| 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 | 34.8 | Very low | 38.2 | Very low | 258 Ų | 258 | 165.7 Ų | 165.7 | 100% | 1.271 | 83% | 0.83 | S | S | * | * | 0 | 143.2 | 0 | -54.9 | 175.2 | -172.5 | 0 | 0 | 107.3 | |||||
| 2 | G | 33.5 | Very low | 38.4 | Very low | 68 Ų | 68 | 171.8 Ų | 171.8 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | cis | 176.1 | 146.5 | -9.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | F | 36.8 | Very low | 38.3 | Very low | 217 Ų | 217 | 167.5 Ų | 167.5 | 95% | 0.952 | 83% | 0.834 | S | S | * | * | trans | 64.7 | 139.5 | 164.3 | -72.1 | -85.9 | 0 | 0 | 0 | 122 | ||||
| 4 | F | 42.7 | Very low | 38.5 | Very low | 186 Ų | 186 | 166.4 Ų | 166.4 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | trans | -86.1 | 151.5 | 166.5 | -85.3 | -122.4 | 0 | 0 | 0 | 110.5 | ||||
| 5 | F | 41 | Very low | 38.8 | Very low | 166 Ų | 166 | 166.3 Ų | 166.3 | 73% | 0.728 | 83% | 0.831 | S | S | * | * | -174 | 164.5 | 97.5 | -115.8 | -94.4 | 0 | 0 | 0 | 114.2 | |||||
| 6 | R | 41.2 | Very low | 39.1 | Very low | 182 Ų | 182 | 162.9 Ų | 162.9 | 69% | 0.687 | 82% | 0.823 | S | S | * | * | trans | -41.8 | 159.9 | -177.3 | -56.1 | 166.9 | 178.2 | 164.3 | -3.2 | 115.7 | ||||
| 7 | F | 33.3 | Very low | 38.5 | Very low | 181 Ų | 181 | 161.4 Ų | 161.4 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | -145.9 | -179.6 | 27.8 | -68.3 | -96.6 | 0 | 0 | 0 | 110.5 | ||||
| 8 | S | 32.4 | Very low | 38.7 | Very low | 93 Ų | 93 | 159.1 Ų | 159.1 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | cis | -154 | 159.8 | -2.7 | -132.9 | 0 | 0 | 0 | 0 | 110.7 | Q10 | S8-Q10 PolarHBondContact O-N 3.23Š| ||
| 9 | P | 44.1 | Very low | 38.8 | Very low | 127 Ų | 127 | 160.8 Ų | 160.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -101.7 | 53 | -165.3 | 40.9 | -37.1 | 0 | 0 | 0 | 115.6 | ||||
| 10 | Q | 40.4 | Very low | 39.2 | Very low | 173 Ų | 173 | 164.6 Ų | 164.6 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -135.1 | 5.5 | -173.7 | -139 | 156.4 | 2.8 | 0 | 0 | 116.9 | S8 | S8-Q10 PolarHBondContact O-N 3.23Š|
| 11 | L | 40.6 | Very low | 39.8 | Very low | 172 Ų | 172 | 162.2 Ų | 162.2 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -126.7 | 46 | 172.8 | -83.7 | 94.9 | 0 | 0 | 0 | 112.8 | ||
| 12 | R | 39.8 | Very low | 41.3 | Very low | 238 Ų | 238 | 153.2 Ų | 153.2 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -137.4 | 23.5 | 168.5 | -78.6 | -163.1 | 174.5 | -152.5 | -1 | 113.8 | ||
| 13 | S | 37.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 157.3 Ų | 157.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -110.7 | 12.1 | 176.3 | -165.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 14 | I | 41.5 | Very low | 43.9 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -132 | 138 | 174.1 | -51.4 | 178.3 | 0 | 0 | 0 | 105.4 | ||
| 15 | I | 42.1 | Very low | 45.2 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 69 | 55.3 | -169.3 | -37.5 | 178.1 | 0 | 0 | 0 | 113.7 | ||
| 16 | T | 44.6 | Very low | 46.8 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | trans | -162.4 | 166.3 | 142.4 | -0.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | M | 28.1 | Very low | 48.2 | Very low | 137 Ų | 137 | 142 Ų | 142 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | trans | 71.4 | 59.3 | -176 | -49.8 | -66.2 | 85.8 | 0 | 0 | 115.6 | Y19 | M17-Y19 VanDerWaalsContact C-N 3.27Å; M17-Y19 HydrophobicContact CB-CD2 4.44Å; M17-Y19 HydrophobicContact CE-CD2 4.39Å; M17-Y19 HydrophobicContact CE-CE2 3.91Å; M17-Y19 PolarHBondContact O-N 3.15Å; M17-Y19 HydrophobicContact SD-CD2 3.84Å; M17-Y19 HydrophobicContact SD-CE2 3.66Å | ||
| 18 | S | 42.2 | Very low | 50.1 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | -78.5 | 83.5 | 148.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 19 | Y | 41.5 | Very low | 52 | Low | 192 Ų | 192 | 136.9 Ų | 136.9 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -103.6 | 112.4 | 162.2 | -85.3 | -79.6 | 0 | 0 | 0 | 107.4 | M17 Q21 | M17-Y19 VanDerWaalsContact C-N 3.27Å; M17-Y19 HydrophobicContact CB-CD2 4.44Å; M17-Y19 HydrophobicContact CE-CD2 4.39Å; M17-Y19 HydrophobicContact CE-CE2 3.91Å; M17-Y19 PolarHBondContact O-N 3.15Å; M17-Y19 HydrophobicContact SD-CD2 3.84Å; M17-Y19 HydrophobicContact SD-CE2 3.66Å; Y19-Q21 PolarHBondContact O-N 3.06Å | ||
| 20 | R | 46.8 | Very low | 52.8 | Low | 235 Ų | 235 | 137.2 Ų | 137.2 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | trans | -69.4 | 114.6 | 164.8 | -70.6 | -174.7 | 178.8 | -167.1 | 0.4 | 107 | T22 | R20-T22 PolarHBondContact O-N 2.98Š| ||
| 21 | Q | 52 | Low | 54.5 | Low | 115 Ų | 115 | 134.3 Ų | 134.3 | 54% | 0.537 | 66% | 0.662 | S | S | . | * | trans | -56.6 | 137.4 | 161.8 | -69.7 | 171.1 | -73.1 | 0 | 0 | 108.1 | Y19 E25 | Y19-Q21 PolarHBondContact O-N 3.06Å; Q21-E25 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 22 | T | 65.1 | Low | 55.8 | Low | 70 Ų | 70 | 132.8 Ų | 132.8 | 43% | 0.429 | 65% | 0.649 | S | S | . | * | trans | -74.5 | 159.9 | 175.2 | 71.4 | 0 | 0 | 0 | 0 | 109.7 | R20 E24 E25 L26 | R20-T22 PolarHBondContact O-N 2.98Å; T22-E24 PolarHBondContact O-N 3.46Å; T22-E25 PolarHBondContact N-OE2 3.1Å; T22-E25 PolarHBondContact O-N 3.09Å; T22-E25 VanDerWaalsContact O-N 3.12Å; T22-E25 PolarHBondContact OG1-N 2.99Å; T22-L26 PolarHBondContact O-N 2.65Å | ||
| 23 | K | 60.4 | Low | 57.1 | Low | 153 Ų | 153 | 128.1 Ų | 128.1 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.7 | -35.1 | 176.5 | -168.2 | -167.6 | 169.6 | -160 | 0 | 111.4 | E25 L26 D27 | K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.42Å; K23-L26 WeakPolarHBondContact O-CB 3.4Å; K23-L26 PolarHBondContact O-N 2.78Å; K23-D27 VanDerWaalsContact CE-OD2 3.25Å; K23-D27 WeakPolarHBondContact CE-OD2 3.33Å; K23-D27 IonicContact NZ-OD2 2.61Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.3Å |
| 24 | E | 65.4 | Low | 58.6 | Low | 154 Ų | 154 | 127.4 Ų | 127.4 | 72% | 0.72 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -31.8 | 179.6 | -61.1 | 169.5 | 160 | 0 | 0 | 112.6 | T22 A28 | T22-E24 PolarHBondContact O-N 3.46Å; E24-A28 WeakPolarHBondContact O-CB 3.48Å; E24-A28 PolarHBondContact O-N 3.48Å |
| 25 | E | 70.6 | Confident | 59.5 | Low | 99 Ų | 99 | 127 Ų | 127 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.2 | -40.4 | 173.5 | -67.4 | 173.7 | 132.6 | 0 | 0 | 111.5 | Q21 T22 K23 A28 E29 | Q21-E25 WeakPolarHBondContact CA-OE2 3.32Å; T22-E25 PolarHBondContact N-OE2 3.1Å; T22-E25 PolarHBondContact O-N 3.09Å; T22-E25 VanDerWaalsContact O-N 3.12Å; T22-E25 PolarHBondContact OG1-N 2.99Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.42Å; E25-A28 PolarHBondContact O-N 2.85Å; E25-E29 PolarHBondContact O-N 2.58Å |
| 26 | L | 73.2 | Confident | 60 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.2 | -46.4 | 173.8 | -95.9 | 154.2 | 0 | 0 | 0 | 112.2 | T22 K23 A28 E29 F30 | T22-L26 PolarHBondContact O-N 2.65Å; K23-L26 WeakPolarHBondContact O-CB 3.4Å; K23-L26 PolarHBondContact O-N 2.78Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 3.37Å; L26-E29 PolarHBondContact O-N 3.25Å; L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.21Å |
| 27 | D | 70.7 | Confident | 60.1 | Low | 82 Ų | 82 | 125.5 Ų | 125.5 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.6 | -32.6 | 176.1 | -69.7 | -22.2 | 0 | 0 | 0 | 110.6 | K23 F30 E31 | K23-D27 VanDerWaalsContact CE-OD2 3.25Å; K23-D27 WeakPolarHBondContact CE-OD2 3.33Å; K23-D27 IonicContact NZ-OD2 2.61Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.3Å; D27-F30 PolarHBondContact O-N 3.02Å; D27-E31 PolarHBondContact O-N 3.29Å |
| 28 | A | 74 | Confident | 60.8 | Low | 52 Ų | 52 | 124.3 Ų | 124.3 | 43% | 0.43 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.5 | -34.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E24 E25 L26 K32 | E24-A28 WeakPolarHBondContact O-CB 3.48Å; E24-A28 PolarHBondContact O-N 3.48Å; E25-A28 PolarHBondContact O-N 2.85Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 3.37Å; A28-K32 PolarHBondContact O-N 2.9Å; A28-K32 VanDerWaalsContact O-N 3.08Å |
| 29 | E | 71.3 | Confident | 60.5 | Low | 115 Ų | 115 | 124 Ų | 124 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68 | -36.4 | 168.6 | -74.3 | -164.7 | 130.9 | 0 | 0 | 111.4 | E25 L26 K32 F33 | E25-E29 PolarHBondContact O-N 2.58Å; L26-E29 PolarHBondContact O-N 3.25Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 2.95Å; E29-F33 PolarHBondContact O-N 3.42Å |
| 30 | F | 61.5 | Low | 60.2 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.7 | -41.7 | 175.2 | -154.7 | -97.3 | 0 | 0 | 0 | 112.1 | L26 D27 K32 F33 L34 | L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.21Å; D27-F30 PolarHBondContact O-N 3.02Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 2.89Å; F30-F33 PolarHBondContact O-N 3.11Å; F30-L34 HydrophobicContact CD1-CD1 3.94Å; F30-L34 HydrophobicContact CD1-CG 4.47Å; F30-L34 HydrophobicContact CE1-CD1 4.03Å; F30-L34 HydrophobicContact CE1-CG 4.48Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 3.42Å; F30-L34 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 75.1 | Confident | 59.4 | Low | 111 Ų | 111 | 118 Ų | 118 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.2 | -38.5 | 170.7 | -96.9 | -143.9 | 166.2 | 0 | 0 | 112.9 | D27 K35 | D27-E31 PolarHBondContact O-N 3.29Å; E31-K35 WeakPolarHBondContact O-CB 3.29Å; E31-K35 WeakPolarHBondContact O-CD 3.08Å; E31-K35 VanDerWaalsContact O-CG 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.34Å; E31-K35 PolarHBondContact O-N 3.29Å; E31-K35 VanDerWaalsContact O-N 3.08Å; E31-K35 IonicContact OE1-NZ 2.74Å; E31-K35 IonicContact OE2-NZ 2.61Å; E31-K35 PolarHBondContact OE2-NZ 3.29Å |
| 32 | K | 68.4 | Low | 58.6 | Low | 141 Ų | 141 | 117.5 Ų | 117.5 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -47.6 | 173.8 | -84.8 | -179.7 | 176 | 175.4 | 0 | 111.5 | A28 E29 F30 L34 K35 E36 | A28-K32 PolarHBondContact O-N 2.9Å; A28-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 2.95Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 2.89Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.21Å; K32-K35 CarbonylContact O-C 3.56Å; K32-K35 WeakPolarHBondContact O-CA 3.25Å; K32-K35 PolarHBondContact O-N 2.78Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 2.85Å |
| 33 | F | 67.9 | Low | 57.2 | Low | 139 Ų | 139 | 120.4 Ų | 120.4 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.1 | -40.1 | 179.6 | -176.4 | -103.5 | 0 | 0 | 0 | 112.3 | E29 F30 S37 | E29-F33 PolarHBondContact O-N 3.42Å; F30-F33 PolarHBondContact O-N 3.11Å; F33-S37 WeakPolarHBondContact O-CB 3.16Å; F33-S37 PolarHBondContact O-N 3.49Å; F33-S37 PolarHBondContact O-OG 2.82Å |
| 34 | L | 68.1 | Low | 55.8 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.4 | -31.9 | 173.6 | -70.1 | 170.7 | 0 | 0 | 0 | 113.4 | F30 K32 | F30-L34 HydrophobicContact CD1-CD1 3.94Å; F30-L34 HydrophobicContact CD1-CG 4.47Å; F30-L34 HydrophobicContact CE1-CD1 4.03Å; F30-L34 HydrophobicContact CE1-CG 4.48Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 3.42Å; F30-L34 VanDerWaalsContact O-N 3.09Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.21Å |
| 35 | K | 60.6 | Low | 54 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -84.4 | -25.9 | 179.4 | -73.7 | 166.5 | -178.3 | 169.5 | 0 | 113.9 | E31 K32 | E31-K35 WeakPolarHBondContact O-CB 3.29Å; E31-K35 WeakPolarHBondContact O-CD 3.08Å; E31-K35 VanDerWaalsContact O-CG 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.34Å; E31-K35 PolarHBondContact O-N 3.29Å; E31-K35 VanDerWaalsContact O-N 3.08Å; E31-K35 IonicContact OE1-NZ 2.74Å; E31-K35 IonicContact OE2-NZ 2.61Å; E31-K35 PolarHBondContact OE2-NZ 3.29Å; K32-K35 CarbonylContact O-C 3.56Å; K32-K35 WeakPolarHBondContact O-CA 3.25Å; K32-K35 PolarHBondContact O-N 2.78Å |
| 36 | E | 52 | Low | 51.8 | Low | 170 Ų | 170 | 120.2 Ų | 120.2 | 79% | 0.794 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86.1 | -12.9 | -179.1 | -165.6 | 159.8 | -166.3 | 0 | 0 | 112.8 | K32 | K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 2.85Å |
| 37 | S | 47.6 | Very low | 49.7 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 54% | 0.538 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -96.2 | 8.3 | -174.9 | -57.5 | 0 | 0 | 0 | 0 | 115.7 | F33 | F33-S37 WeakPolarHBondContact O-CB 3.16Å; F33-S37 PolarHBondContact O-N 3.49Å; F33-S37 PolarHBondContact O-OG 2.82Å |
| 38 | V | 42.4 | Very low | 48.7 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | trans | -134.3 | 86.7 | -173 | -169.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 39 | S | 36.2 | Very low | 46.4 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -167.8 | 100.4 | 148 | -72.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 40 | D | 34 | Very low | 44.4 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | 60.1 | 105 | 68.4 | -162.2 | 24.5 | 0 | 0 | 0 | 111.9 | |||||
| 41 | D | 31.3 | Very low | 42.9 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | -124.6 | 79.8 | -175.9 | -168.9 | 20.5 | 0 | 0 | 0 | 108.9 | ||||
| 42 | S | 35.7 | Very low | 40.7 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | -87.6 | 112.9 | -175.3 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | D44 | S42-D44 PolarHBondContact O-N 3.38Š| ||
| 43 | V | 34.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -90.9 | 93.5 | 179.3 | -76.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 44 | D | 31.4 | Very low | 37.1 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -94.9 | 142.1 | 159.4 | -172 | 17.1 | 0 | 0 | 0 | 110.8 | S42 | S42-D44 PolarHBondContact O-N 3.38Š| ||
| 45 | L | 27.9 | Very low | 35.2 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -133.6 | 83.3 | 176.7 | -78.2 | -180 | 0 | 0 | 0 | 110.8 | ||||
| 46 | S | 25.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -142.4 | 127.5 | 155.1 | -84 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | S | 28.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -171.7 | 162.6 | -179.4 | -89.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 48 | P | 49.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -131.5 | 176.2 | 13 | 42.3 | -28.7 | 0 | 0 | 0 | 114.9 | ||||
| 49 | D | 25.4 | Very low | 30.8 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | -157.8 | 144.6 | 120.8 | -131.5 | -16.4 | 0 | 0 | 0 | 116.1 | |||||
| 50 | K | 30.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 64% | 0.635 | 77% | 0.77 | S | S | * | * | trans | 39.7 | 112.5 | 153.3 | -74.2 | 150.6 | -163.4 | 133.4 | 0 | 124.3 | ||||
| 51 | Q | 29.4 | Very low | 30.2 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 94.6 | 150 | 111.6 | -75 | 179.5 | 5.6 | 0 | 0 | 123.1 | |||||
| 52 | A | 29.6 | Very low | 30.2 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 63.9 | 113.9 | 165 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 53 | K | 29.6 | Very low | 30 | Very low | 191 Ų | 191 | 144 Ų | 144 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | cis | 98.8 | 133.1 | 23.3 | -165.6 | -176.2 | 179.3 | 179.5 | 0 | 113.7 | ||||
| 54 | T | 29.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 78.3 | 162.1 | 179.3 | 74.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 55 | R | 28.3 | Very low | 30 | Very low | 232 Ų | 232 | 144.5 Ų | 144.5 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | -174.3 | 150.1 | -58.8 | -138.8 | -176.9 | 179.5 | -174.3 | -1 | 107.4 | |||||
| 56 | S | 28.3 | Very low | 30 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 161.2 | 167.6 | 81 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 57 | S | 28.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | cis | -176.1 | 148.2 | -32.8 | -94.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | Q | 27.5 | Very low | 30.1 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 147.6 | 165 | -62.1 | 168.5 | -65.5 | 0 | 0 | 115.2 | ||||
| 59 | K | 26.3 | Very low | 29.2 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -159.9 | 171 | 9.9 | -152.3 | 172.6 | 175 | 179.9 | 0 | 110.7 | ||||
| 60 | S | 28.8 | Very low | 29.3 | Very low | 94 Ų | 94 | 153.7 Ų | 153.7 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 57.7 | 95.8 | 153.1 | 50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 61 | S | 29.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | 33.9 | 112.3 | 116.9 | 59.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 62 | Q | 31.1 | Very low | 29.7 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | 43.2 | 136.4 | 128.7 | -72.8 | 172.6 | -32.3 | 0 | 0 | 121.8 | |||||
| 63 | K | 31.9 | Very low | 29.8 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -84.1 | 145 | 178.9 | -48.8 | 167.7 | -176.9 | 174.9 | 0 | 112 | ||||
| 64 | P | 39.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 152 Ų | 152 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -89.1 | 162.7 | 145.5 | 36.8 | -31.7 | 0 | 0 | 0 | 111.1 | ||||
| 65 | I | 25.7 | Very low | 29.8 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | 162.5 | 140.1 | 139.2 | -87 | 160.1 | 0 | 0 | 0 | 109.8 | ||||
| 66 | V | 28.4 | Very low | 29.8 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -142.6 | 156.9 | -177.3 | 171 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 67 | S | 27.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 57.9 | 97.8 | 161.1 | 60.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 68 | W | 26.7 | Very low | 29.9 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -166.8 | 123.7 | 161.1 | -103 | 72.7 | 0 | 0 | 0 | 105.8 | ||||
| 69 | W | 31.9 | Very low | 30 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 75% | 0.746 | 79% | 0.786 | S | S | * | * | cis | -121.9 | 166.3 | -34.2 | -71.8 | 71.7 | 0 | 0 | 0 | 105.5 | ||||
| 70 | Q | 27.7 | Very low | 30.1 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | 86.6 | 152 | 31.1 | -161.1 | 160.8 | 14.3 | 0 | 0 | 115.7 | ||||
| 71 | D | 32.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | -83 | 158 | -153.3 | -42.3 | -67.3 | 0 | 0 | 0 | 117.5 | ||||
| 72 | D | 35.1 | Very low | 30.3 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -173.5 | 126.2 | 110.7 | -101.8 | -12.5 | 0 | 0 | 0 | 114.6 | |||||
| 73 | E | 33.3 | Very low | 31.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | trans | 57.5 | 137.3 | 144.3 | -70.5 | -62.1 | 106.1 | 0 | 0 | 127.3 | ||||
| 74 | N | 28.3 | Very low | 31 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | 57.7 | 109.1 | 151.4 | -78.9 | -52.9 | 0 | 0 | 0 | 123.5 | ||||
| 75 | S | 29.1 | Very low | 30.5 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -161.3 | 147.9 | 112 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 76 | S | 28.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -95.2 | 143.5 | 175.1 | 54 | 0 | 0 | 0 | 0 | 112 | ||||
| 77 | G | 27.7 | Very low | 30.8 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 174.9 | 76.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 78 | E | 30.8 | Very low | 31.3 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | 29.4 | 107.4 | 144 | -162.3 | 156.1 | -129.8 | 0 | 0 | 119.8 | ||||
| 79 | S | 29.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -113.6 | 102.4 | 178.1 | 165.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 80 | S | 29 | Very low | 31.6 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -92.1 | 128.5 | 172.6 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 81 | K | 31.6 | Very low | 31.8 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -151.5 | 108.2 | 172.4 | -74.3 | -161.1 | 176.6 | -176.8 | 0 | 115.7 | ||||
| 82 | T | 31.9 | Very low | 32.4 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -162.4 | 176.4 | 155.8 | 50.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 83 | P | 47 | Very low | 32.6 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | cis | -82.9 | -154.5 | -21.9 | -9.8 | 31.4 | 0 | 0 | 0 | 111.6 | ||||
| 84 | G | 29.6 | Very low | 33.6 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | cis | 119.8 | 102.5 | -16.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 85 | G | 29.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 142 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 86 | N | 30 | Very low | 36.1 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | cis | -135.7 | 167.8 | 29.5 | -84.7 | -20.3 | 0 | 0 | 0 | 110.5 | ||||
| 87 | M | 30.5 | Very low | 37.8 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 77% | 0.768 | 77% | 0.771 | S | S | * | * | cis | -159.2 | 170.1 | 10.6 | -126.2 | -76.8 | -80 | 0 | 0 | 110.5 | ||||
| 88 | S | 38 | Very low | 39.3 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 62.2 | 108.3 | 165.1 | -66 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 89 | A | 28.8 | Very low | 41.1 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | trans | -150.2 | 160.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 90 | M | 35.7 | Very low | 42.7 | Very low | 195 Ų | 195 | 125.9 Ų | 125.9 | 96% | 0.961 | 73% | 0.733 | S | S | * | * | trans | -100.2 | 156 | 179.8 | -66 | 156.5 | 56.6 | 0 | 0 | 111.4 | ||||
| 91 | G | 31.3 | Very low | 44.6 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 122.7 | 124.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D93 | G91-D93 WeakPolarHBondContact CA-OD2 3.32Š| ||
| 92 | L | 45.6 | Very low | 46.6 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 94% | 0.942 | 70% | 0.703 | S | S | * | * | trans | -125.9 | 62.8 | 169.2 | -93.6 | 171.7 | 0 | 0 | 0 | 107.7 | ||||
| 93 | D | 39.4 | Very low | 48.6 | Very low | 132 Ų | 132 | 120 Ų | 120 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -150.4 | 131 | -165.4 | -43.1 | -96.3 | 0 | 0 | 0 | 107.2 | G91 | G91-D93 WeakPolarHBondContact CA-OD2 3.32Š| ||
| 94 | T | 54.2 | Low | 49.5 | Very low | 68 Ų | 68 | 120 Ų | 120 | 42% | 0.417 | 68% | 0.676 | S | S | . | * | cis | -151.5 | 121.1 | -5.6 | -17.2 | 0 | 0 | 0 | 0 | 110.1 | E97 | T94-E97 WeakPolarHBondContact O-CB 3.44Å; T94-E97 PolarHBondContact O-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 2.73Å | ||
| 95 | L | 53.5 | Low | 51 | Low | 150 Ų | 150 | 121.8 Ų | 121.8 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.1 | -30.6 | 177.1 | -95.7 | 171.3 | 0 | 0 | 0 | 113.3 | E97 E98 E99 | L95-E97 PolarHBondContact O-N 3.12Å; L95-E98 PolarHBondContact O-N 3.46Å; L95-E99 PolarHBondContact O-N 2.94Å |
| 96 | E | 55.9 | Low | 53.1 | Low | 147 Ų | 147 | 120.7 Ų | 120.7 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.4 | -31.5 | 175.6 | -168.6 | 164 | -157.4 | 0 | 0 | 111.5 | E99 E100 | E96-E99 PolarHBondContact O-N 3.3Å; E96-E100 WeakPolarHBondContact O-CG 3.35Å; E96-E100 PolarHBondContact O-N 2.79Å |
| 97 | E | 64.1 | Low | 54.8 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 48% | 0.481 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.5 | -27.9 | 179.3 | -172.5 | -177.9 | 172.1 | 0 | 0 | 113 | T94 L95 K101 | T94-E97 WeakPolarHBondContact O-CB 3.44Å; T94-E97 PolarHBondContact O-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 2.73Å; L95-E97 PolarHBondContact O-N 3.12Å; E97-K101 WeakPolarHBondContact O-CB 3.19Å; E97-K101 PolarHBondContact O-N 2.77Å |
| 98 | E | 59.5 | Low | 56.3 | Low | 131 Ų | 131 | 116.6 Ų | 116.6 | 61% | 0.612 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.9 | -37.1 | 170 | -70.1 | -158.1 | 128 | 0 | 0 | 111.9 | L95 K101 A102 | L95-E98 PolarHBondContact O-N 3.46Å; E98-K101 WeakPolarHBondContact O-CB 3.11Å; E98-K101 PolarHBondContact O-N 2.86Å; E98-A102 WeakPolarHBondContact O-CB 3.36Å; E98-A102 PolarHBondContact O-N 3.49Å |
| 99 | E | 67.9 | Low | 57.4 | Low | 105 Ų | 105 | 118.2 Ų | 118.2 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.9 | -37.4 | 174.7 | -143.6 | -156 | 151.1 | 0 | 0 | 111.8 | L95 E96 A102 R103 | L95-E99 PolarHBondContact O-N 2.94Å; E96-E99 PolarHBondContact O-N 3.3Å; E99-A102 PolarHBondContact O-N 3.28Å; E99-R103 WeakPolarHBondContact O-CB 3.49Å; E99-R103 WeakPolarHBondContact O-CD 3.37Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.41Å; E99-R103 PolarHBondContact O-N 2.79Å; E99-R103 IonicContact OE1-CZ 2.64Å; E99-R103 VanDerWaalsContact OE1-CZ 3.24Å; E99-R103 IonicContact OE1-NE 2.91Å; E99-R103 PolarHBondContact OE1-NE 2.84Å; E99-R103 VanDerWaalsContact OE1-NE 3.15Å; E99-R103 IonicContact OE1-NH2 3.88Å; E99-R103 PolarHBondContact OE1-NH2 3.34Å; E99-R103 IonicContact OE2-CZ 2.64Å; E99-R103 IonicContact OE2-NH2 3.9Å; E99-R103 PolarHBondContact OE2-NH2 2.86Å |
| 100 | E | 63.5 | Low | 58.8 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.8 | -38.3 | 170.7 | -70.6 | -152.9 | 142.4 | 0 | 0 | 112.3 | E96 R103 F104 | E96-E100 WeakPolarHBondContact O-CG 3.35Å; E96-E100 PolarHBondContact O-N 2.79Å; E100-R103 PolarHBondContact O-N 2.82Å; E100-F104 VanDerWaalsContact O-CB 3.26Å; E100-F104 WeakPolarHBondContact O-CB 3.25Å; E100-F104 PolarHBondContact O-N 2.87Å |
| 101 | K | 69.5 | Low | 59.3 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.6 | -48.7 | 169.5 | -103.3 | 173.9 | 179.6 | 157.2 | 0 | 112.2 | E97 E98 R103 F104 F105 | E97-K101 WeakPolarHBondContact O-CB 3.19Å; E97-K101 PolarHBondContact O-N 2.77Å; E98-K101 WeakPolarHBondContact O-CB 3.11Å; E98-K101 PolarHBondContact O-N 2.86Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 2.73Å; K101-F104 WeakPolarHBondContact O-CB 3.45Å; K101-F104 PolarHBondContact O-N 3.14Å; K101-F104 VanDerWaalsContact O-N 3.15Å; K101-F105 HydrophobicContact CG-CE2 4.26Å; K101-F105 WeakPolarHBondContact O-CD2 3.31Å; K101-F105 PolarHBondContact O-N 3.2Å |
| 102 | A | 74.1 | Confident | 59.9 | Low | 59 Ų | 59 | 112.2 Ų | 112.2 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.1 | -43.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | E98 E99 A106 | E98-A102 WeakPolarHBondContact O-CB 3.36Å; E98-A102 PolarHBondContact O-N 3.49Å; E99-A102 PolarHBondContact O-N 3.28Å; A102-A106 WeakPolarHBondContact O-CB 3.39Å; A102-A106 PolarHBondContact O-N 3.36Å |
| 103 | R | 72.6 | Confident | 59.9 | Low | 141 Ų | 141 | 108.2 Ų | 108.2 | 53% | 0.532 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -38.8 | 174.2 | -67.3 | 165.5 | -176.6 | 179.7 | 2.2 | 112.2 | E99 E100 K101 Q107 | E99-R103 WeakPolarHBondContact O-CB 3.49Å; E99-R103 WeakPolarHBondContact O-CD 3.37Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.41Å; E99-R103 PolarHBondContact O-N 2.79Å; E99-R103 IonicContact OE1-CZ 2.64Å; E99-R103 VanDerWaalsContact OE1-CZ 3.24Å; E99-R103 IonicContact OE1-NE 2.91Å; E99-R103 PolarHBondContact OE1-NE 2.84Å; E99-R103 VanDerWaalsContact OE1-NE 3.15Å; E99-R103 IonicContact OE1-NH2 3.88Å; E99-R103 PolarHBondContact OE1-NH2 3.34Å; E99-R103 IonicContact OE2-CZ 2.64Å; E99-R103 IonicContact OE2-NH2 3.9Å; E99-R103 PolarHBondContact OE2-NH2 2.86Å; E100-R103 PolarHBondContact O-N 2.82Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 2.73Å; R103-Q107 WeakPolarHBondContact O-CB 3.4Å; R103-Q107 PolarHBondContact O-N 2.84Å |
| 104 | F | 66.9 | Low | 60.1 | Low | 128 Ų | 128 | 106.3 Ų | 106.3 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.5 | -45.7 | 177.3 | -178.5 | -97.7 | 0 | 0 | 0 | 112.5 | E100 K101 Q107 I108 | E100-F104 VanDerWaalsContact O-CB 3.26Å; E100-F104 WeakPolarHBondContact O-CB 3.25Å; E100-F104 PolarHBondContact O-N 2.87Å; K101-F104 WeakPolarHBondContact O-CB 3.45Å; K101-F104 PolarHBondContact O-N 3.14Å; K101-F104 VanDerWaalsContact O-N 3.15Å; F104-Q107 PolarHBondContact O-N 3.44Å; F104-I108 HydrophobicContact CD1-CD1 4.03Å; F104-I108 HydrophobicContact CE1-CD1 3.47Å; F104-I108 VanDerWaalsContact CE1-CD1 3.47Å; F104-I108 HydrophobicContact CE1-CG1 4.46Å; F104-I108 HydrophobicContact CZ-CD1 3.88Å; F104-I108 PolarHBondContact O-N 3.49Å |
| 105 | F | 61.3 | Low | 59.9 | Low | 120 Ų | 120 | 107.8 Ų | 107.8 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.8 | -43.8 | 176.1 | -74.7 | -64.7 | 0 | 0 | 0 | 112.1 | K101 Q107 I108 E109 | K101-F105 HydrophobicContact CG-CE2 4.26Å; K101-F105 WeakPolarHBondContact O-CD2 3.31Å; K101-F105 PolarHBondContact O-N 3.2Å; F105-Q107 PolarHBondContact O-N 3.42Å; F105-I108 PolarHBondContact O-N 2.87Å; F105-E109 PolarHBondContact O-N 3.45Å |
| 106 | A | 73.1 | Confident | 60 | Low | 52 Ų | 52 | 106.2 Ų | 106.2 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58 | -33.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | A102 A110 | A102-A106 WeakPolarHBondContact O-CB 3.39Å; A102-A106 PolarHBondContact O-N 3.36Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.27Å; A106-A110 PolarHBondContact O-N 3.08Å |
| 107 | Q | 64.6 | Low | 59.6 | Low | 153 Ų | 153 | 104.1 Ų | 104.1 | 72% | 0.715 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.5 | -25.2 | 175.6 | -170.9 | 151 | 13.3 | 0 | 0 | 113.6 | R103 F104 F105 G111 | R103-Q107 WeakPolarHBondContact O-CB 3.4Å; R103-Q107 PolarHBondContact O-N 2.84Å; F104-Q107 PolarHBondContact O-N 3.44Å; F105-Q107 PolarHBondContact O-N 3.42Å; Q107-G111 PolarHBondContact O-N 2.81Å; Q107-G111 VanDerWaalsContact O-N 3.07Å |
| 108 | I | 62.8 | Low | 59 | Low | 79 Ų | 79 | 106.8 Ų | 106.8 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.3 | -44.5 | 168 | -73.4 | 177.1 | 0 | 0 | 0 | 110.5 | F104 F105 G111 T112 | F104-I108 HydrophobicContact CD1-CD1 4.03Å; F104-I108 HydrophobicContact CE1-CD1 3.47Å; F104-I108 VanDerWaalsContact CE1-CD1 3.47Å; F104-I108 HydrophobicContact CE1-CG1 4.46Å; F104-I108 HydrophobicContact CZ-CD1 3.88Å; F104-I108 PolarHBondContact O-N 3.49Å; F105-I108 PolarHBondContact O-N 2.87Å; I108-G111 CarbonylContact O-C 3.55Å; I108-G111 WeakPolarHBondContact O-CA 3.1Å; I108-G111 PolarHBondContact O-N 3.45Å; I108-G111 VanDerWaalsContact O-N 3.1Å; I108-T112 HydrophobicContact CG2-CG2 4.38Å; I108-T112 WeakPolarHBondContact O-CB 3.35Å; I108-T112 WeakPolarHBondContact O-CG2 3.36Å; I108-T112 PolarHBondContact O-N 3.48Å; I108-T112 PolarHBondContact O-OG1 2.84Å |
| 109 | E | 61.2 | Low | 59.3 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -46.8 | 177.8 | -68.4 | 179.7 | 159.2 | 0 | 0 | 111.6 | F105 G111 T112 S113 | F105-E109 PolarHBondContact O-N 3.45Å; E109-G111 PolarHBondContact O-N 2.92Å; E109-T112 WeakPolarHBondContact CA-OG1 3.25Å; E109-T112 PolarHBondContact O-N 3.22Å; E109-T112 PolarHBondContact O-OG1 2.87Å; E109-S113 PolarHBondContact O-N 3.48Å; E109-S113 VanDerWaalsContact O-N 3.12Å; E109-S113 PolarHBondContact O-OG 3.25Å |
| 110 | A | 57.2 | Low | 58.7 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -24.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A106 | A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.27Å; A106-A110 PolarHBondContact O-N 3.08Å |
| 111 | G | 46.5 | Very low | 58.2 | Low | 58 Ų | 58 | 103.4 Ų | 103.4 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -84.4 | -18.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q107 I108 E109 | Q107-G111 PolarHBondContact O-N 2.81Å; Q107-G111 VanDerWaalsContact O-N 3.07Å; I108-G111 CarbonylContact O-C 3.55Å; I108-G111 WeakPolarHBondContact O-CA 3.1Å; I108-G111 PolarHBondContact O-N 3.45Å; I108-G111 VanDerWaalsContact O-N 3.1Å; E109-G111 PolarHBondContact O-N 2.92Å |
| 112 | T | 45.3 | Very low | 57.6 | Low | 103 Ų | 103 | 102.5 Ų | 102.5 | 63% | 0.632 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -107 | -15.3 | -174.7 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | I108 E109 S114 | I108-T112 HydrophobicContact CG2-CG2 4.38Å; I108-T112 WeakPolarHBondContact O-CB 3.35Å; I108-T112 WeakPolarHBondContact O-CG2 3.36Å; I108-T112 PolarHBondContact O-N 3.48Å; I108-T112 PolarHBondContact O-OG1 2.84Å; E109-T112 WeakPolarHBondContact CA-OG1 3.25Å; E109-T112 PolarHBondContact O-N 3.22Å; E109-T112 PolarHBondContact O-OG1 2.87Å; T112-S114 PolarHBondContact O-N 2.85Å |
| 113 | S | 44 | Very low | 57.1 | Low | 95 Ų | 95 | 108.5 Ų | 108.5 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | trans | -72.7 | 18.8 | 174.1 | 54 | 0 | 0 | 0 | 0 | 115.2 | E109 A115 | E109-S113 PolarHBondContact O-N 3.48Å; E109-S113 VanDerWaalsContact O-N 3.12Å; E109-S113 PolarHBondContact O-OG 3.25Å; S113-A115 PolarHBondContact O-N 3.35Å | ||
| 114 | S | 44.9 | Very low | 56 | Low | 93 Ų | 93 | 106.1 Ų | 106.1 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -88.4 | 96.6 | 166.2 | 174 | 0 | 0 | 0 | 0 | 109.4 | T112 I116 | T112-S114 PolarHBondContact O-N 2.85Å; S114-I116 PolarHBondContact O-N 2.82Å |
| 115 | A | 49 | Very low | 55.2 | Low | 99 Ų | 99 | 105.4 Ų | 105.4 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -50.9 | 120.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S113 D117 | S113-A115 PolarHBondContact O-N 3.35Å; A115-D117 PolarHBondContact O-N 3.33Å | ||
| 116 | I | 55.3 | Low | 54.6 | Low | 116 Ų | 116 | 106.3 Ų | 106.3 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | trans | -78.1 | 112.3 | 179.3 | -63.5 | 174.3 | 0 | 0 | 0 | 108.5 | S114 Y118 | S114-I116 PolarHBondContact O-N 2.82Å; I116-Y118 HydrophobicContact CB-CE2 4.38Å; I116-Y118 HydrophobicContact CG2-CD1 4.47Å; I116-Y118 HydrophobicContact CG2-CE1 4.26Å; I116-Y118 HydrophobicContact CG2-CE2 4.43Å; I116-Y118 WeakPolarHBondContact O-CD2 3.34Å; I116-Y118 WeakPolarHBondContact O-CE2 3.28Å; I116-Y118 PolarHBondContact O-N 2.88Å; I116-Y118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | D | 48.6 | Very low | 53.5 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | trans | -77.5 | 92.5 | 174.7 | -178.3 | 2.1 | 0 | 0 | 0 | 110.8 | A115 S119 K120 | A115-D117 PolarHBondContact O-N 3.33Å; D117-S119 VanDerWaalsContact CG-OG 3.26Å; D117-S119 PolarHBondContact O-N 2.93Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 VanDerWaalsContact OD1-CB 3.24Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 2.69Å; D117-S119 PolarHBondContact OD1-OG 2.75Å; D117-S119 PolarHBondContact OD2-OG 3.28Å; D117-K120 WeakPolarHBondContact O-CB 3.27Å; D117-K120 PolarHBondContact O-N 3.2Å; D117-K120 VanDerWaalsContact O-N 3.12Å | ||
| 118 | Y | 52.1 | Low | 52.5 | Low | 159 Ų | 159 | 105.5 Ų | 105.5 | 62% | 0.624 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.9 | -21.7 | 177.8 | -65.1 | -83 | 0 | 0 | 0 | 113.8 | I116 K120 L121 N122 | I116-Y118 HydrophobicContact CB-CE2 4.38Å; I116-Y118 HydrophobicContact CG2-CD1 4.47Å; I116-Y118 HydrophobicContact CG2-CE1 4.26Å; I116-Y118 HydrophobicContact CG2-CE2 4.43Å; I116-Y118 WeakPolarHBondContact O-CD2 3.34Å; I116-Y118 WeakPolarHBondContact O-CE2 3.28Å; I116-Y118 PolarHBondContact O-N 2.88Å; I116-Y118 VanDerWaalsContact O-N 3.09Å; Y118-K120 PolarHBondContact O-N 2.83Å; Y118-L121 PolarHBondContact O-N 3.18Å; Y118-N122 PolarHBondContact O-N 2.82Å; Y118-N122 VanDerWaalsContact O-N 3.14Å |
| 119 | S | 65.1 | Low | 51.4 | Low | 80 Ų | 80 | 113 Ų | 113 | 56% | 0.559 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.9 | -31.8 | 176.7 | 78.6 | 0 | 0 | 0 | 0 | 112 | D117 R123 | D117-S119 VanDerWaalsContact CG-OG 3.26Å; D117-S119 PolarHBondContact O-N 2.93Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 VanDerWaalsContact OD1-CB 3.24Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 2.69Å; D117-S119 PolarHBondContact OD1-OG 2.75Å; D117-S119 PolarHBondContact OD2-OG 3.28Å; S119-R123 PolarHBondContact O-N 2.75Å |
| 120 | K | 55.8 | Low | 50.4 | Low | 121 Ų | 121 | 112 Ų | 112 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.5 | -40.6 | 175.7 | -165 | -178.1 | -178.5 | -105.7 | 0 | 112 | D117 Y118 R123 E124 | D117-K120 WeakPolarHBondContact O-CB 3.27Å; D117-K120 PolarHBondContact O-N 3.2Å; D117-K120 VanDerWaalsContact O-N 3.12Å; Y118-K120 PolarHBondContact O-N 2.83Å; K120-R123 PolarHBondContact O-N 3.24Å; K120-E124 WeakPolarHBondContact CE-OE1 3.39Å; K120-E124 IonicContact NZ-OE1 2.63Å; K120-E124 PolarHBondContact NZ-OE1 3.45Å; K120-E124 PolarHBondContact O-N 2.85Å |
| 121 | L | 52.8 | Low | 49.1 | Very low | 88 Ų | 88 | 114.5 Ų | 114.5 | 46% | 0.461 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.1 | -40.7 | -177.3 | -164.2 | 70.7 | 0 | 0 | 0 | 112 | Y118 R123 E124 L125 | Y118-L121 PolarHBondContact O-N 3.18Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.46Å; L121-E124 PolarHBondContact O-N 2.8Å; L121-L125 PolarHBondContact O-N 2.67Å |
| 122 | N | 55.9 | Low | 48.4 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 172.9 | -74 | 4.5 | 0 | 0 | 0 | 111.3 | Y118 E124 L125 D126 | Y118-N122 PolarHBondContact O-N 2.82Å; Y118-N122 VanDerWaalsContact O-N 3.14Å; N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 2.84Å; N122-L125 WeakPolarHBondContact O-CB 3.47Å; N122-L125 PolarHBondContact O-N 3.08Å; N122-L125 VanDerWaalsContact O-N 3.16Å; N122-D126 PolarHBondContact O-N 3.45Å |
| 123 | R | 64.6 | Low | 47.7 | Very low | 184 Ų | 184 | 121.7 Ų | 121.7 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.5 | -30 | 178.6 | -149.2 | -175.3 | 80.7 | 174.2 | 6.9 | 113.3 | S119 K120 L121 S127 | S119-R123 PolarHBondContact O-N 2.75Å; K120-R123 PolarHBondContact O-N 3.24Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.46Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.16Å; R123-S127 PolarHBondContact O-OG 3.22Å |
| 124 | E | 48.7 | Very low | 47 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 43% | 0.425 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -77.2 | -32.8 | 174.2 | -72 | 173.2 | -170.1 | 0 | 0 | 111.8 | K120 L121 N122 S128 | K120-E124 WeakPolarHBondContact CE-OE1 3.39Å; K120-E124 IonicContact NZ-OE1 2.63Å; K120-E124 PolarHBondContact NZ-OE1 3.45Å; K120-E124 PolarHBondContact O-N 2.85Å; L121-E124 PolarHBondContact O-N 2.8Å; N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 2.84Å; E124-S128 WeakPolarHBondContact O-CB 3.42Å; E124-S128 PolarHBondContact O-N 2.89Å; E124-S128 PolarHBondContact O-OG 3.13Å |
| 125 | L | 50.2 | Low | 46.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 59% | 0.592 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.8 | -48.5 | 171.5 | -83.4 | 163.1 | 0 | 0 | 0 | 112.8 | L121 N122 S127 S128 | L121-L125 PolarHBondContact O-N 2.67Å; N122-L125 WeakPolarHBondContact O-CB 3.47Å; N122-L125 PolarHBondContact O-N 3.08Å; N122-L125 VanDerWaalsContact O-N 3.16Å; L125-S127 PolarHBondContact O-N 2.89Å; L125-S128 PolarHBondContact O-N 3.1Å |
| 126 | D | 48.9 | Very low | 45.5 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -62.1 | -31 | 176.9 | -70.1 | -32 | 0 | 0 | 0 | 111.9 | N122 S128 | N122-D126 PolarHBondContact O-N 3.45Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 2.97Å |
| 127 | S | 50.7 | Low | 44.3 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -12 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 114.1 | R123 L125 | R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.16Å; R123-S127 PolarHBondContact O-OG 3.22Å; L125-S127 PolarHBondContact O-N 2.89Å |
| 128 | S | 42.7 | Very low | 43.5 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 4.7 | -169.1 | -64.3 | 0 | 0 | 0 | 0 | 115 | E124 L125 D126 | E124-S128 WeakPolarHBondContact O-CB 3.42Å; E124-S128 PolarHBondContact O-N 2.89Å; E124-S128 PolarHBondContact O-OG 3.13Å; L125-S128 PolarHBondContact O-N 3.1Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 2.97Å |
| 129 | R | 40.3 | Very low | 42.5 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -116.1 | 41.1 | -176.1 | -154.9 | -172.5 | 174.3 | 179.5 | -2.4 | 114.7 | ||
| 130 | S | 39.3 | Very low | 40.9 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -153.4 | 57.1 | 173.3 | -168.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 131 | T | 30.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -147.2 | 85.2 | 163.4 | 51 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 132 | F | 31.7 | Very low | 39 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 97% | 0.974 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -171.5 | 63.7 | 147.8 | -109.5 | -63.1 | 0 | 0 | 0 | 112.1 | ||
| 133 | A | 29.8 | Very low | 37.7 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -153.5 | 139.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 134 | T | 30.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 61.9 | 77.6 | 163.4 | -33.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 135 | E | 28.8 | Very low | 35 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -83.1 | 103.9 | 153.4 | 178.5 | 176.8 | -150.4 | 0 | 0 | 109.4 | ||||
| 136 | L | 32.5 | Very low | 35 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -164.6 | 121.6 | 164.7 | -115.3 | 166.4 | 0 | 0 | 0 | 113.4 | ||||
| 137 | R | 29.8 | Very low | 33.9 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 130.5 | 170.6 | -72.6 | -172.8 | 178 | -177.2 | -0.4 | 119.4 | ||||
| 138 | K | 31.9 | Very low | 32.7 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 158.6 | 152.9 | -54.4 | 168.5 | -178 | 175.6 | 0 | 108.3 | ||||
| 139 | E | 31 | Very low | 31.8 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | -173 | 144.4 | 99.7 | -68.9 | -132.8 | 125.4 | 0 | 0 | 109.7 | |||||
| 140 | D | 31.6 | Very low | 31.2 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 45.1 | 160 | 157.6 | -62.9 | 2.1 | 0 | 0 | 0 | 123.9 | ||||
| 141 | G | 27.7 | Very low | 30.5 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -133.7 | -151.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 142 | P | 42.3 | Very low | 30.4 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | cis | -136.2 | 169.5 | -0.8 | 42.2 | -26.2 | 0 | 0 | 0 | 116.3 | ||||
| 143 | A | 27 | Very low | 30.3 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 72 | 166.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 144 | V | 31 | Very low | 30.4 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | 91.9 | 135.5 | 166.1 | -171.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 145 | E | 26.6 | Very low | 30.3 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -104.3 | 178.4 | 176.6 | -97.4 | -165.2 | -139.7 | 0 | 0 | 110.6 | ||||
| 146 | P | 50.3 | Low | 30.4 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | -135.8 | -171.8 | -36 | 37.7 | -20.6 | 0 | 0 | 0 | 112.2 | ||||
| 147 | S | 25.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 76.3 | 127.1 | 148.7 | -158.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 148 | A | 25.5 | Very low | 30.2 | Very low | 87 Ų | 87 | 124.7 Ų | 124.7 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | 54.6 | 128.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 149 | A | 24.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | 65.6 | 154.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 150 | A | 26.3 | Very low | 29.8 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | -165.8 | 167.9 | -25.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 151 | E | 25.9 | Very low | 29.4 | Very low | 196 Ų | 196 | 119.6 Ų | 119.6 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 65.4 | 157.8 | 165.4 | -78.5 | -178.6 | -162.1 | 0 | 0 | 116.8 | ||||
| 152 | A | 29.2 | Very low | 29.3 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | cis | -159.1 | 156.6 | -10.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 153 | V | 29.6 | Very low | 29.5 | Very low | 151 Ų | 151 | 122 Ų | 122 | 92% | 0.915 | 78% | 0.781 | S | S | * | * | trans | 61.8 | 133.2 | 152 | 172 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 154 | G | 29.9 | Very low | 29.4 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | 167 | -177.8 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 155 | E | 29.1 | Very low | 29 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | 65.7 | 135.8 | 169.4 | -58.9 | -174.1 | 162.5 | 0 | 0 | 118 | ||||
| 156 | S | 31.1 | Very low | 29 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | cis | -161.3 | 153.2 | -13 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 157 | S | 29.5 | Very low | 27.9 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 152.2 | 136.9 | 143.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 158 | A | 28.6 | Very low | 28 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 52 | 117 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 159 | Y | 26.4 | Very low | 28.2 | Very low | 233 Ų | 233 | 133.8 Ų | 133.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -147.2 | 163.5 | -177.3 | -151.1 | -94.7 | 0 | 0 | 0 | 113.1 | ||||
| 160 | S | 27.3 | Very low | 28.7 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 87.8 | 139.5 | 165.1 | -134.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 161 | G | 23.4 | Very low | 28.9 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | -163.4 | -168.4 | 9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 162 | N | 26 | Very low | 29.2 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -104.9 | -150.5 | -175.2 | -157.4 | 19.4 | 0 | 0 | 0 | 109.5 | ||||
| 163 | P | 46.9 | Very low | 29.3 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 57% | 0.565 | 78% | 0.784 | S | S | * | * | -123.3 | -169.7 | -120.2 | 38.8 | -20 | 0 | 0 | 0 | 116.2 | |||||
| 164 | Q | 24.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | 97.4 | 127.1 | 158.7 | -63.7 | 171.9 | -92.5 | 0 | 0 | 120.4 | ||||
| 165 | N | 22.7 | Very low | 29.3 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | 8.6 | 116.1 | 151.9 | -50.9 | 2.7 | 0 | 0 | 0 | 122 | ||||
| 166 | S | 25.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | -162.1 | 150 | 126.4 | 67.5 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 167 | E | 27 | Very low | 29.3 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | 51.3 | 128.2 | 65.1 | -63.3 | 174 | 150.6 | 0 | 0 | 111 | |||||
| 168 | E | 27.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | cis | -166.3 | 149.7 | 48.7 | -172.8 | 175.5 | -162.3 | 0 | 0 | 113.2 | ||||
| 169 | F | 29.7 | Very low | 29.1 | Very low | 169 Ų | 169 | 128 Ų | 128 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | trans | 57.6 | 160.3 | 154.5 | -86.5 | -127.9 | 0 | 0 | 0 | 122.7 | ||||
| 170 | E | 35 | Very low | 29.4 | Very low | 150 Ų | 150 | 123 Ų | 123 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | cis | -165.1 | -159.2 | -39.5 | -136.6 | 177.2 | -141.2 | 0 | 0 | 111 | ||||
| 171 | D | 31.8 | Very low | 29.6 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | 66.6 | 140 | -176.4 | -74.8 | -12.8 | 0 | 0 | 0 | 117.8 | ||||
| 172 | E | 31.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | cis | -143.2 | 165 | -6 | -123.3 | -88.4 | -134.5 | 0 | 0 | 109.1 | ||||
| 173 | G | 31.1 | Very low | 29.6 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | trans | -87.8 | 176.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 174 | G | 28.3 | Very low | 29 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | cis | 162.2 | -175.1 | -3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 175 | I | 32 | Very low | 29.1 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 34% | 0.338 | 70% | 0.704 | S | S | . | * | trans | 65.9 | 104.4 | 166.7 | -69.7 | 175 | 0 | 0 | 0 | 114.9 | Q1177 V1180 | I175-Q1177 HydrophobicContact CD1-CG 4.03Å; I175-Q1177 HydrophobicContact CG1-CB 4.45Å; I175-Q1177 HydrophobicContact CG1-CG 4.09Å; I175-Q1177 HydrophobicContact CG2-CG 4.18Å; I175-V1180 HydrophobicContact CD1-CB 3.89Å; I175-V1180 HydrophobicContact CD1-CG1 3.55Å | ||
| 176 | K | 31.8 | Very low | 29.5 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 30% | 0.296 | 70% | 0.698 | S | S | . | * | 64.5 | 135.8 | 73.3 | -65.3 | -115.8 | -64.3 | 163.4 | 0 | 112.7 | T1173 | K176-T1173 VanDerWaalsContact CE-C 3.44Å; K176-T1173 WeakPolarHBondContact CE-O 3.33Å; K176-T1173 WeakPolarHBondContact CE-OG1 3.14Å; K176-T1173 PolarHBondContact NZ-O 2.72Å; K176-T1173 PolarHBondContact NZ-OG1 3.43Å | |||
| 177 | E | 28.6 | Very low | 30.3 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 47% | 0.467 | 70% | 0.701 | S | S | . | * | cis | -162.9 | 164.6 | -1.8 | -132.9 | 168.6 | -161.3 | 0 | 0 | 106.3 | ||||
| 178 | S | 28.7 | Very low | 30.4 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -146.1 | 142.4 | 15.4 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 179 | Q | 23.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | trans | 51.2 | 70.3 | 134 | -56.5 | 176.8 | 17.4 | 0 | 0 | 119.7 | ||||
| 180 | T | 33.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -132.3 | 121 | 134.9 | 38.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 181 | K | 29.7 | Very low | 30.1 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | trans | 170.7 | 156.3 | 167.9 | -96.4 | 143.8 | -169.4 | 177.1 | 0 | 110.1 | ||||
| 182 | N | 26.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | cis | -169.3 | 157.8 | -36.7 | -114.9 | 0.5 | 0 | 0 | 0 | 110.7 | ||||
| 183 | S | 24.7 | Very low | 29.8 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | trans | 40.6 | 122.1 | 147.2 | 66.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 184 | K | 34 | Very low | 29.9 | Very low | 196 Ų | 196 | 128.4 Ų | 128.4 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | 52 | 127.1 | 126.8 | -56.8 | 175.9 | 179.6 | 179.2 | 0 | 119.5 | |||||
| 185 | L | 26 | Very low | 29.9 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | -174.5 | 154 | 103.9 | -96.7 | 167.3 | 0 | 0 | 0 | 112.7 | |||||
| 186 | S | 30.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -99.7 | 176.9 | 168.5 | -49.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 187 | P | 43.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -144.9 | 165.9 | 12.7 | 42.9 | -23 | 0 | 0 | 0 | 119.5 | ||||
| 188 | A | 29.8 | Very low | 30.2 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | 27.5 | 132.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 189 | L | 28.5 | Very low | 30.9 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | -154.9 | 149.3 | 127.4 | -145.2 | 75.5 | 0 | 0 | 0 | 114.8 | |||||
| 190 | A | 28.8 | Very low | 32.1 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | 65.1 | 89.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 191 | R | 28.8 | Very low | 33.2 | Very low | 258 Ų | 258 | 136.6 Ų | 136.6 | 97% | 0.974 | 79% | 0.792 | S | S | * | * | 36.6 | 122.4 | 127.2 | -76.2 | -179.5 | 168.9 | 172.7 | -3 | 121.5 | |||||
| 192 | G | 25.2 | Very low | 34.1 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -157.7 | 143.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 193 | Q | 31.6 | Very low | 35.5 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -85.5 | 163.8 | 178.4 | -70.7 | 171.4 | -19.2 | 0 | 0 | 111.3 | ||||
| 194 | L | 33.4 | Very low | 37 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | -164.8 | 145.4 | -13 | -107.9 | 166.6 | 0 | 0 | 0 | 109.7 | ||||
| 195 | Y | 28.9 | Very low | 38.4 | Very low | 219 Ų | 219 | 128.6 Ų | 128.6 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | 53 | 98.4 | 133.4 | -150.5 | -93.9 | 0 | 0 | 0 | 121.9 | ||||
| 196 | A | 29.3 | Very low | 40 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | -179.1 | 144.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 197 | Q | 33.1 | Very low | 40.9 | Very low | 188 Ų | 188 | 127 Ų | 127 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 64.2 | 142.4 | 173.1 | -56.5 | 173 | -3 | 0 | 0 | 114.1 | ||||
| 198 | S | 34.7 | Very low | 41.6 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | cis | -134.9 | 156.1 | 21.9 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 199 | G | 43.5 | Very low | 42.9 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -116.6 | 113.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 200 | G | 50.3 | Low | 43.7 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | 142 | 96 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 201 | S | 55.9 | Low | 45.1 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 45% | 0.448 | 69% | 0.693 | S | S | . | * | trans | -157.7 | 37.4 | 169.1 | -157.7 | 0 | 0 | 0 | 0 | 113.9 | E204 A205 | S201-E204 WeakPolarHBondContact OG-CB 3.41Å; S201-E204 PolarHBondContact OG-OE2 2.9Å; S201-A205 WeakPolarHBondContact O-CB 3.44Å; S201-A205 PolarHBondContact O-N 3.02Å | ||
| 202 | D | 49.8 | Very low | 45.9 | Very low | 150 Ų | 150 | 121.2 Ų | 121.2 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.2 | -36.7 | 169.5 | -69.5 | -22.2 | 0 | 0 | 0 | 111.7 | L206 | D202-L206 PolarHBondContact O-N 3.34Å |
| 203 | V | 54.5 | Low | 46.7 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.4 | -37.5 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | L206 Q207 | V203-L206 PolarHBondContact O-N 3.07Å; V203-Q207 WeakPolarHBondContact O-CB 3.27Å; V203-Q207 PolarHBondContact O-N 3.45Å |
| 204 | E | 56.3 | Low | 47 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 58% | 0.575 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.6 | -45.5 | 178.8 | -126.6 | 174.8 | 178.7 | 0 | 0 | 111.1 | S201 L206 Q207 E208 | S201-E204 WeakPolarHBondContact OG-CB 3.41Å; S201-E204 PolarHBondContact OG-OE2 2.9Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.43Å; E204-Q207 CarbonylContact O-C 3.59Å; E204-Q207 PolarHBondContact O-N 3.02Å; E204-Q207 VanDerWaalsContact O-N 3.09Å; E204-E208 WeakPolarHBondContact O-CB 3.16Å; E204-E208 PolarHBondContact O-N 2.92Å |
| 205 | A | 65.2 | Low | 47.1 | Very low | 59 Ų | 59 | 119.4 Ų | 119.4 | 49% | 0.488 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -56.6 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S201 A209 | S201-A205 WeakPolarHBondContact O-CB 3.44Å; S201-A205 PolarHBondContact O-N 3.02Å; A205-A209 WeakPolarHBondContact O-CB 3.3Å; A205-A209 PolarHBondContact O-N 3.47Å |
| 206 | L | 59.6 | Low | 47.3 | Very low | 126 Ų | 126 | 116.2 Ų | 116.2 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.2 | -37.7 | 176.4 | -153.4 | 78.3 | 0 | 0 | 0 | 112.4 | D202 V203 E204 Y210 | D202-L206 PolarHBondContact O-N 3.34Å; V203-L206 PolarHBondContact O-N 3.07Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.43Å; L206-Y210 PolarHBondContact O-N 3.33Å; L206-Y210 VanDerWaalsContact O-N 3.13Å |
| 207 | Q | 48.3 | Very low | 47.4 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.9 | -31.7 | 177.5 | -167.3 | 171 | 13.7 | 0 | 0 | 112.4 | V203 E204 R211 | V203-Q207 WeakPolarHBondContact O-CB 3.27Å; V203-Q207 PolarHBondContact O-N 3.45Å; E204-Q207 CarbonylContact O-C 3.59Å; E204-Q207 PolarHBondContact O-N 3.02Å; E204-Q207 VanDerWaalsContact O-N 3.09Å; Q207-R211 PolarHBondContact O-N 2.89Å |
| 208 | E | 57.5 | Low | 47.1 | Very low | 96 Ų | 96 | 116 Ų | 116 | 45% | 0.449 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -70 | -44.7 | 173.5 | -174.4 | 125 | -98.1 | 0 | 0 | 111.4 | E204 Y210 R211 Q212 | E204-E208 WeakPolarHBondContact O-CB 3.16Å; E204-E208 PolarHBondContact O-N 2.92Å; E208-Y210 VanDerWaalsContact C-N 3.29Å; E208-Y210 PolarHBondContact O-N 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 PolarHBondContact O-N 2.91Å; E208-R211 VanDerWaalsContact O-N 3.1Å; E208-R211 IonicContact OE1-CZ 2.7Å; E208-R211 IonicContact OE1-NE 2.64Å; E208-R211 IonicContact OE1-NH2 3.3Å; E208-R211 PolarHBondContact OE1-NH2 3.42Å; E208-Q212 PolarHBondContact O-N 2.98Å |
| 209 | A | 58.4 | Low | 46.8 | Very low | 42 Ų | 42 | 115.7 Ų | 115.7 | 35% | 0.347 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -58.1 | -40.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | A205 R211 Q212 | A205-A209 WeakPolarHBondContact O-CB 3.3Å; A205-A209 PolarHBondContact O-N 3.47Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 3.09Å; A209-Q212 PolarHBondContact O-N 3.32Å; A209-Q212 VanDerWaalsContact O-N 3.11Å |
| 210 | Y | 45.8 | Very low | 46.1 | Very low | 159 Ų | 159 | 119 Ų | 119 | 62% | 0.624 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.2 | -26.2 | 176.7 | -117.1 | -86.7 | 0 | 0 | 0 | 114 | L206 E208 | L206-Y210 PolarHBondContact O-N 3.33Å; L206-Y210 VanDerWaalsContact O-N 3.13Å; E208-Y210 VanDerWaalsContact C-N 3.29Å; E208-Y210 PolarHBondContact O-N 3.48Å |
| 211 | R | 56.6 | Low | 45 | Very low | 156 Ų | 156 | 118.3 Ų | 118.3 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.4 | -32.4 | 172.1 | -71 | -168.8 | -71 | -114.6 | 5.8 | 112.5 | Q207 E208 A209 I213 | Q207-R211 PolarHBondContact O-N 2.89Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 PolarHBondContact O-N 2.91Å; E208-R211 VanDerWaalsContact O-N 3.1Å; E208-R211 IonicContact OE1-CZ 2.7Å; E208-R211 IonicContact OE1-NE 2.64Å; E208-R211 IonicContact OE1-NH2 3.3Å; E208-R211 PolarHBondContact OE1-NH2 3.42Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 3.09Å; R211-I213 VanDerWaalsContact C-N 3.32Å; R211-I213 PolarHBondContact O-N 3.06Å |
| 212 | Q | 46.4 | Very low | 43.7 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 73% | 0.729 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.3 | -14.7 | -174.3 | -67.6 | 177.1 | -1.3 | 0 | 0 | 113.9 | E208 A209 | E208-Q212 PolarHBondContact O-N 2.98Å; A209-Q212 PolarHBondContact O-N 3.32Å; A209-Q212 VanDerWaalsContact O-N 3.11Å |
| 213 | I | 42.3 | Very low | 42.6 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -15.6 | -173.9 | -65.7 | 169.4 | 0 | 0 | 0 | 113 | R211 | R211-I213 VanDerWaalsContact C-N 3.32Å; R211-I213 PolarHBondContact O-N 3.06Å |
| 214 | H | 37.4 | Very low | 41.2 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -114.3 | 50 | -174.6 | -74 | -50.3 | 0 | 0 | 0 | 113.9 | ||
| 215 | S | 36 | Very low | 39.8 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -153.1 | 80.5 | 171.9 | -76.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 216 | V | 33.3 | Very low | 38.8 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 92% | 0.915 | 69% | 0.693 | S | S | * | * | 168 | 119.2 | 127.2 | 156.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 217 | E | 30.9 | Very low | 37.2 | Very low | 202 Ų | 202 | 131 Ų | 131 | 94% | 0.944 | 70% | 0.697 | S | S | * | * | trans | -150.8 | 125.7 | 176 | -170.8 | 171.5 | -139.2 | 0 | 0 | 109.8 | ||||
| 218 | G | 26.8 | Very low | 36.4 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | 112.7 | 112 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 219 | C | 28.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 136 Ų | 136 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | 57.8 | 150 | 144.5 | -67.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 220 | D | 27.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | cis | -151.5 | 158.8 | -14.8 | -88.4 | -28.3 | 0 | 0 | 0 | 104.1 | ||||
| 221 | G | 27.6 | Very low | 32.8 | Very low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | cis | 122 | 134.9 | 43.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 222 | H | 28.2 | Very low | 31.6 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | 93.8 | 84.9 | 167.4 | -49.5 | -61.7 | 0 | 0 | 0 | 123 | ||||
| 223 | R | 27.1 | Very low | 30.8 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | 73.5 | 100.3 | 101.5 | -157.4 | 173.9 | -157.3 | -129.4 | 2.5 | 122.5 | |||||
| 224 | C | 24.7 | Very low | 30 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 64% | 0.635 | 78% | 0.778 | S | S | * | * | 92.5 | 122.6 | 125.3 | -75.4 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 225 | L | 27 | Very low | 29.5 | Very low | 154 Ų | 154 | 145 Ų | 145 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | 77.5 | 163.6 | 125.3 | -64.8 | 173.5 | 0 | 0 | 0 | 120.9 | |||||
| 226 | P | 44.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | cis | -141.2 | -141.9 | -48.1 | 39.7 | -18.8 | 0 | 0 | 0 | 113.6 | ||||
| 227 | L | 26.5 | Very low | 29.9 | Very low | 142 Ų | 142 | 144 Ų | 144 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 81.7 | 140 | 174 | -85.7 | 64.7 | 0 | 0 | 0 | 117.4 | ||||
| 228 | E | 31 | Very low | 29.9 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -143.4 | 178.3 | -24.2 | -65.2 | -152.9 | 122.5 | 0 | 0 | 107.2 | ||||
| 229 | D | 27.3 | Very low | 31 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | cis | -168.1 | 169 | 41.5 | -172.1 | 15.9 | 0 | 0 | 0 | 112.2 | ||||
| 230 | E | 31.1 | Very low | 30.8 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -105.6 | 156.7 | 180 | -75.7 | -160.2 | 109.5 | 0 | 0 | 114.4 | ||||
| 231 | G | 28.5 | Very low | 30.6 | Very low | 82 Ų | 82 | 143 Ų | 143 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -163.7 | 123.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 232 | R | 32.2 | Very low | 31.8 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -107.3 | 153.8 | -168.9 | -78.6 | 175.4 | 155 | -112.3 | 1.8 | 115.6 | ||||
| 233 | T | 28.3 | Very low | 31.8 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | 65.1 | 150.5 | 148.9 | 43.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 234 | D | 26.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -153.8 | -157.3 | 26.6 | -137.6 | -40.1 | 0 | 0 | 0 | 114.8 | ||||
| 235 | R | 26.6 | Very low | 32.4 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | -124.2 | -156.9 | -159.7 | -151 | -164.2 | 168 | -176.8 | -3.1 | 116.5 | ||||
| 236 | P | 52.2 | Low | 32.7 | Very low | 97 Ų | 97 | 142 Ų | 142 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | -111.8 | -177.5 | -113.3 | 39.4 | -22.7 | 0 | 0 | 0 | 118.6 | |||||
| 237 | V | 25.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 144 Ų | 144 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 162.7 | 155 | 130.8 | 158.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 238 | S | 29.5 | Very low | 32.3 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -85.2 | -152.7 | -177.7 | -32.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 239 | P | 50.5 | Low | 32.4 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | cis | -141 | -172 | -4.6 | 44.5 | -25.9 | 0 | 0 | 0 | 116.7 | ||||
| 240 | S | 24.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 176.7 | 159.3 | 128.4 | 43.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 241 | L | 24.1 | Very low | 33.4 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -140 | -165.1 | 171.3 | -130.7 | 84.5 | 0 | 0 | 0 | 106 | ||||
| 242 | P | 51.5 | Low | 33.5 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | cis | -136.5 | -173.8 | -10.4 | 38.8 | -18.8 | 0 | 0 | 0 | 115.1 | ||||
| 243 | Q | 29.4 | Very low | 33.5 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | 174.5 | 168.8 | 120.8 | -90.6 | -173.2 | 7.5 | 0 | 0 | 114.6 | |||||
| 244 | H | 32.7 | Very low | 33.6 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | trans | -111.5 | -175.7 | -163.2 | -72.9 | -100.7 | 0 | 0 | 0 | 114.4 | Q247 | H244-Q247 PolarHBondContact ND1-OE1 3.25Š| ||
| 245 | A | 31.1 | Very low | 34.1 | Very low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | cis | -154.1 | -173.1 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 246 | Q | 32.4 | Very low | 34.3 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | cis | -146 | 164.6 | 7.3 | -58.6 | 178.4 | 5.3 | 0 | 0 | 109.2 | ||||
| 247 | Q | 37.1 | Very low | 33.5 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | cis | 111.9 | 59.3 | -1.6 | -60.1 | 166.6 | -116.1 | 0 | 0 | 119.8 | H244 | H244-Q247 PolarHBondContact ND1-OE1 3.25Š| ||
| 248 | T | 26.5 | Very low | 34 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -132.3 | 106 | 163.7 | -60.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 249 | L | 33.1 | Very low | 34.7 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 30.8 | 149.7 | 141.2 | -45.4 | 179.5 | 0 | 0 | 0 | 122.4 | ||||
| 250 | Q | 32.8 | Very low | 34.4 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | cis | -179.2 | 172.6 | -7.3 | -97.5 | -88.1 | -14.4 | 0 | 0 | 106.7 | ||||
| 251 | P | 45.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | -134.1 | -165.3 | -1.2 | 43.3 | -23.6 | 0 | 0 | 0 | 117 | ||||
| 252 | F | 32.3 | Very low | 36.3 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -56.1 | 154.2 | -176.9 | -100.7 | -118.9 | 0 | 0 | 0 | 120.6 | ||||
| 253 | S | 31 | Very low | 35.8 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | 176.5 | 134.2 | 101.5 | -162.2 | 0 | 0 | 0 | 0 | 117 | |||||
| 254 | T | 31.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | 52.7 | 165.3 | 146.6 | 49.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 255 | S | 36 | Very low | 36.6 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -132.7 | 173.9 | -164.9 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 256 | D | 31.8 | Very low | 36.9 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 89.5 | 151.5 | 152.4 | -57.4 | -52.9 | 0 | 0 | 0 | 122.9 | ||||
| 257 | S | 35.3 | Very low | 37.3 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 80.9 | 98.7 | 169.2 | 62.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 258 | D | 35.9 | Very low | 37.5 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | 47.1 | 115.4 | 124.4 | -54.5 | -30.9 | 0 | 0 | 0 | 123.6 | |||||
| 259 | L | 42.9 | Very low | 37.7 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 15.2 | 141.5 | 137.7 | -61.4 | 173.5 | 0 | 0 | 0 | 120.4 | ||||
| 260 | P | 44.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -134.2 | 169.4 | 97.9 | 39.4 | -32.1 | 0 | 0 | 0 | 116.9 | |||||
| 261 | T | 41.8 | Very low | 37.7 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -50.6 | 153.9 | -177.9 | -52.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 262 | A | 46.5 | Very low | 37.1 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 129.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 263 | E | 41.5 | Very low | 37.2 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -148.6 | -8.7 | 152.2 | -136.4 | 172.1 | -168.4 | 0 | 0 | 115.2 | ||||
| 264 | E | 37.3 | Very low | 37.3 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -102.2 | 4.4 | -166.4 | -77.3 | -162.6 | 131 | 0 | 0 | 118.5 | M266 | E264-M266 VanDerWaalsContact C-N 3.27Å; E264-M266 PolarHBondContact O-N 3.35Å | ||
| 265 | L | 42 | Very low | 37.3 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -78 | 3.4 | -178.3 | -75.8 | 178.3 | 0 | 0 | 0 | 115.8 | ||
| 266 | M | 37.8 | Very low | 37.1 | Very low | 160 Ų | 160 | 156.9 Ų | 156.9 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -141.6 | 63.4 | -165.6 | -85.2 | -76.6 | -79.7 | 0 | 0 | 115.8 | E264 | E264-M266 VanDerWaalsContact C-N 3.27Å; E264-M266 PolarHBondContact O-N 3.35Å |
| 267 | R | 39.8 | Very low | 36.9 | Very low | 239 Ų | 239 | 152.8 Ų | 152.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -176.5 | 169.4 | 139.8 | -104.8 | 169.1 | -69.5 | 176.9 | 2.5 | 114 | ||||
| 268 | P | 41.7 | Very low | 36.4 | Very low | 120 Ų | 120 | 156.5 Ų | 156.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | -122.2 | -177 | -122.5 | 41.6 | -25.4 | 0 | 0 | 0 | 115.4 | |||||
| 269 | I | 31.6 | Very low | 36.1 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -78.4 | 124.3 | -173.6 | -62.1 | 175 | 0 | 0 | 0 | 112.6 | ||||
| 270 | R | 31.6 | Very low | 35.4 | Very low | 198 Ų | 198 | 154.6 Ų | 154.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | 60.8 | 125.2 | 161.7 | -73.3 | -171.3 | -176.2 | 101 | 4.2 | 119.9 | E272 | R270-E272 IonicContact NE-OE1 2.66Š| ||
| 271 | A | 32.4 | Very low | 35.6 | Very low | 95 Ų | 95 | 153.4 Ų | 153.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | -151 | 151.1 | 92.4 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 272 | E | 33.5 | Very low | 35 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 64% | 0.64 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 148 | -177.5 | -67.8 | 78 | 177.2 | 0 | 0 | 112.9 | R270 | R270-E272 IonicContact NE-OE1 2.66Š| ||
| 273 | D | 34.9 | Very low | 34.3 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | -179.8 | 172.9 | 98.2 | -126.7 | -43 | 0 | 0 | 0 | 115 | |||||
| 274 | H | 32.6 | Very low | 34.2 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -79.8 | 152.3 | -165.3 | -59 | 73.2 | 0 | 0 | 0 | 116.8 | ||||
| 275 | I | 31.3 | Very low | 34 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | -179.8 | 131 | 109.7 | -89.2 | 158.5 | 0 | 0 | 0 | 115.2 | |||||
| 276 | R | 32 | Very low | 33.6 | Very low | 226 Ų | 226 | 146.4 Ų | 146.4 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -52 | 149.1 | 170.6 | 163.3 | -161.7 | -62 | -115.5 | -2.1 | 117.5 | ||||
| 277 | G | 27.2 | Very low | 33.1 | Very low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | 178.5 | 98.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 278 | F | 24.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 43.1 | 124.5 | 151.3 | -59.7 | -81.8 | 0 | 0 | 0 | 121.4 | ||||
| 279 | T | 29.4 | Very low | 32 | Very low | 121 Ų | 121 | 149 Ų | 149 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | cis | 103.5 | 139.2 | 14.8 | -47.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 280 | L | 28.7 | Very low | 33 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | 107.7 | 151.6 | 163.1 | -58.9 | 176.6 | 0 | 0 | 0 | 117.7 | ||||
| 281 | P | 50 | Low | 32.7 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -148.5 | 172.5 | -47.8 | 42.6 | -25.8 | 0 | 0 | 0 | 117.5 | ||||
| 282 | V | 27.3 | Very low | 32.3 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 68.6 | 138.8 | 140.5 | 154.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 283 | S | 33.5 | Very low | 32.2 | Very low | 87 Ų | 87 | 151 Ų | 151 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | cis | -176.7 | 176.2 | -0.6 | -99 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 284 | Q | 37.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | 173.7 | 137.1 | -21.6 | 173.8 | 178.5 | -19 | 0 | 0 | 112.2 | ||||
| 285 | E | 34.3 | Very low | 32.3 | Very low | 143 Ų | 143 | 147 Ų | 147 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | 62.6 | 168.3 | 157.3 | -73.7 | -176.3 | 107.4 | 0 | 0 | 122 | ||||
| 286 | L | 34.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 147 Ų | 147 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | cis | -173.6 | 164.8 | -47.1 | -110.4 | -176.8 | 0 | 0 | 0 | 111 | ||||
| 287 | R | 27.1 | Very low | 32.2 | Very low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | 105.4 | 168.9 | 159.7 | -56.9 | -166.6 | -179.2 | 162.4 | 4.9 | 120.5 | ||||
| 288 | M | 27.4 | Very low | 32.3 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -136.8 | 154.1 | -155.4 | -40.5 | -169.6 | -64 | 0 | 0 | 116.2 | ||||
| 289 | F | 29.9 | Very low | 32.5 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | trans | 56.3 | 167.6 | 149.7 | -68.9 | -53.8 | 0 | 0 | 0 | 120.3 | ||||
| 290 | P | 52.6 | Low | 32.3 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -133.3 | 167.6 | -14.3 | 38.5 | -20.8 | 0 | 0 | 0 | 117.4 | ||||
| 291 | R | 24.9 | Very low | 32.4 | Very low | 242 Ų | 242 | 147.9 Ų | 147.9 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | 29.9 | 113.5 | 137.7 | -170.2 | -167.5 | -166.1 | 179.2 | 6.4 | 122.4 | ||||
| 292 | V | 25.1 | Very low | 31.9 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -149.5 | 150.4 | 146.9 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 293 | T | 30.2 | Very low | 31.8 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -129.8 | 152.5 | 166.6 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 294 | P | 38.5 | Very low | 31.6 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -150.8 | 170.8 | 107 | 39.2 | -22.2 | 0 | 0 | 0 | 116.9 | |||||
| 295 | S | 32.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 1.4 | 166.7 | 153.1 | -39.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 296 | E | 30.4 | Very low | 30.7 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | cis | -164.5 | 171.9 | 24.4 | -154.4 | 161.3 | -134.7 | 0 | 0 | 114.8 | ||||
| 297 | L | 29.9 | Very low | 30.4 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 76.9 | 144.7 | 162.8 | -53.2 | 175.2 | 0 | 0 | 0 | 120.5 | ||||
| 298 | D | 29.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -166.4 | 176.4 | -34.2 | -163.9 | 12.6 | 0 | 0 | 0 | 110.6 | ||||
| 299 | L | 28.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | trans | 94.4 | 85.1 | 152.9 | -64 | 162.1 | 0 | 0 | 0 | 121.1 | ||||
| 300 | K | 25.8 | Very low | 30.1 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | 77.5 | 110.3 | 123.1 | -72.8 | 176.2 | -175 | 167.2 | 0 | 122.8 | |||||
| 301 | Q | 31.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -65.1 | 176.6 | 137.6 | -72.5 | -172.3 | 8.7 | 0 | 0 | 111.5 | ||||
| 302 | P | 39.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | cis | -144.5 | -173.6 | 21.8 | 44.1 | -23.7 | 0 | 0 | 0 | 117.5 | ||||
| 303 | G | 25.7 | Very low | 30.5 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 177.6 | 144.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 304 | Q | 28.9 | Very low | 30.5 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -155.3 | 157 | -173.8 | -74.3 | -166.1 | 13.9 | 0 | 0 | 111.5 | ||||
| 305 | S | 27 | Very low | 30.9 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | cis | -169.6 | -139.1 | -20.4 | 63 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 306 | Y | 25.3 | Very low | 30.8 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | 78.6 | 124.2 | 165.4 | -51.7 | -68.3 | 0 | 0 | 0 | 121.6 | ||||
| 307 | S | 27.5 | Very low | 31.4 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 73.9 | 95.2 | 134.4 | -62.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 308 | R | 26.2 | Very low | 31.8 | Very low | 224 Ų | 224 | 137.2 Ų | 137.2 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | 70 | 139.3 | 109.3 | -154.1 | -163 | -80.5 | -167.3 | -6.3 | 121.2 | |||||
| 309 | T | 25.5 | Very low | 32.3 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | trans | 99.7 | 130.1 | 144.7 | -3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 310 | T | 26.5 | Very low | 33.1 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | 66.6 | 110.6 | 152.7 | 30.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 311 | E | 24.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | 50.2 | 164.2 | 125 | -64.7 | -160.9 | 139.6 | 0 | 0 | 122.8 | |||||
| 312 | P | 43.1 | Very low | 34.9 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | -131.7 | -141.8 | -58.5 | 43.1 | -24.9 | 0 | 0 | 0 | 107.9 | |||||
| 313 | P | 44.1 | Very low | 35.4 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | cis | -122.1 | 173.4 | -36.3 | 39.9 | -26.2 | 0 | 0 | 0 | 113.8 | ||||
| 314 | N | 31.2 | Very low | 36.5 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | 30 | 128.5 | 147.3 | -72.7 | -51.7 | 0 | 0 | 0 | 123.7 | ||||
| 315 | L | 45.9 | Very low | 37.7 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 83% | 0.827 | 65% | 0.651 | S | S | * | * | trans | 48.8 | 115.2 | 131.7 | -61.9 | 164.8 | 0 | 0 | 0 | 120 | ||||
| 316 | D | 31.8 | Very low | 38.5 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 55% | 0.551 | 65% | 0.648 | S | S | * | * | -163.5 | 81.8 | 118.5 | -147.7 | -13.4 | 0 | 0 | 0 | 115.5 | T318 S319 | D316-T318 PolarHBondContact O-N 3.3Å; D316-T318 WeakPolarHBondContact OD1-CB 3.33Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.35Å; D316-T318 PolarHBondContact OD1-N 3.32Å; D316-T318 PolarHBondContact OD1-OG1 3.5Å; D316-S319 PolarHBondContact O-OG 3.02Å | |||
| 317 | L | 41.3 | Very low | 39.8 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -8.6 | 174.8 | -160.4 | 65.3 | 0 | 0 | 0 | 113 | S319 | L317-S319 VanDerWaalsContact C-N 3.25Å; L317-S319 PolarHBondContact O-N 3.17Å |
| 318 | T | 39.8 | Very low | 40.8 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -18.2 | 178.9 | 75 | 0 | 0 | 0 | 0 | 113.1 | D316 S320 | D316-T318 PolarHBondContact O-N 3.3Å; D316-T318 WeakPolarHBondContact OD1-CB 3.33Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.35Å; D316-T318 PolarHBondContact OD1-N 3.32Å; D316-T318 PolarHBondContact OD1-OG1 3.5Å; T318-S320 PolarHBondContact O-N 3Å |
| 319 | S | 39.8 | Very low | 41.7 | Very low | 52 Ų | 52 | 120 Ų | 120 | 36% | 0.364 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.9 | -21.9 | -171.5 | 65.8 | 0 | 0 | 0 | 0 | 115.1 | D316 L317 K323 | D316-S319 PolarHBondContact O-OG 3.02Å; L317-S319 VanDerWaalsContact C-N 3.25Å; L317-S319 PolarHBondContact O-N 3.17Å; S319-K323 WeakPolarHBondContact O-CG 3.47Å; S319-K323 PolarHBondContact O-N 3.11Å |
| 320 | S | 44.5 | Very low | 42.6 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 49% | 0.49 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -74.5 | -51.7 | 180 | -157.6 | 0 | 0 | 0 | 0 | 111.9 | T318 K322 K323 D324 | T318-S320 PolarHBondContact O-N 3Å; S320-K322 PolarHBondContact O-N 3.42Å; S320-K323 PolarHBondContact O-N 3.28Å; S320-D324 PolarHBondContact O-N 3.22Å |
| 321 | I | 48.2 | Very low | 43.3 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.6 | -39.3 | -179.3 | -60.2 | 174.7 | 0 | 0 | 0 | 110.2 | K323 D324 V325 | I321-K323 PolarHBondContact O-N 2.86Å; I321-D324 PolarHBondContact O-N 3.34Å; I321-V325 HydrophobicContact CG2-CG2 4.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 3.38Å |
| 322 | K | 47.2 | Very low | 44 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 67% | 0.665 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.4 | -38.6 | 178.3 | -156.6 | 174.3 | -174.8 | -178.7 | 0 | 112.7 | S320 E326 | S320-K322 PolarHBondContact O-N 3.42Å; K322-E326 WeakPolarHBondContact O-CB 3.27Å; K322-E326 PolarHBondContact O-N 2.77Å |
| 323 | K | 48.9 | Very low | 43.7 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 60% | 0.6 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.9 | -37.4 | 176.6 | -77.2 | 170.1 | -179.5 | 170 | 0 | 112.8 | S319 S320 I321 R327 | S319-K323 WeakPolarHBondContact O-CG 3.47Å; S319-K323 PolarHBondContact O-N 3.11Å; S320-K323 PolarHBondContact O-N 3.28Å; I321-K323 PolarHBondContact O-N 2.86Å; K323-R327 WeakPolarHBondContact O-CB 3.45Å; K323-R327 PolarHBondContact O-N 3.11Å |
| 324 | D | 50 | Low | 43.1 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -79 | -32.6 | 179.9 | -66.2 | -41.9 | 0 | 0 | 0 | 112.8 | S320 I321 R327 L328 | S320-D324 PolarHBondContact O-N 3.22Å; I321-D324 PolarHBondContact O-N 3.34Å; D324-R327 IonicContact OD1-CZ 3.95Å; D324-R327 IonicContact OD1-NE 3.64Å; D324-R327 PolarHBondContact OD1-NE 3.35Å; D324-R327 IonicContact OD1-NH2 2.6Å; D324-R327 PolarHBondContact OD1-NH2 2.89Å; D324-L328 PolarHBondContact O-N 3.31Å; D324-L328 VanDerWaalsContact O-N 3.13Å |
| 325 | V | 54 | Low | 42.9 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 46% | 0.461 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.7 | -41.7 | 167.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | I321 L328 M329 | I321-V325 HydrophobicContact CG2-CG2 4.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 3.38Å; V325-L328 PolarHBondContact O-N 3.22Å; V325-M329 HydrophobicContact CG1-SD 4.21Å; V325-M329 WeakPolarHBondContact O-CG 3.37Å; V325-M329 PolarHBondContact O-N 3.45Å |
| 326 | E | 43.2 | Very low | 42 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.3 | -33.9 | 178.4 | -173.2 | 158.6 | -156.1 | 0 | 0 | 112.3 | K322 M329 Q330 | K322-E326 WeakPolarHBondContact O-CB 3.27Å; K322-E326 PolarHBondContact O-N 2.77Å; E326-M329 PolarHBondContact O-N 3.4Å; E326-Q330 WeakPolarHBondContact O-CG 3.49Å; E326-Q330 PolarHBondContact O-N 3.3Å |
| 327 | R | 53.7 | Low | 42.9 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.4 | -47.7 | 169.8 | -160.3 | -165.1 | -49.1 | -121.8 | 9.5 | 111.5 | K323 D324 M329 Q330 | K323-R327 WeakPolarHBondContact O-CB 3.45Å; K323-R327 PolarHBondContact O-N 3.11Å; D324-R327 IonicContact OD1-CZ 3.95Å; D324-R327 IonicContact OD1-NE 3.64Å; D324-R327 PolarHBondContact OD1-NE 3.35Å; D324-R327 IonicContact OD1-NH2 2.6Å; D324-R327 PolarHBondContact OD1-NH2 2.89Å; R327-M329 PolarHBondContact O-N 2.9Å; R327-Q330 PolarHBondContact O-N 3.35Å |
| 328 | L | 47.9 | Very low | 42.2 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.3 | -31.7 | 177.3 | -92.4 | 156.6 | 0 | 0 | 0 | 113.5 | D324 V325 Q330 | D324-L328 PolarHBondContact O-N 3.31Å; D324-L328 VanDerWaalsContact O-N 3.13Å; V325-L328 PolarHBondContact O-N 3.22Å; L328-Q330 VanDerWaalsContact C-N 3.34Å |
| 329 | M | 45.2 | Very low | 41.5 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 71% | 0.714 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.7 | -15.8 | 176.5 | -77.3 | -177.3 | 60.3 | 0 | 0 | 114.2 | V325 E326 R327 | V325-M329 HydrophobicContact CG1-SD 4.21Å; V325-M329 WeakPolarHBondContact O-CG 3.37Å; V325-M329 PolarHBondContact O-N 3.45Å; E326-M329 PolarHBondContact O-N 3.4Å; R327-M329 PolarHBondContact O-N 2.9Å |
| 330 | Q | 43.8 | Very low | 41.1 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -89.2 | -12.4 | -176.8 | -76.4 | 177.6 | 9.6 | 0 | 0 | 114.7 | E326 R327 L328 | E326-Q330 WeakPolarHBondContact O-CG 3.49Å; E326-Q330 PolarHBondContact O-N 3.3Å; R327-Q330 PolarHBondContact O-N 3.35Å; L328-Q330 VanDerWaalsContact C-N 3.34Å |
| 331 | E | 40.5 | Very low | 40.4 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5.5 | 177.8 | -66.6 | -164.3 | 142.9 | 0 | 0 | 114.9 | ||
| 332 | Q | 40.7 | Very low | 39.5 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 12.9 | -174.7 | -104.4 | -164.4 | 30.4 | 0 | 0 | 116.7 | ||
| 333 | N | 35.6 | Very low | 38.6 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -152.7 | 140.4 | 172.2 | -132.7 | -42.1 | 0 | 0 | 0 | 114.4 | ||||
| 334 | K | 31.5 | Very low | 37.6 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | 88.2 | 130.9 | -169.2 | -60.5 | 171.2 | -176 | 172.9 | 0 | 114.3 | ||||
| 335 | H | 27.4 | Very low | 36.6 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | cis | -150.3 | 146.7 | -0.1 | -101.5 | -62 | 0 | 0 | 0 | 112.5 | ||||
| 336 | F | 27.8 | Very low | 35.4 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -88.8 | 165.4 | 145.3 | -95.7 | -77.9 | 0 | 0 | 0 | 108.6 | ||||
| 337 | P | 49 | Very low | 34.7 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | cis | -134.4 | 179.1 | -13.2 | 42.3 | -26.9 | 0 | 0 | 0 | 115 | ||||
| 338 | Q | 28.4 | Very low | 33.7 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 65.1 | 153.3 | 155.2 | -70 | 158.1 | -13.1 | 0 | 0 | 117.7 | ||||
| 339 | T | 25.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | cis | -147.6 | 174.7 | 13.2 | -26.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 340 | L | 30.1 | Very low | 32.2 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -34.2 | 154.9 | 167.2 | -62.5 | 161.2 | 0 | 0 | 0 | 116 | ||||
| 341 | S | 30 | Very low | 31.4 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | -167.2 | -155.5 | -3.2 | 44.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 342 | L | 30.1 | Very low | 30.8 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -169.4 | 146.7 | 10.8 | -173.6 | 59.4 | 0 | 0 | 0 | 111.1 | ||||
| 343 | V | 27.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 47.8 | 138.1 | 159.5 | 169.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 344 | G | 27.6 | Very low | 29.9 | Very low | 65 Ų | 65 | 144.1 Ų | 144.1 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 164.9 | 174.4 | -6.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 345 | N | 29.4 | Very low | 30 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 79.1 | 106.3 | 157.6 | -70.7 | -14.7 | 0 | 0 | 0 | 125.8 | ||||
| 346 | T | 28.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | 99.4 | 124.3 | 123.2 | 60.8 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 347 | K | 29.6 | Very low | 30 | Very low | 184 Ų | 184 | 135 Ų | 135 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 93.3 | 112.5 | 134.6 | -80.4 | 169.2 | -179.2 | 167.6 | 0 | 124.7 | ||||
| 348 | K | 32.7 | Very low | 28.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 84.4 | 124.5 | 134.4 | -73.9 | -176.6 | 172.5 | -178.7 | 0 | 123.1 | ||||
| 349 | K | 29.2 | Very low | 29.4 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 43 | 130 | 144.4 | -63.2 | -169.9 | 173.2 | -169.1 | 0 | 118.5 | ||||
| 350 | T | 32.1 | Very low | 29.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | cis | -157.6 | 170.4 | 45.1 | 46.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 351 | T | 26.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | 44.1 | 100 | 151.3 | 51.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 352 | S | 27 | Very low | 29.8 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -158.9 | 162.4 | 144.2 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 353 | K | 30.5 | Very low | 29.9 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -91.7 | 133.7 | 164 | -68.8 | 179.1 | 178 | 178.5 | 0 | 108.3 | ||||
| 354 | G | 27.7 | Very low | 30.2 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 151.1 | 85.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 355 | S | 32.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 92% | 0.923 | 78% | 0.783 | S | S | * | * | trans | 62.4 | 151 | 157.2 | -146.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 356 | S | 26.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -167.5 | 157 | -178.5 | 95.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 357 | V | 28.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | cis | -162.6 | 137.9 | -3.7 | 113.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 358 | F | 26.4 | Very low | 30.3 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | 66.3 | 164.8 | 157.4 | -80 | -115.6 | 0 | 0 | 0 | 122.4 | ||||
| 359 | L | 38.4 | Very low | 30.6 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -123.4 | 150.4 | -175.2 | -85.1 | 159.3 | 0 | 0 | 0 | 111 | ||||
| 360 | S | 36.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 54.6 | 141.1 | 147.7 | -61.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 361 | C | 29.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | cis | -166.8 | 159.4 | 14.1 | -126 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 362 | M | 29.1 | Very low | 30.9 | Very low | 160 Ų | 160 | 138 Ų | 138 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | 73.6 | 136.6 | 145.9 | -73.4 | -59.6 | -169.6 | 0 | 0 | 124.8 | ||||
| 363 | L | 31.4 | Very low | 30.9 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 71.2 | 147.5 | 155.8 | -65 | 167.6 | 0 | 0 | 0 | 118.5 | ||||
| 364 | S | 34.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | cis | -156.1 | 170.8 | 9.7 | -149 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 365 | E | 29.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 58% | 0.575 | 77% | 0.766 | S | S | * | * | trans | 72.3 | 119.5 | 151.7 | -64.9 | -134.2 | 132 | 0 | 0 | 125 | ||||
| 366 | R | 31.6 | Very low | 30.7 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 71.1 | 150.5 | 136.6 | -65.2 | 172.4 | 179.2 | 154.3 | 1.2 | 118 | ||||
| 367 | K | 28.2 | Very low | 30.8 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | cis | -153.6 | 158.7 | 11.8 | -135.5 | 167.8 | -174.1 | 176.6 | 0 | 111.3 | ||||
| 368 | L | 28.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -96.7 | 159 | 175.6 | -108.6 | 169.4 | 0 | 0 | 0 | 111.5 | ||||
| 369 | P | 39.2 | Very low | 31.1 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | -154.3 | 154.7 | 84.3 | 40.2 | -20.4 | 0 | 0 | 0 | 119.6 | |||||
| 370 | L | 28.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 43.5 | 115.2 | 134 | -55.2 | 172.6 | 0 | 0 | 0 | 120 | ||||
| 371 | T | 25.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | 59.6 | 149 | 74.6 | 68 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 372 | P | 40.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -132.9 | 146.2 | 18.5 | 43.7 | -27.1 | 0 | 0 | 0 | 115.4 | ||||
| 373 | S | 26.8 | Very low | 29.9 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 88.4 | 137.8 | 79.2 | 97.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 374 | R | 27.4 | Very low | 29.7 | Very low | 238 Ų | 238 | 140 Ų | 140 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | 71.5 | 113.2 | 141.6 | -160.3 | -175.8 | -157.2 | 178.4 | 6.5 | 119.4 | ||||
| 375 | G | 29.2 | Very low | 29.5 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -107.4 | 176.2 | 164 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 376 | R | 30.2 | Very low | 29.5 | Very low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -167.4 | 152.8 | 162 | -170.2 | 166.6 | -78.4 | -125.8 | -5.9 | 111.3 | ||||
| 377 | F | 28.8 | Very low | 29.7 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 161.4 | 167.1 | -89.3 | -106.8 | 0 | 0 | 0 | 113.9 | ||||
| 378 | G | 29.9 | Very low | 29.9 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 134.5 | 110.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 379 | D | 29.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -72.9 | 153.7 | 174.2 | -60.8 | -89.9 | 0 | 0 | 0 | 114.8 | ||||
| 380 | S | 29.1 | Very low | 29.3 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 177 | 141 | 125.2 | -86.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 381 | K | 28.5 | Very low | 30.4 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | 69.4 | 91 | 150.2 | -70.7 | 179.1 | 176 | 175.1 | 0 | 121.7 | ||||
| 382 | A | 26.3 | Very low | 30.6 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | 73 | 135.9 | 104.9 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 383 | A | 25.3 | Very low | 31 | Very low | 111 Ų | 111 | 137 Ų | 137 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | 88.3 | 135.8 | 142.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 384 | G | 26.2 | Very low | 31.3 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 108.3 | 102.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 385 | K | 31.7 | Very low | 31.4 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | 63.8 | 132.1 | 78.1 | -67.4 | -173.1 | 176.2 | -179.4 | 0 | 113.8 | |||||
| 386 | M | 27.6 | Very low | 32.1 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | cis | -170 | 153 | 3.9 | -122.4 | 172.2 | 74.2 | 0 | 0 | 113.8 | ||||
| 387 | S | 36.6 | Very low | 33.2 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 66 | 160.8 | 155.6 | -57.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 388 | K | 32.1 | Very low | 33.3 | Very low | 202 Ų | 202 | 125 Ų | 125 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | cis | -159 | 169.4 | -12.4 | -118.8 | 176.8 | 178.2 | 179.5 | 0 | 106.2 | ||||
| 389 | A | 27.3 | Very low | 33.3 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | cis | -148.6 | -170.1 | 15.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 390 | A | 26.8 | Very low | 33.4 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -119.9 | -167.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 391 | P | 52.2 | Low | 33.4 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | -155.6 | 135.9 | 60.8 | 38.8 | -15.4 | 0 | 0 | 0 | 120.1 | |||||
| 392 | T | 31.2 | Very low | 33.5 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 62.3 | 167.8 | 143.2 | 61 | 0 | 0 | 0 | 0 | 120 | ||||
| 393 | P | 48.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -113.9 | -164.8 | -4.7 | 15.6 | 11.1 | 0 | 0 | 0 | 111.5 | ||||
| 394 | K | 32.6 | Very low | 33.9 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | cis | -157.8 | 136.5 | -16.5 | -114.1 | 172.6 | -179.6 | -178.5 | 0 | 105.7 | ||||
| 395 | A | 30.1 | Very low | 34 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | 82.9 | 148.3 | 81.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 396 | P | 43.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -139.3 | -144.4 | -33.7 | 47 | -27.2 | 0 | 0 | 0 | 112.7 | ||||
| 397 | P | 53.9 | Low | 33.7 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | -144.6 | -178.1 | -126.6 | 40.5 | -15.1 | 0 | 0 | 0 | 119.8 | |||||
| 398 | S | 30.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -174.3 | 138.6 | 147.1 | 44.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 399 | T | 29.6 | Very low | 33 | Very low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | cis | 76 | 131.2 | 38.2 | 66.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 400 | N | 31.5 | Very low | 33 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | cis | -165.4 | 151.2 | -16.9 | -133.8 | -19.1 | 0 | 0 | 0 | 112.6 | ||||
| 401 | K | 31 | Very low | 33 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 7.1 | 122.8 | 152.8 | -87.6 | -178.3 | 177.4 | -178.1 | 0 | 123.2 | ||||
| 402 | S | 29.7 | Very low | 32 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | 111.9 | 140.2 | 105.6 | -151.4 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 403 | T | 29.2 | Very low | 32 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 82.4 | 102.1 | 144.9 | 34.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 404 | K | 30.1 | Very low | 31.2 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | 86.7 | 143.9 | 111.6 | -150.1 | -179.2 | -174.6 | 177.9 | 0 | 121 | |||||
| 405 | K | 28.2 | Very low | 31.2 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 73.5 | 153.8 | 171.8 | -76.8 | -165.6 | 164.8 | -138 | 0 | 115.8 | ||||
| 406 | Q | 26.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 134 Ų | 134 | 53% | 0.528 | 76% | 0.762 | S | S | . | * | cis | -172.2 | 163.7 | -15.7 | 166.2 | 175.4 | -21.5 | 0 | 0 | 108.7 | ||||
| 407 | E | 26.1 | Very low | 30.8 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | 68.4 | 135.7 | 174.7 | -99.3 | 89.4 | -104.3 | 0 | 0 | 115.7 | ||||
| 408 | Q | 27.5 | Very low | 30.2 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | 60.8 | 134.3 | 93.8 | -84.9 | -178.1 | -17.9 | 0 | 0 | 115.2 | |||||
| 409 | D | 26.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | cis | -154.9 | 169.1 | 0.5 | -166.9 | 28.7 | 0 | 0 | 0 | 112.4 | ||||
| 410 | N | 28.3 | Very low | 31.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 17.8 | 133.4 | 159 | -81 | -54.1 | 0 | 0 | 0 | 122 | ||||
| 411 | G | 27.1 | Very low | 32.2 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 142.9 | 119.8 | 133 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 412 | V | 31.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | 56.5 | 93.3 | 154.4 | -166.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 413 | A | 30.4 | Very low | 34.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | trans | -96.4 | 117.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 414 | A | 32.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | -152.3 | 150.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 415 | E | 31.4 | Very low | 37.2 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | 56.1 | 68.3 | 168.8 | -57.8 | -160.5 | 176.7 | 0 | 0 | 119.3 | G417 | E415-G417 VanDerWaalsContact C-N 3.26Å; E415-G417 PolarHBondContact O-N 2.81Å; E415-G417 VanDerWaalsContact O-N 3.08Å | ||
| 416 | T | 33.8 | Very low | 38.9 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | trans | -79.7 | 74.7 | 152.9 | 56 | 0 | 0 | 0 | 0 | 111.1 | V418 | T416-V418 PolarHBondContact O-N 3.06Š| ||
| 417 | G | 31.6 | Very low | 40.6 | Very low | 65 Ų | 65 | 119.5 Ų | 119.5 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -62.8 | 127.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E415 R419 | E415-G417 VanDerWaalsContact C-N 3.26Å; E415-G417 PolarHBondContact O-N 2.81Å; E415-G417 VanDerWaalsContact O-N 3.08Å; G417-R419 PolarHBondContact O-N 3.31Å | ||
| 418 | V | 40.8 | Very low | 42.6 | Very low | 128 Ų | 128 | 117 Ų | 117 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -52.9 | 105 | -171.8 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | T416 V420 | T416-V418 PolarHBondContact O-N 3.06Å; V418-V420 HydrophobicContact CG1-CB 4.15Å; V418-V420 HydrophobicContact CG1-CG2 3.46Å; V418-V420 VanDerWaalsContact CG1-CG2 3.46Å; V418-V420 PolarHBondContact O-N 3.02Å | ||
| 419 | R | 40.4 | Very low | 44.5 | Very low | 251 Ų | 251 | 114.8 Ų | 114.8 | 95% | 0.947 | 69% | 0.687 | S | S | * | * | trans | -84 | 99 | 161.8 | -89.5 | -167.5 | 174.3 | -162.6 | 1 | 110 | G417 | G417-R419 PolarHBondContact O-N 3.31Š| ||
| 420 | V | 41.8 | Very low | 46.4 | Very low | 113 Ų | 113 | 112.4 Ų | 112.4 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | trans | -115.7 | 105.4 | 169.9 | 166.1 | 0 | 0 | 0 | 0 | 110.2 | V418 | V418-V420 HydrophobicContact CG1-CB 4.15Å; V418-V420 HydrophobicContact CG1-CG2 3.46Å; V418-V420 VanDerWaalsContact CG1-CG2 3.46Å; V418-V420 PolarHBondContact O-N 3.02Å | ||
| 421 | S | 51.2 | Low | 48.1 | Very low | 48 Ų | 48 | 110.6 Ų | 110.6 | 34% | 0.336 | 67% | 0.67 | S | S | . | * | trans | 43.8 | 76.9 | 155.9 | 65.1 | 0 | 0 | 0 | 0 | 118.7 | E423 L424 | S421-E423 PolarHBondContact O-N 2.83Å; S421-L424 PolarHBondContact O-N 2.9Å; S421-L424 WeakPolarHBondContact OG-CB 3.49Å | ||
| 422 | S | 52.1 | Low | 50.3 | Low | 100 Ų | 100 | 110.6 Ų | 110.6 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -55.9 | -31.6 | 154.7 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | L424 V425 A426 | S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 2.84Å; S422-V425 PolarHBondContact O-N 3.15Å; S422-A426 PolarHBondContact O-N 3.32Å |
| 423 | E | 52.8 | Low | 52.1 | Low | 158 Ų | 158 | 105.7 Ų | 105.7 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.7 | -33.7 | 176.8 | -62.6 | 173.5 | 157.3 | 0 | 0 | 113 | S421 S427 | S421-E423 PolarHBondContact O-N 2.83Å; E423-S427 WeakPolarHBondContact O-CB 3.39Å; E423-S427 PolarHBondContact O-N 3.46Å |
| 424 | L | 55.5 | Low | 53.9 | Low | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.5 | -41.5 | 176.6 | -172.7 | 68.8 | 0 | 0 | 0 | 110.8 | S421 S422 A426 S427 V428 | S421-L424 PolarHBondContact O-N 2.9Å; S421-L424 WeakPolarHBondContact OG-CB 3.49Å; S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 2.84Å; L424-A426 VanDerWaalsContact C-N 3.35Å; L424-S427 PolarHBondContact O-N 2.89Å; L424-V428 WeakPolarHBondContact O-CG2 3.33Å; L424-V428 PolarHBondContact O-N 2.94Å |
| 425 | V | 64.8 | Low | 55.1 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.2 | -45.2 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | S422 S427 V428 Q429 | S422-V425 PolarHBondContact O-N 3.15Å; V425-S427 PolarHBondContact O-N 3.27Å; V425-V428 PolarHBondContact O-N 2.92Å; V425-Q429 WeakPolarHBondContact O-CB 3.5Å; V425-Q429 WeakPolarHBondContact O-CG 3.26Å; V425-Q429 PolarHBondContact O-N 3.28Å |
| 426 | A | 64.1 | Low | 56.4 | Low | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.4 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S422 L424 Q429 S430 | S422-A426 PolarHBondContact O-N 3.32Å; L424-A426 VanDerWaalsContact C-N 3.35Å; A426-Q429 PolarHBondContact O-N 2.79Å; A426-S430 WeakPolarHBondContact O-CB 3.47Å; A426-S430 PolarHBondContact O-N 3.35Å |
| 427 | S | 62.4 | Low | 57.3 | Low | 78 Ų | 78 | 103 Ų | 103 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.7 | -36.9 | 177.1 | -169.2 | 0 | 0 | 0 | 0 | 112.8 | E423 L424 V425 L431 | E423-S427 WeakPolarHBondContact O-CB 3.39Å; E423-S427 PolarHBondContact O-N 3.46Å; L424-S427 PolarHBondContact O-N 2.89Å; V425-S427 PolarHBondContact O-N 3.27Å; S427-L431 PolarHBondContact O-N 2.86Å; S427-L431 VanDerWaalsContact O-N 3.09Å |
| 428 | V | 67.4 | Low | 58.2 | Low | 83 Ų | 83 | 105.7 Ų | 105.7 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.1 | -43.2 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | L424 V425 S430 L431 V432 | L424-V428 WeakPolarHBondContact O-CG2 3.33Å; L424-V428 PolarHBondContact O-N 2.94Å; V425-V428 PolarHBondContact O-N 2.92Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 3.2Å; V428-L431 PolarHBondContact O-N 3.43Å; V428-V432 WeakPolarHBondContact O-CG2 3.46Å; V428-V432 PolarHBondContact O-N 2.92Å |
| 429 | Q | 67.3 | Low | 58.6 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -38.9 | 174.6 | -73.8 | 175.4 | -15 | 0 | 0 | 112.2 | V425 A426 V432 A433 | V425-Q429 WeakPolarHBondContact O-CB 3.5Å; V425-Q429 WeakPolarHBondContact O-CG 3.26Å; V425-Q429 PolarHBondContact O-N 3.28Å; A426-Q429 PolarHBondContact O-N 2.79Å; Q429-V432 PolarHBondContact O-N 2.8Å; Q429-A433 WeakPolarHBondContact O-CB 3.26Å; Q429-A433 PolarHBondContact O-N 3.31Å |
| 430 | S | 67.6 | Low | 58.9 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 172.8 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | A426 V428 A433 V434 | A426-S430 WeakPolarHBondContact O-CB 3.47Å; A426-S430 PolarHBondContact O-N 3.35Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 3.2Å; S430-A433 PolarHBondContact O-N 2.92Å; S430-V434 WeakPolarHBondContact O-CG2 3.22Å; S430-V434 PolarHBondContact O-N 3.04Å |
| 431 | L | 64.6 | Low | 59.2 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 177.4 | -174.4 | 63 | 0 | 0 | 0 | 112.4 | S427 V428 V434 L435 | S427-L431 PolarHBondContact O-N 2.86Å; S427-L431 VanDerWaalsContact O-N 3.09Å; V428-L431 PolarHBondContact O-N 3.43Å; L431-V434 PolarHBondContact O-N 2.89Å; L431-L435 HydrophobicContact CG-CD1 4.28Å; L431-L435 WeakPolarHBondContact O-CG 3.38Å; L431-L435 PolarHBondContact O-N 3.48Å |
| 432 | V | 72 | Confident | 58.9 | Low | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.418 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.2 | -47.6 | 173.9 | 172 | 0 | 0 | 0 | 0 | 110.7 | V428 Q429 V434 L435 E436 | V428-V432 WeakPolarHBondContact O-CG2 3.46Å; V428-V432 PolarHBondContact O-N 2.92Å; Q429-V432 PolarHBondContact O-N 2.8Å; V432-V434 PolarHBondContact O-N 2.7Å; V432-L435 PolarHBondContact O-N 3.4Å; V432-L435 VanDerWaalsContact O-N 3.11Å; V432-E436 HydrophobicContact CG1-CG 4.27Å; V432-E436 WeakPolarHBondContact O-CG 3.26Å; V432-E436 PolarHBondContact O-N 3.23Å |
| 433 | A | 68.9 | Low | 58.2 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 35% | 0.347 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.1 | -25.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q429 S430 R437 | Q429-A433 WeakPolarHBondContact O-CB 3.26Å; Q429-A433 PolarHBondContact O-N 3.31Å; S430-A433 PolarHBondContact O-N 2.92Å; A433-R437 PolarHBondContact O-N 3.25Å |
| 434 | V | 68.4 | Low | 57.6 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.3 | -45.8 | 171 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | S430 L431 V432 R437 Q438 | S430-V434 WeakPolarHBondContact O-CG2 3.22Å; S430-V434 PolarHBondContact O-N 3.04Å; L431-V434 PolarHBondContact O-N 2.89Å; V432-V434 PolarHBondContact O-N 2.7Å; V434-R437 WeakPolarHBondContact O-CB 3.16Å; V434-R437 PolarHBondContact O-N 2.93Å; V434-Q438 PolarHBondContact O-N 2.94Å |
| 435 | L | 58.4 | Low | 56.7 | Low | 90 Ų | 90 | 106.4 Ų | 106.4 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -40.5 | 178.5 | -70.2 | 169.5 | 0 | 0 | 0 | 112.2 | L431 V432 R437 Q438 I439 | L431-L435 HydrophobicContact CG-CD1 4.28Å; L431-L435 WeakPolarHBondContact O-CG 3.38Å; L431-L435 PolarHBondContact O-N 3.48Å; V432-L435 PolarHBondContact O-N 3.4Å; V432-L435 VanDerWaalsContact O-N 3.11Å; L435-R437 PolarHBondContact O-N 3.34Å; L435-Q438 PolarHBondContact O-N 3.18Å; L435-Q438 VanDerWaalsContact O-N 3.17Å; L435-I439 WeakPolarHBondContact O-CG1 3.42Å; L435-I439 PolarHBondContact O-N 3.43Å |
| 436 | E | 58.1 | Low | 55.2 | Low | 112 Ų | 112 | 112.9 Ų | 112.9 | 52% | 0.523 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.3 | -43.1 | 173.4 | -73.5 | -178.8 | 156.5 | 0 | 0 | 111.7 | V432 Q438 I439 H440 | V432-E436 HydrophobicContact CG1-CG 4.27Å; V432-E436 WeakPolarHBondContact O-CG 3.26Å; V432-E436 PolarHBondContact O-N 3.23Å; E436-Q438 VanDerWaalsContact C-N 3.31Å; E436-Q438 PolarHBondContact O-N 3.43Å; E436-I439 PolarHBondContact O-N 2.85Å; E436-H440 PolarHBondContact O-N 2.98Å; E436-H440 PolarHBondContact O-ND1 2.92Å |
| 437 | R | 54 | Low | 53.7 | Low | 193 Ų | 193 | 114 Ų | 114 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -57.9 | -44 | 172.1 | -100.8 | -173.7 | 168.9 | 85.5 | -0.2 | 111.9 | A433 V434 L435 H440 T441 | A433-R437 PolarHBondContact O-N 3.25Å; V434-R437 WeakPolarHBondContact O-CB 3.16Å; V434-R437 PolarHBondContact O-N 2.93Å; L435-R437 PolarHBondContact O-N 3.34Å; R437-H440 PolarHBondContact O-N 3.2Å; R437-T441 PolarHBondContact O-N 2.8Å; R437-T441 PolarHBondContact O-OG1 2.92Å |
| 438 | Q | 49.7 | Very low | 52.4 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70 | -33.1 | -175.4 | -164.5 | 163.6 | -2.8 | 0 | 0 | 112.8 | V434 L435 E436 T441 | V434-Q438 PolarHBondContact O-N 2.94Å; L435-Q438 PolarHBondContact O-N 3.18Å; L435-Q438 VanDerWaalsContact O-N 3.17Å; E436-Q438 VanDerWaalsContact C-N 3.31Å; E436-Q438 PolarHBondContact O-N 3.43Å; Q438-T441 WeakPolarHBondContact CA-OG1 3.5Å; Q438-T441 PolarHBondContact O-OG1 2.93Å |
| 439 | I | 49.9 | Very low | 51.2 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67 | -44.3 | 173.5 | -69.3 | 164.8 | 0 | 0 | 0 | 111.1 | L435 E436 T441 S442 | L435-I439 WeakPolarHBondContact O-CG1 3.42Å; L435-I439 PolarHBondContact O-N 3.43Å; E436-I439 PolarHBondContact O-N 2.85Å; I439-T441 VanDerWaalsContact C-N 3.28Å; I439-T441 PolarHBondContact O-N 2.82Å; I439-S442 PolarHBondContact O-N 3.28Å |
| 440 | H | 45.7 | Very low | 49.5 | Very low | 148 Ų | 148 | 119 Ų | 119 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.8 | -19.7 | -178.8 | -70.2 | 88.7 | 0 | 0 | 0 | 113.7 | E436 R437 | E436-H440 PolarHBondContact O-N 2.98Å; E436-H440 PolarHBondContact O-ND1 2.92Å; R437-H440 PolarHBondContact O-N 3.2Å |
| 441 | T | 49 | Very low | 47.7 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 66% | 0.663 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -11.5 | 176.6 | 44.2 | 0 | 0 | 0 | 0 | 115.5 | R437 Q438 I439 | R437-T441 PolarHBondContact O-N 2.8Å; R437-T441 PolarHBondContact O-OG1 2.92Å; Q438-T441 WeakPolarHBondContact CA-OG1 3.5Å; Q438-T441 PolarHBondContact O-OG1 2.93Å; I439-T441 VanDerWaalsContact C-N 3.28Å; I439-T441 PolarHBondContact O-N 2.82Å |
| 442 | S | 44.1 | Very low | 46 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 7.1 | -176.4 | -62.9 | 0 | 0 | 0 | 0 | 114.8 | I439 | I439-S442 PolarHBondContact O-N 3.28Š|
| 443 | S | 38 | Very low | 44.1 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | trans | -104.1 | 26.6 | -171.7 | -157.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 444 | L | 40.5 | Very low | 42.2 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -138.4 | 85.1 | -177.4 | -93.2 | 168.6 | 0 | 0 | 0 | 113.2 | ||||
| 445 | H | 35.8 | Very low | 40.6 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | -160.1 | 119.8 | 141 | -112.5 | -51.7 | 0 | 0 | 0 | 114.5 | ||||
| 446 | Y | 32.5 | Very low | 39.4 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | 57.3 | 142.7 | 159.3 | -74 | -59.9 | 0 | 0 | 0 | 123 | ||||
| 447 | A | 33.3 | Very low | 38.3 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | trans | -113.1 | 141 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 448 | V | 35.2 | Very low | 37.8 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | 42.2 | 133.7 | 119.3 | -175.7 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 449 | P | 42.7 | Very low | 37.6 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -137.7 | 179.7 | 4.4 | 37.3 | -16.7 | 0 | 0 | 0 | 117.4 | ||||
| 450 | Q | 31.2 | Very low | 37.2 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 109.9 | 116.7 | 128.2 | -152.6 | 145.8 | -1.7 | 0 | 0 | 122.4 | |||||
| 451 | D | 30 | Very low | 37.4 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 68.7 | 154.1 | 148.8 | -64.3 | -19.1 | 0 | 0 | 0 | 124.9 | ||||
| 452 | C | 27.8 | Very low | 37.3 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 82.2 | 79.2 | 166 | -68 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 453 | S | 32.3 | Very low | 37.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 75.6 | 120.5 | 124.4 | 65 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 454 | C | 30.4 | Very low | 38.6 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 87.2 | 117.6 | 137.7 | -69.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 455 | T | 34.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 63 | 126.8 | 151.6 | 34.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 456 | Q | 33.2 | Very low | 40.7 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | cis | -138 | -171.1 | 21.5 | -64.1 | -176 | -14.9 | 0 | 0 | 113.2 | ||||
| 457 | A | 33.3 | Very low | 42.4 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 153.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 458 | P | 44.3 | Very low | 44.2 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -95 | 153 | 178.5 | 37.1 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 459 | P | 45.5 | Very low | 45.9 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 161.9 | 161.9 | 34.2 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 460 | Q | 42 | Very low | 47.3 | Very low | 194 Ų | 194 | 119.3 Ų | 119.3 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 162.9 | -171 | -68.7 | 177 | -20.9 | 0 | 0 | 114.4 | ||
| 461 | F | 48.7 | Very low | 49.5 | Very low | 201 Ų | 201 | 119.9 Ų | 119.9 | 88% | 0.882 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 151.8 | -169.4 | -66.2 | -103.1 | 0 | 0 | 0 | 114.3 | ||
| 462 | A | 47.3 | Very low | 51.8 | Low | 81 Ų | 81 | 116.5 Ų | 116.5 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | trans | -128.9 | -23.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S464 | A462-S464 PolarHBondContact O-N 2.94Š| ||
| 463 | D | 55.1 | Low | 54.2 | Low | 119 Ų | 119 | 117 Ų | 117 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -14.8 | -165 | -59.3 | -58 | 0 | 0 | 0 | 116.3 | S465 V466 I467 | D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 2.88Å; D463-V466 PolarHBondContact O-N 2.68Å; D463-I467 PolarHBondContact O-N 3.47Å |
| 464 | S | 55.2 | Low | 56.5 | Low | 80 Ų | 80 | 117.6 Ų | 117.6 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -61.2 | -38 | -174.6 | -163.3 | 0 | 0 | 0 | 0 | 112.9 | A462 V466 I467 E468 | A462-S464 PolarHBondContact O-N 2.94Å; S464-V466 PolarHBondContact O-N 3.38Å; S464-I467 PolarHBondContact O-N 3.37Å; S464-E468 WeakPolarHBondContact O-CB 3.48Å; S464-E468 PolarHBondContact O-N 2.95Å |
| 465 | S | 58.2 | Low | 58.9 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.8 | -42.4 | -178.9 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | D463 E468 A469 | D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 2.88Å; S465-E468 PolarHBondContact O-N 3.15Å; S465-A469 WeakPolarHBondContact O-CB 3.27Å; S465-A469 PolarHBondContact O-N 2.9Å |
| 466 | V | 62.7 | Low | 61.1 | Low | 89 Ų | 89 | 114.4 Ų | 114.4 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.2 | -40.6 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | D463 S464 E468 L470 | D463-V466 PolarHBondContact O-N 2.68Å; S464-V466 PolarHBondContact O-N 3.38Å; V466-E468 VanDerWaalsContact C-N 3.33Å; V466-E468 PolarHBondContact O-N 3.44Å; V466-L470 HydrophobicContact CG1-CD1 4.18Å; V466-L470 WeakPolarHBondContact O-CB 3.35Å; V466-L470 VanDerWaalsContact O-CG 3.31Å; V466-L470 WeakPolarHBondContact O-CG 3.43Å; V466-L470 PolarHBondContact O-N 2.9Å |
| 467 | I | 67.6 | Low | 63.5 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 177.5 | -63.5 | 170.9 | 0 | 0 | 0 | 110.8 | D463 S464 R471 | D463-I467 PolarHBondContact O-N 3.47Å; S464-I467 PolarHBondContact O-N 3.37Å; I467-R471 VanDerWaalsContact O-CG 3.32Å; I467-R471 WeakPolarHBondContact O-CG 3.21Å; I467-R471 PolarHBondContact O-N 3.03Å |
| 468 | E | 71.6 | Confident | 65.9 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 59% | 0.593 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72 | -40.2 | 179.3 | -165.9 | 145.5 | -133.2 | 0 | 0 | 112.4 | S464 S465 V466 L470 R471 A472 | S464-E468 WeakPolarHBondContact O-CB 3.48Å; S464-E468 PolarHBondContact O-N 2.95Å; S465-E468 PolarHBondContact O-N 3.15Å; V466-E468 VanDerWaalsContact C-N 3.33Å; V466-E468 PolarHBondContact O-N 3.44Å; E468-L470 PolarHBondContact O-N 2.88Å; E468-R471 PolarHBondContact O-N 2.86Å; E468-A472 PolarHBondContact O-N 2.7Å |
| 469 | A | 69.1 | Low | 67.9 | Low | 50 Ų | 50 | 112.6 Ų | 112.6 | 41% | 0.413 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.8 | -42.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S465 A472 Q473 | S465-A469 WeakPolarHBondContact O-CB 3.27Å; S465-A469 PolarHBondContact O-N 2.9Å; A469-A472 PolarHBondContact O-N 3.31Å; A469-Q473 PolarHBondContact O-N 3.45Å |
| 470 | L | 73.6 | Confident | 69.7 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 175.6 | -74.2 | 169.5 | 0 | 0 | 0 | 112.2 | V466 E468 Q473 L474 | V466-L470 HydrophobicContact CG1-CD1 4.18Å; V466-L470 WeakPolarHBondContact O-CB 3.35Å; V466-L470 VanDerWaalsContact O-CG 3.31Å; V466-L470 WeakPolarHBondContact O-CG 3.43Å; V466-L470 PolarHBondContact O-N 2.9Å; E468-L470 PolarHBondContact O-N 2.88Å; L470-Q473 PolarHBondContact O-N 2.95Å; L470-L474 WeakPolarHBondContact O-CB 3.13Å; L470-L474 PolarHBondContact O-N 3.31Å |
| 471 | R | 77.9 | Confident | 71.7 | Confident | 169 Ų | 169 | 105.9 Ų | 105.9 | 64% | 0.638 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -42.2 | 172.7 | -74.9 | 169.4 | 179.1 | 164.7 | 0.7 | 111.8 | I467 E468 L474 A475 | I467-R471 VanDerWaalsContact O-CG 3.32Å; I467-R471 WeakPolarHBondContact O-CG 3.21Å; I467-R471 PolarHBondContact O-N 3.03Å; E468-R471 PolarHBondContact O-N 2.86Å; R471-L474 PolarHBondContact O-N 3.47Å; R471-A475 WeakPolarHBondContact O-CB 3.14Å; R471-A475 PolarHBondContact O-N 3.41Å |
| 472 | A | 78.1 | Confident | 73.5 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E468 A469 A475 H476 | E468-A472 PolarHBondContact O-N 2.7Å; A469-A472 PolarHBondContact O-N 3.31Å; A472-A475 PolarHBondContact O-N 3.27Å; A472-H476 PolarHBondContact O-N 2.87Å |
| 473 | Q | 76.8 | Confident | 75.1 | Confident | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 174.6 | -73.5 | -176.1 | -8.5 | 0 | 0 | 112.5 | A469 L470 H476 K477 | A469-Q473 PolarHBondContact O-N 3.45Å; L470-Q473 PolarHBondContact O-N 2.95Å; Q473-H476 WeakPolarHBondContact O-CB 3.38Å; Q473-H476 PolarHBondContact O-N 2.65Å; Q473-K477 PolarHBondContact O-N 3.13Å |
| 474 | L | 81.1 | Confident | 76.3 | Confident | 120 Ų | 120 | 102.5 Ų | 102.5 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 178.3 | -160.2 | 153.6 | 0 | 0 | 0 | 111 | L470 R471 H476 K477 V478 | L470-L474 WeakPolarHBondContact O-CB 3.13Å; L470-L474 PolarHBondContact O-N 3.31Å; R471-L474 PolarHBondContact O-N 3.47Å; L474-H476 VanDerWaalsContact C-N 3.33Å; L474-H476 PolarHBondContact O-N 2.86Å; L474-K477 PolarHBondContact O-N 3.47Å; L474-V478 HydrophobicContact CD2-CG2 4.02Å; L474-V478 WeakPolarHBondContact O-CG2 3.32Å; L474-V478 PolarHBondContact O-N 2.86Å |
| 475 | A | 80.6 | Confident | 77.9 | Confident | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | R471 A472 K479 | R471-A475 WeakPolarHBondContact O-CB 3.14Å; R471-A475 PolarHBondContact O-N 3.41Å; A472-A475 PolarHBondContact O-N 3.27Å; A475-K479 PolarHBondContact O-N 3.37Å |
| 476 | H | 81.5 | Confident | 79.2 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -48.8 | 171.4 | -171.7 | -68.2 | 0 | 0 | 0 | 111.3 | A472 Q473 L474 V478 K479 E480 | A472-H476 PolarHBondContact O-N 2.87Å; Q473-H476 WeakPolarHBondContact O-CB 3.38Å; Q473-H476 PolarHBondContact O-N 2.65Å; L474-H476 VanDerWaalsContact C-N 3.33Å; L474-H476 PolarHBondContact O-N 2.86Å; H476-V478 VanDerWaalsContact C-N 3.31Å; H476-V478 PolarHBondContact O-N 2.88Å; H476-K479 PolarHBondContact O-N 3.25Å; H476-K479 VanDerWaalsContact O-N 3.16Å; H476-E480 IonicContact CE1-OE2 2.92Å; H476-E480 IonicContact ND1-OE2 2.78Å; H476-E480 PolarHBondContact ND1-OE2 2.68Å; H476-E480 WeakPolarHBondContact O-CB 3.39Å; H476-E480 PolarHBondContact O-N 2.82Å |
| 477 | K | 83.3 | Confident | 80.3 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -31.4 | 179.9 | -75.1 | -70.8 | 171 | -154.8 | 0 | 113.3 | Q473 L474 E480 L481 | Q473-K477 PolarHBondContact O-N 3.13Å; L474-K477 PolarHBondContact O-N 3.47Å; K477-E480 WeakPolarHBondContact CD-OE2 3.38Å; K477-E480 WeakPolarHBondContact CE-OE2 3.45Å; K477-E480 IonicContact NZ-OE1 3.62Å; K477-E480 PolarHBondContact NZ-OE1 3.38Å; K477-E480 IonicContact NZ-OE2 3.65Å; K477-E480 PolarHBondContact NZ-OE2 2.97Å; K477-E480 PolarHBondContact O-N 2.83Å; K477-L481 WeakPolarHBondContact O-CB 3.44Å; K477-L481 VanDerWaalsContact O-CG 3.3Å; K477-L481 WeakPolarHBondContact O-CG 3.34Å; K477-L481 PolarHBondContact O-N 2.81Å |
| 478 | V | 83.4 | Confident | 81.1 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 53% | 0.527 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 171.4 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | L474 H476 L481 Q482 | L474-V478 HydrophobicContact CD2-CG2 4.02Å; L474-V478 WeakPolarHBondContact O-CG2 3.32Å; L474-V478 PolarHBondContact O-N 2.86Å; H476-V478 VanDerWaalsContact C-N 3.31Å; H476-V478 PolarHBondContact O-N 2.88Å; V478-L481 PolarHBondContact O-N 3.25Å; V478-Q482 PolarHBondContact O-N 3.49Å |
| 479 | K | 87 | Confident | 82 | Confident | 159 Ų | 159 | 99.8 Ų | 99.8 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 174.5 | -71.7 | -178.4 | 177.8 | -175.4 | 0 | 112.4 | A475 H476 Q482 M483 | A475-K479 PolarHBondContact O-N 3.37Å; H476-K479 PolarHBondContact O-N 3.25Å; H476-K479 VanDerWaalsContact O-N 3.16Å; K479-Q482 PolarHBondContact O-N 2.9Å; K479-M483 VanDerWaalsContact O-CG 3.28Å; K479-M483 WeakPolarHBondContact O-CG 3.45Å; K479-M483 PolarHBondContact O-N 3.43Å |
| 480 | E | 83.4 | Confident | 83 | Confident | 62 Ų | 62 | 103 Ų | 103 | 29% | 0.29 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 177.4 | -164.4 | -179.3 | 136.5 | 0 | 0 | 111.9 | H476 K477 M484 | H476-E480 IonicContact CE1-OE2 2.92Å; H476-E480 IonicContact ND1-OE2 2.78Å; H476-E480 PolarHBondContact ND1-OE2 2.68Å; H476-E480 WeakPolarHBondContact O-CB 3.39Å; H476-E480 PolarHBondContact O-N 2.82Å; K477-E480 WeakPolarHBondContact CD-OE2 3.38Å; K477-E480 WeakPolarHBondContact CE-OE2 3.45Å; K477-E480 IonicContact NZ-OE1 3.62Å; K477-E480 PolarHBondContact NZ-OE1 3.38Å; K477-E480 IonicContact NZ-OE2 3.65Å; K477-E480 PolarHBondContact NZ-OE2 2.97Å; K477-E480 PolarHBondContact O-N 2.83Å; E480-M484 HydrophobicContact CG-CE 4.36Å; E480-M484 WeakPolarHBondContact O-CG 3.43Å; E480-M484 PolarHBondContact O-N 3.33Å |
| 481 | L | 83.9 | Confident | 83.6 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.3 | -34.1 | 173.8 | -72.9 | 170 | 0 | 0 | 0 | 113.2 | K477 V478 M484 K485 | K477-L481 WeakPolarHBondContact O-CB 3.44Å; K477-L481 VanDerWaalsContact O-CG 3.3Å; K477-L481 WeakPolarHBondContact O-CG 3.34Å; K477-L481 PolarHBondContact O-N 2.81Å; V478-L481 PolarHBondContact O-N 3.25Å; L481-M484 PolarHBondContact O-N 3.44Å; L481-K485 PolarHBondContact O-N 2.84Å |
| 482 | Q | 87.1 | Confident | 84 | Confident | 93 Ų | 93 | 97.4 Ų | 97.4 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 175.2 | -177.7 | 58.3 | 43.7 | 0 | 0 | 111.2 | V478 K479 M484 K485 D486 | V478-Q482 PolarHBondContact O-N 3.49Å; K479-Q482 PolarHBondContact O-N 2.9Å; Q482-M484 VanDerWaalsContact C-N 3.34Å; Q482-M484 PolarHBondContact O-N 3.19Å; Q482-K485 WeakPolarHBondContact O-CB 3.44Å; Q482-K485 PolarHBondContact O-N 2.94Å; Q482-D486 PolarHBondContact NE2-OD1 2.85Å; Q482-D486 PolarHBondContact NE2-OD2 3.21Å; Q482-D486 VanDerWaalsContact O-CG 3.32Å; Q482-D486 PolarHBondContact O-N 2.9Å |
| 483 | M | 80.6 | Confident | 84.6 | Confident | 128 Ų | 128 | 96.9 Ų | 96.9 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54 | -49.5 | 173.5 | -65.7 | -88 | -64.4 | 0 | 0 | 111.2 | K479 K485 D486 D487 | K479-M483 VanDerWaalsContact O-CG 3.28Å; K479-M483 WeakPolarHBondContact O-CG 3.45Å; K479-M483 PolarHBondContact O-N 3.43Å; M483-K485 VanDerWaalsContact C-N 3.26Å; M483-K485 PolarHBondContact O-N 3.17Å; M483-D486 PolarHBondContact O-N 2.81Å; M483-D487 WeakPolarHBondContact O-CB 3.28Å; M483-D487 PolarHBondContact O-N 2.85Å |
| 484 | M | 79.7 | Confident | 85.2 | Confident | 110 Ų | 110 | 94.7 Ų | 94.7 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -28.9 | 178.1 | -70 | -177.7 | -175.9 | 0 | 0 | 113.8 | E480 L481 Q482 A488 | E480-M484 HydrophobicContact CG-CE 4.36Å; E480-M484 WeakPolarHBondContact O-CG 3.43Å; E480-M484 PolarHBondContact O-N 3.33Å; L481-M484 PolarHBondContact O-N 3.44Å; Q482-M484 VanDerWaalsContact C-N 3.34Å; Q482-M484 PolarHBondContact O-N 3.19Å; M484-A488 VanDerWaalsContact O-CB 3.28Å; M484-A488 WeakPolarHBondContact O-CB 3.22Å; M484-A488 PolarHBondContact O-N 3.45Å; M484-A488 VanDerWaalsContact O-N 3.1Å |
| 485 | K | 88.4 | Confident | 85.4 | Confident | 100 Ų | 100 | 96.5 Ų | 96.5 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.2 | -44.7 | 175 | -179.8 | -177.3 | 170.9 | -61.7 | 0 | 111 | L481 Q482 M483 A488 E489 | L481-K485 PolarHBondContact O-N 2.84Å; Q482-K485 WeakPolarHBondContact O-CB 3.44Å; Q482-K485 PolarHBondContact O-N 2.94Å; M483-K485 VanDerWaalsContact C-N 3.26Å; M483-K485 PolarHBondContact O-N 3.17Å; K485-A488 PolarHBondContact O-N 3.34Å; K485-E489 WeakPolarHBondContact CE-OE1 3.47Å; K485-E489 IonicContact NZ-OE1 3.66Å; K485-E489 PolarHBondContact NZ-OE1 3.17Å; K485-E489 IonicContact NZ-OE2 3.54Å; K485-E489 PolarHBondContact O-N 2.82Å |
| 486 | D | 86.6 | Confident | 85.8 | Confident | 74 Ų | 74 | 100.6 Ų | 100.6 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | -179.3 | -59.6 | -27.1 | 0 | 0 | 0 | 110.8 | Q482 M483 A488 E489 H490 | Q482-D486 PolarHBondContact NE2-OD1 2.85Å; Q482-D486 PolarHBondContact NE2-OD2 3.21Å; Q482-D486 VanDerWaalsContact O-CG 3.32Å; Q482-D486 PolarHBondContact O-N 2.9Å; M483-D486 PolarHBondContact O-N 2.81Å; D486-A488 PolarHBondContact O-N 3.08Å; D486-E489 PolarHBondContact O-N 2.94Å; D486-H490 PolarHBondContact O-N 3.4Å |
| 487 | D | 84 | Confident | 86.1 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 168.8 | -75.8 | -32 | 0 | 0 | 0 | 112 | M483 E489 H490 I491 | M483-D487 WeakPolarHBondContact O-CB 3.28Å; M483-D487 PolarHBondContact O-N 2.85Å; D487-E489 VanDerWaalsContact C-N 3.35Å; D487-E489 PolarHBondContact O-N 3.46Å; D487-H490 PolarHBondContact O-N 3.02Å; D487-I491 WeakPolarHBondContact O-CB 3.5Å; D487-I491 VanDerWaalsContact O-CG1 3.26Å; D487-I491 WeakPolarHBondContact O-CG1 3.24Å; D487-I491 PolarHBondContact O-N 2.67Å |
| 488 | A | 86.4 | Confident | 86.3 | Confident | 42 Ų | 42 | 98.6 Ų | 98.6 | 35% | 0.347 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M484 K485 D486 N492 | M484-A488 VanDerWaalsContact O-CB 3.28Å; M484-A488 WeakPolarHBondContact O-CB 3.22Å; M484-A488 PolarHBondContact O-N 3.45Å; M484-A488 VanDerWaalsContact O-N 3.1Å; K485-A488 PolarHBondContact O-N 3.34Å; D486-A488 PolarHBondContact O-N 3.08Å; A488-N492 WeakPolarHBondContact O-CB 3.43Å; A488-N492 PolarHBondContact O-N 3.47Å; A488-N492 PolarHBondContact O-ND2 2.83Å; A488-N492 VanDerWaalsContact O-ND2 3.09Å |
| 489 | E | 89.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 173.9 | -75.3 | 176.5 | -156.5 | 0 | 0 | 111.5 | K485 D486 D487 N492 S493 | K485-E489 WeakPolarHBondContact CE-OE1 3.47Å; K485-E489 IonicContact NZ-OE1 3.66Å; K485-E489 PolarHBondContact NZ-OE1 3.17Å; K485-E489 IonicContact NZ-OE2 3.54Å; K485-E489 PolarHBondContact O-N 2.82Å; D486-E489 PolarHBondContact O-N 2.94Å; D487-E489 VanDerWaalsContact C-N 3.35Å; D487-E489 PolarHBondContact O-N 3.46Å; E489-N492 PolarHBondContact O-N 3.03Å; E489-S493 PolarHBondContact O-N 3.45Å |
| 490 | H | 89.7 | Confident | 86.9 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 173.1 | -174.5 | -114.9 | 0 | 0 | 0 | 112.4 | D486 D487 N492 S493 L494 | D486-H490 PolarHBondContact O-N 3.4Å; D487-H490 PolarHBondContact O-N 3.02Å; H490-N492 VanDerWaalsContact C-N 3.29Å; H490-N492 PolarHBondContact O-N 3.14Å; H490-S493 WeakPolarHBondContact O-CB 3.4Å; H490-S493 PolarHBondContact O-N 3.36Å; H490-L494 WeakPolarHBondContact O-CG 3.09Å; H490-L494 PolarHBondContact O-N 3.41Å |
| 491 | I | 85.4 | Confident | 87.1 | Confident | 79 Ų | 79 | 102.6 Ų | 102.6 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 174.9 | -71.9 | 165.2 | 0 | 0 | 0 | 111.3 | D487 L494 R495 | D487-I491 WeakPolarHBondContact O-CB 3.5Å; D487-I491 VanDerWaalsContact O-CG1 3.26Å; D487-I491 WeakPolarHBondContact O-CG1 3.24Å; D487-I491 PolarHBondContact O-N 2.67Å; I491-L494 PolarHBondContact O-N 3.08Å; I491-R495 VanDerWaalsContact O-CG 3.3Å; I491-R495 WeakPolarHBondContact O-CG 3.43Å; I491-R495 PolarHBondContact O-N 2.79Å |
| 492 | N | 86.6 | Confident | 87.2 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.3 | -34.3 | 177.7 | -72.3 | -28.8 | 0 | 0 | 0 | 112.8 | A488 E489 H490 R495 Q496 | A488-N492 WeakPolarHBondContact O-CB 3.43Å; A488-N492 PolarHBondContact O-N 3.47Å; A488-N492 PolarHBondContact O-ND2 2.83Å; A488-N492 VanDerWaalsContact O-ND2 3.09Å; E489-N492 PolarHBondContact O-N 3.03Å; H490-N492 VanDerWaalsContact C-N 3.29Å; H490-N492 PolarHBondContact O-N 3.14Å; N492-R495 PolarHBondContact O-N 2.8Å; N492-R495 PolarHBondContact OD1-NH1 2.79Å; N492-Q496 WeakPolarHBondContact O-CG 3.44Å; N492-Q496 PolarHBondContact O-N 2.99Å; N492-Q496 VanDerWaalsContact O-N 3.1Å |
| 493 | S | 91.5 | Very high | 87.1 | Confident | 54 Ų | 54 | 100.3 Ų | 100.3 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 170 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | E489 H490 R495 Q496 Q497 | E489-S493 PolarHBondContact O-N 3.45Å; H490-S493 WeakPolarHBondContact O-CB 3.4Å; H490-S493 PolarHBondContact O-N 3.36Å; S493-R495 VanDerWaalsContact C-N 3.33Å; S493-R495 PolarHBondContact O-N 3.15Å; S493-Q496 PolarHBondContact O-N 2.97Å; S493-Q496 VanDerWaalsContact O-N 3.17Å; S493-Q497 PolarHBondContact O-N 3.33Å |
| 494 | L | 88.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 101.1 Ų | 101.1 | 44% | 0.44 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 175.7 | -71.2 | 173.3 | 0 | 0 | 0 | 112.5 | H490 I491 Q497 N498 | H490-L494 WeakPolarHBondContact O-CG 3.09Å; H490-L494 PolarHBondContact O-N 3.41Å; I491-L494 PolarHBondContact O-N 3.08Å; L494-Q497 PolarHBondContact O-N 3.42Å; L494-N498 WeakPolarHBondContact O-CB 3.25Å; L494-N498 PolarHBondContact O-N 3.2Å |
| 495 | R | 86.4 | Confident | 87.9 | Confident | 158 Ų | 158 | 100.6 Ų | 100.6 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 173.9 | -76.9 | 167.8 | 174 | 155.9 | -1.5 | 112.5 | I491 N492 S493 N498 Y499 | I491-R495 VanDerWaalsContact O-CG 3.3Å; I491-R495 WeakPolarHBondContact O-CG 3.43Å; I491-R495 PolarHBondContact O-N 2.79Å; N492-R495 PolarHBondContact O-N 2.8Å; N492-R495 PolarHBondContact OD1-NH1 2.79Å; S493-R495 VanDerWaalsContact C-N 3.33Å; S493-R495 PolarHBondContact O-N 3.15Å; R495-N498 PolarHBondContact O-N 2.86Å; R495-Y499 PolarHBondContact O-N 3.43Å |
| 496 | Q | 88.7 | Confident | 87.7 | Confident | 139 Ų | 139 | 103.4 Ų | 103.4 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 177.1 | -70.9 | 178.5 | 7.8 | 0 | 0 | 111.8 | N492 S493 L500 | N492-Q496 WeakPolarHBondContact O-CG 3.44Å; N492-Q496 PolarHBondContact O-N 2.99Å; N492-Q496 VanDerWaalsContact O-N 3.1Å; S493-Q496 PolarHBondContact O-N 2.97Å; S493-Q496 VanDerWaalsContact O-N 3.17Å; Q496-L500 PolarHBondContact O-N 3.38Å; Q496-L500 VanDerWaalsContact O-N 3.13Å |
| 497 | Q | 87.6 | Confident | 87.6 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 174 | -67 | -178.9 | 8.5 | 0 | 0 | 111.8 | S493 L494 L500 L501 | S493-Q497 PolarHBondContact O-N 3.33Å; L494-Q497 PolarHBondContact O-N 3.42Å; Q497-L500 PolarHBondContact O-N 3.05Å; Q497-L501 WeakPolarHBondContact O-CG 3.21Å; Q497-L501 PolarHBondContact O-N 3.4Å |
| 498 | N | 86.4 | Confident | 87.2 | Confident | 87 Ų | 87 | 102.1 Ų | 102.1 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 179 | -155.9 | -73.3 | 0 | 0 | 0 | 111.5 | L494 R495 L500 L501 Q502 | L494-N498 WeakPolarHBondContact O-CB 3.25Å; L494-N498 PolarHBondContact O-N 3.2Å; R495-N498 PolarHBondContact O-N 2.86Å; N498-L500 PolarHBondContact O-N 2.88Å; N498-L501 PolarHBondContact O-N 3Å; N498-L501 VanDerWaalsContact O-N 3.15Å; N498-Q502 WeakPolarHBondContact O-CG 3.32Å; N498-Q502 PolarHBondContact O-N 2.83Å; N498-Q502 PolarHBondContact OD1-NE2 3.04Å |
| 499 | Y | 92.8 | Very high | 86.9 | Confident | 173 Ų | 173 | 104.4 Ų | 104.4 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 174.2 | -177.3 | -97.9 | 0 | 0 | 0 | 112.8 | R495 L501 Q502 S503 | R495-Y499 PolarHBondContact O-N 3.43Å; Y499-L501 VanDerWaalsContact C-N 3.35Å; Y499-L501 PolarHBondContact O-N 2.96Å; Y499-Q502 PolarHBondContact O-N 3.47Å; Y499-S503 WeakPolarHBondContact O-CB 3.37Å; Y499-S503 PolarHBondContact O-N 2.94Å |
| 500 | L | 91.4 | Very high | 86.3 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -37.6 | 174.1 | -88.7 | 165.8 | 0 | 0 | 0 | 112.8 | Q496 Q497 N498 K504 | Q496-L500 PolarHBondContact O-N 3.38Å; Q496-L500 VanDerWaalsContact O-N 3.13Å; Q497-L500 PolarHBondContact O-N 3.05Å; N498-L500 PolarHBondContact O-N 2.88Å; L500-K504 WeakPolarHBondContact O-CG 3.07Å; L500-K504 PolarHBondContact O-N 3.24Å |
| 501 | L | 87.8 | Confident | 85.5 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.7 | -42.9 | 176.2 | -70 | 170.4 | 0 | 0 | 0 | 111.9 | Q497 N498 Y499 S503 K504 L505 | Q497-L501 WeakPolarHBondContact O-CG 3.21Å; Q497-L501 PolarHBondContact O-N 3.4Å; N498-L501 PolarHBondContact O-N 3Å; N498-L501 VanDerWaalsContact O-N 3.15Å; Y499-L501 VanDerWaalsContact C-N 3.35Å; Y499-L501 PolarHBondContact O-N 2.96Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 3.24Å; L501-K504 PolarHBondContact O-N 2.84Å; L501-L505 WeakPolarHBondContact O-CB 3.46Å; L501-L505 PolarHBondContact O-N 2.6Å |
| 502 | Q | 84.5 | Confident | 84.6 | Confident | 89 Ų | 89 | 101 Ų | 101 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 174.7 | -70.9 | 179.4 | 24.3 | 0 | 0 | 112.2 | N498 Y499 L505 R506 | N498-Q502 WeakPolarHBondContact O-CG 3.32Å; N498-Q502 PolarHBondContact O-N 2.83Å; N498-Q502 PolarHBondContact OD1-NE2 3.04Å; Y499-Q502 PolarHBondContact O-N 3.47Å; Q502-L505 PolarHBondContact O-N 2.6Å; Q502-R506 WeakPolarHBondContact O-CG 3.37Å; Q502-R506 PolarHBondContact O-N 3.47Å |
| 503 | S | 86.7 | Confident | 83.7 | Confident | 71 Ų | 71 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | Y499 L501 S507 | Y499-S503 WeakPolarHBondContact O-CB 3.37Å; Y499-S503 PolarHBondContact O-N 2.94Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 3.24Å; S503-S507 WeakPolarHBondContact O-CB 3.11Å; S503-S507 PolarHBondContact O-N 2.99Å; S503-S507 VanDerWaalsContact O-N 3.14Å |
| 504 | K | 89.2 | Confident | 82.6 | Confident | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 173.6 | -73.5 | 178.9 | 179 | -175.9 | 0 | 112.8 | L500 L501 S507 A508 | L500-K504 WeakPolarHBondContact O-CG 3.07Å; L500-K504 PolarHBondContact O-N 3.24Å; L501-K504 PolarHBondContact O-N 2.84Å; K504-S507 PolarHBondContact O-N 3.5Å; K504-A508 PolarHBondContact O-N 2.95Å; K504-A508 VanDerWaalsContact O-N 3.07Å |
| 505 | L | 86.1 | Confident | 81.3 | Confident | 99 Ų | 99 | 113.1 Ų | 113.1 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.2 | -52.9 | 178.4 | -178.4 | 62 | 0 | 0 | 0 | 110.7 | L501 Q502 S507 A508 E509 | L501-L505 WeakPolarHBondContact O-CB 3.46Å; L501-L505 PolarHBondContact O-N 2.6Å; Q502-L505 PolarHBondContact O-N 2.6Å; L505-S507 VanDerWaalsContact C-N 3.28Å; L505-S507 PolarHBondContact O-N 3Å; L505-A508 WeakPolarHBondContact O-CA 3.4Å; L505-A508 WeakPolarHBondContact O-CB 3.5Å; L505-A508 PolarHBondContact O-N 3.4Å; L505-E509 HydrophobicContact CD1-CG 4.29Å; L505-E509 HydrophobicContact CG-CG 4.34Å; L505-E509 WeakPolarHBondContact CG-OE1 2.99Å; L505-E509 WeakPolarHBondContact O-CG 3.28Å; L505-E509 PolarHBondContact O-N 2.84Å |
| 506 | R | 85.4 | Confident | 79.6 | Confident | 159 Ų | 159 | 115 Ų | 115 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.9 | -40.4 | 177 | -67.2 | -176.3 | -165.9 | -175.4 | 5.8 | 112.7 | Q502 A508 E509 E510 | Q502-R506 WeakPolarHBondContact O-CG 3.37Å; Q502-R506 PolarHBondContact O-N 3.47Å; R506-A508 VanDerWaalsContact C-N 3.3Å; R506-A508 PolarHBondContact O-N 2.9Å; R506-E509 WeakPolarHBondContact CA-OE2 3.35Å; R506-E509 PolarHBondContact O-N 3.48Å; R506-E510 WeakPolarHBondContact O-CB 3.37Å; R506-E510 WeakPolarHBondContact O-CG 3.35Å; R506-E510 PolarHBondContact O-N 2.86Å |
| 507 | S | 83.4 | Confident | 78.1 | Confident | 79 Ų | 79 | 115.4 Ų | 115.4 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.6 | -37.8 | 175.9 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | S503 K504 L505 A511 | S503-S507 WeakPolarHBondContact O-CB 3.11Å; S503-S507 PolarHBondContact O-N 2.99Å; S503-S507 VanDerWaalsContact O-N 3.14Å; K504-S507 PolarHBondContact O-N 3.5Å; L505-S507 VanDerWaalsContact C-N 3.28Å; L505-S507 PolarHBondContact O-N 3Å; S507-A511 WeakPolarHBondContact O-CB 3.46Å; S507-A511 PolarHBondContact O-N 3.25Å |
| 508 | A | 77.4 | Confident | 76.4 | Confident | 60 Ų | 60 | 118.5 Ų | 118.5 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.2 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K504 L505 R506 A511 N512 | K504-A508 PolarHBondContact O-N 2.95Å; K504-A508 VanDerWaalsContact O-N 3.07Å; L505-A508 WeakPolarHBondContact O-CA 3.4Å; L505-A508 WeakPolarHBondContact O-CB 3.5Å; L505-A508 PolarHBondContact O-N 3.4Å; R506-A508 VanDerWaalsContact C-N 3.3Å; R506-A508 PolarHBondContact O-N 2.9Å; A508-A511 PolarHBondContact O-N 2.91Å; A508-N512 WeakPolarHBondContact O-CB 3.33Å; A508-N512 PolarHBondContact O-N 2.83Å |
| 509 | E | 78.1 | Confident | 74.9 | Confident | 91 Ų | 91 | 118 Ų | 118 | 43% | 0.425 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.7 | -48 | 176.2 | -70.8 | 167 | 156.7 | 0 | 0 | 111.2 | L505 R506 A511 N512 Q513 | L505-E509 HydrophobicContact CD1-CG 4.29Å; L505-E509 HydrophobicContact CG-CG 4.34Å; L505-E509 WeakPolarHBondContact CG-OE1 2.99Å; L505-E509 WeakPolarHBondContact O-CG 3.28Å; L505-E509 PolarHBondContact O-N 2.84Å; R506-E509 WeakPolarHBondContact CA-OE2 3.35Å; R506-E509 PolarHBondContact O-N 3.48Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 3.38Å; E509-N512 PolarHBondContact O-N 3.21Å; E509-N512 VanDerWaalsContact O-N 3.16Å; E509-Q513 WeakPolarHBondContact O-CG 3.44Å; E509-Q513 PolarHBondContact O-N 3.48Å |
| 510 | E | 77.8 | Confident | 72.6 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 42% | 0.416 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -39.8 | 174.3 | -74.3 | -176.6 | -147.2 | 0 | 0 | 112.5 | R506 N512 R514 | R506-E510 WeakPolarHBondContact O-CB 3.37Å; R506-E510 WeakPolarHBondContact O-CG 3.35Å; R506-E510 PolarHBondContact O-N 2.86Å; E510-N512 VanDerWaalsContact C-N 3.3Å; E510-N512 PolarHBondContact O-N 3.31Å; E510-R514 VanDerWaalsContact O-CG 3.28Å; E510-R514 WeakPolarHBondContact O-CG 3.37Å; E510-R514 PolarHBondContact O-N 2.94Å; E510-R514 IonicContact OE2-CZ 3.88Å; E510-R514 VanDerWaalsContact OE2-CZ 3.31Å; E510-R514 IonicContact OE2-NH1 2.73Å; E510-R514 PolarHBondContact OE2-NH1 3.43Å; E510-R514 IonicContact OE2-NH2 3.31Å; E510-R514 PolarHBondContact OE2-NH2 3.47Å |
| 511 | A | 73.1 | Confident | 70.9 | Confident | 52 Ų | 52 | 113.8 Ų | 113.8 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.4 | -33.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S507 A508 E509 R515 | S507-A511 WeakPolarHBondContact O-CB 3.46Å; S507-A511 PolarHBondContact O-N 3.25Å; A508-A511 PolarHBondContact O-N 2.91Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 3.38Å; A511-R515 PolarHBondContact O-N 3.48Å |
| 512 | N | 65.8 | Low | 69.5 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 48% | 0.481 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.8 | -41.3 | 176.7 | -156.7 | 28 | 0 | 0 | 0 | 111.7 | A508 E509 E510 R514 R515 W516 | A508-N512 WeakPolarHBondContact O-CB 3.33Å; A508-N512 PolarHBondContact O-N 2.83Å; E509-N512 PolarHBondContact O-N 3.21Å; E509-N512 VanDerWaalsContact O-N 3.16Å; E510-N512 VanDerWaalsContact C-N 3.3Å; E510-N512 PolarHBondContact O-N 3.31Å; N512-R514 VanDerWaalsContact C-N 3.33Å; N512-R514 PolarHBondContact O-N 3.2Å; N512-R515 WeakPolarHBondContact O-CB 3.42Å; N512-R515 PolarHBondContact O-N 3.3Å; N512-R515 VanDerWaalsContact O-N 3.15Å; N512-W516 PolarHBondContact O-N 2.84Å; N512-W516 VanDerWaalsContact O-N 3.13Å |
| 513 | Q | 69.6 | Low | 68.2 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.9 | -40.1 | 175 | -73.7 | 172.3 | -2.2 | 0 | 0 | 112.2 | E509 R515 W516 L517 | E509-Q513 WeakPolarHBondContact O-CG 3.44Å; E509-Q513 PolarHBondContact O-N 3.48Å; Q513-R515 VanDerWaalsContact C-N 3.32Å; Q513-R515 PolarHBondContact O-N 3Å; Q513-W516 PolarHBondContact O-N 3.16Å; Q513-L517 PolarHBondContact O-N 2.87Å; Q513-L517 VanDerWaalsContact O-N 3.13Å |
| 514 | R | 66.8 | Low | 66.8 | Low | 148 Ų | 148 | 112.1 Ų | 112.1 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.5 | -40.1 | 173.8 | -73.5 | 169.5 | -174.4 | 121.7 | 12.1 | 112.1 | E510 N512 E518 | E510-R514 VanDerWaalsContact O-CG 3.28Å; E510-R514 WeakPolarHBondContact O-CG 3.37Å; E510-R514 PolarHBondContact O-N 2.94Å; E510-R514 IonicContact OE2-CZ 3.88Å; E510-R514 VanDerWaalsContact OE2-CZ 3.31Å; E510-R514 IonicContact OE2-NH1 2.73Å; E510-R514 PolarHBondContact OE2-NH1 3.43Å; E510-R514 IonicContact OE2-NH2 3.31Å; E510-R514 PolarHBondContact OE2-NH2 3.47Å; N512-R514 VanDerWaalsContact C-N 3.33Å; N512-R514 PolarHBondContact O-N 3.2Å; R514-E518 PolarHBondContact O-N 3.49Å |
| 515 | R | 62.2 | Low | 65.5 | Low | 192 Ų | 192 | 109.8 Ų | 109.8 | 73% | 0.725 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.4 | -36.6 | 174.4 | -86.3 | -176.4 | 171 | 179.8 | -2.8 | 114 | A511 N512 Q513 | A511-R515 PolarHBondContact O-N 3.48Å; N512-R515 WeakPolarHBondContact O-CB 3.42Å; N512-R515 PolarHBondContact O-N 3.3Å; N512-R515 VanDerWaalsContact O-N 3.15Å; Q513-R515 VanDerWaalsContact C-N 3.32Å; Q513-R515 PolarHBondContact O-N 3Å |
| 516 | W | 51.4 | Low | 64.7 | Low | 199 Ų | 199 | 110.6 Ų | 110.6 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.2 | -36.7 | 178.7 | -88.8 | 83.5 | 0 | 0 | 0 | 112.4 | N512 Q513 E518 A519 | N512-W516 PolarHBondContact O-N 2.84Å; N512-W516 VanDerWaalsContact O-N 3.13Å; Q513-W516 PolarHBondContact O-N 3.16Å; W516-E518 VanDerWaalsContact C-N 3.3Å; W516-E518 PolarHBondContact O-N 2.85Å; W516-A519 PolarHBondContact O-N 2.91Å |
| 517 | L | 56.3 | Low | 64.2 | Low | 146 Ų | 146 | 110.1 Ų | 110.1 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.2 | -21.2 | 178.9 | -81.7 | 160.1 | 0 | 0 | 0 | 114.4 | Q513 A519 | Q513-L517 PolarHBondContact O-N 2.87Å; Q513-L517 VanDerWaalsContact O-N 3.13Å; L517-A519 VanDerWaalsContact C-N 3.33Å |
| 518 | E | 53.2 | Low | 63.8 | Low | 175 Ų | 175 | 110.1 Ų | 110.1 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 0.1 | 176.4 | -69.4 | -177.2 | 141.1 | 0 | 0 | 113.7 | R514 W516 | R514-E518 PolarHBondContact O-N 3.49Å; W516-E518 VanDerWaalsContact C-N 3.3Å; W516-E518 PolarHBondContact O-N 2.85Å |
| 519 | A | 54.8 | Low | 64 | Low | 77 Ų | 77 | 112.1 Ų | 112.1 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -126.1 | 20.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | W516 L517 D521 | W516-A519 PolarHBondContact O-N 2.91Å; L517-A519 VanDerWaalsContact C-N 3.33Å; A519-D521 PolarHBondContact O-N 2.94Å | ||
| 520 | A | 44.7 | Very low | 64.1 | Low | 70 Ų | 70 | 113.5 Ų | 113.5 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | trans | -86.1 | 104.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 521 | D | 55.3 | Low | 64.4 | Low | 121 Ų | 121 | 114.5 Ų | 114.5 | 65% | 0.647 | 59% | 0.592 | S | S | * | * | trans | -83.3 | 142.5 | 165.6 | -116.7 | -26.1 | 0 | 0 | 0 | 110.2 | A519 A523 T524 | A519-D521 PolarHBondContact O-N 2.94Å; D521-A523 PolarHBondContact O-N 3.44Å; D521-T524 WeakPolarHBondContact O-CB 3.41Å; D521-T524 PolarHBondContact O-N 2.82Å; D521-T524 PolarHBondContact O-OG1 2.85Å | ||
| 522 | P | 58.4 | Low | 64.9 | Low | 97 Ų | 97 | 116 Ų | 116 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.2 | -12.9 | -171.6 | 27 | -35.2 | 0 | 0 | 0 | 114.5 | T524 E525 | P522-T524 VanDerWaalsContact C-N 3.27Å; P522-E525 WeakPolarHBondContact O-CB 3.28Å; P522-E525 PolarHBondContact O-N 3.25Å |
| 523 | A | 55.6 | Low | 66.1 | Low | 80 Ų | 80 | 117.3 Ų | 117.3 | 66% | 0.661 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.4 | -9.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D521 | D521-A523 PolarHBondContact O-N 3.44Å |
| 524 | T | 58.8 | Low | 67 | Low | 59 Ų | 59 | 116.5 Ų | 116.5 | 36% | 0.362 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -86.3 | -26.3 | 167.8 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | D521 P522 D526 K527 I528 | D521-T524 WeakPolarHBondContact O-CB 3.41Å; D521-T524 PolarHBondContact O-N 2.82Å; D521-T524 PolarHBondContact O-OG1 2.85Å; P522-T524 VanDerWaalsContact C-N 3.27Å; T524-D526 PolarHBondContact O-N 3.17Å; T524-K527 WeakPolarHBondContact O-CB 3.36Å; T524-K527 PolarHBondContact O-N 3.45Å; T524-I528 WeakPolarHBondContact O-CG1 3.18Å; T524-I528 PolarHBondContact O-N 2.9Å |
| 525 | E | 60.9 | Low | 68 | Low | 98 Ų | 98 | 113.9 Ų | 113.9 | 46% | 0.458 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -52.5 | -47.1 | -177 | -157.7 | 82.5 | -140 | 0 | 0 | 112.7 | P522 K527 I528 Q529 | P522-E525 WeakPolarHBondContact O-CB 3.28Å; P522-E525 PolarHBondContact O-N 3.25Å; E525-K527 VanDerWaalsContact C-N 3.34Å; E525-K527 PolarHBondContact O-N 3.35Å; E525-I528 CarbonylContact O-C 3.58Å; E525-I528 PolarHBondContact O-N 2.9Å; E525-Q529 WeakPolarHBondContact O-CG 3.41Å; E525-Q529 PolarHBondContact O-N 2.98Å |
| 526 | D | 70.4 | Confident | 69.4 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.8 | -33.4 | -179.9 | -71.2 | -24.3 | 0 | 0 | 0 | 112.7 | T524 Q529 L530 | T524-D526 PolarHBondContact O-N 3.17Å; D526-Q529 PolarHBondContact OD1-NE2 2.84Å; D526-L530 PolarHBondContact O-N 3.33Å |
| 527 | K | 73.4 | Confident | 71.3 | Confident | 149 Ų | 149 | 105 Ų | 105 | 65% | 0.648 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.4 | -38 | 174.3 | -65.7 | 179.1 | -178.9 | 174.7 | 0 | 110.7 | T524 E525 L530 I531 | T524-K527 WeakPolarHBondContact O-CB 3.36Å; T524-K527 PolarHBondContact O-N 3.45Å; E525-K527 VanDerWaalsContact C-N 3.34Å; E525-K527 PolarHBondContact O-N 3.35Å; K527-L530 PolarHBondContact O-N 2.81Å; K527-I531 WeakPolarHBondContact O-CB 3.37Å; K527-I531 VanDerWaalsContact O-CG1 3.26Å; K527-I531 WeakPolarHBondContact O-CG1 3.46Å; K527-I531 PolarHBondContact O-N 2.89Å |
| 528 | I | 75.4 | Confident | 72.9 | Confident | 78 Ų | 78 | 103.3 Ų | 103.3 | 40% | 0.4 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 173.3 | -68.6 | 164.3 | 0 | 0 | 0 | 110.1 | T524 E525 L530 I531 E532 | T524-I528 WeakPolarHBondContact O-CG1 3.18Å; T524-I528 PolarHBondContact O-N 2.9Å; E525-I528 CarbonylContact O-C 3.58Å; E525-I528 PolarHBondContact O-N 2.9Å; I528-L530 PolarHBondContact O-N 3.33Å; I528-I531 PolarHBondContact O-N 3.38Å; I528-E532 WeakPolarHBondContact O-CB 3.45Å; I528-E532 WeakPolarHBondContact O-CG 3.34Å; I528-E532 PolarHBondContact O-N 3.44Å |
| 529 | Q | 81.4 | Confident | 74.8 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 174.1 | -75.6 | 174.6 | 65.2 | 0 | 0 | 112.9 | E525 D526 E532 K533 | E525-Q529 WeakPolarHBondContact O-CG 3.41Å; E525-Q529 PolarHBondContact O-N 2.98Å; D526-Q529 PolarHBondContact OD1-NE2 2.84Å; Q529-E532 PolarHBondContact O-N 2.83Å; Q529-K533 WeakPolarHBondContact O-CB 3.19Å; Q529-K533 PolarHBondContact O-N 2.88Å |
| 530 | L | 81.3 | Confident | 76.6 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 174.5 | -175.9 | 62.3 | 0 | 0 | 0 | 111.5 | D526 K527 I528 K533 E534 | D526-L530 PolarHBondContact O-N 3.33Å; K527-L530 PolarHBondContact O-N 2.81Å; I528-L530 PolarHBondContact O-N 3.33Å; L530-K533 PolarHBondContact O-N 2.73Å; L530-E534 PolarHBondContact O-N 2.99Å |
| 531 | I | 82.7 | Confident | 79.1 | Confident | 110 Ų | 110 | 103.2 Ų | 103.2 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | 175.4 | -68.9 | 165 | 0 | 0 | 0 | 110.8 | K527 I528 K533 E534 M535 | K527-I531 WeakPolarHBondContact O-CB 3.37Å; K527-I531 VanDerWaalsContact O-CG1 3.26Å; K527-I531 WeakPolarHBondContact O-CG1 3.46Å; K527-I531 PolarHBondContact O-N 2.89Å; I528-I531 PolarHBondContact O-N 3.38Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3Å; I531-E534 PolarHBondContact O-N 2.85Å; I531-M535 WeakPolarHBondContact O-CB 3.46Å; I531-M535 PolarHBondContact O-N 2.91Å |
| 532 | E | 84.3 | Confident | 80.9 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 172.4 | -87.9 | -155 | 166.1 | 0 | 0 | 111.6 | I528 Q529 M535 K536 | I528-E532 WeakPolarHBondContact O-CB 3.45Å; I528-E532 WeakPolarHBondContact O-CG 3.34Å; I528-E532 PolarHBondContact O-N 3.44Å; Q529-E532 PolarHBondContact O-N 2.83Å; E532-M535 PolarHBondContact O-N 3.47Å; E532-K536 WeakPolarHBondContact O-CB 3.29Å; E532-K536 VanDerWaalsContact O-CD 3.23Å; E532-K536 WeakPolarHBondContact O-CD 3.32Å; E532-K536 WeakPolarHBondContact O-CG 3.36Å; E532-K536 PolarHBondContact O-N 3.41Å; E532-K536 IonicContact OE2-NZ 2.84Å; E532-K536 PolarHBondContact OE2-NZ 3.42Å |
| 533 | K | 90.5 | Very high | 82.6 | Confident | 116 Ų | 116 | 103.2 Ų | 103.2 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -46.4 | 178 | -175.7 | 176.4 | 179.7 | -74.3 | 0 | 110.9 | Q529 L530 I531 M535 K536 E537 | Q529-K533 WeakPolarHBondContact O-CB 3.19Å; Q529-K533 PolarHBondContact O-N 2.88Å; L530-K533 PolarHBondContact O-N 2.73Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3Å; K533-M535 VanDerWaalsContact C-N 3.34Å; K533-M535 PolarHBondContact O-N 3.5Å; K533-K536 PolarHBondContact O-N 3.35Å; K533-E537 WeakPolarHBondContact CE-OE1 3.38Å; K533-E537 IonicContact NZ-OE1 3.55Å; K533-E537 PolarHBondContact NZ-OE1 2.96Å; K533-E537 WeakPolarHBondContact O-CG 3.27Å; K533-E537 PolarHBondContact O-N 3.48Å |
| 534 | E | 89.7 | Confident | 84.4 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.6 | -168.8 | -179.7 | 165.1 | 0 | 0 | 111.3 | L530 I531 K536 E537 Q538 | L530-E534 PolarHBondContact O-N 2.99Å; I531-E534 PolarHBondContact O-N 2.85Å; E534-K536 VanDerWaalsContact C-N 3.35Å; E534-K536 PolarHBondContact O-N 3.14Å; E534-E537 PolarHBondContact O-N 3.45Å; E534-Q538 HydrophobicContact CG-CG 4.39Å; E534-Q538 WeakPolarHBondContact O-CB 3.29Å; E534-Q538 WeakPolarHBondContact O-CG 3.41Å; E534-Q538 PolarHBondContact O-N 3.33Å; E534-Q538 PolarHBondContact OE1-NE2 3.1Å |
| 535 | M | 88 | Confident | 86.2 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 175.6 | -172.6 | -180 | 75.3 | 0 | 0 | 112 | I531 E532 K533 Q538 E539 | I531-M535 WeakPolarHBondContact O-CB 3.46Å; I531-M535 PolarHBondContact O-N 2.91Å; E532-M535 PolarHBondContact O-N 3.47Å; K533-M535 VanDerWaalsContact C-N 3.34Å; K533-M535 PolarHBondContact O-N 3.5Å; M535-Q538 PolarHBondContact O-N 3.17Å; M535-E539 VanDerWaalsContact O-CB 3.28Å; M535-E539 WeakPolarHBondContact O-CB 3.48Å; M535-E539 WeakPolarHBondContact O-CG 3.35Å; M535-E539 PolarHBondContact O-N 2.86Å |
| 536 | K | 91.3 | Very high | 87.7 | Confident | 104 Ų | 104 | 106 Ų | 106 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 174.8 | -72 | 158.7 | -164 | 169 | 0 | 112.2 | E532 K533 E534 M540 | E532-K536 WeakPolarHBondContact O-CB 3.29Å; E532-K536 VanDerWaalsContact O-CD 3.23Å; E532-K536 WeakPolarHBondContact O-CD 3.32Å; E532-K536 WeakPolarHBondContact O-CG 3.36Å; E532-K536 PolarHBondContact O-N 3.41Å; E532-K536 IonicContact OE2-NZ 2.84Å; E532-K536 PolarHBondContact OE2-NZ 3.42Å; K533-K536 PolarHBondContact O-N 3.35Å; E534-K536 VanDerWaalsContact C-N 3.35Å; E534-K536 PolarHBondContact O-N 3.14Å; K536-M540 WeakPolarHBondContact O-CB 3.32Å; K536-M540 PolarHBondContact O-N 3.02Å |
| 537 | E | 91.9 | Very high | 88.8 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71 | -44 | 173.9 | -72.9 | 171.2 | -162.6 | 0 | 0 | 111.5 | K533 E534 M540 L541 | K533-E537 WeakPolarHBondContact CE-OE1 3.38Å; K533-E537 IonicContact NZ-OE1 3.55Å; K533-E537 PolarHBondContact NZ-OE1 2.96Å; K533-E537 WeakPolarHBondContact O-CG 3.27Å; K533-E537 PolarHBondContact O-N 3.48Å; E534-E537 PolarHBondContact O-N 3.45Å; E537-M540 WeakPolarHBondContact O-CB 3.46Å; E537-M540 PolarHBondContact O-N 3.49Å; E537-L541 PolarHBondContact O-N 3.13Å |
| 538 | Q | 89.8 | Confident | 89.7 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 173.2 | -69.4 | -177.4 | 17.5 | 0 | 0 | 112 | E534 M535 M540 L541 L542 | E534-Q538 HydrophobicContact CG-CG 4.39Å; E534-Q538 WeakPolarHBondContact O-CB 3.29Å; E534-Q538 WeakPolarHBondContact O-CG 3.41Å; E534-Q538 PolarHBondContact O-N 3.33Å; E534-Q538 PolarHBondContact OE1-NE2 3.1Å; M535-Q538 PolarHBondContact O-N 3.17Å; Q538-M540 VanDerWaalsContact C-N 3.33Å; Q538-M540 PolarHBondContact O-N 3.09Å; Q538-L541 PolarHBondContact O-N 2.61Å; Q538-L542 WeakPolarHBondContact O-CB 3.38Å; Q538-L542 PolarHBondContact O-N 2.91Å |
| 539 | E | 91.8 | Very high | 90.5 | Very high | 79 Ų | 79 | 106 Ų | 106 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 172.2 | -90.3 | -168.7 | -136.4 | 0 | 0 | 112.1 | M535 L542 K543 | M535-E539 VanDerWaalsContact O-CB 3.28Å; M535-E539 WeakPolarHBondContact O-CB 3.48Å; M535-E539 WeakPolarHBondContact O-CG 3.35Å; M535-E539 PolarHBondContact O-N 2.86Å; E539-L542 PolarHBondContact O-N 3.23Å; E539-K543 WeakPolarHBondContact O-CB 3.39Å; E539-K543 VanDerWaalsContact O-CD 3.32Å; E539-K543 WeakPolarHBondContact O-CD 3.27Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 3.44Å; E539-K543 IonicContact OE2-NZ 2.6Å; E539-K543 PolarHBondContact OE2-NZ 3.03Å |
| 540 | M | 93.8 | Very high | 91.2 | Very high | 138 Ų | 138 | 107.3 Ų | 107.3 | 68% | 0.68 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 177.7 | -168.8 | -172.8 | -54.3 | 0 | 0 | 110.8 | K536 E537 Q538 K543 G544 | K536-M540 WeakPolarHBondContact O-CB 3.32Å; K536-M540 PolarHBondContact O-N 3.02Å; E537-M540 WeakPolarHBondContact O-CB 3.46Å; E537-M540 PolarHBondContact O-N 3.49Å; Q538-M540 VanDerWaalsContact C-N 3.33Å; Q538-M540 PolarHBondContact O-N 3.09Å; M540-K543 PolarHBondContact O-N 3.07Å; M540-G544 PolarHBondContact O-N 3.49Å |
| 541 | L | 95.4 | Very high | 91.9 | Very high | 103 Ų | 103 | 108.1 Ų | 108.1 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.2 | -176.3 | 62.3 | 0 | 0 | 0 | 111.8 | E537 Q538 K543 G544 Y545 | E537-L541 PolarHBondContact O-N 3.13Å; Q538-L541 PolarHBondContact O-N 2.61Å; L541-K543 PolarHBondContact O-N 2.95Å; L541-G544 PolarHBondContact O-N 3.38Å; L541-Y545 HydrophobicContact CD1-CD2 4.11Å; L541-Y545 HydrophobicContact CD1-CE2 3.62Å; L541-Y545 HydrophobicContact CD2-CE2 4.09Å; L541-Y545 HydrophobicContact CG-CD2 3.93Å; L541-Y545 HydrophobicContact CG-CE2 3.62Å; L541-Y545 WeakPolarHBondContact O-CD2 3.5Å; L541-Y545 PolarHBondContact O-N 3.29Å |
| 542 | L | 94.5 | Very high | 92.4 | Very high | 114 Ų | 114 | 107 Ų | 107 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 177.1 | -160.7 | 80.8 | 0 | 0 | 0 | 111.5 | Q538 E539 G544 Y545 Q546 | Q538-L542 WeakPolarHBondContact O-CB 3.38Å; Q538-L542 PolarHBondContact O-N 2.91Å; E539-L542 PolarHBondContact O-N 3.23Å; L542-G544 VanDerWaalsContact C-N 3.33Å; L542-Y545 PolarHBondContact O-N 3.37Å; L542-Q546 VanDerWaalsContact O-CB 3.28Å; L542-Q546 WeakPolarHBondContact O-CB 3.38Å; L542-Q546 PolarHBondContact O-N 3.36Å |
| 543 | K | 94.6 | Very high | 93 | Very high | 104 Ų | 104 | 108.8 Ų | 108.8 | 45% | 0.452 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 173.9 | -72.6 | 160.8 | -167.6 | 164.7 | 0 | 111.6 | E539 M540 L541 Q546 Q547 | E539-K543 WeakPolarHBondContact O-CB 3.39Å; E539-K543 VanDerWaalsContact O-CD 3.32Å; E539-K543 WeakPolarHBondContact O-CD 3.27Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 3.44Å; E539-K543 IonicContact OE2-NZ 2.6Å; E539-K543 PolarHBondContact OE2-NZ 3.03Å; M540-K543 PolarHBondContact O-N 3.07Å; L541-K543 PolarHBondContact O-N 2.95Å; K543-Q546 PolarHBondContact O-N 3.41Å; K543-Q547 VanDerWaalsContact O-CG 3.31Å; K543-Q547 WeakPolarHBondContact O-CG 3.38Å; K543-Q547 PolarHBondContact O-N 3.25Å |
| 544 | G | 93.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 107.6 Ų | 107.6 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -54.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M540 L541 L542 Q546 Q547 E548 | M540-G544 PolarHBondContact O-N 3.49Å; L541-G544 PolarHBondContact O-N 3.38Å; L542-G544 VanDerWaalsContact C-N 3.33Å; G544-Q546 VanDerWaalsContact C-N 3.27Å; G544-Q546 PolarHBondContact O-N 3.43Å; G544-Q547 PolarHBondContact O-N 3.47Å; G544-E548 PolarHBondContact O-N 3.32Å |
| 545 | Y | 95 | Very high | 93.5 | Very high | 128 Ų | 128 | 107.7 Ų | 107.7 | 50% | 0.502 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -32.7 | 175.9 | -74.8 | -52 | 0 | 0 | 0 | 113 | L541 L542 E548 N549 | L541-Y545 HydrophobicContact CD1-CD2 4.11Å; L541-Y545 HydrophobicContact CD1-CE2 3.62Å; L541-Y545 HydrophobicContact CD2-CE2 4.09Å; L541-Y545 HydrophobicContact CG-CD2 3.93Å; L541-Y545 HydrophobicContact CG-CE2 3.62Å; L541-Y545 WeakPolarHBondContact O-CD2 3.5Å; L541-Y545 PolarHBondContact O-N 3.29Å; L542-Y545 PolarHBondContact O-N 3.37Å; Y545-E548 PolarHBondContact O-N 3.3Å; Y545-N549 VanDerWaalsContact O-CB 3.26Å; Y545-N549 WeakPolarHBondContact O-CB 3.39Å; Y545-N549 VanDerWaalsContact O-CG 3.3Å; Y545-N549 PolarHBondContact O-N 2.9Å; Y545-N549 PolarHBondContact O-ND2 3.42Å |
| 546 | Q | 92.7 | Very high | 93.8 | Very high | 131 Ų | 131 | 108.8 Ų | 108.8 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.5 | -37.9 | 177.9 | -170.3 | 163.4 | -5.2 | 0 | 0 | 111.9 | L542 K543 G544 E550 | L542-Q546 VanDerWaalsContact O-CB 3.28Å; L542-Q546 WeakPolarHBondContact O-CB 3.38Å; L542-Q546 PolarHBondContact O-N 3.36Å; K543-Q546 PolarHBondContact O-N 3.41Å; G544-Q546 VanDerWaalsContact C-N 3.27Å; G544-Q546 PolarHBondContact O-N 3.43Å; Q546-E550 WeakPolarHBondContact O-CB 3.44Å; Q546-E550 PolarHBondContact O-N 3.49Å |
| 547 | Q | 94.2 | Very high | 94 | Very high | 136 Ų | 136 | 108.7 Ų | 108.7 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 171.3 | -71.3 | 171.4 | 20.8 | 0 | 0 | 112 | K543 G544 E550 K551 | K543-Q547 VanDerWaalsContact O-CG 3.31Å; K543-Q547 WeakPolarHBondContact O-CG 3.38Å; K543-Q547 PolarHBondContact O-N 3.25Å; G544-Q547 PolarHBondContact O-N 3.47Å; Q547-E550 PolarHBondContact O-N 2.96Å; Q547-K551 WeakPolarHBondContact O-CB 3.46Å; Q547-K551 PolarHBondContact O-N 2.79Å |
| 548 | E | 93 | Very high | 94.1 | Very high | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 176.2 | -175.7 | 165.7 | -139.2 | 0 | 0 | 111.7 | G544 Y545 E550 K551 L552 | G544-E548 PolarHBondContact O-N 3.32Å; Y545-E548 PolarHBondContact O-N 3.3Å; E548-E550 PolarHBondContact O-N 3.46Å; E548-K551 PolarHBondContact O-N 3.4Å; E548-L552 HydrophobicContact CG-CD1 4.03Å; E548-L552 HydrophobicContact CG-CG 4.44Å; E548-L552 WeakPolarHBondContact O-CB 3.3Å; E548-L552 VanDerWaalsContact O-CG 3.29Å; E548-L552 WeakPolarHBondContact O-CG 3.27Å; E548-L552 PolarHBondContact O-N 3.4Å |
| 549 | N | 91.9 | Very high | 94.2 | Very high | 101 Ų | 101 | 105.7 Ų | 105.7 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.9 | -78.7 | -56.5 | 0 | 0 | 0 | 112.5 | Y545 L552 Y553 | Y545-N549 VanDerWaalsContact O-CB 3.26Å; Y545-N549 WeakPolarHBondContact O-CB 3.39Å; Y545-N549 VanDerWaalsContact O-CG 3.3Å; Y545-N549 PolarHBondContact O-N 2.9Å; Y545-N549 PolarHBondContact O-ND2 3.42Å; N549-L552 PolarHBondContact O-N 2.81Å; N549-Y553 WeakPolarHBondContact O-CB 3.44Å; N549-Y553 PolarHBondContact O-N 2.94Å |
| 550 | E | 94.8 | Very high | 94.2 | Very high | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -45.9 | 173.8 | -177.4 | 171.7 | -159.8 | 0 | 0 | 111.1 | Q546 Q547 E548 Y553 V554 | Q546-E550 WeakPolarHBondContact O-CB 3.44Å; Q546-E550 PolarHBondContact O-N 3.49Å; Q547-E550 PolarHBondContact O-N 2.96Å; E548-E550 PolarHBondContact O-N 3.46Å; E550-Y553 PolarHBondContact O-N 3.41Å; E550-V554 WeakPolarHBondContact O-CG2 3.45Å; E550-V554 PolarHBondContact O-N 3.4Å |
| 551 | K | 96.3 | Very high | 94.1 | Very high | 137 Ų | 137 | 105.1 Ų | 105.1 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.3 | -50.2 | 174.5 | -178.3 | -164.4 | 166.9 | -158.6 | 0 | 111.4 | Q547 E548 Y553 V554 E555 | Q547-K551 WeakPolarHBondContact O-CB 3.46Å; Q547-K551 PolarHBondContact O-N 2.79Å; E548-K551 PolarHBondContact O-N 3.4Å; K551-Y553 VanDerWaalsContact C-N 3.28Å; K551-Y553 PolarHBondContact O-N 2.91Å; K551-V554 PolarHBondContact O-N 2.81Å; K551-E555 WeakPolarHBondContact O-CB 3.43Å; K551-E555 PolarHBondContact O-N 3.1Å |
| 552 | L | 94.6 | Very high | 94 | Very high | 85 Ų | 85 | 107 Ų | 107 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 178.3 | -72.4 | 171.2 | 0 | 0 | 0 | 112 | E548 N549 E555 M556 | E548-L552 HydrophobicContact CG-CD1 4.03Å; E548-L552 HydrophobicContact CG-CG 4.44Å; E548-L552 WeakPolarHBondContact O-CB 3.3Å; E548-L552 VanDerWaalsContact O-CG 3.29Å; E548-L552 WeakPolarHBondContact O-CG 3.27Å; E548-L552 PolarHBondContact O-N 3.4Å; N549-L552 PolarHBondContact O-N 2.81Å; L552-E555 PolarHBondContact O-N 3.38Å; L552-M556 WeakPolarHBondContact O-CB 3.12Å; L552-M556 PolarHBondContact O-N 2.86Å |
| 553 | Y | 96.4 | Very high | 93.8 | Very high | 124 Ų | 124 | 105 Ų | 105 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 175.8 | -173.8 | -109.1 | 0 | 0 | 0 | 112.8 | N549 E550 K551 M556 K557 | N549-Y553 WeakPolarHBondContact O-CB 3.44Å; N549-Y553 PolarHBondContact O-N 2.94Å; E550-Y553 PolarHBondContact O-N 3.41Å; K551-Y553 VanDerWaalsContact C-N 3.28Å; K551-Y553 PolarHBondContact O-N 2.91Å; Y553-M556 HydrophobicContact CD2-CE 4.32Å; Y553-M556 HydrophobicContact CD2-SD 4.41Å; Y553-K557 HydrophobicContact CD1-CD 4.44Å; Y553-K557 HydrophobicContact CE1-CD 3.99Å; Y553-K557 VanDerWaalsContact CE1-CE 3.47Å; Y553-K557 WeakPolarHBondContact O-CB 3.23Å; Y553-K557 PolarHBondContact O-N 2.85Å; Y553-K557 WeakPolarHBondContact OH-CE 3.46Å; Y553-K557 PolarHBondContact OH-NZ 3.32Å |
| 554 | V | 95.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 105.7 Ų | 105.7 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 170.7 | 170.1 | 0 | 0 | 0 | 0 | 111 | E550 K551 K557 A558 | E550-V554 WeakPolarHBondContact O-CG2 3.45Å; E550-V554 PolarHBondContact O-N 3.4Å; K551-V554 PolarHBondContact O-N 2.81Å; V554-K557 PolarHBondContact O-N 3.49Å; V554-A558 WeakPolarHBondContact O-CB 3.35Å; V554-A558 PolarHBondContact O-N 3.3Å |
| 555 | E | 93.8 | Very high | 93.8 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 177.9 | -170.6 | 161.3 | -170.5 | 0 | 0 | 111.7 | K551 L552 K557 A558 E559 | K551-E555 WeakPolarHBondContact O-CB 3.43Å; K551-E555 PolarHBondContact O-N 3.1Å; L552-E555 PolarHBondContact O-N 3.38Å; E555-K557 VanDerWaalsContact C-N 3.35Å; E555-K557 PolarHBondContact O-N 3.21Å; E555-A558 WeakPolarHBondContact O-CB 3.21Å; E555-A558 PolarHBondContact O-N 3.02Å; E555-E559 PolarHBondContact O-N 2.95Å |
| 556 | M | 95.9 | Very high | 93.6 | Very high | 117 Ų | 117 | 104.5 Ų | 104.5 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.9 | -44.9 | 170.6 | -175.7 | -157.7 | -54.1 | 0 | 0 | 111.8 | L552 Y553 Q560 | L552-M556 WeakPolarHBondContact O-CB 3.12Å; L552-M556 PolarHBondContact O-N 2.86Å; Y553-M556 HydrophobicContact CD2-CE 4.32Å; Y553-M556 HydrophobicContact CD2-SD 4.41Å; M556-Q560 VanDerWaalsContact O-CB 3.22Å; M556-Q560 WeakPolarHBondContact O-CB 3.43Å; M556-Q560 PolarHBondContact O-N 3.5Å |
| 557 | K | 95.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 104.6 Ų | 104.6 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 176 | -85.1 | -175.5 | 174.7 | 173.4 | 0 | 113 | Y553 V554 E555 S561 | Y553-K557 HydrophobicContact CD1-CD 4.44Å; Y553-K557 HydrophobicContact CE1-CD 3.99Å; Y553-K557 VanDerWaalsContact CE1-CE 3.47Å; Y553-K557 WeakPolarHBondContact O-CB 3.23Å; Y553-K557 PolarHBondContact O-N 2.85Å; Y553-K557 WeakPolarHBondContact OH-CE 3.46Å; Y553-K557 PolarHBondContact OH-NZ 3.32Å; V554-K557 PolarHBondContact O-N 3.49Å; E555-K557 VanDerWaalsContact C-N 3.35Å; E555-K557 PolarHBondContact O-N 3.21Å; K557-S561 WeakPolarHBondContact O-CB 3.41Å; K557-S561 PolarHBondContact O-N 2.97Å; K557-S561 PolarHBondContact O-OG 3.05Å |
| 558 | A | 94.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 102.5 Ų | 102.5 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -51 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | V554 E555 Q560 S561 R562 | V554-A558 WeakPolarHBondContact O-CB 3.35Å; V554-A558 PolarHBondContact O-N 3.3Å; E555-A558 WeakPolarHBondContact O-CB 3.21Å; E555-A558 PolarHBondContact O-N 3.02Å; A558-Q560 PolarHBondContact O-N 3.27Å; A558-S561 PolarHBondContact O-N 3.44Å; A558-S561 VanDerWaalsContact O-N 3.16Å; A558-S561 PolarHBondContact O-OG 3.17Å; A558-R562 WeakPolarHBondContact O-CB 3.37Å; A558-R562 PolarHBondContact O-N 3.49Å |
| 559 | E | 90.2 | Very high | 93.6 | Very high | 97 Ų | 97 | 99.9 Ų | 99.9 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -31.8 | -179.9 | -162.5 | 60.6 | -158.7 | 0 | 0 | 112.3 | E555 R562 S563 | E555-E559 PolarHBondContact O-N 2.95Å; E559-R562 PolarHBondContact O-N 3.07Å; E559-R562 WeakPolarHBondContact OE1-CD 3.43Å; E559-R562 IonicContact OE1-CZ 3.77Å; E559-R562 IonicContact OE1-NH1 2.65Å; E559-R562 PolarHBondContact OE1-NH1 2.97Å; E559-R562 WeakPolarHBondContact OE2-CD 3.44Å; E559-R562 IonicContact OE2-CZ 2.6Å; E559-R562 IonicContact OE2-NE 3.93Å; E559-R562 IonicContact OE2-NH1 3.24Å; E559-R562 PolarHBondContact OE2-NH1 3.32Å; E559-S563 VanDerWaalsContact O-CB 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.19Å; E559-S563 PolarHBondContact O-N 3.25Å |
| 560 | Q | 92.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 100.3 Ų | 100.3 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 168.5 | -172 | -177.9 | 38.1 | 0 | 0 | 111.6 | M556 A558 R562 S563 K564 | M556-Q560 VanDerWaalsContact O-CB 3.22Å; M556-Q560 WeakPolarHBondContact O-CB 3.43Å; M556-Q560 PolarHBondContact O-N 3.5Å; A558-Q560 PolarHBondContact O-N 3.27Å; Q560-R562 VanDerWaalsContact C-N 3.34Å; Q560-S563 PolarHBondContact O-N 2.96Å; Q560-K564 WeakPolarHBondContact O-CB 3.46Å; Q560-K564 PolarHBondContact O-N 2.81Å |
| 561 | S | 91.1 | Very high | 93.1 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 177 | 78.8 | 0 | 0 | 0 | 0 | 112 | K557 A558 K564 A565 | K557-S561 WeakPolarHBondContact O-CB 3.41Å; K557-S561 PolarHBondContact O-N 2.97Å; K557-S561 PolarHBondContact O-OG 3.05Å; A558-S561 PolarHBondContact O-N 3.44Å; A558-S561 VanDerWaalsContact O-N 3.16Å; A558-S561 PolarHBondContact O-OG 3.17Å; S561-K564 PolarHBondContact O-N 3.21Å; S561-A565 WeakPolarHBondContact O-CB 2.95Å; S561-A565 PolarHBondContact O-N 3.25Å |
| 562 | R | 93.6 | Very high | 93 | Very high | 143 Ų | 143 | 98.1 Ų | 98.1 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 174.8 | -169.8 | -168.4 | -173.1 | -175.5 | 0.2 | 111.8 | A558 E559 Q560 K564 A565 N566 | A558-R562 WeakPolarHBondContact O-CB 3.37Å; A558-R562 PolarHBondContact O-N 3.49Å; E559-R562 PolarHBondContact O-N 3.07Å; E559-R562 WeakPolarHBondContact OE1-CD 3.43Å; E559-R562 IonicContact OE1-CZ 3.77Å; E559-R562 IonicContact OE1-NH1 2.65Å; E559-R562 PolarHBondContact OE1-NH1 2.97Å; E559-R562 WeakPolarHBondContact OE2-CD 3.44Å; E559-R562 IonicContact OE2-CZ 2.6Å; E559-R562 IonicContact OE2-NE 3.93Å; E559-R562 IonicContact OE2-NH1 3.24Å; E559-R562 PolarHBondContact OE2-NH1 3.32Å; Q560-R562 VanDerWaalsContact C-N 3.34Å; R562-K564 VanDerWaalsContact C-N 3.35Å; R562-A565 PolarHBondContact O-N 3.32Å; R562-N566 WeakPolarHBondContact O-CB 3.45Å; R562-N566 PolarHBondContact O-N 3.43Å; R562-N566 PolarHBondContact O-ND2 3.43Å; R562-N566 PolarHBondContact O-OD1 3.5Å |
| 563 | S | 89.3 | Confident | 92.9 | Very high | 72 Ų | 72 | 99.8 Ų | 99.8 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | E559 Q560 N566 Q567 | E559-S563 VanDerWaalsContact O-CB 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.19Å; E559-S563 PolarHBondContact O-N 3.25Å; Q560-S563 PolarHBondContact O-N 2.96Å; S563-N566 PolarHBondContact O-N 2.74Å; S563-Q567 WeakPolarHBondContact O-CB 3.34Å; S563-Q567 PolarHBondContact O-N 2.77Å |
| 564 | K | 95.6 | Very high | 92.6 | Very high | 119 Ų | 119 | 98.4 Ų | 98.4 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173 | -171.3 | 176.2 | -172.1 | -99.3 | 0 | 112.4 | Q560 S561 R562 N566 Q567 E568 | Q560-K564 WeakPolarHBondContact O-CB 3.46Å; Q560-K564 PolarHBondContact O-N 2.81Å; S561-K564 PolarHBondContact O-N 3.21Å; R562-K564 VanDerWaalsContact C-N 3.35Å; K564-N566 VanDerWaalsContact C-N 3.33Å; K564-N566 PolarHBondContact O-N 3.34Å; K564-Q567 WeakPolarHBondContact O-CB 3.24Å; K564-Q567 PolarHBondContact O-N 2.9Å; K564-E568 VanDerWaalsContact CE-OE1 3.29Å; K564-E568 WeakPolarHBondContact CE-OE1 3.25Å; K564-E568 HydrophobicContact CG-CG 4.49Å; K564-E568 IonicContact NZ-OE1 2.69Å; K564-E568 PolarHBondContact NZ-OE1 2.83Å; K564-E568 WeakPolarHBondContact O-CB 3.48Å; K564-E568 WeakPolarHBondContact O-CG 3.47Å; K564-E568 PolarHBondContact O-N 3.5Å |
| 565 | A | 94.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 99.7 Ų | 99.7 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | S561 R562 E568 A569 | S561-A565 WeakPolarHBondContact O-CB 2.95Å; S561-A565 PolarHBondContact O-N 3.25Å; R562-A565 PolarHBondContact O-N 3.32Å; A565-E568 PolarHBondContact O-N 3.25Å; A565-A569 VanDerWaalsContact O-CB 3.32Å; A565-A569 WeakPolarHBondContact O-CB 3.49Å; A565-A569 PolarHBondContact O-N 3.44Å |
| 566 | N | 90.4 | Very high | 92.5 | Very high | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 172.3 | -68 | -15.6 | 0 | 0 | 0 | 111.3 | R562 S563 K564 A569 M570 | R562-N566 WeakPolarHBondContact O-CB 3.45Å; R562-N566 PolarHBondContact O-N 3.43Å; R562-N566 PolarHBondContact O-ND2 3.43Å; R562-N566 PolarHBondContact O-OD1 3.5Å; S563-N566 PolarHBondContact O-N 2.74Å; K564-N566 VanDerWaalsContact C-N 3.33Å; K564-N566 PolarHBondContact O-N 3.34Å; N566-A569 PolarHBondContact O-N 2.88Å; N566-M570 WeakPolarHBondContact O-CB 3.32Å; N566-M570 WeakPolarHBondContact O-CG 3.18Å; N566-M570 PolarHBondContact O-N 2.91Å |
| 567 | Q | 91 | Very high | 92.4 | Very high | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 175.9 | -170.7 | -179.1 | 14.7 | 0 | 0 | 111.9 | S563 K564 F571 | S563-Q567 WeakPolarHBondContact O-CB 3.34Å; S563-Q567 PolarHBondContact O-N 2.77Å; K564-Q567 WeakPolarHBondContact O-CB 3.24Å; K564-Q567 PolarHBondContact O-N 2.9Å; Q567-F571 VanDerWaalsContact O-CB 3.28Å; Q567-F571 WeakPolarHBondContact O-CB 3.36Å; Q567-F571 PolarHBondContact O-N 3.19Å |
| 568 | E | 94.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 98.6 Ų | 98.6 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 174.7 | -73.4 | 174.3 | -179.8 | 0 | 0 | 111.4 | K564 A565 F571 N572 | K564-E568 VanDerWaalsContact CE-OE1 3.29Å; K564-E568 WeakPolarHBondContact CE-OE1 3.25Å; K564-E568 HydrophobicContact CG-CG 4.49Å; K564-E568 IonicContact NZ-OE1 2.69Å; K564-E568 PolarHBondContact NZ-OE1 2.83Å; K564-E568 WeakPolarHBondContact O-CB 3.48Å; K564-E568 WeakPolarHBondContact O-CG 3.47Å; K564-E568 PolarHBondContact O-N 3.5Å; A565-E568 PolarHBondContact O-N 3.25Å; E568-F571 PolarHBondContact O-N 3.43Å; E568-N572 WeakPolarHBondContact O-CB 3.28Å; E568-N572 PolarHBondContact O-N 2.81Å; E568-N572 PolarHBondContact O-ND2 2.87Å; E568-N572 VanDerWaalsContact O-ND2 3.13Å |
| 569 | A | 93.6 | Very high | 92 | Very high | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A565 N566 F571 N572 E573 | A565-A569 VanDerWaalsContact O-CB 3.32Å; A565-A569 WeakPolarHBondContact O-CB 3.49Å; A565-A569 PolarHBondContact O-N 3.44Å; N566-A569 PolarHBondContact O-N 2.88Å; A569-F571 VanDerWaalsContact C-N 3.31Å; A569-F571 PolarHBondContact O-N 3.46Å; A569-N572 PolarHBondContact O-N 2.82Å; A569-E573 WeakPolarHBondContact O-CB 3.23Å; A569-E573 PolarHBondContact O-N 3.4Å |
| 570 | M | 81.9 | Confident | 92.1 | Very high | 110 Ų | 110 | 98.8 Ų | 98.8 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 175.8 | -71.4 | -175 | -66.5 | 0 | 0 | 112.4 | N566 N574 | N566-M570 WeakPolarHBondContact O-CB 3.32Å; N566-M570 WeakPolarHBondContact O-CG 3.18Å; N566-M570 PolarHBondContact O-N 2.91Å; M570-N574 WeakPolarHBondContact O-CB 3.38Å; M570-N574 PolarHBondContact O-N 3.41Å; M570-N574 PolarHBondContact O-ND2 3.13Å |
| 571 | F | 94.6 | Very high | 92 | Very high | 129 Ų | 129 | 96.6 Ų | 96.6 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.7 | -45.9 | 174.3 | 178.8 | -92.7 | 0 | 0 | 0 | 111.5 | Q567 E568 A569 N574 Q575 | Q567-F571 VanDerWaalsContact O-CB 3.28Å; Q567-F571 WeakPolarHBondContact O-CB 3.36Å; Q567-F571 PolarHBondContact O-N 3.19Å; E568-F571 PolarHBondContact O-N 3.43Å; A569-F571 VanDerWaalsContact C-N 3.31Å; A569-F571 PolarHBondContact O-N 3.46Å; F571-N574 PolarHBondContact O-N 3.49Å; F571-Q575 WeakPolarHBondContact O-CB 3.31Å; F571-Q575 PolarHBondContact O-N 3.21Å |
| 572 | N | 94.9 | Very high | 91.8 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 177.7 | -68.4 | -24.3 | 0 | 0 | 0 | 111.5 | E568 A569 Q575 E576 | E568-N572 WeakPolarHBondContact O-CB 3.28Å; E568-N572 PolarHBondContact O-N 2.81Å; E568-N572 PolarHBondContact O-ND2 2.87Å; E568-N572 VanDerWaalsContact O-ND2 3.13Å; A569-N572 PolarHBondContact O-N 2.82Å; N572-Q575 PolarHBondContact O-N 2.85Å; N572-E576 WeakPolarHBondContact O-CB 3.34Å; N572-E576 PolarHBondContact O-N 3.48Å |
| 573 | E | 93.4 | Very high | 91.6 | Very high | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 174.5 | -175.4 | 175.9 | -166.2 | 0 | 0 | 111.4 | A569 Q575 E576 L577 | A569-E573 WeakPolarHBondContact O-CB 3.23Å; A569-E573 PolarHBondContact O-N 3.4Å; E573-Q575 VanDerWaalsContact C-N 3.33Å; E573-Q575 PolarHBondContact O-N 3.33Å; E573-E576 PolarHBondContact O-N 3.13Å; E573-L577 HydrophobicContact CG-CD1 4.13Å; E573-L577 HydrophobicContact CG-CG 4.49Å; E573-L577 WeakPolarHBondContact O-CB 3.39Å; E573-L577 VanDerWaalsContact O-CG 3.27Å; E573-L577 WeakPolarHBondContact O-CG 3.39Å; E573-L577 PolarHBondContact O-N 2.86Å |
| 574 | N | 88.8 | Confident | 91.2 | Very high | 95 Ų | 95 | 92.4 Ų | 92.4 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 173.8 | -85.8 | -83.7 | 0 | 0 | 0 | 112.3 | M570 F571 L578 | M570-N574 WeakPolarHBondContact O-CB 3.38Å; M570-N574 PolarHBondContact O-N 3.41Å; M570-N574 PolarHBondContact O-ND2 3.13Å; F571-N574 PolarHBondContact O-N 3.49Å; N574-L578 WeakPolarHBondContact O-CB 3.48Å; N574-L578 VanDerWaalsContact O-CG 3.23Å; N574-L578 WeakPolarHBondContact O-CG 3.43Å; N574-L578 PolarHBondContact O-N 3.41Å |
| 575 | Q | 93.3 | Very high | 90.6 | Very high | 117 Ų | 117 | 94.6 Ų | 94.6 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 174.9 | -171 | 176 | 51.8 | 0 | 0 | 111.5 | F571 N572 E573 L578 S579 | F571-Q575 WeakPolarHBondContact O-CB 3.31Å; F571-Q575 PolarHBondContact O-N 3.21Å; N572-Q575 PolarHBondContact O-N 2.85Å; E573-Q575 VanDerWaalsContact C-N 3.33Å; E573-Q575 PolarHBondContact O-N 3.33Å; Q575-L578 PolarHBondContact O-N 3.49Å; Q575-S579 PolarHBondContact O-N 2.95Å |
| 576 | E | 94 | Very high | 89.8 | Confident | 115 Ų | 115 | 96.9 Ų | 96.9 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 175.3 | -160 | -172.5 | 143.1 | 0 | 0 | 111 | N572 E573 L578 S579 Q580 | N572-E576 WeakPolarHBondContact O-CB 3.34Å; N572-E576 PolarHBondContact O-N 3.48Å; E573-E576 PolarHBondContact O-N 3.13Å; E576-L578 VanDerWaalsContact C-N 3.32Å; E576-L578 PolarHBondContact O-N 3.42Å; E576-S579 CarbonylContact O-C 3.57Å; E576-S579 WeakPolarHBondContact O-CA 3.07Å; E576-S579 WeakPolarHBondContact O-CB 3.42Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-S579 PolarHBondContact O-OG 3.46Å; E576-Q580 WeakPolarHBondContact O-CG 3.48Å; E576-Q580 PolarHBondContact O-N 3.43Å; E576-Q580 PolarHBondContact OE1-NE2 3.06Å |
| 577 | L | 93.1 | Very high | 89.1 | Confident | 77 Ų | 77 | 98.3 Ų | 98.3 | 40% | 0.403 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.3 | -41.1 | 174.1 | -72.1 | 170.2 | 0 | 0 | 0 | 112 | E573 S579 Q580 L581 | E573-L577 HydrophobicContact CG-CD1 4.13Å; E573-L577 HydrophobicContact CG-CG 4.49Å; E573-L577 WeakPolarHBondContact O-CB 3.39Å; E573-L577 VanDerWaalsContact O-CG 3.27Å; E573-L577 WeakPolarHBondContact O-CG 3.39Å; E573-L577 PolarHBondContact O-N 2.86Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 3.16Å; L577-Q580 PolarHBondContact O-N 3.3Å; L577-L581 WeakPolarHBondContact O-CB 3.22Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.48Å; L577-L581 PolarHBondContact O-N 3.4Å |
| 578 | L | 90.8 | Very high | 88 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 172 | -76.8 | 168.9 | 0 | 0 | 0 | 112 | N574 Q575 E576 L581 A582 | N574-L578 WeakPolarHBondContact O-CB 3.48Å; N574-L578 VanDerWaalsContact O-CG 3.23Å; N574-L578 WeakPolarHBondContact O-CG 3.43Å; N574-L578 PolarHBondContact O-N 3.41Å; Q575-L578 PolarHBondContact O-N 3.49Å; E576-L578 VanDerWaalsContact C-N 3.32Å; E576-L578 PolarHBondContact O-N 3.42Å; L578-L581 PolarHBondContact O-N 3.04Å; L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 3.29Å |
| 579 | S | 91.6 | Very high | 86.7 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 174.6 | 85.9 | 0 | 0 | 0 | 0 | 112.2 | Q575 E576 L577 A582 V583 | Q575-S579 PolarHBondContact O-N 2.95Å; E576-S579 CarbonylContact O-C 3.57Å; E576-S579 WeakPolarHBondContact O-CA 3.07Å; E576-S579 WeakPolarHBondContact O-CB 3.42Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-S579 PolarHBondContact O-OG 3.46Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 3.16Å; S579-A582 WeakPolarHBondContact O-CB 3.48Å; S579-A582 PolarHBondContact O-N 3.02Å; S579-A582 VanDerWaalsContact O-N 3.17Å; S579-V583 WeakPolarHBondContact O-CG2 3.48Å; S579-V583 PolarHBondContact O-N 3.3Å |
| 580 | Q | 92.6 | Very high | 85.1 | Confident | 94 Ų | 94 | 106.9 Ų | 106.9 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 175.3 | -66.5 | 177.5 | 21.5 | 0 | 0 | 111 | E576 L577 V583 T584 | E576-Q580 WeakPolarHBondContact O-CG 3.48Å; E576-Q580 PolarHBondContact O-N 3.43Å; E576-Q580 PolarHBondContact OE1-NE2 3.06Å; L577-Q580 PolarHBondContact O-N 3.3Å; Q580-V583 PolarHBondContact O-N 2.88Å; Q580-T584 WeakPolarHBondContact O-CB 3.42Å; Q580-T584 WeakPolarHBondContact O-CG2 3.22Å; Q580-T584 PolarHBondContact O-N 3.29Å; Q580-T584 PolarHBondContact O-OG1 2.85Å |
| 581 | L | 89.4 | Confident | 83.8 | Confident | 85 Ų | 85 | 106 Ų | 106 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 170.7 | -74 | 171.4 | 0 | 0 | 0 | 112.4 | L577 L578 T584 R585 | L577-L581 WeakPolarHBondContact O-CB 3.22Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.48Å; L577-L581 PolarHBondContact O-N 3.4Å; L578-L581 PolarHBondContact O-N 3.04Å; L581-T584 WeakPolarHBondContact CA-OG1 3.28Å; L581-T584 PolarHBondContact O-OG1 3.3Å; L581-R585 VanDerWaalsContact O-CB 3.27Å; L581-R585 WeakPolarHBondContact O-CB 3.47Å; L581-R585 VanDerWaalsContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CG 3.47Å; L581-R585 PolarHBondContact O-N 3.45Å; L581-R585 VanDerWaalsContact O-N 3.08Å |
| 582 | A | 88.5 | Confident | 81.4 | Confident | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -47.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L578 S579 R585 E586 | L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 3.29Å; S579-A582 WeakPolarHBondContact O-CB 3.48Å; S579-A582 PolarHBondContact O-N 3.02Å; S579-A582 VanDerWaalsContact O-N 3.17Å; A582-R585 PolarHBondContact O-N 3.26Å; A582-E586 WeakPolarHBondContact O-CB 3.18Å; A582-E586 PolarHBondContact O-N 2.96Å |
| 583 | V | 87.8 | Confident | 79.1 | Confident | 72 Ų | 72 | 110.7 Ų | 110.7 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 178.3 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | S579 Q580 E586 Q587 | S579-V583 WeakPolarHBondContact O-CG2 3.48Å; S579-V583 PolarHBondContact O-N 3.3Å; Q580-V583 PolarHBondContact O-N 2.88Å; V583-E586 PolarHBondContact O-N 3.21Å; V583-Q587 HydrophobicContact CG1-CG 4.48Å; V583-Q587 WeakPolarHBondContact O-CG 3.34Å; V583-Q587 PolarHBondContact O-N 2.83Å |
| 584 | T | 81.9 | Confident | 77.1 | Confident | 71 Ų | 71 | 109.5 Ų | 109.5 | 44% | 0.436 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -39.5 | 177 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | Q580 L581 E586 Q587 L588 | Q580-T584 WeakPolarHBondContact O-CB 3.42Å; Q580-T584 WeakPolarHBondContact O-CG2 3.22Å; Q580-T584 PolarHBondContact O-N 3.29Å; Q580-T584 PolarHBondContact O-OG1 2.85Å; L581-T584 WeakPolarHBondContact CA-OG1 3.28Å; L581-T584 PolarHBondContact O-OG1 3.3Å; T584-E586 VanDerWaalsContact C-N 3.31Å; T584-E586 PolarHBondContact O-N 3Å; T584-Q587 PolarHBondContact O-N 3.07Å; T584-L588 WeakPolarHBondContact O-CB 3.27Å; T584-L588 PolarHBondContact O-N 2.86Å |
| 585 | R | 82.8 | Confident | 74.7 | Confident | 166 Ų | 166 | 111.6 Ų | 111.6 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.3 | -36.4 | 170.5 | -75.2 | 168.9 | 176.4 | 173.2 | -1.4 | 112.3 | L581 A582 R589 | L581-R585 VanDerWaalsContact O-CB 3.27Å; L581-R585 WeakPolarHBondContact O-CB 3.47Å; L581-R585 VanDerWaalsContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CG 3.47Å; L581-R585 PolarHBondContact O-N 3.45Å; L581-R585 VanDerWaalsContact O-N 3.08Å; A582-R585 PolarHBondContact O-N 3.26Å; R585-R589 WeakPolarHBondContact O-CG 3.38Å; R585-R589 PolarHBondContact O-N 3.48Å |
| 586 | E | 78.3 | Confident | 72.2 | Confident | 98 Ų | 98 | 111 Ų | 111 | 46% | 0.458 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.8 | -36.7 | 177.7 | -150.9 | -157.6 | 164.3 | 0 | 0 | 112.3 | A582 V583 T584 L588 R589 K590 | A582-E586 WeakPolarHBondContact O-CB 3.18Å; A582-E586 PolarHBondContact O-N 2.96Å; V583-E586 PolarHBondContact O-N 3.21Å; T584-E586 VanDerWaalsContact C-N 3.31Å; T584-E586 PolarHBondContact O-N 3Å; E586-L588 VanDerWaalsContact C-N 3.33Å; E586-R589 PolarHBondContact O-N 3.03Å; E586-K590 VanDerWaalsContact CD-CE 3.45Å; E586-K590 HydrophobicContact CG-CD 4.5Å; E586-K590 WeakPolarHBondContact O-CB 3.36Å; E586-K590 VanDerWaalsContact O-CG 3.28Å; E586-K590 WeakPolarHBondContact O-CG 3.41Å; E586-K590 PolarHBondContact O-N 2.78Å; E586-K590 WeakPolarHBondContact OE1-CE 3.23Å; E586-K590 IonicContact OE1-NZ 2.7Å; E586-K590 PolarHBondContact OE1-NZ 3.26Å; E586-K590 IonicContact OE2-NZ 2.89Å; E586-K590 PolarHBondContact OE2-NZ 2.85Å |
| 587 | Q | 73.9 | Confident | 70.1 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.3 | -43.4 | 169.5 | -73.9 | 173.6 | 3 | 0 | 0 | 111 | V583 T584 R589 K590 S591 | V583-Q587 HydrophobicContact CG1-CG 4.48Å; V583-Q587 WeakPolarHBondContact O-CG 3.34Å; V583-Q587 PolarHBondContact O-N 2.83Å; T584-Q587 PolarHBondContact O-N 3.07Å; Q587-R589 PolarHBondContact O-N 3.44Å; Q587-K590 PolarHBondContact O-N 3.34Å; Q587-K590 VanDerWaalsContact O-N 3.17Å; Q587-S591 PolarHBondContact O-N 2.82Å |
| 588 | L | 69.4 | Low | 68.2 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.6 | -42.1 | 175.1 | -169.1 | 65.9 | 0 | 0 | 0 | 111.6 | T584 E586 S591 | T584-L588 WeakPolarHBondContact O-CB 3.27Å; T584-L588 PolarHBondContact O-N 2.86Å; E586-L588 VanDerWaalsContact C-N 3.33Å; L588-S591 PolarHBondContact O-N 3.15Å; L588-S591 PolarHBondContact O-OG 2.97Å |
| 589 | R | 66.7 | Low | 66.6 | Low | 196 Ų | 196 | 112.9 Ų | 112.9 | 74% | 0.74 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66 | -35.9 | 172.1 | -75 | 178.7 | 171.1 | -173.5 | -2.6 | 113.5 | R585 E586 Q587 S591 S592 | R585-R589 WeakPolarHBondContact O-CG 3.38Å; R585-R589 PolarHBondContact O-N 3.48Å; E586-R589 PolarHBondContact O-N 3.03Å; Q587-R589 PolarHBondContact O-N 3.44Å; R589-S591 VanDerWaalsContact C-N 3.28Å; R589-S591 PolarHBondContact O-N 3.43Å; R589-S592 PolarHBondContact O-N 3.27Å; R589-S592 VanDerWaalsContact O-N 3.14Å; R589-S592 PolarHBondContact O-OG 2.87Å |
| 590 | K | 59.6 | Low | 64.8 | Low | 138 Ų | 138 | 114.5 Ų | 114.5 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.2 | -28.4 | 175.1 | -75.5 | 164.3 | -178.9 | 164.2 | 0 | 111.9 | E586 Q587 S592 | E586-K590 VanDerWaalsContact CD-CE 3.45Å; E586-K590 HydrophobicContact CG-CD 4.5Å; E586-K590 WeakPolarHBondContact O-CB 3.36Å; E586-K590 VanDerWaalsContact O-CG 3.28Å; E586-K590 WeakPolarHBondContact O-CG 3.41Å; E586-K590 PolarHBondContact O-N 2.78Å; E586-K590 WeakPolarHBondContact OE1-CE 3.23Å; E586-K590 IonicContact OE1-NZ 2.7Å; E586-K590 PolarHBondContact OE1-NZ 3.26Å; E586-K590 IonicContact OE2-NZ 2.89Å; E586-K590 PolarHBondContact OE2-NZ 2.85Å; Q587-K590 PolarHBondContact O-N 3.34Å; Q587-K590 VanDerWaalsContact O-N 3.17Å; K590-S592 PolarHBondContact O-N 3.18Å |
| 591 | S | 53.5 | Low | 63.5 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -8.7 | 171.3 | 80.8 | 0 | 0 | 0 | 0 | 114.5 | Q587 L588 R589 | Q587-S591 PolarHBondContact O-N 2.82Å; L588-S591 PolarHBondContact O-N 3.15Å; L588-S591 PolarHBondContact O-OG 2.97Å; R589-S591 VanDerWaalsContact C-N 3.28Å; R589-S591 PolarHBondContact O-N 3.43Å |
| 592 | S | 46.1 | Very low | 62.6 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | trans | -113.4 | 48.4 | -173.7 | 76.5 | 0 | 0 | 0 | 0 | 114.2 | R589 K590 | R589-S592 PolarHBondContact O-N 3.27Å; R589-S592 VanDerWaalsContact O-N 3.14Å; R589-S592 PolarHBondContact O-OG 2.87Å; K590-S592 PolarHBondContact O-N 3.18Å | ||
| 593 | R | 45.4 | Very low | 61.9 | Low | 232 Ų | 232 | 123.2 Ų | 123.2 | 88% | 0.875 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -121.4 | 145 | 160.1 | -93.3 | -172 | 168.5 | -171.3 | -3.5 | 111.1 | ||
| 594 | P | 52.2 | Low | 61.4 | Low | 95 Ų | 95 | 124.5 Ų | 124.5 | 62% | 0.617 | 63% | 0.629 | S | S | * | * | trans | -92 | 150 | -154.2 | 35 | -36.8 | 0 | 0 | 0 | 114.5 | ||||
| 595 | V | 38.6 | Very low | 61.5 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 84% | 0.842 | 63% | 0.632 | S | S | * | * | trans | -135.9 | 136.2 | 160 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 596 | C | 40.8 | Very low | 61.3 | Low | 103 Ų | 103 | 120.8 Ų | 120.8 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | trans | 68.9 | 138.7 | 178.4 | -145 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 597 | A | 50.1 | Low | 61.8 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -112 | 17.5 | -156.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 598 | M | 52.1 | Low | 62.5 | Low | 154 Ų | 154 | 118.9 Ų | 118.9 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -97.2 | -29.7 | -179.1 | -97.6 | -71.4 | 170.6 | 0 | 0 | 114.7 | ||
| 599 | D | 56.9 | Low | 63.3 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 57% | 0.572 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -86.6 | -15.4 | -175.1 | -60.9 | -51.5 | 0 | 0 | 0 | 113.8 | T601 K602 R603 | D599-T601 PolarHBondContact O-N 3.37Å; D599-K602 PolarHBondContact O-N 3.05Å; D599-R603 WeakPolarHBondContact O-CB 3.21Å; D599-R603 PolarHBondContact O-N 3.37Å |
| 600 | H | 54.3 | Low | 64.2 | Low | 93 Ų | 93 | 110.7 Ų | 110.7 | 43% | 0.431 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.7 | -40.1 | -175.5 | -70.3 | 19.9 | 0 | 0 | 0 | 112.2 | K602 R603 I604 | H600-K602 PolarHBondContact O-N 3.37Å; H600-R603 PolarHBondContact O-N 3.4Å; H600-I604 WeakPolarHBondContact O-CB 3.28Å; H600-I604 WeakPolarHBondContact O-CD1 3.49Å; H600-I604 WeakPolarHBondContact O-CG1 3.43Å; H600-I604 PolarHBondContact O-N 2.95Å |
| 601 | T | 65.7 | Low | 65.6 | Low | 103 Ų | 103 | 108.1 Ų | 108.1 | 63% | 0.632 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.5 | -43.9 | 177.5 | -42.8 | 0 | 0 | 0 | 0 | 111.6 | D599 I604 S605 | D599-T601 PolarHBondContact O-N 3.37Å; T601-I604 PolarHBondContact O-N 3.46Å; T601-S605 PolarHBondContact O-N 3.33Å; T601-S605 PolarHBondContact O-OG 3.48Å |
| 602 | K | 69.6 | Low | 67.4 | Low | 139 Ų | 139 | 107.8 Ų | 107.8 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.1 | -50.4 | 175.1 | -67.6 | 177.8 | -177.5 | 170.7 | 0 | 110.8 | D599 H600 I604 S605 D606 | D599-K602 PolarHBondContact O-N 3.05Å; H600-K602 PolarHBondContact O-N 3.37Å; K602-I604 VanDerWaalsContact C-N 3.27Å; K602-I604 PolarHBondContact O-N 2.97Å; K602-S605 CarbonylContact O-C 3.57Å; K602-S605 WeakPolarHBondContact O-CA 3.49Å; K602-S605 WeakPolarHBondContact O-CB 3.33Å; K602-S605 PolarHBondContact O-N 2.98Å; K602-D606 PolarHBondContact O-N 3.27Å |
| 603 | R | 75.3 | Confident | 69.5 | Low | 178 Ų | 178 | 107 Ų | 107 | 67% | 0.672 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.3 | -30.6 | -179.1 | -163.4 | 171.2 | -171.4 | 167.6 | 2.9 | 113.2 | D599 H600 L607 | D599-R603 WeakPolarHBondContact O-CB 3.21Å; D599-R603 PolarHBondContact O-N 3.37Å; H600-R603 PolarHBondContact O-N 3.4Å; R603-L607 HydrophobicContact CG-CD1 4.41Å; R603-L607 VanDerWaalsContact O-CB 3.31Å; R603-L607 WeakPolarHBondContact O-CB 3.42Å; R603-L607 WeakPolarHBondContact O-CD1 3.46Å; R603-L607 WeakPolarHBondContact O-CG 3.3Å; R603-L607 PolarHBondContact O-N 3Å |
| 604 | I | 76.8 | Confident | 71.4 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.4 | -45.5 | 170.8 | -71.4 | 164.6 | 0 | 0 | 0 | 110.3 | H600 T601 K602 D606 L607 L608 | H600-I604 WeakPolarHBondContact O-CB 3.28Å; H600-I604 WeakPolarHBondContact O-CD1 3.49Å; H600-I604 WeakPolarHBondContact O-CG1 3.43Å; H600-I604 PolarHBondContact O-N 2.95Å; T601-I604 PolarHBondContact O-N 3.46Å; K602-I604 VanDerWaalsContact C-N 3.27Å; K602-I604 PolarHBondContact O-N 2.97Å; I604-D606 VanDerWaalsContact C-N 3.34Å; I604-D606 PolarHBondContact O-N 3.21Å; I604-L607 PolarHBondContact O-N 2.95Å; I604-L608 HydrophobicContact CG2-CD1 3.9Å; I604-L608 HydrophobicContact CG2-CG 4.42Å; I604-L608 WeakPolarHBondContact O-CB 3.37Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 2.88Å |
| 605 | S | 82.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 104.9 Ų | 104.9 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -41.2 | 172.8 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | T601 K602 L608 A609 | T601-S605 PolarHBondContact O-N 3.33Å; T601-S605 PolarHBondContact O-OG 3.48Å; K602-S605 CarbonylContact O-C 3.57Å; K602-S605 WeakPolarHBondContact O-CA 3.49Å; K602-S605 WeakPolarHBondContact O-CB 3.33Å; K602-S605 PolarHBondContact O-N 2.98Å; S605-L608 PolarHBondContact O-N 2.97Å; S605-A609 WeakPolarHBondContact O-CB 3.41Å; S605-A609 PolarHBondContact O-N 3.22Å |
| 606 | D | 80.1 | Confident | 75.7 | Confident | 89 Ų | 89 | 103 Ų | 103 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 177.9 | -61.2 | -34.4 | 0 | 0 | 0 | 111.8 | K602 I604 Q610 | K602-D606 PolarHBondContact O-N 3.27Å; I604-D606 VanDerWaalsContact C-N 3.34Å; I604-D606 PolarHBondContact O-N 3.21Å; D606-Q610 WeakPolarHBondContact O-CB 3.28Å; D606-Q610 VanDerWaalsContact O-CG 3.29Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 3.1Å; D606-Q610 PolarHBondContact O-NE2 3.26Å |
| 607 | L | 88.4 | Confident | 78.1 | Confident | 85 Ų | 85 | 101.9 Ų | 101.9 | 45% | 0.445 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.6 | -39.2 | 173.8 | -76.2 | 169.2 | 0 | 0 | 0 | 111.6 | R603 I604 A609 Q610 I611 | R603-L607 HydrophobicContact CG-CD1 4.41Å; R603-L607 VanDerWaalsContact O-CB 3.31Å; R603-L607 WeakPolarHBondContact O-CB 3.42Å; R603-L607 WeakPolarHBondContact O-CD1 3.46Å; R603-L607 WeakPolarHBondContact O-CG 3.3Å; R603-L607 PolarHBondContact O-N 3Å; I604-L607 PolarHBondContact O-N 2.95Å; L607-A609 VanDerWaalsContact C-N 3.35Å; L607-Q610 CarbonylContact O-C 3.57Å; L607-Q610 PolarHBondContact O-N 2.91Å; L607-I611 WeakPolarHBondContact O-CB 3.46Å; L607-I611 VanDerWaalsContact O-CG1 3.25Å; L607-I611 WeakPolarHBondContact O-CG1 3.4Å; L607-I611 PolarHBondContact O-N 3.34Å |
| 608 | L | 87.8 | Confident | 79.9 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 172.8 | -71.9 | 169.6 | 0 | 0 | 0 | 111.5 | I604 S605 I611 N612 | I604-L608 HydrophobicContact CG2-CD1 3.9Å; I604-L608 HydrophobicContact CG2-CG 4.42Å; I604-L608 WeakPolarHBondContact O-CB 3.37Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 2.88Å; S605-L608 PolarHBondContact O-N 2.97Å; L608-I611 PolarHBondContact O-N 3.07Å; L608-N612 VanDerWaalsContact O-CB 3.31Å; L608-N612 WeakPolarHBondContact O-CB 3.4Å; L608-N612 PolarHBondContact O-N 3.19Å; L608-N612 PolarHBondContact O-ND2 3.5Å |
| 609 | A | 85.9 | Confident | 81.8 | Confident | 49 Ų | 49 | 100 Ų | 100 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S605 L607 T613 | S605-A609 WeakPolarHBondContact O-CB 3.41Å; S605-A609 PolarHBondContact O-N 3.22Å; L607-A609 VanDerWaalsContact C-N 3.35Å; A609-T613 WeakPolarHBondContact O-CB 3.38Å; A609-T613 WeakPolarHBondContact O-CG2 3.31Å; A609-T613 PolarHBondContact O-N 3.43Å; A609-T613 PolarHBondContact O-OG1 2.74Å |
| 610 | Q | 86.9 | Confident | 83.7 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 173.4 | -78.3 | 167 | 81.7 | 0 | 0 | 113 | D606 L607 T613 R614 | D606-Q610 WeakPolarHBondContact O-CB 3.28Å; D606-Q610 VanDerWaalsContact O-CG 3.29Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 3.1Å; D606-Q610 PolarHBondContact O-NE2 3.26Å; L607-Q610 CarbonylContact O-C 3.57Å; L607-Q610 PolarHBondContact O-N 2.91Å; Q610-T613 WeakPolarHBondContact CA-OG1 3.46Å; Q610-T613 PolarHBondContact O-OG1 3.33Å; Q610-R614 VanDerWaalsContact O-CB 3.31Å; Q610-R614 WeakPolarHBondContact O-CB 3.32Å; Q610-R614 VanDerWaalsContact O-CG 3.22Å; Q610-R614 WeakPolarHBondContact O-CG 3.29Å; Q610-R614 PolarHBondContact O-N 2.64Å |
| 611 | I | 89.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -50.2 | 173.5 | -71.3 | 162.4 | 0 | 0 | 0 | 109.7 | L607 L608 T613 R614 Q615 | L607-I611 WeakPolarHBondContact O-CB 3.46Å; L607-I611 VanDerWaalsContact O-CG1 3.25Å; L607-I611 WeakPolarHBondContact O-CG1 3.4Å; L607-I611 PolarHBondContact O-N 3.34Å; L608-I611 PolarHBondContact O-N 3.07Å; I611-T613 VanDerWaalsContact C-N 3.34Å; I611-T613 PolarHBondContact O-N 3.39Å; I611-R614 PolarHBondContact O-N 2.81Å; I611-Q615 HydrophobicContact CG2-CG 4.43Å; I611-Q615 WeakPolarHBondContact O-CB 3.46Å; I611-Q615 WeakPolarHBondContact O-CG 3.43Å; I611-Q615 PolarHBondContact O-N 3.17Å |
| 612 | N | 90.2 | Very high | 86.6 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 178.6 | -72.2 | -21.2 | 0 | 0 | 0 | 112.5 | L608 Q616 | L608-N612 VanDerWaalsContact O-CB 3.31Å; L608-N612 WeakPolarHBondContact O-CB 3.4Å; L608-N612 PolarHBondContact O-N 3.19Å; L608-N612 PolarHBondContact O-ND2 3.5Å; N612-Q616 WeakPolarHBondContact O-CB 3.33Å; N612-Q616 VanDerWaalsContact O-CG 3.28Å; N612-Q616 WeakPolarHBondContact O-CG 3.24Å; N612-Q616 PolarHBondContact O-N 3Å |
| 613 | T | 90.2 | Very high | 87.8 | Confident | 71 Ų | 71 | 99.5 Ų | 99.5 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.2 | -33.7 | 176 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | A609 Q610 I611 N617 | A609-T613 WeakPolarHBondContact O-CB 3.38Å; A609-T613 WeakPolarHBondContact O-CG2 3.31Å; A609-T613 PolarHBondContact O-N 3.43Å; A609-T613 PolarHBondContact O-OG1 2.74Å; Q610-T613 WeakPolarHBondContact CA-OG1 3.46Å; Q610-T613 PolarHBondContact O-OG1 3.33Å; I611-T613 VanDerWaalsContact C-N 3.34Å; I611-T613 PolarHBondContact O-N 3.39Å; T613-N617 WeakPolarHBondContact O-CB 3.38Å; T613-N617 PolarHBondContact O-N 2.97Å; T613-N617 PolarHBondContact O-ND2 3.16Å |
| 614 | R | 85.1 | Confident | 88.6 | Confident | 183 Ų | 183 | 95.9 Ų | 95.9 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 169.6 | -77.4 | 176.7 | -178.4 | -152.7 | -0.2 | 111.5 | Q610 I611 Q616 N617 E618 | Q610-R614 VanDerWaalsContact O-CB 3.31Å; Q610-R614 WeakPolarHBondContact O-CB 3.32Å; Q610-R614 VanDerWaalsContact O-CG 3.22Å; Q610-R614 WeakPolarHBondContact O-CG 3.29Å; Q610-R614 PolarHBondContact O-N 2.64Å; I611-R614 PolarHBondContact O-N 2.81Å; R614-Q616 PolarHBondContact O-N 3.26Å; R614-N617 CarbonylContact O-C 3.53Å; R614-N617 PolarHBondContact O-N 2.99Å; R614-N617 VanDerWaalsContact O-N 3.12Å; R614-E618 WeakPolarHBondContact O-CB 3.35Å; R614-E618 PolarHBondContact O-N 3.38Å |
| 615 | Q | 88.6 | Confident | 89.2 | Confident | 99 Ų | 99 | 95.5 Ų | 95.5 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.7 | -74 | 174.2 | -26.6 | 0 | 0 | 112.1 | I611 N617 E618 T619 | I611-Q615 HydrophobicContact CG2-CG 4.43Å; I611-Q615 WeakPolarHBondContact O-CB 3.46Å; I611-Q615 WeakPolarHBondContact O-CG 3.43Å; I611-Q615 PolarHBondContact O-N 3.17Å; Q615-N617 VanDerWaalsContact C-N 3.31Å; Q615-N617 PolarHBondContact O-N 3.46Å; Q615-E618 WeakPolarHBondContact O-CB 3.45Å; Q615-E618 PolarHBondContact O-N 2.98Å; Q615-T619 WeakPolarHBondContact O-CG2 3.44Å; Q615-T619 PolarHBondContact O-N 3.01Å; Q615-T619 PolarHBondContact O-OG1 2.9Å |
| 616 | Q | 92.4 | Very high | 89.8 | Confident | 100 Ų | 100 | 94.6 Ų | 94.6 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.5 | -30.6 | 173.2 | -76.2 | 177.6 | 14.1 | 0 | 0 | 113.3 | N612 R614 T619 R620 | N612-Q616 WeakPolarHBondContact O-CB 3.33Å; N612-Q616 VanDerWaalsContact O-CG 3.28Å; N612-Q616 WeakPolarHBondContact O-CG 3.24Å; N612-Q616 PolarHBondContact O-N 3Å; R614-Q616 PolarHBondContact O-N 3.26Å; Q616-T619 PolarHBondContact O-OG1 3.43Å; Q616-R620 WeakPolarHBondContact O-CB 3.35Å; Q616-R620 WeakPolarHBondContact O-CD 3.43Å; Q616-R620 WeakPolarHBondContact O-CG 3.4Å; Q616-R620 PolarHBondContact O-N 2.92Å; Q616-R620 VanDerWaalsContact O-N 3.16Å |
| 617 | N | 91.7 | Very high | 90.6 | Very high | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.9 | -33.9 | 173 | -70.3 | -14.5 | 0 | 0 | 0 | 111.3 | T613 R614 Q615 R620 L621 | T613-N617 WeakPolarHBondContact O-CB 3.38Å; T613-N617 PolarHBondContact O-N 2.97Å; T613-N617 PolarHBondContact O-ND2 3.16Å; R614-N617 CarbonylContact O-C 3.53Å; R614-N617 PolarHBondContact O-N 2.99Å; R614-N617 VanDerWaalsContact O-N 3.12Å; Q615-N617 VanDerWaalsContact C-N 3.31Å; Q615-N617 PolarHBondContact O-N 3.46Å; N617-R620 PolarHBondContact O-N 2.95Å; N617-R620 PolarHBondContact OD1-NH1 3.21Å; N617-L621 WeakPolarHBondContact O-CB 3.46Å; N617-L621 VanDerWaalsContact O-CG 3.23Å; N617-L621 WeakPolarHBondContact O-CG 3.34Å; N617-L621 PolarHBondContact O-N 3.48Å |
| 618 | E | 89 | Confident | 90.8 | Very high | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.4 | -46.4 | 174 | -172.1 | 171.4 | -162.7 | 0 | 0 | 111 | R614 Q615 R620 L621 C622 | R614-E618 WeakPolarHBondContact O-CB 3.35Å; R614-E618 PolarHBondContact O-N 3.38Å; Q615-E618 WeakPolarHBondContact O-CB 3.45Å; Q615-E618 PolarHBondContact O-N 2.98Å; E618-R620 PolarHBondContact O-N 3.29Å; E618-L621 PolarHBondContact O-N 3.01Å; E618-C622 PolarHBondContact O-N 2.99Å; E618-C622 PolarHBondContact O-SG 3.27Å; E618-C622 VanDerWaalsContact O-SG 3.33Å |
| 619 | T | 91.4 | Very high | 91 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173.1 | 60.8 | 0 | 0 | 0 | 0 | 112 | Q615 Q616 C622 E623 | Q615-T619 WeakPolarHBondContact O-CG2 3.44Å; Q615-T619 PolarHBondContact O-N 3.01Å; Q615-T619 PolarHBondContact O-OG1 2.9Å; Q616-T619 PolarHBondContact O-OG1 3.43Å; T619-C622 PolarHBondContact O-N 3.31Å; T619-E623 WeakPolarHBondContact O-CB 3.38Å; T619-E623 VanDerWaalsContact O-CG 3.32Å; T619-E623 WeakPolarHBondContact O-CG 3.49Å; T619-E623 PolarHBondContact O-N 2.95Å |
| 620 | R | 95.7 | Very high | 91.3 | Very high | 121 Ų | 121 | 102 Ų | 102 | 46% | 0.457 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.9 | -76.5 | 169.2 | -168.1 | 164.9 | 5.8 | 112.6 | Q616 N617 E618 C622 E623 E624 | Q616-R620 WeakPolarHBondContact O-CB 3.35Å; Q616-R620 WeakPolarHBondContact O-CD 3.43Å; Q616-R620 WeakPolarHBondContact O-CG 3.4Å; Q616-R620 PolarHBondContact O-N 2.92Å; Q616-R620 VanDerWaalsContact O-N 3.16Å; N617-R620 PolarHBondContact O-N 2.95Å; N617-R620 PolarHBondContact OD1-NH1 3.21Å; E618-R620 PolarHBondContact O-N 3.29Å; R620-C622 VanDerWaalsContact C-N 3.31Å; R620-C622 PolarHBondContact O-N 3.38Å; R620-E623 PolarHBondContact O-N 3Å; R620-E624 VanDerWaalsContact O-CB 3.32Å; R620-E624 WeakPolarHBondContact O-CB 3.46Å; R620-E624 VanDerWaalsContact O-CG 3.29Å; R620-E624 WeakPolarHBondContact O-CG 3.37Å; R620-E624 PolarHBondContact O-N 3.39Å |
| 621 | L | 90.8 | Very high | 91.6 | Very high | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.3 | -32.8 | 176.6 | -73.5 | 168.2 | 0 | 0 | 0 | 111.5 | N617 E618 N625 | N617-L621 WeakPolarHBondContact O-CB 3.46Å; N617-L621 VanDerWaalsContact O-CG 3.23Å; N617-L621 WeakPolarHBondContact O-CG 3.34Å; N617-L621 PolarHBondContact O-N 3.48Å; E618-L621 PolarHBondContact O-N 3.01Å; L621-N625 WeakPolarHBondContact O-CB 3.41Å; L621-N625 PolarHBondContact O-N 3.44Å |
| 622 | C | 91.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 103.6 Ų | 103.6 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 170.3 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | E618 T619 R620 S626 | E618-C622 PolarHBondContact O-N 2.99Å; E618-C622 PolarHBondContact O-SG 3.27Å; E618-C622 VanDerWaalsContact O-SG 3.33Å; T619-C622 PolarHBondContact O-N 3.31Å; R620-C622 VanDerWaalsContact C-N 3.31Å; R620-C622 PolarHBondContact O-N 3.38Å; C622-S626 WeakPolarHBondContact O-CB 3.16Å; C622-S626 PolarHBondContact O-N 3.5Å; C622-S626 PolarHBondContact O-OG 2.96Å |
| 623 | E | 94.3 | Very high | 91.9 | Very high | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 172.5 | -74 | 166.8 | -155.9 | 0 | 0 | 111.2 | T619 R620 S626 R627 | T619-E623 WeakPolarHBondContact O-CB 3.38Å; T619-E623 VanDerWaalsContact O-CG 3.32Å; T619-E623 WeakPolarHBondContact O-CG 3.49Å; T619-E623 PolarHBondContact O-N 2.95Å; R620-E623 PolarHBondContact O-N 3Å; E623-S626 PolarHBondContact O-OG 2.79Å; E623-R627 WeakPolarHBondContact O-CB 3.36Å; E623-R627 WeakPolarHBondContact O-CG 3.42Å; E623-R627 PolarHBondContact O-N 3.12Å |
| 624 | E | 93.3 | Very high | 92.1 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 176.5 | -74.2 | 170.1 | -172.9 | 0 | 0 | 111.6 | R620 R627 L628 | R620-E624 VanDerWaalsContact O-CB 3.32Å; R620-E624 WeakPolarHBondContact O-CB 3.46Å; R620-E624 VanDerWaalsContact O-CG 3.29Å; R620-E624 WeakPolarHBondContact O-CG 3.37Å; R620-E624 PolarHBondContact O-N 3.39Å; E624-R627 PolarHBondContact O-N 3.06Å; E624-L628 WeakPolarHBondContact O-CB 3.47Å; E624-L628 VanDerWaalsContact O-CG 3.3Å; E624-L628 WeakPolarHBondContact O-CG 3.19Å; E624-L628 PolarHBondContact O-N 3.42Å |
| 625 | N | 89 | Confident | 92.5 | Very high | 91 Ų | 91 | 101.4 Ų | 101.4 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 177.4 | -167.4 | 39.5 | 0 | 0 | 0 | 111.8 | L621 R627 L628 E629 | L621-N625 WeakPolarHBondContact O-CB 3.41Å; L621-N625 PolarHBondContact O-N 3.44Å; N625-R627 VanDerWaalsContact C-N 3.32Å; N625-R627 PolarHBondContact O-N 2.78Å; N625-L628 CarbonylContact O-C 3.56Å; N625-L628 PolarHBondContact O-N 2.81Å; N625-E629 WeakPolarHBondContact O-CG 3.38Å; N625-E629 PolarHBondContact O-N 3.03Å |
| 626 | S | 94.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 101.8 Ų | 101.8 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -31.9 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | C622 E623 E629 Q630 | C622-S626 WeakPolarHBondContact O-CB 3.16Å; C622-S626 PolarHBondContact O-N 3.5Å; C622-S626 PolarHBondContact O-OG 2.96Å; E623-S626 PolarHBondContact O-OG 2.79Å; S626-E629 PolarHBondContact O-N 2.96Å; S626-Q630 WeakPolarHBondContact O-CG 3.45Å; S626-Q630 PolarHBondContact O-N 3.01Å |
| 627 | R | 96.3 | Very high | 92.8 | Very high | 141 Ų | 141 | 101.4 Ų | 101.4 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 167.4 | -81.8 | -169.1 | 60.9 | -132.3 | -9.1 | 112.6 | E623 E624 N625 E629 Q630 E631 | E623-R627 WeakPolarHBondContact O-CB 3.36Å; E623-R627 WeakPolarHBondContact O-CG 3.42Å; E623-R627 PolarHBondContact O-N 3.12Å; E624-R627 PolarHBondContact O-N 3.06Å; N625-R627 VanDerWaalsContact C-N 3.32Å; N625-R627 PolarHBondContact O-N 2.78Å; R627-E629 VanDerWaalsContact C-N 3.28Å; R627-E629 PolarHBondContact O-N 3.46Å; R627-Q630 PolarHBondContact O-N 3.07Å; R627-E631 IonicContact CZ-OE1 3.74Å; R627-E631 IonicContact NE-OE1 3.68Å; R627-E631 IonicContact NH2-OE1 2.79Å; R627-E631 PolarHBondContact NH2-OE1 3.01Å; R627-E631 WeakPolarHBondContact O-CB 3.18Å; R627-E631 WeakPolarHBondContact O-CG 3.42Å; R627-E631 PolarHBondContact O-N 3.31Å |
| 628 | L | 93.1 | Very high | 92.7 | Very high | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -31 | 175.7 | -72.4 | 169.5 | 0 | 0 | 0 | 112.1 | E624 N625 K632 | E624-L628 WeakPolarHBondContact O-CB 3.47Å; E624-L628 VanDerWaalsContact O-CG 3.3Å; E624-L628 WeakPolarHBondContact O-CG 3.19Å; E624-L628 PolarHBondContact O-N 3.42Å; N625-L628 CarbonylContact O-C 3.56Å; N625-L628 PolarHBondContact O-N 2.81Å; L628-K632 WeakPolarHBondContact O-CB 3.46Å; L628-K632 PolarHBondContact O-N 3.05Å |
| 629 | E | 91.6 | Very high | 92.8 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 170.8 | -74.9 | -176.9 | 156 | 0 | 0 | 112.3 | N625 S626 R627 Q633 | N625-E629 WeakPolarHBondContact O-CG 3.38Å; N625-E629 PolarHBondContact O-N 3.03Å; S626-E629 PolarHBondContact O-N 2.96Å; R627-E629 VanDerWaalsContact C-N 3.28Å; R627-E629 PolarHBondContact O-N 3.46Å; E629-Q633 WeakPolarHBondContact O-CB 3.49Å; E629-Q633 VanDerWaalsContact O-CG 3.25Å; E629-Q633 WeakPolarHBondContact O-CG 3.42Å; E629-Q633 PolarHBondContact O-N 3.5Å |
| 630 | Q | 93.7 | Very high | 92.8 | Very high | 123 Ų | 123 | 103 Ų | 103 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 172.6 | -72.5 | 171.7 | 6.6 | 0 | 0 | 111.9 | S626 R627 Q633 S634 | S626-Q630 WeakPolarHBondContact O-CG 3.45Å; S626-Q630 PolarHBondContact O-N 3.01Å; R627-Q630 PolarHBondContact O-N 3.07Å; Q630-Q633 WeakPolarHBondContact O-CB 3.37Å; Q630-Q633 PolarHBondContact O-N 2.95Å; Q630-Q633 VanDerWaalsContact O-N 3.15Å; Q630-S634 PolarHBondContact O-N 3.25Å; Q630-S634 PolarHBondContact O-OG 2.9Å |
| 631 | E | 92.7 | Very high | 92.5 | Very high | 74 Ų | 74 | 101.4 Ų | 101.4 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 176.8 | -73.8 | 165.9 | -161.4 | 0 | 0 | 111.4 | R627 S634 L635 | R627-E631 IonicContact CZ-OE1 3.74Å; R627-E631 IonicContact NE-OE1 3.68Å; R627-E631 IonicContact NH2-OE1 2.79Å; R627-E631 PolarHBondContact NH2-OE1 3.01Å; R627-E631 WeakPolarHBondContact O-CB 3.18Å; R627-E631 WeakPolarHBondContact O-CG 3.42Å; R627-E631 PolarHBondContact O-N 3.31Å; E631-S634 WeakPolarHBondContact CA-OG 3.12Å; E631-S634 PolarHBondContact O-N 3.48Å; E631-S634 PolarHBondContact O-OG 3.3Å; E631-L635 VanDerWaalsContact O-CB 3.25Å; E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 WeakPolarHBondContact O-CD1 3.41Å; E631-L635 WeakPolarHBondContact O-CG 3.29Å; E631-L635 PolarHBondContact O-N 2.94Å |
| 632 | K | 92.5 | Very high | 92 | Very high | 140 Ų | 140 | 101.3 Ų | 101.3 | 61% | 0.609 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 169.1 | 174.8 | -174.3 | 172.3 | -171.2 | 0 | 111.9 | L628 Q636 | L628-K632 WeakPolarHBondContact O-CB 3.46Å; L628-K632 PolarHBondContact O-N 3.05Å; K632-Q636 VanDerWaalsContact O-CB 3.23Å; K632-Q636 WeakPolarHBondContact O-CB 3.28Å; K632-Q636 PolarHBondContact O-N 3.34Å |
| 633 | Q | 94.1 | Very high | 91.9 | Very high | 120 Ų | 120 | 103.1 Ų | 103.1 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.3 | -42.6 | 176.7 | -74.8 | 171.4 | 23.7 | 0 | 0 | 111.7 | E629 Q630 Q636 V637 | E629-Q633 WeakPolarHBondContact O-CB 3.49Å; E629-Q633 VanDerWaalsContact O-CG 3.25Å; E629-Q633 WeakPolarHBondContact O-CG 3.42Å; E629-Q633 PolarHBondContact O-N 3.5Å; Q630-Q633 WeakPolarHBondContact O-CB 3.37Å; Q630-Q633 PolarHBondContact O-N 2.95Å; Q630-Q633 VanDerWaalsContact O-N 3.15Å; Q633-Q636 PolarHBondContact O-N 2.83Å; Q633-V637 WeakPolarHBondContact O-CG2 3.35Å; Q633-V637 PolarHBondContact O-N 3.03Å |
| 634 | S | 93.1 | Very high | 91.6 | Very high | 67 Ų | 67 | 103.1 Ų | 103.1 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.4 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | Q630 E631 Q636 V637 E638 | Q630-S634 PolarHBondContact O-N 3.25Å; Q630-S634 PolarHBondContact O-OG 2.9Å; E631-S634 WeakPolarHBondContact CA-OG 3.12Å; E631-S634 PolarHBondContact O-N 3.48Å; E631-S634 PolarHBondContact O-OG 3.3Å; S634-Q636 VanDerWaalsContact C-N 3.26Å; S634-Q636 PolarHBondContact O-N 3.24Å; S634-V637 PolarHBondContact O-N 2.94Å; S634-V637 VanDerWaalsContact O-N 3.17Å; S634-E638 WeakPolarHBondContact O-CB 3.43Å; S634-E638 PolarHBondContact O-N 3.18Å |
| 635 | L | 93 | Very high | 90.9 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 173.7 | -72.6 | 168.2 | 0 | 0 | 0 | 112.3 | E631 L639 | E631-L635 VanDerWaalsContact O-CB 3.25Å; E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 WeakPolarHBondContact O-CD1 3.41Å; E631-L635 WeakPolarHBondContact O-CG 3.29Å; E631-L635 PolarHBondContact O-N 2.94Å; L635-L639 WeakPolarHBondContact O-CB 3.44Å; L635-L639 PolarHBondContact O-N 2.64Å |
| 636 | Q | 93.9 | Very high | 90.3 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 174.2 | -178.8 | 172.1 | -13.5 | 0 | 0 | 112 | K632 Q633 S634 Q640 | K632-Q636 VanDerWaalsContact O-CB 3.23Å; K632-Q636 WeakPolarHBondContact O-CB 3.28Å; K632-Q636 PolarHBondContact O-N 3.34Å; Q633-Q636 PolarHBondContact O-N 2.83Å; S634-Q636 VanDerWaalsContact C-N 3.26Å; S634-Q636 PolarHBondContact O-N 3.24Å; Q636-Q640 WeakPolarHBondContact O-CG 3.18Å; Q636-Q640 PolarHBondContact O-N 2.89Å |
| 637 | V | 94.8 | Very high | 89.5 | Confident | 93 Ų | 93 | 107.5 Ų | 107.5 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.5 | -43.6 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 111 | Q633 S634 L639 Q640 L641 | Q633-V637 WeakPolarHBondContact O-CG2 3.35Å; Q633-V637 PolarHBondContact O-N 3.03Å; S634-V637 PolarHBondContact O-N 2.94Å; S634-V637 VanDerWaalsContact O-N 3.17Å; V637-L639 VanDerWaalsContact C-N 3.33Å; V637-L639 PolarHBondContact O-N 2.79Å; V637-Q640 CarbonylContact O-C 3.55Å; V637-Q640 WeakPolarHBondContact O-CA 3.45Å; V637-Q640 WeakPolarHBondContact O-CB 3.49Å; V637-Q640 PolarHBondContact O-N 3.46Å; V637-L641 PolarHBondContact O-N 3Å |
| 638 | E | 90 | Very high | 88.6 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.1 | -172.9 | 174.9 | -165.4 | 0 | 0 | 111.5 | S634 Q640 L641 M642 | S634-E638 WeakPolarHBondContact O-CB 3.43Å; S634-E638 PolarHBondContact O-N 3.18Å; E638-Q640 VanDerWaalsContact C-N 3.3Å; E638-Q640 PolarHBondContact O-N 3.34Å; E638-L641 WeakPolarHBondContact O-CB 3.35Å; E638-L641 PolarHBondContact O-N 3.49Å; E638-M642 WeakPolarHBondContact O-CB 3.47Å; E638-M642 WeakPolarHBondContact O-CG 3.35Å; E638-M642 PolarHBondContact O-N 3.39Å |
| 639 | L | 89.2 | Confident | 87.4 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -20.8 | 173.5 | -174.2 | 135 | 0 | 0 | 0 | 113.1 | L635 V637 K643 | L635-L639 WeakPolarHBondContact O-CB 3.44Å; L635-L639 PolarHBondContact O-N 2.64Å; V637-L639 VanDerWaalsContact C-N 3.33Å; V637-L639 PolarHBondContact O-N 2.79Å; L639-K643 HydrophobicContact CD2-CD 4.15Å; L639-K643 WeakPolarHBondContact O-CB 3.46Å; L639-K643 VanDerWaalsContact O-CD 3.31Å; L639-K643 WeakPolarHBondContact O-CD 3.29Å; L639-K643 WeakPolarHBondContact O-CG 3.31Å; L639-K643 PolarHBondContact O-N 3.46Å |
| 640 | Q | 91.7 | Very high | 86.3 | Confident | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77 | -41.9 | 166.3 | -77.6 | 177.3 | -13.6 | 0 | 0 | 111.3 | Q636 V637 E638 K643 Q644 | Q636-Q640 WeakPolarHBondContact O-CG 3.18Å; Q636-Q640 PolarHBondContact O-N 2.89Å; V637-Q640 CarbonylContact O-C 3.55Å; V637-Q640 WeakPolarHBondContact O-CA 3.45Å; V637-Q640 WeakPolarHBondContact O-CB 3.49Å; V637-Q640 PolarHBondContact O-N 3.46Å; E638-Q640 VanDerWaalsContact C-N 3.3Å; E638-Q640 PolarHBondContact O-N 3.34Å; Q640-K643 WeakPolarHBondContact O-CB 3.46Å; Q640-K643 PolarHBondContact O-N 3.38Å; Q640-Q644 WeakPolarHBondContact O-CG 3.37Å; Q640-Q644 PolarHBondContact O-N 3.05Å |
| 641 | L | 90.1 | Very high | 85 | Confident | 88 Ų | 88 | 102 Ų | 102 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 174.8 | -170.3 | 75.7 | 0 | 0 | 0 | 110.6 | V637 E638 K643 Q644 E645 | V637-L641 PolarHBondContact O-N 3Å; E638-L641 WeakPolarHBondContact O-CB 3.35Å; E638-L641 PolarHBondContact O-N 3.49Å; L641-K643 PolarHBondContact O-N 2.9Å; L641-K643 VanDerWaalsContact O-N 3.13Å; L641-Q644 CarbonylContact O-C 3.59Å; L641-Q644 WeakPolarHBondContact O-CA 3.41Å; L641-Q644 WeakPolarHBondContact O-CB 3.39Å; L641-Q644 PolarHBondContact O-N 3.31Å; L641-E645 PolarHBondContact O-N 2.92Å |
| 642 | M | 80.8 | Confident | 83.3 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.9 | -28.8 | 174.7 | -74.9 | -65.8 | -59.9 | 0 | 0 | 113.2 | E638 Q646 | E638-M642 WeakPolarHBondContact O-CB 3.47Å; E638-M642 WeakPolarHBondContact O-CG 3.35Å; E638-M642 PolarHBondContact O-N 3.39Å; M642-Q646 WeakPolarHBondContact O-CB 3.42Å; M642-Q646 PolarHBondContact O-N 2.68Å |
| 643 | K | 87.7 | Confident | 81.3 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76 | -38.1 | 172.5 | -81.5 | 172.4 | -178.5 | 177.5 | 0 | 112.5 | L639 Q640 L641 Q646 Q647 | L639-K643 HydrophobicContact CD2-CD 4.15Å; L639-K643 WeakPolarHBondContact O-CB 3.46Å; L639-K643 VanDerWaalsContact O-CD 3.31Å; L639-K643 WeakPolarHBondContact O-CD 3.29Å; L639-K643 WeakPolarHBondContact O-CG 3.31Å; L639-K643 PolarHBondContact O-N 3.46Å; Q640-K643 WeakPolarHBondContact O-CB 3.46Å; Q640-K643 PolarHBondContact O-N 3.38Å; L641-K643 PolarHBondContact O-N 2.9Å; L641-K643 VanDerWaalsContact O-N 3.13Å; K643-Q646 PolarHBondContact O-N 3.43Å; K643-Q647 WeakPolarHBondContact O-CB 3.18Å; K643-Q647 WeakPolarHBondContact O-CG 3.36Å; K643-Q647 PolarHBondContact O-N 2.86Å |
| 644 | Q | 88.3 | Confident | 79.2 | Confident | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 173 | -71.7 | 178.7 | -3.6 | 0 | 0 | 110.9 | Q640 L641 Q646 Q647 L648 | Q640-Q644 WeakPolarHBondContact O-CG 3.37Å; Q640-Q644 PolarHBondContact O-N 3.05Å; L641-Q644 CarbonylContact O-C 3.59Å; L641-Q644 WeakPolarHBondContact O-CA 3.41Å; L641-Q644 WeakPolarHBondContact O-CB 3.39Å; L641-Q644 PolarHBondContact O-N 3.31Å; Q644-Q646 PolarHBondContact O-N 2.91Å; Q644-Q647 CarbonylContact O-C 3.52Å; Q644-Q647 PolarHBondContact O-N 3.26Å; Q644-Q647 VanDerWaalsContact O-N 3.1Å; Q644-L648 WeakPolarHBondContact O-CB 3.36Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 2.95Å |
| 645 | E | 79.6 | Confident | 77.2 | Confident | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 171.8 | -70.2 | -176.3 | 172.4 | 0 | 0 | 111.6 | L641 Q647 L648 A649 | L641-E645 PolarHBondContact O-N 2.92Å; E645-Q647 VanDerWaalsContact C-N 3.33Å; E645-Q647 PolarHBondContact O-N 2.78Å; E645-L648 PolarHBondContact O-N 2.93Å; E645-A649 WeakPolarHBondContact O-CB 3.37Å; E645-A649 PolarHBondContact O-N 2.82Å |
| 646 | Q | 76 | Confident | 75.2 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -34.2 | 172.7 | -165.8 | -166.8 | 76.2 | 0 | 0 | 112.3 | M642 K643 Q644 K650 | M642-Q646 WeakPolarHBondContact O-CB 3.42Å; M642-Q646 PolarHBondContact O-N 2.68Å; K643-Q646 PolarHBondContact O-N 3.43Å; Q644-Q646 PolarHBondContact O-N 2.91Å; Q646-K650 HydrophobicContact CG-CD 4.29Å; Q646-K650 WeakPolarHBondContact O-CB 3.43Å; Q646-K650 WeakPolarHBondContact O-CD 3.42Å; Q646-K650 WeakPolarHBondContact O-CG 3.49Å; Q646-K650 PolarHBondContact O-N 2.82Å |
| 647 | Q | 77.9 | Confident | 73.3 | Confident | 127 Ų | 127 | 99.6 Ų | 99.6 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.2 | -41.9 | 174.6 | -78.1 | 177.9 | -9.7 | 0 | 0 | 111.8 | K643 Q644 E645 K650 V651 | K643-Q647 WeakPolarHBondContact O-CB 3.18Å; K643-Q647 WeakPolarHBondContact O-CG 3.36Å; K643-Q647 PolarHBondContact O-N 2.86Å; Q644-Q647 CarbonylContact O-C 3.52Å; Q644-Q647 PolarHBondContact O-N 3.26Å; Q644-Q647 VanDerWaalsContact O-N 3.1Å; E645-Q647 VanDerWaalsContact C-N 3.33Å; E645-Q647 PolarHBondContact O-N 2.78Å; Q647-K650 PolarHBondContact O-N 2.77Å; Q647-V651 WeakPolarHBondContact O-CG2 3.42Å; Q647-V651 PolarHBondContact O-N 2.74Å |
| 648 | L | 76.9 | Confident | 71.3 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 174 | -68.6 | 169.8 | 0 | 0 | 0 | 111.5 | Q644 E645 V651 Q652 | Q644-L648 WeakPolarHBondContact O-CB 3.36Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 2.95Å; E645-L648 PolarHBondContact O-N 2.93Å; L648-V651 CarbonylContact O-C 3.53Å; L648-V651 PolarHBondContact O-N 3.12Å; L648-Q652 WeakPolarHBondContact O-CG 3.41Å; L648-Q652 PolarHBondContact O-N 2.92Å |
| 649 | A | 68.8 | Low | 69.6 | Low | 45 Ų | 45 | 100 Ų | 100 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E645 V651 Q652 T653 | E645-A649 WeakPolarHBondContact O-CB 3.37Å; E645-A649 PolarHBondContact O-N 2.82Å; A649-V651 PolarHBondContact O-N 3.37Å; A649-Q652 CarbonylContact O-C 3.57Å; A649-Q652 WeakPolarHBondContact O-CA 3.26Å; A649-Q652 WeakPolarHBondContact O-CB 3.45Å; A649-Q652 PolarHBondContact O-N 2.81Å; A649-T653 WeakPolarHBondContact O-CG2 3.4Å; A649-T653 PolarHBondContact O-N 2.91Å |
| 650 | K | 68.4 | Low | 68.3 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 172.1 | -78.1 | 164.5 | 174 | 171.7 | 0 | 112.1 | Q646 Q647 Q652 T653 F654 | Q646-K650 HydrophobicContact CG-CD 4.29Å; Q646-K650 WeakPolarHBondContact O-CB 3.43Å; Q646-K650 WeakPolarHBondContact O-CD 3.42Å; Q646-K650 WeakPolarHBondContact O-CG 3.49Å; Q646-K650 PolarHBondContact O-N 2.82Å; Q647-K650 PolarHBondContact O-N 2.77Å; K650-Q652 PolarHBondContact O-N 3.44Å; K650-T653 PolarHBondContact O-N 3.06Å; K650-T653 PolarHBondContact O-OG1 2.89Å; K650-F654 HydrophobicContact CB-CE2 4.34Å; K650-F654 HydrophobicContact CB-CZ 4.44Å; K650-F654 WeakPolarHBondContact O-CD2 3.44Å; K650-F654 WeakPolarHBondContact O-CG 3.28Å; K650-F654 PolarHBondContact O-N 2.9Å |
| 651 | V | 65.3 | Low | 67 | Low | 102 Ų | 102 | 97.8 Ų | 97.8 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -26.5 | 172.3 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | Q647 L648 A649 | Q647-V651 WeakPolarHBondContact O-CG2 3.42Å; Q647-V651 PolarHBondContact O-N 2.74Å; L648-V651 CarbonylContact O-C 3.53Å; L648-V651 PolarHBondContact O-N 3.12Å; A649-V651 PolarHBondContact O-N 3.37Å |
| 652 | Q | 57.3 | Low | 66.1 | Low | 144 Ų | 144 | 100.9 Ų | 100.9 | 67% | 0.673 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -84.1 | -33.2 | 171.9 | -69.6 | 175.1 | 5.4 | 0 | 0 | 113.8 | L648 A649 K650 S655 | L648-Q652 WeakPolarHBondContact O-CG 3.41Å; L648-Q652 PolarHBondContact O-N 2.92Å; A649-Q652 CarbonylContact O-C 3.57Å; A649-Q652 WeakPolarHBondContact O-CA 3.26Å; A649-Q652 WeakPolarHBondContact O-CB 3.45Å; A649-Q652 PolarHBondContact O-N 2.81Å; K650-Q652 PolarHBondContact O-N 3.44Å; Q652-S655 WeakPolarHBondContact O-CB 3.46Å; Q652-S655 PolarHBondContact O-N 3.06Å; Q652-S655 VanDerWaalsContact O-N 3.09Å |
| 653 | T | 50.1 | Low | 65.6 | Low | 54 Ų | 54 | 99.6 Ų | 99.6 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.2 | -28.9 | 175.1 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | A649 K650 S655 T656 E659 | A649-T653 WeakPolarHBondContact O-CG2 3.4Å; A649-T653 PolarHBondContact O-N 2.91Å; K650-T653 PolarHBondContact O-N 3.06Å; K650-T653 PolarHBondContact O-OG1 2.89Å; T653-S655 PolarHBondContact O-N 3.05Å; T653-T656 WeakPolarHBondContact O-CB 3.41Å; T653-T656 PolarHBondContact O-N 3.31Å; T653-T656 PolarHBondContact O-OG1 3.42Å; T653-E659 WeakPolarHBondContact CB-OE2 3.46Å; T653-E659 PolarHBondContact OG1-OE2 3.24Å |
| 654 | F | 50.2 | Low | 64.8 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 45% | 0.447 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -3.1 | 165.8 | -59.4 | -31 | 0 | 0 | 0 | 113.9 | K650 I660 L663 | K650-F654 HydrophobicContact CB-CE2 4.34Å; K650-F654 HydrophobicContact CB-CZ 4.44Å; K650-F654 WeakPolarHBondContact O-CD2 3.44Å; K650-F654 WeakPolarHBondContact O-CG 3.28Å; K650-F654 PolarHBondContact O-N 2.9Å; F654-I660 WeakPolarHBondContact O-CD1 3.48Å; F654-L663 HydrophobicContact CD1-CD1 3.69Å; F654-L663 HydrophobicContact CE1-CD1 3.7Å |
| 655 | S | 52 | Low | 64.2 | Low | 101 Ų | 101 | 95 Ų | 95 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.6 | 167.3 | -165.6 | 0 | 0 | 0 | 0 | 113.4 | Q652 T653 | Q652-S655 WeakPolarHBondContact O-CB 3.46Å; Q652-S655 PolarHBondContact O-N 3.06Å; Q652-S655 VanDerWaalsContact O-N 3.09Å; T653-S655 PolarHBondContact O-N 3.05Å |
| 656 | T | 50.6 | Low | 64.1 | Low | 72 Ų | 72 | 95.9 Ų | 95.9 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -101 | 133.5 | 174.8 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | T653 D658 | T653-T656 WeakPolarHBondContact O-CB 3.41Å; T653-T656 PolarHBondContact O-N 3.31Å; T653-T656 PolarHBondContact O-OG1 3.42Å; T656-D658 VanDerWaalsContact C-N 3.28Å; T656-D658 PolarHBondContact O-N 3.32Å; T656-D658 VanDerWaalsContact O-N 3.16Å |
| 657 | S | 53 | Low | 64.2 | Low | 90 Ų | 90 | 94.4 Ų | 94.4 | 63% | 0.629 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -23.7 | -159.6 | -163.1 | 0 | 0 | 0 | 0 | 115.5 | S661 | S657-S661 PolarHBondContact O-OG 3.2Å |
| 658 | D | 52.8 | Low | 64.2 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -85.7 | -39.8 | -170.8 | -60.1 | -23 | 0 | 0 | 0 | 111.5 | T656 I660 S661 E662 | T656-D658 VanDerWaalsContact C-N 3.28Å; T656-D658 PolarHBondContact O-N 3.32Å; T656-D658 VanDerWaalsContact O-N 3.16Å; D658-I660 PolarHBondContact O-N 2.93Å; D658-S661 WeakPolarHBondContact O-CB 3.38Å; D658-S661 PolarHBondContact O-N 3.45Å; D658-E662 PolarHBondContact O-N 2.98Å |
| 659 | E | 55.9 | Low | 64.5 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -33.1 | 174.9 | -66.4 | -169 | 165.4 | 0 | 0 | 111.8 | T653 S661 E662 L663 | T653-E659 WeakPolarHBondContact CB-OE2 3.46Å; T653-E659 PolarHBondContact OG1-OE2 3.24Å; E659-S661 VanDerWaalsContact C-N 3.26Å; E659-S661 PolarHBondContact O-N 2.88Å; E659-E662 PolarHBondContact O-N 2.81Å; E659-L663 WeakPolarHBondContact O-CB 3.49Å; E659-L663 WeakPolarHBondContact O-CD1 3.47Å; E659-L663 VanDerWaalsContact O-CG 3.25Å; E659-L663 WeakPolarHBondContact O-CG 3.41Å; E659-L663 PolarHBondContact O-N 2.9Å |
| 660 | I | 59.9 | Low | 65.4 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 176.3 | -58.9 | 172.8 | 0 | 0 | 0 | 111 | F654 D658 Q664 | F654-I660 WeakPolarHBondContact O-CD1 3.48Å; D658-I660 PolarHBondContact O-N 2.93Å; I660-Q664 WeakPolarHBondContact O-CB 3.46Å; I660-Q664 PolarHBondContact O-N 2.84Å |
| 661 | S | 66.4 | Low | 66.4 | Low | 74 Ų | 74 | 100 Ų | 100 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.5 | -41 | -177.7 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | S657 D658 E659 Q664 G665 | S657-S661 PolarHBondContact O-OG 3.2Å; D658-S661 WeakPolarHBondContact O-CB 3.38Å; D658-S661 PolarHBondContact O-N 3.45Å; E659-S661 VanDerWaalsContact C-N 3.26Å; E659-S661 PolarHBondContact O-N 2.88Å; S661-Q664 PolarHBondContact O-N 2.71Å; S661-G665 PolarHBondContact O-N 3.26Å |
| 662 | E | 70.2 | Confident | 67.5 | Low | 153 Ų | 153 | 100.1 Ų | 100.1 | 72% | 0.715 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 173.8 | -65.6 | -165.5 | 161.7 | 0 | 0 | 111.8 | D658 E659 Q664 G665 L666 | D658-E662 PolarHBondContact O-N 2.98Å; E659-E662 PolarHBondContact O-N 2.81Å; E662-Q664 VanDerWaalsContact C-N 3.3Å; E662-Q664 PolarHBondContact O-N 3.38Å; E662-G665 PolarHBondContact O-N 3.38Å; E662-L666 WeakPolarHBondContact O-CG 3.42Å; E662-L666 PolarHBondContact O-N 3.31Å |
| 663 | L | 70.4 | Confident | 69.1 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 173.3 | -72.5 | 167.8 | 0 | 0 | 0 | 112.1 | F654 E659 L666 Q667 | F654-L663 HydrophobicContact CD1-CD1 3.69Å; F654-L663 HydrophobicContact CE1-CD1 3.7Å; E659-L663 WeakPolarHBondContact O-CB 3.49Å; E659-L663 WeakPolarHBondContact O-CD1 3.47Å; E659-L663 VanDerWaalsContact O-CG 3.25Å; E659-L663 WeakPolarHBondContact O-CG 3.41Å; E659-L663 PolarHBondContact O-N 2.9Å; L663-L666 PolarHBondContact O-N 3.43Å; L663-Q667 VanDerWaalsContact O-CB 3.26Å; L663-Q667 WeakPolarHBondContact O-CB 3.28Å; L663-Q667 PolarHBondContact O-N 2.82Å |
| 664 | Q | 70.8 | Confident | 71.1 | Confident | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 176.7 | -166.7 | 169 | 18.7 | 0 | 0 | 111.9 | I660 S661 E662 Q667 Q668 | I660-Q664 WeakPolarHBondContact O-CB 3.46Å; I660-Q664 PolarHBondContact O-N 2.84Å; S661-Q664 PolarHBondContact O-N 2.71Å; E662-Q664 VanDerWaalsContact C-N 3.3Å; E662-Q664 PolarHBondContact O-N 3.38Å; Q664-Q667 PolarHBondContact O-N 3.19Å; Q664-Q668 WeakPolarHBondContact O-CG 3.35Å; Q664-Q668 PolarHBondContact O-N 2.59Å |
| 665 | G | 75.8 | Confident | 73.1 | Confident | 21 Ų | 21 | 94.1 Ų | 94.1 | 22% | 0.216 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S661 E662 Q667 Q668 H669 | S661-G665 PolarHBondContact O-N 3.26Å; E662-G665 PolarHBondContact O-N 3.38Å; G665-Q667 VanDerWaalsContact C-N 3.3Å; G665-Q667 PolarHBondContact O-N 2.86Å; G665-Q668 PolarHBondContact O-N 3.45Å; G665-H669 PolarHBondContact O-CD2 3.09Å; G665-H669 PolarHBondContact O-N 2.77Å |
| 666 | L | 76.6 | Confident | 75 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -33.8 | 174.3 | -71.6 | 173.4 | 0 | 0 | 0 | 112.6 | E662 L663 R670 | E662-L666 WeakPolarHBondContact O-CG 3.42Å; E662-L666 PolarHBondContact O-N 3.31Å; L663-L666 PolarHBondContact O-N 3.43Å; L666-R670 WeakPolarHBondContact O-CB 3.2Å; L666-R670 PolarHBondContact O-N 2.83Å |
| 667 | Q | 79.7 | Confident | 76.9 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 174.1 | -178.7 | 62.1 | 18.2 | 0 | 0 | 111.6 | L663 Q664 G665 R670 E671 | L663-Q667 VanDerWaalsContact O-CB 3.26Å; L663-Q667 WeakPolarHBondContact O-CB 3.28Å; L663-Q667 PolarHBondContact O-N 2.82Å; Q664-Q667 PolarHBondContact O-N 3.19Å; G665-Q667 VanDerWaalsContact C-N 3.3Å; G665-Q667 PolarHBondContact O-N 2.86Å; Q667-R670 WeakPolarHBondContact O-CB 3.48Å; Q667-R670 PolarHBondContact O-N 3.37Å; Q667-R670 VanDerWaalsContact O-N 3.17Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.47Å; Q667-E671 PolarHBondContact NE2-OE1 2.97Å; Q667-E671 WeakPolarHBondContact O-CG 3.33Å; Q667-E671 PolarHBondContact O-N 3.03Å |
| 668 | Q | 76.3 | Confident | 78.8 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -50.2 | 172.1 | -75.9 | 168.6 | -6.7 | 0 | 0 | 111.2 | Q664 G665 R670 E671 E672 | Q664-Q668 WeakPolarHBondContact O-CG 3.35Å; Q664-Q668 PolarHBondContact O-N 2.59Å; G665-Q668 PolarHBondContact O-N 3.45Å; Q668-R670 PolarHBondContact O-N 2.83Å; Q668-E671 CarbonylContact O-C 3.59Å; Q668-E671 PolarHBondContact O-N 2.97Å; Q668-E672 WeakPolarHBondContact O-CG 3.45Å; Q668-E672 PolarHBondContact O-N 3.08Å |
| 669 | H | 83.7 | Confident | 80.8 | Confident | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -30.8 | 176 | -65.5 | -37.6 | 0 | 0 | 0 | 113.4 | G665 E672 V673 | G665-H669 PolarHBondContact O-CD2 3.09Å; G665-H669 PolarHBondContact O-N 2.77Å; H669-E672 WeakPolarHBondContact CA-OE2 3.5Å; H669-E672 IonicContact CE1-OE2 3.41Å; H669-E672 IonicContact CG-OE2 3.96Å; H669-E672 IonicContact ND1-OE2 3.6Å; H669-E672 PolarHBondContact ND1-OE2 3.36Å; H669-V673 WeakPolarHBondContact O-CB 3.42Å; H669-V673 VanDerWaalsContact O-CG2 3.23Å; H669-V673 WeakPolarHBondContact O-CG2 3.26Å; H669-V673 PolarHBondContact O-N 2.87Å |
| 670 | R | 88.2 | Confident | 82.6 | Confident | 176 Ų | 176 | 99.8 Ų | 99.8 | 66% | 0.664 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.3 | -37.7 | 173.4 | -172.5 | -178.4 | -175.4 | 179 | 2.1 | 112.2 | L666 Q667 Q668 A674 | L666-R670 WeakPolarHBondContact O-CB 3.2Å; L666-R670 PolarHBondContact O-N 2.83Å; Q667-R670 WeakPolarHBondContact O-CB 3.48Å; Q667-R670 PolarHBondContact O-N 3.37Å; Q667-R670 VanDerWaalsContact O-N 3.17Å; Q668-R670 PolarHBondContact O-N 2.83Å; R670-A674 WeakPolarHBondContact O-CB 3.46Å; R670-A674 PolarHBondContact O-N 2.95Å |
| 671 | E | 88.8 | Confident | 84 | Confident | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.8 | -40.5 | 176.2 | -73.2 | 169.2 | -170.2 | 0 | 0 | 111.7 | Q667 Q668 A674 A675 | Q667-E671 WeakPolarHBondContact CG-OE1 3.47Å; Q667-E671 PolarHBondContact NE2-OE1 2.97Å; Q667-E671 WeakPolarHBondContact O-CG 3.33Å; Q667-E671 PolarHBondContact O-N 3.03Å; Q668-E671 CarbonylContact O-C 3.59Å; Q668-E671 PolarHBondContact O-N 2.97Å; E671-A674 CarbonylContact O-C 3.52Å; E671-A674 WeakPolarHBondContact O-CB 3.45Å; E671-A674 PolarHBondContact O-N 3.18Å; E671-A674 VanDerWaalsContact O-N 3.15Å; E671-A675 WeakPolarHBondContact O-CB 3.46Å; E671-A675 PolarHBondContact O-N 3.13Å |
| 672 | E | 89.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 106.3 Ų | 106.3 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 170 | -71.2 | 171.1 | 161.9 | 0 | 0 | 111.3 | Q668 H669 A674 A675 L676 | Q668-E672 WeakPolarHBondContact O-CG 3.45Å; Q668-E672 PolarHBondContact O-N 3.08Å; H669-E672 WeakPolarHBondContact CA-OE2 3.5Å; H669-E672 IonicContact CE1-OE2 3.41Å; H669-E672 IonicContact CG-OE2 3.96Å; H669-E672 IonicContact ND1-OE2 3.6Å; H669-E672 PolarHBondContact ND1-OE2 3.36Å; E672-A674 VanDerWaalsContact C-N 3.28Å; E672-A674 PolarHBondContact O-N 2.71Å; E672-A675 PolarHBondContact O-N 3.18Å; E672-L676 WeakPolarHBondContact O-CB 3.33Å; E672-L676 VanDerWaalsContact O-CG 3.32Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 3.42Å |
| 673 | V | 90.9 | Very high | 86.2 | Confident | 70 Ų | 70 | 104.4 Ų | 104.4 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -32.3 | 175.8 | 166.7 | 0 | 0 | 0 | 0 | 111.8 | H669 K677 | H669-V673 WeakPolarHBondContact O-CB 3.42Å; H669-V673 VanDerWaalsContact O-CG2 3.23Å; H669-V673 WeakPolarHBondContact O-CG2 3.26Å; H669-V673 PolarHBondContact O-N 2.87Å; V673-K677 HydrophobicContact CG1-CD 4.07Å; V673-K677 WeakPolarHBondContact O-CB 3.37Å; V673-K677 WeakPolarHBondContact O-CD 3.33Å; V673-K677 WeakPolarHBondContact O-CG 3.49Å; V673-K677 PolarHBondContact O-N 2.78Å |
| 674 | A | 90.4 | Very high | 87.1 | Confident | 46 Ų | 46 | 103.2 Ų | 103.2 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | R670 E671 E672 K677 N678 | R670-A674 WeakPolarHBondContact O-CB 3.46Å; R670-A674 PolarHBondContact O-N 2.95Å; E671-A674 CarbonylContact O-C 3.52Å; E671-A674 WeakPolarHBondContact O-CB 3.45Å; E671-A674 PolarHBondContact O-N 3.18Å; E671-A674 VanDerWaalsContact O-N 3.15Å; E672-A674 VanDerWaalsContact C-N 3.28Å; E672-A674 PolarHBondContact O-N 2.71Å; A674-K677 PolarHBondContact O-N 3.45Å; A674-N678 PolarHBondContact O-N 3.48Å |
| 675 | A | 91.9 | Very high | 88.1 | Confident | 58 Ų | 58 | 102.3 Ų | 102.3 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E671 E672 N678 K679 | E671-A675 WeakPolarHBondContact O-CB 3.46Å; E671-A675 PolarHBondContact O-N 3.13Å; E672-A675 PolarHBondContact O-N 3.18Å; A675-N678 PolarHBondContact O-N 3.16Å; A675-K679 WeakPolarHBondContact O-CB 3.29Å; A675-K679 PolarHBondContact O-N 3.33Å |
| 676 | L | 93 | Very high | 88.7 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 174.4 | -71.2 | 172.2 | 0 | 0 | 0 | 112.1 | E672 K679 L680 | E672-L676 WeakPolarHBondContact O-CB 3.33Å; E672-L676 VanDerWaalsContact O-CG 3.32Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 3.42Å; L676-K679 PolarHBondContact O-N 2.99Å; L676-L680 WeakPolarHBondContact O-CB 3.42Å; L676-L680 PolarHBondContact O-N 3.26Å |
| 677 | K | 90.3 | Very high | 89.3 | Confident | 135 Ų | 135 | 102.9 Ų | 102.9 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 173.3 | -78.1 | 168.4 | -178.3 | 172.3 | 0 | 112.6 | V673 A674 L680 R681 | V673-K677 HydrophobicContact CG1-CD 4.07Å; V673-K677 WeakPolarHBondContact O-CB 3.37Å; V673-K677 WeakPolarHBondContact O-CD 3.33Å; V673-K677 WeakPolarHBondContact O-CG 3.49Å; V673-K677 PolarHBondContact O-N 2.78Å; A674-K677 PolarHBondContact O-N 3.45Å; K677-L680 PolarHBondContact O-N 3.12Å; K677-R681 WeakPolarHBondContact O-CB 3.48Å; K677-R681 PolarHBondContact O-N 3.39Å |
| 678 | N | 93.7 | Very high | 89.8 | Confident | 98 Ų | 98 | 104.1 Ų | 104.1 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 175.2 | -72.4 | -16.9 | 0 | 0 | 0 | 111.5 | A674 A675 R681 W682 | A674-N678 PolarHBondContact O-N 3.48Å; A675-N678 PolarHBondContact O-N 3.16Å; N678-R681 PolarHBondContact O-N 2.86Å; N678-W682 PolarHBondContact O-N 2.83Å |
| 679 | K | 93.9 | Very high | 90.5 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 174.7 | -165.3 | 174.6 | -175.3 | 175.8 | 0 | 112.1 | A675 L676 W682 F683 | A675-K679 WeakPolarHBondContact O-CB 3.29Å; A675-K679 PolarHBondContact O-N 3.33Å; L676-K679 PolarHBondContact O-N 2.99Å; K679-W682 PolarHBondContact O-N 3.42Å; K679-F683 HydrophobicContact CD-CE2 4.26Å; K679-F683 HydrophobicContact CG-CD2 4.2Å; K679-F683 HydrophobicContact CG-CE2 3.77Å; K679-F683 WeakPolarHBondContact O-CD2 3.47Å; K679-F683 PolarHBondContact O-N 3.08Å |
| 680 | L | 93.2 | Very high | 90.8 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 173.3 | -177.9 | 63.7 | 0 | 0 | 0 | 112 | L676 K677 F683 A684 | L676-L680 WeakPolarHBondContact O-CB 3.42Å; L676-L680 PolarHBondContact O-N 3.26Å; K677-L680 PolarHBondContact O-N 3.12Å; L680-F683 PolarHBondContact O-N 2.89Å; L680-A684 PolarHBondContact O-N 3.36Å |
| 681 | R | 89.5 | Confident | 91 | Very high | 148 Ų | 148 | 100 Ų | 100 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -46.6 | 172.4 | 172.1 | 178.9 | -74.7 | 151.5 | -6.7 | 111.3 | K677 N678 F683 A684 E685 | K677-R681 WeakPolarHBondContact O-CB 3.48Å; K677-R681 PolarHBondContact O-N 3.39Å; N678-R681 PolarHBondContact O-N 2.86Å; R681-F683 VanDerWaalsContact C-N 3.33Å; R681-F683 PolarHBondContact O-N 2.79Å; R681-A684 WeakPolarHBondContact O-CB 3.34Å; R681-A684 PolarHBondContact O-N 2.85Å; R681-A684 VanDerWaalsContact O-N 3.08Å; R681-E685 VanDerWaalsContact CD-OE1 3.24Å; R681-E685 WeakPolarHBondContact CD-OE1 3.2Å; R681-E685 HydrophobicContact CG-CG 4.27Å; R681-E685 WeakPolarHBondContact CG-OE1 3.28Å; R681-E685 WeakPolarHBondContact O-CG 3.25Å; R681-E685 PolarHBondContact O-N 3.47Å |
| 682 | W | 93.1 | Very high | 91.3 | Very high | 143 Ų | 143 | 101.2 Ų | 101.2 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 177.4 | -176.6 | 82.6 | 0 | 0 | 0 | 112.6 | N678 K679 N686 | N678-W682 PolarHBondContact O-N 2.83Å; K679-W682 PolarHBondContact O-N 3.42Å; W682-N686 WeakPolarHBondContact CH2-ND2 3.2Å; W682-N686 WeakPolarHBondContact CZ2-ND2 3.44Å; W682-N686 VanDerWaalsContact CZ3-ND2 3.3Å; W682-N686 WeakPolarHBondContact CZ3-ND2 3.27Å; W682-N686 WeakPolarHBondContact O-CB 3.47Å; W682-N686 PolarHBondContact O-N 3.4Å |
| 683 | F | 91.1 | Very high | 91.4 | Very high | 113 Ų | 113 | 99.7 Ų | 99.7 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 172.1 | -75 | -55.7 | 0 | 0 | 0 | 112.8 | K679 L680 R681 Q687 | K679-F683 HydrophobicContact CD-CE2 4.26Å; K679-F683 HydrophobicContact CG-CD2 4.2Å; K679-F683 HydrophobicContact CG-CE2 3.77Å; K679-F683 WeakPolarHBondContact O-CD2 3.47Å; K679-F683 PolarHBondContact O-N 3.08Å; L680-F683 PolarHBondContact O-N 2.89Å; R681-F683 VanDerWaalsContact C-N 3.33Å; R681-F683 PolarHBondContact O-N 2.79Å; F683-Q687 WeakPolarHBondContact O-CB 3.3Å; F683-Q687 PolarHBondContact O-N 3.27Å |
| 684 | A | 89.5 | Confident | 91.4 | Very high | 57 Ų | 57 | 98.2 Ų | 98.2 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L680 R681 N686 Q687 E688 | L680-A684 PolarHBondContact O-N 3.36Å; R681-A684 WeakPolarHBondContact O-CB 3.34Å; R681-A684 PolarHBondContact O-N 2.85Å; R681-A684 VanDerWaalsContact O-N 3.08Å; A684-N686 VanDerWaalsContact C-N 3.35Å; A684-N686 PolarHBondContact O-N 2.97Å; A684-Q687 PolarHBondContact O-N 2.91Å; A684-E688 PolarHBondContact O-N 3.32Å |
| 685 | E | 90.3 | Very high | 91.6 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.9 | -72.6 | 167.4 | -174.7 | 0 | 0 | 111.4 | R681 E688 L689 | R681-E685 VanDerWaalsContact CD-OE1 3.24Å; R681-E685 WeakPolarHBondContact CD-OE1 3.2Å; R681-E685 HydrophobicContact CG-CG 4.27Å; R681-E685 WeakPolarHBondContact CG-OE1 3.28Å; R681-E685 WeakPolarHBondContact O-CG 3.25Å; R681-E685 PolarHBondContact O-N 3.47Å; E685-E688 WeakPolarHBondContact O-CB 3.34Å; E685-E688 PolarHBondContact O-N 3.32Å; E685-L689 WeakPolarHBondContact O-CG 3.48Å; E685-L689 PolarHBondContact O-N 2.77Å |
| 686 | N | 89.4 | Confident | 91.8 | Very high | 51 Ų | 51 | 101.8 Ų | 101.8 | 27% | 0.273 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 173 | -78.1 | -15.8 | 0 | 0 | 0 | 113.1 | W682 A684 E688 L689 L690 | W682-N686 WeakPolarHBondContact CH2-ND2 3.2Å; W682-N686 WeakPolarHBondContact CZ2-ND2 3.44Å; W682-N686 VanDerWaalsContact CZ3-ND2 3.3Å; W682-N686 WeakPolarHBondContact CZ3-ND2 3.27Å; W682-N686 WeakPolarHBondContact O-CB 3.47Å; W682-N686 PolarHBondContact O-N 3.4Å; A684-N686 VanDerWaalsContact C-N 3.35Å; A684-N686 PolarHBondContact O-N 2.97Å; N686-E688 VanDerWaalsContact C-N 3.34Å; N686-L689 PolarHBondContact O-N 2.68Å; N686-L690 WeakPolarHBondContact O-CG 3.21Å; N686-L690 PolarHBondContact O-N 3.19Å |
| 687 | Q | 89.2 | Confident | 91.8 | Very high | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.6 | -172.5 | 60.9 | 52 | 0 | 0 | 110.7 | F683 A684 L689 L690 D691 | F683-Q687 WeakPolarHBondContact O-CB 3.3Å; F683-Q687 PolarHBondContact O-N 3.27Å; A684-Q687 PolarHBondContact O-N 2.91Å; Q687-L689 VanDerWaalsContact C-N 3.26Å; Q687-L689 PolarHBondContact O-N 3.03Å; Q687-L690 PolarHBondContact O-N 3.47Å; Q687-D691 PolarHBondContact NE2-OD1 3.09Å; Q687-D691 WeakPolarHBondContact O-CB 3.22Å; Q687-D691 PolarHBondContact O-N 3.39Å |
| 688 | E | 89.3 | Confident | 92 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 173.4 | -98.1 | -158 | -122.9 | 0 | 0 | 113.9 | A684 E685 N686 R692 | A684-E688 PolarHBondContact O-N 3.32Å; E685-E688 WeakPolarHBondContact O-CB 3.34Å; E685-E688 PolarHBondContact O-N 3.32Å; N686-E688 VanDerWaalsContact C-N 3.34Å; E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CG 3.27Å; E688-R692 WeakPolarHBondContact O-CG 3.4Å; E688-R692 PolarHBondContact O-N 2.9Å; E688-R692 PolarHBondContact O-NH1 2.95Å; E688-R692 IonicContact OE2-CZ 2.66Å; E688-R692 IonicContact OE2-NH1 3.75Å; E688-R692 PolarHBondContact OE2-NH1 2.96Å; E688-R692 IonicContact OE2-NH2 3.15Å; E688-R692 PolarHBondContact OE2-NH2 3.37Å; E688-R692 VanDerWaalsContact OE2-NH2 3.12Å |
| 689 | L | 92.2 | Very high | 92 | Very high | 97 Ų | 97 | 101 Ų | 101 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.6 | -47.6 | 171 | -71.8 | 172 | 0 | 0 | 0 | 111.2 | E685 N686 Q687 D691 R692 D693 | E685-L689 WeakPolarHBondContact O-CG 3.48Å; E685-L689 PolarHBondContact O-N 2.77Å; N686-L689 PolarHBondContact O-N 2.68Å; Q687-L689 VanDerWaalsContact C-N 3.26Å; Q687-L689 PolarHBondContact O-N 3.03Å; L689-D691 VanDerWaalsContact C-N 3.28Å; L689-D691 PolarHBondContact O-N 3.25Å; L689-R692 WeakPolarHBondContact O-CB 3.34Å; L689-R692 PolarHBondContact O-N 2.8Å; L689-R692 VanDerWaalsContact O-N 3.17Å; L689-D693 WeakPolarHBondContact O-CB 3.31Å; L689-D693 PolarHBondContact O-N 3.33Å; L689-D693 VanDerWaalsContact O-OD1 3.09Å |
| 690 | L | 89.4 | Confident | 91.9 | Very high | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | 175.9 | -70.2 | 172.1 | 0 | 0 | 0 | 112.2 | N686 Q687 D693 A694 | N686-L690 WeakPolarHBondContact O-CG 3.21Å; N686-L690 PolarHBondContact O-N 3.19Å; Q687-L690 PolarHBondContact O-N 3.47Å; L690-D693 PolarHBondContact O-N 2.84Å; L690-A694 WeakPolarHBondContact O-CB 3.45Å; L690-A694 PolarHBondContact O-N 3.45Å |
| 691 | D | 92.6 | Very high | 91.8 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 177.1 | -68 | -17.1 | 0 | 0 | 0 | 111.8 | Q687 L689 G695 | Q687-D691 PolarHBondContact NE2-OD1 3.09Å; Q687-D691 WeakPolarHBondContact O-CB 3.22Å; Q687-D691 PolarHBondContact O-N 3.39Å; L689-D691 VanDerWaalsContact C-N 3.28Å; L689-D691 PolarHBondContact O-N 3.25Å; D691-G695 PolarHBondContact O-N 3.35Å |
| 692 | R | 95 | Very high | 92.1 | Very high | 133 Ų | 133 | 89.7 Ų | 89.7 | 50% | 0.502 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 170.8 | -82 | 177.8 | 179.4 | 79.5 | -5.2 | 112.1 | E688 L689 G695 R696 | E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CG 3.27Å; E688-R692 WeakPolarHBondContact O-CG 3.4Å; E688-R692 PolarHBondContact O-N 2.9Å; E688-R692 PolarHBondContact O-NH1 2.95Å; E688-R692 IonicContact OE2-CZ 2.66Å; E688-R692 IonicContact OE2-NH1 3.75Å; E688-R692 PolarHBondContact OE2-NH1 2.96Å; E688-R692 IonicContact OE2-NH2 3.15Å; E688-R692 PolarHBondContact OE2-NH2 3.37Å; E688-R692 VanDerWaalsContact OE2-NH2 3.12Å; L689-R692 WeakPolarHBondContact O-CB 3.34Å; L689-R692 PolarHBondContact O-N 2.8Å; L689-R692 VanDerWaalsContact O-N 3.17Å; R692-G695 PolarHBondContact O-N 3Å; R692-R696 WeakPolarHBondContact O-CG 3.37Å; R692-R696 PolarHBondContact O-N 3.38Å; R692-R696 PolarHBondContact O-NH1 2.87Å |
| 693 | D | 91.3 | Very high | 92.2 | Very high | 74 Ų | 74 | 88.5 Ų | 88.5 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 179.2 | -82 | 44.5 | 0 | 0 | 0 | 111.3 | L689 L690 G695 R696 L697 | L689-D693 WeakPolarHBondContact O-CB 3.31Å; L689-D693 PolarHBondContact O-N 3.33Å; L689-D693 VanDerWaalsContact O-OD1 3.09Å; L690-D693 PolarHBondContact O-N 2.84Å; D693-G695 VanDerWaalsContact C-N 3.25Å; D693-G695 PolarHBondContact O-N 2.84Å; D693-R696 PolarHBondContact O-N 3.26Å; D693-R696 IonicContact OD1-CZ 3.88Å; D693-R696 IonicContact OD1-NH1 2.96Å; D693-R696 PolarHBondContact OD1-NH1 3.46Å; D693-R696 IonicContact OD1-NH2 3.6Å; D693-R696 PolarHBondContact OD1-NH2 3.38Å; D693-R696 IonicContact OD2-CZ 2.67Å; D693-R696 IonicContact OD2-NH2 3.95Å; D693-R696 PolarHBondContact OD2-NH2 3.13Å; D693-L697 WeakPolarHBondContact O-CB 3.37Å; D693-L697 PolarHBondContact O-N 3.4Å |
| 694 | A | 92.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 87.1 Ų | 87.1 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61 | -34.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L690 K698 | L690-A694 WeakPolarHBondContact O-CB 3.45Å; L690-A694 PolarHBondContact O-N 3.45Å; A694-K698 WeakPolarHBondContact O-CB 3.31Å; A694-K698 WeakPolarHBondContact O-CD 3.19Å; A694-K698 WeakPolarHBondContact O-CG 3.19Å; A694-K698 PolarHBondContact O-N 3.31Å |
| 695 | G | 94.3 | Very high | 92.5 | Very high | 36 Ų | 36 | 89 Ų | 89 | 37% | 0.371 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | D691 R692 D693 K698 A699 | D691-G695 PolarHBondContact O-N 3.35Å; R692-G695 PolarHBondContact O-N 3Å; D693-G695 VanDerWaalsContact C-N 3.25Å; D693-G695 PolarHBondContact O-N 2.84Å; G695-K698 PolarHBondContact O-N 3.25Å; G695-A699 PolarHBondContact O-N 2.61Å |
| 696 | R | 95.1 | Very high | 92.7 | Very high | 142 Ų | 142 | 89.7 Ų | 89.7 | 54% | 0.536 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 175.1 | -67.4 | -164.1 | -51 | -71.1 | 7.8 | 111.9 | R692 D693 A699 A700 | R692-R696 WeakPolarHBondContact O-CG 3.37Å; R692-R696 PolarHBondContact O-N 3.38Å; R692-R696 PolarHBondContact O-NH1 2.87Å; D693-R696 PolarHBondContact O-N 3.26Å; D693-R696 IonicContact OD1-CZ 3.88Å; D693-R696 IonicContact OD1-NH1 2.96Å; D693-R696 PolarHBondContact OD1-NH1 3.46Å; D693-R696 IonicContact OD1-NH2 3.6Å; D693-R696 PolarHBondContact OD1-NH2 3.38Å; D693-R696 IonicContact OD2-CZ 2.67Å; D693-R696 IonicContact OD2-NH2 3.95Å; D693-R696 PolarHBondContact OD2-NH2 3.13Å; R696-A699 PolarHBondContact O-N 2.88Å; R696-A700 WeakPolarHBondContact O-CB 3.28Å; R696-A700 PolarHBondContact O-N 3.46Å |
| 697 | L | 93.9 | Very high | 92.9 | Very high | 120 Ų | 120 | 91.3 Ų | 91.3 | 63% | 0.628 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.8 | -47 | 175.2 | -168.1 | 77 | 0 | 0 | 0 | 111.2 | D693 A699 A700 T701 | D693-L697 WeakPolarHBondContact O-CB 3.37Å; D693-L697 PolarHBondContact O-N 3.4Å; L697-A699 PolarHBondContact O-N 3.27Å; L697-A700 PolarHBondContact O-N 2.86Å; L697-T701 WeakPolarHBondContact O-CG2 3.44Å; L697-T701 PolarHBondContact O-N 2.84Å; L697-T701 PolarHBondContact O-OG1 3.16Å |
| 698 | K | 93.8 | Very high | 93.1 | Very high | 148 Ų | 148 | 92.6 Ų | 92.6 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.4 | -46.3 | 175.8 | -75.8 | 166.1 | -176.1 | 173.3 | 0 | 111.7 | A694 G695 T701 A702 | A694-K698 WeakPolarHBondContact O-CB 3.31Å; A694-K698 WeakPolarHBondContact O-CD 3.19Å; A694-K698 WeakPolarHBondContact O-CG 3.19Å; A694-K698 PolarHBondContact O-N 3.31Å; G695-K698 PolarHBondContact O-N 3.25Å; K698-T701 WeakPolarHBondContact CA-OG1 3Å; K698-T701 PolarHBondContact O-N 3.42Å; K698-T701 PolarHBondContact O-OG1 3.18Å; K698-A702 PolarHBondContact O-N 2.99Å |
| 699 | A | 93.2 | Very high | 93.3 | Very high | 64 Ų | 64 | 93.7 Ų | 93.7 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G695 R696 L697 T701 A702 E703 | G695-A699 PolarHBondContact O-N 2.61Å; R696-A699 PolarHBondContact O-N 2.88Å; L697-A699 PolarHBondContact O-N 3.27Å; A699-T701 VanDerWaalsContact C-N 3.34Å; A699-T701 PolarHBondContact O-N 3.33Å; A699-A702 WeakPolarHBondContact O-CB 3.33Å; A699-A702 PolarHBondContact O-N 2.95Å; A699-A702 VanDerWaalsContact O-N 3.15Å; A699-E703 PolarHBondContact O-N 3.29Å |
| 700 | A | 93 | Very high | 93.4 | Very high | 41 Ų | 41 | 94.3 Ų | 94.3 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R696 L697 A702 E703 I704 | R696-A700 WeakPolarHBondContact O-CB 3.28Å; R696-A700 PolarHBondContact O-N 3.46Å; L697-A700 PolarHBondContact O-N 2.86Å; A700-A702 VanDerWaalsContact C-N 3.35Å; A700-E703 PolarHBondContact O-N 3.37Å; A700-I704 WeakPolarHBondContact O-CB 3.09Å; A700-I704 WeakPolarHBondContact O-CD1 3.3Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.45Å; A700-I704 PolarHBondContact O-N 2.81Å |
| 701 | T | 91.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 92.5 Ų | 92.5 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | L697 K698 A699 I704 L705 | L697-T701 WeakPolarHBondContact O-CG2 3.44Å; L697-T701 PolarHBondContact O-N 2.84Å; L697-T701 PolarHBondContact O-OG1 3.16Å; K698-T701 WeakPolarHBondContact CA-OG1 3Å; K698-T701 PolarHBondContact O-N 3.42Å; K698-T701 PolarHBondContact O-OG1 3.18Å; A699-T701 VanDerWaalsContact C-N 3.34Å; A699-T701 PolarHBondContact O-N 3.33Å; T701-I704 PolarHBondContact O-N 2.92Å; T701-L705 WeakPolarHBondContact O-CG 3.44Å; T701-L705 PolarHBondContact O-N 3.46Å |
| 702 | A | 94.1 | Very high | 93.6 | Very high | 45 Ų | 45 | 92 Ų | 92 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K698 A699 A700 L705 Q706 | K698-A702 PolarHBondContact O-N 2.99Å; A699-A702 WeakPolarHBondContact O-CB 3.33Å; A699-A702 PolarHBondContact O-N 2.95Å; A699-A702 VanDerWaalsContact O-N 3.15Å; A700-A702 VanDerWaalsContact C-N 3.35Å; A702-L705 PolarHBondContact O-N 2.95Å; A702-Q706 WeakPolarHBondContact O-CG 3.5Å; A702-Q706 PolarHBondContact O-N 2.93Å |
| 703 | E | 96.2 | Very high | 93.4 | Very high | 117 Ų | 117 | 90.1 Ų | 90.1 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -44 | 172.5 | -175.2 | 175.7 | -169.1 | 0 | 0 | 111.6 | A699 A700 L705 Q706 L707 | A699-E703 PolarHBondContact O-N 3.29Å; A700-E703 PolarHBondContact O-N 3.37Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 3.39Å; E703-Q706 PolarHBondContact O-N 2.82Å; E703-L707 HydrophobicContact CG-CD1 4.07Å; E703-L707 HydrophobicContact CG-CG 4.47Å; E703-L707 WeakPolarHBondContact O-CB 3.39Å; E703-L707 VanDerWaalsContact O-CG 3.31Å; E703-L707 WeakPolarHBondContact O-CG 3.4Å; E703-L707 PolarHBondContact O-N 2.72Å |
| 704 | I | 92 | Very high | 93.4 | Very high | 85 Ų | 85 | 91.8 Ų | 91.8 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -35.9 | 174.4 | -71.9 | 164.7 | 0 | 0 | 0 | 111.7 | A700 T701 K708 | A700-I704 WeakPolarHBondContact O-CB 3.09Å; A700-I704 WeakPolarHBondContact O-CD1 3.3Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.45Å; A700-I704 PolarHBondContact O-N 2.81Å; T701-I704 PolarHBondContact O-N 2.92Å; I704-K708 HydrophobicContact CG2-CD 4.16Å; I704-K708 WeakPolarHBondContact O-CB 3.44Å; I704-K708 WeakPolarHBondContact O-CD 3.3Å; I704-K708 WeakPolarHBondContact O-CG 3.49Å; I704-K708 PolarHBondContact O-N 3.41Å |
| 705 | L | 94.2 | Very high | 93.4 | Very high | 97 Ų | 97 | 95.5 Ų | 95.5 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -46.5 | 174 | -73.2 | 168.7 | 0 | 0 | 0 | 111.6 | T701 A702 E703 L707 K708 E709 | T701-L705 WeakPolarHBondContact O-CG 3.44Å; T701-L705 PolarHBondContact O-N 3.46Å; A702-L705 PolarHBondContact O-N 2.95Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 3.39Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3.46Å; L705-K708 WeakPolarHBondContact O-CB 3.39Å; L705-K708 PolarHBondContact O-N 2.92Å; L705-K708 VanDerWaalsContact O-N 3.13Å; L705-E709 WeakPolarHBondContact O-CG 3.5Å; L705-E709 PolarHBondContact O-N 2.86Å |
| 706 | Q | 95.4 | Very high | 93.1 | Very high | 115 Ų | 115 | 100.2 Ų | 100.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175 | -70.9 | 179.2 | 3.3 | 0 | 0 | 112.3 | A702 E703 E709 Q710 | A702-Q706 WeakPolarHBondContact O-CG 3.5Å; A702-Q706 PolarHBondContact O-N 2.93Å; E703-Q706 PolarHBondContact O-N 2.82Å; Q706-E709 PolarHBondContact O-N 3.4Å; Q706-Q710 WeakPolarHBondContact O-CB 3.43Å; Q706-Q710 VanDerWaalsContact O-CG 3.27Å; Q706-Q710 WeakPolarHBondContact O-CG 3.23Å; Q706-Q710 PolarHBondContact O-N 3.34Å |
| 707 | L | 93.8 | Very high | 92.7 | Very high | 84 Ų | 84 | 95.7 Ų | 95.7 | 44% | 0.44 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 175.4 | -70.6 | 171.7 | 0 | 0 | 0 | 111.9 | E703 L705 Q710 V711 | E703-L707 HydrophobicContact CG-CD1 4.07Å; E703-L707 HydrophobicContact CG-CG 4.47Å; E703-L707 WeakPolarHBondContact O-CB 3.39Å; E703-L707 VanDerWaalsContact O-CG 3.31Å; E703-L707 WeakPolarHBondContact O-CG 3.4Å; E703-L707 PolarHBondContact O-N 2.72Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3.46Å; L707-Q710 PolarHBondContact O-N 3.01Å; L707-V711 WeakPolarHBondContact O-CB 3.32Å; L707-V711 VanDerWaalsContact O-CG2 3.31Å; L707-V711 WeakPolarHBondContact O-CG2 3.41Å; L707-V711 PolarHBondContact O-N 3.44Å |
| 708 | K | 92.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 94.5 Ų | 94.5 | 55% | 0.548 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 171.3 | -77 | 167.4 | 179.5 | 177.9 | 0 | 111.7 | I704 L705 Q710 V711 E712 | I704-K708 HydrophobicContact CG2-CD 4.16Å; I704-K708 WeakPolarHBondContact O-CB 3.44Å; I704-K708 WeakPolarHBondContact O-CD 3.3Å; I704-K708 WeakPolarHBondContact O-CG 3.49Å; I704-K708 PolarHBondContact O-N 3.41Å; L705-K708 WeakPolarHBondContact O-CB 3.39Å; L705-K708 PolarHBondContact O-N 2.92Å; L705-K708 VanDerWaalsContact O-N 3.13Å; K708-Q710 VanDerWaalsContact C-N 3.35Å; K708-Q710 PolarHBondContact O-N 3.48Å; K708-V711 PolarHBondContact O-N 3.47Å; K708-E712 PolarHBondContact O-N 2.96Å |
| 709 | E | 94.3 | Very high | 91.9 | Very high | 128 Ų | 128 | 89.3 Ų | 89.3 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 175.9 | -73.7 | 172.6 | -160.4 | 0 | 0 | 112.2 | L705 Q706 E712 H713 | L705-E709 WeakPolarHBondContact O-CG 3.5Å; L705-E709 PolarHBondContact O-N 2.86Å; Q706-E709 PolarHBondContact O-N 3.4Å; E709-E712 PolarHBondContact O-N 2.85Å; E709-H713 WeakPolarHBondContact O-CB 3.43Å; E709-H713 PolarHBondContact O-N 3.38Å |
| 710 | Q | 93.9 | Very high | 91.4 | Very high | 109 Ų | 109 | 91.4 Ų | 91.4 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 173.6 | -72.3 | 174 | 35.3 | 0 | 0 | 111.8 | Q706 L707 K708 H713 L714 | Q706-Q710 WeakPolarHBondContact O-CB 3.43Å; Q706-Q710 VanDerWaalsContact O-CG 3.27Å; Q706-Q710 WeakPolarHBondContact O-CG 3.23Å; Q706-Q710 PolarHBondContact O-N 3.34Å; L707-Q710 PolarHBondContact O-N 3.01Å; K708-Q710 VanDerWaalsContact C-N 3.35Å; K708-Q710 PolarHBondContact O-N 3.48Å; Q710-H713 PolarHBondContact O-N 3.31Å; Q710-L714 WeakPolarHBondContact O-CB 3.49Å; Q710-L714 VanDerWaalsContact O-CG 3.31Å; Q710-L714 WeakPolarHBondContact O-CG 3.42Å; Q710-L714 PolarHBondContact O-N 2.98Å |
| 711 | V | 93 | Very high | 90.8 | Very high | 74 Ų | 74 | 97.1 Ų | 97.1 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.7 | 165.8 | 0 | 0 | 0 | 0 | 111.3 | L707 K708 H713 L714 K715 | L707-V711 WeakPolarHBondContact O-CB 3.32Å; L707-V711 VanDerWaalsContact O-CG2 3.31Å; L707-V711 WeakPolarHBondContact O-CG2 3.41Å; L707-V711 PolarHBondContact O-N 3.44Å; K708-V711 PolarHBondContact O-N 3.47Å; V711-H713 VanDerWaalsContact C-N 3.34Å; V711-H713 PolarHBondContact O-N 3.33Å; V711-L714 PolarHBondContact O-N 3.17Å; V711-K715 HydrophobicContact CG1-CD 4.26Å; V711-K715 WeakPolarHBondContact O-CG 3.46Å; V711-K715 PolarHBondContact O-N 3.22Å |
| 712 | E | 92.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 97.4 Ų | 97.4 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -32.8 | 174.9 | -71.1 | -49.6 | 136.8 | 0 | 0 | 112.6 | K708 E709 K715 R716 | K708-E712 PolarHBondContact O-N 2.96Å; E709-E712 PolarHBondContact O-N 2.85Å; E712-K715 WeakPolarHBondContact OE1-CD 3.28Å; E712-K715 WeakPolarHBondContact OE1-CE 3.41Å; E712-K715 IonicContact OE1-NZ 3.24Å; E712-K715 PolarHBondContact OE1-NZ 3.48Å; E712-K715 VanDerWaalsContact OE2-CD 3.29Å; E712-K715 WeakPolarHBondContact OE2-CD 3.37Å; E712-K715 IonicContact OE2-NZ 3.16Å; E712-R716 WeakPolarHBondContact O-CB 3.45Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.48Å; E712-R716 PolarHBondContact O-N 2.94Å; E712-R716 PolarHBondContact O-NE 2.9Å |
| 713 | H | 91.6 | Very high | 89.3 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 43% | 0.431 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 171.9 | -179.6 | -93 | 0 | 0 | 0 | 110.9 | E709 Q710 V711 R716 E717 | E709-H713 WeakPolarHBondContact O-CB 3.43Å; E709-H713 PolarHBondContact O-N 3.38Å; Q710-H713 PolarHBondContact O-N 3.31Å; V711-H713 VanDerWaalsContact C-N 3.34Å; V711-H713 PolarHBondContact O-N 3.33Å; H713-R716 PolarHBondContact O-N 3.35Å; H713-E717 PolarHBondContact O-N 3.01Å |
| 714 | L | 91.7 | Very high | 88.2 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 175.5 | -71.5 | 170.3 | 0 | 0 | 0 | 112.2 | Q710 V711 E717 V718 | Q710-L714 WeakPolarHBondContact O-CB 3.49Å; Q710-L714 VanDerWaalsContact O-CG 3.31Å; Q710-L714 WeakPolarHBondContact O-CG 3.42Å; Q710-L714 PolarHBondContact O-N 2.98Å; V711-L714 PolarHBondContact O-N 3.17Å; L714-E717 PolarHBondContact O-N 2.92Å; L714-V718 WeakPolarHBondContact O-CB 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.35Å; L714-V718 PolarHBondContact O-N 3.09Å |
| 715 | K | 91.1 | Very high | 87.3 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 171.3 | -76 | 170 | 177.4 | 179.5 | 0 | 111.6 | V711 E712 E717 V718 G719 | V711-K715 HydrophobicContact CG1-CD 4.26Å; V711-K715 WeakPolarHBondContact O-CG 3.46Å; V711-K715 PolarHBondContact O-N 3.22Å; E712-K715 WeakPolarHBondContact OE1-CD 3.28Å; E712-K715 WeakPolarHBondContact OE1-CE 3.41Å; E712-K715 IonicContact OE1-NZ 3.24Å; E712-K715 PolarHBondContact OE1-NZ 3.48Å; E712-K715 VanDerWaalsContact OE2-CD 3.29Å; E712-K715 WeakPolarHBondContact OE2-CD 3.37Å; E712-K715 IonicContact OE2-NZ 3.16Å; K715-E717 VanDerWaalsContact C-N 3.35Å; K715-E717 PolarHBondContact O-N 2.9Å; K715-V718 PolarHBondContact O-N 2.95Å; K715-G719 PolarHBondContact O-N 3.45Å |
| 716 | R | 88.9 | Confident | 86 | Confident | 135 Ų | 135 | 97.7 Ų | 97.7 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 175.4 | -77.2 | 172.4 | -76.1 | 155.3 | -7.2 | 111.9 | E712 H713 G719 K720 | E712-R716 WeakPolarHBondContact O-CB 3.45Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.48Å; E712-R716 PolarHBondContact O-N 2.94Å; E712-R716 PolarHBondContact O-NE 2.9Å; H713-R716 PolarHBondContact O-N 3.35Å; R716-G719 PolarHBondContact O-N 3.38Å; R716-K720 VanDerWaalsContact O-CG 3.32Å; R716-K720 WeakPolarHBondContact O-CG 3.44Å; R716-K720 PolarHBondContact O-N 3.34Å |
| 717 | E | 87.1 | Confident | 84.8 | Confident | 48 Ų | 48 | 100.3 Ų | 100.3 | 22% | 0.224 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 174.7 | -79.3 | -59.1 | 123.4 | 0 | 0 | 113.3 | H713 L714 K715 G719 K720 R721 | H713-E717 PolarHBondContact O-N 3.01Å; L714-E717 PolarHBondContact O-N 2.92Å; K715-E717 VanDerWaalsContact C-N 3.35Å; K715-E717 PolarHBondContact O-N 2.9Å; E717-G719 VanDerWaalsContact C-N 3.33Å; E717-K720 PolarHBondContact O-N 2.96Å; E717-K720 WeakPolarHBondContact OE1-CD 3.45Å; E717-K720 WeakPolarHBondContact OE1-CE 3.41Å; E717-K720 IonicContact OE1-NZ 3.82Å; E717-K720 PolarHBondContact OE1-NZ 2.66Å; E717-R721 WeakPolarHBondContact O-CB 3.34Å; E717-R721 WeakPolarHBondContact O-CG 3.37Å; E717-R721 PolarHBondContact O-N 3.15Å |
| 718 | V | 86.9 | Confident | 83.5 | Confident | 94 Ų | 94 | 103.7 Ų | 103.7 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 172.7 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L714 K715 R721 S722 | L714-V718 WeakPolarHBondContact O-CB 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.35Å; L714-V718 PolarHBondContact O-N 3.09Å; K715-V718 PolarHBondContact O-N 2.95Å; V718-R721 PolarHBondContact O-N 2.6Å; V718-S722 WeakPolarHBondContact O-CB 3.37Å; V718-S722 PolarHBondContact O-N 3.32Å |
| 719 | G | 83.8 | Confident | 82.1 | Confident | 40 Ų | 40 | 99.2 Ų | 99.2 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K715 R716 E717 S722 S723 | K715-G719 PolarHBondContact O-N 3.45Å; R716-G719 PolarHBondContact O-N 3.38Å; E717-G719 VanDerWaalsContact C-N 3.33Å; G719-S722 PolarHBondContact O-N 2.91Å; G719-S723 PolarHBondContact O-N 3.39Å; G719-S723 PolarHBondContact O-OG 2.93Å |
| 720 | K | 82.6 | Confident | 80.7 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 173.1 | -70.1 | 169.3 | -167.1 | 173.1 | 0 | 112.3 | R716 E717 S723 N724 | R716-K720 VanDerWaalsContact O-CG 3.32Å; R716-K720 WeakPolarHBondContact O-CG 3.44Å; R716-K720 PolarHBondContact O-N 3.34Å; E717-K720 PolarHBondContact O-N 2.96Å; E717-K720 WeakPolarHBondContact OE1-CD 3.45Å; E717-K720 WeakPolarHBondContact OE1-CE 3.41Å; E717-K720 IonicContact OE1-NZ 3.82Å; E717-K720 PolarHBondContact OE1-NZ 2.66Å; K720-S723 PolarHBondContact O-N 3.39Å; K720-S723 PolarHBondContact O-OG 2.82Å; K720-S723 VanDerWaalsContact O-OG 3.04Å; K720-N724 WeakPolarHBondContact O-CB 3.25Å; K720-N724 PolarHBondContact O-N 2.84Å; K720-N724 PolarHBondContact O-ND2 3.48Å |
| 721 | R | 80.4 | Confident | 79.1 | Confident | 162 Ų | 162 | 102.7 Ų | 102.7 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 176.6 | -71.2 | 166.9 | -168.4 | -161.9 | 2.4 | 110.9 | E717 V718 N724 V725 | E717-R721 WeakPolarHBondContact O-CB 3.34Å; E717-R721 WeakPolarHBondContact O-CG 3.37Å; E717-R721 PolarHBondContact O-N 3.15Å; V718-R721 PolarHBondContact O-N 2.6Å; R721-N724 PolarHBondContact O-N 2.77Å; R721-V725 WeakPolarHBondContact O-CG2 3.49Å; R721-V725 PolarHBondContact O-N 2.83Å |
| 722 | S | 78.3 | Confident | 77.9 | Confident | 77 Ų | 77 | 106.8 Ų | 106.8 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | V718 G719 N724 V725 L726 | V718-S722 WeakPolarHBondContact O-CB 3.37Å; V718-S722 PolarHBondContact O-N 3.32Å; G719-S722 PolarHBondContact O-N 2.91Å; S722-N724 VanDerWaalsContact C-N 3.33Å; S722-N724 PolarHBondContact O-N 3.27Å; S722-V725 CarbonylContact O-C 3.53Å; S722-V725 PolarHBondContact O-N 2.85Å; S722-V725 VanDerWaalsContact O-N 3.14Å; S722-L726 WeakPolarHBondContact O-CB 3.4Å; S722-L726 PolarHBondContact O-N 2.9Å |
| 723 | S | 75.4 | Confident | 76.8 | Confident | 47 Ų | 47 | 106.1 Ų | 106.1 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 178.3 | 74.9 | 0 | 0 | 0 | 0 | 113.1 | G719 K720 L726 R727 | G719-S723 PolarHBondContact O-N 3.39Å; G719-S723 PolarHBondContact O-OG 2.93Å; K720-S723 PolarHBondContact O-N 3.39Å; K720-S723 PolarHBondContact O-OG 2.82Å; K720-S723 VanDerWaalsContact O-OG 3.04Å; S723-L726 PolarHBondContact O-N 3.26Å; S723-R727 VanDerWaalsContact O-CG 3.32Å; S723-R727 WeakPolarHBondContact O-CG 3.28Å; S723-R727 PolarHBondContact O-N 2.82Å |
| 724 | N | 73.4 | Confident | 75.8 | Confident | 81 Ų | 81 | 104.9 Ų | 104.9 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | 171.6 | -80.8 | -36.1 | 0 | 0 | 0 | 113.1 | K720 R721 S722 K728 | K720-N724 WeakPolarHBondContact O-CB 3.25Å; K720-N724 PolarHBondContact O-N 2.84Å; K720-N724 PolarHBondContact O-ND2 3.48Å; R721-N724 PolarHBondContact O-N 2.77Å; S722-N724 VanDerWaalsContact C-N 3.33Å; S722-N724 PolarHBondContact O-N 3.27Å; N724-K728 WeakPolarHBondContact O-CG 3.45Å; N724-K728 PolarHBondContact O-N 3.22Å; N724-K728 VanDerWaalsContact O-N 3.08Å |
| 725 | V | 71.6 | Confident | 74.6 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 169.2 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | R721 S722 K728 A729 | R721-V725 WeakPolarHBondContact O-CG2 3.49Å; R721-V725 PolarHBondContact O-N 2.83Å; S722-V725 CarbonylContact O-C 3.53Å; S722-V725 PolarHBondContact O-N 2.85Å; S722-V725 VanDerWaalsContact O-N 3.14Å; V725-K728 PolarHBondContact O-N 3.31Å; V725-A729 WeakPolarHBondContact O-CB 3.3Å; V725-A729 PolarHBondContact O-N 3.24Å |
| 726 | L | 68.1 | Low | 73.8 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -38.2 | 176.8 | -170 | 66.6 | 0 | 0 | 0 | 112.5 | S722 S723 A729 R730 | S722-L726 WeakPolarHBondContact O-CB 3.4Å; S722-L726 PolarHBondContact O-N 2.9Å; S723-L726 PolarHBondContact O-N 3.26Å; L726-A729 WeakPolarHBondContact O-CB 3.16Å; L726-A729 PolarHBondContact O-N 2.82Å; L726-R730 PolarHBondContact O-N 3.41Å |
| 727 | R | 69.1 | Low | 73.4 | Confident | 170 Ų | 170 | 101.6 Ų | 101.6 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.4 | -51.4 | 171 | -75 | 172.1 | -177.6 | -172.2 | -0.6 | 110.9 | S723 A729 R730 D731 | S723-R727 VanDerWaalsContact O-CG 3.32Å; S723-R727 WeakPolarHBondContact O-CG 3.28Å; S723-R727 PolarHBondContact O-N 2.82Å; R727-A729 PolarHBondContact O-N 3.46Å; R727-R730 WeakPolarHBondContact O-CA 3.41Å; R727-R730 WeakPolarHBondContact O-CB 3.33Å; R727-R730 PolarHBondContact O-N 3.12Å; R727-D731 PolarHBondContact O-N 3.43Å |
| 728 | K | 67.1 | Low | 73.1 | Confident | 155 Ų | 155 | 107.6 Ų | 107.6 | 67% | 0.674 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.5 | -29.6 | 174.2 | -70.1 | 176.5 | 178.8 | -174.9 | 0 | 113.1 | N724 V725 R730 D731 | N724-K728 WeakPolarHBondContact O-CG 3.45Å; N724-K728 PolarHBondContact O-N 3.22Å; N724-K728 VanDerWaalsContact O-N 3.08Å; V725-K728 PolarHBondContact O-N 3.31Å; K728-R730 VanDerWaalsContact C-N 3.29Å; K728-D731 PolarHBondContact O-N 3.45Å |
| 729 | A | 63.8 | Low | 72.5 | Confident | 32 Ų | 32 | 108 Ų | 108 | 26% | 0.264 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.1 | -22.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | V725 L726 R727 R732 | V725-A729 WeakPolarHBondContact O-CB 3.3Å; V725-A729 PolarHBondContact O-N 3.24Å; L726-A729 WeakPolarHBondContact O-CB 3.16Å; L726-A729 PolarHBondContact O-N 2.82Å; R727-A729 PolarHBondContact O-N 3.46Å; A729-R732 WeakPolarHBondContact O-CB 3.2Å |
| 730 | R | 64.4 | Low | 72.3 | Confident | 212 Ų | 212 | 111.7 Ų | 111.7 | 80% | 0.8 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.9 | -18.2 | 174.9 | -142.4 | 179.5 | -165.8 | -168.9 | 4.7 | 113.3 | L726 R727 K728 P733 | L726-R730 PolarHBondContact O-N 3.41Å; R727-R730 WeakPolarHBondContact O-CA 3.41Å; R727-R730 WeakPolarHBondContact O-CB 3.33Å; R727-R730 PolarHBondContact O-N 3.12Å; K728-R730 VanDerWaalsContact C-N 3.29Å; R730-P733 VanDerWaalsContact O-CD 3.22Å; R730-P733 WeakPolarHBondContact O-CD 3.23Å; R730-P733 VanDerWaalsContact O-CG 3.25Å; R730-P733 WeakPolarHBondContact O-CG 3.15Å |
| 731 | D | 60.4 | Low | 72.2 | Confident | 99 Ų | 99 | 110 Ų | 110 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -83.1 | -24 | 171.9 | -56.8 | -45.5 | 0 | 0 | 0 | 112.5 | R727 K728 P733 A734 | R727-D731 PolarHBondContact O-N 3.43Å; K728-D731 PolarHBondContact O-N 3.45Å; D731-P733 VanDerWaalsContact C-N 3.34Å; D731-P733 VanDerWaalsContact O-N 3.13Å; D731-A734 WeakPolarHBondContact O-CB 3.42Å; D731-A734 PolarHBondContact O-N 3.32Å |
| 732 | R | 68.1 | Low | 72.3 | Confident | 160 Ų | 160 | 106.8 Ų | 106.8 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -45.1 | -39.1 | 175.3 | -71.7 | 178.3 | 173.3 | 171.1 | -4.4 | 116.1 | A729 A734 D735 T736 | A729-R732 WeakPolarHBondContact O-CB 3.2Å; R732-A734 PolarHBondContact O-N 3.43Å; R732-A734 VanDerWaalsContact O-N 3.15Å; R732-D735 CarbonylContact O-C 3.59Å; R732-D735 PolarHBondContact O-N 3.04Å; R732-D735 VanDerWaalsContact O-N 3.11Å; R732-T736 WeakPolarHBondContact O-CG2 3.37Å; R732-T736 PolarHBondContact O-N 3.23Å; R732-T736 PolarHBondContact O-OG1 3.27Å; R732-T736 VanDerWaalsContact O-OG1 3.1Å |
| 733 | P | 68.6 | Low | 72.2 | Confident | 71 Ų | 71 | 107.9 Ų | 107.9 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -18.9 | 175.8 | 20.9 | -35.3 | 0 | 0 | 0 | 115.5 | R730 D731 T736 K737 | R730-P733 VanDerWaalsContact O-CD 3.22Å; R730-P733 WeakPolarHBondContact O-CD 3.23Å; R730-P733 VanDerWaalsContact O-CG 3.25Å; R730-P733 WeakPolarHBondContact O-CG 3.15Å; D731-P733 VanDerWaalsContact C-N 3.34Å; D731-P733 VanDerWaalsContact O-N 3.13Å; P733-T736 WeakPolarHBondContact CA-OG1 3.45Å; P733-K737 WeakPolarHBondContact O-CD 3.29Å; P733-K737 VanDerWaalsContact O-CG 3.31Å; P733-K737 WeakPolarHBondContact O-CG 3.39Å |
| 734 | A | 70.9 | Confident | 72.6 | Confident | 67 Ų | 67 | 113 Ų | 113 | 55% | 0.554 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -80.4 | -47.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | D731 R732 T736 K737 R738 | D731-A734 WeakPolarHBondContact O-CB 3.42Å; D731-A734 PolarHBondContact O-N 3.32Å; R732-A734 PolarHBondContact O-N 3.43Å; R732-A734 VanDerWaalsContact O-N 3.15Å; A734-T736 PolarHBondContact O-N 2.75Å; A734-K737 PolarHBondContact O-N 2.81Å; A734-R738 PolarHBondContact O-N 3.11Å |
| 735 | D | 66.6 | Low | 72.9 | Confident | 91 Ų | 91 | 114.3 Ų | 114.3 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -36 | 178.7 | -75.3 | -32 | 0 | 0 | 0 | 113 | R732 R738 M739 | R732-D735 CarbonylContact O-C 3.59Å; R732-D735 PolarHBondContact O-N 3.04Å; R732-D735 VanDerWaalsContact O-N 3.11Å; D735-R738 PolarHBondContact O-N 3.06Å; D735-M739 WeakPolarHBondContact O-CB 3.36Å; D735-M739 PolarHBondContact O-N 3.37Å |
| 736 | T | 74.6 | Confident | 73 | Confident | 60 Ų | 60 | 113.1 Ų | 113.1 | 37% | 0.368 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -32.3 | 176.3 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | R732 P733 A734 M739 Q740 | R732-T736 WeakPolarHBondContact O-CG2 3.37Å; R732-T736 PolarHBondContact O-N 3.23Å; R732-T736 PolarHBondContact O-OG1 3.27Å; R732-T736 VanDerWaalsContact O-OG1 3.1Å; P733-T736 WeakPolarHBondContact CA-OG1 3.45Å; A734-T736 PolarHBondContact O-N 2.75Å; T736-M739 PolarHBondContact O-N 3.38Å; T736-Q740 WeakPolarHBondContact O-CB 3.18Å; T736-Q740 WeakPolarHBondContact O-CG 3.43Å; T736-Q740 PolarHBondContact O-N 2.88Å |
| 737 | K | 80.3 | Confident | 73.4 | Confident | 139 Ų | 139 | 113.5 Ų | 113.5 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -47.9 | 170.8 | -74.1 | 175.3 | -178 | -179.8 | 0 | 111.1 | P733 A734 M739 Q740 D741 | P733-K737 WeakPolarHBondContact O-CD 3.29Å; P733-K737 VanDerWaalsContact O-CG 3.31Å; P733-K737 WeakPolarHBondContact O-CG 3.39Å; A734-K737 PolarHBondContact O-N 2.81Å; K737-M739 VanDerWaalsContact C-N 3.25Å; K737-M739 PolarHBondContact O-N 3.46Å; K737-Q740 PolarHBondContact O-N 3.22Å; K737-D741 PolarHBondContact O-N 2.95Å |
| 738 | R | 80.6 | Confident | 73.8 | Confident | 175 Ų | 175 | 110.9 Ų | 110.9 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.5 | -39.1 | 173 | 176.4 | 176.4 | -82.2 | -167.9 | -5.6 | 111.8 | A734 D735 L742 | A734-R738 PolarHBondContact O-N 3.11Å; D735-R738 PolarHBondContact O-N 3.06Å; R738-L742 HydrophobicContact CG-CD1 4.13Å; R738-L742 WeakPolarHBondContact O-CB 3.46Å; R738-L742 VanDerWaalsContact O-CG 3.27Å; R738-L742 WeakPolarHBondContact O-CG 3.32Å; R738-L742 PolarHBondContact O-N 2.88Å |
| 739 | M | 73.9 | Confident | 73.9 | Confident | 101 Ų | 101 | 108.6 Ų | 108.6 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.8 | -37.9 | 177.2 | -169.1 | -171.8 | -54.3 | 0 | 0 | 112.3 | D735 T736 K737 L742 Q743 | D735-M739 WeakPolarHBondContact O-CB 3.36Å; D735-M739 PolarHBondContact O-N 3.37Å; T736-M739 PolarHBondContact O-N 3.38Å; K737-M739 VanDerWaalsContact C-N 3.25Å; K737-M739 PolarHBondContact O-N 3.46Å; M739-L742 PolarHBondContact O-N 3.26Å; M739-Q743 VanDerWaalsContact O-CB 3.28Å; M739-Q743 WeakPolarHBondContact O-CB 3.38Å; M739-Q743 WeakPolarHBondContact O-CG 3.44Å; M739-Q743 PolarHBondContact O-N 2.94Å |
| 740 | Q | 80 | Confident | 74.1 | Confident | 119 Ų | 119 | 110.4 Ų | 110.4 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.9 | -37.8 | 173.6 | -77.4 | 168.7 | -1.5 | 0 | 0 | 111.7 | T736 K737 Q743 R744 | T736-Q740 WeakPolarHBondContact O-CB 3.18Å; T736-Q740 WeakPolarHBondContact O-CG 3.43Å; T736-Q740 PolarHBondContact O-N 2.88Å; K737-Q740 PolarHBondContact O-N 3.22Å; Q740-Q743 PolarHBondContact O-N 2.7Å; Q740-R744 VanDerWaalsContact O-CB 3.28Å; Q740-R744 WeakPolarHBondContact O-CB 3.33Å; Q740-R744 PolarHBondContact O-N 3.08Å |
| 741 | D | 80.5 | Confident | 74.4 | Confident | 72 Ų | 72 | 106.8 Ų | 106.8 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 173.4 | -76.3 | -14.1 | 0 | 0 | 0 | 111.9 | K737 R744 Q745 | K737-D741 PolarHBondContact O-N 2.95Å; D741-R744 WeakPolarHBondContact O-CB 3.44Å; D741-R744 PolarHBondContact O-N 3.49Å; D741-R744 IonicContact OD1-CZ 3.96Å; D741-R744 IonicContact OD1-NE 2.61Å; D741-R744 IonicContact OD1-NH2 3.03Å; D741-R744 PolarHBondContact OD1-NH2 3.2Å; D741-Q745 WeakPolarHBondContact O-CG 3.48Å; D741-Q745 PolarHBondContact O-N 3.42Å |
| 742 | L | 81.9 | Confident | 74.8 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 173 | -72.3 | 168.2 | 0 | 0 | 0 | 111.9 | R738 M739 R744 Q745 V746 | R738-L742 HydrophobicContact CG-CD1 4.13Å; R738-L742 WeakPolarHBondContact O-CB 3.46Å; R738-L742 VanDerWaalsContact O-CG 3.27Å; R738-L742 WeakPolarHBondContact O-CG 3.32Å; R738-L742 PolarHBondContact O-N 2.88Å; M739-L742 PolarHBondContact O-N 3.26Å; L742-R744 VanDerWaalsContact C-N 3.32Å; L742-R744 PolarHBondContact O-N 3.45Å; L742-Q745 PolarHBondContact O-N 3.46Å; L742-V746 VanDerWaalsContact O-CB 3.31Å; L742-V746 WeakPolarHBondContact O-CB 3.4Å; L742-V746 VanDerWaalsContact O-CG2 3.23Å; L742-V746 WeakPolarHBondContact O-CG2 3.42Å; L742-V746 PolarHBondContact O-N 3.31Å |
| 743 | Q | 77.9 | Confident | 74.5 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 174.5 | -77.3 | 173.4 | 1.4 | 0 | 0 | 112.6 | M739 Q740 K747 | M739-Q743 VanDerWaalsContact O-CB 3.28Å; M739-Q743 WeakPolarHBondContact O-CB 3.38Å; M739-Q743 WeakPolarHBondContact O-CG 3.44Å; M739-Q743 PolarHBondContact O-N 2.94Å; Q740-Q743 PolarHBondContact O-N 2.7Å; Q743-K747 VanDerWaalsContact O-CB 3.31Å; Q743-K747 WeakPolarHBondContact O-CB 3.47Å; Q743-K747 VanDerWaalsContact O-CG 3.23Å; Q743-K747 WeakPolarHBondContact O-CG 3.34Å; Q743-K747 PolarHBondContact O-N 3.24Å |
| 744 | R | 82.7 | Confident | 74.3 | Confident | 154 Ų | 154 | 107.8 Ų | 107.8 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.5 | -49.6 | 173.4 | 170.5 | 161.1 | 53.3 | 154 | -5.2 | 110.9 | Q740 D741 L742 V746 K747 E748 | Q740-R744 VanDerWaalsContact O-CB 3.28Å; Q740-R744 WeakPolarHBondContact O-CB 3.33Å; Q740-R744 PolarHBondContact O-N 3.08Å; D741-R744 WeakPolarHBondContact O-CB 3.44Å; D741-R744 PolarHBondContact O-N 3.49Å; D741-R744 IonicContact OD1-CZ 3.96Å; D741-R744 IonicContact OD1-NE 2.61Å; D741-R744 IonicContact OD1-NH2 3.03Å; D741-R744 PolarHBondContact OD1-NH2 3.2Å; L742-R744 VanDerWaalsContact C-N 3.32Å; L742-R744 PolarHBondContact O-N 3.45Å; R744-V746 PolarHBondContact O-N 2.97Å; R744-K747 PolarHBondContact O-N 2.89Å; R744-E748 PolarHBondContact O-N 3.48Å |
| 745 | Q | 80.2 | Confident | 73.9 | Confident | 109 Ų | 109 | 108.9 Ų | 108.9 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 174.8 | -71.3 | 175 | -6.6 | 0 | 0 | 112 | D741 L742 E748 L749 | D741-Q745 WeakPolarHBondContact O-CG 3.48Å; D741-Q745 PolarHBondContact O-N 3.42Å; L742-Q745 PolarHBondContact O-N 3.46Å; Q745-E748 PolarHBondContact O-N 2.89Å; Q745-L749 WeakPolarHBondContact O-CB 3.49Å; Q745-L749 VanDerWaalsContact O-CG 3.27Å; Q745-L749 WeakPolarHBondContact O-CG 3.44Å; Q745-L749 PolarHBondContact O-N 3.44Å |
| 746 | V | 72.6 | Confident | 74 | Confident | 71 Ų | 71 | 113.4 Ų | 113.4 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175 | 168.6 | 0 | 0 | 0 | 0 | 111 | L742 R744 E748 L749 E750 | L742-V746 VanDerWaalsContact O-CB 3.31Å; L742-V746 WeakPolarHBondContact O-CB 3.4Å; L742-V746 VanDerWaalsContact O-CG2 3.23Å; L742-V746 WeakPolarHBondContact O-CG2 3.42Å; L742-V746 PolarHBondContact O-N 3.31Å; R744-V746 PolarHBondContact O-N 2.97Å; V746-E748 PolarHBondContact O-N 3.5Å; V746-L749 PolarHBondContact O-N 2.88Å; V746-E750 HydrophobicContact CG1-CG 4.12Å; V746-E750 WeakPolarHBondContact O-CB 3.12Å; V746-E750 VanDerWaalsContact O-CG 3.26Å; V746-E750 WeakPolarHBondContact O-CG 3.32Å; V746-E750 PolarHBondContact O-N 2.89Å |
| 747 | K | 77.6 | Confident | 73.2 | Confident | 132 Ų | 132 | 115.6 Ų | 115.6 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 175.5 | -80 | 173.5 | 178.6 | 179.9 | 0 | 112.9 | Q743 R744 Q751 | Q743-K747 VanDerWaalsContact O-CB 3.31Å; Q743-K747 WeakPolarHBondContact O-CB 3.47Å; Q743-K747 VanDerWaalsContact O-CG 3.23Å; Q743-K747 WeakPolarHBondContact O-CG 3.34Å; Q743-K747 PolarHBondContact O-N 3.24Å; R744-K747 PolarHBondContact O-N 2.89Å; K747-Q751 VanDerWaalsContact O-CB 3.23Å; K747-Q751 WeakPolarHBondContact O-CB 3.29Å; K747-Q751 PolarHBondContact O-N 3.24Å |
| 748 | E | 77.9 | Confident | 72.4 | Confident | 116 Ų | 116 | 114.1 Ų | 114.1 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 173.5 | -71.9 | 178.6 | 135 | 0 | 0 | 111.3 | R744 Q745 V746 Q751 I752 | R744-E748 PolarHBondContact O-N 3.48Å; Q745-E748 PolarHBondContact O-N 2.89Å; V746-E748 PolarHBondContact O-N 3.5Å; E748-Q751 PolarHBondContact O-N 2.87Å; E748-I752 WeakPolarHBondContact O-CB 3.44Å; E748-I752 WeakPolarHBondContact O-CD1 3.5Å; E748-I752 VanDerWaalsContact O-CG1 3.24Å; E748-I752 WeakPolarHBondContact O-CG1 3.5Å; E748-I752 PolarHBondContact O-N 3.42Å |
| 749 | L | 67.4 | Low | 71.6 | Confident | 106 Ų | 106 | 113.3 Ų | 113.3 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62 | -44.1 | 175.6 | -72.2 | 167.8 | 0 | 0 | 0 | 112.3 | Q745 V746 Q751 I752 L753 | Q745-L749 WeakPolarHBondContact O-CB 3.49Å; Q745-L749 VanDerWaalsContact O-CG 3.27Å; Q745-L749 WeakPolarHBondContact O-CG 3.44Å; Q745-L749 PolarHBondContact O-N 3.44Å; V746-L749 PolarHBondContact O-N 2.88Å; L749-Q751 VanDerWaalsContact C-N 3.34Å; L749-Q751 PolarHBondContact O-N 2.74Å; L749-I752 PolarHBondContact O-N 2.97Å; L749-L753 WeakPolarHBondContact O-CB 3.19Å; L749-L753 VanDerWaalsContact O-CG 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.34Å; L749-L753 PolarHBondContact O-N 3.34Å |
| 750 | E | 69.8 | Low | 71.2 | Confident | 71 Ų | 71 | 110.9 Ų | 110.9 | 33% | 0.332 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 173.8 | -73.7 | 178.7 | -173.6 | 0 | 0 | 112.1 | V746 L753 R754 | V746-E750 HydrophobicContact CG1-CG 4.12Å; V746-E750 WeakPolarHBondContact O-CB 3.12Å; V746-E750 VanDerWaalsContact O-CG 3.26Å; V746-E750 WeakPolarHBondContact O-CG 3.32Å; V746-E750 PolarHBondContact O-N 2.89Å; E750-L753 PolarHBondContact O-N 3.41Å; E750-R754 VanDerWaalsContact CB-NH1 3.26Å; E750-R754 WeakPolarHBondContact O-CB 3.48Å; E750-R754 WeakPolarHBondContact O-CG 3.42Å; E750-R754 PolarHBondContact O-N 2.88Å; E750-R754 IonicContact OE2-CZ 2.67Å; E750-R754 IonicContact OE2-NH1 3.42Å; E750-R754 PolarHBondContact OE2-NH1 2.91Å; E750-R754 IonicContact OE2-NH2 3.74Å; E750-R754 PolarHBondContact OE2-NH2 3.15Å |
| 751 | Q | 70.6 | Confident | 70 | Confident | 136 Ų | 136 | 111.1 Ų | 111.1 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.6 | -35.3 | 177.8 | -173.5 | 165.9 | -12.6 | 0 | 0 | 111.3 | K747 E748 L749 S755 | K747-Q751 VanDerWaalsContact O-CB 3.23Å; K747-Q751 WeakPolarHBondContact O-CB 3.29Å; K747-Q751 PolarHBondContact O-N 3.24Å; E748-Q751 PolarHBondContact O-N 2.87Å; L749-Q751 VanDerWaalsContact C-N 3.34Å; L749-Q751 PolarHBondContact O-N 2.74Å; Q751-S755 WeakPolarHBondContact O-CB 3.36Å; Q751-S755 PolarHBondContact O-N 2.88Å; Q751-S755 PolarHBondContact O-OG 3.43Å |
| 752 | I | 68.4 | Low | 69 | Low | 79 Ų | 79 | 111.9 Ų | 111.9 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.6 | -37.1 | 170.6 | -68.5 | 162.8 | 0 | 0 | 0 | 111.2 | E748 L749 S755 R756 | E748-I752 WeakPolarHBondContact O-CB 3.44Å; E748-I752 WeakPolarHBondContact O-CD1 3.5Å; E748-I752 VanDerWaalsContact O-CG1 3.24Å; E748-I752 WeakPolarHBondContact O-CG1 3.5Å; E748-I752 PolarHBondContact O-N 3.42Å; L749-I752 PolarHBondContact O-N 2.97Å; I752-S755 PolarHBondContact O-OG 2.92Å; I752-R756 WeakPolarHBondContact O-CB 3.32Å; I752-R756 WeakPolarHBondContact O-CG 3.47Å; I752-R756 PolarHBondContact O-N 3.01Å |
| 753 | L | 62.3 | Low | 68 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.9 | -48.1 | 173.9 | -76.2 | 162.9 | 0 | 0 | 0 | 112 | L749 E750 S755 R756 | L749-L753 WeakPolarHBondContact O-CB 3.19Å; L749-L753 VanDerWaalsContact O-CG 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.34Å; L749-L753 PolarHBondContact O-N 3.34Å; E750-L753 PolarHBondContact O-N 3.41Å; L753-S755 VanDerWaalsContact C-N 3.3Å; L753-S755 PolarHBondContact O-N 2.83Å; L753-R756 PolarHBondContact O-N 2.82Å |
| 754 | R | 63.2 | Low | 67.2 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.3 | -36.8 | 177.6 | -74.6 | 170.1 | -176 | 119.8 | 10.4 | 112.7 | E750 | E750-R754 VanDerWaalsContact CB-NH1 3.26Å; E750-R754 WeakPolarHBondContact O-CB 3.48Å; E750-R754 WeakPolarHBondContact O-CG 3.42Å; E750-R754 PolarHBondContact O-N 2.88Å; E750-R754 IonicContact OE2-CZ 2.67Å; E750-R754 IonicContact OE2-NH1 3.42Å; E750-R754 PolarHBondContact OE2-NH1 2.91Å; E750-R754 IonicContact OE2-NH2 3.74Å; E750-R754 PolarHBondContact OE2-NH2 3.15Å |
| 755 | S | 63.8 | Low | 66 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -86 | -13.1 | -177.1 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | Q751 I752 L753 | Q751-S755 WeakPolarHBondContact O-CB 3.36Å; Q751-S755 PolarHBondContact O-N 2.88Å; Q751-S755 PolarHBondContact O-OG 3.43Å; I752-S755 PolarHBondContact O-OG 2.92Å; L753-S755 VanDerWaalsContact C-N 3.3Å; L753-S755 PolarHBondContact O-N 2.83Å |
| 756 | R | 66.9 | Low | 65.2 | Low | 185 Ų | 185 | 111.1 Ų | 111.1 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -105.6 | -18 | -175.5 | -77.2 | -175.4 | 155.8 | 136.8 | -2.2 | 116.2 | I752 L753 | I752-R756 WeakPolarHBondContact O-CB 3.32Å; I752-R756 WeakPolarHBondContact O-CG 3.47Å; I752-R756 PolarHBondContact O-N 3.01Å; L753-R756 PolarHBondContact O-N 2.82Å |
| 757 | N | 59 | Low | 64.5 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 57% | 0.567 | 57% | 0.574 | S | S | * | * | trans | -145.9 | 93.7 | 175 | -82 | -60.8 | 0 | 0 | 0 | 111 | N759 S760 | N757-N759 PolarHBondContact O-N 3.49Å; N757-S760 WeakPolarHBondContact O-CB 3.25Å; N757-S760 PolarHBondContact O-N 3.42Å | ||
| 758 | P | 62.4 | Low | 63.4 | Low | 108 Ų | 108 | 107.8 Ų | 107.8 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -24.5 | -175.8 | 24.8 | -34 | 0 | 0 | 0 | 113.7 | ||
| 759 | N | 65.2 | Low | 62.3 | Low | 158 Ų | 158 | 105.9 Ų | 105.9 | 85% | 0.845 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 23.1 | -179.7 | -62.9 | 1 | 0 | 0 | 0 | 112.9 | N757 | N757-N759 PolarHBondContact O-N 3.49Š|
| 760 | S | 64.4 | Low | 61.8 | Low | 51 Ų | 51 | 106.5 Ų | 106.5 | 36% | 0.357 | 58% | 0.58 | S | S | . | * | trans | -74.8 | 141.7 | 176 | -161.1 | 0 | 0 | 0 | 0 | 111.7 | N757 P762 A763 | N757-S760 WeakPolarHBondContact O-CB 3.25Å; N757-S760 PolarHBondContact O-N 3.42Å; S760-P762 VanDerWaalsContact C-N 3.31Å; S760-P762 VanDerWaalsContact O-N 3.1Å; S760-P762 WeakPolarHBondContact OG-CD 3.48Å; S760-A763 WeakPolarHBondContact O-CB 3.31Å; S760-A763 PolarHBondContact O-N 3.18Å | ||
| 761 | L | 55.6 | Low | 61 | Low | 123 Ų | 123 | 107.3 Ų | 107.3 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -43.9 | -43 | -178.7 | -103.1 | 159.9 | 0 | 0 | 0 | 115.1 | A763 L764 I765 | L761-A763 VanDerWaalsContact C-N 3.29Å; L761-A763 PolarHBondContact O-N 2.85Å; L761-L764 WeakPolarHBondContact O-CB 3.25Å; L761-L764 PolarHBondContact O-N 2.84Å; L761-L764 VanDerWaalsContact O-N 3.15Å; L761-I765 HydrophobicContact CD2-CD1 4.27Å; L761-I765 VanDerWaalsContact O-CG1 3.31Å; L761-I765 WeakPolarHBondContact O-CG1 3.4Å; L761-I765 PolarHBondContact O-N 3.45Å |
| 762 | P | 59.4 | Low | 59.9 | Low | 89 Ų | 89 | 104.1 Ų | 104.1 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.6 | -31.5 | 177.9 | -26.5 | 36.9 | 0 | 0 | 0 | 114.8 | S760 Y766 | S760-P762 VanDerWaalsContact C-N 3.31Å; S760-P762 VanDerWaalsContact O-N 3.1Å; S760-P762 WeakPolarHBondContact OG-CD 3.48Å; P762-Y766 WeakPolarHBondContact O-CB 3.11Å; P762-Y766 PolarHBondContact O-N 3.33Å |
| 763 | A | 60.5 | Low | 59.1 | Low | 51 Ų | 51 | 104.1 Ų | 104.1 | 42% | 0.421 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.3 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S760 L761 Y766 A767 | S760-A763 WeakPolarHBondContact O-CB 3.31Å; S760-A763 PolarHBondContact O-N 3.18Å; L761-A763 VanDerWaalsContact C-N 3.29Å; L761-A763 PolarHBondContact O-N 2.85Å; A763-Y766 PolarHBondContact O-N 2.97Å; A763-A767 PolarHBondContact O-N 3.02Å; A763-A767 VanDerWaalsContact O-N 3.1Å |
| 764 | L | 61.6 | Low | 58.2 | Low | 126 Ų | 126 | 101.2 Ų | 101.2 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -41.7 | 175.8 | -147.4 | 80.9 | 0 | 0 | 0 | 111.6 | L761 A767 A768 | L761-L764 WeakPolarHBondContact O-CB 3.25Å; L761-L764 PolarHBondContact O-N 2.84Å; L761-L764 VanDerWaalsContact O-N 3.15Å; L764-A767 PolarHBondContact O-N 3.03Å; L764-A768 WeakPolarHBondContact O-CB 3.43Å; L764-A768 PolarHBondContact O-N 3.49Å |
| 765 | I | 57.4 | Low | 57.2 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 55% | 0.549 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 176.4 | -68.4 | 163.9 | 0 | 0 | 0 | 111 | L761 A768 A769 | L761-I765 HydrophobicContact CD2-CD1 4.27Å; L761-I765 VanDerWaalsContact O-CG1 3.31Å; L761-I765 WeakPolarHBondContact O-CG1 3.4Å; L761-I765 PolarHBondContact O-N 3.45Å; I765-A768 PolarHBondContact O-N 3.27Å; I765-A769 WeakPolarHBondContact O-CB 3.16Å; I765-A769 PolarHBondContact O-N 2.78Å |
| 766 | Y | 63.6 | Low | 56 | Low | 157 Ų | 157 | 107.1 Ų | 107.1 | 62% | 0.616 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.6 | -37.2 | 177.8 | -160.2 | -99.7 | 0 | 0 | 0 | 112.4 | P762 A763 I770 | P762-Y766 WeakPolarHBondContact O-CB 3.11Å; P762-Y766 PolarHBondContact O-N 3.33Å; A763-Y766 PolarHBondContact O-N 2.97Å; Y766-I770 HydrophobicContact CD1-CD1 4.13Å; Y766-I770 HydrophobicContact CE1-CD1 3.86Å |
| 767 | A | 57.4 | Low | 54.9 | Low | 65 Ų | 65 | 102.7 Ų | 102.7 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.9 | -43.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A763 L764 A769 I770 A771 | A763-A767 PolarHBondContact O-N 3.02Å; A763-A767 VanDerWaalsContact O-N 3.1Å; L764-A767 PolarHBondContact O-N 3.03Å; A767-A769 VanDerWaalsContact C-N 3.35Å; A767-A769 PolarHBondContact O-N 3.27Å; A767-I770 PolarHBondContact O-N 2.81Å; A767-A771 PolarHBondContact O-N 2.8Å |
| 768 | A | 54.3 | Low | 53.9 | Low | 68 Ų | 68 | 104.3 Ų | 104.3 | 56% | 0.562 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.8 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L764 I765 I770 A771 | L764-A768 WeakPolarHBondContact O-CB 3.43Å; L764-A768 PolarHBondContact O-N 3.49Å; I765-A768 PolarHBondContact O-N 3.27Å; A768-I770 VanDerWaalsContact C-N 3.28Å; A768-I770 PolarHBondContact O-N 3.46Å; A768-A771 PolarHBondContact O-N 2.79Å |
| 769 | A | 55.4 | Low | 52.7 | Low | 76 Ų | 76 | 104.2 Ų | 104.2 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.1 | -28.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I765 A767 | I765-A769 WeakPolarHBondContact O-CB 3.16Å; I765-A769 PolarHBondContact O-N 2.78Å; A767-A769 VanDerWaalsContact C-N 3.35Å; A767-A769 PolarHBondContact O-N 3.27Å |
| 770 | I | 56.3 | Low | 51.5 | Low | 119 Ų | 119 | 102.6 Ų | 102.6 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -83.4 | -25.1 | 179.1 | -64.7 | 172.8 | 0 | 0 | 0 | 111.5 | Y766 A767 A768 G772 | Y766-I770 HydrophobicContact CD1-CD1 4.13Å; Y766-I770 HydrophobicContact CE1-CD1 3.86Å; A767-I770 PolarHBondContact O-N 2.81Å; A768-I770 VanDerWaalsContact C-N 3.28Å; A768-I770 PolarHBondContact O-N 3.46Å; I770-G772 PolarHBondContact O-N 3.35Å |
| 771 | A | 54.2 | Low | 50.1 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -14 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A767 A768 G773 | A767-A771 PolarHBondContact O-N 2.8Å; A768-A771 PolarHBondContact O-N 2.79Å; A771-G773 VanDerWaalsContact C-N 3.29Å; A771-G773 PolarHBondContact O-N 3.38Å |
| 772 | G | 47.3 | Very low | 49.5 | Very low | 69 Ų | 69 | 102.9 Ų | 102.9 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 6.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | I770 G774 | I770-G772 PolarHBondContact O-N 3.35Å; G772-G774 PolarHBondContact O-N 2.8Å |
| 773 | G | 50.5 | Low | 48.9 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -93.8 | 53.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A771 | A771-G773 VanDerWaalsContact C-N 3.29Å; A771-G773 PolarHBondContact O-N 3.38Å | ||
| 774 | G | 44.6 | Very low | 48.6 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | trans | -158.5 | 127.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G772 | G772-G774 PolarHBondContact O-N 2.8Š| ||
| 775 | E | 40.4 | Very low | 48 | Very low | 174 Ų | 174 | 106.6 Ų | 106.6 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | 57 | 116.1 | 156.5 | -53.9 | -148.2 | 102.6 | 0 | 0 | 122.5 | ||||
| 776 | K | 38.7 | Very low | 48 | Very low | 186 Ų | 186 | 106.4 Ų | 106.4 | 81% | 0.809 | 70% | 0.698 | S | S | * | * | trans | 44.8 | 98.4 | 139.4 | -67.4 | 175.7 | -179.7 | 164.2 | 0 | 120.6 | ||||
| 777 | A | 44.9 | Very low | 47.7 | Very low | 93 Ų | 93 | 100.5 Ų | 100.5 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | 57.2 | 112.4 | 124.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 778 | T | 37.1 | Very low | 48.2 | Very low | 140 Ų | 140 | 101.9 Ų | 101.9 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | -164.9 | 150.8 | 121.1 | 11.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 779 | S | 38.3 | Very low | 48.9 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | 34.8 | 112.3 | 156.5 | 58.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 780 | S | 38.8 | Very low | 49.9 | Very low | 124 Ų | 124 | 100.9 Ų | 100.9 | 87% | 0.867 | 66% | 0.656 | S | S | * | * | 55.5 | 112.4 | 128.1 | -167.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 781 | G | 35.1 | Very low | 51 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | trans | -173.7 | 25.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 782 | T | 43.5 | Very low | 52.4 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | trans | -15.5 | 141.4 | 164.1 | 47.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 783 | H | 46.6 | Very low | 54.1 | Low | 137 Ų | 137 | 101.5 Ų | 101.5 | 63% | 0.634 | 63% | 0.628 | S | S | * | * | cis | -179.1 | -178.9 | 30.5 | -105.8 | -16.6 | 0 | 0 | 0 | 109.9 | T787 | H783-T787 PolarHBondContact CD2-OG1 3.31Å; H783-T787 PolarHBondContact CE1-OG1 2.87Å; H783-T787 PolarHBondContact ND1-OG1 3.33Å; H783-T787 VanDerWaalsContact ND1-OG1 3.08Å; H783-T787 PolarHBondContact NE2-OG1 3.15Å | ||
| 784 | P | 54.2 | Low | 55.9 | Low | 88 Ų | 88 | 104.8 Ų | 104.8 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | S | Bend | cis | -136.7 | 164.3 | -34.7 | 39.9 | -24 | 0 | 0 | 0 | 114.6 | T787 | P784-T787 WeakPolarHBondContact CB-OG1 3.45Š|
| 785 | P | 50.3 | Low | 58.1 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | S | Bend | -121.1 | -16.7 | 113.8 | 33.7 | -34.5 | 0 | 0 | 0 | 113.1 | T787 | P785-T787 VanDerWaalsContact C-N 3.27Å; P785-T787 PolarHBondContact O-N 2.98Å | |
| 786 | N | 56.2 | Low | 60.3 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.9 | -12.5 | -172.7 | -129.2 | 19.9 | 0 | 0 | 0 | 114.5 | V788 N789 V790 | N786-V788 VanDerWaalsContact C-N 3.33Å; N786-V788 PolarHBondContact O-N 2.85Å; N786-N789 PolarHBondContact O-N 3.15Å; N786-V790 WeakPolarHBondContact O-CB 3.21Å; N786-V790 WeakPolarHBondContact O-CG2 3.38Å; N786-V790 PolarHBondContact O-N 3.08Å |
| 787 | T | 58.6 | Low | 62.9 | Low | 33 Ų | 33 | 99.2 Ų | 99.2 | 20% | 0.202 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -66 | -33.5 | -178.7 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | H783 P784 P785 L791 | H783-T787 PolarHBondContact CD2-OG1 3.31Å; H783-T787 PolarHBondContact CE1-OG1 2.87Å; H783-T787 PolarHBondContact ND1-OG1 3.33Å; H783-T787 VanDerWaalsContact ND1-OG1 3.08Å; H783-T787 PolarHBondContact NE2-OG1 3.15Å; P784-T787 WeakPolarHBondContact CB-OG1 3.45Å; P785-T787 VanDerWaalsContact C-N 3.27Å; P785-T787 PolarHBondContact O-N 2.98Å; T787-L791 HydrophobicContact CG2-CD1 3.97Å; T787-L791 HydrophobicContact CG2-CG 4.28Å; T787-L791 VanDerWaalsContact O-CB 3.24Å; T787-L791 WeakPolarHBondContact O-CB 3.32Å; T787-L791 WeakPolarHBondContact O-CG 3.3Å; T787-L791 PolarHBondContact O-N 2.82Å |
| 788 | V | 66.5 | Low | 65.1 | Low | 94 Ų | 94 | 100.7 Ų | 100.7 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.9 | -45.9 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | N786 L791 L792 | N786-V788 VanDerWaalsContact C-N 3.33Å; N786-V788 PolarHBondContact O-N 2.85Å; V788-L791 PolarHBondContact O-N 2.77Å; V788-L792 HydrophobicContact CG1-CD1 3.96Å; V788-L792 HydrophobicContact CG1-CG 4.41Å; V788-L792 WeakPolarHBondContact O-CB 3.26Å; V788-L792 VanDerWaalsContact O-CG 3.3Å; V788-L792 WeakPolarHBondContact O-CG 3.31Å; V788-L792 PolarHBondContact O-N 3.25Å |
| 789 | N | 69.5 | Low | 67.8 | Low | 83 Ų | 83 | 97.9 Ų | 97.9 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 175.3 | -69.2 | 4.8 | 0 | 0 | 0 | 111.1 | N786 L791 L792 E793 | N786-N789 PolarHBondContact O-N 3.15Å; N789-L791 VanDerWaalsContact C-N 3.28Å; N789-L791 PolarHBondContact O-N 2.89Å; N789-L792 CarbonylContact O-C 3.54Å; N789-L792 PolarHBondContact O-N 3.31Å; N789-E793 WeakPolarHBondContact O-CB 3.42Å; N789-E793 VanDerWaalsContact O-CG 3.27Å; N789-E793 WeakPolarHBondContact O-CG 3.24Å; N789-E793 PolarHBondContact O-N 3.43Å |
| 790 | V | 76.6 | Confident | 70.3 | Confident | 41 Ų | 41 | 97.7 Ų | 97.7 | 25% | 0.248 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 112.6 | N786 R794 | N786-V790 WeakPolarHBondContact O-CB 3.21Å; N786-V790 WeakPolarHBondContact O-CG2 3.38Å; N786-V790 PolarHBondContact O-N 3.08Å; V790-R794 HydrophobicContact CG1-CG 4.49Å; V790-R794 WeakPolarHBondContact O-CB 3.49Å; V790-R794 WeakPolarHBondContact O-CD 3.48Å; V790-R794 WeakPolarHBondContact O-CG 3.4Å; V790-R794 PolarHBondContact O-N 3.22Å |
| 791 | L | 78.9 | Confident | 72.7 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.9 | -33.3 | 173 | -76.1 | 172 | 0 | 0 | 0 | 112.8 | T787 V788 N789 R795 | T787-L791 HydrophobicContact CG2-CD1 3.97Å; T787-L791 HydrophobicContact CG2-CG 4.28Å; T787-L791 VanDerWaalsContact O-CB 3.24Å; T787-L791 WeakPolarHBondContact O-CB 3.32Å; T787-L791 WeakPolarHBondContact O-CG 3.3Å; T787-L791 PolarHBondContact O-N 2.82Å; V788-L791 PolarHBondContact O-N 2.77Å; N789-L791 VanDerWaalsContact C-N 3.28Å; N789-L791 PolarHBondContact O-N 2.89Å; L791-R795 WeakPolarHBondContact O-CB 3.39Å; L791-R795 PolarHBondContact O-N 2.86Å |
| 792 | L | 83.6 | Confident | 75.5 | Confident | 95 Ų | 95 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.7 | -46.2 | 174.3 | -72.6 | 172 | 0 | 0 | 0 | 111.2 | V788 N789 R794 R795 I796 | V788-L792 HydrophobicContact CG1-CD1 3.96Å; V788-L792 HydrophobicContact CG1-CG 4.41Å; V788-L792 WeakPolarHBondContact O-CB 3.26Å; V788-L792 VanDerWaalsContact O-CG 3.3Å; V788-L792 WeakPolarHBondContact O-CG 3.31Å; V788-L792 PolarHBondContact O-N 3.25Å; N789-L792 CarbonylContact O-C 3.54Å; N789-L792 PolarHBondContact O-N 3.31Å; L792-R794 PolarHBondContact O-N 2.85Å; L792-R795 CarbonylContact O-C 3.45Å; L792-R795 WeakPolarHBondContact O-CA 3.43Å; L792-R795 PolarHBondContact O-N 2.89Å; L792-I796 WeakPolarHBondContact O-CB 3.36Å; L792-I796 VanDerWaalsContact O-CG1 3.31Å; L792-I796 WeakPolarHBondContact O-CG1 3.37Å; L792-I796 PolarHBondContact O-N 2.99Å |
| 793 | E | 83.7 | Confident | 77.8 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54.4 | -50.7 | 170.3 | -70.9 | 157.4 | -164.4 | 0 | 0 | 110.2 | N789 R795 I796 Q797 | N789-E793 WeakPolarHBondContact O-CB 3.42Å; N789-E793 VanDerWaalsContact O-CG 3.27Å; N789-E793 WeakPolarHBondContact O-CG 3.24Å; N789-E793 PolarHBondContact O-N 3.43Å; E793-R795 PolarHBondContact O-N 3.27Å; E793-I796 PolarHBondContact O-N 3.26Å; E793-Q797 WeakPolarHBondContact O-CB 3.34Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.2Å; E793-Q797 PolarHBondContact O-N 3.02Å |
| 794 | R | 87.8 | Confident | 80.1 | Confident | 148 Ų | 148 | 93.2 Ų | 93.2 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.2 | -11.9 | 173.4 | -71.2 | 171.1 | -178 | 179.8 | 0.9 | 114.2 | V790 L792 R798 | V790-R794 HydrophobicContact CG1-CG 4.49Å; V790-R794 WeakPolarHBondContact O-CB 3.49Å; V790-R794 WeakPolarHBondContact O-CD 3.48Å; V790-R794 WeakPolarHBondContact O-CG 3.4Å; V790-R794 PolarHBondContact O-N 3.22Å; L792-R794 PolarHBondContact O-N 2.85Å; R794-R798 WeakPolarHBondContact O-CB 3.35Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-NE 3.05Å; R794-R798 PolarHBondContact O-NH2 3.07Å |
| 795 | R | 90.7 | Very high | 81.9 | Confident | 98 Ų | 98 | 95.9 Ų | 95.9 | 37% | 0.37 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -93.6 | -36.7 | 171.8 | -176.6 | 54.3 | 179.6 | 144.9 | -1.5 | 111.2 | L791 L792 E793 R798 L799 E802 | L791-R795 WeakPolarHBondContact O-CB 3.39Å; L791-R795 PolarHBondContact O-N 2.86Å; L792-R795 CarbonylContact O-C 3.45Å; L792-R795 WeakPolarHBondContact O-CA 3.43Å; L792-R795 PolarHBondContact O-N 2.89Å; E793-R795 PolarHBondContact O-N 3.27Å; R795-R798 PolarHBondContact O-N 2.63Å; R795-L799 HydrophobicContact CG-CD1 4.03Å; R795-L799 HydrophobicContact CG-CG 4.45Å; R795-L799 WeakPolarHBondContact O-CB 3.47Å; R795-L799 VanDerWaalsContact O-CG 3.26Å; R795-L799 WeakPolarHBondContact O-CG 3.09Å; R795-L799 PolarHBondContact O-N 3.15Å; R795-E802 IonicContact CZ-OE2 3.73Å; R795-E802 VanDerWaalsContact NH1-CD 3.26Å; R795-E802 IonicContact NH1-OE1 2.78Å; R795-E802 PolarHBondContact NH1-OE1 3.22Å; R795-E802 IonicContact NH1-OE2 3.76Å; R795-E802 PolarHBondContact NH1-OE2 3.22Å; R795-E802 IonicContact NH2-OE2 2.7Å |
| 796 | I | 87.8 | Confident | 84 | Confident | 89 Ų | 89 | 95.7 Ų | 95.7 | 46% | 0.456 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -55.9 | 171.5 | -70.3 | 163.4 | 0 | 0 | 0 | 108.8 | L792 E793 R798 L799 E800 | L792-I796 WeakPolarHBondContact O-CB 3.36Å; L792-I796 VanDerWaalsContact O-CG1 3.31Å; L792-I796 WeakPolarHBondContact O-CG1 3.37Å; L792-I796 PolarHBondContact O-N 2.99Å; E793-I796 PolarHBondContact O-N 3.26Å; I796-R798 PolarHBondContact O-N 2.97Å; I796-R798 VanDerWaalsContact O-N 3.11Å; I796-L799 CarbonylContact O-C 3.56Å; I796-L799 WeakPolarHBondContact O-CA 3.23Å; I796-L799 WeakPolarHBondContact O-CB 3.26Å; I796-L799 PolarHBondContact O-N 2.93Å; I796-E800 VanDerWaalsContact CG2-CD 3.45Å; I796-E800 HydrophobicContact CG2-CG 4.27Å; I796-E800 VanDerWaalsContact CG2-OE1 3.23Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.3Å; I796-E800 WeakPolarHBondContact O-CB 3.48Å; I796-E800 VanDerWaalsContact O-CG 3.32Å; I796-E800 WeakPolarHBondContact O-CG 3.43Å; I796-E800 PolarHBondContact O-N 3Å |
| 797 | Q | 92.4 | Very high | 85.7 | Confident | 120 Ų | 120 | 94.8 Ų | 94.8 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.6 | -33.5 | 174.8 | -70.8 | 171.5 | -14.2 | 0 | 0 | 113.7 | E793 E800 S801 | E793-Q797 WeakPolarHBondContact O-CB 3.34Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.2Å; E793-Q797 PolarHBondContact O-N 3.02Å; Q797-E800 VanDerWaalsContact CA-OE2 3.27Å; Q797-E800 WeakPolarHBondContact CA-OE2 3.47Å; Q797-E800 PolarHBondContact N-OE2 3.46Å; Q797-S801 WeakPolarHBondContact O-CB 3.48Å; Q797-S801 PolarHBondContact O-N 2.85Å; Q797-S801 PolarHBondContact O-OG 3.47Å |
| 798 | R | 92.2 | Very high | 87.4 | Confident | 124 Ų | 124 | 96.2 Ų | 96.2 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.5 | -48.4 | 173.1 | -90.5 | -176.6 | -67.1 | 160.4 | 3.9 | 111.7 | R794 R795 I796 E800 S801 E802 | R794-R798 WeakPolarHBondContact O-CB 3.35Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-NE 3.05Å; R794-R798 PolarHBondContact O-NH2 3.07Å; R795-R798 PolarHBondContact O-N 2.63Å; I796-R798 PolarHBondContact O-N 2.97Å; I796-R798 VanDerWaalsContact O-N 3.11Å; R798-E800 VanDerWaalsContact C-N 3.31Å; R798-E800 PolarHBondContact O-N 2.87Å; R798-S801 CarbonylContact O-C 3.6Å; R798-S801 PolarHBondContact O-N 3.18Å; R798-S801 VanDerWaalsContact O-N 3.16Å; R798-S801 PolarHBondContact O-OG 2.84Å; R798-E802 VanDerWaalsContact O-CB 3.31Å; R798-E802 WeakPolarHBondContact O-CB 3.38Å; R798-E802 WeakPolarHBondContact O-CG 3.46Å; R798-E802 PolarHBondContact O-N 2.89Å |
| 799 | L | 93.3 | Very high | 88.6 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 176.3 | -75.6 | 166.1 | 0 | 0 | 0 | 112.2 | R795 I796 E802 L803 | R795-L799 HydrophobicContact CG-CD1 4.03Å; R795-L799 HydrophobicContact CG-CG 4.45Å; R795-L799 WeakPolarHBondContact O-CB 3.47Å; R795-L799 VanDerWaalsContact O-CG 3.26Å; R795-L799 WeakPolarHBondContact O-CG 3.09Å; R795-L799 PolarHBondContact O-N 3.15Å; I796-L799 CarbonylContact O-C 3.56Å; I796-L799 WeakPolarHBondContact O-CA 3.23Å; I796-L799 WeakPolarHBondContact O-CB 3.26Å; I796-L799 PolarHBondContact O-N 2.93Å; L799-E802 PolarHBondContact O-N 2.94Å; L799-L803 VanDerWaalsContact O-CB 3.3Å; L799-L803 WeakPolarHBondContact O-CB 3.47Å; L799-L803 PolarHBondContact O-N 2.67Å |
| 800 | E | 90 | Very high | 89.6 | Confident | 101 Ų | 101 | 94.2 Ų | 94.2 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 172 | -70.4 | 163.8 | 160.4 | 0 | 0 | 109.7 | I796 Q797 R798 E802 L803 E804 | I796-E800 VanDerWaalsContact CG2-CD 3.45Å; I796-E800 HydrophobicContact CG2-CG 4.27Å; I796-E800 VanDerWaalsContact CG2-OE1 3.23Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.3Å; I796-E800 WeakPolarHBondContact O-CB 3.48Å; I796-E800 VanDerWaalsContact O-CG 3.32Å; I796-E800 WeakPolarHBondContact O-CG 3.43Å; I796-E800 PolarHBondContact O-N 3Å; Q797-E800 VanDerWaalsContact CA-OE2 3.27Å; Q797-E800 WeakPolarHBondContact CA-OE2 3.47Å; Q797-E800 PolarHBondContact N-OE2 3.46Å; R798-E800 VanDerWaalsContact C-N 3.31Å; R798-E800 PolarHBondContact O-N 2.87Å; E800-E802 VanDerWaalsContact C-N 3.27Å; E800-E802 PolarHBondContact O-N 2.99Å; E800-L803 PolarHBondContact O-N 3.44Å; E800-E804 WeakPolarHBondContact O-CB 3.35Å; E800-E804 WeakPolarHBondContact O-CG 3.22Å; E800-E804 PolarHBondContact O-N 2.81Å |
| 801 | S | 90.3 | Very high | 90.4 | Very high | 34 Ų | 34 | 96.8 Ų | 96.8 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -71.2 | -15.6 | 176 | 83 | 0 | 0 | 0 | 0 | 115.1 | Q797 R798 R805 | Q797-S801 WeakPolarHBondContact O-CB 3.48Å; Q797-S801 PolarHBondContact O-N 2.85Å; Q797-S801 PolarHBondContact O-OG 3.47Å; R798-S801 CarbonylContact O-C 3.6Å; R798-S801 PolarHBondContact O-N 3.18Å; R798-S801 VanDerWaalsContact O-N 3.16Å; R798-S801 PolarHBondContact O-OG 2.84Å; S801-R805 WeakPolarHBondContact O-CB 3.33Å; S801-R805 VanDerWaalsContact O-CG 3.26Å; S801-R805 WeakPolarHBondContact O-CG 3.48Å; S801-R805 PolarHBondContact O-N 3.15Å; S801-R805 PolarHBondContact O-NH1 3.04Å; S801-R805 PolarHBondContact OG-NH1 3.24Å |
| 802 | E | 92.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 98.4 Ų | 98.4 | 33% | 0.332 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -81.9 | -42 | 171.9 | -76.7 | 157.5 | -149.2 | 0 | 0 | 108.8 | R795 R798 L799 E800 R805 H806 | R795-E802 IonicContact CZ-OE2 3.73Å; R795-E802 VanDerWaalsContact NH1-CD 3.26Å; R795-E802 IonicContact NH1-OE1 2.78Å; R795-E802 PolarHBondContact NH1-OE1 3.22Å; R795-E802 IonicContact NH1-OE2 3.76Å; R795-E802 PolarHBondContact NH1-OE2 3.22Å; R795-E802 IonicContact NH2-OE2 2.7Å; R798-E802 VanDerWaalsContact O-CB 3.31Å; R798-E802 WeakPolarHBondContact O-CB 3.38Å; R798-E802 WeakPolarHBondContact O-CG 3.46Å; R798-E802 PolarHBondContact O-N 2.89Å; L799-E802 PolarHBondContact O-N 2.94Å; E800-E802 VanDerWaalsContact C-N 3.27Å; E800-E802 PolarHBondContact O-N 2.99Å; E802-R805 PolarHBondContact O-N 3.46Å; E802-H806 PolarHBondContact O-CD2 3.29Å; E802-H806 PolarHBondContact O-N 3.31Å |
| 803 | L | 93.3 | Very high | 91.6 | Very high | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.7 | -49 | 173.5 | -168.9 | 74.8 | 0 | 0 | 0 | 111.7 | L799 E800 R805 H806 D807 | L799-L803 VanDerWaalsContact O-CB 3.3Å; L799-L803 WeakPolarHBondContact O-CB 3.47Å; L799-L803 PolarHBondContact O-N 2.67Å; E800-L803 PolarHBondContact O-N 3.44Å; L803-R805 PolarHBondContact O-N 3.43Å; L803-H806 CarbonylContact O-C 3.6Å; L803-H806 PolarHBondContact O-N 2.94Å; L803-H806 VanDerWaalsContact O-N 3.09Å; L803-D807 PolarHBondContact O-N 2.75Å |
| 804 | E | 93.8 | Very high | 92.1 | Very high | 131 Ų | 131 | 97.4 Ų | 97.4 | 61% | 0.612 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59 | -35.5 | 175 | -73.5 | 177.5 | 163.6 | 0 | 0 | 112.2 | E800 E808 | E800-E804 WeakPolarHBondContact O-CB 3.35Å; E800-E804 WeakPolarHBondContact O-CG 3.22Å; E800-E804 PolarHBondContact O-N 2.81Å; E804-E808 WeakPolarHBondContact O-CB 3.48Å; E804-E808 PolarHBondContact O-N 3.14Å |
| 805 | R | 92.8 | Very high | 92.3 | Very high | 145 Ų | 145 | 95.6 Ų | 95.6 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -47.5 | 172.5 | -87.6 | -178.3 | -174.4 | 82.4 | -2.5 | 111.5 | S801 E802 L803 D807 E808 E809 | S801-R805 WeakPolarHBondContact O-CB 3.33Å; S801-R805 VanDerWaalsContact O-CG 3.26Å; S801-R805 WeakPolarHBondContact O-CG 3.48Å; S801-R805 PolarHBondContact O-N 3.15Å; S801-R805 PolarHBondContact O-NH1 3.04Å; S801-R805 PolarHBondContact OG-NH1 3.24Å; E802-R805 PolarHBondContact O-N 3.46Å; L803-R805 PolarHBondContact O-N 3.43Å; R805-D807 VanDerWaalsContact C-N 3.34Å; R805-E808 CarbonylContact O-C 3.56Å; R805-E808 PolarHBondContact O-N 3.35Å; R805-E809 WeakPolarHBondContact O-CB 3.26Å; R805-E809 WeakPolarHBondContact O-CG 3.46Å; R805-E809 PolarHBondContact O-N 2.96Å |
| 806 | H | 93.3 | Very high | 92.5 | Very high | 115 Ų | 115 | 94.2 Ų | 94.2 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 177.5 | -73.5 | -35 | 0 | 0 | 0 | 112.7 | E802 L803 E809 A810 | E802-H806 PolarHBondContact O-CD2 3.29Å; E802-H806 PolarHBondContact O-N 3.31Å; L803-H806 CarbonylContact O-C 3.6Å; L803-H806 PolarHBondContact O-N 2.94Å; L803-H806 VanDerWaalsContact O-N 3.09Å; H806-E809 IonicContact CE1-OE2 3.33Å; H806-E809 IonicContact CG-OE2 3.59Å; H806-E809 IonicContact ND1-OE2 2.71Å; H806-E809 PolarHBondContact ND1-OE2 3.34Å; H806-E809 PolarHBondContact O-N 3.21Å; H806-A810 VanDerWaalsContact O-CB 3.3Å; H806-A810 WeakPolarHBondContact O-CB 3.44Å; H806-A810 PolarHBondContact O-N 2.83Å |
| 807 | D | 91.9 | Very high | 92.4 | Very high | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 172.3 | -81.6 | -13.6 | 0 | 0 | 0 | 111.5 | L803 R805 A810 K811 | L803-D807 PolarHBondContact O-N 2.75Å; R805-D807 VanDerWaalsContact C-N 3.34Å; D807-A810 PolarHBondContact O-N 2.81Å; D807-K811 WeakPolarHBondContact O-CB 3.25Å; D807-K811 WeakPolarHBondContact O-CE 3.41Å; D807-K811 WeakPolarHBondContact O-CG 3.19Å; D807-K811 PolarHBondContact O-N 2.94Å |
| 808 | E | 94.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 93.8 Ų | 93.8 | 30% | 0.299 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71 | -30.1 | 173.2 | -77.8 | -55.9 | 135.3 | 0 | 0 | 113 | E804 R805 K811 R812 R815 | E804-E808 WeakPolarHBondContact O-CB 3.48Å; E804-E808 PolarHBondContact O-N 3.14Å; R805-E808 CarbonylContact O-C 3.56Å; R805-E808 PolarHBondContact O-N 3.35Å; E808-K811 VanDerWaalsContact OE1-CD 3.26Å; E808-K811 WeakPolarHBondContact OE1-CD 3.49Å; E808-K811 WeakPolarHBondContact OE1-CE 3.4Å; E808-K811 IonicContact OE1-NZ 3.77Å; E808-K811 PolarHBondContact OE1-NZ 3.25Å; E808-R812 VanDerWaalsContact C-NH1 3.26Å; E808-R812 WeakPolarHBondContact O-CB 3.24Å; E808-R812 WeakPolarHBondContact O-CG 3.36Å; E808-R812 PolarHBondContact O-N 2.82Å; E808-R812 PolarHBondContact O-NH1 3.47Å; E808-R815 IonicContact OE2-NH2 2.8Å; E808-R815 PolarHBondContact OE2-NH2 3.49Å |
| 809 | E | 92.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 94.1 Ų | 94.1 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 170.1 | -75.1 | 160 | -168.7 | 0 | 0 | 110.8 | R805 H806 K811 R812 T813 | R805-E809 WeakPolarHBondContact O-CB 3.26Å; R805-E809 WeakPolarHBondContact O-CG 3.46Å; R805-E809 PolarHBondContact O-N 2.96Å; H806-E809 IonicContact CE1-OE2 3.33Å; H806-E809 IonicContact CG-OE2 3.59Å; H806-E809 IonicContact ND1-OE2 2.71Å; H806-E809 PolarHBondContact ND1-OE2 3.34Å; H806-E809 PolarHBondContact O-N 3.21Å; E809-K811 PolarHBondContact O-N 3.28Å; E809-R812 CarbonylContact O-C 3.58Å; E809-R812 WeakPolarHBondContact O-CA 3.36Å; E809-R812 WeakPolarHBondContact O-CB 3.13Å; E809-R812 PolarHBondContact O-N 3.31Å; E809-T813 PolarHBondContact O-N 3.39Å; E809-T813 PolarHBondContact O-OG1 3.46Å |
| 810 | A | 89.4 | Confident | 92 | Very high | 51 Ų | 51 | 95.7 Ų | 95.7 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H806 D807 R812 T813 L814 | H806-A810 VanDerWaalsContact O-CB 3.3Å; H806-A810 WeakPolarHBondContact O-CB 3.44Å; H806-A810 PolarHBondContact O-N 2.83Å; D807-A810 PolarHBondContact O-N 2.81Å; A810-R812 VanDerWaalsContact C-N 3.32Å; A810-R812 PolarHBondContact O-N 2.72Å; A810-T813 WeakPolarHBondContact CA-OG1 3.21Å; A810-T813 PolarHBondContact O-N 2.89Å; A810-T813 PolarHBondContact O-OG1 3.08Å; A810-T813 VanDerWaalsContact O-OG1 3.06Å; A810-L814 WeakPolarHBondContact O-CB 3.49Å; A810-L814 PolarHBondContact O-N 3.46Å |
| 811 | K | 94.4 | Very high | 92.1 | Very high | 96 Ų | 96 | 97 Ų | 97 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 171.7 | -67.5 | 166.3 | -142.8 | 168.9 | 0 | 111.7 | D807 E808 E809 R815 | D807-K811 WeakPolarHBondContact O-CB 3.25Å; D807-K811 WeakPolarHBondContact O-CE 3.41Å; D807-K811 WeakPolarHBondContact O-CG 3.19Å; D807-K811 PolarHBondContact O-N 2.94Å; E808-K811 VanDerWaalsContact OE1-CD 3.26Å; E808-K811 WeakPolarHBondContact OE1-CD 3.49Å; E808-K811 WeakPolarHBondContact OE1-CE 3.4Å; E808-K811 IonicContact OE1-NZ 3.77Å; E808-K811 PolarHBondContact OE1-NZ 3.25Å; E809-K811 PolarHBondContact O-N 3.28Å; K811-R815 VanDerWaalsContact CB-NH2 3.31Å; K811-R815 WeakPolarHBondContact O-CB 3.47Å; K811-R815 WeakPolarHBondContact O-CG 3.33Å; K811-R815 PolarHBondContact O-N 3.03Å; K811-R815 PolarHBondContact O-NE 2.91Å |
| 812 | R | 94.7 | Very high | 92.2 | Very high | 129 Ų | 129 | 100.8 Ų | 100.8 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.8 | -46.7 | 174.7 | -75.5 | 166.9 | -158.2 | 115.6 | 3 | 111.3 | E808 E809 A810 R815 T816 | E808-R812 VanDerWaalsContact C-NH1 3.26Å; E808-R812 WeakPolarHBondContact O-CB 3.24Å; E808-R812 WeakPolarHBondContact O-CG 3.36Å; E808-R812 PolarHBondContact O-N 2.82Å; E808-R812 PolarHBondContact O-NH1 3.47Å; E809-R812 CarbonylContact O-C 3.58Å; E809-R812 WeakPolarHBondContact O-CA 3.36Å; E809-R812 WeakPolarHBondContact O-CB 3.13Å; E809-R812 PolarHBondContact O-N 3.31Å; A810-R812 VanDerWaalsContact C-N 3.32Å; A810-R812 PolarHBondContact O-N 2.72Å; R812-R815 PolarHBondContact O-N 3.27Å; R812-T816 PolarHBondContact O-N 3.17Å; R812-T816 PolarHBondContact O-OG1 2.96Å |
| 813 | T | 92.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 103.7 Ų | 103.7 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 178.3 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | E809 A810 T816 I817 | E809-T813 PolarHBondContact O-N 3.39Å; E809-T813 PolarHBondContact O-OG1 3.46Å; A810-T813 WeakPolarHBondContact CA-OG1 3.21Å; A810-T813 PolarHBondContact O-N 2.89Å; A810-T813 PolarHBondContact O-OG1 3.08Å; A810-T813 VanDerWaalsContact O-OG1 3.06Å; T813-T816 VanDerWaalsContact CA-OG1 3.32Å; T813-T816 WeakPolarHBondContact CA-OG1 3.42Å; T813-T816 PolarHBondContact O-N 3.46Å; T813-T816 PolarHBondContact O-OG1 2.79Å; T813-I817 VanDerWaalsContact O-CG1 3.29Å; T813-I817 WeakPolarHBondContact O-CG1 3.39Å; T813-I817 PolarHBondContact O-N 3.45Å |
| 814 | L | 93.8 | Very high | 92.1 | Very high | 94 Ų | 94 | 102.9 Ų | 102.9 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 172.2 | -173.7 | 146.1 | 0 | 0 | 0 | 111 | A810 T816 I817 E818 | A810-L814 WeakPolarHBondContact O-CB 3.49Å; A810-L814 PolarHBondContact O-N 3.46Å; L814-T816 VanDerWaalsContact C-N 3.31Å; L814-T816 PolarHBondContact O-N 2.77Å; L814-I817 PolarHBondContact O-N 3Å; L814-I817 VanDerWaalsContact O-N 3.1Å; L814-E818 VanDerWaalsContact CD2-CD 3.44Å; L814-E818 HydrophobicContact CD2-CG 4.08Å; L814-E818 WeakPolarHBondContact CD2-OE1 3.35Å; L814-E818 WeakPolarHBondContact O-CG 3.47Å; L814-E818 PolarHBondContact O-N 2.9Å |
| 815 | R | 93.6 | Very high | 92 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 42% | 0.415 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.8 | -37 | 174 | -77.7 | 173.4 | -73.4 | -157.8 | -2.7 | 113.2 | E808 K811 R812 Q819 | E808-R815 IonicContact OE2-NH2 2.8Å; E808-R815 PolarHBondContact OE2-NH2 3.49Å; K811-R815 VanDerWaalsContact CB-NH2 3.31Å; K811-R815 WeakPolarHBondContact O-CB 3.47Å; K811-R815 WeakPolarHBondContact O-CG 3.33Å; K811-R815 PolarHBondContact O-N 3.03Å; K811-R815 PolarHBondContact O-NE 2.91Å; R812-R815 PolarHBondContact O-N 3.27Å; R815-Q819 WeakPolarHBondContact O-CB 3.36Å; R815-Q819 VanDerWaalsContact O-CG 3.22Å; R815-Q819 WeakPolarHBondContact O-CG 3.43Å; R815-Q819 PolarHBondContact O-N 2.89Å |
| 816 | T | 94 | Very high | 91.9 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 42% | 0.423 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.3 | -33 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | R812 T813 L814 Q819 Q820 | R812-T816 PolarHBondContact O-N 3.17Å; R812-T816 PolarHBondContact O-OG1 2.96Å; T813-T816 VanDerWaalsContact CA-OG1 3.32Å; T813-T816 WeakPolarHBondContact CA-OG1 3.42Å; T813-T816 PolarHBondContact O-N 3.46Å; T813-T816 PolarHBondContact O-OG1 2.79Å; L814-T816 VanDerWaalsContact C-N 3.31Å; L814-T816 PolarHBondContact O-N 2.77Å; T816-Q819 PolarHBondContact O-N 2.82Å; T816-Q820 WeakPolarHBondContact O-CG 3.41Å; T816-Q820 PolarHBondContact O-N 2.85Å |
| 817 | I | 86.4 | Confident | 91.7 | Very high | 105 Ų | 105 | 96.1 Ų | 96.1 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.7 | -39.3 | 174.8 | -68.7 | 163.3 | 0 | 0 | 0 | 110.1 | T813 L814 Q819 Q820 F821 | T813-I817 VanDerWaalsContact O-CG1 3.29Å; T813-I817 WeakPolarHBondContact O-CG1 3.39Å; T813-I817 PolarHBondContact O-N 3.45Å; L814-I817 PolarHBondContact O-N 3Å; L814-I817 VanDerWaalsContact O-N 3.1Å; I817-Q819 VanDerWaalsContact C-N 3.35Å; I817-Q820 PolarHBondContact O-N 3.25Å; I817-F821 WeakPolarHBondContact O-CB 3.37Å; I817-F821 PolarHBondContact O-N 3.44Å |
| 818 | E | 86.6 | Confident | 91.7 | Very high | 95 Ų | 95 | 99 Ų | 99 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 169.9 | -72.4 | 175.6 | 144.2 | 0 | 0 | 111.1 | L814 F821 H822 | L814-E818 VanDerWaalsContact CD2-CD 3.44Å; L814-E818 HydrophobicContact CD2-CG 4.08Å; L814-E818 WeakPolarHBondContact CD2-OE1 3.35Å; L814-E818 WeakPolarHBondContact O-CG 3.47Å; L814-E818 PolarHBondContact O-N 2.9Å; E818-F821 PolarHBondContact O-N 3.48Å; E818-H822 WeakPolarHBondContact O-CB 3.29Å; E818-H822 PolarHBondContact O-N 3.13Å; E818-H822 PolarHBondContact O-ND1 2.94Å |
| 819 | Q | 92.7 | Very high | 91.6 | Very high | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 175.4 | -75.9 | 168.2 | -7.5 | 0 | 0 | 112.1 | R815 T816 I817 H822 Q823 | R815-Q819 WeakPolarHBondContact O-CB 3.36Å; R815-Q819 VanDerWaalsContact O-CG 3.22Å; R815-Q819 WeakPolarHBondContact O-CG 3.43Å; R815-Q819 PolarHBondContact O-N 2.89Å; T816-Q819 PolarHBondContact O-N 2.82Å; I817-Q819 VanDerWaalsContact C-N 3.35Å; Q819-H822 PolarHBondContact O-N 3.19Å; Q819-Q823 WeakPolarHBondContact O-CB 3.48Å; Q819-Q823 PolarHBondContact O-N 3.1Å |
| 820 | Q | 89.3 | Confident | 91.5 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.8 | -76.3 | -177.2 | -18.1 | 0 | 0 | 112.3 | T816 I817 Q823 I824 | T816-Q820 WeakPolarHBondContact O-CG 3.41Å; T816-Q820 PolarHBondContact O-N 2.85Å; I817-Q820 PolarHBondContact O-N 3.25Å; Q820-Q823 PolarHBondContact O-N 3.2Å; Q820-I824 WeakPolarHBondContact O-CB 3.23Å; Q820-I824 VanDerWaalsContact O-CG1 3.25Å; Q820-I824 WeakPolarHBondContact O-CG1 3.43Å; Q820-I824 PolarHBondContact O-N 3.12Å |
| 821 | F | 92.3 | Very high | 91.4 | Very high | 127 Ų | 127 | 103.5 Ų | 103.5 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 173.4 | 172.6 | -97.7 | 0 | 0 | 0 | 111.2 | I817 E818 Q823 I824 K825 | I817-F821 WeakPolarHBondContact O-CB 3.37Å; I817-F821 PolarHBondContact O-N 3.44Å; E818-F821 PolarHBondContact O-N 3.48Å; F821-Q823 VanDerWaalsContact C-N 3.35Å; F821-Q823 PolarHBondContact O-N 3.24Å; F821-I824 PolarHBondContact O-N 2.74Å; F821-K825 HydrophobicContact CE1-CD 4.34Å; F821-K825 WeakPolarHBondContact O-CB 3.38Å; F821-K825 PolarHBondContact O-N 3.17Å |
| 822 | H | 91.6 | Very high | 91.1 | Very high | 115 Ų | 115 | 103 Ų | 103 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 175.4 | -75.9 | 86.5 | 0 | 0 | 0 | 111.6 | E818 Q819 K825 L826 | E818-H822 WeakPolarHBondContact O-CB 3.29Å; E818-H822 PolarHBondContact O-N 3.13Å; E818-H822 PolarHBondContact O-ND1 2.94Å; Q819-H822 PolarHBondContact O-N 3.19Å; H822-K825 PolarHBondContact O-N 3.01Å; H822-L826 VanDerWaalsContact O-CB 3.25Å; H822-L826 WeakPolarHBondContact O-CB 3.25Å; H822-L826 PolarHBondContact O-N 3.28Å |
| 823 | Q | 93 | Very high | 90.8 | Very high | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -48.1 | 176.6 | -174.3 | 177.3 | 6.1 | 0 | 0 | 112 | Q819 Q820 F821 K825 L826 C827 | Q819-Q823 WeakPolarHBondContact O-CB 3.48Å; Q819-Q823 PolarHBondContact O-N 3.1Å; Q820-Q823 PolarHBondContact O-N 3.2Å; F821-Q823 VanDerWaalsContact C-N 3.35Å; F821-Q823 PolarHBondContact O-N 3.24Å; Q823-K825 VanDerWaalsContact C-N 3.35Å; Q823-L826 PolarHBondContact O-N 3.36Å; Q823-C827 PolarHBondContact O-N 3.24Å; Q823-C827 PolarHBondContact O-SG 2.81Å; Q823-C827 VanDerWaalsContact O-SG 3.32Å |
| 824 | I | 90.4 | Very high | 90.7 | Very high | 94 Ų | 94 | 102.2 Ų | 102.2 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.9 | -70.4 | 165.5 | 0 | 0 | 0 | 110.4 | Q820 F821 L826 C827 Y828 | Q820-I824 WeakPolarHBondContact O-CB 3.23Å; Q820-I824 VanDerWaalsContact O-CG1 3.25Å; Q820-I824 WeakPolarHBondContact O-CG1 3.43Å; Q820-I824 PolarHBondContact O-N 3.12Å; F821-I824 PolarHBondContact O-N 2.74Å; I824-L826 VanDerWaalsContact C-N 3.34Å; I824-L826 PolarHBondContact O-N 3.07Å; I824-C827 PolarHBondContact O-N 2.85Å; I824-Y828 HydrophobicContact CG2-CD2 3.72Å; I824-Y828 HydrophobicContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact O-CD2 3.29Å; I824-Y828 WeakPolarHBondContact O-CD2 3.43Å; I824-Y828 PolarHBondContact O-N 2.88Å |
| 825 | K | 92.3 | Very high | 90.1 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 173.5 | 179.9 | -173.4 | 162.6 | -172.9 | 0 | 110.8 | F821 H822 Q823 C827 Y828 E829 | F821-K825 HydrophobicContact CE1-CD 4.34Å; F821-K825 WeakPolarHBondContact O-CB 3.38Å; F821-K825 PolarHBondContact O-N 3.17Å; H822-K825 PolarHBondContact O-N 3.01Å; Q823-K825 VanDerWaalsContact C-N 3.35Å; K825-C827 VanDerWaalsContact C-N 3.34Å; K825-C827 PolarHBondContact O-N 3.06Å; K825-Y828 CarbonylContact O-C 3.58Å; K825-Y828 PolarHBondContact O-N 2.87Å; K825-Y828 VanDerWaalsContact O-N 3.14Å; K825-E829 WeakPolarHBondContact CE-OE1 3.35Å; K825-E829 VanDerWaalsContact CE-OE2 3.24Å; K825-E829 WeakPolarHBondContact CE-OE2 3.43Å; K825-E829 HydrophobicContact CG-CG 4.37Å; K825-E829 IonicContact NZ-OE1 2.68Å; K825-E829 PolarHBondContact NZ-OE1 3.38Å; K825-E829 VanDerWaalsContact NZ-OE1 3.16Å; K825-E829 IonicContact NZ-OE2 2.83Å; K825-E829 WeakPolarHBondContact O-CB 3.25Å; K825-E829 WeakPolarHBondContact O-CG 3.19Å; K825-E829 PolarHBondContact O-N 2.87Å |
| 826 | L | 91.2 | Very high | 89.6 | Confident | 92 Ų | 92 | 102 Ų | 102 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -33.1 | -179.1 | -147.1 | 152.1 | 0 | 0 | 0 | 111.6 | H822 Q823 I824 Q830 | H822-L826 VanDerWaalsContact O-CB 3.25Å; H822-L826 WeakPolarHBondContact O-CB 3.25Å; H822-L826 PolarHBondContact O-N 3.28Å; Q823-L826 PolarHBondContact O-N 3.36Å; I824-L826 VanDerWaalsContact C-N 3.34Å; I824-L826 PolarHBondContact O-N 3.07Å; L826-Q830 HydrophobicContact CD2-CG 4.12Å; L826-Q830 VanDerWaalsContact O-CB 3.28Å; L826-Q830 WeakPolarHBondContact O-CB 3.48Å; L826-Q830 VanDerWaalsContact O-CG 3.25Å; L826-Q830 WeakPolarHBondContact O-CG 3.32Å; L826-Q830 PolarHBondContact O-N 3.36Å |
| 827 | C | 89 | Confident | 89 | Confident | 68 Ų | 68 | 104 Ų | 104 | 46% | 0.459 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 169.1 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | Q823 I824 K825 Q831 | Q823-C827 PolarHBondContact O-N 3.24Å; Q823-C827 PolarHBondContact O-SG 2.81Å; Q823-C827 VanDerWaalsContact O-SG 3.32Å; I824-C827 PolarHBondContact O-N 2.85Å; K825-C827 VanDerWaalsContact C-N 3.34Å; K825-C827 PolarHBondContact O-N 3.06Å; C827-Q831 WeakPolarHBondContact O-CB 3.41Å; C827-Q831 PolarHBondContact O-N 2.84Å |
| 828 | Y | 91.9 | Very high | 88.5 | Confident | 144 Ų | 144 | 104 Ų | 104 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.9 | -37.6 | 174 | -74.9 | -53.3 | 0 | 0 | 0 | 112.8 | I824 K825 Q830 Q831 I832 | I824-Y828 HydrophobicContact CG2-CD2 3.72Å; I824-Y828 HydrophobicContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact O-CD2 3.29Å; I824-Y828 WeakPolarHBondContact O-CD2 3.43Å; I824-Y828 PolarHBondContact O-N 2.88Å; K825-Y828 CarbonylContact O-C 3.58Å; K825-Y828 PolarHBondContact O-N 2.87Å; K825-Y828 VanDerWaalsContact O-N 3.14Å; Y828-Q830 VanDerWaalsContact C-N 3.35Å; Y828-Q831 PolarHBondContact O-N 3.35Å; Y828-I832 WeakPolarHBondContact O-CB 3.45Å; Y828-I832 WeakPolarHBondContact O-CD1 3.34Å; Y828-I832 WeakPolarHBondContact O-CG1 3.09Å; Y828-I832 PolarHBondContact O-N 3.44Å |
| 829 | E | 91.1 | Very high | 87.5 | Confident | 88 Ų | 88 | 104.9 Ų | 104.9 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 172.6 | -74.5 | 175.1 | 147.4 | 0 | 0 | 110.6 | K825 I832 C833 | K825-E829 WeakPolarHBondContact CE-OE1 3.35Å; K825-E829 VanDerWaalsContact CE-OE2 3.24Å; K825-E829 WeakPolarHBondContact CE-OE2 3.43Å; K825-E829 HydrophobicContact CG-CG 4.37Å; K825-E829 IonicContact NZ-OE1 2.68Å; K825-E829 PolarHBondContact NZ-OE1 3.38Å; K825-E829 VanDerWaalsContact NZ-OE1 3.16Å; K825-E829 IonicContact NZ-OE2 2.83Å; K825-E829 WeakPolarHBondContact O-CB 3.25Å; K825-E829 WeakPolarHBondContact O-CG 3.19Å; K825-E829 PolarHBondContact O-N 2.87Å; E829-I832 PolarHBondContact O-N 2.9Å; E829-C833 WeakPolarHBondContact O-CB 3.22Å; E829-C833 PolarHBondContact O-N 3.35Å; E829-C833 PolarHBondContact O-SG 3.49Å |
| 830 | Q | 91.1 | Very high | 86.4 | Confident | 106 Ų | 106 | 105.2 Ų | 105.2 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 170.3 | -78.6 | 173.7 | -19.2 | 0 | 0 | 112.1 | L826 Y828 I832 C833 E834 | L826-Q830 HydrophobicContact CD2-CG 4.12Å; L826-Q830 VanDerWaalsContact O-CB 3.28Å; L826-Q830 WeakPolarHBondContact O-CB 3.48Å; L826-Q830 VanDerWaalsContact O-CG 3.25Å; L826-Q830 WeakPolarHBondContact O-CG 3.32Å; L826-Q830 PolarHBondContact O-N 3.36Å; Y828-Q830 VanDerWaalsContact C-N 3.35Å; Q830-I832 VanDerWaalsContact C-N 3.31Å; Q830-I832 PolarHBondContact O-N 2.87Å; Q830-C833 PolarHBondContact O-N 3.3Å; Q830-E834 WeakPolarHBondContact O-CB 3.32Å; Q830-E834 WeakPolarHBondContact O-CG 3.21Å; Q830-E834 PolarHBondContact O-N 3.28Å |
| 831 | Q | 88.2 | Confident | 85 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 176.7 | -170.7 | 179.1 | 13.5 | 0 | 0 | 112.1 | C827 Y828 E834 L835 | C827-Q831 WeakPolarHBondContact O-CB 3.41Å; C827-Q831 PolarHBondContact O-N 2.84Å; Y828-Q831 PolarHBondContact O-N 3.35Å; Q831-E834 PolarHBondContact O-N 2.92Å; Q831-L835 HydrophobicContact CG-CD1 4.18Å; Q831-L835 WeakPolarHBondContact O-CB 3.32Å; Q831-L835 WeakPolarHBondContact O-CG 2.84Å; Q831-L835 PolarHBondContact O-N 3.46Å |
| 832 | I | 88.3 | Confident | 83.1 | Confident | 86 Ų | 86 | 110.9 Ų | 110.9 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -51.4 | 172.7 | -72.3 | 163 | 0 | 0 | 0 | 109.5 | Y828 E829 Q830 E834 L835 E836 | Y828-I832 WeakPolarHBondContact O-CB 3.45Å; Y828-I832 WeakPolarHBondContact O-CD1 3.34Å; Y828-I832 WeakPolarHBondContact O-CG1 3.09Å; Y828-I832 PolarHBondContact O-N 3.44Å; E829-I832 PolarHBondContact O-N 2.9Å; Q830-I832 VanDerWaalsContact C-N 3.31Å; Q830-I832 PolarHBondContact O-N 2.87Å; I832-E834 VanDerWaalsContact C-N 3.27Å; I832-E834 PolarHBondContact O-N 3.29Å; I832-L835 CarbonylContact O-C 3.53Å; I832-L835 PolarHBondContact O-N 3.28Å; I832-L835 VanDerWaalsContact O-N 3.08Å; I832-E836 HydrophobicContact CG2-CG 4.18Å; I832-E836 WeakPolarHBondContact CG2-OE1 3.47Å; I832-E836 WeakPolarHBondContact O-CB 3.33Å; I832-E836 VanDerWaalsContact O-CG 3.31Å; I832-E836 WeakPolarHBondContact O-CG 3.4Å; I832-E836 PolarHBondContact O-N 2.96Å |
| 833 | C | 88.5 | Confident | 81 | Confident | 74 Ų | 74 | 112.3 Ų | 112.3 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 175.1 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | E829 Q830 Q837 | E829-C833 WeakPolarHBondContact O-CB 3.22Å; E829-C833 PolarHBondContact O-N 3.35Å; E829-C833 PolarHBondContact O-SG 3.49Å; Q830-C833 PolarHBondContact O-N 3.3Å; C833-Q837 WeakPolarHBondContact O-CB 3.45Å; C833-Q837 PolarHBondContact O-N 2.81Å |
| 834 | E | 89.9 | Confident | 78.4 | Confident | 115 Ų | 115 | 110.9 Ų | 110.9 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.4 | -37.8 | 174.9 | -79 | -179.3 | -171.8 | 0 | 0 | 112.2 | Q830 Q831 I832 Q838 | Q830-E834 WeakPolarHBondContact O-CB 3.32Å; Q830-E834 WeakPolarHBondContact O-CG 3.21Å; Q830-E834 PolarHBondContact O-N 3.28Å; Q831-E834 PolarHBondContact O-N 2.92Å; I832-E834 VanDerWaalsContact C-N 3.27Å; I832-E834 PolarHBondContact O-N 3.29Å; E834-Q838 VanDerWaalsContact O-CB 3.27Å; E834-Q838 WeakPolarHBondContact O-CB 3.47Å; E834-Q838 WeakPolarHBondContact O-CG 3.16Å; E834-Q838 PolarHBondContact O-N 2.83Å; E834-Q838 PolarHBondContact O-NE2 2.86Å |
| 835 | L | 81.9 | Confident | 76.3 | Confident | 88 Ų | 88 | 112 Ų | 112 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.4 | -41.1 | 175.8 | -74.2 | 168.7 | 0 | 0 | 0 | 111.7 | Q831 I832 Q838 L839 | Q831-L835 HydrophobicContact CG-CD1 4.18Å; Q831-L835 WeakPolarHBondContact O-CB 3.32Å; Q831-L835 WeakPolarHBondContact O-CG 2.84Å; Q831-L835 PolarHBondContact O-N 3.46Å; I832-L835 CarbonylContact O-C 3.53Å; I832-L835 PolarHBondContact O-N 3.28Å; I832-L835 VanDerWaalsContact O-N 3.08Å; L835-Q838 PolarHBondContact O-N 3.39Å; L835-L839 WeakPolarHBondContact O-CB 3.47Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.27Å; L835-L839 PolarHBondContact O-N 3.05Å |
| 836 | E | 81.3 | Confident | 73.9 | Confident | 113 Ų | 113 | 112.7 Ų | 112.7 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -46.8 | 171.7 | -72.5 | 174.5 | 164 | 0 | 0 | 110.2 | I832 Q838 L839 E840 | I832-E836 HydrophobicContact CG2-CG 4.18Å; I832-E836 WeakPolarHBondContact CG2-OE1 3.47Å; I832-E836 WeakPolarHBondContact O-CB 3.33Å; I832-E836 VanDerWaalsContact O-CG 3.31Å; I832-E836 WeakPolarHBondContact O-CG 3.4Å; I832-E836 PolarHBondContact O-N 2.96Å; E836-Q838 VanDerWaalsContact C-N 3.33Å; E836-Q838 PolarHBondContact O-N 3.08Å; E836-L839 CarbonylContact O-C 3.6Å; E836-L839 WeakPolarHBondContact O-CB 3.48Å; E836-L839 PolarHBondContact O-N 3.25Å; E836-L839 VanDerWaalsContact O-N 3.16Å; E836-E840 WeakPolarHBondContact O-CB 3.38Å; E836-E840 PolarHBondContact O-N 3.14Å |
| 837 | Q | 81.6 | Confident | 71.4 | Confident | 111 Ų | 111 | 112.9 Ų | 112.9 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.5 | -28.9 | 175.1 | -173.5 | 171.4 | 102 | 0 | 0 | 112.8 | C833 Q841 | C833-Q837 WeakPolarHBondContact O-CB 3.45Å; C833-Q837 PolarHBondContact O-N 2.81Å; Q837-Q841 HydrophobicContact CG-CG 4.35Å; Q837-Q841 VanDerWaalsContact O-CB 3.22Å; Q837-Q841 WeakPolarHBondContact O-CB 3.49Å; Q837-Q841 WeakPolarHBondContact O-CG 3.39Å; Q837-Q841 PolarHBondContact O-N 2.93Å |
| 838 | Q | 75.5 | Confident | 69 | Low | 105 Ų | 105 | 111.6 Ų | 111.6 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.9 | -31.2 | 171 | -78.9 | 168.1 | 57.2 | 0 | 0 | 112.7 | E834 L835 E836 R842 | E834-Q838 VanDerWaalsContact O-CB 3.27Å; E834-Q838 WeakPolarHBondContact O-CB 3.47Å; E834-Q838 WeakPolarHBondContact O-CG 3.16Å; E834-Q838 PolarHBondContact O-N 2.83Å; E834-Q838 PolarHBondContact O-NE2 2.86Å; L835-Q838 PolarHBondContact O-N 3.39Å; E836-Q838 VanDerWaalsContact C-N 3.33Å; E836-Q838 PolarHBondContact O-N 3.08Å; Q838-R842 WeakPolarHBondContact O-CB 3.32Å; Q838-R842 WeakPolarHBondContact O-CG 3.34Å; Q838-R842 PolarHBondContact O-N 3.38Å; Q838-R842 VanDerWaalsContact O-N 3.11Å |
| 839 | L | 66 | Low | 66.6 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 59% | 0.586 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.7 | -38.3 | 170.5 | -72.2 | 166.8 | 0 | 0 | 0 | 111.2 | L835 E836 R842 Q843 | L835-L839 WeakPolarHBondContact O-CB 3.47Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.27Å; L835-L839 PolarHBondContact O-N 3.05Å; E836-L839 CarbonylContact O-C 3.6Å; E836-L839 WeakPolarHBondContact O-CB 3.48Å; E836-L839 PolarHBondContact O-N 3.25Å; E836-L839 VanDerWaalsContact O-N 3.16Å; L839-R842 WeakPolarHBondContact O-CB 3.29Å; L839-R842 PolarHBondContact O-N 3.36Å; L839-Q843 PolarHBondContact O-N 2.83Å |
| 840 | E | 69.3 | Low | 64.3 | Low | 138 Ų | 138 | 109.5 Ų | 109.5 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.8 | -38.6 | 178.4 | -164.7 | 166.4 | -133.8 | 0 | 0 | 111.7 | E836 R842 Q843 | E836-E840 WeakPolarHBondContact O-CB 3.38Å; E836-E840 PolarHBondContact O-N 3.14Å; E840-R842 PolarHBondContact O-N 3.33Å; E840-Q843 CarbonylContact O-C 3.57Å; E840-Q843 WeakPolarHBondContact O-CA 3.34Å; E840-Q843 WeakPolarHBondContact O-CB 3.42Å; E840-Q843 PolarHBondContact O-N 2.95Å |
| 841 | Q | 61.3 | Low | 62.1 | Low | 146 Ų | 146 | 108.5 Ų | 108.5 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.1 | -20.7 | 167.9 | -73.9 | 178.9 | 25.5 | 0 | 0 | 113.1 | Q837 | Q837-Q841 HydrophobicContact CG-CG 4.35Å; Q837-Q841 VanDerWaalsContact O-CB 3.22Å; Q837-Q841 WeakPolarHBondContact O-CB 3.49Å; Q837-Q841 WeakPolarHBondContact O-CG 3.39Å; Q837-Q841 PolarHBondContact O-N 2.93Å |
| 842 | R | 52.2 | Low | 59.8 | Low | 216 Ų | 216 | 107.4 Ų | 107.4 | 82% | 0.815 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -8.2 | 167.1 | -87.9 | -177.9 | 166.8 | -176.2 | -2 | 113.3 | Q838 L839 E840 | Q838-R842 WeakPolarHBondContact O-CB 3.32Å; Q838-R842 WeakPolarHBondContact O-CG 3.34Å; Q838-R842 PolarHBondContact O-N 3.38Å; Q838-R842 VanDerWaalsContact O-N 3.11Å; L839-R842 WeakPolarHBondContact O-CB 3.29Å; L839-R842 PolarHBondContact O-N 3.36Å; E840-R842 PolarHBondContact O-N 3.33Å |
| 843 | Q | 46.6 | Very low | 57.6 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 67% | 0.673 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -99.7 | 122.3 | 166.1 | -62.9 | -167.4 | 52.9 | 0 | 0 | 110 | L839 E840 | L839-Q843 PolarHBondContact O-N 2.83Å; E840-Q843 CarbonylContact O-C 3.57Å; E840-Q843 WeakPolarHBondContact O-CA 3.34Å; E840-Q843 WeakPolarHBondContact O-CB 3.42Å; E840-Q843 PolarHBondContact O-N 2.95Å |
| 844 | P | 39.6 | Very low | 55.5 | Low | 102 Ų | 102 | 110.4 Ų | 110.4 | 66% | 0.662 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 135.6 | 174.6 | -21.5 | 33.5 | 0 | 0 | 0 | 111.2 | A846 | P844-A846 PolarHBondContact O-N 2.88Š|
| 845 | P | 45.2 | Very low | 53.4 | Low | 117 Ų | 117 | 107 Ų | 107 | 76% | 0.76 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127.6 | -172 | 27.7 | -35.1 | 0 | 0 | 0 | 112.9 | A847 | P845-A847 PolarHBondContact O-N 3.1Š|
| 846 | A | 42.5 | Very low | 51.8 | Low | 103 Ų | 103 | 106.2 Ų | 106.2 | 85% | 0.851 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 54.7 | -15.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | P844 | P844-A846 PolarHBondContact O-N 2.88Š|
| 847 | A | 38.8 | Very low | 50.3 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 79% | 0.793 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -88.8 | -7.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P845 | P845-A847 PolarHBondContact O-N 3.1Š|
| 848 | A | 38.5 | Very low | 49.1 | Very low | 42 Ų | 42 | 102.7 Ų | 102.7 | 35% | 0.347 | 61% | 0.611 | S | S | . | * | trans | -103.7 | 19.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T850 V851 A852 | A848-T850 PolarHBondContact O-N 2.76Å; A848-T850 VanDerWaalsContact O-N 3.13Å; A848-V851 HydrophobicContact CB-CB 4.45Å; A848-V851 PolarHBondContact O-N 3.11Å; A848-A852 PolarHBondContact O-N 2.67Å | ||
| 849 | A | 40.8 | Very low | 48.5 | Very low | 81 Ų | 81 | 105.9 Ų | 105.9 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.9 | -26.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V851 | A849-V851 VanDerWaalsContact C-N 3.34Å |
| 850 | T | 42.6 | Very low | 48.2 | Very low | 106 Ų | 106 | 104.7 Ų | 104.7 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -83.8 | -0.1 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | A848 V854 | A848-T850 PolarHBondContact O-N 2.76Å; A848-T850 VanDerWaalsContact O-N 3.13Å; T850-V854 WeakPolarHBondContact O-CG2 3.49Å |
| 851 | V | 44.7 | Very low | 48.3 | Very low | 86 Ų | 86 | 101.5 Ų | 101.5 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -116.5 | -18.9 | -178.6 | -172.7 | 0 | 0 | 0 | 0 | 112 | A848 A849 E853 V854 G855 | A848-V851 HydrophobicContact CB-CB 4.45Å; A848-V851 PolarHBondContact O-N 3.11Å; A849-V851 VanDerWaalsContact C-N 3.34Å; V851-E853 VanDerWaalsContact C-N 3.29Å; V851-V854 CarbonylContact O-C 3.56Å; V851-V854 PolarHBondContact O-N 3.45Å; V851-G855 PolarHBondContact O-N 2.77Å |
| 852 | A | 40.1 | Very low | 49.1 | Very low | 74 Ų | 74 | 101 Ų | 101 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.1 | -39.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A848 G855 S856 | A848-A852 PolarHBondContact O-N 2.67Å; A852-G855 PolarHBondContact O-N 2.9Å; A852-S856 PolarHBondContact O-N 3.03Å |
| 853 | E | 41.9 | Very low | 49.8 | Very low | 139 Ų | 139 | 92.4 Ų | 92.4 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.6 | -50.9 | 171.8 | -161.1 | 165.3 | -128.9 | 0 | 0 | 110.4 | V851 G855 S856 D857 | V851-E853 VanDerWaalsContact C-N 3.29Å; E853-G855 VanDerWaalsContact C-N 3.26Å; E853-G855 PolarHBondContact O-N 3.32Å; E853-S856 PolarHBondContact O-N 3.4Å; E853-S856 VanDerWaalsContact O-N 3.14Å; E853-D857 WeakPolarHBondContact O-CB 3.41Å; E853-D857 PolarHBondContact O-N 3.29Å |
| 854 | V | 45.2 | Very low | 51.3 | Low | 84 Ų | 84 | 90.3 Ų | 90.3 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -29 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 113.2 | T850 V851 A858 | T850-V854 WeakPolarHBondContact O-CG2 3.49Å; V851-V854 CarbonylContact O-C 3.56Å; V851-V854 PolarHBondContact O-N 3.45Å; V854-A858 WeakPolarHBondContact O-CB 3.48Å; V854-A858 PolarHBondContact O-N 2.82Å |
| 855 | G | 44.7 | Very low | 53.4 | Low | 43 Ų | 43 | 91 Ų | 91 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V851 A852 E853 A858 W859 | V851-G855 PolarHBondContact O-N 2.77Å; A852-G855 PolarHBondContact O-N 2.9Å; E853-G855 VanDerWaalsContact C-N 3.26Å; E853-G855 PolarHBondContact O-N 3.32Å; G855-A858 PolarHBondContact O-N 3.48Å; G855-W859 PolarHBondContact O-N 2.96Å; G855-W859 VanDerWaalsContact O-N 3.12Å |
| 856 | S | 49.6 | Very low | 55.2 | Low | 73 Ų | 73 | 90.4 Ų | 90.4 | 51% | 0.51 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 172.5 | -155.5 | 0 | 0 | 0 | 0 | 110.7 | A852 E853 A858 W859 M860 | A852-S856 PolarHBondContact O-N 3.03Å; E853-S856 PolarHBondContact O-N 3.4Å; E853-S856 VanDerWaalsContact O-N 3.14Å; S856-A858 VanDerWaalsContact C-N 3.32Å; S856-A858 PolarHBondContact O-N 3.18Å; S856-W859 PolarHBondContact O-N 2.9Å; S856-W859 VanDerWaalsContact O-N 3.16Å; S856-M860 VanDerWaalsContact O-CB 3.32Å; S856-M860 WeakPolarHBondContact O-CB 3.25Å; S856-M860 VanDerWaalsContact O-CG 3.25Å; S856-M860 WeakPolarHBondContact O-CG 3.38Å; S856-M860 PolarHBondContact O-N 3.35Å |
| 857 | D | 49.8 | Very low | 57.1 | Low | 90 Ų | 90 | 91.6 Ų | 91.6 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 174.3 | -79.6 | -16.7 | 0 | 0 | 0 | 112.5 | E853 C861 | E853-D857 WeakPolarHBondContact O-CB 3.41Å; E853-D857 PolarHBondContact O-N 3.29Å; D857-C861 WeakPolarHBondContact O-CA 3.47Å; D857-C861 WeakPolarHBondContact O-CB 3.31Å; D857-C861 PolarHBondContact O-N 2.93Å; D857-C861 PolarHBondContact O-SG 3.24Å |
| 858 | A | 56.7 | Low | 59.5 | Low | 59 Ų | 59 | 90.1 Ų | 90.1 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V854 G855 S856 K862 | V854-A858 WeakPolarHBondContact O-CB 3.48Å; V854-A858 PolarHBondContact O-N 2.82Å; G855-A858 PolarHBondContact O-N 3.48Å; S856-A858 VanDerWaalsContact C-N 3.32Å; S856-A858 PolarHBondContact O-N 3.18Å; A858-K862 WeakPolarHBondContact O-CB 3.29Å; A858-K862 PolarHBondContact O-N 2.78Å |
| 859 | W | 63 | Low | 61.9 | Low | 173 Ų | 173 | 91.1 Ų | 91.1 | 66% | 0.655 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.8 | -44.5 | 173 | -169.1 | 87.3 | 0 | 0 | 0 | 111.4 | G855 S856 K862 C863 | G855-W859 PolarHBondContact O-N 2.96Å; G855-W859 VanDerWaalsContact O-N 3.12Å; S856-W859 PolarHBondContact O-N 2.9Å; S856-W859 VanDerWaalsContact O-N 3.16Å; W859-K862 CarbonylContact O-C 3.34Å; W859-K862 WeakPolarHBondContact O-CA 3.09Å; W859-K862 WeakPolarHBondContact O-CB 3.18Å; W859-K862 PolarHBondContact O-N 3.24Å; W859-K862 VanDerWaalsContact O-N 3.1Å; W859-C863 PolarHBondContact O-N 3.47Å; W859-C863 PolarHBondContact O-SG 3.13Å |
| 860 | M | 59.1 | Low | 64.2 | Low | 87 Ų | 87 | 93.3 Ų | 93.3 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.2 | -72.3 | -75 | -80.6 | 0 | 0 | 111.8 | S856 K862 C863 Q864 | S856-M860 VanDerWaalsContact O-CB 3.32Å; S856-M860 WeakPolarHBondContact O-CB 3.25Å; S856-M860 VanDerWaalsContact O-CG 3.25Å; S856-M860 WeakPolarHBondContact O-CG 3.38Å; S856-M860 PolarHBondContact O-N 3.35Å; M860-K862 VanDerWaalsContact C-N 3.27Å; M860-K862 PolarHBondContact O-N 3.11Å; M860-C863 PolarHBondContact O-N 3.15Å; M860-Q864 VanDerWaalsContact O-CB 3.31Å; M860-Q864 WeakPolarHBondContact O-CB 3.48Å; M860-Q864 VanDerWaalsContact O-CG 3.22Å; M860-Q864 WeakPolarHBondContact O-CG 3.39Å; M860-Q864 PolarHBondContact O-N 2.8Å |
| 861 | C | 71.9 | Confident | 66.5 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -31.8 | 172.3 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | D857 F865 | D857-C861 WeakPolarHBondContact O-CA 3.47Å; D857-C861 WeakPolarHBondContact O-CB 3.31Å; D857-C861 PolarHBondContact O-N 2.93Å; D857-C861 PolarHBondContact O-SG 3.24Å; C861-F865 WeakPolarHBondContact O-CA 3.34Å; C861-F865 WeakPolarHBondContact O-CB 3.38Å; C861-F865 PolarHBondContact O-N 2.71Å |
| 862 | K | 76.9 | Confident | 68.8 | Low | 137 Ų | 137 | 94.8 Ų | 94.8 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.9 | -39.3 | 174.5 | -171.5 | 174.6 | -177.7 | 179.9 | 0 | 111.7 | A858 W859 M860 F865 L866 | A858-K862 WeakPolarHBondContact O-CB 3.29Å; A858-K862 PolarHBondContact O-N 2.78Å; W859-K862 CarbonylContact O-C 3.34Å; W859-K862 WeakPolarHBondContact O-CA 3.09Å; W859-K862 WeakPolarHBondContact O-CB 3.18Å; W859-K862 PolarHBondContact O-N 3.24Å; W859-K862 VanDerWaalsContact O-N 3.1Å; M860-K862 VanDerWaalsContact C-N 3.27Å; M860-K862 PolarHBondContact O-N 3.11Å; K862-F865 PolarHBondContact O-N 3.24Å; K862-L866 HydrophobicContact CG-CD1 4.29Å; K862-L866 WeakPolarHBondContact O-CB 3.47Å; K862-L866 WeakPolarHBondContact O-CG 3.37Å; K862-L866 PolarHBondContact O-N 3.06Å |
| 863 | C | 66.9 | Low | 71.3 | Confident | 34 Ų | 34 | 94.2 Ų | 94.2 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64 | -51.2 | 171.4 | -73.9 | 0 | 0 | 0 | 0 | 111 | W859 M860 F865 L866 E867 | W859-C863 PolarHBondContact O-N 3.47Å; W859-C863 PolarHBondContact O-SG 3.13Å; M860-C863 PolarHBondContact O-N 3.15Å; C863-F865 VanDerWaalsContact C-N 3.32Å; C863-F865 PolarHBondContact O-N 3.37Å; C863-L866 CarbonylContact O-C 3.54Å; C863-L866 PolarHBondContact O-N 3.49Å; C863-L866 VanDerWaalsContact O-N 3.08Å; C863-E867 WeakPolarHBondContact O-CB 3.36Å; C863-E867 WeakPolarHBondContact O-CG 3.4Å; C863-E867 PolarHBondContact O-N 3.37Å |
| 864 | Q | 78.6 | Confident | 73.7 | Confident | 100 Ų | 100 | 93.2 Ų | 93.2 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 174.3 | -70.4 | 169.7 | 13.1 | 0 | 0 | 111.9 | M860 E867 E868 | M860-Q864 VanDerWaalsContact O-CB 3.31Å; M860-Q864 WeakPolarHBondContact O-CB 3.48Å; M860-Q864 VanDerWaalsContact O-CG 3.22Å; M860-Q864 WeakPolarHBondContact O-CG 3.39Å; M860-Q864 PolarHBondContact O-N 2.8Å; Q864-E867 PolarHBondContact O-N 2.74Å; Q864-E868 WeakPolarHBondContact O-CB 3.44Å; Q864-E868 WeakPolarHBondContact O-CG 3.48Å; Q864-E868 PolarHBondContact O-N 3.4Å |
| 865 | F | 84.1 | Confident | 76 | Confident | 116 Ų | 116 | 92.8 Ų | 92.8 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 174.7 | 178.9 | -89.9 | 0 | 0 | 0 | 112.3 | C861 K862 C863 E869 | C861-F865 WeakPolarHBondContact O-CA 3.34Å; C861-F865 WeakPolarHBondContact O-CB 3.38Å; C861-F865 PolarHBondContact O-N 2.71Å; K862-F865 PolarHBondContact O-N 3.24Å; C863-F865 VanDerWaalsContact C-N 3.32Å; C863-F865 PolarHBondContact O-N 3.37Å; F865-E869 HydrophobicContact CE1-CG 3.95Å; F865-E869 HydrophobicContact CZ-CG 4Å; F865-E869 WeakPolarHBondContact O-CB 3.31Å; F865-E869 PolarHBondContact O-N 3.25Å |
| 866 | L | 82.3 | Confident | 78.3 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 174.9 | -74.1 | 168.5 | 0 | 0 | 0 | 111.9 | K862 C863 E869 L870 | K862-L866 HydrophobicContact CG-CD1 4.29Å; K862-L866 WeakPolarHBondContact O-CB 3.47Å; K862-L866 WeakPolarHBondContact O-CG 3.37Å; K862-L866 PolarHBondContact O-N 3.06Å; C863-L866 CarbonylContact O-C 3.54Å; C863-L866 PolarHBondContact O-N 3.49Å; C863-L866 VanDerWaalsContact O-N 3.08Å; L866-E869 PolarHBondContact O-N 2.81Å; L866-L870 VanDerWaalsContact O-CB 3.26Å; L866-L870 WeakPolarHBondContact O-CB 3.19Å; L866-L870 PolarHBondContact O-N 3.09Å |
| 867 | E | 82.3 | Confident | 80.3 | Confident | 129 Ų | 129 | 97.5 Ų | 97.5 | 60% | 0.603 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 171.9 | -72.8 | 170.8 | -175 | 0 | 0 | 111.5 | C863 Q864 L870 R871 | C863-E867 WeakPolarHBondContact O-CB 3.36Å; C863-E867 WeakPolarHBondContact O-CG 3.4Å; C863-E867 PolarHBondContact O-N 3.37Å; Q864-E867 PolarHBondContact O-N 2.74Å; E867-L870 PolarHBondContact O-N 3.06Å; E867-R871 VanDerWaalsContact O-CB 3.29Å; E867-R871 WeakPolarHBondContact O-CB 3.33Å; E867-R871 PolarHBondContact O-N 3.43Å |
| 868 | E | 90.4 | Very high | 82.4 | Confident | 65 Ų | 65 | 97 Ų | 97 | 30% | 0.304 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 172.6 | -76 | -120.8 | 133.5 | 0 | 0 | 111.4 | Q864 R871 R872 | Q864-E868 WeakPolarHBondContact O-CB 3.44Å; Q864-E868 WeakPolarHBondContact O-CG 3.48Å; Q864-E868 PolarHBondContact O-N 3.4Å; E868-R871 PolarHBondContact O-N 2.82Å; E868-R871 IonicContact OE1-CZ 3.39Å; E868-R871 IonicContact OE1-NH1 2.68Å; E868-R871 PolarHBondContact OE1-NH1 2.88Å; E868-R871 IonicContact OE1-NH2 3.12Å; E868-R871 PolarHBondContact OE1-NH2 3.03Å; E868-R872 VanDerWaalsContact O-CB 3.32Å; E868-R872 WeakPolarHBondContact O-CB 3.41Å; E868-R872 VanDerWaalsContact O-CD 3.28Å; E868-R872 WeakPolarHBondContact O-CD 3.44Å; E868-R872 WeakPolarHBondContact O-CG 3.21Å; E868-R872 PolarHBondContact O-N 3.39Å; E868-R872 IonicContact OE2-CZ 3.56Å; E868-R872 IonicContact OE2-NE 3.13Å; E868-R872 IonicContact OE2-NH2 3.27Å; E868-R872 PolarHBondContact OE2-NH2 2.76Å |
| 869 | E | 88.1 | Confident | 84.2 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 29% | 0.29 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.6 | -35.8 | 173.2 | -86 | -58.4 | 131 | 0 | 0 | 111.9 | F865 L866 R871 R872 V873 R876 | F865-E869 HydrophobicContact CE1-CG 3.95Å; F865-E869 HydrophobicContact CZ-CG 4Å; F865-E869 WeakPolarHBondContact O-CB 3.31Å; F865-E869 PolarHBondContact O-N 3.25Å; L866-E869 PolarHBondContact O-N 2.81Å; E869-R871 VanDerWaalsContact C-N 3.33Å; E869-R871 PolarHBondContact O-N 3.44Å; E869-R872 CarbonylContact O-C 3.55Å; E869-R872 PolarHBondContact O-N 3.18Å; E869-R872 WeakPolarHBondContact OE1-CD 3.17Å; E869-R872 IonicContact OE1-CZ 3.2Å; E869-R872 IonicContact OE1-NE 3.8Å; E869-R872 IonicContact OE1-NH1 2.68Å; E869-R872 PolarHBondContact OE1-NH1 3.46Å; E869-V873 WeakPolarHBondContact O-CB 3.45Å; E869-V873 VanDerWaalsContact O-CG2 3.25Å; E869-V873 WeakPolarHBondContact O-CG2 3.42Å; E869-V873 PolarHBondContact O-N 2.7Å; E869-R876 IonicContact OE2-CZ 3.22Å; E869-R876 IonicContact OE2-NH2 2.7Å; E869-R876 PolarHBondContact OE2-NH2 2.98Å |
| 870 | L | 89.1 | Confident | 85.5 | Confident | 128 Ų | 128 | 95.1 Ų | 95.1 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 172 | -160.6 | 79 | 0 | 0 | 0 | 110.8 | L866 E867 V873 H874 | L866-L870 VanDerWaalsContact O-CB 3.26Å; L866-L870 WeakPolarHBondContact O-CB 3.19Å; L866-L870 PolarHBondContact O-N 3.09Å; E867-L870 PolarHBondContact O-N 3.06Å; L870-V873 PolarHBondContact O-N 3.16Å; L870-H874 WeakPolarHBondContact O-CB 3.39Å; L870-H874 PolarHBondContact O-N 3.49Å |
| 871 | R | 91.8 | Very high | 87.1 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 50% | 0.498 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.4 | -164.6 | 177 | 76.9 | -134.7 | -2.4 | 111 | E867 E868 E869 V873 H874 D875 | E867-R871 VanDerWaalsContact O-CB 3.29Å; E867-R871 WeakPolarHBondContact O-CB 3.33Å; E867-R871 PolarHBondContact O-N 3.43Å; E868-R871 PolarHBondContact O-N 2.82Å; E868-R871 IonicContact OE1-CZ 3.39Å; E868-R871 IonicContact OE1-NH1 2.68Å; E868-R871 PolarHBondContact OE1-NH1 2.88Å; E868-R871 IonicContact OE1-NH2 3.12Å; E868-R871 PolarHBondContact OE1-NH2 3.03Å; E869-R871 VanDerWaalsContact C-N 3.33Å; E869-R871 PolarHBondContact O-N 3.44Å; R871-V873 VanDerWaalsContact C-N 3.31Å; R871-V873 PolarHBondContact O-N 2.97Å; R871-H874 CarbonylContact O-C 3.58Å; R871-H874 WeakPolarHBondContact O-CB 3.49Å; R871-H874 PolarHBondContact O-N 3.18Å; R871-H874 VanDerWaalsContact O-N 3.14Å; R871-D875 WeakPolarHBondContact O-CB 3.27Å; R871-D875 PolarHBondContact O-N 3.45Å |
| 872 | R | 92.6 | Very high | 88.1 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -29.6 | 175.6 | -66.2 | 158.3 | -168.2 | -176.9 | 6.6 | 112.4 | E868 E869 R876 | E868-R872 VanDerWaalsContact O-CB 3.32Å; E868-R872 WeakPolarHBondContact O-CB 3.41Å; E868-R872 VanDerWaalsContact O-CD 3.28Å; E868-R872 WeakPolarHBondContact O-CD 3.44Å; E868-R872 WeakPolarHBondContact O-CG 3.21Å; E868-R872 PolarHBondContact O-N 3.39Å; E868-R872 IonicContact OE2-CZ 3.56Å; E868-R872 IonicContact OE2-NE 3.13Å; E868-R872 IonicContact OE2-NH2 3.27Å; E868-R872 PolarHBondContact OE2-NH2 2.76Å; E869-R872 CarbonylContact O-C 3.55Å; E869-R872 PolarHBondContact O-N 3.18Å; E869-R872 WeakPolarHBondContact OE1-CD 3.17Å; E869-R872 IonicContact OE1-CZ 3.2Å; E869-R872 IonicContact OE1-NE 3.8Å; E869-R872 IonicContact OE1-NH1 2.68Å; E869-R872 PolarHBondContact OE1-NH1 3.46Å; R872-R876 WeakPolarHBondContact O-CB 3.47Å; R872-R876 WeakPolarHBondContact O-CG 3.49Å; R872-R876 PolarHBondContact O-N 3.44Å; R872-R876 PolarHBondContact O-NE 3.06Å |
| 873 | V | 91.6 | Very high | 89 | Confident | 62 Ų | 62 | 97 Ų | 97 | 38% | 0.376 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.3 | -49.6 | 169.8 | 165.5 | 0 | 0 | 0 | 0 | 109 | E869 L870 R871 D875 R876 H877 | E869-V873 WeakPolarHBondContact O-CB 3.45Å; E869-V873 VanDerWaalsContact O-CG2 3.25Å; E869-V873 WeakPolarHBondContact O-CG2 3.42Å; E869-V873 PolarHBondContact O-N 2.7Å; L870-V873 PolarHBondContact O-N 3.16Å; R871-V873 VanDerWaalsContact C-N 3.31Å; R871-V873 PolarHBondContact O-N 2.97Å; V873-D875 PolarHBondContact O-N 2.78Å; V873-R876 VanDerWaalsContact CG2-NH2 3.26Å; V873-R876 WeakPolarHBondContact O-CB 3.22Å; V873-R876 PolarHBondContact O-N 2.82Å; V873-H877 PolarHBondContact O-CD2 3.3Å; V873-H877 VanDerWaalsContact O-CD2 3.3Å; V873-H877 PolarHBondContact O-N 3.46Å |
| 874 | H | 92.8 | Very high | 90.2 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.546 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.9 | -171.6 | 86.7 | 0 | 0 | 0 | 111.6 | L870 R871 R876 H877 Q878 | L870-H874 WeakPolarHBondContact O-CB 3.39Å; L870-H874 PolarHBondContact O-N 3.49Å; R871-H874 CarbonylContact O-C 3.58Å; R871-H874 WeakPolarHBondContact O-CB 3.49Å; R871-H874 PolarHBondContact O-N 3.18Å; R871-H874 VanDerWaalsContact O-N 3.14Å; H874-R876 PolarHBondContact O-N 2.99Å; H874-H877 CarbonylContact O-C 3.52Å; H874-H877 PolarHBondContact O-N 2.85Å; H874-H877 VanDerWaalsContact O-N 3.11Å; H874-Q878 WeakPolarHBondContact O-CB 3.32Å; H874-Q878 PolarHBondContact O-N 3.34Å |
| 875 | D | 93.8 | Very high | 90.8 | Very high | 76 Ų | 76 | 100.7 Ų | 100.7 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.2 | -67 | -30.2 | 0 | 0 | 0 | 111.6 | R871 V873 H877 Q879 | R871-D875 WeakPolarHBondContact O-CB 3.27Å; R871-D875 PolarHBondContact O-N 3.45Å; V873-D875 PolarHBondContact O-N 2.78Å; D875-H877 VanDerWaalsContact C-N 3.29Å; D875-H877 PolarHBondContact O-N 3.24Å; D875-Q879 WeakPolarHBondContact O-CB 3.44Å; D875-Q879 PolarHBondContact O-N 3.15Å |
| 876 | R | 94.1 | Very high | 91.2 | Very high | 125 Ų | 125 | 100 Ų | 100 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 173.2 | -83.9 | 176.3 | -71.6 | -178.7 | -12.5 | 112.2 | E869 R872 V873 H874 K880 | E869-R876 IonicContact OE2-CZ 3.22Å; E869-R876 IonicContact OE2-NH2 2.7Å; E869-R876 PolarHBondContact OE2-NH2 2.98Å; R872-R876 WeakPolarHBondContact O-CB 3.47Å; R872-R876 WeakPolarHBondContact O-CG 3.49Å; R872-R876 PolarHBondContact O-N 3.44Å; R872-R876 PolarHBondContact O-NE 3.06Å; V873-R876 VanDerWaalsContact CG2-NH2 3.26Å; V873-R876 WeakPolarHBondContact O-CB 3.22Å; V873-R876 PolarHBondContact O-N 2.82Å; H874-R876 PolarHBondContact O-N 2.99Å; R876-K880 WeakPolarHBondContact O-CD 3.45Å; R876-K880 WeakPolarHBondContact O-CG 3.42Å; R876-K880 PolarHBondContact O-N 3.27Å; R876-K880 VanDerWaalsContact O-N 3.09Å |
| 877 | H | 90.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.6 | -53.7 | 175.3 | -86.2 | -97.8 | 0 | 0 | 0 | 111.1 | V873 H874 D875 Q879 K880 D881 | V873-H877 PolarHBondContact O-CD2 3.3Å; V873-H877 VanDerWaalsContact O-CD2 3.3Å; V873-H877 PolarHBondContact O-N 3.46Å; H874-H877 CarbonylContact O-C 3.52Å; H874-H877 PolarHBondContact O-N 2.85Å; H874-H877 VanDerWaalsContact O-N 3.11Å; D875-H877 VanDerWaalsContact C-N 3.29Å; D875-H877 PolarHBondContact O-N 3.24Å; H877-Q879 PolarHBondContact O-N 2.77Å; H877-Q879 VanDerWaalsContact O-N 3.09Å; H877-K880 PolarHBondContact NE2-NZ 2.98Å; H877-K880 CarbonylContact O-C 3.54Å; H877-K880 WeakPolarHBondContact O-CA 3.47Å; H877-K880 WeakPolarHBondContact O-CB 3.36Å; H877-K880 PolarHBondContact O-N 3.27Å; H877-D881 PolarHBondContact O-N 2.86Å |
| 878 | Q | 93.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 98.6 Ų | 98.6 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.6 | -33.5 | 176.3 | -158.8 | -167.3 | 100.8 | 0 | 0 | 112.5 | H874 K882 | H874-Q878 WeakPolarHBondContact O-CB 3.32Å; H874-Q878 PolarHBondContact O-N 3.34Å; Q878-K882 WeakPolarHBondContact O-CB 3.38Å; Q878-K882 WeakPolarHBondContact O-CD 3.18Å; Q878-K882 VanDerWaalsContact O-CG 3.22Å; Q878-K882 WeakPolarHBondContact O-CG 3.19Å; Q878-K882 PolarHBondContact O-N 3.42Å; Q878-K882 VanDerWaalsContact OE1-CE 3.28Å |
| 879 | Q | 94.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 99.8 Ų | 99.8 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -80.1 | -26.3 | 174.7 | -159.2 | 67.9 | 10.1 | 0 | 0 | 113.5 | D875 H877 R883 | D875-Q879 WeakPolarHBondContact O-CB 3.44Å; D875-Q879 PolarHBondContact O-N 3.15Å; H877-Q879 PolarHBondContact O-N 2.77Å; H877-Q879 VanDerWaalsContact O-N 3.09Å; Q879-R883 WeakPolarHBondContact O-CB 3.38Å; Q879-R883 WeakPolarHBondContact O-CD 3.37Å; Q879-R883 WeakPolarHBondContact O-CG 3.46Å; Q879-R883 PolarHBondContact O-N 3.46Å; Q879-R883 VanDerWaalsContact O-N 3.13Å |
| 880 | K | 92.1 | Very high | 92.5 | Very high | 103 Ų | 103 | 99.4 Ų | 99.4 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 164.5 | -74.1 | 163.6 | -171.5 | 173.5 | 0 | 110 | R876 H877 R883 L884 | R876-K880 WeakPolarHBondContact O-CD 3.45Å; R876-K880 WeakPolarHBondContact O-CG 3.42Å; R876-K880 PolarHBondContact O-N 3.27Å; R876-K880 VanDerWaalsContact O-N 3.09Å; H877-K880 PolarHBondContact NE2-NZ 2.98Å; H877-K880 CarbonylContact O-C 3.54Å; H877-K880 WeakPolarHBondContact O-CA 3.47Å; H877-K880 WeakPolarHBondContact O-CB 3.36Å; H877-K880 PolarHBondContact O-N 3.27Å; K880-R883 CarbonylContact O-C 3.58Å; K880-R883 WeakPolarHBondContact O-CB 3.5Å; K880-R883 PolarHBondContact O-N 3.35Å; K880-R883 VanDerWaalsContact O-N 3.15Å; K880-L884 WeakPolarHBondContact O-CB 3.44Å; K880-L884 VanDerWaalsContact O-CG 3.32Å; K880-L884 WeakPolarHBondContact O-CG 3.39Å; K880-L884 PolarHBondContact O-N 2.88Å |
| 881 | D | 91.1 | Very high | 92.3 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 47% | 0.465 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | -177.2 | -57.6 | -28.9 | 0 | 0 | 0 | 110.5 | H877 R883 L884 Q885 | H877-D881 PolarHBondContact O-N 2.86Å; D881-R883 PolarHBondContact O-N 2.95Å; D881-L884 PolarHBondContact O-N 3.3Å; D881-Q885 WeakPolarHBondContact O-CB 3.48Å; D881-Q885 PolarHBondContact O-N 2.64Å |
| 882 | K | 94.2 | Very high | 91.7 | Very high | 93 Ų | 93 | 97 Ų | 97 | 40% | 0.404 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -54.7 | -50.4 | 168.5 | -73.5 | 165.1 | -170.3 | 165.7 | 0 | 111.9 | Q878 L884 Q885 D886 | Q878-K882 WeakPolarHBondContact O-CB 3.38Å; Q878-K882 WeakPolarHBondContact O-CD 3.18Å; Q878-K882 VanDerWaalsContact O-CG 3.22Å; Q878-K882 WeakPolarHBondContact O-CG 3.19Å; Q878-K882 PolarHBondContact O-N 3.42Å; Q878-K882 VanDerWaalsContact OE1-CE 3.28Å; K882-L884 VanDerWaalsContact C-N 3.32Å; K882-L884 PolarHBondContact O-N 3.01Å; K882-Q885 CarbonylContact O-C 3.56Å; K882-Q885 PolarHBondContact O-N 3.35Å; K882-Q885 VanDerWaalsContact O-N 3.11Å; K882-D886 WeakPolarHBondContact O-CB 3.47Å; K882-D886 PolarHBondContact O-N 3.23Å |
| 883 | R | 95.1 | Very high | 91.1 | Very high | 154 Ų | 154 | 97.7 Ų | 97.7 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.9 | -35.7 | 178.4 | -76.4 | 169.3 | 178.6 | -176.3 | 1.8 | 113.3 | Q879 K880 D881 Q887 | Q879-R883 WeakPolarHBondContact O-CB 3.38Å; Q879-R883 WeakPolarHBondContact O-CD 3.37Å; Q879-R883 WeakPolarHBondContact O-CG 3.46Å; Q879-R883 PolarHBondContact O-N 3.46Å; Q879-R883 VanDerWaalsContact O-N 3.13Å; K880-R883 CarbonylContact O-C 3.58Å; K880-R883 WeakPolarHBondContact O-CB 3.5Å; K880-R883 PolarHBondContact O-N 3.35Å; K880-R883 VanDerWaalsContact O-N 3.15Å; D881-R883 PolarHBondContact O-N 2.95Å; R883-Q887 WeakPolarHBondContact O-CB 3.23Å; R883-Q887 WeakPolarHBondContact O-CG 3.2Å; R883-Q887 PolarHBondContact O-N 3.47Å |
| 884 | L | 91.9 | Very high | 90.6 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.6 | -38 | 175.1 | -73.2 | 169.7 | 0 | 0 | 0 | 110.6 | K880 D881 K882 Q887 I888 | K880-L884 WeakPolarHBondContact O-CB 3.44Å; K880-L884 VanDerWaalsContact O-CG 3.32Å; K880-L884 WeakPolarHBondContact O-CG 3.39Å; K880-L884 PolarHBondContact O-N 2.88Å; D881-L884 PolarHBondContact O-N 3.3Å; K882-L884 VanDerWaalsContact C-N 3.32Å; K882-L884 PolarHBondContact O-N 3.01Å; L884-Q887 PolarHBondContact O-N 3.13Å; L884-I888 WeakPolarHBondContact O-CB 3.2Å; L884-I888 WeakPolarHBondContact O-CD1 3.13Å; L884-I888 WeakPolarHBondContact O-CG1 3.37Å; L884-I888 PolarHBondContact O-N 3.38Å |
| 885 | Q | 91.9 | Very high | 89.6 | Confident | 118 Ų | 118 | 99 Ų | 99 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.3 | -43.7 | 175.3 | -167.6 | 159 | -17.2 | 0 | 0 | 111.7 | D881 K882 Q887 I888 E889 | D881-Q885 WeakPolarHBondContact O-CB 3.48Å; D881-Q885 PolarHBondContact O-N 2.64Å; K882-Q885 CarbonylContact O-C 3.56Å; K882-Q885 PolarHBondContact O-N 3.35Å; K882-Q885 VanDerWaalsContact O-N 3.11Å; Q885-Q887 VanDerWaalsContact C-N 3.27Å; Q885-Q887 PolarHBondContact O-N 2.84Å; Q885-I888 PolarHBondContact O-N 3.38Å; Q885-I888 VanDerWaalsContact O-N 3.14Å; Q885-E889 WeakPolarHBondContact O-CB 3.44Å; Q885-E889 WeakPolarHBondContact O-CG 3.31Å; Q885-E889 PolarHBondContact O-N 2.98Å |
| 886 | D | 92.6 | Very high | 88.4 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.9 | -39.8 | 169.6 | -64.2 | -33 | 0 | 0 | 0 | 111.3 | K882 S890 | K882-D886 WeakPolarHBondContact O-CB 3.47Å; K882-D886 PolarHBondContact O-N 3.23Å; D886-S890 WeakPolarHBondContact O-CB 3.16Å; D886-S890 PolarHBondContact O-N 3.44Å |
| 887 | Q | 94.3 | Very high | 86.9 | Confident | 114 Ų | 114 | 103.8 Ų | 103.8 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 174.8 | -78.6 | 172.5 | 18.2 | 0 | 0 | 112.2 | R883 L884 Q885 S890 L891 | R883-Q887 WeakPolarHBondContact O-CB 3.23Å; R883-Q887 WeakPolarHBondContact O-CG 3.2Å; R883-Q887 PolarHBondContact O-N 3.47Å; L884-Q887 PolarHBondContact O-N 3.13Å; Q885-Q887 VanDerWaalsContact C-N 3.27Å; Q885-Q887 PolarHBondContact O-N 2.84Å; Q887-S890 PolarHBondContact O-N 2.9Å; Q887-L891 VanDerWaalsContact O-CB 3.25Å; Q887-L891 WeakPolarHBondContact O-CB 3.39Å; Q887-L891 WeakPolarHBondContact O-CG 3.48Å; Q887-L891 PolarHBondContact O-N 3.38Å |
| 888 | I | 88.9 | Confident | 85.1 | Confident | 92 Ų | 92 | 106.4 Ų | 106.4 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.2 | -73.1 | 162.1 | 0 | 0 | 0 | 110 | L884 Q885 L891 Q892 | L884-I888 WeakPolarHBondContact O-CB 3.2Å; L884-I888 WeakPolarHBondContact O-CD1 3.13Å; L884-I888 WeakPolarHBondContact O-CG1 3.37Å; L884-I888 PolarHBondContact O-N 3.38Å; Q885-I888 PolarHBondContact O-N 3.38Å; Q885-I888 VanDerWaalsContact O-N 3.14Å; I888-L891 PolarHBondContact O-N 2.84Å; I888-Q892 HydrophobicContact CG2-CG 4.49Å; I888-Q892 WeakPolarHBondContact O-CB 3.33Å; I888-Q892 VanDerWaalsContact O-CG 3.25Å; I888-Q892 WeakPolarHBondContact O-CG 3.34Å; I888-Q892 PolarHBondContact O-N 2.93Å |
| 889 | E | 92.8 | Very high | 82.7 | Confident | 90 Ų | 90 | 105 Ų | 105 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 176.3 | -72.6 | -171.1 | -152.9 | 0 | 0 | 111.8 | Q885 L891 Q892 Q893 | Q885-E889 WeakPolarHBondContact O-CB 3.44Å; Q885-E889 WeakPolarHBondContact O-CG 3.31Å; Q885-E889 PolarHBondContact O-N 2.98Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 3.23Å; E889-Q892 PolarHBondContact O-N 3.35Å; E889-Q893 WeakPolarHBondContact O-CB 3.49Å; E889-Q893 WeakPolarHBondContact O-CG 3.37Å; E889-Q893 PolarHBondContact O-N 2.95Å |
| 890 | S | 92.8 | Very high | 80.5 | Confident | 54 Ų | 54 | 106.2 Ų | 106.2 | 38% | 0.378 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 112 | D886 Q887 Q894 | D886-S890 WeakPolarHBondContact O-CB 3.16Å; D886-S890 PolarHBondContact O-N 3.44Å; Q887-S890 PolarHBondContact O-N 2.9Å; S890-Q894 VanDerWaalsContact O-CB 3.26Å; S890-Q894 WeakPolarHBondContact O-CB 3.47Å; S890-Q894 VanDerWaalsContact O-CG 3.24Å; S890-Q894 WeakPolarHBondContact O-CG 3.39Å; S890-Q894 PolarHBondContact O-N 2.83Å |
| 891 | L | 85.6 | Confident | 78.7 | Confident | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.6 | -41 | 174.4 | -74.8 | 169.7 | 0 | 0 | 0 | 111.7 | Q887 I888 E889 Q894 L895 | Q887-L891 VanDerWaalsContact O-CB 3.25Å; Q887-L891 WeakPolarHBondContact O-CB 3.39Å; Q887-L891 WeakPolarHBondContact O-CG 3.48Å; Q887-L891 PolarHBondContact O-N 3.38Å; I888-L891 PolarHBondContact O-N 2.84Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 3.23Å; L891-Q894 CarbonylContact O-C 3.58Å; L891-Q894 PolarHBondContact O-N 2.83Å; L891-L895 VanDerWaalsContact O-CB 3.31Å; L891-L895 WeakPolarHBondContact O-CB 3.5Å; L891-L895 PolarHBondContact O-N 3.3Å |
| 892 | Q | 79.1 | Confident | 76.9 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 174.3 | -74.7 | 178.7 | 24.7 | 0 | 0 | 112.1 | I888 E889 L895 K896 | I888-Q892 HydrophobicContact CG2-CG 4.49Å; I888-Q892 WeakPolarHBondContact O-CB 3.33Å; I888-Q892 VanDerWaalsContact O-CG 3.25Å; I888-Q892 WeakPolarHBondContact O-CG 3.34Å; I888-Q892 PolarHBondContact O-N 2.93Å; E889-Q892 PolarHBondContact O-N 3.35Å; Q892-L895 PolarHBondContact O-N 3.23Å; Q892-K896 WeakPolarHBondContact O-CB 3.22Å; Q892-K896 WeakPolarHBondContact O-CG 3.32Å; Q892-K896 PolarHBondContact O-N 2.9Å |
| 893 | Q | 81.3 | Confident | 75 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 173.9 | -71.6 | 173.5 | 31.4 | 0 | 0 | 110.4 | E889 L895 K896 H897 | E889-Q893 WeakPolarHBondContact O-CB 3.49Å; E889-Q893 WeakPolarHBondContact O-CG 3.37Å; E889-Q893 PolarHBondContact O-N 2.95Å; Q893-L895 VanDerWaalsContact C-N 3.25Å; Q893-L895 PolarHBondContact O-N 3.39Å; Q893-K896 CarbonylContact O-C 3.56Å; Q893-K896 PolarHBondContact O-N 3.3Å; Q893-H897 WeakPolarHBondContact O-CB 3.39Å; Q893-H897 PolarHBondContact O-CD2 2.83Å; Q893-H897 PolarHBondContact O-N 2.86Å |
| 894 | Q | 79.3 | Confident | 73.3 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -34 | 172.1 | -79.5 | -176.2 | 55.4 | 0 | 0 | 112.5 | S890 L891 H897 K898 | S890-Q894 VanDerWaalsContact O-CB 3.26Å; S890-Q894 WeakPolarHBondContact O-CB 3.47Å; S890-Q894 VanDerWaalsContact O-CG 3.24Å; S890-Q894 WeakPolarHBondContact O-CG 3.39Å; S890-Q894 PolarHBondContact O-N 2.83Å; L891-Q894 CarbonylContact O-C 3.58Å; L891-Q894 PolarHBondContact O-N 2.83Å; Q894-H897 PolarHBondContact O-N 2.85Å; Q894-K898 HydrophobicContact CB-CD 4.48Å; Q894-K898 WeakPolarHBondContact O-CB 3.32Å; Q894-K898 WeakPolarHBondContact O-CD 3.46Å; Q894-K898 WeakPolarHBondContact O-CG 3.39Å; Q894-K898 PolarHBondContact O-N 2.8Å |
| 895 | L | 73.4 | Confident | 71.9 | Confident | 132 Ų | 132 | 108.7 Ų | 108.7 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.4 | -40.1 | 177 | -150.6 | 152.2 | 0 | 0 | 0 | 110.7 | L891 Q892 Q893 H897 K898 A899 | L891-L895 VanDerWaalsContact O-CB 3.31Å; L891-L895 WeakPolarHBondContact O-CB 3.5Å; L891-L895 PolarHBondContact O-N 3.3Å; Q892-L895 PolarHBondContact O-N 3.23Å; Q893-L895 VanDerWaalsContact C-N 3.25Å; Q893-L895 PolarHBondContact O-N 3.39Å; L895-H897 VanDerWaalsContact C-N 3.3Å; L895-H897 PolarHBondContact O-N 3.43Å; L895-K898 PolarHBondContact O-N 3.47Å; L895-A899 PolarHBondContact O-N 2.94Å |
| 896 | K | 68.5 | Low | 70.7 | Confident | 152 Ų | 152 | 104.9 Ų | 104.9 | 66% | 0.661 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -30 | 169.7 | -73.1 | 171.2 | 179.2 | 173 | 0 | 113.5 | Q892 Q893 | Q892-K896 WeakPolarHBondContact O-CB 3.22Å; Q892-K896 WeakPolarHBondContact O-CG 3.32Å; Q892-K896 PolarHBondContact O-N 2.9Å; Q893-K896 CarbonylContact O-C 3.56Å; Q893-K896 PolarHBondContact O-N 3.3Å |
| 897 | H | 62.7 | Low | 69.7 | Low | 150 Ų | 150 | 104.2 Ų | 104.2 | 69% | 0.694 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -94.2 | -20.4 | 177.6 | -65.5 | -51 | 0 | 0 | 0 | 114.1 | Q893 Q894 L895 | Q893-H897 WeakPolarHBondContact O-CB 3.39Å; Q893-H897 PolarHBondContact O-CD2 2.83Å; Q893-H897 PolarHBondContact O-N 2.86Å; Q894-H897 PolarHBondContact O-N 2.85Å; L895-H897 VanDerWaalsContact C-N 3.3Å; L895-H897 PolarHBondContact O-N 3.43Å |
| 898 | K | 52.4 | Low | 68.8 | Low | 145 Ų | 145 | 102 Ų | 102 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -86.4 | -10.9 | 169.6 | -73 | 165.6 | 176.5 | 164.1 | 0 | 112.6 | Q894 L895 Q900 | Q894-K898 HydrophobicContact CB-CD 4.48Å; Q894-K898 WeakPolarHBondContact O-CB 3.32Å; Q894-K898 WeakPolarHBondContact O-CD 3.46Å; Q894-K898 WeakPolarHBondContact O-CG 3.39Å; Q894-K898 PolarHBondContact O-N 2.8Å; L895-K898 PolarHBondContact O-N 3.47Å; K898-Q900 PolarHBondContact O-N 3.19Å |
| 899 | A | 43.3 | Very low | 68.3 | Low | 48 Ų | 48 | 100.4 Ų | 100.4 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -63.7 | 78 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L895 | L895-A899 PolarHBondContact O-N 2.94Š|
| 900 | Q | 48.3 | Very low | 67.5 | Low | 116 Ų | 116 | 102 Ų | 102 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | trans | -64.3 | 159.5 | -175.4 | -79.4 | -161.5 | -24.4 | 0 | 0 | 112 | K898 H902 Q903 | K898-Q900 PolarHBondContact O-N 3.19Å; Q900-H902 PolarHBondContact O-N 2.92Å; Q900-Q903 VanDerWaalsContact O-CB 3.3Å; Q900-Q903 WeakPolarHBondContact O-CB 3.43Å; Q900-Q903 PolarHBondContact O-N 2.82Å | ||
| 901 | P | 53.9 | Low | 67.2 | Low | 100 Ų | 100 | 100.8 Ų | 100.8 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -50.6 | -28.2 | 171.8 | -28.3 | 35.9 | 0 | 0 | 0 | 114 | Q903 H904 Q905 | P901-Q903 VanDerWaalsContact C-N 3.3Å; P901-Q903 PolarHBondContact O-N 3.46Å; P901-H904 PolarHBondContact O-N 3.43Å; P901-Q905 WeakPolarHBondContact O-CB 3.22Å; P901-Q905 PolarHBondContact O-N 3.46Å |
| 902 | H | 53.5 | Low | 67.3 | Low | 121 Ų | 121 | 96.8 Ų | 96.8 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -25.8 | 175.1 | -60.1 | -41.3 | 0 | 0 | 0 | 114.4 | Q900 A906 | Q900-H902 PolarHBondContact O-N 2.92Å; H902-A906 WeakPolarHBondContact O-CB 3.41Å; H902-A906 PolarHBondContact O-N 2.92Å |
| 903 | Q | 52.6 | Low | 67.8 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -59 | 172.1 | -177.7 | 77.4 | 29.2 | 0 | 0 | 109.3 | Q900 P901 Q905 A906 E907 | Q900-Q903 VanDerWaalsContact O-CB 3.3Å; Q900-Q903 WeakPolarHBondContact O-CB 3.43Å; Q900-Q903 PolarHBondContact O-N 2.82Å; P901-Q903 VanDerWaalsContact C-N 3.3Å; P901-Q903 PolarHBondContact O-N 3.46Å; Q903-Q905 VanDerWaalsContact C-N 3.32Å; Q903-Q905 PolarHBondContact O-N 3.32Å; Q903-A906 PolarHBondContact O-N 3.49Å; Q903-E907 WeakPolarHBondContact CG-OE1 3.43Å; Q903-E907 PolarHBondContact NE2-OE1 2.83Å; Q903-E907 WeakPolarHBondContact O-CB 3.45Å; Q903-E907 VanDerWaalsContact O-CG 3.28Å; Q903-E907 WeakPolarHBondContact O-CG 3.43Å; Q903-E907 PolarHBondContact O-N 3.38Å |
| 904 | H | 60.4 | Low | 68.1 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -30.3 | 178.4 | -67.4 | -28 | 0 | 0 | 0 | 113.5 | P901 E907 A908 | P901-H904 PolarHBondContact O-N 3.43Å; H904-E907 WeakPolarHBondContact CA-OE2 3.31Å; H904-E907 IonicContact CE1-OE2 2.79Å; H904-E907 IonicContact CG-OE2 3.57Å; H904-E907 IonicContact ND1-OE2 3.88Å; H904-E907 PolarHBondContact ND1-OE2 3.09Å; H904-A908 WeakPolarHBondContact O-CB 3.42Å; H904-A908 PolarHBondContact O-N 3.41Å |
| 905 | Q | 62.7 | Low | 68.6 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74 | -33.5 | 174.8 | -166 | 173 | 32.2 | 0 | 0 | 112.1 | P901 Q903 A909 | P901-Q905 WeakPolarHBondContact O-CB 3.22Å; P901-Q905 PolarHBondContact O-N 3.46Å; Q903-Q905 VanDerWaalsContact C-N 3.32Å; Q903-Q905 PolarHBondContact O-N 3.32Å; Q905-A909 WeakPolarHBondContact O-CB 3.31Å; Q905-A909 PolarHBondContact O-N 3.09Å |
| 906 | A | 65.6 | Low | 69.5 | Low | 39 Ų | 39 | 101.4 Ų | 101.4 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -45.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H902 Q903 A908 A909 F910 | H902-A906 WeakPolarHBondContact O-CB 3.41Å; H902-A906 PolarHBondContact O-N 2.92Å; Q903-A906 PolarHBondContact O-N 3.49Å; A906-A908 VanDerWaalsContact C-N 3.34Å; A906-A908 PolarHBondContact O-N 2.86Å; A906-A909 CarbonylContact O-C 3.6Å; A906-A909 PolarHBondContact O-N 3.48Å; A906-A909 VanDerWaalsContact O-N 3.12Å; A906-F910 HydrophobicContact CB-CD2 4.29Å; A906-F910 HydrophobicContact CB-CE2 4.04Å; A906-F910 WeakPolarHBondContact O-CB 3.46Å; A906-F910 WeakPolarHBondContact O-CD2 3.36Å; A906-F910 WeakPolarHBondContact O-CG 3.33Å; A906-F910 PolarHBondContact O-N 2.77Å |
| 907 | E | 72.1 | Confident | 70.6 | Confident | 87 Ų | 87 | 98.3 Ų | 98.3 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 174.8 | -72 | 161.1 | 174.2 | 0 | 0 | 111.7 | Q903 H904 F910 G911 | Q903-E907 WeakPolarHBondContact CG-OE1 3.43Å; Q903-E907 PolarHBondContact NE2-OE1 2.83Å; Q903-E907 WeakPolarHBondContact O-CB 3.45Å; Q903-E907 VanDerWaalsContact O-CG 3.28Å; Q903-E907 WeakPolarHBondContact O-CG 3.43Å; Q903-E907 PolarHBondContact O-N 3.38Å; H904-E907 WeakPolarHBondContact CA-OE2 3.31Å; H904-E907 IonicContact CE1-OE2 2.79Å; H904-E907 IonicContact CG-OE2 3.57Å; H904-E907 IonicContact ND1-OE2 3.88Å; H904-E907 PolarHBondContact ND1-OE2 3.09Å; E907-F910 PolarHBondContact O-N 3.11Å; E907-G911 PolarHBondContact O-N 2.86Å |
| 908 | A | 76.8 | Confident | 71.9 | Confident | 67 Ų | 67 | 95.5 Ų | 95.5 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.3 | -36.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H904 A906 G912 | H904-A908 WeakPolarHBondContact O-CB 3.42Å; H904-A908 PolarHBondContact O-N 3.41Å; A906-A908 VanDerWaalsContact C-N 3.34Å; A906-A908 PolarHBondContact O-N 2.86Å; A908-G912 PolarHBondContact O-N 3.27Å |
| 909 | A | 76.8 | Confident | 73.9 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.9 | -33 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q905 A906 R913 | Q905-A909 WeakPolarHBondContact O-CB 3.31Å; Q905-A909 PolarHBondContact O-N 3.09Å; A906-A909 CarbonylContact O-C 3.6Å; A906-A909 PolarHBondContact O-N 3.48Å; A906-A909 VanDerWaalsContact O-N 3.12Å; A909-R913 WeakPolarHBondContact O-CB 3.49Å; A909-R913 PolarHBondContact O-N 3.38Å |
| 910 | F | 76.3 | Confident | 76.3 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 54% | 0.544 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.3 | -44.7 | 171.6 | -70.8 | -53.3 | 0 | 0 | 0 | 110.8 | A906 E907 R913 I914 | A906-F910 HydrophobicContact CB-CD2 4.29Å; A906-F910 HydrophobicContact CB-CE2 4.04Å; A906-F910 WeakPolarHBondContact O-CB 3.46Å; A906-F910 WeakPolarHBondContact O-CD2 3.36Å; A906-F910 WeakPolarHBondContact O-CG 3.33Å; A906-F910 PolarHBondContact O-N 2.77Å; E907-F910 PolarHBondContact O-N 3.11Å; F910-R913 CarbonylContact O-C 3.53Å; F910-R913 WeakPolarHBondContact O-CA 3.35Å; F910-R913 WeakPolarHBondContact O-CB 3.33Å; F910-R913 PolarHBondContact O-N 3.41Å; F910-I914 VanDerWaalsContact O-CG1 3.28Å; F910-I914 WeakPolarHBondContact O-CG1 3.49Å; F910-I914 PolarHBondContact O-N 3.18Å |
| 911 | G | 86.2 | Confident | 78.4 | Confident | 28 Ų | 28 | 97.1 Ų | 97.1 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56 | -55.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E907 R913 I914 E915 | E907-G911 PolarHBondContact O-N 2.86Å; G911-R913 PolarHBondContact O-N 3.26Å; G911-R913 VanDerWaalsContact O-N 3.12Å; G911-I914 CarbonylContact O-C 3.54Å; G911-I914 WeakPolarHBondContact O-CA 3.27Å; G911-I914 WeakPolarHBondContact O-CB 3.49Å; G911-I914 PolarHBondContact O-N 3.33Å; G911-E915 WeakPolarHBondContact O-CG 3.28Å; G911-E915 PolarHBondContact O-N 3.09Å |
| 912 | G | 87.8 | Confident | 80.2 | Confident | 22 Ų | 22 | 94.6 Ų | 94.6 | 23% | 0.227 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.1 | -12.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A908 R916 | A908-G912 PolarHBondContact O-N 3.27Å; G912-R916 WeakPolarHBondContact O-CG 3.2Å; G912-R916 PolarHBondContact O-NE 3.49Å; G912-R916 PolarHBondContact O-NH2 3.4Å |
| 913 | R | 89.6 | Confident | 82 | Confident | 148 Ų | 148 | 91.9 Ų | 91.9 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.7 | -40.3 | 167.6 | -178.2 | 178.8 | -179.5 | 180 | -0.4 | 111.3 | A909 F910 G911 R916 L917 | A909-R913 WeakPolarHBondContact O-CB 3.49Å; A909-R913 PolarHBondContact O-N 3.38Å; F910-R913 CarbonylContact O-C 3.53Å; F910-R913 WeakPolarHBondContact O-CA 3.35Å; F910-R913 WeakPolarHBondContact O-CB 3.33Å; F910-R913 PolarHBondContact O-N 3.41Å; G911-R913 PolarHBondContact O-N 3.26Å; G911-R913 VanDerWaalsContact O-N 3.12Å; R913-R916 PolarHBondContact O-N 3.48Å; R913-L917 HydrophobicContact CG-CD1 4.13Å; R913-L917 WeakPolarHBondContact O-CB 3.46Å; R913-L917 VanDerWaalsContact O-CG 3.28Å; R913-L917 WeakPolarHBondContact O-CG 3.31Å; R913-L917 PolarHBondContact O-N 2.89Å |
| 914 | I | 88.1 | Confident | 84 | Confident | 97 Ų | 97 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.5 | -69.9 | 161.7 | 0 | 0 | 0 | 110 | F910 G911 L917 N918 | F910-I914 VanDerWaalsContact O-CG1 3.28Å; F910-I914 WeakPolarHBondContact O-CG1 3.49Å; F910-I914 PolarHBondContact O-N 3.18Å; G911-I914 CarbonylContact O-C 3.54Å; G911-I914 WeakPolarHBondContact O-CA 3.27Å; G911-I914 WeakPolarHBondContact O-CB 3.49Å; G911-I914 PolarHBondContact O-N 3.33Å; I914-L917 PolarHBondContact O-N 2.95Å; I914-N918 WeakPolarHBondContact O-CB 3.23Å; I914-N918 PolarHBondContact O-N 3.22Å; I914-N918 PolarHBondContact O-ND2 3.35Å |
| 915 | E | 89.8 | Confident | 85.5 | Confident | 123 Ų | 123 | 89.6 Ų | 89.6 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 174.4 | -72.2 | 179.8 | 165.5 | 0 | 0 | 112.4 | G911 N918 Q919 | G911-E915 WeakPolarHBondContact O-CG 3.28Å; G911-E915 PolarHBondContact O-N 3.09Å; E915-N918 PolarHBondContact O-N 3.08Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.31Å; E915-Q919 PolarHBondContact O-N 3.44Å |
| 916 | R | 92.3 | Very high | 87 | Confident | 144 Ų | 144 | 89.8 Ų | 89.8 | 54% | 0.543 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 174 | -81.2 | 178.9 | -70.6 | 154 | -1.6 | 112 | G912 R913 N918 Q919 E920 | G912-R916 WeakPolarHBondContact O-CG 3.2Å; G912-R916 PolarHBondContact O-NE 3.49Å; G912-R916 PolarHBondContact O-NH2 3.4Å; R913-R916 PolarHBondContact O-N 3.48Å; R916-N918 VanDerWaalsContact C-N 3.27Å; R916-N918 PolarHBondContact O-N 3.01Å; R916-Q919 PolarHBondContact O-N 2.76Å; R916-Q919 VanDerWaalsContact O-N 3.15Å; R916-E920 WeakPolarHBondContact O-CB 3.31Å; R916-E920 WeakPolarHBondContact O-CG 3.27Å; R916-E920 PolarHBondContact O-N 2.93Å |
| 917 | L | 92.3 | Very high | 88.3 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 45% | 0.45 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 175.3 | -72.5 | 170.4 | 0 | 0 | 0 | 112.3 | R913 I914 L921 | R913-L917 HydrophobicContact CG-CD1 4.13Å; R913-L917 WeakPolarHBondContact O-CB 3.46Å; R913-L917 VanDerWaalsContact O-CG 3.28Å; R913-L917 WeakPolarHBondContact O-CG 3.31Å; R913-L917 PolarHBondContact O-N 2.89Å; I914-L917 PolarHBondContact O-N 2.95Å; L917-L921 WeakPolarHBondContact O-CB 3.28Å; L917-L921 PolarHBondContact O-N 2.94Å |
| 918 | N | 89.7 | Confident | 89.2 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.1 | -36.3 | 173.5 | -74.1 | -21 | 0 | 0 | 0 | 112.2 | I914 E915 R916 L921 A922 | I914-N918 WeakPolarHBondContact O-CB 3.23Å; I914-N918 PolarHBondContact O-N 3.22Å; I914-N918 PolarHBondContact O-ND2 3.35Å; E915-N918 PolarHBondContact O-N 3.08Å; R916-N918 VanDerWaalsContact C-N 3.27Å; R916-N918 PolarHBondContact O-N 3.01Å; N918-L921 PolarHBondContact O-N 3.33Å; N918-A922 VanDerWaalsContact O-CB 3.23Å; N918-A922 WeakPolarHBondContact O-CB 3.14Å; N918-A922 PolarHBondContact O-N 2.92Å |
| 919 | Q | 93.3 | Very high | 90 | Very high | 127 Ų | 127 | 93.6 Ų | 93.6 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.5 | -39 | 173 | -69.9 | 170.7 | 25 | 0 | 0 | 111.8 | E915 R916 A922 T923 | E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.31Å; E915-Q919 PolarHBondContact O-N 3.44Å; R916-Q919 PolarHBondContact O-N 2.76Å; R916-Q919 VanDerWaalsContact O-N 3.15Å; Q919-A922 PolarHBondContact O-N 3.21Å; Q919-T923 WeakPolarHBondContact O-CG2 3.15Å; Q919-T923 PolarHBondContact O-N 2.83Å; Q919-T923 PolarHBondContact O-OG1 3.35Å |
| 920 | E | 93.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 169.7 | -74.7 | 178 | -141.9 | 0 | 0 | 110.7 | R916 A922 T923 K924 | R916-E920 WeakPolarHBondContact O-CB 3.31Å; R916-E920 WeakPolarHBondContact O-CG 3.27Å; R916-E920 PolarHBondContact O-N 2.93Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 3.13Å; E920-T923 WeakPolarHBondContact CA-OG1 3.34Å; E920-T923 PolarHBondContact O-N 3.33Å; E920-T923 PolarHBondContact O-OG1 2.82Å; E920-K924 WeakPolarHBondContact O-CB 3.23Å; E920-K924 WeakPolarHBondContact O-CG 3.41Å; E920-K924 PolarHBondContact O-N 3.2Å |
| 921 | L | 93.8 | Very high | 91.5 | Very high | 108 Ų | 108 | 94.9 Ų | 94.9 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.8 | -39.1 | 175.4 | -175.2 | 63.4 | 0 | 0 | 0 | 111.8 | L917 N918 S925 | L917-L921 WeakPolarHBondContact O-CB 3.28Å; L917-L921 PolarHBondContact O-N 2.94Å; N918-L921 PolarHBondContact O-N 3.33Å; L921-S925 WeakPolarHBondContact O-CB 3.39Å; L921-S925 PolarHBondContact O-N 2.91Å; L921-S925 PolarHBondContact O-OG 2.92Å |
| 922 | A | 90.9 | Very high | 91.4 | Very high | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.2 | -33 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N918 Q919 E920 R926 | N918-A922 VanDerWaalsContact O-CB 3.23Å; N918-A922 WeakPolarHBondContact O-CB 3.14Å; N918-A922 PolarHBondContact O-N 2.92Å; Q919-A922 PolarHBondContact O-N 3.21Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 3.13Å; A922-R926 WeakPolarHBondContact O-CG 3.45Å; A922-R926 PolarHBondContact O-N 3.31Å; A922-R926 VanDerWaalsContact O-N 3.11Å; A922-R926 PolarHBondContact O-NE 2.91Å |
| 923 | T | 92.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 99.8 Ų | 99.8 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74 | -42.6 | 172.6 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | Q919 E920 R926 S927 | Q919-T923 WeakPolarHBondContact O-CG2 3.15Å; Q919-T923 PolarHBondContact O-N 2.83Å; Q919-T923 PolarHBondContact O-OG1 3.35Å; E920-T923 WeakPolarHBondContact CA-OG1 3.34Å; E920-T923 PolarHBondContact O-N 3.33Å; E920-T923 PolarHBondContact O-OG1 2.82Å; T923-R926 VanDerWaalsContact CG2-NH2 3.27Å; T923-R926 PolarHBondContact O-N 3.24Å; T923-S927 WeakPolarHBondContact O-CB 3.44Å; T923-S927 PolarHBondContact O-N 2.85Å |
| 924 | K | 93.9 | Very high | 91.6 | Very high | 137 Ų | 137 | 95.6 Ų | 95.6 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 172.3 | -64.2 | -65.5 | 178.8 | -176.2 | 0 | 111.7 | E920 S927 I928 | E920-K924 WeakPolarHBondContact O-CB 3.23Å; E920-K924 WeakPolarHBondContact O-CG 3.41Å; E920-K924 PolarHBondContact O-N 3.2Å; K924-S927 PolarHBondContact O-N 3.49Å; K924-I928 WeakPolarHBondContact O-CB 3.2Å; K924-I928 WeakPolarHBondContact O-CD1 3.35Å; K924-I928 VanDerWaalsContact O-CG1 3.24Å; K924-I928 WeakPolarHBondContact O-CG1 3.24Å; K924-I928 PolarHBondContact O-N 3.29Å |
| 925 | S | 92.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 95.2 Ų | 95.2 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | L921 I928 Q929 | L921-S925 WeakPolarHBondContact O-CB 3.39Å; L921-S925 PolarHBondContact O-N 2.91Å; L921-S925 PolarHBondContact O-OG 2.92Å; S925-I928 PolarHBondContact O-N 3.17Å; S925-Q929 WeakPolarHBondContact O-CG 3.21Å; S925-Q929 PolarHBondContact O-N 2.85Å |
| 926 | R | 93 | Very high | 91.6 | Very high | 133 Ų | 133 | 94.4 Ų | 94.4 | 50% | 0.502 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 172.1 | -79.4 | 179.5 | -74.9 | 146.2 | -14 | 112 | A922 T923 I928 Q929 E930 | A922-R926 WeakPolarHBondContact O-CG 3.45Å; A922-R926 PolarHBondContact O-N 3.31Å; A922-R926 VanDerWaalsContact O-N 3.11Å; A922-R926 PolarHBondContact O-NE 2.91Å; T923-R926 VanDerWaalsContact CG2-NH2 3.27Å; T923-R926 PolarHBondContact O-N 3.24Å; R926-I928 VanDerWaalsContact C-N 3.3Å; R926-I928 PolarHBondContact O-N 3Å; R926-Q929 CarbonylContact O-C 3.56Å; R926-Q929 WeakPolarHBondContact O-CA 3.23Å; R926-Q929 WeakPolarHBondContact O-CB 3.33Å; R926-Q929 PolarHBondContact O-N 3.35Å; R926-E930 WeakPolarHBondContact O-CB 3.39Å; R926-E930 WeakPolarHBondContact O-CG 3.48Å; R926-E930 PolarHBondContact O-N 3.23Å |
| 927 | S | 92.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 94.2 Ų | 94.2 | 34% | 0.336 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | T923 K924 E930 L931 | T923-S927 WeakPolarHBondContact O-CB 3.44Å; T923-S927 PolarHBondContact O-N 2.85Å; K924-S927 PolarHBondContact O-N 3.49Å; S927-E930 PolarHBondContact O-N 2.91Å; S927-L931 VanDerWaalsContact O-CB 3.28Å; S927-L931 WeakPolarHBondContact O-CB 3.32Å; S927-L931 WeakPolarHBondContact O-CG 3.5Å; S927-L931 PolarHBondContact O-N 3.22Å |
| 928 | I | 92.4 | Very high | 90.9 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 54% | 0.538 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 173.2 | -71 | 162.8 | 0 | 0 | 0 | 111.3 | K924 S925 R926 S932 | K924-I928 WeakPolarHBondContact O-CB 3.2Å; K924-I928 WeakPolarHBondContact O-CD1 3.35Å; K924-I928 VanDerWaalsContact O-CG1 3.24Å; K924-I928 WeakPolarHBondContact O-CG1 3.24Å; K924-I928 PolarHBondContact O-N 3.29Å; S925-I928 PolarHBondContact O-N 3.17Å; R926-I928 VanDerWaalsContact C-N 3.3Å; R926-I928 PolarHBondContact O-N 3Å; I928-S932 VanDerWaalsContact O-CB 3.26Å; I928-S932 WeakPolarHBondContact O-CB 3.46Å; I928-S932 PolarHBondContact O-N 3.03Å; I928-S932 PolarHBondContact O-OG 2.7Å |
| 929 | Q | 92 | Very high | 90.2 | Very high | 119 Ų | 119 | 94.9 Ų | 94.9 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 173.3 | -72.6 | 170.6 | -3.9 | 0 | 0 | 111.7 | S925 R926 S932 Q933 | S925-Q929 WeakPolarHBondContact O-CG 3.21Å; S925-Q929 PolarHBondContact O-N 2.85Å; R926-Q929 CarbonylContact O-C 3.56Å; R926-Q929 WeakPolarHBondContact O-CA 3.23Å; R926-Q929 WeakPolarHBondContact O-CB 3.33Å; R926-Q929 PolarHBondContact O-N 3.35Å; Q929-S932 WeakPolarHBondContact O-CB 3.42Å; Q929-S932 PolarHBondContact O-N 2.85Å; Q929-Q933 WeakPolarHBondContact O-CG 3.33Å; Q929-Q933 PolarHBondContact O-N 2.93Å |
| 930 | E | 92.8 | Very high | 89.7 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 174.5 | -71.7 | 159.1 | -162.6 | 0 | 0 | 111.1 | R926 S927 S932 Q933 T934 | R926-E930 WeakPolarHBondContact O-CB 3.39Å; R926-E930 WeakPolarHBondContact O-CG 3.48Å; R926-E930 PolarHBondContact O-N 3.23Å; S927-E930 PolarHBondContact O-N 2.91Å; E930-S932 VanDerWaalsContact C-N 3.31Å; E930-S932 PolarHBondContact O-N 3.33Å; E930-Q933 CarbonylContact O-C 3.55Å; E930-Q933 WeakPolarHBondContact O-CB 3.48Å; E930-Q933 PolarHBondContact O-N 2.68Å; E930-T934 PolarHBondContact O-N 3.03Å; E930-T934 PolarHBondContact O-OG1 3.23Å |
| 931 | L | 92.2 | Very high | 88.9 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 173.6 | -73.5 | 169.4 | 0 | 0 | 0 | 112.2 | S927 T934 I935 | S927-L931 VanDerWaalsContact O-CB 3.28Å; S927-L931 WeakPolarHBondContact O-CB 3.32Å; S927-L931 WeakPolarHBondContact O-CG 3.5Å; S927-L931 PolarHBondContact O-N 3.22Å; L931-T934 WeakPolarHBondContact CA-OG1 3.44Å; L931-T934 PolarHBondContact O-N 2.77Å; L931-T934 PolarHBondContact O-OG1 2.87Å; L931-T934 VanDerWaalsContact O-OG1 3.08Å; L931-I935 VanDerWaalsContact O-CB 3.27Å; L931-I935 WeakPolarHBondContact O-CB 3.47Å; L931-I935 WeakPolarHBondContact O-CD1 3.48Å; L931-I935 WeakPolarHBondContact O-CG1 3.48Å; L931-I935 PolarHBondContact O-N 3.49Å |
| 932 | S | 85.4 | Confident | 88.1 | Confident | 59 Ų | 59 | 98.8 Ų | 98.8 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 111 | I928 Q929 E930 I935 E936 | I928-S932 VanDerWaalsContact O-CB 3.26Å; I928-S932 WeakPolarHBondContact O-CB 3.46Å; I928-S932 PolarHBondContact O-N 3.03Å; I928-S932 PolarHBondContact O-OG 2.7Å; Q929-S932 WeakPolarHBondContact O-CB 3.42Å; Q929-S932 PolarHBondContact O-N 2.85Å; E930-S932 VanDerWaalsContact C-N 3.31Å; E930-S932 PolarHBondContact O-N 3.33Å; S932-I935 PolarHBondContact O-N 3.12Å; S932-E936 WeakPolarHBondContact O-CB 3.42Å; S932-E936 WeakPolarHBondContact O-CG 3.43Å; S932-E936 PolarHBondContact O-N 2.76Å |
| 933 | Q | 91.6 | Very high | 87.3 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 173.9 | -73.2 | -178 | 38.8 | 0 | 0 | 112.8 | Q929 E930 E936 R937 | Q929-Q933 WeakPolarHBondContact O-CG 3.33Å; Q929-Q933 PolarHBondContact O-N 2.93Å; E930-Q933 CarbonylContact O-C 3.55Å; E930-Q933 WeakPolarHBondContact O-CB 3.48Å; E930-Q933 PolarHBondContact O-N 2.68Å; Q933-E936 PolarHBondContact O-N 3.35Å; Q933-R937 WeakPolarHBondContact O-CB 3.49Å; Q933-R937 WeakPolarHBondContact O-CG 3.47Å; Q933-R937 PolarHBondContact O-N 2.88Å |
| 934 | T | 89.1 | Confident | 86.1 | Confident | 61 Ų | 61 | 105 Ų | 105 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.9 | -39.3 | 174.4 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | E930 L931 E936 R937 L938 | E930-T934 PolarHBondContact O-N 3.03Å; E930-T934 PolarHBondContact O-OG1 3.23Å; L931-T934 WeakPolarHBondContact CA-OG1 3.44Å; L931-T934 PolarHBondContact O-N 2.77Å; L931-T934 PolarHBondContact O-OG1 2.87Å; L931-T934 VanDerWaalsContact O-OG1 3.08Å; T934-E936 VanDerWaalsContact C-N 3.32Å; T934-E936 PolarHBondContact O-N 3.31Å; T934-R937 PolarHBondContact O-N 2.88Å; T934-L938 WeakPolarHBondContact O-CB 3.43Å; T934-L938 VanDerWaalsContact O-CG 3.27Å; T934-L938 WeakPolarHBondContact O-CG 3.43Å; T934-L938 PolarHBondContact O-N 3.33Å |
| 935 | I | 87.8 | Confident | 84.5 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 46% | 0.456 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 170.1 | -72.3 | 165.5 | 0 | 0 | 0 | 110.6 | L931 S932 Q939 | L931-I935 VanDerWaalsContact O-CB 3.27Å; L931-I935 WeakPolarHBondContact O-CB 3.47Å; L931-I935 WeakPolarHBondContact O-CD1 3.48Å; L931-I935 WeakPolarHBondContact O-CG1 3.48Å; L931-I935 PolarHBondContact O-N 3.49Å; S932-I935 PolarHBondContact O-N 3.12Å; I935-Q939 HydrophobicContact CG2-CG 4.44Å; I935-Q939 VanDerWaalsContact O-CB 3.27Å; I935-Q939 WeakPolarHBondContact O-CB 3.47Å; I935-Q939 VanDerWaalsContact O-CG 3.25Å; I935-Q939 WeakPolarHBondContact O-CG 3.44Å; I935-Q939 PolarHBondContact O-N 2.77Å |
| 936 | E | 89.4 | Confident | 82.7 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -41 | 173.5 | -82.9 | -163.8 | -170.5 | 0 | 0 | 113 | S932 Q933 T934 Q939 R940 | S932-E936 WeakPolarHBondContact O-CB 3.42Å; S932-E936 WeakPolarHBondContact O-CG 3.43Å; S932-E936 PolarHBondContact O-N 2.76Å; Q933-E936 PolarHBondContact O-N 3.35Å; T934-E936 VanDerWaalsContact C-N 3.32Å; T934-E936 PolarHBondContact O-N 3.31Å; E936-Q939 CarbonylContact O-C 3.59Å; E936-Q939 PolarHBondContact O-N 3.33Å; E936-R940 WeakPolarHBondContact O-CB 3.23Å; E936-R940 WeakPolarHBondContact O-CG 3.34Å; E936-R940 PolarHBondContact O-N 2.79Å; E936-R940 IonicContact OE2-CZ 3.62Å; E936-R940 IonicContact OE2-NE 3.65Å; E936-R940 IonicContact OE2-NH2 2.73Å; E936-R940 PolarHBondContact OE2-NH2 3.13Å |
| 937 | R | 88.2 | Confident | 80.5 | Confident | 140 Ų | 140 | 107.2 Ų | 107.2 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -50.4 | 175.6 | -73.9 | 168.2 | -157.1 | -164.4 | 7.8 | 109.8 | Q933 T934 Q939 R940 E941 | Q933-R937 WeakPolarHBondContact O-CB 3.49Å; Q933-R937 WeakPolarHBondContact O-CG 3.47Å; Q933-R937 PolarHBondContact O-N 2.88Å; T934-R937 PolarHBondContact O-N 2.88Å; R937-Q939 VanDerWaalsContact C-N 3.29Å; R937-Q939 PolarHBondContact O-N 2.79Å; R937-R940 PolarHBondContact O-N 3.31Å; R937-R940 VanDerWaalsContact O-N 3.14Å; R937-E941 VanDerWaalsContact O-CB 3.25Å; R937-E941 WeakPolarHBondContact O-CB 3.23Å; R937-E941 PolarHBondContact O-N 2.75Å |
| 938 | L | 81.5 | Confident | 77.9 | Confident | 105 Ų | 105 | 112 Ų | 112 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -32.2 | 175.3 | -68.9 | 168.5 | 0 | 0 | 0 | 112.5 | T934 R942 | T934-L938 WeakPolarHBondContact O-CB 3.43Å; T934-L938 VanDerWaalsContact O-CG 3.27Å; T934-L938 WeakPolarHBondContact O-CG 3.43Å; T934-L938 PolarHBondContact O-N 3.33Å; L938-R942 WeakPolarHBondContact O-CB 3.47Å; L938-R942 PolarHBondContact O-N 3.14Å |
| 939 | Q | 76.2 | Confident | 75.5 | Confident | 86 Ų | 86 | 113.1 Ų | 113.1 | 40% | 0.402 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.6 | -38.3 | 172.3 | -80.6 | -170.8 | 43.2 | 0 | 0 | 112.7 | I935 E936 R937 R942 R943 | I935-Q939 HydrophobicContact CG2-CG 4.44Å; I935-Q939 VanDerWaalsContact O-CB 3.27Å; I935-Q939 WeakPolarHBondContact O-CB 3.47Å; I935-Q939 VanDerWaalsContact O-CG 3.25Å; I935-Q939 WeakPolarHBondContact O-CG 3.44Å; I935-Q939 PolarHBondContact O-N 2.77Å; E936-Q939 CarbonylContact O-C 3.59Å; E936-Q939 PolarHBondContact O-N 3.33Å; R937-Q939 VanDerWaalsContact C-N 3.29Å; R937-Q939 PolarHBondContact O-N 2.79Å; Q939-R942 PolarHBondContact O-N 3.09Å; Q939-R943 WeakPolarHBondContact O-CB 3.46Å; Q939-R943 WeakPolarHBondContact O-CD 3.43Å; Q939-R943 WeakPolarHBondContact O-CG 3.27Å; Q939-R943 PolarHBondContact O-N 3.04Å |
| 940 | R | 82.1 | Confident | 73.1 | Confident | 126 Ų | 126 | 118.7 Ų | 118.7 | 48% | 0.475 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.9 | -42.1 | 175 | -78 | -179.4 | -102.9 | 119.9 | -10.9 | 110.6 | E936 R937 R943 S944 | E936-R940 WeakPolarHBondContact O-CB 3.23Å; E936-R940 WeakPolarHBondContact O-CG 3.34Å; E936-R940 PolarHBondContact O-N 2.79Å; E936-R940 IonicContact OE2-CZ 3.62Å; E936-R940 IonicContact OE2-NE 3.65Å; E936-R940 IonicContact OE2-NH2 2.73Å; E936-R940 PolarHBondContact OE2-NH2 3.13Å; R937-R940 PolarHBondContact O-N 3.31Å; R937-R940 VanDerWaalsContact O-N 3.14Å; R940-R943 PolarHBondContact O-N 3.4Å; R940-S944 WeakPolarHBondContact O-CB 3.48Å; R940-S944 PolarHBondContact O-N 2.85Å |
| 941 | E | 77.9 | Confident | 70.4 | Confident | 116 Ų | 116 | 122.6 Ų | 122.6 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.4 | -46.8 | 171.4 | -174.7 | 170.9 | -149 | 0 | 0 | 111.3 | R937 R943 S944 M945 | R937-E941 VanDerWaalsContact O-CB 3.25Å; R937-E941 WeakPolarHBondContact O-CB 3.23Å; R937-E941 PolarHBondContact O-N 2.75Å; E941-R943 VanDerWaalsContact C-N 3.33Å; E941-R943 PolarHBondContact O-N 3.46Å; E941-S944 CarbonylContact O-C 3.55Å; E941-S944 WeakPolarHBondContact O-CA 3.34Å; E941-S944 WeakPolarHBondContact O-CB 3.46Å; E941-S944 PolarHBondContact O-N 3.32Å; E941-S944 VanDerWaalsContact O-N 3.1Å; E941-M945 HydrophobicContact CG-CG 4.5Å; E941-M945 WeakPolarHBondContact O-CB 3.24Å; E941-M945 VanDerWaalsContact O-CG 3.27Å; E941-M945 WeakPolarHBondContact O-CG 3.26Å; E941-M945 PolarHBondContact O-N 3.49Å |
| 942 | R | 77.1 | Confident | 67.6 | Low | 183 Ų | 183 | 128.2 Ų | 128.2 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.5 | -39.4 | 173.1 | -174.9 | 178 | -179 | -167.6 | 0.8 | 112.3 | L938 Q939 L946 | L938-R942 WeakPolarHBondContact O-CB 3.47Å; L938-R942 PolarHBondContact O-N 3.14Å; Q939-R942 PolarHBondContact O-N 3.09Å; R942-L946 HydrophobicContact CG-CD1 3.96Å; R942-L946 HydrophobicContact CG-CG 4.44Å; R942-L946 VanDerWaalsContact O-CB 3.25Å; R942-L946 WeakPolarHBondContact O-CB 3.44Å; R942-L946 WeakPolarHBondContact O-CD1 3.31Å; R942-L946 WeakPolarHBondContact O-CG 3.37Å; R942-L946 PolarHBondContact O-N 3.37Å |
| 943 | R | 73.3 | Confident | 65 | Low | 163 Ų | 163 | 130.7 Ų | 130.7 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.3 | -36.4 | 174.1 | -70.8 | 165.9 | -155.1 | -163.5 | 9.1 | 111.6 | Q939 R940 E941 S947 | Q939-R943 WeakPolarHBondContact O-CB 3.46Å; Q939-R943 WeakPolarHBondContact O-CD 3.43Å; Q939-R943 WeakPolarHBondContact O-CG 3.27Å; Q939-R943 PolarHBondContact O-N 3.04Å; R940-R943 PolarHBondContact O-N 3.4Å; E941-R943 VanDerWaalsContact C-N 3.33Å; E941-R943 PolarHBondContact O-N 3.46Å; R943-S947 PolarHBondContact O-N 2.8Å |
| 944 | S | 68.3 | Low | 62.1 | Low | 79 Ų | 79 | 131.9 Ų | 131.9 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.8 | -47.3 | 173.8 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | R940 E941 L946 S947 | R940-S944 WeakPolarHBondContact O-CB 3.48Å; R940-S944 PolarHBondContact O-N 2.85Å; E941-S944 CarbonylContact O-C 3.55Å; E941-S944 WeakPolarHBondContact O-CA 3.34Å; E941-S944 WeakPolarHBondContact O-CB 3.46Å; E941-S944 PolarHBondContact O-N 3.32Å; E941-S944 VanDerWaalsContact O-N 3.1Å; S944-L946 VanDerWaalsContact C-N 3.3Å; S944-L946 PolarHBondContact O-N 2.75Å; S944-S947 WeakPolarHBondContact O-CB 3.46Å; S944-S947 PolarHBondContact O-N 3.38Å; S944-S947 PolarHBondContact O-OG 2.88Å |
| 945 | M | 58.8 | Low | 59.3 | Low | 144 Ų | 144 | 139 Ų | 139 | 71% | 0.709 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -33.9 | 177 | -68.4 | -72.1 | -83.9 | 0 | 0 | 111.7 | E941 S947 M948 | E941-M945 HydrophobicContact CG-CG 4.5Å; E941-M945 WeakPolarHBondContact O-CB 3.24Å; E941-M945 VanDerWaalsContact O-CG 3.27Å; E941-M945 WeakPolarHBondContact O-CG 3.26Å; E941-M945 PolarHBondContact O-N 3.49Å; M945-S947 PolarHBondContact O-N 3.35Å; M945-M948 PolarHBondContact O-N 3.2Å |
| 946 | L | 53.9 | Low | 56.6 | Low | 129 Ų | 129 | 143.1 Ų | 143.1 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -3.1 | 171.8 | -72.1 | 169.9 | 0 | 0 | 0 | 114.3 | R942 S944 | R942-L946 HydrophobicContact CG-CD1 3.96Å; R942-L946 HydrophobicContact CG-CG 4.44Å; R942-L946 VanDerWaalsContact O-CB 3.25Å; R942-L946 WeakPolarHBondContact O-CB 3.44Å; R942-L946 WeakPolarHBondContact O-CD1 3.31Å; R942-L946 WeakPolarHBondContact O-CG 3.37Å; R942-L946 PolarHBondContact O-N 3.37Å; S944-L946 VanDerWaalsContact C-N 3.3Å; S944-L946 PolarHBondContact O-N 2.75Å |
| 947 | S | 47.6 | Very low | 53.7 | Low | 90 Ų | 90 | 143.6 Ų | 143.6 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -3.5 | 173.3 | 77.7 | 0 | 0 | 0 | 0 | 114.1 | R943 S944 M945 | R943-S947 PolarHBondContact O-N 2.8Å; S944-S947 WeakPolarHBondContact O-CB 3.46Å; S944-S947 PolarHBondContact O-N 3.38Å; S944-S947 PolarHBondContact O-OG 2.88Å; M945-S947 PolarHBondContact O-N 3.35Å |
| 948 | M | 39.3 | Very low | 50.9 | Low | 149 Ų | 149 | 140.8 Ų | 140.8 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -81.6 | 140.3 | 173.6 | -81.1 | -66.9 | -169.7 | 0 | 0 | 112.6 | M945 | M945-M948 PolarHBondContact O-N 3.2Š|
| 949 | P | 40.8 | Very low | 48.5 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 154.7 | 176.4 | -26.1 | 36.2 | 0 | 0 | 0 | 115.4 | ||
| 950 | R | 41 | Very low | 46.3 | Very low | 236 Ų | 236 | 146 Ų | 146 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 123.4 | -160.7 | 177.6 | -172.3 | -177.5 | -170.3 | 3.1 | 114.2 | ||
| 951 | Q | 37.3 | Very low | 44.2 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -126.7 | 126.5 | 153.7 | -64.3 | -178.8 | -6.1 | 0 | 0 | 106.6 | ||||
| 952 | R | 33.8 | Very low | 42 | Very low | 216 Ų | 216 | 151 Ų | 151 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | cis | 93 | 68.1 | 29.1 | -158.1 | -171 | 179.5 | 148.3 | 6.3 | 115.3 | ||||
| 953 | S | 30.2 | Very low | 39.9 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -154.1 | 141.8 | 134.2 | -136.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 954 | E | 31.1 | Very low | 37.8 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 56% | 0.561 | 77% | 0.768 | S | S | * | * | cis | 74 | 83.4 | 20.8 | -151.2 | -164.5 | -72.3 | 0 | 0 | 113.9 | ||||
| 955 | R | 29.9 | Very low | 36 | Very low | 211 Ų | 211 | 152.1 Ų | 152.1 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | 169.2 | 168.5 | 124 | -90.3 | 172 | -160.3 | -168.4 | 4.8 | 114.3 | |||||
| 956 | H | 30.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -59.9 | 161.1 | -173.8 | -40.1 | -93.3 | 0 | 0 | 0 | 116.9 | ||||
| 957 | S | 29.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 132.9 | 155.3 | 115.8 | -151.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 958 | A | 28.5 | Very low | 33.5 | Very low | 80 Ų | 80 | 150 Ų | 150 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | 43.8 | 108.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 959 | E | 31.3 | Very low | 33.2 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | 31.1 | 106.7 | 103.5 | -175.2 | 169.2 | -139.5 | 0 | 0 | 118.6 | |||||
| 960 | S | 29.9 | Very low | 32.8 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 178.6 | 158.3 | 133.6 | -85.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 961 | R | 39.3 | Very low | 32.5 | Very low | 251 Ų | 251 | 141.3 Ų | 141.3 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 138.6 | 164.5 | -70.8 | 165.3 | 159.1 | 162.5 | -10.3 | 110.4 | ||||
| 962 | A | 30.3 | Very low | 32.4 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -158.5 | 103 | 148.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 963 | Q | 32.8 | Very low | 32.4 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 31.7 | 154.3 | 124.3 | -131.4 | 157.2 | -73.8 | 0 | 0 | 123.4 | |||||
| 964 | E | 29.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | 69.6 | 143.6 | 161.6 | -82.2 | 142.2 | -130.3 | 0 | 0 | 118 | ||||
| 965 | S | 30.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -148.2 | 166.9 | 27.4 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 966 | S | 46 | Very low | 32.9 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -130.9 | 159 | 162.3 | 61.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 967 | A | 29.2 | Very low | 33 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -135.8 | 118.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 968 | A | 34 | Very low | 33.2 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | 93.5 | 140.5 | 80.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 969 | A | 32.9 | Very low | 33.9 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | cis | -150.5 | 172 | 9.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 970 | D | 31.9 | Very low | 34.6 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | 63 | 139.5 | 159.5 | -66.5 | -20 | 0 | 0 | 0 | 122.5 | ||||
| 971 | G | 34.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -179.4 | -8.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 972 | S | 35.5 | Very low | 35.1 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 149.7 | 170.8 | 93.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 973 | T | 33.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 64.5 | 83.1 | 143.9 | -39.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 974 | Q | 37.3 | Very low | 36.3 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | -173.3 | -178.2 | 100.3 | -120.7 | -179.3 | 15.9 | 0 | 0 | 113.9 | |||||
| 975 | A | 29.3 | Very low | 37.1 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -75.6 | 160.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 976 | G | 36.1 | Very low | 37.9 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | cis | 172.8 | 155.9 | -8.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 977 | R | 31.1 | Very low | 37.8 | Very low | 224 Ų | 224 | 136.6 Ų | 136.6 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 16.4 | 97.3 | 139.1 | -171 | 92.2 | -174.2 | -161.9 | 0.4 | 119.1 | ||||
| 978 | F | 34.5 | Very low | 38.6 | Very low | 175 Ų | 175 | 139 Ų | 139 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 174.7 | 147.3 | -73.7 | -93.1 | 0 | 0 | 0 | 116.2 | ||||
| 979 | P | 43.1 | Very low | 39.4 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -129.5 | -179.3 | 6.4 | 44.3 | -29.1 | 0 | 0 | 0 | 116.2 | ||||
| 980 | A | 45.9 | Very low | 40.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -81.8 | 127 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 981 | A | 32.6 | Very low | 41.1 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 50% | 0.504 | 76% | 0.757 | S | S | . | * | trans | -142.1 | 116 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 982 | Q | 46.6 | Very low | 41.8 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | 51.3 | 80.8 | 73.8 | -65.8 | -166.2 | -11.3 | 0 | 0 | 112.4 | |||||
| 983 | Y | 42.7 | Very low | 42.9 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -118.6 | 42.2 | 165.8 | -86.2 | -89.9 | 0 | 0 | 0 | 111.7 | K985 | Y983-K985 PolarHBondContact O-N 2.97Š| ||
| 984 | E | 47.3 | Very low | 44.1 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 81.8 | 146.9 | -77 | -166.4 | 127.1 | 0 | 0 | 108.1 | ||||
| 985 | K | 44.3 | Very low | 45 | Very low | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -104.9 | 108.9 | 162.3 | -89.9 | -170.7 | 172.1 | -177.7 | 0 | 108.7 | Y983 Y987 | Y983-K985 PolarHBondContact O-N 2.97Å; K985-Y987 PolarHBondContact O-N 2.71Å | ||
| 986 | T | 47 | Very low | 46.5 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 82% | 0.816 | 70% | 0.698 | S | S | * | * | trans | -50.2 | 120.8 | 178.7 | -44.2 | 0 | 0 | 0 | 0 | 110.9 | Q988 | T986-Q988 PolarHBondContact O-N 3.3Å; T986-Q988 VanDerWaalsContact O-N 3.15Å | ||
| 987 | Y | 45 | Very low | 47.9 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | trans | -63.3 | 112.8 | 178.6 | 179 | -111.3 | 0 | 0 | 0 | 110.6 | K985 P989 | K985-Y987 PolarHBondContact O-N 2.71Å; Y987-P989 HydrophobicContact CD1-CG 3.91Å; Y987-P989 HydrophobicContact CE1-CB 3.89Å; Y987-P989 HydrophobicContact CE1-CG 3.64Å | ||
| 988 | Q | 45 | Very low | 50.1 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | trans | -100.4 | 110.6 | 166.7 | -70.9 | -154 | -5.5 | 0 | 0 | 109.1 | T986 S990 | T986-Q988 PolarHBondContact O-N 3.3Å; T986-Q988 VanDerWaalsContact O-N 3.15Å; Q988-S990 PolarHBondContact O-N 3.25Å | ||
| 989 | P | 51.2 | Low | 52 | Low | 95 Ų | 95 | 118.5 Ų | 118.5 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -68.4 | -6.9 | -170.8 | -18.4 | 29 | 0 | 0 | 0 | 116 | Y987 | Y987-P989 HydrophobicContact CD1-CG 3.91Å; Y987-P989 HydrophobicContact CE1-CB 3.89Å; Y987-P989 HydrophobicContact CE1-CG 3.64Å |
| 990 | S | 50.3 | Low | 53.8 | Low | 94 Ų | 94 | 117.2 Ų | 117.2 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -98.7 | 4.7 | -158 | 53.9 | 0 | 0 | 0 | 0 | 116.2 | Q988 | Q988-S990 PolarHBondContact O-N 3.25Š|
| 991 | V | 50.8 | Low | 55.4 | Low | 120 Ų | 120 | 118 Ų | 118 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -107.1 | 1 | -175.8 | -146.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 992 | F | 48.3 | Very low | 58 | Low | 96 Ų | 96 | 121.5 Ų | 121.5 | 42% | 0.421 | 63% | 0.632 | S | S | . | * | trans | -108.1 | 56 | -169.1 | -144 | -90.1 | 0 | 0 | 0 | 113.6 | G994 H996 V997 L1000 | F992-G994 PolarHBondContact O-N 2.59Å; F992-H996 HydrophobicContact CD1-CB 4.44Å; F992-H996 HydrophobicContact CD2-CB 4.25Å; F992-H996 HydrophobicContact CE1-CB 3.86Å; F992-H996 HydrophobicContact CE2-CB 3.65Å; F992-H996 AromaticContact CE2-CD2 3.32Å; F992-H996 WeakPolarHBondContact CE2-CD2 3.42Å; F992-H996 AromaticContact CE2-CE1 3.97Å; F992-H996 AromaticContact CE2-CG 3.27Å; F992-H996 AromaticContact CE2-ND1 3.7Å; F992-H996 AromaticContact CE2-NE2 3.76Å; F992-H996 HydrophobicContact CZ-CB 3.42Å; F992-H996 VanDerWaalsContact CZ-CB 3.42Å; F992-H996 AromaticContact CZ-CD2 3.91Å; F992-H996 AromaticContact CZ-CG 3.34Å; F992-H996 AromaticContact CZ-ND1 3.54Å; F992-V997 HydrophobicContact CD1-CG2 4.04Å; F992-V997 HydrophobicContact CE1-CB 4.42Å; F992-V997 HydrophobicContact CE1-CG2 3.62Å; F992-L1000 HydrophobicContact CE2-CD1 4.5Å; F992-L1000 HydrophobicContact CZ-CD1 3.8Å | ||
| 993 | T | 58.8 | Low | 59.8 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | trans | -88.3 | 103.2 | 179.8 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | S995 | T993-S995 PolarHBondContact O-N 3.23Å; T993-S995 VanDerWaalsContact O-N 3.09Å | ||
| 994 | G | 58.4 | Low | 61.8 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 81 | -85.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F992 H996 V997 | F992-G994 PolarHBondContact O-N 2.59Å; G994-H996 PolarHBondContact O-N 3.09Å; G994-V997 PolarHBondContact O-N 3.24Å |
| 995 | S | 57.4 | Low | 63.8 | Low | 78 Ų | 78 | 108.8 Ų | 108.8 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.3 | -45.8 | -162.2 | -157.9 | 0 | 0 | 0 | 0 | 113.8 | T993 V997 S998 E999 | T993-S995 PolarHBondContact O-N 3.23Å; T993-S995 VanDerWaalsContact O-N 3.09Å; S995-V997 PolarHBondContact O-N 2.92Å; S995-V997 VanDerWaalsContact O-N 3.11Å; S995-S998 PolarHBondContact O-N 2.96Å; S995-E999 VanDerWaalsContact CB-OE1 3.29Å; S995-E999 WeakPolarHBondContact CB-OE1 3.13Å; S995-E999 PolarHBondContact O-N 3.4Å; S995-E999 PolarHBondContact OG-OE1 3.4Å |
| 996 | H | 59.8 | Low | 66 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 42% | 0.417 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.3 | -15.9 | -170 | -160.6 | -19.8 | 0 | 0 | 0 | 113.4 | F992 G994 L1000 | F992-H996 HydrophobicContact CD1-CB 4.44Å; F992-H996 HydrophobicContact CD2-CB 4.25Å; F992-H996 HydrophobicContact CE1-CB 3.86Å; F992-H996 HydrophobicContact CE2-CB 3.65Å; F992-H996 AromaticContact CE2-CD2 3.32Å; F992-H996 WeakPolarHBondContact CE2-CD2 3.42Å; F992-H996 AromaticContact CE2-CE1 3.97Å; F992-H996 AromaticContact CE2-CG 3.27Å; F992-H996 AromaticContact CE2-ND1 3.7Å; F992-H996 AromaticContact CE2-NE2 3.76Å; F992-H996 HydrophobicContact CZ-CB 3.42Å; F992-H996 VanDerWaalsContact CZ-CB 3.42Å; F992-H996 AromaticContact CZ-CD2 3.91Å; F992-H996 AromaticContact CZ-CG 3.34Å; F992-H996 AromaticContact CZ-ND1 3.54Å; G994-H996 PolarHBondContact O-N 3.09Å; H996-L1000 WeakPolarHBondContact O-CB 3.49Å; H996-L1000 WeakPolarHBondContact O-CG 3.29Å; H996-L1000 PolarHBondContact O-N 3.18Å |
| 997 | V | 66.9 | Low | 68.1 | Low | 63 Ų | 63 | 101 Ų | 101 | 38% | 0.382 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -48.5 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | F992 G994 S995 L1000 Q1001 | F992-V997 HydrophobicContact CD1-CG2 4.04Å; F992-V997 HydrophobicContact CE1-CB 4.42Å; F992-V997 HydrophobicContact CE1-CG2 3.62Å; G994-V997 PolarHBondContact O-N 3.24Å; S995-V997 PolarHBondContact O-N 2.92Å; S995-V997 VanDerWaalsContact O-N 3.11Å; V997-L1000 PolarHBondContact O-N 3.08Å; V997-Q1001 WeakPolarHBondContact O-CG 3.37Å; V997-Q1001 PolarHBondContact O-N 3.28Å |
| 998 | S | 75.5 | Confident | 70.3 | Confident | 73 Ų | 73 | 94.5 Ų | 94.5 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.8 | -36 | -176.9 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | S995 Q1001 Q1002 | S995-S998 PolarHBondContact O-N 2.96Å; S998-Q1001 PolarHBondContact O-N 3.46Å; S998-Q1002 WeakPolarHBondContact O-CB 3.49Å; S998-Q1002 PolarHBondContact O-N 3.44Å |
| 999 | E | 75.4 | Confident | 72.6 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 173 | -70.3 | 158.9 | -134.5 | 0 | 0 | 111.2 | S995 Q1001 Q1002 E1003 | S995-E999 VanDerWaalsContact CB-OE1 3.29Å; S995-E999 WeakPolarHBondContact CB-OE1 3.13Å; S995-E999 PolarHBondContact O-N 3.4Å; S995-E999 PolarHBondContact OG-OE1 3.4Å; E999-Q1001 VanDerWaalsContact C-N 3.32Å; E999-Q1001 PolarHBondContact O-N 2.93Å; E999-Q1002 PolarHBondContact O-N 3.34Å; E999-E1003 WeakPolarHBondContact O-CB 3.37Å; E999-E1003 PolarHBondContact O-N 3.01Å |
| 1000 | L | 81.2 | Confident | 74.6 | Confident | 80 Ų | 80 | 95 Ų | 95 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -32 | 174.7 | -73.6 | 177.6 | 0 | 0 | 0 | 112.9 | F992 H996 V997 N1004 | F992-L1000 HydrophobicContact CE2-CD1 4.5Å; F992-L1000 HydrophobicContact CZ-CD1 3.8Å; H996-L1000 WeakPolarHBondContact O-CB 3.49Å; H996-L1000 WeakPolarHBondContact O-CG 3.29Å; H996-L1000 PolarHBondContact O-N 3.18Å; V997-L1000 PolarHBondContact O-N 3.08Å; L1000-N1004 WeakPolarHBondContact O-CB 3.33Å; L1000-N1004 PolarHBondContact O-N 2.94Å |
| 1001 | Q | 80 | Confident | 76.6 | Confident | 116 Ų | 116 | 94.3 Ų | 94.3 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 173.2 | -76.3 | 171.2 | -13.8 | 0 | 0 | 111.1 | V997 S998 E999 E1003 N1004 E1005 | V997-Q1001 WeakPolarHBondContact O-CG 3.37Å; V997-Q1001 PolarHBondContact O-N 3.28Å; S998-Q1001 PolarHBondContact O-N 3.46Å; E999-Q1001 VanDerWaalsContact C-N 3.32Å; E999-Q1001 PolarHBondContact O-N 2.93Å; Q1001-E1003 PolarHBondContact O-N 2.78Å; Q1001-N1004 PolarHBondContact O-N 2.99Å; Q1001-E1005 WeakPolarHBondContact O-CG 3.17Å; Q1001-E1005 PolarHBondContact O-N 3.05Å |
| 1002 | Q | 86.1 | Confident | 78.6 | Confident | 136 Ų | 136 | 94 Ų | 94 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 177.9 | -171.1 | 176.1 | 9 | 0 | 0 | 112.2 | S998 E999 A1006 | S998-Q1002 WeakPolarHBondContact O-CB 3.49Å; S998-Q1002 PolarHBondContact O-N 3.44Å; E999-Q1002 PolarHBondContact O-N 3.34Å; Q1002-A1006 WeakPolarHBondContact O-CB 3.21Å; Q1002-A1006 PolarHBondContact O-N 3.29Å |
| 1003 | E | 85 | Confident | 80.9 | Confident | 114 Ų | 114 | 93.4 Ų | 93.4 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 173.2 | -173.7 | 175.6 | -155.5 | 0 | 0 | 111.4 | E999 Q1001 E1005 A1006 L1007 | E999-E1003 WeakPolarHBondContact O-CB 3.37Å; E999-E1003 PolarHBondContact O-N 3.01Å; Q1001-E1003 PolarHBondContact O-N 2.78Å; E1003-E1005 PolarHBondContact O-N 3.33Å; E1003-A1006 WeakPolarHBondContact O-CB 3.49Å; E1003-A1006 PolarHBondContact O-N 2.99Å; E1003-A1006 VanDerWaalsContact O-N 3.12Å; E1003-L1007 HydrophobicContact CG-CD1 4.08Å; E1003-L1007 HydrophobicContact CG-CG 4.42Å; E1003-L1007 WeakPolarHBondContact O-CB 3.45Å; E1003-L1007 VanDerWaalsContact O-CG 3.31Å; E1003-L1007 WeakPolarHBondContact O-CG 3.5Å; E1003-L1007 PolarHBondContact O-N 3.44Å |
| 1004 | N | 84.8 | Confident | 82.4 | Confident | 103 Ų | 103 | 91.3 Ų | 91.3 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 176.4 | -171.2 | 15.5 | 0 | 0 | 0 | 112 | L1000 Q1001 S1008 | L1000-N1004 WeakPolarHBondContact O-CB 3.33Å; L1000-N1004 PolarHBondContact O-N 2.94Å; Q1001-N1004 PolarHBondContact O-N 2.99Å; N1004-S1008 VanDerWaalsContact O-CB 3.28Å; N1004-S1008 WeakPolarHBondContact O-CB 3.36Å; N1004-S1008 PolarHBondContact O-N 3.32Å; N1004-S1008 PolarHBondContact O-OG 3.31Å |
| 1005 | E | 89.1 | Confident | 84 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 169.4 | -70.5 | -177.1 | -178.1 | 0 | 0 | 112.3 | Q1001 E1003 S1008 R1009 | Q1001-E1005 WeakPolarHBondContact O-CG 3.17Å; Q1001-E1005 PolarHBondContact O-N 3.05Å; E1003-E1005 PolarHBondContact O-N 3.33Å; E1005-S1008 PolarHBondContact O-N 2.81Å; E1005-R1009 VanDerWaalsContact CB-NH1 3.26Å; E1005-R1009 VanDerWaalsContact O-CG 3.27Å; E1005-R1009 WeakPolarHBondContact O-CG 3.47Å; E1005-R1009 PolarHBondContact O-N 3.25Å; E1005-R1009 IonicContact OE2-CZ 3.39Å; E1005-R1009 IonicContact OE2-NH1 3.22Å; E1005-R1009 PolarHBondContact OE2-NH1 2.61Å; E1005-R1009 IonicContact OE2-NH2 2.69Å; E1005-R1009 PolarHBondContact OE2-NH2 2.99Å |
| 1006 | A | 90.4 | Very high | 85.7 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1002 E1003 R1009 H1010 | Q1002-A1006 WeakPolarHBondContact O-CB 3.21Å; Q1002-A1006 PolarHBondContact O-N 3.29Å; E1003-A1006 WeakPolarHBondContact O-CB 3.49Å; E1003-A1006 PolarHBondContact O-N 2.99Å; E1003-A1006 VanDerWaalsContact O-N 3.12Å; A1006-R1009 PolarHBondContact O-N 3.46Å; A1006-H1010 WeakPolarHBondContact O-CB 3.26Å; A1006-H1010 PolarHBondContact O-N 2.96Å |
| 1007 | L | 91 | Very high | 87.3 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 172.2 | -71.3 | 169.8 | 0 | 0 | 0 | 111.4 | E1003 H1010 V1011 | E1003-L1007 HydrophobicContact CG-CD1 4.08Å; E1003-L1007 HydrophobicContact CG-CG 4.42Å; E1003-L1007 WeakPolarHBondContact O-CB 3.45Å; E1003-L1007 VanDerWaalsContact O-CG 3.31Å; E1003-L1007 WeakPolarHBondContact O-CG 3.5Å; E1003-L1007 PolarHBondContact O-N 3.44Å; L1007-H1010 PolarHBondContact O-N 3.16Å; L1007-V1011 WeakPolarHBondContact O-CB 3.48Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.32Å; L1007-V1011 PolarHBondContact O-N 3.41Å |
| 1008 | S | 90.6 | Very high | 88.2 | Confident | 57 Ų | 57 | 94 Ų | 94 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 175.1 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | N1004 E1005 H1010 V1011 E1012 | N1004-S1008 VanDerWaalsContact O-CB 3.28Å; N1004-S1008 WeakPolarHBondContact O-CB 3.36Å; N1004-S1008 PolarHBondContact O-N 3.32Å; N1004-S1008 PolarHBondContact O-OG 3.31Å; E1005-S1008 PolarHBondContact O-N 2.81Å; S1008-H1010 VanDerWaalsContact C-N 3.27Å; S1008-H1010 PolarHBondContact O-N 3.12Å; S1008-V1011 PolarHBondContact O-N 2.87Å; S1008-E1012 WeakPolarHBondContact O-CG 3.32Å; S1008-E1012 PolarHBondContact O-N 2.86Å |
| 1009 | R | 93.4 | Very high | 89 | Confident | 141 Ų | 141 | 95.5 Ų | 95.5 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 173.5 | -67.7 | 166.6 | -171.1 | 117.7 | 5.4 | 112.1 | E1005 A1006 E1012 L1013 | E1005-R1009 VanDerWaalsContact CB-NH1 3.26Å; E1005-R1009 VanDerWaalsContact O-CG 3.27Å; E1005-R1009 WeakPolarHBondContact O-CG 3.47Å; E1005-R1009 PolarHBondContact O-N 3.25Å; E1005-R1009 IonicContact OE2-CZ 3.39Å; E1005-R1009 IonicContact OE2-NH1 3.22Å; E1005-R1009 PolarHBondContact OE2-NH1 2.61Å; E1005-R1009 IonicContact OE2-NH2 2.69Å; E1005-R1009 PolarHBondContact OE2-NH2 2.99Å; A1006-R1009 PolarHBondContact O-N 3.46Å; R1009-E1012 PolarHBondContact O-N 3.3Å; R1009-L1013 WeakPolarHBondContact O-CB 3.45Å; R1009-L1013 PolarHBondContact O-N 3.25Å |
| 1010 | H | 93.4 | Very high | 89.8 | Confident | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 179.3 | -160.4 | 45.5 | 0 | 0 | 0 | 112.2 | A1006 L1007 S1008 L1013 L1014 | A1006-H1010 WeakPolarHBondContact O-CB 3.26Å; A1006-H1010 PolarHBondContact O-N 2.96Å; L1007-H1010 PolarHBondContact O-N 3.16Å; S1008-H1010 VanDerWaalsContact C-N 3.27Å; S1008-H1010 PolarHBondContact O-N 3.12Å; H1010-L1013 PolarHBondContact O-N 3.29Å; H1010-L1014 WeakPolarHBondContact O-CB 3.43Å; H1010-L1014 VanDerWaalsContact O-CG 3.3Å; H1010-L1014 WeakPolarHBondContact O-CG 3.47Å; H1010-L1014 PolarHBondContact O-N 3.07Å |
| 1011 | V | 92.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 47% | 0.473 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 171.9 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | L1007 S1008 Q1015 | L1007-V1011 WeakPolarHBondContact O-CB 3.48Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.32Å; L1007-V1011 PolarHBondContact O-N 3.41Å; S1008-V1011 PolarHBondContact O-N 2.87Å; V1011-Q1015 WeakPolarHBondContact O-CB 3.41Å; V1011-Q1015 WeakPolarHBondContact O-CG 3.16Å; V1011-Q1015 PolarHBondContact O-N 2.85Å |
| 1012 | E | 93.1 | Very high | 90.9 | Very high | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 172.7 | -75 | 177.9 | 165.8 | 0 | 0 | 111.9 | S1008 R1009 Q1015 Q1016 | S1008-E1012 WeakPolarHBondContact O-CG 3.32Å; S1008-E1012 PolarHBondContact O-N 2.86Å; R1009-E1012 PolarHBondContact O-N 3.3Å; E1012-Q1015 WeakPolarHBondContact O-CB 3.49Å; E1012-Q1015 PolarHBondContact O-N 3Å; E1012-Q1016 WeakPolarHBondContact O-CG 3.38Å; E1012-Q1016 PolarHBondContact O-N 2.91Å |
| 1013 | L | 95.6 | Very high | 91.3 | Very high | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 179 | -163.8 | 153.9 | 0 | 0 | 0 | 111.7 | R1009 H1010 Q1015 Q1016 Q1017 | R1009-L1013 WeakPolarHBondContact O-CB 3.45Å; R1009-L1013 PolarHBondContact O-N 3.25Å; H1010-L1013 PolarHBondContact O-N 3.29Å; L1013-Q1015 VanDerWaalsContact C-N 3.31Å; L1013-Q1015 PolarHBondContact O-N 2.8Å; L1013-Q1016 WeakPolarHBondContact O-CB 3.34Å; L1013-Q1016 PolarHBondContact O-N 3.37Å; L1013-Q1016 VanDerWaalsContact O-N 3.1Å; L1013-Q1017 HydrophobicContact CD2-CG 4.15Å; L1013-Q1017 PolarHBondContact O-N 2.9Å |
| 1014 | L | 92 | Very high | 91.8 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 45% | 0.445 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -35.2 | 171.6 | -73.4 | 166.9 | 0 | 0 | 0 | 112.1 | H1010 S1018 | H1010-L1014 WeakPolarHBondContact O-CB 3.43Å; H1010-L1014 VanDerWaalsContact O-CG 3.3Å; H1010-L1014 WeakPolarHBondContact O-CG 3.47Å; H1010-L1014 PolarHBondContact O-N 3.07Å; L1014-S1018 VanDerWaalsContact O-CB 3.26Å; L1014-S1018 WeakPolarHBondContact O-CB 3.37Å; L1014-S1018 PolarHBondContact O-N 3.15Å |
| 1015 | Q | 91.5 | Very high | 92.2 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.6 | -33.9 | 171 | -81.2 | -168.5 | 27.9 | 0 | 0 | 112.7 | V1011 E1012 L1013 K1019 | V1011-Q1015 WeakPolarHBondContact O-CB 3.41Å; V1011-Q1015 WeakPolarHBondContact O-CG 3.16Å; V1011-Q1015 PolarHBondContact O-N 2.85Å; E1012-Q1015 WeakPolarHBondContact O-CB 3.49Å; E1012-Q1015 PolarHBondContact O-N 3Å; L1013-Q1015 VanDerWaalsContact C-N 3.31Å; L1013-Q1015 PolarHBondContact O-N 2.8Å; Q1015-K1019 WeakPolarHBondContact O-CB 3.42Å; Q1015-K1019 WeakPolarHBondContact O-CD 3.39Å; Q1015-K1019 WeakPolarHBondContact O-CG 3.14Å; Q1015-K1019 PolarHBondContact O-N 3.39Å; Q1015-K1019 VanDerWaalsContact O-N 3.07Å |
| 1016 | Q | 92.9 | Very high | 92.4 | Very high | 110 Ų | 110 | 98.6 Ų | 98.6 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.6 | -48.2 | 175 | -72.3 | 173.6 | 31.6 | 0 | 0 | 110.9 | E1012 L1013 S1018 K1019 Q1020 | E1012-Q1016 WeakPolarHBondContact O-CG 3.38Å; E1012-Q1016 PolarHBondContact O-N 2.91Å; L1013-Q1016 WeakPolarHBondContact O-CB 3.34Å; L1013-Q1016 PolarHBondContact O-N 3.37Å; L1013-Q1016 VanDerWaalsContact O-N 3.1Å; Q1016-S1018 PolarHBondContact O-N 2.75Å; Q1016-K1019 WeakPolarHBondContact O-CB 3.37Å; Q1016-K1019 PolarHBondContact O-N 3.45Å; Q1016-Q1020 WeakPolarHBondContact O-CG 3.41Å; Q1016-Q1020 PolarHBondContact O-N 3.17Å |
| 1017 | Q | 93 | Very high | 92.6 | Very high | 88 Ų | 88 | 98.9 Ų | 98.9 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 173.3 | -72.5 | 176.1 | -30.3 | 0 | 0 | 111.1 | L1013 K1019 Q1020 E1021 | L1013-Q1017 HydrophobicContact CD2-CG 4.15Å; L1013-Q1017 PolarHBondContact O-N 2.9Å; Q1017-K1019 PolarHBondContact O-N 3.36Å; Q1017-K1019 VanDerWaalsContact O-N 3.16Å; Q1017-Q1020 WeakPolarHBondContact O-CB 3.19Å; Q1017-Q1020 PolarHBondContact O-N 3Å; Q1017-Q1020 VanDerWaalsContact O-N 3.08Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.42Å; Q1017-E1021 PolarHBondContact O-N 3.5Å |
| 1018 | S | 85.5 | Confident | 92.7 | Very high | 40 Ų | 40 | 98.7 Ų | 98.7 | 28% | 0.28 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.2 | -5.2 | 178.6 | -153.1 | 0 | 0 | 0 | 0 | 114.4 | L1014 Q1016 K1022 | L1014-S1018 VanDerWaalsContact O-CB 3.26Å; L1014-S1018 WeakPolarHBondContact O-CB 3.37Å; L1014-S1018 PolarHBondContact O-N 3.15Å; Q1016-S1018 PolarHBondContact O-N 2.75Å; S1018-K1022 VanDerWaalsContact O-CD 3.27Å; S1018-K1022 WeakPolarHBondContact O-CD 3.36Å; S1018-K1022 WeakPolarHBondContact O-CG 3.15Å; S1018-K1022 PolarHBondContact O-NZ 3Å; S1018-K1022 PolarHBondContact OG-NZ 3.41Å |
| 1019 | K | 92 | Very high | 92.7 | Very high | 105 Ų | 105 | 98.1 Ų | 98.1 | 46% | 0.457 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -85.7 | -46.9 | 163.5 | -74.7 | 158.4 | -166.1 | 164.2 | 0 | 109.9 | Q1015 Q1016 Q1017 K1022 E1023 | Q1015-K1019 WeakPolarHBondContact O-CB 3.42Å; Q1015-K1019 WeakPolarHBondContact O-CD 3.39Å; Q1015-K1019 WeakPolarHBondContact O-CG 3.14Å; Q1015-K1019 PolarHBondContact O-N 3.39Å; Q1015-K1019 VanDerWaalsContact O-N 3.07Å; Q1016-K1019 WeakPolarHBondContact O-CB 3.37Å; Q1016-K1019 PolarHBondContact O-N 3.45Å; Q1017-K1019 PolarHBondContact O-N 3.36Å; Q1017-K1019 VanDerWaalsContact O-N 3.16Å; K1019-K1022 CarbonylContact O-C 3.57Å; K1019-K1022 WeakPolarHBondContact O-CB 3.37Å; K1019-K1022 PolarHBondContact O-N 2.66Å; K1019-K1022 VanDerWaalsContact O-N 3.13Å; K1019-E1023 WeakPolarHBondContact O-CG 3.21Å; K1019-E1023 PolarHBondContact O-N 3.38Å |
| 1020 | Q | 93.6 | Very high | 92.8 | Very high | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.2 | -52.1 | 176.3 | -70.4 | 169 | -32.7 | 0 | 0 | 112 | Q1016 Q1017 K1022 E1023 E1024 | Q1016-Q1020 WeakPolarHBondContact O-CG 3.41Å; Q1016-Q1020 PolarHBondContact O-N 3.17Å; Q1017-Q1020 WeakPolarHBondContact O-CB 3.19Å; Q1017-Q1020 PolarHBondContact O-N 3Å; Q1017-Q1020 VanDerWaalsContact O-N 3.08Å; Q1020-K1022 PolarHBondContact O-N 2.94Å; Q1020-E1023 CarbonylContact O-C 3.6Å; Q1020-E1023 WeakPolarHBondContact O-CA 3.36Å; Q1020-E1023 PolarHBondContact O-N 2.91Å; Q1020-E1024 PolarHBondContact O-N 2.8Å |
| 1021 | E | 91.9 | Very high | 92.8 | Very high | 107 Ų | 107 | 94.3 Ų | 94.3 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.5 | -40.3 | 174.3 | -68.4 | 172.1 | 156 | 0 | 0 | 112.3 | Q1017 E1023 L1025 | Q1017-E1021 WeakPolarHBondContact O-CG 3.42Å; Q1017-E1021 PolarHBondContact O-N 3.5Å; E1021-E1023 VanDerWaalsContact C-N 3.28Å; E1021-E1023 PolarHBondContact O-N 2.89Å; E1021-L1025 VanDerWaalsContact O-CB 3.26Å; E1021-L1025 WeakPolarHBondContact O-CB 3.09Å; E1021-L1025 WeakPolarHBondContact O-CG 3.35Å; E1021-L1025 PolarHBondContact O-N 2.72Å |
| 1022 | K | 91.5 | Very high | 92.8 | Very high | 109 Ų | 109 | 93.3 Ų | 93.3 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.9 | -18.3 | 177.6 | -72.4 | -177.1 | -167.8 | 86.7 | 0 | 112.8 | S1018 K1019 Q1020 K1026 | S1018-K1022 VanDerWaalsContact O-CD 3.27Å; S1018-K1022 WeakPolarHBondContact O-CD 3.36Å; S1018-K1022 WeakPolarHBondContact O-CG 3.15Å; S1018-K1022 PolarHBondContact O-NZ 3Å; S1018-K1022 PolarHBondContact OG-NZ 3.41Å; K1019-K1022 CarbonylContact O-C 3.57Å; K1019-K1022 WeakPolarHBondContact O-CB 3.37Å; K1019-K1022 PolarHBondContact O-N 2.66Å; K1019-K1022 VanDerWaalsContact O-N 3.13Å; Q1020-K1022 PolarHBondContact O-N 2.94Å; K1022-K1026 WeakPolarHBondContact O-CD 3.05Å; K1022-K1026 WeakPolarHBondContact O-CE 3.24Å; K1022-K1026 WeakPolarHBondContact O-CG 3.48Å; K1022-K1026 PolarHBondContact O-N 2.81Å |
| 1023 | E | 94 | Very high | 92.8 | Very high | 116 Ų | 116 | 94.1 Ų | 94.1 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -88.9 | -41.2 | 175.5 | -77.1 | 162.7 | -162.4 | 0 | 0 | 110.7 | K1019 Q1020 E1021 K1026 A1027 | K1019-E1023 WeakPolarHBondContact O-CG 3.21Å; K1019-E1023 PolarHBondContact O-N 3.38Å; Q1020-E1023 CarbonylContact O-C 3.6Å; Q1020-E1023 WeakPolarHBondContact O-CA 3.36Å; Q1020-E1023 PolarHBondContact O-N 2.91Å; E1021-E1023 VanDerWaalsContact C-N 3.28Å; E1021-E1023 PolarHBondContact O-N 2.89Å; E1023-K1026 WeakPolarHBondContact O-CB 3.34Å; E1023-K1026 PolarHBondContact O-N 3.31Å; E1023-A1027 WeakPolarHBondContact O-CB 3.3Å; E1023-A1027 PolarHBondContact O-N 3.36Å |
| 1024 | E | 95.4 | Very high | 92.7 | Very high | 123 Ų | 123 | 95.6 Ų | 95.6 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.7 | -48 | 168.8 | -69.5 | 178.7 | -176.5 | 0 | 0 | 111.8 | Q1020 K1026 A1027 N1028 | Q1020-E1024 PolarHBondContact O-N 2.8Å; E1024-K1026 VanDerWaalsContact C-N 3.26Å; E1024-K1026 PolarHBondContact O-N 3.1Å; E1024-A1027 PolarHBondContact O-N 2.83Å; E1024-A1027 VanDerWaalsContact O-N 3.15Å; E1024-N1028 WeakPolarHBondContact O-CB 3.36Å; E1024-N1028 VanDerWaalsContact O-CG 3.25Å; E1024-N1028 PolarHBondContact O-N 2.8Å; E1024-N1028 PolarHBondContact O-ND2 3.33Å |
| 1025 | L | 93.7 | Very high | 92.9 | Very high | 120 Ų | 120 | 96.2 Ų | 96.2 | 63% | 0.628 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -30.3 | 175.7 | -73.3 | 171.4 | 0 | 0 | 0 | 112.6 | E1021 A1029 | E1021-L1025 VanDerWaalsContact O-CB 3.26Å; E1021-L1025 WeakPolarHBondContact O-CB 3.09Å; E1021-L1025 WeakPolarHBondContact O-CG 3.35Å; E1021-L1025 PolarHBondContact O-N 2.72Å; L1025-A1029 WeakPolarHBondContact O-CB 3.16Å; L1025-A1029 PolarHBondContact O-N 2.75Å |
| 1026 | K | 93.1 | Very high | 93 | Very high | 126 Ų | 126 | 95.7 Ų | 95.7 | 55% | 0.548 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.6 | -44.1 | 171.3 | -76.1 | 163.9 | -157.9 | 158.7 | 0 | 111.3 | K1022 E1023 E1024 A1029 V1030 | K1022-K1026 WeakPolarHBondContact O-CD 3.05Å; K1022-K1026 WeakPolarHBondContact O-CE 3.24Å; K1022-K1026 WeakPolarHBondContact O-CG 3.48Å; K1022-K1026 PolarHBondContact O-N 2.81Å; E1023-K1026 WeakPolarHBondContact O-CB 3.34Å; E1023-K1026 PolarHBondContact O-N 3.31Å; E1024-K1026 VanDerWaalsContact C-N 3.26Å; E1024-K1026 PolarHBondContact O-N 3.1Å; K1026-A1029 CarbonylContact O-C 3.55Å; K1026-A1029 PolarHBondContact O-N 3.1Å; K1026-V1030 WeakPolarHBondContact O-CG2 3.32Å; K1026-V1030 PolarHBondContact O-N 3.37Å |
| 1027 | A | 94.4 | Very high | 93 | Very high | 57 Ų | 57 | 93.4 Ų | 93.4 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1023 E1024 A1029 V1030 Q1031 | E1023-A1027 WeakPolarHBondContact O-CB 3.3Å; E1023-A1027 PolarHBondContact O-N 3.36Å; E1024-A1027 PolarHBondContact O-N 2.83Å; E1024-A1027 VanDerWaalsContact O-N 3.15Å; A1027-A1029 VanDerWaalsContact C-N 3.3Å; A1027-A1029 PolarHBondContact O-N 3.21Å; A1027-V1030 WeakPolarHBondContact O-CA 3.42Å; A1027-V1030 WeakPolarHBondContact O-CB 3.42Å; A1027-V1030 PolarHBondContact O-N 2.66Å; A1027-Q1031 PolarHBondContact O-N 3.04Å |
| 1028 | N | 93.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 174.4 | -66.7 | -23.6 | 0 | 0 | 0 | 111.6 | E1024 V1030 A1032 | E1024-N1028 WeakPolarHBondContact O-CB 3.36Å; E1024-N1028 VanDerWaalsContact O-CG 3.25Å; E1024-N1028 PolarHBondContact O-N 2.8Å; E1024-N1028 PolarHBondContact O-ND2 3.33Å; N1028-V1030 VanDerWaalsContact C-N 3.26Å; N1028-V1030 PolarHBondContact O-N 2.65Å; N1028-A1032 VanDerWaalsContact O-CB 3.28Å; N1028-A1032 WeakPolarHBondContact O-CB 3.46Å; N1028-A1032 PolarHBondContact O-N 3.3Å |
| 1029 | A | 91 | Very high | 93.7 | Very high | 44 Ų | 44 | 99.4 Ų | 99.4 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77 | -3.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1025 K1026 A1027 K1033 | L1025-A1029 WeakPolarHBondContact O-CB 3.16Å; L1025-A1029 PolarHBondContact O-N 2.75Å; K1026-A1029 CarbonylContact O-C 3.55Å; K1026-A1029 PolarHBondContact O-N 3.1Å; A1027-A1029 VanDerWaalsContact C-N 3.3Å; A1027-A1029 PolarHBondContact O-N 3.21Å; A1029-K1033 VanDerWaalsContact O-CD 3.25Å; A1029-K1033 WeakPolarHBondContact O-CD 3.43Å; A1029-K1033 WeakPolarHBondContact O-CE 3.46Å; A1029-K1033 VanDerWaalsContact O-CG 3.32Å; A1029-K1033 WeakPolarHBondContact O-CG 3.21Å; A1029-K1033 PolarHBondContact O-NZ 2.68Å |
| 1030 | V | 94.5 | Very high | 93.8 | Very high | 70 Ų | 70 | 100.5 Ų | 100.5 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -93.3 | -51.6 | 166.1 | 166.4 | 0 | 0 | 0 | 0 | 108.9 | K1026 A1027 N1028 A1032 K1033 E1034 | K1026-V1030 WeakPolarHBondContact O-CG2 3.32Å; K1026-V1030 PolarHBondContact O-N 3.37Å; A1027-V1030 WeakPolarHBondContact O-CA 3.42Å; A1027-V1030 WeakPolarHBondContact O-CB 3.42Å; A1027-V1030 PolarHBondContact O-N 2.66Å; N1028-V1030 VanDerWaalsContact C-N 3.26Å; N1028-V1030 PolarHBondContact O-N 2.65Å; V1030-A1032 VanDerWaalsContact C-N 3.34Å; V1030-A1032 PolarHBondContact O-N 3.02Å; V1030-K1033 WeakPolarHBondContact O-CA 3.25Å; V1030-K1033 WeakPolarHBondContact O-CB 3.4Å; V1030-K1033 PolarHBondContact O-N 3.08Å; V1030-E1034 HydrophobicContact CG1-CG 4.41Å; V1030-E1034 VanDerWaalsContact CG1-OE1 3.29Å; V1030-E1034 WeakPolarHBondContact CG1-OE1 3.35Å; V1030-E1034 PolarHBondContact O-N 2.99Å |
| 1031 | Q | 93.9 | Very high | 93.8 | Very high | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -53.5 | -48 | 176.2 | -177.8 | -178.2 | -21 | 0 | 0 | 112 | A1027 K1033 E1034 E1035 | A1027-Q1031 PolarHBondContact O-N 3.04Å; Q1031-K1033 PolarHBondContact O-N 3.48Å; Q1031-K1033 VanDerWaalsContact O-N 3.15Å; Q1031-E1034 PolarHBondContact O-N 3.38Å; Q1031-E1035 HydrophobicContact CG-CG 4.46Å; Q1031-E1035 WeakPolarHBondContact CG-OE1 3.28Å; Q1031-E1035 PolarHBondContact NE2-OE1 2.7Å; Q1031-E1035 PolarHBondContact O-N 3.25Å |
| 1032 | A | 92.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -19.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1028 V1030 L1036 | N1028-A1032 VanDerWaalsContact O-CB 3.28Å; N1028-A1032 WeakPolarHBondContact O-CB 3.46Å; N1028-A1032 PolarHBondContact O-N 3.3Å; V1030-A1032 VanDerWaalsContact C-N 3.34Å; V1030-A1032 PolarHBondContact O-N 3.02Å; A1032-L1036 WeakPolarHBondContact O-CB 3.06Å; A1032-L1036 PolarHBondContact O-N 2.75Å |
| 1033 | K | 92.7 | Very high | 94 | Very high | 131 Ų | 131 | 100.8 Ų | 100.8 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -83.5 | -37.6 | 170.5 | -67.7 | 175.2 | -171.2 | 122.9 | 0 | 111.5 | A1029 V1030 Q1031 L1036 C1037 | A1029-K1033 VanDerWaalsContact O-CD 3.25Å; A1029-K1033 WeakPolarHBondContact O-CD 3.43Å; A1029-K1033 WeakPolarHBondContact O-CE 3.46Å; A1029-K1033 VanDerWaalsContact O-CG 3.32Å; A1029-K1033 WeakPolarHBondContact O-CG 3.21Å; A1029-K1033 PolarHBondContact O-NZ 2.68Å; V1030-K1033 WeakPolarHBondContact O-CA 3.25Å; V1030-K1033 WeakPolarHBondContact O-CB 3.4Å; V1030-K1033 PolarHBondContact O-N 3.08Å; Q1031-K1033 PolarHBondContact O-N 3.48Å; Q1031-K1033 VanDerWaalsContact O-N 3.15Å; K1033-L1036 CarbonylContact O-C 3.58Å; K1033-L1036 PolarHBondContact O-N 2.99Å; K1033-C1037 WeakPolarHBondContact O-CB 3.35Å; K1033-C1037 PolarHBondContact O-N 2.87Å; K1033-C1037 PolarHBondContact O-SG 2.78Å |
| 1034 | E | 94.3 | Very high | 94.1 | Very high | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.9 | -69.1 | 174.9 | -177.7 | 0 | 0 | 111.4 | V1030 Q1031 L1036 C1037 R1038 | V1030-E1034 HydrophobicContact CG1-CG 4.41Å; V1030-E1034 VanDerWaalsContact CG1-OE1 3.29Å; V1030-E1034 WeakPolarHBondContact CG1-OE1 3.35Å; V1030-E1034 PolarHBondContact O-N 2.99Å; Q1031-E1034 PolarHBondContact O-N 3.38Å; E1034-L1036 VanDerWaalsContact C-N 3.35Å; E1034-L1036 PolarHBondContact O-N 2.92Å; E1034-C1037 PolarHBondContact O-N 2.75Å; E1034-R1038 PolarHBondContact O-N 3.38Å |
| 1035 | E | 95.3 | Very high | 94 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 172.4 | -70.1 | 174.9 | -167.6 | 0 | 0 | 111.8 | Q1031 C1037 R1038 L1039 | Q1031-E1035 HydrophobicContact CG-CG 4.46Å; Q1031-E1035 WeakPolarHBondContact CG-OE1 3.28Å; Q1031-E1035 PolarHBondContact NE2-OE1 2.7Å; Q1031-E1035 PolarHBondContact O-N 3.25Å; E1035-C1037 VanDerWaalsContact C-N 3.3Å; E1035-C1037 PolarHBondContact O-N 2.81Å; E1035-R1038 PolarHBondContact O-N 3.46Å; E1035-L1039 WeakPolarHBondContact O-CG 3Å; E1035-L1039 PolarHBondContact O-N 2.79Å |
| 1036 | L | 93.4 | Very high | 94.1 | Very high | 93 Ų | 93 | 98 Ų | 98 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.4 | -21.9 | 177.5 | -173.2 | 146.7 | 0 | 0 | 0 | 113.2 | A1032 K1033 E1034 K1040 | A1032-L1036 WeakPolarHBondContact O-CB 3.06Å; A1032-L1036 PolarHBondContact O-N 2.75Å; K1033-L1036 CarbonylContact O-C 3.58Å; K1033-L1036 PolarHBondContact O-N 2.99Å; E1034-L1036 VanDerWaalsContact C-N 3.35Å; E1034-L1036 PolarHBondContact O-N 2.92Å; L1036-K1040 HydrophobicContact CD2-CD 4.26Å; L1036-K1040 VanDerWaalsContact CD2-CE 3.49Å; L1036-K1040 WeakPolarHBondContact O-CD 3.44Å; L1036-K1040 VanDerWaalsContact O-CG 3.27Å; L1036-K1040 WeakPolarHBondContact O-CG 3.35Å |
| 1037 | C | 93.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 97 Ų | 97 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.8 | -48.5 | 167.7 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | K1033 E1034 E1035 L1039 K1040 E1041 | K1033-C1037 WeakPolarHBondContact O-CB 3.35Å; K1033-C1037 PolarHBondContact O-N 2.87Å; K1033-C1037 PolarHBondContact O-SG 2.78Å; E1034-C1037 PolarHBondContact O-N 2.75Å; E1035-C1037 VanDerWaalsContact C-N 3.3Å; E1035-C1037 PolarHBondContact O-N 2.81Å; C1037-L1039 PolarHBondContact O-N 3.46Å; C1037-K1040 WeakPolarHBondContact O-CA 3.44Å; C1037-K1040 WeakPolarHBondContact O-CB 3.45Å; C1037-K1040 PolarHBondContact O-N 3.31Å; C1037-E1041 PolarHBondContact O-N 3.37Å |
| 1038 | R | 96.7 | Very high | 94.2 | Very high | 168 Ų | 168 | 97.9 Ų | 97.9 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.1 | -49.4 | 176.3 | -77.4 | -177.4 | 173.7 | 174.3 | 0.2 | 112.3 | E1034 E1035 K1040 E1041 E1042 | E1034-R1038 PolarHBondContact O-N 3.38Å; E1035-R1038 PolarHBondContact O-N 3.46Å; R1038-K1040 PolarHBondContact O-N 3.06Å; R1038-E1041 WeakPolarHBondContact O-CB 3.46Å; R1038-E1041 PolarHBondContact O-N 3.04Å; R1038-E1042 WeakPolarHBondContact O-CG 3.24Å; R1038-E1042 PolarHBondContact O-N 3.27Å |
| 1039 | L | 95.6 | Very high | 94.3 | Very high | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 176.8 | -72.8 | 169.4 | 0 | 0 | 0 | 112.6 | E1035 C1037 F1043 | E1035-L1039 WeakPolarHBondContact O-CG 3Å; E1035-L1039 PolarHBondContact O-N 2.79Å; C1037-L1039 PolarHBondContact O-N 3.46Å; L1039-F1043 HydrophobicContact CB-CE2 4.49Å; L1039-F1043 WeakPolarHBondContact O-CB 3.32Å; L1039-F1043 WeakPolarHBondContact O-CD2 3.33Å; L1039-F1043 WeakPolarHBondContact O-CG 3.35Å; L1039-F1043 PolarHBondContact O-N 3.42Å |
| 1040 | K | 93.8 | Very high | 94.5 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.6 | -35.9 | 175 | -75.1 | 170.2 | -179 | 172.1 | 0 | 112.6 | L1036 C1037 R1038 A1044 | L1036-K1040 HydrophobicContact CD2-CD 4.26Å; L1036-K1040 VanDerWaalsContact CD2-CE 3.49Å; L1036-K1040 WeakPolarHBondContact O-CD 3.44Å; L1036-K1040 VanDerWaalsContact O-CG 3.27Å; L1036-K1040 WeakPolarHBondContact O-CG 3.35Å; C1037-K1040 WeakPolarHBondContact O-CA 3.44Å; C1037-K1040 WeakPolarHBondContact O-CB 3.45Å; C1037-K1040 PolarHBondContact O-N 3.31Å; R1038-K1040 PolarHBondContact O-N 3.06Å; K1040-A1044 VanDerWaalsContact O-CB 3.24Å; K1040-A1044 WeakPolarHBondContact O-CB 3.45Å; K1040-A1044 PolarHBondContact O-N 2.81Å |
| 1041 | E | 94.3 | Very high | 94.6 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -48.6 | 175.4 | -71.3 | 163.6 | 176.5 | 0 | 0 | 109.6 | C1037 R1038 F1043 A1044 E1045 | C1037-E1041 PolarHBondContact O-N 3.37Å; R1038-E1041 WeakPolarHBondContact O-CB 3.46Å; R1038-E1041 PolarHBondContact O-N 3.04Å; E1041-F1043 PolarHBondContact O-N 3.04Å; E1041-A1044 CarbonylContact O-C 3.6Å; E1041-A1044 WeakPolarHBondContact O-CA 3.26Å; E1041-A1044 WeakPolarHBondContact O-CB 3.39Å; E1041-A1044 PolarHBondContact O-N 3.27Å; E1041-E1045 WeakPolarHBondContact O-CG 3.36Å; E1041-E1045 PolarHBondContact O-N 3.41Å |
| 1042 | E | 94.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 100.8 Ų | 100.8 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55.4 | -47.3 | 173.1 | -70.4 | 168.9 | -153.3 | 0 | 0 | 112.6 | R1038 A1044 E1045 Q1046 | R1038-E1042 WeakPolarHBondContact O-CG 3.24Å; R1038-E1042 PolarHBondContact O-N 3.27Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 2.9Å; E1042-E1045 PolarHBondContact O-N 3.37Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.47Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.19Å; E1042-Q1046 PolarHBondContact O-N 3.05Å |
| 1043 | F | 93.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 101.8 Ų | 101.8 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -32 | 175.7 | -72.8 | -50.5 | 0 | 0 | 0 | 113 | L1039 E1041 L1047 | L1039-F1043 HydrophobicContact CB-CE2 4.49Å; L1039-F1043 WeakPolarHBondContact O-CB 3.32Å; L1039-F1043 WeakPolarHBondContact O-CD2 3.33Å; L1039-F1043 WeakPolarHBondContact O-CG 3.35Å; L1039-F1043 PolarHBondContact O-N 3.42Å; E1041-F1043 PolarHBondContact O-N 3.04Å; F1043-L1047 WeakPolarHBondContact O-CB 3.16Å; F1043-L1047 WeakPolarHBondContact O-CG 3.42Å; F1043-L1047 PolarHBondContact O-N 3.25Å |
| 1044 | A | 94.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1040 E1041 E1042 L1047 S1048 | K1040-A1044 VanDerWaalsContact O-CB 3.24Å; K1040-A1044 WeakPolarHBondContact O-CB 3.45Å; K1040-A1044 PolarHBondContact O-N 2.81Å; E1041-A1044 CarbonylContact O-C 3.6Å; E1041-A1044 WeakPolarHBondContact O-CA 3.26Å; E1041-A1044 WeakPolarHBondContact O-CB 3.39Å; E1041-A1044 PolarHBondContact O-N 3.27Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 2.9Å; A1044-L1047 PolarHBondContact O-N 2.82Å; A1044-S1048 WeakPolarHBondContact O-CB 3.46Å; A1044-S1048 PolarHBondContact O-N 3.2Å |
| 1045 | E | 94.4 | Very high | 95 | Very high | 138 Ų | 138 | 100.3 Ų | 100.3 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -44.4 | 173.7 | -73.2 | -176.1 | 173.6 | 0 | 0 | 111.6 | E1041 E1042 L1047 S1048 C1049 | E1041-E1045 WeakPolarHBondContact O-CG 3.36Å; E1041-E1045 PolarHBondContact O-N 3.41Å; E1042-E1045 PolarHBondContact O-N 3.37Å; E1045-L1047 PolarHBondContact O-N 2.99Å; E1045-S1048 WeakPolarHBondContact O-CB 3.25Å; E1045-S1048 PolarHBondContact O-N 2.87Å; E1045-S1048 VanDerWaalsContact O-N 3.1Å; E1045-C1049 WeakPolarHBondContact O-CB 3.43Å; E1045-C1049 PolarHBondContact O-N 2.92Å |
| 1046 | Q | 95.3 | Very high | 95 | Very high | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 172.3 | -71.8 | 169.5 | 27.2 | 0 | 0 | 111.5 | E1042 S1048 C1049 V1050 | E1042-Q1046 WeakPolarHBondContact O-CB 3.47Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.19Å; E1042-Q1046 PolarHBondContact O-N 3.05Å; Q1046-S1048 VanDerWaalsContact C-N 3.29Å; Q1046-S1048 PolarHBondContact O-N 2.72Å; Q1046-C1049 PolarHBondContact O-N 2.97Å; Q1046-V1050 WeakPolarHBondContact O-CG2 3.39Å; Q1046-V1050 PolarHBondContact O-N 3.09Å |
| 1047 | L | 94.6 | Very high | 95.2 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -30.8 | 174.5 | -85.6 | 164.8 | 0 | 0 | 0 | 113.2 | F1043 A1044 E1045 K1051 | F1043-L1047 WeakPolarHBondContact O-CB 3.16Å; F1043-L1047 WeakPolarHBondContact O-CG 3.42Å; F1043-L1047 PolarHBondContact O-N 3.25Å; A1044-L1047 PolarHBondContact O-N 2.82Å; E1045-L1047 PolarHBondContact O-N 2.99Å; L1047-K1051 WeakPolarHBondContact O-CB 3.13Å; L1047-K1051 VanDerWaalsContact O-CD 3.25Å; L1047-K1051 WeakPolarHBondContact O-CD 3.21Å; L1047-K1051 WeakPolarHBondContact O-CG 3.39Å; L1047-K1051 PolarHBondContact O-N 3.36Å |
| 1048 | S | 94.9 | Very high | 95.3 | Very high | 76 Ų | 76 | 101.5 Ų | 101.5 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.2 | -47.8 | 175.2 | -164.7 | 0 | 0 | 0 | 0 | 111 | A1044 E1045 Q1046 V1050 K1051 A1052 | A1044-S1048 WeakPolarHBondContact O-CB 3.46Å; A1044-S1048 PolarHBondContact O-N 3.2Å; E1045-S1048 WeakPolarHBondContact O-CB 3.25Å; E1045-S1048 PolarHBondContact O-N 2.87Å; E1045-S1048 VanDerWaalsContact O-N 3.1Å; Q1046-S1048 VanDerWaalsContact C-N 3.29Å; Q1046-S1048 PolarHBondContact O-N 2.72Å; S1048-V1050 PolarHBondContact O-N 3.25Å; S1048-K1051 PolarHBondContact O-N 3.45Å; S1048-A1052 WeakPolarHBondContact O-CB 3.45Å; S1048-A1052 PolarHBondContact O-N 2.76Å |
| 1049 | C | 96.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 99.2 Ų | 99.2 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 112 | E1045 Q1046 K1051 A1052 E1053 | E1045-C1049 WeakPolarHBondContact O-CB 3.43Å; E1045-C1049 PolarHBondContact O-N 2.92Å; Q1046-C1049 PolarHBondContact O-N 2.97Å; C1049-K1051 VanDerWaalsContact C-N 3.31Å; C1049-K1051 PolarHBondContact O-N 3.14Å; C1049-A1052 PolarHBondContact O-N 3.47Å; C1049-E1053 PolarHBondContact O-N 3.29Å |
| 1050 | V | 95.2 | Very high | 95.3 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -36 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 112 | Q1046 S1048 H1054 | Q1046-V1050 WeakPolarHBondContact O-CG2 3.39Å; Q1046-V1050 PolarHBondContact O-N 3.09Å; S1048-V1050 PolarHBondContact O-N 3.25Å; V1050-H1054 WeakPolarHBondContact O-CB 3.44Å; V1050-H1054 PolarHBondContact O-N 3.07Å |
| 1051 | K | 96.8 | Very high | 95.4 | Very high | 132 Ų | 132 | 100.9 Ų | 100.9 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.5 | -41.8 | 173.3 | -73.5 | 167.7 | -170.1 | 172.4 | 0 | 112 | L1047 S1048 C1049 H1054 L1055 | L1047-K1051 WeakPolarHBondContact O-CB 3.13Å; L1047-K1051 VanDerWaalsContact O-CD 3.25Å; L1047-K1051 WeakPolarHBondContact O-CD 3.21Å; L1047-K1051 WeakPolarHBondContact O-CG 3.39Å; L1047-K1051 PolarHBondContact O-N 3.36Å; S1048-K1051 PolarHBondContact O-N 3.45Å; C1049-K1051 VanDerWaalsContact C-N 3.31Å; C1049-K1051 PolarHBondContact O-N 3.14Å; K1051-H1054 PolarHBondContact O-N 3.01Å; K1051-L1055 WeakPolarHBondContact O-CG 3.13Å; K1051-L1055 PolarHBondContact O-N 3.27Å |
| 1052 | A | 94.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1048 C1049 H1054 L1055 R1056 | S1048-A1052 WeakPolarHBondContact O-CB 3.45Å; S1048-A1052 PolarHBondContact O-N 2.76Å; C1049-A1052 PolarHBondContact O-N 3.47Å; A1052-H1054 PolarHBondContact O-N 2.72Å; A1052-L1055 PolarHBondContact O-N 2.93Å; A1052-R1056 WeakPolarHBondContact O-CB 3.3Å; A1052-R1056 PolarHBondContact O-N 3.29Å |
| 1053 | E | 92.9 | Very high | 95.4 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 36% | 0.36 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 175.6 | -76.1 | -60.7 | 132.9 | 0 | 0 | 112.8 | C1049 R1056 V1057 R1060 | C1049-E1053 PolarHBondContact O-N 3.29Å; E1053-R1056 WeakPolarHBondContact O-CB 3.45Å; E1053-R1056 PolarHBondContact O-N 3.26Å; E1053-R1056 VanDerWaalsContact OE1-CD 3.27Å; E1053-R1056 WeakPolarHBondContact OE1-CD 3.47Å; E1053-R1056 IonicContact OE1-CZ 3Å; E1053-R1056 IonicContact OE1-NH1 3.84Å; E1053-R1056 PolarHBondContact OE1-NH1 3.3Å; E1053-V1057 WeakPolarHBondContact O-CG2 3.19Å; E1053-V1057 PolarHBondContact O-N 2.94Å; E1053-R1060 IonicContact OE2-NH1 2.7Å |
| 1054 | H | 96.1 | Very high | 95.3 | Very high | 114 Ų | 114 | 97.1 Ų | 97.1 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 171.6 | 179.7 | 44.8 | 0 | 0 | 0 | 112.4 | V1050 K1051 A1052 R1056 V1057 L1058 | V1050-H1054 WeakPolarHBondContact O-CB 3.44Å; V1050-H1054 PolarHBondContact O-N 3.07Å; K1051-H1054 PolarHBondContact O-N 3.01Å; A1052-H1054 PolarHBondContact O-N 2.72Å; H1054-R1056 VanDerWaalsContact C-N 3.32Å; H1054-R1056 PolarHBondContact O-N 2.94Å; H1054-V1057 PolarHBondContact O-N 3.15Å; H1054-L1058 WeakPolarHBondContact O-CG 3.46Å; H1054-L1058 PolarHBondContact O-N 3.31Å |
| 1055 | L | 96.4 | Very high | 95.2 | Very high | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 172.6 | -71.4 | 168.9 | 0 | 0 | 0 | 110.8 | K1051 A1052 V1057 L1058 E1059 | K1051-L1055 WeakPolarHBondContact O-CG 3.13Å; K1051-L1055 PolarHBondContact O-N 3.27Å; A1052-L1055 PolarHBondContact O-N 2.93Å; L1055-V1057 VanDerWaalsContact C-N 3.29Å; L1055-V1057 PolarHBondContact O-N 3.17Å; L1055-L1058 CarbonylContact O-C 3.6Å; L1055-L1058 WeakPolarHBondContact O-CA 3.45Å; L1055-L1058 WeakPolarHBondContact O-CB 3.46Å; L1055-L1058 PolarHBondContact O-N 3.44Å; L1055-E1059 WeakPolarHBondContact O-CG 3.31Å; L1055-E1059 PolarHBondContact O-N 2.69Å |
| 1056 | R | 96.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 96.2 Ų | 96.2 | 50% | 0.498 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -33.9 | 176.9 | -135.3 | 174.7 | -168.2 | 170.1 | 4.9 | 113.7 | A1052 E1053 H1054 R1060 | A1052-R1056 WeakPolarHBondContact O-CB 3.3Å; A1052-R1056 PolarHBondContact O-N 3.29Å; E1053-R1056 WeakPolarHBondContact O-CB 3.45Å; E1053-R1056 PolarHBondContact O-N 3.26Å; E1053-R1056 VanDerWaalsContact OE1-CD 3.27Å; E1053-R1056 WeakPolarHBondContact OE1-CD 3.47Å; E1053-R1056 IonicContact OE1-CZ 3Å; E1053-R1056 IonicContact OE1-NH1 3.84Å; E1053-R1056 PolarHBondContact OE1-NH1 3.3Å; H1054-R1056 VanDerWaalsContact C-N 3.32Å; H1054-R1056 PolarHBondContact O-N 2.94Å; R1056-R1060 WeakPolarHBondContact O-CB 3.41Å; R1056-R1060 WeakPolarHBondContact O-CD 3.38Å; R1056-R1060 WeakPolarHBondContact O-CG 3.02Å; R1056-R1060 PolarHBondContact O-N 2.93Å |
| 1057 | V | 96.7 | Very high | 94.8 | Very high | 77 Ų | 77 | 96.9 Ų | 96.9 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71 | -39.8 | 173.1 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | E1053 H1054 L1055 R1060 L1061 | E1053-V1057 WeakPolarHBondContact O-CG2 3.19Å; E1053-V1057 PolarHBondContact O-N 2.94Å; H1054-V1057 PolarHBondContact O-N 3.15Å; L1055-V1057 VanDerWaalsContact C-N 3.29Å; L1055-V1057 PolarHBondContact O-N 3.17Å; V1057-R1060 PolarHBondContact O-N 3.18Å; V1057-L1061 WeakPolarHBondContact O-CB 3.49Å; V1057-L1061 PolarHBondContact O-N 2.74Å |
| 1058 | L | 96.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 98 Ų | 98 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.4 | -68.4 | 171.7 | 0 | 0 | 0 | 112 | H1054 L1055 L1061 Q1062 | H1054-L1058 WeakPolarHBondContact O-CG 3.46Å; H1054-L1058 PolarHBondContact O-N 3.31Å; L1055-L1058 CarbonylContact O-C 3.6Å; L1055-L1058 WeakPolarHBondContact O-CA 3.45Å; L1055-L1058 WeakPolarHBondContact O-CB 3.46Å; L1055-L1058 PolarHBondContact O-N 3.44Å; L1058-L1061 PolarHBondContact O-N 3.11Å; L1058-Q1062 WeakPolarHBondContact O-CB 3.31Å; L1058-Q1062 WeakPolarHBondContact O-CG 3.31Å; L1058-Q1062 PolarHBondContact O-N 3.37Å |
| 1059 | E | 95.1 | Very high | 94.1 | Very high | 119 Ų | 119 | 100.1 Ų | 100.1 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 174.1 | -72.3 | 168.4 | 174.8 | 0 | 0 | 111.5 | L1055 Q1062 A1063 | L1055-E1059 WeakPolarHBondContact O-CG 3.31Å; L1055-E1059 PolarHBondContact O-N 2.69Å; E1059-Q1062 PolarHBondContact O-N 2.8Å; E1059-A1063 WeakPolarHBondContact O-CB 3.42Å; E1059-A1063 PolarHBondContact O-N 2.94Å |
| 1060 | R | 96.8 | Very high | 93.9 | Very high | 136 Ų | 136 | 97.9 Ų | 97.9 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.1 | -75.4 | 168.4 | -175.6 | 148.3 | 3.6 | 111.9 | E1053 R1056 V1057 A1063 T1064 | E1053-R1060 IonicContact OE2-NH1 2.7Å; R1056-R1060 WeakPolarHBondContact O-CB 3.41Å; R1056-R1060 WeakPolarHBondContact O-CD 3.38Å; R1056-R1060 WeakPolarHBondContact O-CG 3.02Å; R1056-R1060 PolarHBondContact O-N 2.93Å; V1057-R1060 PolarHBondContact O-N 3.18Å; R1060-A1063 PolarHBondContact O-N 3.35Å; R1060-T1064 PolarHBondContact O-N 3.12Å; R1060-T1064 PolarHBondContact O-OG1 2.98Å |
| 1061 | L | 96.4 | Very high | 93.6 | Very high | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | -179.5 | -161.6 | 81.6 | 0 | 0 | 0 | 112 | V1057 L1058 T1064 H1065 | V1057-L1061 WeakPolarHBondContact O-CB 3.49Å; V1057-L1061 PolarHBondContact O-N 2.74Å; L1058-L1061 PolarHBondContact O-N 3.11Å; L1061-T1064 PolarHBondContact O-OG1 3.35Å; L1061-T1064 VanDerWaalsContact O-OG1 3.05Å; L1061-H1065 VanDerWaalsContact O-CB 3.3Å; L1061-H1065 WeakPolarHBondContact O-CB 3.37Å; L1061-H1065 PolarHBondContact O-N 2.96Å |
| 1062 | Q | 95.5 | Very high | 93.3 | Very high | 136 Ų | 136 | 95.5 Ų | 95.5 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 173.2 | -72.7 | 175 | 0.9 | 0 | 0 | 111.3 | L1058 E1059 A1066 | L1058-Q1062 WeakPolarHBondContact O-CB 3.31Å; L1058-Q1062 WeakPolarHBondContact O-CG 3.31Å; L1058-Q1062 PolarHBondContact O-N 3.37Å; E1059-Q1062 PolarHBondContact O-N 2.8Å; Q1062-A1066 WeakPolarHBondContact O-CB 3.22Å; Q1062-A1066 PolarHBondContact O-N 3.42Å |
| 1063 | A | 93.4 | Very high | 93.2 | Very high | 49 Ų | 49 | 96.5 Ų | 96.5 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1059 R1060 A1066 L1067 | E1059-A1063 WeakPolarHBondContact O-CB 3.42Å; E1059-A1063 PolarHBondContact O-N 2.94Å; R1060-A1063 PolarHBondContact O-N 3.35Å; A1063-A1066 PolarHBondContact O-N 2.83Å; A1063-L1067 VanDerWaalsContact O-CG 3.3Å; A1063-L1067 WeakPolarHBondContact O-CG 3.14Å; A1063-L1067 PolarHBondContact O-N 3.25Å |
| 1064 | T | 92.2 | Very high | 93.2 | Very high | 67 Ų | 67 | 96.8 Ų | 96.8 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | R1060 L1061 A1066 L1067 E1068 | R1060-T1064 PolarHBondContact O-N 3.12Å; R1060-T1064 PolarHBondContact O-OG1 2.98Å; L1061-T1064 PolarHBondContact O-OG1 3.35Å; L1061-T1064 VanDerWaalsContact O-OG1 3.05Å; T1064-A1066 VanDerWaalsContact C-N 3.31Å; T1064-A1066 PolarHBondContact O-N 2.8Å; T1064-L1067 PolarHBondContact O-N 3.38Å; T1064-L1067 VanDerWaalsContact O-N 3.09Å; T1064-E1068 WeakPolarHBondContact O-CB 3.22Å; T1064-E1068 WeakPolarHBondContact O-CG 3.31Å; T1064-E1068 PolarHBondContact O-N 2.76Å |
| 1065 | H | 92.4 | Very high | 93 | Very high | 112 Ų | 112 | 93.4 Ų | 93.4 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.6 | -175.4 | -72.5 | 0 | 0 | 0 | 112 | L1061 L1067 H1069 | L1061-H1065 VanDerWaalsContact O-CB 3.3Å; L1061-H1065 WeakPolarHBondContact O-CB 3.37Å; L1061-H1065 PolarHBondContact O-N 2.96Å; H1065-L1067 VanDerWaalsContact C-N 3.31Å; H1065-L1067 PolarHBondContact O-N 2.79Å; H1065-H1069 AromaticContact CD2-CD2 3.73Å; H1065-H1069 AromaticContact CE1-CD2 3.46Å; H1065-H1069 PolarHBondContact CE1-CD2 3.5Å; H1065-H1069 VanDerWaalsContact CE1-CD2 3.46Å; H1065-H1069 AromaticContact CG-CD2 3.77Å; H1065-H1069 AromaticContact ND1-CD2 3.6Å; H1065-H1069 AromaticContact NE2-CD2 3.57Å; H1065-H1069 AromaticContact NE2-NE2 3.82Å; H1065-H1069 WeakPolarHBondContact O-CB 3.49Å; H1065-H1069 PolarHBondContact O-CD2 3.49Å; H1065-H1069 PolarHBondContact O-N 3.37Å |
| 1066 | A | 91.5 | Very high | 92.9 | Very high | 62 Ų | 62 | 92.2 Ų | 92.2 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -26.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1062 A1063 T1064 S1070 | Q1062-A1066 WeakPolarHBondContact O-CB 3.22Å; Q1062-A1066 PolarHBondContact O-N 3.42Å; A1063-A1066 PolarHBondContact O-N 2.83Å; T1064-A1066 VanDerWaalsContact C-N 3.31Å; T1064-A1066 PolarHBondContact O-N 2.8Å; A1066-S1070 WeakPolarHBondContact O-CA 3.33Å; A1066-S1070 VanDerWaalsContact O-CB 3.32Å; A1066-S1070 WeakPolarHBondContact O-CB 3.3Å; A1066-S1070 PolarHBondContact O-N 3.08Å; A1066-S1070 VanDerWaalsContact O-N 3.16Å |
| 1067 | L | 89.8 | Confident | 92.7 | Very high | 120 Ų | 120 | 90.9 Ų | 90.9 | 63% | 0.628 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -80.2 | -45.3 | 173.9 | -71.9 | 167.7 | 0 | 0 | 0 | 111.8 | A1063 T1064 H1065 S1070 | A1063-L1067 VanDerWaalsContact O-CG 3.3Å; A1063-L1067 WeakPolarHBondContact O-CG 3.14Å; A1063-L1067 PolarHBondContact O-N 3.25Å; T1064-L1067 PolarHBondContact O-N 3.38Å; T1064-L1067 VanDerWaalsContact O-N 3.09Å; H1065-L1067 VanDerWaalsContact C-N 3.31Å; H1065-L1067 PolarHBondContact O-N 2.79Å; L1067-S1070 VanDerWaalsContact O-CB 3.23Å; L1067-S1070 WeakPolarHBondContact O-CB 3.35Å; L1067-S1070 PolarHBondContact O-N 2.91Å; L1067-S1070 PolarHBondContact O-OG 3.5Å |
| 1068 | E | 88.1 | Confident | 92.7 | Very high | 128 Ų | 128 | 89.7 Ų | 89.7 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 178.7 | -71.2 | 173 | 159 | 0 | 0 | 112 | T1064 K1073 | T1064-E1068 WeakPolarHBondContact O-CB 3.22Å; T1064-E1068 WeakPolarHBondContact O-CG 3.31Å; T1064-E1068 PolarHBondContact O-N 2.76Å; E1068-K1073 WeakPolarHBondContact O-CB 3.2Å; E1068-K1073 WeakPolarHBondContact O-CG 3.48Å |
| 1069 | H | 86.9 | Confident | 92.7 | Very high | 122 Ų | 122 | 91.2 Ų | 91.2 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 17.5 | 173.5 | -60.9 | -76.6 | 0 | 0 | 0 | 113.3 | H1065 | H1065-H1069 AromaticContact CD2-CD2 3.73Å; H1065-H1069 AromaticContact CE1-CD2 3.46Å; H1065-H1069 PolarHBondContact CE1-CD2 3.5Å; H1065-H1069 VanDerWaalsContact CE1-CD2 3.46Å; H1065-H1069 AromaticContact CG-CD2 3.77Å; H1065-H1069 AromaticContact ND1-CD2 3.6Å; H1065-H1069 AromaticContact NE2-CD2 3.57Å; H1065-H1069 AromaticContact NE2-NE2 3.82Å; H1065-H1069 WeakPolarHBondContact O-CB 3.49Å; H1065-H1069 PolarHBondContact O-CD2 3.49Å; H1065-H1069 PolarHBondContact O-N 3.37Å |
| 1070 | S | 91.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 91.1 Ų | 91.1 | 22% | 0.224 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -63 | 147.5 | 173.5 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | A1066 L1067 S1072 K1073 V1074 | A1066-S1070 WeakPolarHBondContact O-CA 3.33Å; A1066-S1070 VanDerWaalsContact O-CB 3.32Å; A1066-S1070 WeakPolarHBondContact O-CB 3.3Å; A1066-S1070 PolarHBondContact O-N 3.08Å; A1066-S1070 VanDerWaalsContact O-N 3.16Å; L1067-S1070 VanDerWaalsContact O-CB 3.23Å; L1067-S1070 WeakPolarHBondContact O-CB 3.35Å; L1067-S1070 PolarHBondContact O-N 2.91Å; L1067-S1070 PolarHBondContact O-OG 3.5Å; S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-K1073 PolarHBondContact O-N 2.8Å; S1070-K1073 WeakPolarHBondContact OG-CB 3.05Å; S1070-K1073 PolarHBondContact OG-N 3.16Å; S1070-K1073 VanDerWaalsContact OG-N 3.13Å; S1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; S1070-V1074 PolarHBondContact O-N 3.16Å |
| 1071 | S | 89.4 | Confident | 92.8 | Very high | 107 Ų | 107 | 89.7 Ų | 89.7 | 75% | 0.748 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.6 | -32.7 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | A1075 | S1071-A1075 WeakPolarHBondContact O-CB 3.46Å; S1071-A1075 PolarHBondContact O-N 3.34Å |
| 1072 | S | 89.1 | Confident | 92.9 | Very high | 78 Ų | 78 | 87.7 Ų | 87.7 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 171.8 | -167.4 | 0 | 0 | 0 | 0 | 112 | S1070 A1075 E1076 | S1070-S1072 PolarHBondContact O-N 3.26Å; S1072-A1075 PolarHBondContact O-N 2.94Å; S1072-E1076 PolarHBondContact O-N 3.3Å |
| 1073 | K | 94.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 85.1 Ų | 85.1 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.6 | -36.8 | -178.9 | -163.8 | 51.6 | 158.3 | -168.1 | 0 | 112.9 | E1068 S1070 A1075 E1076 L1077 | E1068-K1073 WeakPolarHBondContact O-CB 3.2Å; E1068-K1073 WeakPolarHBondContact O-CG 3.48Å; S1070-K1073 PolarHBondContact O-N 2.8Å; S1070-K1073 WeakPolarHBondContact OG-CB 3.05Å; S1070-K1073 PolarHBondContact OG-N 3.16Å; S1070-K1073 VanDerWaalsContact OG-N 3.13Å; K1073-A1075 VanDerWaalsContact C-N 3.32Å; K1073-E1076 HydrophobicContact CD-CB 4.37Å; K1073-E1076 HydrophobicContact CD-CG 4.47Å; K1073-E1076 WeakPolarHBondContact CD-OE1 3.32Å; K1073-E1076 IonicContact NZ-OE1 3.14Å; K1073-E1076 PolarHBondContact NZ-OE1 3.37Å; K1073-E1076 IonicContact NZ-OE2 3.7Å; K1073-E1076 PolarHBondContact NZ-OE2 3.34Å; K1073-E1076 PolarHBondContact O-N 2.68Å; K1073-L1077 WeakPolarHBondContact O-CG 3.3Å; K1073-L1077 PolarHBondContact O-N 2.76Å; K1073-L1077 VanDerWaalsContact O-N 3.13Å |
| 1074 | V | 92.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 88.8 Ų | 88.8 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 171 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | S1070 L1077 S1078 | S1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; S1070-V1074 PolarHBondContact O-N 3.16Å; V1074-L1077 PolarHBondContact O-N 2.97Å; V1074-S1078 VanDerWaalsContact O-CB 3.3Å; V1074-S1078 WeakPolarHBondContact O-CB 3.49Å; V1074-S1078 PolarHBondContact O-N 3.22Å |
| 1075 | A | 91 | Very high | 93.4 | Very high | 43 Ų | 43 | 89.4 Ų | 89.4 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1071 S1072 K1073 L1077 S1078 N1079 | S1071-A1075 WeakPolarHBondContact O-CB 3.46Å; S1071-A1075 PolarHBondContact O-N 3.34Å; S1072-A1075 PolarHBondContact O-N 2.94Å; K1073-A1075 VanDerWaalsContact C-N 3.32Å; A1075-L1077 VanDerWaalsContact C-N 3.34Å; A1075-L1077 PolarHBondContact O-N 3.11Å; A1075-S1078 PolarHBondContact O-N 2.75Å; A1075-N1079 VanDerWaalsContact O-CB 3.28Å; A1075-N1079 WeakPolarHBondContact O-CB 3.23Å; A1075-N1079 PolarHBondContact O-N 2.74Å; A1075-N1079 PolarHBondContact O-ND2 2.68Å |
| 1076 | E | 93.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 170.8 | -79.6 | -176.3 | -129.4 | 0 | 0 | 111.9 | S1072 K1073 K1080 | S1072-E1076 PolarHBondContact O-N 3.3Å; K1073-E1076 HydrophobicContact CD-CB 4.37Å; K1073-E1076 HydrophobicContact CD-CG 4.47Å; K1073-E1076 WeakPolarHBondContact CD-OE1 3.32Å; K1073-E1076 IonicContact NZ-OE1 3.14Å; K1073-E1076 PolarHBondContact NZ-OE1 3.37Å; K1073-E1076 IonicContact NZ-OE2 3.7Å; K1073-E1076 PolarHBondContact NZ-OE2 3.34Å; K1073-E1076 PolarHBondContact O-N 2.68Å; E1076-K1080 WeakPolarHBondContact O-CG 3.45Å; E1076-K1080 PolarHBondContact O-N 3.26Å; E1076-K1080 IonicContact OE2-NZ 3.97Å |
| 1077 | L | 94.3 | Very high | 93.9 | Very high | 104 Ų | 104 | 88.1 Ų | 88.1 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | -178.3 | -67.6 | 174.5 | 0 | 0 | 0 | 111.5 | K1073 V1074 A1075 K1080 L1081 | K1073-L1077 WeakPolarHBondContact O-CG 3.3Å; K1073-L1077 PolarHBondContact O-N 2.76Å; K1073-L1077 VanDerWaalsContact O-N 3.13Å; V1074-L1077 PolarHBondContact O-N 2.97Å; A1075-L1077 VanDerWaalsContact C-N 3.34Å; A1075-L1077 PolarHBondContact O-N 3.11Å; L1077-K1080 PolarHBondContact O-N 2.91Å; L1077-L1081 WeakPolarHBondContact O-CB 3.26Å; L1077-L1081 PolarHBondContact O-N 2.87Å |
| 1078 | S | 95.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 87.4 Ų | 87.4 | 37% | 0.371 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 172.6 | -176 | 0 | 0 | 0 | 0 | 111.7 | V1074 A1075 K1080 L1081 N1082 | V1074-S1078 VanDerWaalsContact O-CB 3.3Å; V1074-S1078 WeakPolarHBondContact O-CB 3.49Å; V1074-S1078 PolarHBondContact O-N 3.22Å; A1075-S1078 PolarHBondContact O-N 2.75Å; S1078-K1080 PolarHBondContact O-N 2.98Å; S1078-L1081 PolarHBondContact O-N 2.92Å; S1078-N1082 WeakPolarHBondContact O-CB 3.31Å; S1078-N1082 PolarHBondContact O-N 2.89Å; S1078-N1082 PolarHBondContact O-ND2 3.26Å; S1078-N1082 PolarHBondContact O-OD1 3.04Å |
| 1079 | N | 96.1 | Very high | 94.6 | Very high | 101 Ų | 101 | 86.6 Ų | 86.6 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.4 | -73.7 | -20.8 | 0 | 0 | 0 | 112.1 | A1075 N1082 S1083 | A1075-N1079 VanDerWaalsContact O-CB 3.28Å; A1075-N1079 WeakPolarHBondContact O-CB 3.23Å; A1075-N1079 PolarHBondContact O-N 2.74Å; A1075-N1079 PolarHBondContact O-ND2 2.68Å; N1079-N1082 PolarHBondContact O-N 3.36Å; N1079-S1083 PolarHBondContact O-N 3.42Å; N1079-S1083 PolarHBondContact O-OG 3.26Å; N1079-S1083 VanDerWaalsContact O-OG 3.09Å |
| 1080 | K | 97.8 | Very high | 95.1 | Very high | 117 Ų | 117 | 86 Ų | 86 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.1 | -75.9 | 170.1 | 179.4 | 172.1 | 0 | 112.1 | E1076 L1077 S1078 S1083 Q1084 | E1076-K1080 WeakPolarHBondContact O-CG 3.45Å; E1076-K1080 PolarHBondContact O-N 3.26Å; E1076-K1080 IonicContact OE2-NZ 3.97Å; L1077-K1080 PolarHBondContact O-N 2.91Å; S1078-K1080 PolarHBondContact O-N 2.98Å; K1080-S1083 PolarHBondContact O-N 3.19Å; K1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; K1080-Q1084 PolarHBondContact O-N 3.47Å |
| 1081 | L | 97 | Very high | 95.3 | Very high | 106 Ų | 106 | 89.2 Ų | 89.2 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 175.8 | -176.6 | 65 | 0 | 0 | 0 | 111 | L1077 S1078 S1083 Q1084 E1085 | L1077-L1081 WeakPolarHBondContact O-CB 3.26Å; L1077-L1081 PolarHBondContact O-N 2.87Å; S1078-L1081 PolarHBondContact O-N 2.92Å; L1081-S1083 PolarHBondContact O-N 2.78Å; L1081-Q1084 CarbonylContact O-C 3.51Å; L1081-Q1084 PolarHBondContact O-N 3.24Å; L1081-E1085 WeakPolarHBondContact O-CB 3.46Å; L1081-E1085 PolarHBondContact O-N 3.35Å |
| 1082 | N | 97.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 90.1 Ų | 90.1 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177.3 | -63.9 | -17.9 | 0 | 0 | 0 | 111.8 | S1078 N1079 E1085 V1086 | S1078-N1082 WeakPolarHBondContact O-CB 3.31Å; S1078-N1082 PolarHBondContact O-N 2.89Å; S1078-N1082 PolarHBondContact O-ND2 3.26Å; S1078-N1082 PolarHBondContact O-OD1 3.04Å; N1079-N1082 PolarHBondContact O-N 3.36Å; N1082-E1085 PolarHBondContact O-N 3.37Å; N1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; N1082-V1086 PolarHBondContact O-N 3.02Å |
| 1083 | S | 97.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 90.2 Ų | 90.2 | 58% | 0.58 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 173.6 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | N1079 K1080 L1081 A1087 | N1079-S1083 PolarHBondContact O-N 3.42Å; N1079-S1083 PolarHBondContact O-OG 3.26Å; N1079-S1083 VanDerWaalsContact O-OG 3.09Å; K1080-S1083 PolarHBondContact O-N 3.19Å; L1081-S1083 PolarHBondContact O-N 2.78Å; S1083-A1087 WeakPolarHBondContact O-CB 3.27Å; S1083-A1087 PolarHBondContact O-N 2.98Å |
| 1084 | Q | 97.1 | Very high | 96.3 | Very high | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.5 | -38.9 | 174.3 | -73.6 | 175.7 | -24.7 | 0 | 0 | 111.9 | K1080 L1081 A1087 M1088 | K1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; K1080-Q1084 PolarHBondContact O-N 3.47Å; L1081-Q1084 CarbonylContact O-C 3.51Å; L1081-Q1084 PolarHBondContact O-N 3.24Å; Q1084-A1087 PolarHBondContact O-N 2.87Å; Q1084-M1088 WeakPolarHBondContact O-CB 3.39Å; Q1084-M1088 WeakPolarHBondContact O-CG 3.44Å; Q1084-M1088 PolarHBondContact O-N 3.18Å |
| 1085 | E | 97.7 | Very high | 96.5 | Very high | 80 Ų | 80 | 92 Ų | 92 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.1 | -163.1 | -165.6 | 168 | 0 | 0 | 111.9 | L1081 N1082 M1088 K1089 | L1081-E1085 WeakPolarHBondContact O-CB 3.46Å; L1081-E1085 PolarHBondContact O-N 3.35Å; N1082-E1085 PolarHBondContact O-N 3.37Å; E1085-M1088 PolarHBondContact O-N 2.96Å; E1085-K1089 VanDerWaalsContact CD-NZ 3.29Å; E1085-K1089 HydrophobicContact CG-CD 4.46Å; E1085-K1089 WeakPolarHBondContact O-CB 3.36Å; E1085-K1089 WeakPolarHBondContact O-CG 3.34Å; E1085-K1089 PolarHBondContact O-N 3.46Å; E1085-K1089 WeakPolarHBondContact OE1-CE 3.45Å; E1085-K1089 IonicContact OE1-NZ 3.57Å; E1085-K1089 PolarHBondContact OE1-NZ 2.98Å; E1085-K1089 IonicContact OE2-NZ 3.33Å |
| 1086 | V | 97.4 | Very high | 96.8 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 173.7 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | N1082 K1089 H1090 | N1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; N1082-V1086 PolarHBondContact O-N 3.02Å; V1086-K1089 PolarHBondContact O-N 3.33Å; V1086-H1090 PolarHBondContact O-N 3.39Å |
| 1087 | A | 96.4 | Very high | 97 | Very high | 51 Ų | 51 | 95.7 Ų | 95.7 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1083 Q1084 H1090 L1091 | S1083-A1087 WeakPolarHBondContact O-CB 3.27Å; S1083-A1087 PolarHBondContact O-N 2.98Å; Q1084-A1087 PolarHBondContact O-N 2.87Å; A1087-H1090 PolarHBondContact O-N 3.08Å; A1087-L1091 WeakPolarHBondContact O-CG 3.18Å; A1087-L1091 PolarHBondContact O-N 3.06Å |
| 1088 | M | 96.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 96.3 Ų | 96.3 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.6 | -74 | -172 | -64 | 0 | 0 | 112.1 | Q1084 E1085 H1090 L1091 Q1092 | Q1084-M1088 WeakPolarHBondContact O-CB 3.39Å; Q1084-M1088 WeakPolarHBondContact O-CG 3.44Å; Q1084-M1088 PolarHBondContact O-N 3.18Å; E1085-M1088 PolarHBondContact O-N 2.96Å; M1088-H1090 VanDerWaalsContact C-N 3.34Å; M1088-H1090 PolarHBondContact O-N 3.1Å; M1088-L1091 PolarHBondContact O-N 3.39Å; M1088-Q1092 WeakPolarHBondContact O-CB 3.24Å; M1088-Q1092 VanDerWaalsContact O-CG 3.25Å; M1088-Q1092 WeakPolarHBondContact O-CG 3.15Å; M1088-Q1092 PolarHBondContact O-N 2.86Å |
| 1089 | K | 96.9 | Very high | 97.2 | Very high | 111 Ų | 111 | 97.3 Ų | 97.3 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 175.2 | -75 | 169.9 | -177 | 169.2 | 0 | 112.2 | E1085 V1086 Q1092 Q1093 | E1085-K1089 VanDerWaalsContact CD-NZ 3.29Å; E1085-K1089 HydrophobicContact CG-CD 4.46Å; E1085-K1089 WeakPolarHBondContact O-CB 3.36Å; E1085-K1089 WeakPolarHBondContact O-CG 3.34Å; E1085-K1089 PolarHBondContact O-N 3.46Å; E1085-K1089 WeakPolarHBondContact OE1-CE 3.45Å; E1085-K1089 IonicContact OE1-NZ 3.57Å; E1085-K1089 PolarHBondContact OE1-NZ 2.98Å; E1085-K1089 IonicContact OE2-NZ 3.33Å; V1086-K1089 PolarHBondContact O-N 3.33Å; K1089-Q1092 PolarHBondContact O-N 3.02Å; K1089-Q1093 WeakPolarHBondContact O-CB 3.41Å; K1089-Q1093 PolarHBondContact O-N 3.46Å |
| 1090 | H | 97.5 | Very high | 97.3 | Very high | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 174.7 | -176.5 | 52.5 | 0 | 0 | 0 | 112 | V1086 A1087 M1088 Q1092 Q1093 Q1094 | V1086-H1090 PolarHBondContact O-N 3.39Å; A1087-H1090 PolarHBondContact O-N 3.08Å; M1088-H1090 VanDerWaalsContact C-N 3.34Å; M1088-H1090 PolarHBondContact O-N 3.1Å; H1090-Q1092 PolarHBondContact O-N 3.22Å; H1090-Q1093 PolarHBondContact O-N 3.32Å; H1090-Q1094 PolarHBondContact NE2-NE2 2.76Å; H1090-Q1094 WeakPolarHBondContact O-CG 3.44Å; H1090-Q1094 PolarHBondContact O-N 3.06Å |
| 1091 | L | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 95.5 Ų | 95.5 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.2 | -70 | 169 | 0 | 0 | 0 | 112.2 | A1087 M1088 Q1094 L1095 | A1087-L1091 WeakPolarHBondContact O-CG 3.18Å; A1087-L1091 PolarHBondContact O-N 3.06Å; M1088-L1091 PolarHBondContact O-N 3.39Å; L1091-Q1094 PolarHBondContact O-N 2.83Å; L1091-L1095 WeakPolarHBondContact O-CB 3.49Å; L1091-L1095 VanDerWaalsContact O-CG 3.29Å; L1091-L1095 WeakPolarHBondContact O-CG 3.33Å; L1091-L1095 PolarHBondContact O-N 3.1Å |
| 1092 | Q | 96.8 | Very high | 97.3 | Very high | 125 Ų | 125 | 96.8 Ų | 96.8 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 173.2 | -75.9 | 170.5 | -11 | 0 | 0 | 111.9 | M1088 K1089 H1090 L1095 K1096 | M1088-Q1092 WeakPolarHBondContact O-CB 3.24Å; M1088-Q1092 VanDerWaalsContact O-CG 3.25Å; M1088-Q1092 WeakPolarHBondContact O-CG 3.15Å; M1088-Q1092 PolarHBondContact O-N 2.86Å; K1089-Q1092 PolarHBondContact O-N 3.02Å; H1090-Q1092 PolarHBondContact O-N 3.22Å; Q1092-L1095 PolarHBondContact O-N 3.16Å; Q1092-K1096 WeakPolarHBondContact O-CB 3.4Å; Q1092-K1096 PolarHBondContact O-N 3.02Å |
| 1093 | Q | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 98 Ų | 98 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 175.8 | 179.5 | 59.5 | 23.2 | 0 | 0 | 111.7 | K1089 H1090 L1095 K1096 E1097 | K1089-Q1093 WeakPolarHBondContact O-CB 3.41Å; K1089-Q1093 PolarHBondContact O-N 3.46Å; H1090-Q1093 PolarHBondContact O-N 3.32Å; Q1093-L1095 VanDerWaalsContact C-N 3.34Å; Q1093-L1095 PolarHBondContact O-N 3.12Å; Q1093-K1096 WeakPolarHBondContact O-CB 3.38Å; Q1093-K1096 PolarHBondContact O-N 2.71Å; Q1093-K1096 VanDerWaalsContact O-N 3.17Å; Q1093-E1097 WeakPolarHBondContact CG-OE1 3.44Å; Q1093-E1097 PolarHBondContact NE2-OE1 3.29Å; Q1093-E1097 WeakPolarHBondContact O-CG 3.05Å; Q1093-E1097 PolarHBondContact O-N 3.41Å |
| 1094 | Q | 97.8 | Very high | 97.3 | Very high | 78 Ų | 78 | 96.9 Ų | 96.9 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 173.9 | -74.1 | -178.6 | -32 | 0 | 0 | 112.3 | H1090 L1091 K1096 E1097 L1098 | H1090-Q1094 PolarHBondContact NE2-NE2 2.76Å; H1090-Q1094 WeakPolarHBondContact O-CG 3.44Å; H1090-Q1094 PolarHBondContact O-N 3.06Å; L1091-Q1094 PolarHBondContact O-N 2.83Å; Q1094-K1096 VanDerWaalsContact C-N 3.33Å; Q1094-K1096 PolarHBondContact O-N 3.08Å; Q1094-E1097 PolarHBondContact O-N 3.39Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.25Å; Q1094-L1098 VanDerWaalsContact O-CG 3.24Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.32Å; Q1094-L1098 PolarHBondContact O-N 2.7Å |
| 1095 | L | 97.4 | Very high | 97.3 | Very high | 118 Ų | 118 | 95.9 Ų | 95.9 | 62% | 0.618 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 175 | -73.6 | 169.9 | 0 | 0 | 0 | 112.2 | L1091 Q1092 Q1093 Q1099 | L1091-L1095 WeakPolarHBondContact O-CB 3.49Å; L1091-L1095 VanDerWaalsContact O-CG 3.29Å; L1091-L1095 WeakPolarHBondContact O-CG 3.33Å; L1091-L1095 PolarHBondContact O-N 3.1Å; Q1092-L1095 PolarHBondContact O-N 3.16Å; Q1093-L1095 VanDerWaalsContact C-N 3.34Å; Q1093-L1095 PolarHBondContact O-N 3.12Å; L1095-Q1099 WeakPolarHBondContact O-CB 3.44Å; L1095-Q1099 PolarHBondContact O-N 3.38Å |
| 1096 | K | 97.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 94 Ų | 94 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 174.2 | -177.1 | 174.5 | 178.6 | -69.5 | 0 | 111.5 | Q1092 Q1093 Q1094 L1098 Q1099 E1100 | Q1092-K1096 WeakPolarHBondContact O-CB 3.4Å; Q1092-K1096 PolarHBondContact O-N 3.02Å; Q1093-K1096 WeakPolarHBondContact O-CB 3.38Å; Q1093-K1096 PolarHBondContact O-N 2.71Å; Q1093-K1096 VanDerWaalsContact O-N 3.17Å; Q1094-K1096 VanDerWaalsContact C-N 3.33Å; Q1094-K1096 PolarHBondContact O-N 3.08Å; K1096-L1098 PolarHBondContact O-N 2.87Å; K1096-Q1099 PolarHBondContact O-N 2.86Å; K1096-E1100 WeakPolarHBondContact CE-OE1 3.42Å; K1096-E1100 IonicContact NZ-OE1 3.92Å; K1096-E1100 PolarHBondContact NZ-OE1 3.27Å; K1096-E1100 WeakPolarHBondContact O-CG 3.47Å; K1096-E1100 PolarHBondContact O-N 3.44Å |
| 1097 | E | 97.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 93 Ų | 93 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.9 | -72.4 | 165.8 | -175.7 | 0 | 0 | 111.9 | Q1093 Q1094 E1100 C1101 | Q1093-E1097 WeakPolarHBondContact CG-OE1 3.44Å; Q1093-E1097 PolarHBondContact NE2-OE1 3.29Å; Q1093-E1097 WeakPolarHBondContact O-CG 3.05Å; Q1093-E1097 PolarHBondContact O-N 3.41Å; Q1094-E1097 PolarHBondContact O-N 3.39Å; E1097-E1100 PolarHBondContact O-N 2.78Å; E1097-C1101 WeakPolarHBondContact O-CB 3.19Å; E1097-C1101 PolarHBondContact O-N 2.95Å; E1097-C1101 PolarHBondContact O-SG 3Å |
| 1098 | L | 96.9 | Very high | 97 | Very high | 116 Ų | 116 | 94.1 Ų | 94.1 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 174.9 | -74.5 | 169.6 | 0 | 0 | 0 | 112.7 | Q1094 K1096 K1102 | Q1094-L1098 WeakPolarHBondContact O-CB 3.25Å; Q1094-L1098 VanDerWaalsContact O-CG 3.24Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.32Å; Q1094-L1098 PolarHBondContact O-N 2.7Å; K1096-L1098 PolarHBondContact O-N 2.87Å; L1098-K1102 VanDerWaalsContact O-CB 3.26Å; L1098-K1102 WeakPolarHBondContact O-CB 3.29Å; L1098-K1102 PolarHBondContact O-N 3.06Å |
| 1099 | Q | 97.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 96.1 Ų | 96.1 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -40.8 | 175.1 | 179.3 | 62.1 | 24.2 | 0 | 0 | 111.4 | L1095 K1096 K1102 E1103 | L1095-Q1099 WeakPolarHBondContact O-CB 3.44Å; L1095-Q1099 PolarHBondContact O-N 3.38Å; K1096-Q1099 PolarHBondContact O-N 2.86Å; Q1099-K1102 WeakPolarHBondContact O-CB 3.3Å; Q1099-K1102 PolarHBondContact O-N 3.27Å; Q1099-K1102 VanDerWaalsContact OE1-NZ 3.08Å; Q1099-E1103 PolarHBondContact NE2-OE1 3.49Å; Q1099-E1103 WeakPolarHBondContact O-CG 3.48Å; Q1099-E1103 PolarHBondContact O-N 3.46Å |
| 1100 | E | 97.4 | Very high | 97.1 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 173.1 | -74.4 | 171.2 | -169.9 | 0 | 0 | 111.6 | K1096 E1097 K1102 E1103 A1104 | K1096-E1100 WeakPolarHBondContact CE-OE1 3.42Å; K1096-E1100 IonicContact NZ-OE1 3.92Å; K1096-E1100 PolarHBondContact NZ-OE1 3.27Å; K1096-E1100 WeakPolarHBondContact O-CG 3.47Å; K1096-E1100 PolarHBondContact O-N 3.44Å; E1097-E1100 PolarHBondContact O-N 2.78Å; E1100-K1102 VanDerWaalsContact C-N 3.35Å; E1100-K1102 PolarHBondContact O-N 3.46Å; E1100-E1103 PolarHBondContact O-N 3.4Å; E1100-A1104 WeakPolarHBondContact O-CB 3.2Å; E1100-A1104 PolarHBondContact O-N 2.81Å |
| 1101 | C | 96.9 | Very high | 97.1 | Very high | 85 Ų | 85 | 101.4 Ų | 101.4 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 173.1 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | E1097 A1104 L1105 | E1097-C1101 WeakPolarHBondContact O-CB 3.19Å; E1097-C1101 PolarHBondContact O-N 2.95Å; E1097-C1101 PolarHBondContact O-SG 3Å; C1101-A1104 PolarHBondContact O-N 2.79Å; C1101-L1105 VanDerWaalsContact O-CB 3.31Å; C1101-L1105 WeakPolarHBondContact O-CB 3.15Å; C1101-L1105 PolarHBondContact O-N 3.36Å |
| 1102 | K | 97.8 | Very high | 97.1 | Very high | 134 Ų | 134 | 101.5 Ų | 101.5 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -38.1 | 177 | 173.7 | -178.9 | 161.9 | -156 | 0 | 112.1 | L1098 Q1099 E1100 S1106 | L1098-K1102 VanDerWaalsContact O-CB 3.26Å; L1098-K1102 WeakPolarHBondContact O-CB 3.29Å; L1098-K1102 PolarHBondContact O-N 3.06Å; Q1099-K1102 WeakPolarHBondContact O-CB 3.3Å; Q1099-K1102 PolarHBondContact O-N 3.27Å; Q1099-K1102 VanDerWaalsContact OE1-NZ 3.08Å; E1100-K1102 VanDerWaalsContact C-N 3.35Å; E1100-K1102 PolarHBondContact O-N 3.46Å; K1102-S1106 WeakPolarHBondContact O-CB 3.27Å; K1102-S1106 PolarHBondContact O-N 3.21Å |
| 1103 | E | 97.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 99.2 Ų | 99.2 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 174.1 | -75.4 | 175.7 | -157.5 | 0 | 0 | 111.3 | Q1099 E1100 L1105 S1106 I1107 | Q1099-E1103 PolarHBondContact NE2-OE1 3.49Å; Q1099-E1103 WeakPolarHBondContact O-CG 3.48Å; Q1099-E1103 PolarHBondContact O-N 3.46Å; E1100-E1103 PolarHBondContact O-N 3.4Å; E1103-L1105 VanDerWaalsContact C-N 3.34Å; E1103-L1105 PolarHBondContact O-N 3.3Å; E1103-S1106 WeakPolarHBondContact O-CB 3.36Å; E1103-S1106 PolarHBondContact O-N 3.3Å; E1103-S1106 VanDerWaalsContact O-N 3.08Å; E1103-S1106 PolarHBondContact O-OG 3.4Å; E1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; E1103-I1107 PolarHBondContact O-N 3.09Å |
| 1104 | A | 97.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1100 C1101 S1106 I1107 S1108 | E1100-A1104 WeakPolarHBondContact O-CB 3.2Å; E1100-A1104 PolarHBondContact O-N 2.81Å; C1101-A1104 PolarHBondContact O-N 2.79Å; A1104-S1106 VanDerWaalsContact C-N 3.35Å; A1104-S1106 PolarHBondContact O-N 3.41Å; A1104-I1107 PolarHBondContact O-N 2.82Å; A1104-S1108 PolarHBondContact O-N 2.99Å |
| 1105 | L | 97.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 173.8 | -170.9 | 155.2 | 0 | 0 | 0 | 111.5 | C1101 E1103 I1107 S1108 R1109 | C1101-L1105 VanDerWaalsContact O-CB 3.31Å; C1101-L1105 WeakPolarHBondContact O-CB 3.15Å; C1101-L1105 PolarHBondContact O-N 3.36Å; E1103-L1105 VanDerWaalsContact C-N 3.34Å; E1103-L1105 PolarHBondContact O-N 3.3Å; L1105-I1107 VanDerWaalsContact C-N 3.33Å; L1105-I1107 PolarHBondContact O-N 3.4Å; L1105-S1108 PolarHBondContact O-N 2.79Å; L1105-R1109 PolarHBondContact O-N 2.83Å |
| 1106 | S | 97.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 99.5 Ų | 99.5 | 28% | 0.28 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 175.6 | 84.6 | 0 | 0 | 0 | 0 | 112.9 | K1102 E1103 A1104 R1110 | K1102-S1106 WeakPolarHBondContact O-CB 3.27Å; K1102-S1106 PolarHBondContact O-N 3.21Å; E1103-S1106 WeakPolarHBondContact O-CB 3.36Å; E1103-S1106 PolarHBondContact O-N 3.3Å; E1103-S1106 VanDerWaalsContact O-N 3.08Å; E1103-S1106 PolarHBondContact O-OG 3.4Å; A1104-S1106 VanDerWaalsContact C-N 3.35Å; A1104-S1106 PolarHBondContact O-N 3.41Å; S1106-R1110 VanDerWaalsContact O-CG 3.3Å; S1106-R1110 WeakPolarHBondContact O-CG 3.45Å; S1106-R1110 PolarHBondContact O-N 2.93Å |
| 1107 | I | 97.4 | Very high | 97.1 | Very high | 78 Ų | 78 | 99.7 Ų | 99.7 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 174.3 | -67 | 163.9 | 0 | 0 | 0 | 110 | E1103 A1104 L1105 R1110 R1111 | E1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; E1103-I1107 PolarHBondContact O-N 3.09Å; A1104-I1107 PolarHBondContact O-N 2.82Å; L1105-I1107 VanDerWaalsContact C-N 3.33Å; L1105-I1107 PolarHBondContact O-N 3.4Å; I1107-R1110 PolarHBondContact O-N 3.37Å; I1107-R1111 WeakPolarHBondContact O-CG 3.36Å; I1107-R1111 PolarHBondContact O-N 3.04Å |
| 1108 | S | 91.1 | Very high | 97.1 | Very high | 73 Ų | 73 | 100.1 Ų | 100.1 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 175.5 | -160.6 | 0 | 0 | 0 | 0 | 111.4 | A1104 L1105 R1110 R1111 E1112 | A1104-S1108 PolarHBondContact O-N 2.99Å; L1105-S1108 PolarHBondContact O-N 2.79Å; S1108-R1110 VanDerWaalsContact C-N 3.35Å; S1108-R1110 PolarHBondContact O-N 3.35Å; S1108-R1111 WeakPolarHBondContact O-CB 3.46Å; S1108-R1111 PolarHBondContact O-N 3.45Å; S1108-E1112 PolarHBondContact O-N 2.75Å |
| 1109 | R | 97.6 | Very high | 97.1 | Very high | 148 Ų | 148 | 99.6 Ų | 99.6 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.2 | -41.5 | 176.5 | -176.5 | 177.2 | -69.3 | 176 | -1.6 | 112.5 | L1105 R1111 E1112 E1113 | L1105-R1109 PolarHBondContact O-N 2.83Å; R1109-R1111 VanDerWaalsContact C-N 3.33Å; R1109-R1111 PolarHBondContact O-N 2.83Å; R1109-E1112 WeakPolarHBondContact O-CB 3.18Å; R1109-E1112 PolarHBondContact O-N 3.35Å; R1109-E1113 HydrophobicContact CG-CG 4.48Å; R1109-E1113 WeakPolarHBondContact O-CB 3.31Å; R1109-E1113 WeakPolarHBondContact O-CG 3.36Å; R1109-E1113 PolarHBondContact O-N 3Å |
| 1110 | R | 97.5 | Very high | 97 | Very high | 159 Ų | 159 | 100.1 Ų | 100.1 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 174.7 | -74.4 | 171.1 | -175.7 | 147.3 | 0.5 | 112.5 | S1106 I1107 S1108 V1114 | S1106-R1110 VanDerWaalsContact O-CG 3.3Å; S1106-R1110 WeakPolarHBondContact O-CG 3.45Å; S1106-R1110 PolarHBondContact O-N 2.93Å; I1107-R1110 PolarHBondContact O-N 3.37Å; S1108-R1110 VanDerWaalsContact C-N 3.35Å; S1108-R1110 PolarHBondContact O-N 3.35Å; R1110-V1114 VanDerWaalsContact O-CG2 3.32Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.33Å; R1110-V1114 PolarHBondContact O-N 3.16Å; R1110-V1114 VanDerWaalsContact O-N 3.11Å |
| 1111 | R | 97.8 | Very high | 97 | Very high | 171 Ų | 171 | 103.5 Ų | 103.5 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -43.7 | 173.8 | -69.9 | 171.1 | 178.9 | 175.8 | -0 | 110.9 | I1107 S1108 R1109 V1114 L1115 | I1107-R1111 WeakPolarHBondContact O-CG 3.36Å; I1107-R1111 PolarHBondContact O-N 3.04Å; S1108-R1111 WeakPolarHBondContact O-CB 3.46Å; S1108-R1111 PolarHBondContact O-N 3.45Å; R1109-R1111 VanDerWaalsContact C-N 3.33Å; R1109-R1111 PolarHBondContact O-N 2.83Å; R1111-V1114 PolarHBondContact O-N 3.36Å; R1111-L1115 WeakPolarHBondContact O-CG 3.31Å; R1111-L1115 PolarHBondContact O-N 3.28Å |
| 1112 | E | 96.7 | Very high | 97 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 175.1 | -165 | -164.7 | 158.7 | 0 | 0 | 111.3 | S1108 R1109 V1114 L1115 Q1116 | S1108-E1112 PolarHBondContact O-N 2.75Å; R1109-E1112 WeakPolarHBondContact O-CB 3.18Å; R1109-E1112 PolarHBondContact O-N 3.35Å; E1112-V1114 VanDerWaalsContact C-N 3.29Å; E1112-V1114 PolarHBondContact O-N 2.76Å; E1112-L1115 PolarHBondContact O-N 3.46Å; E1112-L1115 VanDerWaalsContact O-N 3.15Å; E1112-Q1116 WeakPolarHBondContact O-CB 3.09Å; E1112-Q1116 VanDerWaalsContact O-CG 3.29Å; E1112-Q1116 WeakPolarHBondContact O-CG 3.18Å; E1112-Q1116 PolarHBondContact O-N 2.82Å; E1112-Q1116 PolarHBondContact OE1-NE2 3.14Å |
| 1113 | E | 97.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.6 | -38.3 | 175 | -75.9 | 177 | -138.6 | 0 | 0 | 112.8 | R1109 K1117 | R1109-E1113 HydrophobicContact CG-CG 4.48Å; R1109-E1113 WeakPolarHBondContact O-CB 3.31Å; R1109-E1113 WeakPolarHBondContact O-CG 3.36Å; R1109-E1113 PolarHBondContact O-N 3Å; E1113-K1117 WeakPolarHBondContact O-CB 3.45Å; E1113-K1117 WeakPolarHBondContact O-CD 3.39Å; E1113-K1117 WeakPolarHBondContact O-CG 3.44Å; E1113-K1117 PolarHBondContact O-N 2.76Å; E1113-K1117 IonicContact OE2-NZ 2.59Å; E1113-K1117 PolarHBondContact OE2-NZ 3.32Å |
| 1114 | V | 97.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 176.3 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | R1110 R1111 E1112 K1117 Q1118 | R1110-V1114 VanDerWaalsContact O-CG2 3.32Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.33Å; R1110-V1114 PolarHBondContact O-N 3.16Å; R1110-V1114 VanDerWaalsContact O-N 3.11Å; R1111-V1114 PolarHBondContact O-N 3.36Å; E1112-V1114 VanDerWaalsContact C-N 3.29Å; E1112-V1114 PolarHBondContact O-N 2.76Å; V1114-K1117 PolarHBondContact O-N 3.11Å; V1114-Q1118 WeakPolarHBondContact O-CG 3.46Å; V1114-Q1118 PolarHBondContact O-N 3.46Å |
| 1115 | L | 97.3 | Very high | 96.6 | Very high | 107 Ų | 107 | 104.1 Ų | 104.1 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.4 | -40 | 176 | -70.8 | 168.8 | 0 | 0 | 0 | 111.9 | R1111 E1112 Q1118 L1119 | R1111-L1115 WeakPolarHBondContact O-CG 3.31Å; R1111-L1115 PolarHBondContact O-N 3.28Å; E1112-L1115 PolarHBondContact O-N 3.46Å; E1112-L1115 VanDerWaalsContact O-N 3.15Å; L1115-Q1118 PolarHBondContact O-N 3.05Å; L1115-L1119 VanDerWaalsContact O-CB 3.32Å; L1115-L1119 WeakPolarHBondContact O-CB 3.37Å; L1115-L1119 PolarHBondContact O-N 3.36Å |
| 1116 | Q | 97.2 | Very high | 96.3 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 171.5 | -72.2 | 175 | 7.7 | 0 | 0 | 110.6 | E1112 Q1118 L1119 T1120 | E1112-Q1116 WeakPolarHBondContact O-CB 3.09Å; E1112-Q1116 VanDerWaalsContact O-CG 3.29Å; E1112-Q1116 WeakPolarHBondContact O-CG 3.18Å; E1112-Q1116 PolarHBondContact O-N 2.82Å; E1112-Q1116 PolarHBondContact OE1-NE2 3.14Å; Q1116-Q1118 PolarHBondContact O-N 3.3Å; Q1116-L1119 PolarHBondContact O-N 3.37Å; Q1116-T1120 WeakPolarHBondContact O-CG2 3.4Å; Q1116-T1120 PolarHBondContact O-N 3.06Å; Q1116-T1120 PolarHBondContact O-OG1 2.81Å |
| 1117 | K | 97.5 | Very high | 96 | Very high | 110 Ų | 110 | 107.1 Ų | 107.1 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.8 | -73.3 | 159.3 | -166.4 | 159 | 0 | 111.9 | E1113 V1114 T1120 R1121 | E1113-K1117 WeakPolarHBondContact O-CB 3.45Å; E1113-K1117 WeakPolarHBondContact O-CD 3.39Å; E1113-K1117 WeakPolarHBondContact O-CG 3.44Å; E1113-K1117 PolarHBondContact O-N 2.76Å; E1113-K1117 IonicContact OE2-NZ 2.59Å; E1113-K1117 PolarHBondContact OE2-NZ 3.32Å; V1114-K1117 PolarHBondContact O-N 3.11Å; K1117-T1120 WeakPolarHBondContact CA-OG1 3.09Å; K1117-T1120 PolarHBondContact O-OG1 3.33Å; K1117-R1121 WeakPolarHBondContact O-CG 3.48Å; K1117-R1121 PolarHBondContact O-N 3.02Å; K1117-R1121 VanDerWaalsContact O-N 3.08Å |
| 1118 | Q | 97.6 | Very high | 95.6 | Very high | 99 Ų | 99 | 108.4 Ų | 108.4 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 173.8 | -74.7 | 174.3 | -10.3 | 0 | 0 | 112.1 | V1114 L1115 Q1116 T1120 R1121 L1122 | V1114-Q1118 WeakPolarHBondContact O-CG 3.46Å; V1114-Q1118 PolarHBondContact O-N 3.46Å; L1115-Q1118 PolarHBondContact O-N 3.05Å; Q1116-Q1118 PolarHBondContact O-N 3.3Å; Q1118-T1120 PolarHBondContact O-N 3.07Å; Q1118-R1121 WeakPolarHBondContact O-CB 3.47Å; Q1118-R1121 PolarHBondContact O-N 2.82Å; Q1118-R1121 VanDerWaalsContact O-N 3.17Å; Q1118-L1122 WeakPolarHBondContact O-CG 3.24Å; Q1118-L1122 PolarHBondContact O-N 2.98Å |
| 1119 | L | 96.9 | Very high | 95.4 | Very high | 105 Ų | 105 | 107.2 Ų | 107.2 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.5 | -178.6 | 136.5 | 0 | 0 | 0 | 111.8 | L1115 Q1116 R1121 L1122 L1123 | L1115-L1119 VanDerWaalsContact O-CB 3.32Å; L1115-L1119 WeakPolarHBondContact O-CB 3.37Å; L1115-L1119 PolarHBondContact O-N 3.36Å; Q1116-L1119 PolarHBondContact O-N 3.37Å; L1119-R1121 VanDerWaalsContact C-N 3.35Å; L1119-R1121 PolarHBondContact O-N 3.33Å; L1119-L1122 PolarHBondContact O-N 3.46Å; L1119-L1123 HydrophobicContact CD2-CD1 3.63Å; L1119-L1123 HydrophobicContact CD2-CG 4.43Å; L1119-L1123 HydrophobicContact CG-CD1 4.29Å; L1119-L1123 WeakPolarHBondContact O-CB 3.39Å; L1119-L1123 VanDerWaalsContact O-CG 3.27Å; L1119-L1123 WeakPolarHBondContact O-CG 3.34Å; L1119-L1123 PolarHBondContact O-N 2.61Å |
| 1120 | T | 96.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 106.2 Ų | 106.2 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -35 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | Q1116 K1117 Q1118 Q1124 | Q1116-T1120 WeakPolarHBondContact O-CG2 3.4Å; Q1116-T1120 PolarHBondContact O-N 3.06Å; Q1116-T1120 PolarHBondContact O-OG1 2.81Å; K1117-T1120 WeakPolarHBondContact CA-OG1 3.09Å; K1117-T1120 PolarHBondContact O-OG1 3.33Å; Q1118-T1120 PolarHBondContact O-N 3.07Å; T1120-Q1124 WeakPolarHBondContact O-CB 3.45Å; T1120-Q1124 PolarHBondContact O-N 3.47Å |
| 1121 | R | 97.1 | Very high | 94.1 | Very high | 166 Ų | 166 | 104.2 Ų | 104.2 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -51.4 | 173 | -73.5 | 173.2 | -176.8 | -176.9 | -1.6 | 111.1 | K1117 Q1118 L1119 L1123 Q1124 E1125 | K1117-R1121 WeakPolarHBondContact O-CG 3.48Å; K1117-R1121 PolarHBondContact O-N 3.02Å; K1117-R1121 VanDerWaalsContact O-N 3.08Å; Q1118-R1121 WeakPolarHBondContact O-CB 3.47Å; Q1118-R1121 PolarHBondContact O-N 2.82Å; Q1118-R1121 VanDerWaalsContact O-N 3.17Å; L1119-R1121 VanDerWaalsContact C-N 3.35Å; L1119-R1121 PolarHBondContact O-N 3.33Å; R1121-L1123 VanDerWaalsContact C-N 3.27Å; R1121-L1123 PolarHBondContact O-N 2.79Å; R1121-Q1124 CarbonylContact O-C 3.58Å; R1121-Q1124 WeakPolarHBondContact O-CA 3.44Å; R1121-Q1124 PolarHBondContact O-N 2.77Å; R1121-E1125 WeakPolarHBondContact O-CB 3.27Å; R1121-E1125 WeakPolarHBondContact O-CG 2.77Å; R1121-E1125 PolarHBondContact O-N 3.16Å |
| 1122 | L | 96.3 | Very high | 93.2 | Very high | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -35 | 177.8 | -69.4 | 170.7 | 0 | 0 | 0 | 112.8 | Q1118 L1119 M1126 | Q1118-L1122 WeakPolarHBondContact O-CG 3.24Å; Q1118-L1122 PolarHBondContact O-N 2.98Å; L1119-L1122 PolarHBondContact O-N 3.46Å; L1122-M1126 WeakPolarHBondContact O-CB 3.2Å; L1122-M1126 WeakPolarHBondContact O-CG 3.29Å; L1122-M1126 PolarHBondContact O-N 2.79Å |
| 1123 | L | 95.8 | Very high | 92.5 | Very high | 95 Ų | 95 | 98.7 Ų | 98.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 172.9 | -74.9 | 173.8 | 0 | 0 | 0 | 112.6 | L1119 R1121 K1127 | L1119-L1123 HydrophobicContact CD2-CD1 3.63Å; L1119-L1123 HydrophobicContact CD2-CG 4.43Å; L1119-L1123 HydrophobicContact CG-CD1 4.29Å; L1119-L1123 WeakPolarHBondContact O-CB 3.39Å; L1119-L1123 VanDerWaalsContact O-CG 3.27Å; L1119-L1123 WeakPolarHBondContact O-CG 3.34Å; L1119-L1123 PolarHBondContact O-N 2.61Å; R1121-L1123 VanDerWaalsContact C-N 3.27Å; R1121-L1123 PolarHBondContact O-N 2.79Å; L1123-K1127 WeakPolarHBondContact O-CB 3.49Å; L1123-K1127 PolarHBondContact O-N 3.3Å |
| 1124 | Q | 95.8 | Very high | 91.6 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 175.1 | -179.7 | 60.9 | 20.3 | 0 | 0 | 111.3 | T1120 R1121 M1126 K1127 E1128 | T1120-Q1124 WeakPolarHBondContact O-CB 3.45Å; T1120-Q1124 PolarHBondContact O-N 3.47Å; R1121-Q1124 CarbonylContact O-C 3.58Å; R1121-Q1124 WeakPolarHBondContact O-CA 3.44Å; R1121-Q1124 PolarHBondContact O-N 2.77Å; Q1124-M1126 VanDerWaalsContact C-N 3.34Å; Q1124-M1126 PolarHBondContact O-N 3.14Å; Q1124-K1127 CarbonylContact O-C 3.42Å; Q1124-K1127 WeakPolarHBondContact O-CA 3.2Å; Q1124-K1127 WeakPolarHBondContact O-CB 3.37Å; Q1124-K1127 PolarHBondContact O-N 3.04Å; Q1124-K1127 VanDerWaalsContact O-N 3.08Å; Q1124-E1128 WeakPolarHBondContact CG-OE1 3.36Å; Q1124-E1128 PolarHBondContact NE2-OE1 3.24Å; Q1124-E1128 WeakPolarHBondContact O-CB 3.39Å; Q1124-E1128 WeakPolarHBondContact O-CG 3.25Å; Q1124-E1128 PolarHBondContact O-N 3.14Å |
| 1125 | E | 93.9 | Very high | 90.8 | Very high | 105 Ų | 105 | 99.2 Ų | 99.2 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 172.4 | -69.9 | 162.6 | -146.1 | 0 | 0 | 111.3 | R1121 K1127 E1128 A1129 | R1121-E1125 WeakPolarHBondContact O-CB 3.27Å; R1121-E1125 WeakPolarHBondContact O-CG 2.77Å; R1121-E1125 PolarHBondContact O-N 3.16Å; E1125-K1127 VanDerWaalsContact C-N 3.31Å; E1125-K1127 PolarHBondContact O-N 2.76Å; E1125-E1128 PolarHBondContact O-N 2.93Å; E1125-A1129 WeakPolarHBondContact O-CB 3.37Å; E1125-A1129 PolarHBondContact O-N 3.47Å |
| 1126 | M | 89.6 | Confident | 90.2 | Very high | 107 Ų | 107 | 100.8 Ų | 100.8 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -33.6 | 172.9 | -81 | -93.7 | 78.7 | 0 | 0 | 113 | L1122 Q1124 K1130 | L1122-M1126 WeakPolarHBondContact O-CB 3.2Å; L1122-M1126 WeakPolarHBondContact O-CG 3.29Å; L1122-M1126 PolarHBondContact O-N 2.79Å; Q1124-M1126 VanDerWaalsContact C-N 3.34Å; Q1124-M1126 PolarHBondContact O-N 3.14Å; M1126-K1130 WeakPolarHBondContact O-CB 3.22Å; M1126-K1130 WeakPolarHBondContact O-CD 3.1Å; M1126-K1130 VanDerWaalsContact O-CG 3.23Å; M1126-K1130 WeakPolarHBondContact O-CG 3.35Å; M1126-K1130 PolarHBondContact O-N 2.8Å; M1126-K1130 VanDerWaalsContact O-N 3.16Å |
| 1127 | K | 91.5 | Very high | 89.6 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.1 | -48.8 | 175.1 | 178 | -171.3 | 164.5 | -168.8 | 0 | 110.7 | L1123 Q1124 E1125 A1129 K1130 E1131 | L1123-K1127 WeakPolarHBondContact O-CB 3.49Å; L1123-K1127 PolarHBondContact O-N 3.3Å; Q1124-K1127 CarbonylContact O-C 3.42Å; Q1124-K1127 WeakPolarHBondContact O-CA 3.2Å; Q1124-K1127 WeakPolarHBondContact O-CB 3.37Å; Q1124-K1127 PolarHBondContact O-N 3.04Å; Q1124-K1127 VanDerWaalsContact O-N 3.08Å; E1125-K1127 VanDerWaalsContact C-N 3.31Å; E1125-K1127 PolarHBondContact O-N 2.76Å; K1127-A1129 VanDerWaalsContact C-N 3.32Å; K1127-A1129 PolarHBondContact O-N 3.49Å; K1127-K1130 CarbonylContact O-C 3.59Å; K1127-K1130 WeakPolarHBondContact O-CA 3.45Å; K1127-K1130 WeakPolarHBondContact O-CB 3.32Å; K1127-K1130 PolarHBondContact O-N 3.31Å; K1127-K1130 VanDerWaalsContact O-N 3.09Å; K1127-E1131 WeakPolarHBondContact CE-OE1 3.5Å; K1127-E1131 IonicContact NZ-OE1 2.68Å; K1127-E1131 WeakPolarHBondContact O-CG 3.22Å; K1127-E1131 PolarHBondContact O-N 3.41Å |
| 1128 | E | 90.3 | Very high | 89 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 176.8 | -73.4 | 172.5 | -168.7 | 0 | 0 | 111.1 | Q1124 E1125 K1130 E1131 A1132 | Q1124-E1128 WeakPolarHBondContact CG-OE1 3.36Å; Q1124-E1128 PolarHBondContact NE2-OE1 3.24Å; Q1124-E1128 WeakPolarHBondContact O-CB 3.39Å; Q1124-E1128 WeakPolarHBondContact O-CG 3.25Å; Q1124-E1128 PolarHBondContact O-N 3.14Å; E1125-E1128 PolarHBondContact O-N 2.93Å; E1128-K1130 PolarHBondContact O-N 3.48Å; E1128-E1131 CarbonylContact O-C 3.42Å; E1128-E1131 PolarHBondContact O-N 2.96Å; E1128-A1132 WeakPolarHBondContact O-CB 3.45Å; E1128-A1132 PolarHBondContact O-N 2.85Å |
| 1129 | A | 86 | Confident | 88.6 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1125 K1127 A1132 Q1133 | E1125-A1129 WeakPolarHBondContact O-CB 3.37Å; E1125-A1129 PolarHBondContact O-N 3.47Å; K1127-A1129 VanDerWaalsContact C-N 3.32Å; K1127-A1129 PolarHBondContact O-N 3.49Å; A1129-A1132 CarbonylContact O-C 3.59Å; A1129-A1132 PolarHBondContact O-N 3.33Å; A1129-Q1133 WeakPolarHBondContact O-CG 3.26Å; A1129-Q1133 PolarHBondContact O-N 2.8Å |
| 1130 | K | 84.4 | Confident | 88.3 | Confident | 126 Ų | 126 | 97.1 Ų | 97.1 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 173.8 | -75.8 | 170.2 | -178.4 | -179.6 | 0 | 112.3 | M1126 K1127 E1128 A1132 Q1133 | M1126-K1130 WeakPolarHBondContact O-CB 3.22Å; M1126-K1130 WeakPolarHBondContact O-CD 3.1Å; M1126-K1130 VanDerWaalsContact O-CG 3.23Å; M1126-K1130 WeakPolarHBondContact O-CG 3.35Å; M1126-K1130 PolarHBondContact O-N 2.8Å; M1126-K1130 VanDerWaalsContact O-N 3.16Å; K1127-K1130 CarbonylContact O-C 3.59Å; K1127-K1130 WeakPolarHBondContact O-CA 3.45Å; K1127-K1130 WeakPolarHBondContact O-CB 3.32Å; K1127-K1130 PolarHBondContact O-N 3.31Å; K1127-K1130 VanDerWaalsContact O-N 3.09Å; E1128-K1130 PolarHBondContact O-N 3.48Å; K1130-A1132 VanDerWaalsContact C-N 3.33Å; K1130-Q1133 WeakPolarHBondContact O-CB 3.43Å; K1130-Q1133 PolarHBondContact O-N 3.32Å |
| 1131 | E | 82.5 | Confident | 87.9 | Confident | 118 Ų | 118 | 95.3 Ų | 95.3 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72 | -28.1 | 175.9 | -72.4 | 175.1 | -176.8 | 0 | 0 | 111.9 | K1127 E1128 K1138 | K1127-E1131 WeakPolarHBondContact CE-OE1 3.5Å; K1127-E1131 IonicContact NZ-OE1 2.68Å; K1127-E1131 WeakPolarHBondContact O-CG 3.22Å; K1127-E1131 PolarHBondContact O-N 3.41Å; E1128-E1131 CarbonylContact O-C 3.42Å; E1128-E1131 PolarHBondContact O-N 2.96Å; E1131-K1138 PolarHBondContact O-NZ 3.2Å |
| 1132 | A | 80.3 | Confident | 87.6 | Confident | 83 Ų | 83 | 89.5 Ų | 89.5 | 69% | 0.686 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -5.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1128 A1129 K1130 | E1128-A1132 WeakPolarHBondContact O-CB 3.45Å; E1128-A1132 PolarHBondContact O-N 2.85Å; A1129-A1132 CarbonylContact O-C 3.59Å; A1129-A1132 PolarHBondContact O-N 3.33Å; K1130-A1132 VanDerWaalsContact C-N 3.33Å |
| 1133 | Q | 80.8 | Confident | 87.5 | Confident | 73 Ų | 73 | 88.6 Ų | 88.6 | 34% | 0.341 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -53.8 | 148.9 | 176.5 | -82.2 | 173.4 | -4 | 0 | 0 | 112.4 | A1129 K1130 V1137 K1138 | A1129-Q1133 WeakPolarHBondContact O-CG 3.26Å; A1129-Q1133 PolarHBondContact O-N 2.8Å; K1130-Q1133 WeakPolarHBondContact O-CB 3.43Å; K1130-Q1133 PolarHBondContact O-N 3.32Å; Q1133-V1137 HydrophobicContact CB-CB 4.31Å; Q1133-V1137 HydrophobicContact CB-CG1 4.47Å; Q1133-V1137 HydrophobicContact CG-CG1 4.29Å; Q1133-K1138 VanDerWaalsContact O-CE 3.24Å; Q1133-K1138 WeakPolarHBondContact O-CE 3.15Å; Q1133-K1138 PolarHBondContact O-NZ 2.8Å |
| 1134 | S | 80.3 | Confident | 87.4 | Confident | 61 Ų | 61 | 89.3 Ų | 89.3 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | trans | -58.9 | 155.9 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | E1136 V1137 K1138 | S1134-E1136 PolarHBondContact O-N 2.79Å; S1134-V1137 PolarHBondContact O-N 3.39Å; S1134-V1137 PolarHBondContact OG-N 3.48Å; S1134-K1138 PolarHBondContact O-N 3.46Å | ||
| 1135 | S | 80.8 | Confident | 87.3 | Confident | 105 Ų | 105 | 93.5 Ų | 93.5 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.2 | -27.5 | 174.2 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | L1139 | S1135-L1139 WeakPolarHBondContact O-CB 3.32Å; S1135-L1139 PolarHBondContact O-N 3.04Å |
| 1136 | E | 82.8 | Confident | 87.5 | Confident | 139 Ų | 139 | 93.9 Ų | 93.9 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.2 | -48.1 | 176.9 | -174.3 | 171.4 | -152.7 | 0 | 0 | 112.5 | S1134 K1138 L1139 L1140 | S1134-E1136 PolarHBondContact O-N 2.79Å; E1136-K1138 VanDerWaalsContact C-N 3.29Å; E1136-K1138 PolarHBondContact O-N 3.3Å; E1136-L1139 WeakPolarHBondContact O-CA 3.4Å; E1136-L1139 WeakPolarHBondContact O-CB 3.41Å; E1136-L1139 PolarHBondContact O-N 3.28Å; E1136-L1139 VanDerWaalsContact O-N 3.09Å; E1136-L1140 WeakPolarHBondContact O-CG 3.46Å; E1136-L1140 PolarHBondContact O-N 3.33Å |
| 1137 | V | 85 | Confident | 87.8 | Confident | 52 Ų | 52 | 93 Ų | 93 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | Q1133 S1134 L1139 L1140 C1141 | Q1133-V1137 HydrophobicContact CB-CB 4.31Å; Q1133-V1137 HydrophobicContact CB-CG1 4.47Å; Q1133-V1137 HydrophobicContact CG-CG1 4.29Å; S1134-V1137 PolarHBondContact O-N 3.39Å; S1134-V1137 PolarHBondContact OG-N 3.48Å; V1137-L1139 VanDerWaalsContact C-N 3.29Å; V1137-L1139 PolarHBondContact O-N 3.1Å; V1137-L1140 PolarHBondContact O-N 2.86Å; V1137-C1141 PolarHBondContact O-N 2.91Å |
| 1138 | K | 85.8 | Confident | 88 | Confident | 93 Ų | 93 | 93.1 Ų | 93.1 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -32.4 | 173.7 | -72.5 | 163.5 | 176.3 | 157.8 | 0 | 112.8 | E1131 Q1133 S1134 E1136 S1142 | E1131-K1138 PolarHBondContact O-NZ 3.2Å; Q1133-K1138 VanDerWaalsContact O-CE 3.24Å; Q1133-K1138 WeakPolarHBondContact O-CE 3.15Å; Q1133-K1138 PolarHBondContact O-NZ 2.8Å; S1134-K1138 PolarHBondContact O-N 3.46Å; E1136-K1138 VanDerWaalsContact C-N 3.29Å; E1136-K1138 PolarHBondContact O-N 3.3Å; K1138-S1142 PolarHBondContact O-N 2.84Å |
| 1139 | L | 88.5 | Confident | 88.3 | Confident | 101 Ų | 101 | 90.8 Ų | 90.8 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -46.8 | 171.4 | 180 | 65.2 | 0 | 0 | 0 | 110.9 | S1135 E1136 V1137 C1141 S1142 L1143 | S1135-L1139 WeakPolarHBondContact O-CB 3.32Å; S1135-L1139 PolarHBondContact O-N 3.04Å; E1136-L1139 WeakPolarHBondContact O-CA 3.4Å; E1136-L1139 WeakPolarHBondContact O-CB 3.41Å; E1136-L1139 PolarHBondContact O-N 3.28Å; E1136-L1139 VanDerWaalsContact O-N 3.09Å; V1137-L1139 VanDerWaalsContact C-N 3.29Å; V1137-L1139 PolarHBondContact O-N 3.1Å; L1139-C1141 PolarHBondContact O-N 3.17Å; L1139-S1142 WeakPolarHBondContact O-CA 3.26Å; L1139-S1142 WeakPolarHBondContact O-CB 3.43Å; L1139-S1142 PolarHBondContact O-N 2.76Å; L1139-S1142 PolarHBondContact O-OG 3.39Å; L1139-L1143 HydrophobicContact CG-CD1 4.38Å; L1139-L1143 PolarHBondContact O-N 2.87Å |
| 1140 | L | 90.4 | Very high | 88.9 | Confident | 91 Ų | 91 | 92.7 Ų | 92.7 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.1 | -50.1 | 175.8 | -67.3 | 173.7 | 0 | 0 | 0 | 111.3 | E1136 V1137 S1142 L1143 E1144 | E1136-L1140 WeakPolarHBondContact O-CG 3.46Å; E1136-L1140 PolarHBondContact O-N 3.33Å; V1137-L1140 PolarHBondContact O-N 2.86Å; L1140-S1142 PolarHBondContact O-N 2.76Å; L1140-S1142 VanDerWaalsContact O-N 3.08Å; L1140-L1143 CarbonylContact O-C 3.52Å; L1140-L1143 WeakPolarHBondContact O-CA 3.36Å; L1140-L1143 WeakPolarHBondContact O-CB 3.38Å; L1140-L1143 PolarHBondContact O-N 2.8Å; L1140-E1144 WeakPolarHBondContact O-CG 3.24Å; L1140-E1144 PolarHBondContact O-N 3.34Å |
| 1141 | C | 88 | Confident | 89.4 | Confident | 47 Ų | 47 | 92 Ų | 92 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -8.2 | 175.4 | -63.9 | 0 | 0 | 0 | 0 | 114.5 | V1137 L1139 E1144 R1145 | V1137-C1141 PolarHBondContact O-N 2.91Å; L1139-C1141 PolarHBondContact O-N 3.17Å; C1141-E1144 WeakPolarHBondContact CA-OE2 3.47Å; C1141-E1144 PolarHBondContact SG-OE2 2.92Å; C1141-R1145 PolarHBondContact O-NE 2.76Å; C1141-R1145 PolarHBondContact O-NH2 2.91Å |
| 1142 | S | 91 | Very high | 90 | Very high | 44 Ų | 44 | 91.6 Ų | 91.6 | 31% | 0.308 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -87.4 | -34.1 | 165.9 | 82.9 | 0 | 0 | 0 | 0 | 112.3 | K1138 L1139 L1140 K1146 | K1138-S1142 PolarHBondContact O-N 2.84Å; L1139-S1142 WeakPolarHBondContact O-CA 3.26Å; L1139-S1142 WeakPolarHBondContact O-CB 3.43Å; L1139-S1142 PolarHBondContact O-N 2.76Å; L1139-S1142 PolarHBondContact O-OG 3.39Å; L1140-S1142 PolarHBondContact O-N 2.76Å; L1140-S1142 VanDerWaalsContact O-N 3.08Å; S1142-K1146 WeakPolarHBondContact O-CB 3.21Å; S1142-K1146 PolarHBondContact O-N 3.45Å |
| 1143 | L | 94.4 | Very high | 90.8 | Very high | 86 Ų | 86 | 93.2 Ų | 93.2 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 175.2 | -66.2 | 171.9 | 0 | 0 | 0 | 111.4 | L1139 L1140 R1145 K1146 I1147 | L1139-L1143 HydrophobicContact CG-CD1 4.38Å; L1139-L1143 PolarHBondContact O-N 2.87Å; L1140-L1143 CarbonylContact O-C 3.52Å; L1140-L1143 WeakPolarHBondContact O-CA 3.36Å; L1140-L1143 WeakPolarHBondContact O-CB 3.38Å; L1140-L1143 PolarHBondContact O-N 2.8Å; L1143-R1145 PolarHBondContact O-N 3.06Å; L1143-K1146 CarbonylContact O-C 3.49Å; L1143-K1146 WeakPolarHBondContact O-CA 3.41Å; L1143-K1146 WeakPolarHBondContact O-CB 3.41Å; L1143-K1146 PolarHBondContact O-N 3.45Å; L1143-I1147 VanDerWaalsContact O-CG1 3.3Å; L1143-I1147 WeakPolarHBondContact O-CG1 3.48Å; L1143-I1147 PolarHBondContact O-N 2.95Å |
| 1144 | E | 92.8 | Very high | 91.5 | Very high | 109 Ų | 109 | 94.8 Ų | 94.8 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55 | -52.6 | 173.1 | -69.3 | 170 | 157.9 | 0 | 0 | 111.3 | L1140 C1141 K1146 I1147 I1148 | L1140-E1144 WeakPolarHBondContact O-CG 3.24Å; L1140-E1144 PolarHBondContact O-N 3.34Å; C1141-E1144 WeakPolarHBondContact CA-OE2 3.47Å; C1141-E1144 PolarHBondContact SG-OE2 2.92Å; E1144-K1146 PolarHBondContact O-N 2.8Å; E1144-I1147 PolarHBondContact O-N 3.37Å; E1144-I1147 VanDerWaalsContact O-N 3.12Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; E1144-I1148 PolarHBondContact O-N 3.05Å |
| 1145 | R | 94.7 | Very high | 92.3 | Very high | 170 Ų | 170 | 96.2 Ų | 96.2 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.5 | -32.8 | 174.4 | -76.2 | -178.9 | -70.2 | 155.9 | -0.8 | 112.6 | C1141 L1143 S1149 | C1141-R1145 PolarHBondContact O-NE 2.76Å; C1141-R1145 PolarHBondContact O-NH2 2.91Å; L1143-R1145 PolarHBondContact O-N 3.06Å; R1145-S1149 WeakPolarHBondContact O-CB 3.31Å; R1145-S1149 PolarHBondContact O-N 3.38Å; R1145-S1149 VanDerWaalsContact O-N 3.08Å |
| 1146 | K | 97.3 | Very high | 93 | Very high | 113 Ų | 113 | 96.2 Ų | 96.2 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.9 | -39.5 | 175.9 | -175 | 58 | 175.2 | -176.5 | 0 | 112 | S1142 L1143 E1144 S1149 M1150 | S1142-K1146 WeakPolarHBondContact O-CB 3.21Å; S1142-K1146 PolarHBondContact O-N 3.45Å; L1143-K1146 CarbonylContact O-C 3.49Å; L1143-K1146 WeakPolarHBondContact O-CA 3.41Å; L1143-K1146 WeakPolarHBondContact O-CB 3.41Å; L1143-K1146 PolarHBondContact O-N 3.45Å; E1144-K1146 PolarHBondContact O-N 2.8Å; K1146-S1149 CarbonylContact O-C 3.55Å; K1146-S1149 WeakPolarHBondContact O-CB 3.35Å; K1146-S1149 PolarHBondContact O-N 3.27Å; K1146-M1150 WeakPolarHBondContact O-CG 3.23Å; K1146-M1150 PolarHBondContact O-N 3.33Å |
| 1147 | I | 95.6 | Very high | 93.7 | Very high | 88 Ų | 88 | 95.2 Ų | 95.2 | 45% | 0.451 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -52.5 | 176.8 | -71.3 | 162.7 | 0 | 0 | 0 | 109.9 | L1143 E1144 S1149 M1150 E1151 | L1143-I1147 VanDerWaalsContact O-CG1 3.3Å; L1143-I1147 WeakPolarHBondContact O-CG1 3.48Å; L1143-I1147 PolarHBondContact O-N 2.95Å; E1144-I1147 PolarHBondContact O-N 3.37Å; E1144-I1147 VanDerWaalsContact O-N 3.12Å; I1147-S1149 VanDerWaalsContact C-N 3.26Å; I1147-S1149 PolarHBondContact O-N 2.92Å; I1147-M1150 CarbonylContact O-C 3.58Å; I1147-M1150 VanDerWaalsContact O-CA 3.31Å; I1147-M1150 WeakPolarHBondContact O-CA 3.38Å; I1147-M1150 VanDerWaalsContact O-CB 3.31Å; I1147-M1150 WeakPolarHBondContact O-CB 3.46Å; I1147-M1150 PolarHBondContact O-N 2.78Å; I1147-E1151 HydrophobicContact CG2-CG 4.27Å; I1147-E1151 WeakPolarHBondContact CG2-OE1 3.41Å; I1147-E1151 WeakPolarHBondContact O-CG 3.46Å; I1147-E1151 PolarHBondContact O-N 3.48Å |
| 1148 | I | 96.6 | Very high | 94.2 | Very high | 104 Ų | 104 | 98 Ų | 98 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | 174.9 | -61.4 | 166.2 | 0 | 0 | 0 | 110.8 | E1144 M1150 E1151 L1152 | E1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; E1144-I1148 PolarHBondContact O-N 3.05Å; I1148-M1150 VanDerWaalsContact C-N 3.26Å; I1148-M1150 PolarHBondContact O-N 3.34Å; I1148-E1151 WeakPolarHBondContact CA-OE2 3.35Å; I1148-E1151 PolarHBondContact O-N 3.33Å; I1148-L1152 WeakPolarHBondContact O-CB 3.27Å; I1148-L1152 PolarHBondContact O-N 3.26Å |
| 1149 | S | 97.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 99 Ų | 99 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -22.3 | 174 | 179 | 0 | 0 | 0 | 0 | 113.6 | R1145 K1146 I1147 R1153 | R1145-S1149 WeakPolarHBondContact O-CB 3.31Å; R1145-S1149 PolarHBondContact O-N 3.38Å; R1145-S1149 VanDerWaalsContact O-N 3.08Å; K1146-S1149 CarbonylContact O-C 3.55Å; K1146-S1149 WeakPolarHBondContact O-CB 3.35Å; K1146-S1149 PolarHBondContact O-N 3.27Å; I1147-S1149 VanDerWaalsContact C-N 3.26Å; I1147-S1149 PolarHBondContact O-N 2.92Å; S1149-R1153 WeakPolarHBondContact O-CG 3.06Å; S1149-R1153 PolarHBondContact O-NE 2.76Å; S1149-R1153 PolarHBondContact O-NH2 2.79Å |
| 1150 | M | 96.9 | Very high | 95 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -80.6 | -49.1 | 170 | -55.3 | -126.6 | -67 | 0 | 0 | 110.5 | K1146 I1147 I1148 L1152 R1153 H1154 | K1146-M1150 WeakPolarHBondContact O-CG 3.23Å; K1146-M1150 PolarHBondContact O-N 3.33Å; I1147-M1150 CarbonylContact O-C 3.58Å; I1147-M1150 VanDerWaalsContact O-CA 3.31Å; I1147-M1150 WeakPolarHBondContact O-CA 3.38Å; I1147-M1150 VanDerWaalsContact O-CB 3.31Å; I1147-M1150 WeakPolarHBondContact O-CB 3.46Å; I1147-M1150 PolarHBondContact O-N 2.78Å; I1148-M1150 VanDerWaalsContact C-N 3.26Å; I1148-M1150 PolarHBondContact O-N 3.34Å; M1150-L1152 PolarHBondContact O-N 3.29Å; M1150-R1153 CarbonylContact O-C 3.6Å; M1150-R1153 WeakPolarHBondContact O-CA 3.37Å; M1150-R1153 PolarHBondContact O-N 3.28Å; M1150-H1154 PolarHBondContact O-CD2 3.22Å; M1150-H1154 VanDerWaalsContact O-CD2 3.32Å; M1150-H1154 PolarHBondContact O-N 3.41Å |
| 1151 | E | 95.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -54.9 | -51.1 | -179.2 | -70.1 | 165.4 | 159.5 | 0 | 0 | 111.7 | I1147 I1148 R1153 H1154 E1155 | I1147-E1151 HydrophobicContact CG2-CG 4.27Å; I1147-E1151 WeakPolarHBondContact CG2-OE1 3.41Å; I1147-E1151 WeakPolarHBondContact O-CG 3.46Å; I1147-E1151 PolarHBondContact O-N 3.48Å; I1148-E1151 WeakPolarHBondContact CA-OE2 3.35Å; I1148-E1151 PolarHBondContact O-N 3.33Å; E1151-R1153 PolarHBondContact O-N 3.08Å; E1151-H1154 CarbonylContact O-C 3.58Å; E1151-H1154 WeakPolarHBondContact O-CA 3.48Å; E1151-H1154 WeakPolarHBondContact O-CB 3.36Å; E1151-H1154 PolarHBondContact O-N 3.28Å; E1151-E1155 PolarHBondContact O-N 3.16Å |
| 1152 | L | 96.3 | Very high | 95.6 | Very high | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -28.8 | 177.4 | -171.4 | 146.2 | 0 | 0 | 0 | 112.7 | I1148 M1150 H1156 | I1148-L1152 WeakPolarHBondContact O-CB 3.27Å; I1148-L1152 PolarHBondContact O-N 3.26Å; M1150-L1152 PolarHBondContact O-N 3.29Å; L1152-H1156 WeakPolarHBondContact O-CB 3.13Å; L1152-H1156 PolarHBondContact O-N 2.83Å |
| 1153 | R | 96.8 | Very high | 95.8 | Very high | 117 Ų | 117 | 106 Ų | 106 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -84.4 | -11.3 | 171.5 | -71.2 | -175.9 | -63.4 | 131.8 | 17.1 | 113.4 | S1149 M1150 E1151 R1157 | S1149-R1153 WeakPolarHBondContact O-CG 3.06Å; S1149-R1153 PolarHBondContact O-NE 2.76Å; S1149-R1153 PolarHBondContact O-NH2 2.79Å; M1150-R1153 CarbonylContact O-C 3.6Å; M1150-R1153 WeakPolarHBondContact O-CA 3.37Å; M1150-R1153 PolarHBondContact O-N 3.28Å; E1151-R1153 PolarHBondContact O-N 3.08Å; R1153-R1157 PolarHBondContact O-NE 2.78Å; R1153-R1157 PolarHBondContact O-NH2 3.3Å; R1153-R1157 VanDerWaalsContact O-NH2 3.07Å |
| 1154 | H | 95.6 | Very high | 95.9 | Very high | 106 Ų | 106 | 105.8 Ų | 105.8 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83 | -50.3 | 166.4 | -89.6 | -92.4 | 0 | 0 | 0 | 109.2 | M1150 E1151 H1156 R1157 E1158 | M1150-H1154 PolarHBondContact O-CD2 3.22Å; M1150-H1154 VanDerWaalsContact O-CD2 3.32Å; M1150-H1154 PolarHBondContact O-N 3.41Å; E1151-H1154 CarbonylContact O-C 3.58Å; E1151-H1154 WeakPolarHBondContact O-CA 3.48Å; E1151-H1154 WeakPolarHBondContact O-CB 3.36Å; E1151-H1154 PolarHBondContact O-N 3.28Å; H1154-H1156 VanDerWaalsContact C-N 3.33Å; H1154-H1156 PolarHBondContact O-N 2.84Å; H1154-R1157 PolarHBondContact CD2-NH2 3.44Å; H1154-R1157 PolarHBondContact CE1-NH2 2.86Å; H1154-R1157 VanDerWaalsContact CG-NH2 3.29Å; H1154-R1157 PolarHBondContact ND1-NH2 2.92Å; H1154-R1157 PolarHBondContact NE2-NH2 3.19Å; H1154-R1157 CarbonylContact O-C 3.54Å; H1154-R1157 PolarHBondContact O-N 3.42Å; H1154-R1157 VanDerWaalsContact O-N 3.11Å; H1154-E1158 WeakPolarHBondContact O-CB 3.38Å; H1154-E1158 PolarHBondContact O-N 2.84Å |
| 1155 | E | 96.2 | Very high | 96 | Very high | 91 Ų | 91 | 104.2 Ų | 104.2 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.6 | -43.8 | 175.3 | -169.8 | -163.8 | 169.9 | 0 | 0 | 112.4 | E1151 E1158 K1159 | E1151-E1155 PolarHBondContact O-N 3.16Å; E1155-E1158 PolarHBondContact O-N 2.9Å; E1155-K1159 WeakPolarHBondContact O-CG 3.39Å; E1155-K1159 PolarHBondContact O-N 3.22Å; E1155-K1159 WeakPolarHBondContact OE1-CE 3.25Å; E1155-K1159 IonicContact OE1-NZ 3.16Å; E1155-K1159 PolarHBondContact OE1-NZ 3.32Å |
| 1156 | H | 96 | Very high | 95.9 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 175.6 | -177.5 | -6.5 | 0 | 0 | 0 | 112.3 | L1152 H1154 E1158 K1159 E1160 | L1152-H1156 WeakPolarHBondContact O-CB 3.13Å; L1152-H1156 PolarHBondContact O-N 2.83Å; H1154-H1156 VanDerWaalsContact C-N 3.33Å; H1154-H1156 PolarHBondContact O-N 2.84Å; H1156-E1158 VanDerWaalsContact C-N 3.3Å; H1156-E1158 PolarHBondContact O-N 2.86Å; H1156-K1159 PolarHBondContact O-N 2.83Å; H1156-E1160 VanDerWaalsContact CE1-CD 3.48Å; H1156-E1160 IonicContact CE1-OE1 2.66Å; H1156-E1160 PolarHBondContact CE1-OE1 2.83Å; H1156-E1160 IonicContact ND1-OE1 3.16Å; H1156-E1160 IonicContact ND1-OE2 2.66Å; H1156-E1160 IonicContact NE2-OE1 3.75Å; H1156-E1160 WeakPolarHBondContact O-CG 3.28Å; H1156-E1160 PolarHBondContact O-N 2.85Å |
| 1157 | R | 97.1 | Very high | 95.8 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 45% | 0.445 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 177 | -81.4 | 179.2 | -68.2 | 148.2 | 6.4 | 112.3 | R1153 H1154 E1160 L1161 | R1153-R1157 PolarHBondContact O-NE 2.78Å; R1153-R1157 PolarHBondContact O-NH2 3.3Å; R1153-R1157 VanDerWaalsContact O-NH2 3.07Å; H1154-R1157 PolarHBondContact CD2-NH2 3.44Å; H1154-R1157 PolarHBondContact CE1-NH2 2.86Å; H1154-R1157 VanDerWaalsContact CG-NH2 3.29Å; H1154-R1157 PolarHBondContact ND1-NH2 2.92Å; H1154-R1157 PolarHBondContact NE2-NH2 3.19Å; H1154-R1157 CarbonylContact O-C 3.54Å; H1154-R1157 PolarHBondContact O-N 3.42Å; H1154-R1157 VanDerWaalsContact O-N 3.11Å; R1157-E1160 WeakPolarHBondContact CA-OE2 3.34Å; R1157-E1160 PolarHBondContact O-N 2.76Å; R1157-L1161 WeakPolarHBondContact O-CB 3.36Å; R1157-L1161 VanDerWaalsContact O-CG 3.24Å; R1157-L1161 WeakPolarHBondContact O-CG 3.32Å; R1157-L1161 PolarHBondContact O-N 3.5Å |
| 1158 | E | 94.5 | Very high | 95.7 | Very high | 111 Ų | 111 | 97 Ų | 97 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.3 | -163.7 | -175.8 | 156 | 0 | 0 | 110.7 | H1154 E1155 H1156 L1161 Q1162 | H1154-E1158 WeakPolarHBondContact O-CB 3.38Å; H1154-E1158 PolarHBondContact O-N 2.84Å; E1155-E1158 PolarHBondContact O-N 2.9Å; H1156-E1158 VanDerWaalsContact C-N 3.3Å; H1156-E1158 PolarHBondContact O-N 2.86Å; E1158-L1161 PolarHBondContact O-N 2.91Å; E1158-Q1162 WeakPolarHBondContact O-CB 3.4Å; E1158-Q1162 VanDerWaalsContact O-CG 3.23Å; E1158-Q1162 WeakPolarHBondContact O-CG 3.5Å; E1158-Q1162 PolarHBondContact O-N 2.92Å; E1158-Q1162 PolarHBondContact OE1-NE2 3.37Å |
| 1159 | K | 94.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 98.6 Ų | 98.6 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.2 | -70.4 | 169.5 | -174.6 | 171.7 | 0 | 112.4 | E1155 H1156 Q1162 Q1163 | E1155-K1159 WeakPolarHBondContact O-CG 3.39Å; E1155-K1159 PolarHBondContact O-N 3.22Å; E1155-K1159 WeakPolarHBondContact OE1-CE 3.25Å; E1155-K1159 IonicContact OE1-NZ 3.16Å; E1155-K1159 PolarHBondContact OE1-NZ 3.32Å; H1156-K1159 PolarHBondContact O-N 2.83Å; K1159-Q1162 PolarHBondContact O-N 3.3Å; K1159-Q1163 WeakPolarHBondContact O-CB 3.25Å; K1159-Q1163 PolarHBondContact O-N 2.85Å |
| 1160 | E | 96.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.2 | -69.8 | 172.9 | 143.7 | 0 | 0 | 111.7 | H1156 R1157 Q1163 V1164 | H1156-E1160 VanDerWaalsContact CE1-CD 3.48Å; H1156-E1160 IonicContact CE1-OE1 2.66Å; H1156-E1160 PolarHBondContact CE1-OE1 2.83Å; H1156-E1160 IonicContact ND1-OE1 3.16Å; H1156-E1160 IonicContact ND1-OE2 2.66Å; H1156-E1160 IonicContact NE2-OE1 3.75Å; H1156-E1160 WeakPolarHBondContact O-CG 3.28Å; H1156-E1160 PolarHBondContact O-N 2.85Å; R1157-E1160 WeakPolarHBondContact CA-OE2 3.34Å; R1157-E1160 PolarHBondContact O-N 2.76Å; E1160-Q1163 PolarHBondContact O-N 2.69Å; E1160-V1164 WeakPolarHBondContact O-CG2 3.39Å; E1160-V1164 PolarHBondContact O-N 2.92Å |
| 1161 | L | 96.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 177.6 | -72.2 | 168.6 | 0 | 0 | 0 | 112.3 | R1157 E1158 Q1163 V1164 V1165 | R1157-L1161 WeakPolarHBondContact O-CB 3.36Å; R1157-L1161 VanDerWaalsContact O-CG 3.24Å; R1157-L1161 WeakPolarHBondContact O-CG 3.32Å; R1157-L1161 PolarHBondContact O-N 3.5Å; E1158-L1161 PolarHBondContact O-N 2.91Å; L1161-Q1163 VanDerWaalsContact C-N 3.32Å; L1161-Q1163 PolarHBondContact O-N 3.08Å; L1161-V1164 PolarHBondContact O-N 2.94Å; L1161-V1165 WeakPolarHBondContact O-CB 3.34Å; L1161-V1165 VanDerWaalsContact O-CG2 3.26Å; L1161-V1165 WeakPolarHBondContact O-CG2 3.46Å; L1161-V1165 PolarHBondContact O-N 2.95Å |
| 1162 | Q | 95 | Very high | 94.8 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 174.3 | -73.4 | 173.2 | 10.6 | 0 | 0 | 111.2 | E1158 K1159 A1166 | E1158-Q1162 WeakPolarHBondContact O-CB 3.4Å; E1158-Q1162 VanDerWaalsContact O-CG 3.23Å; E1158-Q1162 WeakPolarHBondContact O-CG 3.5Å; E1158-Q1162 PolarHBondContact O-N 2.92Å; E1158-Q1162 PolarHBondContact OE1-NE2 3.37Å; K1159-Q1162 PolarHBondContact O-N 3.3Å; Q1162-A1166 WeakPolarHBondContact O-CB 3.45Å; Q1162-A1166 PolarHBondContact O-N 3.11Å |
| 1163 | Q | 95.4 | Very high | 94.7 | Very high | 114 Ų | 114 | 96.7 Ų | 96.7 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -51.8 | 173.7 | 178.1 | 175.2 | -11.4 | 0 | 0 | 111.6 | K1159 E1160 L1161 V1165 A1166 E1167 | K1159-Q1163 WeakPolarHBondContact O-CB 3.25Å; K1159-Q1163 PolarHBondContact O-N 2.85Å; E1160-Q1163 PolarHBondContact O-N 2.69Å; L1161-Q1163 VanDerWaalsContact C-N 3.32Å; L1161-Q1163 PolarHBondContact O-N 3.08Å; Q1163-V1165 VanDerWaalsContact C-N 3.27Å; Q1163-V1165 PolarHBondContact O-N 3.37Å; Q1163-A1166 PolarHBondContact O-N 2.79Å; Q1163-A1166 VanDerWaalsContact O-N 3.08Å; Q1163-E1167 HydrophobicContact CG-CG 4.31Å; Q1163-E1167 VanDerWaalsContact CG-OE1 3.3Å; Q1163-E1167 WeakPolarHBondContact CG-OE1 3.22Å; Q1163-E1167 PolarHBondContact NE2-OE1 3.18Å; Q1163-E1167 WeakPolarHBondContact O-CB 3.33Å; Q1163-E1167 WeakPolarHBondContact O-CG 3.21Å; Q1163-E1167 PolarHBondContact O-N 2.9Å |
| 1164 | V | 96.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 93 Ų | 93 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | E1160 L1161 T1168 | E1160-V1164 WeakPolarHBondContact O-CG2 3.39Å; E1160-V1164 PolarHBondContact O-N 2.92Å; L1161-V1164 PolarHBondContact O-N 2.94Å; V1164-T1168 WeakPolarHBondContact O-CB 3.26Å; V1164-T1168 PolarHBondContact O-N 3.13Å; V1164-T1168 PolarHBondContact O-OG1 2.87Å |
| 1165 | V | 95 | Very high | 94.3 | Very high | 77 Ų | 77 | 93 Ų | 93 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 174.5 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | L1161 Q1163 T1168 F1169 | L1161-V1165 WeakPolarHBondContact O-CB 3.34Å; L1161-V1165 VanDerWaalsContact O-CG2 3.26Å; L1161-V1165 WeakPolarHBondContact O-CG2 3.46Å; L1161-V1165 PolarHBondContact O-N 2.95Å; Q1163-V1165 VanDerWaalsContact C-N 3.27Å; Q1163-V1165 PolarHBondContact O-N 3.37Å; V1165-T1168 PolarHBondContact O-N 3.06Å; V1165-F1169 HydrophobicContact CG1-CD2 3.67Å; V1165-F1169 HydrophobicContact CG1-CE2 3.52Å; V1165-F1169 VanDerWaalsContact O-CD2 3.23Å; V1165-F1169 WeakPolarHBondContact O-CD2 3.5Å; V1165-F1169 PolarHBondContact O-N 2.94Å |
| 1166 | A | 94 | Very high | 94.2 | Very high | 44 Ų | 44 | 94 Ų | 94 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q1162 Q1163 Q1170 | Q1162-A1166 WeakPolarHBondContact O-CB 3.45Å; Q1162-A1166 PolarHBondContact O-N 3.11Å; Q1163-A1166 PolarHBondContact O-N 2.79Å; Q1163-A1166 VanDerWaalsContact O-N 3.08Å; A1166-Q1170 WeakPolarHBondContact O-CB 3.23Å; A1166-Q1170 WeakPolarHBondContact O-CG 3.48Å; A1166-Q1170 PolarHBondContact O-N 2.98Å; A1166-Q1170 PolarHBondContact O-NE2 3.23Å |
| 1167 | E | 94.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 91 Ų | 91 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 172.8 | -72.6 | 172.6 | -180 | 0 | 0 | 110.9 | Q1163 F1169 Q1170 M1171 | Q1163-E1167 HydrophobicContact CG-CG 4.31Å; Q1163-E1167 VanDerWaalsContact CG-OE1 3.3Å; Q1163-E1167 WeakPolarHBondContact CG-OE1 3.22Å; Q1163-E1167 PolarHBondContact NE2-OE1 3.18Å; Q1163-E1167 WeakPolarHBondContact O-CB 3.33Å; Q1163-E1167 WeakPolarHBondContact O-CG 3.21Å; Q1163-E1167 PolarHBondContact O-N 2.9Å; E1167-F1169 VanDerWaalsContact C-N 3.35Å; E1167-F1169 PolarHBondContact O-N 2.94Å; E1167-Q1170 PolarHBondContact O-N 3.24Å; E1167-M1171 WeakPolarHBondContact O-CG 3.5Å; E1167-M1171 PolarHBondContact O-N 2.97Å |
| 1168 | T | 94.3 | Very high | 93.9 | Very high | 84 Ų | 84 | 88.4 Ų | 88.4 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | V1164 V1165 S1172 | V1164-T1168 WeakPolarHBondContact O-CB 3.26Å; V1164-T1168 PolarHBondContact O-N 3.13Å; V1164-T1168 PolarHBondContact O-OG1 2.87Å; V1165-T1168 PolarHBondContact O-N 3.06Å; T1168-S1172 VanDerWaalsContact O-CB 3.25Å; T1168-S1172 WeakPolarHBondContact O-CB 3.43Å; T1168-S1172 PolarHBondContact O-N 3.41Å |
| 1169 | F | 92.8 | Very high | 93.9 | Very high | 138 Ų | 138 | 86.1 Ų | 86.1 | 61% | 0.605 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 174.4 | -82.4 | -59.9 | 0 | 0 | 0 | 112.7 | V1165 E1167 T1173 | V1165-F1169 HydrophobicContact CG1-CD2 3.67Å; V1165-F1169 HydrophobicContact CG1-CE2 3.52Å; V1165-F1169 VanDerWaalsContact O-CD2 3.23Å; V1165-F1169 WeakPolarHBondContact O-CD2 3.5Å; V1165-F1169 PolarHBondContact O-N 2.94Å; E1167-F1169 VanDerWaalsContact C-N 3.35Å; E1167-F1169 PolarHBondContact O-N 2.94Å; F1169-T1173 WeakPolarHBondContact O-CB 3.25Å; F1169-T1173 VanDerWaalsContact O-CG2 3.25Å; F1169-T1173 WeakPolarHBondContact O-CG2 3.36Å; F1169-T1173 PolarHBondContact O-N 3.1Å; F1169-T1173 PolarHBondContact O-OG1 3.33Å |
| 1170 | Q | 92.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.5 | -78.4 | 168.4 | 98.2 | 0 | 0 | 111.8 | A1166 E1167 T1173 A1174 | A1166-Q1170 WeakPolarHBondContact O-CB 3.23Å; A1166-Q1170 WeakPolarHBondContact O-CG 3.48Å; A1166-Q1170 PolarHBondContact O-N 2.98Å; A1166-Q1170 PolarHBondContact O-NE2 3.23Å; E1167-Q1170 PolarHBondContact O-N 3.24Å; Q1170-T1173 PolarHBondContact O-OG1 2.72Å; Q1170-A1174 WeakPolarHBondContact O-CB 3.23Å; Q1170-A1174 PolarHBondContact O-N 3.42Å |
| 1171 | M | 91.4 | Very high | 93.9 | Very high | 128 Ų | 128 | 82.5 Ų | 82.5 | 63% | 0.631 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.9 | -57.1 | 175 | -70.2 | -179.4 | 65.1 | 0 | 0 | 111.9 | E1167 T1173 A1174 D1175 | E1167-M1171 WeakPolarHBondContact O-CG 3.5Å; E1167-M1171 PolarHBondContact O-N 2.97Å; M1171-T1173 VanDerWaalsContact C-N 3.27Å; M1171-T1173 PolarHBondContact O-N 2.91Å; M1171-A1174 WeakPolarHBondContact O-CA 3.49Å; M1171-A1174 WeakPolarHBondContact O-CB 3.22Å; M1171-A1174 PolarHBondContact O-N 2.91Å; M1171-D1175 PolarHBondContact O-N 3.33Å |
| 1172 | S | 91.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 83.7 Ų | 83.7 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.2 | -42 | -178.7 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | T1168 L1176 | T1168-S1172 VanDerWaalsContact O-CB 3.25Å; T1168-S1172 WeakPolarHBondContact O-CB 3.43Å; T1168-S1172 PolarHBondContact O-N 3.41Å; S1172-L1176 WeakPolarHBondContact O-CB 3.25Å; S1172-L1176 PolarHBondContact O-N 2.99Å; S1172-L1176 VanDerWaalsContact O-N 3.1Å |
| 1173 | T | 92.2 | Very high | 93.9 | Very high | 41 Ų | 41 | 85.3 Ų | 85.3 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.4 | -30.2 | 177.1 | 59.8 | 0 | 0 | 0 | 0 | 113 | K176 F1169 Q1170 M1171 Q1177 | K176-T1173 VanDerWaalsContact CE-C 3.44Å; K176-T1173 WeakPolarHBondContact CE-O 3.33Å; K176-T1173 WeakPolarHBondContact CE-OG1 3.14Å; K176-T1173 PolarHBondContact NZ-O 2.72Å; K176-T1173 PolarHBondContact NZ-OG1 3.43Å; F1169-T1173 WeakPolarHBondContact O-CB 3.25Å; F1169-T1173 VanDerWaalsContact O-CG2 3.25Å; F1169-T1173 WeakPolarHBondContact O-CG2 3.36Å; F1169-T1173 PolarHBondContact O-N 3.1Å; F1169-T1173 PolarHBondContact O-OG1 3.33Å; Q1170-T1173 PolarHBondContact O-OG1 2.72Å; M1171-T1173 VanDerWaalsContact C-N 3.27Å; M1171-T1173 PolarHBondContact O-N 2.91Å; T1173-Q1177 VanDerWaalsContact O-CB 3.23Å; T1173-Q1177 WeakPolarHBondContact O-CB 3.48Å; T1173-Q1177 PolarHBondContact O-N 2.82Å |
| 1174 | A | 92.6 | Very high | 94 | Very high | 41 Ų | 41 | 86.8 Ų | 86.8 | 34% | 0.339 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1170 M1171 Q1177 S1178 | Q1170-A1174 WeakPolarHBondContact O-CB 3.23Å; Q1170-A1174 PolarHBondContact O-N 3.42Å; M1171-A1174 WeakPolarHBondContact O-CA 3.49Å; M1171-A1174 WeakPolarHBondContact O-CB 3.22Å; M1171-A1174 PolarHBondContact O-N 2.91Å; A1174-Q1177 PolarHBondContact O-N 2.91Å; A1174-S1178 PolarHBondContact O-N 2.68Å |
| 1175 | D | 92.2 | Very high | 94 | Very high | 104 Ų | 104 | 89.3 Ų | 89.3 | 56% | 0.556 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.1 | -51.5 | 172.6 | -67.5 | -30 | 0 | 0 | 0 | 110.2 | M1171 Q1177 S1178 E1179 | M1171-D1175 PolarHBondContact O-N 3.33Å; D1175-Q1177 VanDerWaalsContact C-N 3.32Å; D1175-Q1177 PolarHBondContact O-N 3.45Å; D1175-S1178 PolarHBondContact O-N 2.75Å; D1175-S1178 VanDerWaalsContact O-N 3.15Å; D1175-S1178 PolarHBondContact O-OG 2.97Å; D1175-E1179 PolarHBondContact O-N 3.35Å |
| 1176 | L | 93.5 | Very high | 94.1 | Very high | 112 Ų | 112 | 89.7 Ų | 89.7 | 59% | 0.586 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56.9 | -42.1 | 175.3 | -179.3 | 64.4 | 0 | 0 | 0 | 112.7 | S1172 E1179 V1180 | S1172-L1176 WeakPolarHBondContact O-CB 3.25Å; S1172-L1176 PolarHBondContact O-N 2.99Å; S1172-L1176 VanDerWaalsContact O-N 3.1Å; L1176-E1179 PolarHBondContact O-N 3.13Å; L1176-V1180 HydrophobicContact CD1-CG2 4.43Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.43Å; L1176-V1180 PolarHBondContact O-N 2.96Å |
| 1177 | Q | 93.7 | Very high | 94.1 | Very high | 42 Ų | 42 | 90 Ų | 90 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.7 | -178.3 | 179.8 | 16.7 | 0 | 0 | 111.4 | I175 T1173 A1174 D1175 E1179 V1180 E1181 | I175-Q1177 HydrophobicContact CD1-CG 4.03Å; I175-Q1177 HydrophobicContact CG1-CB 4.45Å; I175-Q1177 HydrophobicContact CG1-CG 4.09Å; I175-Q1177 HydrophobicContact CG2-CG 4.18Å; T1173-Q1177 VanDerWaalsContact O-CB 3.23Å; T1173-Q1177 WeakPolarHBondContact O-CB 3.48Å; T1173-Q1177 PolarHBondContact O-N 2.82Å; A1174-Q1177 PolarHBondContact O-N 2.91Å; D1175-Q1177 VanDerWaalsContact C-N 3.32Å; D1175-Q1177 PolarHBondContact O-N 3.45Å; Q1177-E1179 VanDerWaalsContact C-N 3.31Å; Q1177-E1179 PolarHBondContact O-N 2.7Å; Q1177-V1180 PolarHBondContact O-N 2.98Å; Q1177-E1181 WeakPolarHBondContact O-CG 3.37Å; Q1177-E1181 PolarHBondContact O-N 3.36Å |
| 1178 | S | 93.7 | Very high | 94.1 | Very high | 64 Ų | 64 | 89.9 Ų | 89.9 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.9 | 80.5 | 0 | 0 | 0 | 0 | 112.6 | A1174 D1175 E1181 R1182 | A1174-S1178 PolarHBondContact O-N 2.68Å; D1175-S1178 PolarHBondContact O-N 2.75Å; D1175-S1178 VanDerWaalsContact O-N 3.15Å; D1175-S1178 PolarHBondContact O-OG 2.97Å; S1178-E1181 PolarHBondContact O-N 3.15Å; S1178-R1182 PolarHBondContact O-N 3.47Å |
| 1179 | E | 94.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 178.4 | -177.7 | 61.9 | -175.7 | 0 | 0 | 111.4 | D1175 L1176 Q1177 E1181 R1182 W1183 | D1175-E1179 PolarHBondContact O-N 3.35Å; L1176-E1179 PolarHBondContact O-N 3.13Å; Q1177-E1179 VanDerWaalsContact C-N 3.31Å; Q1177-E1179 PolarHBondContact O-N 2.7Å; E1179-E1181 VanDerWaalsContact C-N 3.3Å; E1179-E1181 PolarHBondContact O-N 2.71Å; E1179-R1182 VanDerWaalsContact CD-NH2 3.32Å; E1179-R1182 WeakPolarHBondContact O-CA 3.44Å; E1179-R1182 VanDerWaalsContact O-CB 3.27Å; E1179-R1182 WeakPolarHBondContact O-CB 3.26Å; E1179-R1182 PolarHBondContact O-N 3.16Å; E1179-R1182 IonicContact OE1-CZ 2.75Å; E1179-R1182 IonicContact OE1-NE 3.21Å; E1179-R1182 IonicContact OE1-NH2 2.65Å; E1179-R1182 PolarHBondContact OE1-NH2 3.41Å; E1179-R1182 IonicContact OE2-CZ 2.72Å; E1179-R1182 VanDerWaalsContact OE2-CZ 3.27Å; E1179-R1182 IonicContact OE2-NE 3.99Å; E1179-R1182 PolarHBondContact OE2-NE 2.94Å; E1179-R1182 IonicContact OE2-NH2 3.7Å; E1179-R1182 PolarHBondContact OE2-NH2 2.88Å; E1179-R1182 VanDerWaalsContact OE2-NH2 3.13Å; E1179-W1183 PolarHBondContact O-N 2.74Å; E1179-W1183 PolarHBondContact OE1-NE1 2.94Å |
| 1180 | V | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 87.3 Ų | 87.3 | 35% | 0.345 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 172.5 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | I175 L1176 Q1177 R1182 R1184 | I175-V1180 HydrophobicContact CD1-CB 3.89Å; I175-V1180 HydrophobicContact CD1-CG1 3.55Å; L1176-V1180 HydrophobicContact CD1-CG2 4.43Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.43Å; L1176-V1180 PolarHBondContact O-N 2.96Å; Q1177-V1180 PolarHBondContact O-N 2.98Å; V1180-R1182 VanDerWaalsContact C-N 3.35Å; V1180-R1184 VanDerWaalsContact O-CB 3.24Å; V1180-R1184 WeakPolarHBondContact O-CB 3.27Å; V1180-R1184 PolarHBondContact O-N 3.02Å |
| 1181 | E | 95.3 | Very high | 94.5 | Very high | 74 Ų | 74 | 87.8 Ų | 87.8 | 35% | 0.346 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 170.4 | -72.3 | -170.6 | 174.4 | 0 | 0 | 112.8 | Q1177 S1178 E1179 R1184 R1185 | Q1177-E1181 WeakPolarHBondContact O-CG 3.37Å; Q1177-E1181 PolarHBondContact O-N 3.36Å; S1178-E1181 PolarHBondContact O-N 3.15Å; E1179-E1181 VanDerWaalsContact C-N 3.3Å; E1179-E1181 PolarHBondContact O-N 2.71Å; E1181-R1184 PolarHBondContact O-N 3.4Å; E1181-R1185 VanDerWaalsContact CB-NH1 3.3Å; E1181-R1185 VanDerWaalsContact O-CG 3.26Å; E1181-R1185 WeakPolarHBondContact O-CG 3.37Å; E1181-R1185 PolarHBondContact O-N 2.94Å; E1181-R1185 IonicContact OE2-CZ 3.36Å; E1181-R1185 IonicContact OE2-NH1 2.68Å; E1181-R1185 PolarHBondContact OE2-NH1 3.41Å; E1181-R1185 VanDerWaalsContact OE2-NH1 3.16Å; E1181-R1185 IonicContact OE2-NH2 3.17Å; E1181-R1185 PolarHBondContact OE2-NH2 3.42Å |
| 1182 | R | 96.4 | Very high | 94.7 | Very high | 141 Ų | 141 | 88.6 Ų | 88.6 | 53% | 0.532 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 175.8 | -169.6 | 173.3 | 74.2 | 122.3 | 1 | 110.9 | S1178 E1179 V1180 R1185 L1186 | S1178-R1182 PolarHBondContact O-N 3.47Å; E1179-R1182 VanDerWaalsContact CD-NH2 3.32Å; E1179-R1182 WeakPolarHBondContact O-CA 3.44Å; E1179-R1182 VanDerWaalsContact O-CB 3.27Å; E1179-R1182 WeakPolarHBondContact O-CB 3.26Å; E1179-R1182 PolarHBondContact O-N 3.16Å; E1179-R1182 IonicContact OE1-CZ 2.75Å; E1179-R1182 IonicContact OE1-NE 3.21Å; E1179-R1182 IonicContact OE1-NH2 2.65Å; E1179-R1182 PolarHBondContact OE1-NH2 3.41Å; E1179-R1182 IonicContact OE2-CZ 2.72Å; E1179-R1182 VanDerWaalsContact OE2-CZ 3.27Å; E1179-R1182 IonicContact OE2-NE 3.99Å; E1179-R1182 PolarHBondContact OE2-NE 2.94Å; E1179-R1182 IonicContact OE2-NH2 3.7Å; E1179-R1182 PolarHBondContact OE2-NH2 2.88Å; E1179-R1182 VanDerWaalsContact OE2-NH2 3.13Å; V1180-R1182 VanDerWaalsContact C-N 3.35Å; R1182-R1185 PolarHBondContact O-N 3.45Å; R1182-L1186 PolarHBondContact O-N 3.04Å; R1182-L1186 VanDerWaalsContact O-N 3.1Å |
| 1183 | W | 96.4 | Very high | 94.9 | Very high | 142 Ų | 142 | 89.1 Ų | 89.1 | 54% | 0.538 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 174.6 | -68.3 | 109.7 | 0 | 0 | 0 | 112.6 | E1179 R1185 L1186 A1187 | E1179-W1183 PolarHBondContact O-N 2.74Å; E1179-W1183 PolarHBondContact OE1-NE1 2.94Å; W1183-R1185 VanDerWaalsContact C-N 3.34Å; W1183-R1185 PolarHBondContact O-N 3.26Å; W1183-L1186 HydrophobicContact CE3-CD2 3.91Å; W1183-L1186 HydrophobicContact CZ3-CD2 3.72Å; W1183-L1186 PolarHBondContact O-N 2.85Å; W1183-A1187 WeakPolarHBondContact O-CB 3.24Å; W1183-A1187 PolarHBondContact O-N 2.66Å |
| 1184 | R | 96.4 | Very high | 95 | Very high | 144 Ų | 144 | 91.5 Ų | 91.5 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.4 | -174.8 | -179.6 | -65.7 | -171.2 | -1.3 | 112.2 | V1180 E1181 Q1188 | V1180-R1184 VanDerWaalsContact O-CB 3.24Å; V1180-R1184 WeakPolarHBondContact O-CB 3.27Å; V1180-R1184 PolarHBondContact O-N 3.02Å; E1181-R1184 PolarHBondContact O-N 3.4Å; R1184-Q1188 VanDerWaalsContact O-CG 3.29Å; R1184-Q1188 WeakPolarHBondContact O-CG 3.43Å; R1184-Q1188 PolarHBondContact O-N 3.1Å |
| 1185 | R | 96 | Very high | 95.1 | Very high | 133 Ų | 133 | 93.6 Ų | 93.6 | 50% | 0.502 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 174.2 | -71.9 | 166.8 | -175.5 | 117.2 | 8.4 | 110.8 | E1181 R1182 W1183 A1187 Q1188 D1189 | E1181-R1185 VanDerWaalsContact CB-NH1 3.3Å; E1181-R1185 VanDerWaalsContact O-CG 3.26Å; E1181-R1185 WeakPolarHBondContact O-CG 3.37Å; E1181-R1185 PolarHBondContact O-N 2.94Å; E1181-R1185 IonicContact OE2-CZ 3.36Å; E1181-R1185 IonicContact OE2-NH1 2.68Å; E1181-R1185 PolarHBondContact OE2-NH1 3.41Å; E1181-R1185 VanDerWaalsContact OE2-NH1 3.16Å; E1181-R1185 IonicContact OE2-NH2 3.17Å; E1181-R1185 PolarHBondContact OE2-NH2 3.42Å; R1182-R1185 PolarHBondContact O-N 3.45Å; W1183-R1185 VanDerWaalsContact C-N 3.34Å; W1183-R1185 PolarHBondContact O-N 3.26Å; R1185-A1187 VanDerWaalsContact C-N 3.34Å; R1185-A1187 PolarHBondContact O-N 3.36Å; R1185-Q1188 WeakPolarHBondContact O-CB 3.29Å; R1185-Q1188 PolarHBondContact O-N 2.92Å; R1185-Q1188 VanDerWaalsContact O-N 3.11Å; R1185-D1189 PolarHBondContact O-N 3.11Å |
| 1186 | L | 96.9 | Very high | 95.3 | Very high | 85 Ų | 85 | 90.6 Ų | 90.6 | 45% | 0.445 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 179.6 | -176.5 | 62.5 | 0 | 0 | 0 | 112.7 | R1182 W1183 D1189 K1190 | R1182-L1186 PolarHBondContact O-N 3.04Å; R1182-L1186 VanDerWaalsContact O-N 3.1Å; W1183-L1186 HydrophobicContact CE3-CD2 3.91Å; W1183-L1186 HydrophobicContact CZ3-CD2 3.72Å; W1183-L1186 PolarHBondContact O-N 2.85Å; L1186-D1189 PolarHBondContact O-N 3.43Å; L1186-K1190 PolarHBondContact O-N 3.2Å |
| 1187 | A | 94.2 | Very high | 95.4 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1183 R1185 K1190 N1191 | W1183-A1187 WeakPolarHBondContact O-CB 3.24Å; W1183-A1187 PolarHBondContact O-N 2.66Å; R1185-A1187 VanDerWaalsContact C-N 3.34Å; R1185-A1187 PolarHBondContact O-N 3.36Å; A1187-K1190 PolarHBondContact O-N 2.94Å; A1187-N1191 PolarHBondContact O-N 3.49Å; A1187-N1191 PolarHBondContact O-ND2 2.92Å |
| 1188 | Q | 95.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 41% | 0.407 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 171.8 | -74.1 | 175.2 | 8 | 0 | 0 | 112 | R1184 R1185 N1191 R1192 | R1184-Q1188 VanDerWaalsContact O-CG 3.29Å; R1184-Q1188 WeakPolarHBondContact O-CG 3.43Å; R1184-Q1188 PolarHBondContact O-N 3.1Å; R1185-Q1188 WeakPolarHBondContact O-CB 3.29Å; R1185-Q1188 PolarHBondContact O-N 2.92Å; R1185-Q1188 VanDerWaalsContact O-N 3.11Å; Q1188-N1191 PolarHBondContact O-N 3.32Å; Q1188-R1192 VanDerWaalsContact O-CG 3.3Å; Q1188-R1192 WeakPolarHBondContact O-CG 3.43Å; Q1188-R1192 PolarHBondContact O-N 3.46Å |
| 1189 | D | 95.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 96 Ų | 96 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.5 | -69.3 | -38.7 | 0 | 0 | 0 | 112 | R1185 L1186 N1191 R1192 E1193 | R1185-D1189 PolarHBondContact O-N 3.11Å; L1186-D1189 PolarHBondContact O-N 3.43Å; D1189-N1191 PolarHBondContact O-N 2.91Å; D1189-R1192 WeakPolarHBondContact O-CB 3.3Å; D1189-R1192 PolarHBondContact O-N 2.66Å; D1189-R1192 IonicContact OD1-CZ 3.67Å; D1189-R1192 IonicContact OD1-NH1 2.69Å; D1189-R1192 PolarHBondContact OD1-NH1 3.29Å; D1189-E1193 PolarHBondContact O-N 3.42Å |
| 1190 | K | 95.9 | Very high | 95.6 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 172.1 | -67.2 | -46.4 | -173.3 | -170.1 | 0 | 113.7 | L1186 A1187 E1193 L1194 | L1186-K1190 PolarHBondContact O-N 3.2Å; A1187-K1190 PolarHBondContact O-N 2.94Å; K1190-E1193 WeakPolarHBondContact CD-OE1 3.24Å; K1190-E1193 VanDerWaalsContact CD-OE2 3.24Å; K1190-E1193 WeakPolarHBondContact CD-OE2 3.46Å; K1190-E1193 IonicContact NZ-OE1 3.89Å; K1190-E1193 PolarHBondContact NZ-OE1 3.42Å; K1190-E1193 IonicContact NZ-OE2 3.92Å; K1190-E1193 PolarHBondContact NZ-OE2 2.95Å; K1190-E1193 PolarHBondContact O-N 2.93Å; K1190-L1194 WeakPolarHBondContact O-CB 3.44Å; K1190-L1194 VanDerWaalsContact O-CG 3.3Å; K1190-L1194 WeakPolarHBondContact O-CG 3.5Å; K1190-L1194 PolarHBondContact O-N 3.5Å |
| 1191 | N | 95.4 | Very high | 95.5 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 170.3 | -72.7 | -20.6 | 0 | 0 | 0 | 111.9 | A1187 Q1188 D1189 L1194 D1195 | A1187-N1191 PolarHBondContact O-N 3.49Å; A1187-N1191 PolarHBondContact O-ND2 2.92Å; Q1188-N1191 PolarHBondContact O-N 3.32Å; D1189-N1191 PolarHBondContact O-N 2.91Å; N1191-L1194 PolarHBondContact O-N 2.87Å; N1191-D1195 PolarHBondContact O-N 2.94Å |
| 1192 | R | 95.7 | Very high | 95.5 | Very high | 146 Ų | 146 | 101.1 Ų | 101.1 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 172.7 | -68.7 | 163.7 | -174.2 | 140.6 | 7.8 | 112 | Q1188 D1189 D1195 A1196 | Q1188-R1192 VanDerWaalsContact O-CG 3.3Å; Q1188-R1192 WeakPolarHBondContact O-CG 3.43Å; Q1188-R1192 PolarHBondContact O-N 3.46Å; D1189-R1192 WeakPolarHBondContact O-CB 3.3Å; D1189-R1192 PolarHBondContact O-N 2.66Å; D1189-R1192 IonicContact OD1-CZ 3.67Å; D1189-R1192 IonicContact OD1-NH1 2.69Å; D1189-R1192 PolarHBondContact OD1-NH1 3.29Å; R1192-D1195 PolarHBondContact O-N 2.68Å; R1192-A1196 WeakPolarHBondContact O-CB 3.41Å; R1192-A1196 PolarHBondContact O-N 3.26Å |
| 1193 | E | 95.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 97.5 Ų | 97.5 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 171.9 | -72.1 | 173.8 | -149.3 | 0 | 0 | 111.5 | D1189 K1190 D1195 A1196 F1197 | D1189-E1193 PolarHBondContact O-N 3.42Å; K1190-E1193 WeakPolarHBondContact CD-OE1 3.24Å; K1190-E1193 VanDerWaalsContact CD-OE2 3.24Å; K1190-E1193 WeakPolarHBondContact CD-OE2 3.46Å; K1190-E1193 IonicContact NZ-OE1 3.89Å; K1190-E1193 PolarHBondContact NZ-OE1 3.42Å; K1190-E1193 IonicContact NZ-OE2 3.92Å; K1190-E1193 PolarHBondContact NZ-OE2 2.95Å; K1190-E1193 PolarHBondContact O-N 2.93Å; E1193-D1195 PolarHBondContact O-N 3.48Å; E1193-A1196 WeakPolarHBondContact O-CB 3.49Å; E1193-A1196 PolarHBondContact O-N 3.32Å; E1193-F1197 HydrophobicContact CB-CE2 4.26Å; E1193-F1197 WeakPolarHBondContact O-CD2 3.25Å; E1193-F1197 WeakPolarHBondContact O-CG 3.08Å; E1193-F1197 PolarHBondContact O-N 2.9Å |
| 1194 | L | 94.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 95 Ų | 95 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 177.7 | -72.6 | 170.9 | 0 | 0 | 0 | 113.1 | K1190 N1191 F1197 R1198 | K1190-L1194 WeakPolarHBondContact O-CB 3.44Å; K1190-L1194 VanDerWaalsContact O-CG 3.3Å; K1190-L1194 WeakPolarHBondContact O-CG 3.5Å; K1190-L1194 PolarHBondContact O-N 3.5Å; N1191-L1194 PolarHBondContact O-N 2.87Å; L1194-F1197 PolarHBondContact O-N 3.01Å; L1194-R1198 WeakPolarHBondContact O-CB 3.43Å; L1194-R1198 VanDerWaalsContact O-CG 3.25Å; L1194-R1198 WeakPolarHBondContact O-CG 3.3Å; L1194-R1198 PolarHBondContact O-N 3.28Å |
| 1195 | D | 94.8 | Very high | 95 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.6 | -31.6 | 175.6 | -72.6 | -29.1 | 0 | 0 | 0 | 112.3 | N1191 R1192 E1193 R1198 S1199 | N1191-D1195 PolarHBondContact O-N 2.94Å; R1192-D1195 PolarHBondContact O-N 2.68Å; E1193-D1195 PolarHBondContact O-N 3.48Å; D1195-R1198 PolarHBondContact O-N 3.29Å; D1195-R1198 WeakPolarHBondContact OD1-CD 3.33Å; D1195-R1198 IonicContact OD1-CZ 3.59Å; D1195-R1198 IonicContact OD1-NE 3.72Å; D1195-R1198 IonicContact OD1-NH1 3.27Å; D1195-R1198 PolarHBondContact OD1-NH1 2.69Å; D1195-S1199 PolarHBondContact O-N 3.18Å |
| 1196 | A | 94.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 90.1 Ų | 90.1 | 34% | 0.339 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.8 | -52.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1192 E1193 R1198 S1199 E1200 | R1192-A1196 WeakPolarHBondContact O-CB 3.41Å; R1192-A1196 PolarHBondContact O-N 3.26Å; E1193-A1196 WeakPolarHBondContact O-CB 3.49Å; E1193-A1196 PolarHBondContact O-N 3.32Å; A1196-R1198 VanDerWaalsContact C-N 3.28Å; A1196-R1198 PolarHBondContact O-N 3.45Å; A1196-S1199 PolarHBondContact O-N 2.91Å; A1196-S1199 PolarHBondContact O-OG 3.24Å; A1196-E1200 WeakPolarHBondContact O-CG 3.44Å; A1196-E1200 PolarHBondContact O-N 2.73Å |
| 1197 | F | 95.6 | Very high | 94.6 | Very high | 112 Ų | 112 | 90.7 Ų | 90.7 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.1 | -35.5 | 176.4 | -66.8 | -49.5 | 0 | 0 | 0 | 112.9 | E1193 L1194 E1200 L1201 | E1193-F1197 HydrophobicContact CB-CE2 4.26Å; E1193-F1197 WeakPolarHBondContact O-CD2 3.25Å; E1193-F1197 WeakPolarHBondContact O-CG 3.08Å; E1193-F1197 PolarHBondContact O-N 2.9Å; L1194-F1197 PolarHBondContact O-N 3.01Å; F1197-E1200 PolarHBondContact O-N 3.22Å; F1197-L1201 WeakPolarHBondContact O-CB 3.37Å; F1197-L1201 VanDerWaalsContact O-CG 3.26Å; F1197-L1201 WeakPolarHBondContact O-CG 3.39Å; F1197-L1201 PolarHBondContact O-N 2.99Å |
| 1198 | R | 96.3 | Very high | 94.3 | Very high | 148 Ų | 148 | 92.7 Ų | 92.7 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 171.3 | -76.5 | 163 | 172.8 | 165.5 | -1.1 | 111.6 | L1194 D1195 A1196 E1200 L1201 D1202 | L1194-R1198 WeakPolarHBondContact O-CB 3.43Å; L1194-R1198 VanDerWaalsContact O-CG 3.25Å; L1194-R1198 WeakPolarHBondContact O-CG 3.3Å; L1194-R1198 PolarHBondContact O-N 3.28Å; D1195-R1198 PolarHBondContact O-N 3.29Å; D1195-R1198 WeakPolarHBondContact OD1-CD 3.33Å; D1195-R1198 IonicContact OD1-CZ 3.59Å; D1195-R1198 IonicContact OD1-NE 3.72Å; D1195-R1198 IonicContact OD1-NH1 3.27Å; D1195-R1198 PolarHBondContact OD1-NH1 2.69Å; A1196-R1198 VanDerWaalsContact C-N 3.28Å; A1196-R1198 PolarHBondContact O-N 3.45Å; R1198-E1200 VanDerWaalsContact C-N 3.33Å; R1198-E1200 PolarHBondContact O-N 3.19Å; R1198-L1201 PolarHBondContact O-N 3.46Å; R1198-D1202 PolarHBondContact O-N 3.25Å |
| 1199 | S | 94.5 | Very high | 94 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 51% | 0.51 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -33.8 | 178.1 | 76 | 0 | 0 | 0 | 0 | 113.1 | D1195 A1196 S1203 | D1195-S1199 PolarHBondContact O-N 3.18Å; A1196-S1199 PolarHBondContact O-N 2.91Å; A1196-S1199 PolarHBondContact O-OG 3.24Å; S1199-S1203 WeakPolarHBondContact O-CB 3.31Å; S1199-S1203 PolarHBondContact O-N 2.94Å |
| 1200 | E | 95.6 | Very high | 93.5 | Very high | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 171.7 | -70.6 | 176.5 | -178.7 | 0 | 0 | 111.3 | A1196 F1197 R1198 S1203 I1204 | A1196-E1200 WeakPolarHBondContact O-CG 3.44Å; A1196-E1200 PolarHBondContact O-N 2.73Å; F1197-E1200 PolarHBondContact O-N 3.22Å; R1198-E1200 VanDerWaalsContact C-N 3.33Å; R1198-E1200 PolarHBondContact O-N 3.19Å; E1200-S1203 WeakPolarHBondContact O-CB 3.49Å; E1200-S1203 PolarHBondContact O-N 3.47Å; E1200-I1204 VanDerWaalsContact O-CG1 3.26Å; E1200-I1204 WeakPolarHBondContact O-CG1 3.26Å; E1200-I1204 PolarHBondContact O-N 2.88Å |
| 1201 | L | 94.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.4 | -75.4 | 168.4 | 0 | 0 | 0 | 112.1 | F1197 R1198 S1203 I1204 L1205 | F1197-L1201 WeakPolarHBondContact O-CB 3.37Å; F1197-L1201 VanDerWaalsContact O-CG 3.26Å; F1197-L1201 WeakPolarHBondContact O-CG 3.39Å; F1197-L1201 PolarHBondContact O-N 2.99Å; R1198-L1201 PolarHBondContact O-N 3.46Å; L1201-S1203 VanDerWaalsContact C-N 3.33Å; L1201-S1203 PolarHBondContact O-N 3.24Å; L1201-I1204 PolarHBondContact O-N 2.9Å; L1201-L1205 WeakPolarHBondContact O-CB 3.26Å; L1201-L1205 VanDerWaalsContact O-CG 3.22Å; L1201-L1205 WeakPolarHBondContact O-CG 3.37Å; L1201-L1205 PolarHBondContact O-N 3.27Å |
| 1202 | D | 94.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 175 | -84.9 | -36.2 | 0 | 0 | 0 | 111.7 | R1198 L1205 D1206 R1209 | R1198-D1202 PolarHBondContact O-N 3.25Å; D1202-L1205 CarbonylContact O-C 3.56Å; D1202-L1205 PolarHBondContact O-N 3.45Å; D1202-D1206 PolarHBondContact O-N 2.96Å; D1202-R1209 PolarHBondContact O-NH2 3.31Å |
| 1203 | S | 95.2 | Very high | 91.3 | Very high | 65 Ų | 65 | 99.9 Ų | 99.9 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.4 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | S1199 E1200 L1201 L1205 D1206 I1207 | S1199-S1203 WeakPolarHBondContact O-CB 3.31Å; S1199-S1203 PolarHBondContact O-N 2.94Å; E1200-S1203 WeakPolarHBondContact O-CB 3.49Å; E1200-S1203 PolarHBondContact O-N 3.47Å; L1201-S1203 VanDerWaalsContact C-N 3.33Å; L1201-S1203 PolarHBondContact O-N 3.24Å; S1203-L1205 VanDerWaalsContact C-N 3.32Å; S1203-L1205 PolarHBondContact O-N 3.46Å; S1203-D1206 PolarHBondContact O-N 3.49Å; S1203-I1207 VanDerWaalsContact O-CG1 3.31Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.3Å; S1203-I1207 PolarHBondContact O-N 3.49Å |
| 1204 | I | 92.8 | Very high | 90 | Very high | 90 Ų | 90 | 101.9 Ų | 101.9 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 173.1 | -69.6 | 162.4 | 0 | 0 | 0 | 110.3 | E1200 L1201 I1207 L1208 | E1200-I1204 VanDerWaalsContact O-CG1 3.26Å; E1200-I1204 WeakPolarHBondContact O-CG1 3.26Å; E1200-I1204 PolarHBondContact O-N 2.88Å; L1201-I1204 PolarHBondContact O-N 2.9Å; I1204-I1207 PolarHBondContact O-N 2.67Å; I1204-L1208 HydrophobicContact CG2-CD1 3.97Å; I1204-L1208 HydrophobicContact CG2-CG 4.45Å; I1204-L1208 WeakPolarHBondContact O-CB 3.41Å; I1204-L1208 VanDerWaalsContact O-CG 3.26Å; I1204-L1208 WeakPolarHBondContact O-CG 3.26Å; I1204-L1208 PolarHBondContact O-N 2.86Å |
| 1205 | L | 92.3 | Very high | 88.4 | Confident | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 176.9 | -72.4 | 169.6 | 0 | 0 | 0 | 112.4 | L1201 D1202 S1203 L1208 R1209 | L1201-L1205 WeakPolarHBondContact O-CB 3.26Å; L1201-L1205 VanDerWaalsContact O-CG 3.22Å; L1201-L1205 WeakPolarHBondContact O-CG 3.37Å; L1201-L1205 PolarHBondContact O-N 3.27Å; D1202-L1205 CarbonylContact O-C 3.56Å; D1202-L1205 PolarHBondContact O-N 3.45Å; S1203-L1205 VanDerWaalsContact C-N 3.32Å; S1203-L1205 PolarHBondContact O-N 3.46Å; L1205-L1208 HydrophobicContact CD2-CD1 4.5Å; L1205-R1209 WeakPolarHBondContact O-CB 3.4Å; L1205-R1209 VanDerWaalsContact O-CG 3.23Å; L1205-R1209 WeakPolarHBondContact O-CG 3.22Å; L1205-R1209 PolarHBondContact O-N 3.45Å; L1205-R1209 PolarHBondContact O-NE 2.81Å |
| 1206 | D | 92.3 | Very high | 86.5 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -41.6 | 172.7 | -95.4 | -39.7 | 0 | 0 | 0 | 111.8 | D1202 S1203 L1208 R1209 H1210 | D1202-D1206 PolarHBondContact O-N 2.96Å; S1203-D1206 PolarHBondContact O-N 3.49Å; D1206-L1208 VanDerWaalsContact C-N 3.35Å; D1206-R1209 VanDerWaalsContact CG-NH2 3.34Å; D1206-R1209 PolarHBondContact O-N 3.19Å; D1206-R1209 IonicContact OD1-CZ 3.63Å; D1206-R1209 IonicContact OD1-NE 3.75Å; D1206-R1209 IonicContact OD1-NH1 2.75Å; D1206-R1209 PolarHBondContact OD1-NH1 2.84Å; D1206-R1209 IonicContact OD1-NH2 2.7Å; D1206-R1209 PolarHBondContact OD1-NH2 2.82Å; D1206-R1209 IonicContact OD2-NH1 3Å; D1206-R1209 IonicContact OD2-NH2 2.66Å; D1206-H1210 WeakPolarHBondContact O-CB 3.23Å; D1206-H1210 PolarHBondContact O-N 2.84Å |
| 1207 | I | 91.5 | Very high | 84.4 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 172.2 | -68.1 | 163.8 | 0 | 0 | 0 | 110 | S1203 I1204 H1210 L1211 | S1203-I1207 VanDerWaalsContact O-CG1 3.31Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.3Å; S1203-I1207 PolarHBondContact O-N 3.49Å; I1204-I1207 PolarHBondContact O-N 2.67Å; I1207-H1210 PolarHBondContact O-N 3.23Å; I1207-L1211 HydrophobicContact CG2-CD1 3.97Å; I1207-L1211 HydrophobicContact CG2-CG 4.39Å; I1207-L1211 WeakPolarHBondContact O-CB 3.32Å; I1207-L1211 VanDerWaalsContact O-CG 3.3Å; I1207-L1211 WeakPolarHBondContact O-CG 3.43Å; I1207-L1211 PolarHBondContact O-N 3.36Å |
| 1208 | L | 86.9 | Confident | 82.2 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.5 | -72.7 | 170.1 | 0 | 0 | 0 | 112.1 | I1204 L1205 D1206 H1210 L1211 Q1212 | I1204-L1208 HydrophobicContact CG2-CD1 3.97Å; I1204-L1208 HydrophobicContact CG2-CG 4.45Å; I1204-L1208 WeakPolarHBondContact O-CB 3.41Å; I1204-L1208 VanDerWaalsContact O-CG 3.26Å; I1204-L1208 WeakPolarHBondContact O-CG 3.26Å; I1204-L1208 PolarHBondContact O-N 2.86Å; L1205-L1208 HydrophobicContact CD2-CD1 4.5Å; D1206-L1208 VanDerWaalsContact C-N 3.35Å; L1208-H1210 VanDerWaalsContact C-N 3.34Å; L1208-H1210 PolarHBondContact O-N 2.89Å; L1208-L1211 PolarHBondContact O-N 3.21Å; L1208-Q1212 WeakPolarHBondContact O-CB 3.45Å; L1208-Q1212 PolarHBondContact O-N 2.8Å |
| 1209 | R | 89.3 | Confident | 79.7 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 40% | 0.396 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -36.1 | 173.3 | -79.1 | 172 | -81.9 | 151.7 | -11.1 | 112.1 | D1202 L1205 D1206 K1213 | D1202-R1209 PolarHBondContact O-NH2 3.31Å; L1205-R1209 WeakPolarHBondContact O-CB 3.4Å; L1205-R1209 VanDerWaalsContact O-CG 3.23Å; L1205-R1209 WeakPolarHBondContact O-CG 3.22Å; L1205-R1209 PolarHBondContact O-N 3.45Å; L1205-R1209 PolarHBondContact O-NE 2.81Å; D1206-R1209 VanDerWaalsContact CG-NH2 3.34Å; D1206-R1209 PolarHBondContact O-N 3.19Å; D1206-R1209 IonicContact OD1-CZ 3.63Å; D1206-R1209 IonicContact OD1-NE 3.75Å; D1206-R1209 IonicContact OD1-NH1 2.75Å; D1206-R1209 PolarHBondContact OD1-NH1 2.84Å; D1206-R1209 IonicContact OD1-NH2 2.7Å; D1206-R1209 PolarHBondContact OD1-NH2 2.82Å; D1206-R1209 IonicContact OD2-NH1 3Å; D1206-R1209 IonicContact OD2-NH2 2.66Å; R1209-K1213 WeakPolarHBondContact O-CB 3.31Å; R1209-K1213 VanDerWaalsContact O-CG 3.29Å; R1209-K1213 WeakPolarHBondContact O-CG 3.33Å; R1209-K1213 PolarHBondContact O-N 3.27Å |
| 1210 | H | 84.9 | Confident | 77.6 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.5 | -43.7 | 174.1 | -169.2 | -38.5 | 0 | 0 | 0 | 111.6 | D1206 I1207 L1208 Q1212 K1213 H1214 | D1206-H1210 WeakPolarHBondContact O-CB 3.23Å; D1206-H1210 PolarHBondContact O-N 2.84Å; I1207-H1210 PolarHBondContact O-N 3.23Å; L1208-H1210 VanDerWaalsContact C-N 3.34Å; L1208-H1210 PolarHBondContact O-N 2.89Å; H1210-Q1212 VanDerWaalsContact C-N 3.33Å; H1210-Q1212 PolarHBondContact O-N 2.66Å; H1210-K1213 PolarHBondContact O-N 3.44Å; H1210-H1214 AromaticContact CE1-CD2 3.39Å; H1210-H1214 PolarHBondContact CE1-CD2 3.27Å; H1210-H1214 AromaticContact CE1-CE1 3.81Å; H1210-H1214 AromaticContact CE1-CG 3.96Å; H1210-H1214 AromaticContact CE1-NE2 3.3Å; H1210-H1214 PolarHBondContact CE1-NE2 2.88Å; H1210-H1214 VanDerWaalsContact CE1-NE2 3.3Å; H1210-H1214 AromaticContact ND1-CD2 3.29Å; H1210-H1214 PolarHBondContact ND1-CD2 3.46Å; H1210-H1214 VanDerWaalsContact ND1-CD2 3.29Å; H1210-H1214 AromaticContact ND1-CG 3.94Å; H1210-H1214 AromaticContact ND1-NE2 3.69Å; H1210-H1214 PolarHBondContact O-CD2 3.28Å; H1210-H1214 VanDerWaalsContact O-CD2 3.31Å; H1210-H1214 PolarHBondContact O-N 3.45Å; H1210-H1214 VanDerWaalsContact O-N 3.1Å |
| 1211 | L | 81.2 | Confident | 75.4 | Confident | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -38.2 | 175 | -72.6 | 171.6 | 0 | 0 | 0 | 111.4 | I1207 L1208 G1215 | I1207-L1211 HydrophobicContact CG2-CD1 3.97Å; I1207-L1211 HydrophobicContact CG2-CG 4.39Å; I1207-L1211 WeakPolarHBondContact O-CB 3.32Å; I1207-L1211 VanDerWaalsContact O-CG 3.3Å; I1207-L1211 WeakPolarHBondContact O-CG 3.43Å; I1207-L1211 PolarHBondContact O-N 3.36Å; L1208-L1211 PolarHBondContact O-N 3.21Å; L1211-G1215 WeakPolarHBondContact O-CA 3.43Å; L1211-G1215 PolarHBondContact O-N 3.39Å |
| 1212 | Q | 81.5 | Confident | 73.6 | Confident | 149 Ų | 149 | 111.6 Ų | 111.6 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -45.8 | 175 | -170.2 | 179.6 | 14.3 | 0 | 0 | 111.8 | L1208 H1210 H1214 A1216 | L1208-Q1212 WeakPolarHBondContact O-CB 3.45Å; L1208-Q1212 PolarHBondContact O-N 2.8Å; H1210-Q1212 VanDerWaalsContact C-N 3.33Å; H1210-Q1212 PolarHBondContact O-N 2.66Å; Q1212-H1214 VanDerWaalsContact C-N 3.3Å; Q1212-H1214 PolarHBondContact O-N 3.31Å; Q1212-A1216 PolarHBondContact O-N 3.19Å; Q1212-A1216 VanDerWaalsContact O-N 3.15Å |
| 1213 | K | 77.8 | Confident | 71.4 | Confident | 166 Ų | 166 | 114.5 Ų | 114.5 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.6 | -36.6 | 177.5 | -79.5 | 172.9 | 179.4 | 175.7 | 0 | 113.2 | R1209 H1210 | R1209-K1213 WeakPolarHBondContact O-CB 3.31Å; R1209-K1213 VanDerWaalsContact O-CG 3.29Å; R1209-K1213 WeakPolarHBondContact O-CG 3.33Å; R1209-K1213 PolarHBondContact O-N 3.27Å; H1210-K1213 PolarHBondContact O-N 3.44Å |
| 1214 | H | 68.4 | Low | 69.3 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -91.2 | -34.2 | -179.7 | -74.4 | -111.7 | 0 | 0 | 0 | 112.9 | H1210 Q1212 A1216 N1217 | H1210-H1214 AromaticContact CE1-CD2 3.39Å; H1210-H1214 PolarHBondContact CE1-CD2 3.27Å; H1210-H1214 AromaticContact CE1-CE1 3.81Å; H1210-H1214 AromaticContact CE1-CG 3.96Å; H1210-H1214 AromaticContact CE1-NE2 3.3Å; H1210-H1214 PolarHBondContact CE1-NE2 2.88Å; H1210-H1214 VanDerWaalsContact CE1-NE2 3.3Å; H1210-H1214 AromaticContact ND1-CD2 3.29Å; H1210-H1214 PolarHBondContact ND1-CD2 3.46Å; H1210-H1214 VanDerWaalsContact ND1-CD2 3.29Å; H1210-H1214 AromaticContact ND1-CG 3.94Å; H1210-H1214 AromaticContact ND1-NE2 3.69Å; H1210-H1214 PolarHBondContact O-CD2 3.28Å; H1210-H1214 VanDerWaalsContact O-CD2 3.31Å; H1210-H1214 PolarHBondContact O-N 3.45Å; H1210-H1214 VanDerWaalsContact O-N 3.1Å; Q1212-H1214 VanDerWaalsContact C-N 3.3Å; Q1212-H1214 PolarHBondContact O-N 3.31Å; H1214-A1216 VanDerWaalsContact C-N 3.31Å; H1214-A1216 PolarHBondContact O-N 3.47Å; H1214-N1217 PolarHBondContact O-N 3.3Å |
| 1215 | G | 61.9 | Low | 67.5 | Low | 39 Ų | 39 | 119.9 Ų | 119.9 | 40% | 0.402 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.7 | -21.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1211 N1217 H1218 | L1211-G1215 WeakPolarHBondContact O-CA 3.43Å; L1211-G1215 PolarHBondContact O-N 3.39Å; G1215-N1217 PolarHBondContact O-N 3.48Å; G1215-H1218 CarbonylContact O-C 3.42Å; G1215-H1218 PolarHBondContact O-N 3.29Å |
| 1216 | A | 54.5 | Low | 65.7 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -21.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1212 H1214 | Q1212-A1216 PolarHBondContact O-N 3.19Å; Q1212-A1216 VanDerWaalsContact O-N 3.15Å; H1214-A1216 VanDerWaalsContact C-N 3.31Å; H1214-A1216 PolarHBondContact O-N 3.47Å |
| 1217 | N | 52 | Low | 63.7 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -10.5 | 175.9 | -72.2 | -23.2 | 0 | 0 | 0 | 114.2 | H1214 G1215 | H1214-N1217 PolarHBondContact O-N 3.3Å; G1215-N1217 PolarHBondContact O-N 3.48Å |
| 1218 | H | 48.2 | Very low | 62 | Low | 166 Ų | 166 | 123.3 Ų | 123.3 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -135.3 | 71.4 | -177.1 | -68.8 | -30.5 | 0 | 0 | 0 | 111.2 | G1215 | G1215-H1218 CarbonylContact O-C 3.42Å; G1215-H1218 PolarHBondContact O-N 3.29Å |
| 1219 | G | 45.4 | Very low | 60.4 | Low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | trans | -65 | 152 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1220 | N | 49.4 | Very low | 58.7 | Low | 159 Ų | 159 | 123.2 Ų | 123.2 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 65.5 | 89.3 | 168.4 | -52.3 | -24.3 | 0 | 0 | 0 | 117 | ||
| 1221 | F | 50.3 | Low | 57.2 | Low | 208 Ų | 208 | 121 Ų | 121 | 91% | 0.912 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -167.6 | -15.2 | 133.5 | -118.7 | -73.4 | 0 | 0 | 0 | 116.3 | ||
| 1222 | T | 54.9 | Low | 55.9 | Low | 112 Ų | 112 | 121.9 Ų | 121.9 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | trans | -98.3 | -6.5 | -160.3 | 42 | 0 | 0 | 0 | 0 | 118 | Q1224 S1225 | T1222-Q1224 PolarHBondContact O-N 3.37Å; T1222-S1225 PolarHBondContact O-N 3.34Å | ||
| 1223 | L | 49.5 | Very low | 54.5 | Low | 151 Ų | 151 | 121.2 Ų | 121.2 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.9 | -21.5 | -171.7 | -80.8 | 170.3 | 0 | 0 | 0 | 115.7 | ||
| 1224 | Q | 50.8 | Low | 53.4 | Low | 183 Ų | 183 | 118.5 Ų | 118.5 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.3 | -24.6 | 177.5 | -95.9 | -179.4 | -23.7 | 0 | 0 | 113.9 | T1222 | T1222-Q1224 PolarHBondContact O-N 3.37Å |
| 1225 | S | 54.8 | Low | 52.8 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79 | -27.1 | -176.9 | -166.4 | 0 | 0 | 0 | 0 | 113.6 | T1222 | T1222-S1225 PolarHBondContact O-N 3.34Å |
| 1226 | L | 53.9 | Low | 52.4 | Low | 107 Ų | 107 | 124.4 Ų | 124.4 | 56% | 0.56 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.2 | -28.3 | -177.6 | -73.9 | 163.9 | 0 | 0 | 0 | 112.5 | C1228 N1229 V1230 | L1226-C1228 VanDerWaalsContact C-N 3.33Å; L1226-C1228 PolarHBondContact O-N 2.89Å; L1226-N1229 PolarHBondContact O-N 3.35Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.29Å; L1226-V1230 PolarHBondContact O-N 3.48Å |
| 1227 | H | 51.3 | Low | 52.5 | Low | 146 Ų | 146 | 125 Ų | 125 | 68% | 0.676 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.7 | -25.3 | -176.1 | -160.3 | -49.4 | 0 | 0 | 0 | 113.5 | ||
| 1228 | C | 55.2 | Low | 52.3 | Low | 89 Ų | 89 | 122.4 Ų | 122.4 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.6 | -49.6 | 173.2 | -76.1 | 0 | 0 | 0 | 0 | 111.9 | L1226 V1230 S1231 Q1232 | L1226-C1228 VanDerWaalsContact C-N 3.33Å; L1226-C1228 PolarHBondContact O-N 2.89Å; C1228-V1230 VanDerWaalsContact C-N 3.33Å; C1228-V1230 PolarHBondContact O-N 2.82Å; C1228-S1231 PolarHBondContact O-N 2.82Å; C1228-Q1232 PolarHBondContact O-N 3.22Å |
| 1229 | N | 53.1 | Low | 52.6 | Low | 110 Ų | 110 | 122.4 Ų | 122.4 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.7 | -31.8 | -171.9 | -67.6 | 2.1 | 0 | 0 | 0 | 113 | L1226 H1233 | L1226-N1229 PolarHBondContact O-N 3.35Å; N1229-H1233 PolarHBondContact O-N 3.46Å |
| 1230 | V | 54.4 | Low | 52.6 | Low | 88 Ų | 88 | 125.3 Ų | 125.3 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.6 | -40.3 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | L1226 C1228 Q1232 I1234 | L1226-V1230 WeakPolarHBondContact O-CG2 3.29Å; L1226-V1230 PolarHBondContact O-N 3.48Å; C1228-V1230 VanDerWaalsContact C-N 3.33Å; C1228-V1230 PolarHBondContact O-N 2.82Å; V1230-Q1232 VanDerWaalsContact C-N 3.34Å; V1230-Q1232 PolarHBondContact O-N 3.01Å; V1230-I1234 HydrophobicContact CG1-CD1 3.88Å; V1230-I1234 WeakPolarHBondContact O-CD1 3.34Å; V1230-I1234 VanDerWaalsContact O-CG1 3.31Å; V1230-I1234 WeakPolarHBondContact O-CG1 3.42Å; V1230-I1234 PolarHBondContact O-N 3.32Å |
| 1231 | S | 52.5 | Low | 52.7 | Low | 65 Ų | 65 | 120.4 Ų | 120.4 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -60.8 | -44.4 | 175.5 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | C1228 I1234 E1235 | C1228-S1231 PolarHBondContact O-N 2.82Å; S1231-I1234 PolarHBondContact O-N 3.38Å; S1231-E1235 PolarHBondContact O-N 2.76Å |
| 1232 | Q | 54.6 | Low | 52.9 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.8 | -35.2 | -175.1 | -159.6 | 144.9 | 19.1 | 0 | 0 | 112.8 | C1228 V1230 I1234 E1235 | C1228-Q1232 PolarHBondContact O-N 3.22Å; V1230-Q1232 VanDerWaalsContact C-N 3.34Å; V1230-Q1232 PolarHBondContact O-N 3.01Å; Q1232-I1234 VanDerWaalsContact C-N 3.33Å; Q1232-I1234 PolarHBondContact O-N 3.35Å; Q1232-E1235 PolarHBondContact O-N 3.27Å |
| 1233 | H | 52.5 | Low | 52.9 | Low | 135 Ų | 135 | 116.7 Ų | 116.7 | 63% | 0.625 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.7 | -24.1 | 177.7 | -149.8 | -49.6 | 0 | 0 | 0 | 113.4 | N1229 T1237 | N1229-H1233 PolarHBondContact O-N 3.46Å; H1233-T1237 PolarHBondContact ND1-OG1 3.38Å; H1233-T1237 PolarHBondContact O-OG1 3.1Å |
| 1234 | I | 54.7 | Low | 53 | Low | 108 Ų | 108 | 114.8 Ų | 114.8 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74 | -33.6 | 176.5 | -70.7 | 168.8 | 0 | 0 | 0 | 111.3 | V1230 S1231 Q1232 | V1230-I1234 HydrophobicContact CG1-CD1 3.88Å; V1230-I1234 WeakPolarHBondContact O-CD1 3.34Å; V1230-I1234 VanDerWaalsContact O-CG1 3.31Å; V1230-I1234 WeakPolarHBondContact O-CG1 3.42Å; V1230-I1234 PolarHBondContact O-N 3.32Å; S1231-I1234 PolarHBondContact O-N 3.38Å; Q1232-I1234 VanDerWaalsContact C-N 3.33Å; Q1232-I1234 PolarHBondContact O-N 3.35Å |
| 1235 | E | 55.8 | Low | 53.2 | Low | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.9 | -39.7 | 177.4 | -66.7 | -172.8 | 145.8 | 0 | 0 | 112.4 | S1231 Q1232 T1237 | S1231-E1235 PolarHBondContact O-N 2.76Å; Q1232-E1235 PolarHBondContact O-N 3.27Å; E1235-T1237 PolarHBondContact O-N 3.36Å |
| 1236 | D | 53.7 | Low | 53.1 | Low | 129 Ų | 129 | 118 Ų | 118 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.4 | -22.4 | -178.3 | -78.2 | -27 | 0 | 0 | 0 | 114.5 | ||
| 1237 | T | 55.3 | Low | 52.7 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -93.1 | -13.2 | -168.7 | -46.1 | 0 | 0 | 0 | 0 | 113.9 | H1233 E1235 | H1233-T1237 PolarHBondContact ND1-OG1 3.38Å; H1233-T1237 PolarHBondContact O-OG1 3.1Å; E1235-T1237 PolarHBondContact O-N 3.36Å |
| 1238 | V | 48.9 | Very low | 52.3 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | trans | -116.1 | 56.4 | -165.6 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | F1240 | V1238-F1240 HydrophobicContact CG1-CD2 3.69Å; V1238-F1240 HydrophobicContact CG1-CE2 4.11Å; V1238-F1240 PolarHBondContact O-N 3.15Å | ||
| 1239 | L | 53 | Low | 52 | Low | 166 Ų | 166 | 119.6 Ų | 119.6 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | trans | -76.4 | 63.1 | 172.8 | -77.3 | 172.1 | 0 | 0 | 0 | 112.9 | S1241 | L1239-S1241 PolarHBondContact O-N 3.49Š| ||
| 1240 | F | 47.2 | Very low | 51.7 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 54% | 0.544 | 63% | 0.634 | S | S | . | * | trans | -63.2 | 122.1 | 162.8 | -90.2 | -82.8 | 0 | 0 | 0 | 110 | V1238 Q1244 | V1238-F1240 HydrophobicContact CG1-CD2 3.69Å; V1238-F1240 HydrophobicContact CG1-CE2 4.11Å; V1238-F1240 PolarHBondContact O-N 3.15Å; F1240-Q1244 HydrophobicContact CD1-CB 4.11Å; F1240-Q1244 VanDerWaalsContact CD1-OE1 3.3Å | ||
| 1241 | S | 51.5 | Low | 50.7 | Low | 55 Ų | 55 | 122.4 Ų | 122.4 | 39% | 0.385 | 65% | 0.649 | S | S | . | * | trans | -62.9 | 156.4 | -178.6 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | L1239 E1243 Q1244 | L1239-S1241 PolarHBondContact O-N 3.49Å; S1241-E1243 PolarHBondContact O-N 3.38Å; S1241-Q1244 PolarHBondContact O-N 3.43Å | ||
| 1242 | A | 53.6 | Low | 49.9 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -34.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q1244 R1245 | A1242-Q1244 PolarHBondContact O-N 3.07Å; A1242-R1245 PolarHBondContact O-N 3.31Å |
| 1243 | E | 54.8 | Low | 49.1 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -64.7 | -38.3 | -179.8 | -64.4 | 171.8 | 130.2 | 0 | 0 | 112.1 | S1241 R1245 Q1246 | S1241-E1243 PolarHBondContact O-N 3.38Å; E1243-R1245 PolarHBondContact O-N 3.3Å; E1243-Q1246 PolarHBondContact O-N 3.5Å |
| 1244 | Q | 51.4 | Low | 48.9 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 51% | 0.514 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -69.2 | -16.8 | 177.8 | -68.3 | -179.1 | -59.7 | 0 | 0 | 113.2 | F1240 S1241 A1242 | F1240-Q1244 HydrophobicContact CD1-CB 4.11Å; F1240-Q1244 VanDerWaalsContact CD1-OE1 3.3Å; S1241-Q1244 PolarHBondContact O-N 3.43Å; A1242-Q1244 PolarHBondContact O-N 3.07Å |
| 1245 | R | 55.4 | Low | 48.6 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 67% | 0.672 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -82.7 | -16.5 | 174.8 | -59.3 | -171.3 | -173.9 | -149.9 | -0.9 | 113.6 | A1242 E1243 | A1242-R1245 PolarHBondContact O-N 3.31Å; E1243-R1245 PolarHBondContact O-N 3.3Å |
| 1246 | Q | 52.3 | Low | 48.2 | Very low | 158 Ų | 158 | 129.9 Ų | 129.9 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -18.7 | -172 | -163.7 | 163.3 | -0.3 | 0 | 0 | 114.1 | E1243 | E1243-Q1246 PolarHBondContact O-N 3.5Š|
| 1247 | A | 46.7 | Very low | 47.9 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -77.5 | -29 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1249 | A1247-S1249 VanDerWaalsContact C-N 3.29Å; A1247-S1249 PolarHBondContact O-N 2.94Å |
| 1248 | F | 42.7 | Very low | 47.4 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -2.2 | -170.9 | -106.7 | -78.8 | 0 | 0 | 0 | 115.6 | ||
| 1249 | S | 47.5 | Very low | 47.4 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 12.6 | 179.4 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | A1247 | A1247-S1249 VanDerWaalsContact C-N 3.29Å; A1247-S1249 PolarHBondContact O-N 2.94Å |
| 1250 | G | 46.8 | Very low | 47 | Very low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -90.1 | -31.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1251 | F | 34.7 | Very low | 46.9 | Very low | 196 Ų | 196 | 134 Ų | 134 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -131.8 | 114.9 | -173.8 | -95.3 | -96.3 | 0 | 0 | 0 | 111.6 | ||||
| 1252 | C | 35 | Very low | 46.6 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | -154 | 63.1 | 173.6 | -90 | 0 | 0 | 0 | 0 | 111 | ||||
| 1253 | I | 37.8 | Very low | 45.9 | Very low | 234 Ų | 234 | 146 Ų | 146 | 100% | 1.2 | 77% | 0.772 | S | S | * | * | trans | -136.4 | 0 | 147.1 | -60.3 | -173.6 | 0 | 0 | 0 | 106 |
Retrieved 1,253 of 1,253 residues in 528.2 ms
(Link to these results)