| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.9 | Very low | 43.3 | Very low | 250 Ų | 250 | 145.4 Ų | 145.4 | 100% | 1.232 | 84% | 0.841 | S | S | * | * | 0 | 128.7 | 0 | -61.5 | 173.2 | 173.5 | 0 | 0 | 106.5 | |||||
| 2 | A | 37.8 | Very low | 42.9 | Very low | 89 Ų | 89 | 149 Ų | 149 | 74% | 0.736 | 85% | 0.845 | S | S | * | * | cis | -149 | 138.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | S | 42.3 | Very low | 43 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | 51.1 | 104.3 | 85 | -60 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 4 | T | 43.3 | Very low | 42.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -162.3 | 107.4 | 153.4 | -68 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 5 | E | 42.4 | Very low | 42.1 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | 76.8 | 98.7 | 51.7 | -163.1 | 173.8 | 111 | 0 | 0 | 113.6 | |||||
| 6 | Q | 35.7 | Very low | 42.7 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -157.1 | 148.5 | 159.5 | -147.3 | 155.6 | -46.5 | 0 | 0 | 108.7 | ||||
| 7 | P | 45.1 | Very low | 42.9 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -121.5 | 167.5 | -134.5 | 45.6 | -38.9 | 0 | 0 | 0 | 117.2 | ||||
| 8 | D | 38.4 | Very low | 43.2 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -78.6 | 177.8 | 152.8 | -63.7 | -59.8 | 0 | 0 | 0 | 110.2 | ||||
| 9 | P | 58.1 | Low | 43 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | cis | -133.3 | -142.5 | 6.7 | 50.4 | -31 | 0 | 0 | 0 | 109.5 | ||||
| 10 | P | 50.2 | Low | 43.5 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | cis | -118.1 | 139.8 | 11.6 | 37.5 | -21.2 | 0 | 0 | 0 | 116.6 | ||||
| 11 | T | 43.9 | Very low | 43.9 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 134.3 | 148.6 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | Q | 38.6 | Very low | 44.4 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -137.8 | 124.7 | 156 | -158 | 170.3 | 11.2 | 0 | 0 | 111 | ||||
| 13 | S | 44.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -71.3 | 151.4 | -179.8 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 14 | G | 29.5 | Very low | 45.9 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -179.1 | 73.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P16 | G14-P16 WeakPolarHBondContact O-CD 3.47Š| ||
| 15 | L | 43.1 | Very low | 47.2 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -76.9 | 126.6 | 157.2 | -175.7 | 75.5 | 0 | 0 | 0 | 107.7 | ||||
| 16 | P | 50.6 | Low | 49 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -118.7 | 139.9 | 134 | 33.6 | -30.3 | 0 | 0 | 0 | 110.8 | G14 | G14-P16 WeakPolarHBondContact O-CD 3.47Š| ||
| 17 | S | 47.3 | Very low | 51.4 | Low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -69 | 153.1 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | G | 47 | Very low | 53.3 | Low | 79 Ų | 79 | 119.2 Ų | 119.2 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | trans | 61.2 | 94.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 19 | D | 39.7 | Very low | 55.7 | Low | 147 Ų | 147 | 114.8 Ų | 114.8 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -127.8 | 113.3 | 143.4 | -167.5 | 36.5 | 0 | 0 | 0 | 107.3 | ||||
| 20 | D | 53.3 | Low | 57.3 | Low | 167 Ų | 167 | 109.3 Ų | 109.3 | 89% | 0.893 | 66% | 0.658 | S | S | * | * | trans | -99.9 | 120.4 | 178.1 | -179.3 | 47.5 | 0 | 0 | 0 | 108 | ||||
| 21 | G | 52.8 | Low | 59.2 | Low | 42 Ų | 42 | 106.8 Ų | 106.8 | 43% | 0.433 | 65% | 0.647 | S | S | . | * | S | Bend | trans | 113.1 | 112 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | A23 | G21-A23 PolarHBondContact O-N 3.22Š|
| 22 | T | 48.2 | Very low | 61.6 | Low | 153 Ų | 153 | 105 Ų | 105 | 94% | 0.939 | 64% | 0.635 | S | S | * | * | trans | 70.3 | 13.9 | 149.8 | 70.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 23 | A | 52 | Low | 64.1 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 134.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G21 | G21-A23 PolarHBondContact O-N 3.22Š|
| 24 | R | 60.4 | Low | 66.4 | Low | 226 Ų | 226 | 91.6 Ų | 91.6 | 85% | 0.853 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 143.6 | 179.9 | -68.8 | -179.9 | -176.4 | 159.7 | 1.9 | 111.7 | R26 | R24-R26 PolarHBondContact O-N 2.95Š|
| 25 | P | 69.3 | Low | 69.4 | Low | 46 Ų | 46 | 96 Ų | 96 | 30% | 0.299 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -46.7 | 130 | 176.7 | -29 | 34.6 | 0 | 0 | 0 | 111.7 | E27 V30 E63 L66 | P25-E27 VanDerWaalsContact C-N 3.26Å; P25-E27 PolarHBondContact O-N 3.27Å; P25-V30 HydrophobicContact CB-CG2 4.46Å; P25-E63 HydrophobicContact CB-CG 4.29Å; P25-L66 HydrophobicContact CB-CD1 3.93Å; P25-L66 HydrophobicContact CG-CD1 3.67Å |
| 26 | R | 81.1 | Confident | 71.8 | Confident | 123 Ų | 123 | 91.2 Ų | 91.2 | 46% | 0.464 | 53% | 0.534 | S | S | . | . | trans | -75.6 | 86.3 | -179.5 | -65.5 | 168.5 | -64.5 | 166.6 | 5.3 | 108.3 | R24 A28 L29 V30 G58 E63 | R24-R26 PolarHBondContact O-N 2.95Å; R26-A28 PolarHBondContact O-N 3.09Å; R26-L29 HydrophobicContact CB-CB 4.41Å; R26-L29 HydrophobicContact CB-CD1 4.11Å; R26-L29 HydrophobicContact CB-CG 4.29Å; R26-L29 WeakPolarHBondContact O-CA 3.06Å; R26-L29 WeakPolarHBondContact O-CB 3.48Å; R26-L29 PolarHBondContact O-N 3.29Å; R26-V30 PolarHBondContact O-N 3.25Å; R26-V30 VanDerWaalsContact O-N 3.13Å; R26-G58 PolarHBondContact NH2-O 2.9Å; R26-E63 VanDerWaalsContact CB-OE1 3.3Å; R26-E63 WeakPolarHBondContact CB-OE1 3.28Å; R26-E63 IonicContact CZ-OE1 3.52Å; R26-E63 IonicContact CZ-OE2 2.62Å; R26-E63 PolarHBondContact N-OE1 2.91Å; R26-E63 IonicContact NE-OE1 2.62Å; R26-E63 PolarHBondContact NE-OE1 2.87Å; R26-E63 IonicContact NE-OE2 3.62Å; R26-E63 IonicContact NH2-OE1 3.96Å; R26-E63 PolarHBondContact NH2-OE1 2.92Å; R26-E63 IonicContact NH2-OE2 2.57Å; R26-E63 PolarHBondContact NH2-OE2 3.08Å | ||
| 27 | E | 86.3 | Confident | 73.8 | Confident | 94 Ų | 94 | 85.8 Ų | 85.8 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -48 | -34.1 | -173.3 | -74.6 | -64.6 | 163.4 | 0 | 0 | 113.9 | P25 L29 V30 A31 R70 | P25-E27 VanDerWaalsContact C-N 3.26Å; P25-E27 PolarHBondContact O-N 3.27Å; E27-L29 PolarHBondContact O-N 2.76Å; E27-V30 PolarHBondContact O-N 3.36Å; E27-A31 VanDerWaalsContact O-CB 3.27Å; E27-A31 WeakPolarHBondContact O-CB 3.46Å; E27-A31 PolarHBondContact O-N 3.31Å; E27-R70 IonicContact OE1-CZ 2.7Å; E27-R70 IonicContact OE1-NH1 3.41Å; E27-R70 IonicContact OE1-NH2 3.47Å; E27-R70 PolarHBondContact OE1-NH2 2.94Å; E27-R70 IonicContact OE2-CZ 3.69Å; E27-R70 IonicContact OE2-NH1 2.97Å; E27-R70 PolarHBondContact OE2-NH1 2.87Å; E27-R70 IonicContact OE2-NH2 3.49Å; E27-R70 PolarHBondContact OE2-NH2 2.82Å |
| 28 | A | 84.8 | Confident | 75.9 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 62% | 0.62 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R26 T32 | R26-A28 PolarHBondContact O-N 3.09Å; A28-T32 WeakPolarHBondContact O-CB 3.32Å; A28-T32 PolarHBondContact O-N 3.37Å; A28-T32 VanDerWaalsContact O-N 3.1Å; A28-T32 PolarHBondContact O-OG1 2.98Å |
| 29 | L | 88.5 | Confident | 78.1 | Confident | 60 Ų | 60 | 85.5 Ų | 85.5 | 31% | 0.314 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.4 | -39.8 | 175.4 | -64.6 | 179.1 | 0 | 0 | 0 | 111.2 | R26 E27 T32 A33 L59 | R26-L29 HydrophobicContact CB-CB 4.41Å; R26-L29 HydrophobicContact CB-CD1 4.11Å; R26-L29 HydrophobicContact CB-CG 4.29Å; R26-L29 WeakPolarHBondContact O-CA 3.06Å; R26-L29 WeakPolarHBondContact O-CB 3.48Å; R26-L29 PolarHBondContact O-N 3.29Å; E27-L29 PolarHBondContact O-N 2.76Å; L29-T32 PolarHBondContact O-N 2.84Å; L29-A33 WeakPolarHBondContact O-CB 3.37Å; L29-A33 PolarHBondContact O-N 2.82Å; L29-L59 HydrophobicContact CB-CD1 4.38Å; L29-L59 HydrophobicContact CB-CG 4.35Å |
| 30 | V | 91.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.3 | -177 | 0 | 0 | 0 | 0 | 110.2 | P25 R26 E27 T32 A33 V34 E63 L66 A67 | P25-V30 HydrophobicContact CB-CG2 4.46Å; R26-V30 PolarHBondContact O-N 3.25Å; R26-V30 VanDerWaalsContact O-N 3.13Å; E27-V30 PolarHBondContact O-N 3.36Å; V30-T32 VanDerWaalsContact C-N 3.34Å; V30-T32 PolarHBondContact O-N 3.26Å; V30-A33 PolarHBondContact O-N 2.77Å; V30-V34 HydrophobicContact CG1-CG2 4.47Å; V30-V34 VanDerWaalsContact O-CG2 3.3Å; V30-V34 WeakPolarHBondContact O-CG2 3.5Å; V30-V34 PolarHBondContact O-N 3.07Å; V30-E63 HydrophobicContact CG2-CB 4Å; V30-E63 HydrophobicContact CG2-CG 4.06Å; V30-L66 HydrophobicContact CG1-CB 4.19Å; V30-A67 HydrophobicContact CG1-CB 4.12Å |
| 31 | A | 90.8 | Very high | 82 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 49% | 0.488 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E27 V34 K35 | E27-A31 VanDerWaalsContact O-CB 3.27Å; E27-A31 WeakPolarHBondContact O-CB 3.46Å; E27-A31 PolarHBondContact O-N 3.31Å; A31-V34 PolarHBondContact O-N 2.79Å; A31-K35 PolarHBondContact O-N 2.91Å |
| 32 | T | 92.9 | Very high | 83.7 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | A28 L29 V30 K35 F36 | A28-T32 WeakPolarHBondContact O-CB 3.32Å; A28-T32 PolarHBondContact O-N 3.37Å; A28-T32 VanDerWaalsContact O-N 3.1Å; A28-T32 PolarHBondContact O-OG1 2.98Å; L29-T32 PolarHBondContact O-N 2.84Å; V30-T32 VanDerWaalsContact C-N 3.34Å; V30-T32 PolarHBondContact O-N 3.26Å; T32-K35 PolarHBondContact O-N 2.83Å; T32-F36 PolarHBondContact O-N 2.89Å |
| 33 | A | 92.5 | Very high | 85.5 | Confident | 4 Ų | 4 | 80.6 Ų | 80.6 | 3% | 0.033 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 V30 K35 F36 L37 L54 L59 A67 | L29-A33 WeakPolarHBondContact O-CB 3.37Å; L29-A33 PolarHBondContact O-N 2.82Å; V30-A33 PolarHBondContact O-N 2.77Å; A33-K35 PolarHBondContact O-N 2.81Å; A33-F36 WeakPolarHBondContact O-CB 3.39Å; A33-F36 PolarHBondContact O-N 2.86Å; A33-L37 WeakPolarHBondContact O-CB 3.45Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.26Å; A33-L37 PolarHBondContact O-N 3.3Å; A33-L54 HydrophobicContact CB-CD1 4.1Å; A33-L54 HydrophobicContact CB-CD2 3.61Å; A33-L54 HydrophobicContact CB-CG 4.49Å; A33-L59 HydrophobicContact CB-CD2 3.53Å; A33-A67 HydrophobicContact CB-CB 3.64Å |
| 34 | V | 93.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 84.1 Ų | 84.1 | 12% | 0.121 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 171.9 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | V30 A31 F36 L37 Q38 A67 R70 | V30-V34 HydrophobicContact CG1-CG2 4.47Å; V30-V34 VanDerWaalsContact O-CG2 3.3Å; V30-V34 WeakPolarHBondContact O-CG2 3.5Å; V30-V34 PolarHBondContact O-N 3.07Å; A31-V34 PolarHBondContact O-N 2.79Å; V34-F36 VanDerWaalsContact C-N 3.3Å; V34-F36 PolarHBondContact O-N 3.45Å; V34-L37 PolarHBondContact O-N 3.35Å; V34-Q38 HydrophobicContact CG1-CG 4.42Å; V34-Q38 WeakPolarHBondContact O-CB 3.34Å; V34-Q38 VanDerWaalsContact O-CG 3.29Å; V34-Q38 WeakPolarHBondContact O-CG 3.02Å; V34-Q38 PolarHBondContact O-N 3.17Å; V34-A67 HydrophobicContact CG2-CB 4.17Å; V34-A67 WeakPolarHBondContact CG2-O 3.46Å; V34-R70 HydrophobicContact CG2-CB 3.75Å |
| 35 | K | 92.4 | Very high | 88.5 | Confident | 164 Ų | 164 | 75.5 Ų | 75.5 | 71% | 0.713 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.7 | -35.3 | 176.8 | -173.5 | 174.9 | -178.8 | 176.4 | 0 | 112.7 | A31 T32 A33 | A31-K35 PolarHBondContact O-N 2.91Å; T32-K35 PolarHBondContact O-N 2.83Å; A33-K35 PolarHBondContact O-N 2.81Å |
| 36 | F | 92.9 | Very high | 89.5 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 26% | 0.259 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | 172.7 | 173.6 | -102.3 | 0 | 0 | 0 | 111.7 | T32 A33 V34 Q38 N39 V42 F53 L54 | T32-F36 PolarHBondContact O-N 2.89Å; A33-F36 WeakPolarHBondContact O-CB 3.39Å; A33-F36 PolarHBondContact O-N 2.86Å; V34-F36 VanDerWaalsContact C-N 3.3Å; V34-F36 PolarHBondContact O-N 3.45Å; F36-Q38 VanDerWaalsContact C-N 3.31Å; F36-Q38 PolarHBondContact O-N 2.94Å; F36-N39 VanDerWaalsContact O-CB 3.25Å; F36-N39 WeakPolarHBondContact O-CB 3.35Å; F36-N39 PolarHBondContact O-N 3.39Å; F36-N39 VanDerWaalsContact O-N 3.16Å; F36-V42 HydrophobicContact CD1-CG1 3.85Å; F36-V42 HydrophobicContact CD2-CG2 3.93Å; F36-V42 HydrophobicContact CE1-CG1 3.49Å; F36-V42 VanDerWaalsContact CE1-CG1 3.49Å; F36-V42 HydrophobicContact CE1-CG2 4.36Å; F36-V42 HydrophobicContact CE2-CG1 4.22Å; F36-V42 HydrophobicContact CE2-CG2 3.54Å; F36-V42 HydrophobicContact CG-CG1 4.36Å; F36-V42 HydrophobicContact CG-CG2 4.48Å; F36-V42 HydrophobicContact CZ-CB 4.43Å; F36-V42 HydrophobicContact CZ-CG1 3.7Å; F36-V42 HydrophobicContact CZ-CG2 3.78Å; F36-V42 WeakPolarHBondContact O-CB 3.35Å; F36-V42 WeakPolarHBondContact O-CG1 3.43Å; F36-F53 HydrophobicContact CD1-CD1 4.26Å; F36-F53 HydrophobicContact CD1-CE1 4.45Å; F36-F53 HydrophobicContact CD2-CE1 4.25Å; F36-F53 AromaticContact CE1-CD1 3.44Å; F36-F53 HydrophobicContact CE1-CD1 3.44Å; F36-F53 VanDerWaalsContact CE1-CD1 3.44Å; F36-F53 AromaticContact CE1-CE1 3.85Å; F36-F53 HydrophobicContact CE1-CE1 3.85Å; F36-F53 HydrophobicContact CE1-CG 4.23Å; F36-F53 HydrophobicContact CE2-CD1 4.05Å; F36-F53 AromaticContact CE2-CE1 3.61Å; F36-F53 HydrophobicContact CE2-CE1 3.61Å; F36-F53 HydrophobicContact CE2-CZ 4.14Å; F36-F53 AromaticContact CZ-CD1 3.31Å; F36-F53 HydrophobicContact CZ-CD1 3.31Å; F36-F53 AromaticContact CZ-CE1 3.38Å; F36-F53 HydrophobicContact CZ-CE1 3.38Å; F36-F53 AromaticContact CZ-CG 3.97Å; F36-F53 HydrophobicContact CZ-CG 3.97Å; F36-F53 HydrophobicContact CZ-CZ 4.09Å; F36-L54 HydrophobicContact CD1-CD2 3.91Å; F36-L54 HydrophobicContact CE1-CD2 4.39Å |
| 37 | L | 92.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.5 | -28.3 | -179.8 | -70.4 | 168.4 | 0 | 0 | 0 | 113.5 | A33 V34 N39 R43 R50 L54 A67 I68 S71 | A33-L37 WeakPolarHBondContact O-CB 3.45Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.26Å; A33-L37 PolarHBondContact O-N 3.3Å; V34-L37 PolarHBondContact O-N 3.35Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-R43 WeakPolarHBondContact O-CG 3.35Å; L37-R50 HydrophobicContact CD2-CB 3.94Å; L37-R50 HydrophobicContact CD2-CG 4.26Å; L37-L54 HydrophobicContact CD1-CD1 3.87Å; L37-L54 HydrophobicContact CD2-CD1 4.11Å; L37-L54 HydrophobicContact CG-CD1 4.08Å; L37-A67 HydrophobicContact CD1-CB 3.91Å; L37-A67 WeakPolarHBondContact CD1-O 3.35Å; L37-I68 HydrophobicContact CD1-CB 4.48Å; L37-I68 HydrophobicContact CD1-CG1 3.63Å; L37-I68 HydrophobicContact CD2-CG1 4.41Å; L37-S71 WeakPolarHBondContact CB-OG 3.19Å; L37-S71 WeakPolarHBondContact CD1-OG 3.22Å |
| 38 | Q | 91.8 | Very high | 89.8 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.1 | 174.5 | -75.1 | 173 | -6.5 | 0 | 0 | 113.7 | V34 F36 | V34-Q38 HydrophobicContact CG1-CG 4.42Å; V34-Q38 WeakPolarHBondContact O-CB 3.34Å; V34-Q38 VanDerWaalsContact O-CG 3.29Å; V34-Q38 WeakPolarHBondContact O-CG 3.02Å; V34-Q38 PolarHBondContact O-N 3.17Å; F36-Q38 VanDerWaalsContact C-N 3.31Å; F36-Q38 PolarHBondContact O-N 2.94Å |
| 39 | N | 92.9 | Very high | 90.1 | Very high | 71 Ų | 71 | 72.4 Ų | 72.4 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -66.7 | 128.5 | -179.2 | -176.7 | -33.9 | 0 | 0 | 0 | 110.6 | F36 L37 K41 V42 R43 | F36-N39 VanDerWaalsContact O-CB 3.25Å; F36-N39 WeakPolarHBondContact O-CB 3.35Å; F36-N39 PolarHBondContact O-N 3.39Å; F36-N39 VanDerWaalsContact O-N 3.16Å; L37-N39 VanDerWaalsContact C-N 3.3Å; N39-K41 VanDerWaalsContact C-N 3.32Å; N39-K41 PolarHBondContact O-N 3.41Å; N39-K41 PolarHBondContact OD1-N 2.98Å; N39-K41 VanDerWaalsContact OD1-N 3.14Å; N39-V42 HydrophobicContact CB-CB 4.11Å; N39-V42 HydrophobicContact CB-CG2 3.9Å; N39-V42 WeakPolarHBondContact O-CA 3.37Å; N39-V42 WeakPolarHBondContact O-CB 3.42Å; N39-V42 PolarHBondContact O-N 2.87Å; N39-R43 PolarHBondContact O-N 3.28Å |
| 40 | P | 87.6 | Confident | 90.2 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 57% | 0.571 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.3 | -42.7 | -176.3 | 20.1 | -32.8 | 0 | 0 | 0 | 113.4 | V42 R43 E44 | P40-V42 PolarHBondContact O-N 3.38Å; P40-R43 PolarHBondContact O-N 2.98Å; P40-R43 VanDerWaalsContact O-N 3.15Å; P40-E44 PolarHBondContact O-N 3.43Å; P40-E44 VanDerWaalsContact O-N 3.15Å |
| 41 | K | 86.3 | Confident | 90.3 | Very high | 161 Ų | 161 | 73.8 Ų | 73.8 | 70% | 0.7 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.1 | -23.8 | 178.1 | -62.1 | -171.2 | 176.5 | -172 | 0 | 113.3 | N39 | N39-K41 VanDerWaalsContact C-N 3.32Å; N39-K41 PolarHBondContact O-N 3.41Å; N39-K41 PolarHBondContact OD1-N 2.98Å; N39-K41 VanDerWaalsContact OD1-N 3.14Å |
| 42 | V | 89.5 | Confident | 90.3 | Very high | 16 Ų | 16 | 73.8 Ų | 73.8 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -87 | -37.5 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | F36 N39 P40 E44 S45 R50 | F36-V42 HydrophobicContact CD1-CG1 3.85Å; F36-V42 HydrophobicContact CD2-CG2 3.93Å; F36-V42 HydrophobicContact CE1-CG1 3.49Å; F36-V42 VanDerWaalsContact CE1-CG1 3.49Å; F36-V42 HydrophobicContact CE1-CG2 4.36Å; F36-V42 HydrophobicContact CE2-CG1 4.22Å; F36-V42 HydrophobicContact CE2-CG2 3.54Å; F36-V42 HydrophobicContact CG-CG1 4.36Å; F36-V42 HydrophobicContact CG-CG2 4.48Å; F36-V42 HydrophobicContact CZ-CB 4.43Å; F36-V42 HydrophobicContact CZ-CG1 3.7Å; F36-V42 HydrophobicContact CZ-CG2 3.78Å; F36-V42 WeakPolarHBondContact O-CB 3.35Å; F36-V42 WeakPolarHBondContact O-CG1 3.43Å; N39-V42 HydrophobicContact CB-CB 4.11Å; N39-V42 HydrophobicContact CB-CG2 3.9Å; N39-V42 WeakPolarHBondContact O-CA 3.37Å; N39-V42 WeakPolarHBondContact O-CB 3.42Å; N39-V42 PolarHBondContact O-N 2.87Å; P40-V42 PolarHBondContact O-N 3.38Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3.07Å; V42-S45 VanDerWaalsContact O-CB 3.31Å; V42-S45 WeakPolarHBondContact O-CB 3.27Å; V42-S45 PolarHBondContact O-N 2.85Å; V42-R50 HydrophobicContact CG1-CG 3.98Å; V42-R50 WeakPolarHBondContact O-CD 3.41Å; V42-R50 PolarHBondContact O-NE 3Å |
| 43 | R | 86.3 | Confident | 90.3 | Very high | 141 Ų | 141 | 74.4 Ų | 74.4 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 174.7 | -69.2 | -174.2 | 67.2 | 171.3 | 2.2 | 113.2 | L37 N39 P40 S45 R50 | L37-R43 WeakPolarHBondContact O-CG 3.35Å; N39-R43 PolarHBondContact O-N 3.28Å; P40-R43 PolarHBondContact O-N 2.98Å; P40-R43 VanDerWaalsContact O-N 3.15Å; R43-S45 PolarHBondContact O-N 3.42Å; R43-R50 PolarHBondContact O-NH2 3.46Å; R43-R50 VanDerWaalsContact O-NH2 3.11Å |
| 44 | E | 87.6 | Confident | 90.3 | Very high | 157 Ų | 157 | 74.4 Ų | 74.4 | 73% | 0.734 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.7 | 173.5 | -71.4 | 166.8 | -168.6 | 0 | 0 | 113.4 | P40 V42 | P40-E44 PolarHBondContact O-N 3.43Å; P40-E44 VanDerWaalsContact O-N 3.15Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3.07Å |
| 45 | S | 87.3 | Confident | 90.3 | Very high | 45 Ų | 45 | 78.1 Ų | 78.1 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -80.3 | 146.5 | 178.5 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | V42 R43 R50 | V42-S45 VanDerWaalsContact O-CB 3.31Å; V42-S45 WeakPolarHBondContact O-CB 3.27Å; V42-S45 PolarHBondContact O-N 2.85Å; R43-S45 PolarHBondContact O-N 3.42Å; S45-R50 VanDerWaalsContact O-CZ 3.3Å; S45-R50 PolarHBondContact O-NE 3.19Å; S45-R50 PolarHBondContact O-NH2 2.81Å |
| 46 | P | 89.6 | Confident | 90.2 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | trans | -55.3 | 144.5 | 175.7 | -26.7 | 35.1 | 0 | 0 | 0 | 113.3 | A48 T49 R50 | P46-A48 VanDerWaalsContact C-N 3.25Å; P46-A48 PolarHBondContact O-N 2.8Å; P46-T49 WeakPolarHBondContact O-CB 3.38Å; P46-T49 PolarHBondContact O-N 3Å; P46-R50 PolarHBondContact O-N 2.85Å; P46-R50 VanDerWaalsContact O-N 3.07Å | ||
| 47 | L | 86.8 | Confident | 90 | Very high | 32 Ų | 32 | 84.1 Ų | 84.1 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.6 | -38.1 | -179.8 | -78.3 | 170.7 | 0 | 0 | 0 | 112.6 | T49 R50 K51 E76 | L47-T49 PolarHBondContact O-N 3.4Å; L47-R50 PolarHBondContact O-N 3.44Å; L47-K51 WeakPolarHBondContact O-CG 3.18Å; L47-K51 PolarHBondContact O-N 3.13Å; L47-E76 HydrophobicContact CD1-CB 4.08Å |
| 48 | A | 88.4 | Confident | 89.8 | Confident | 77 Ų | 77 | 86.1 Ų | 86.1 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.5 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P46 K51 A52 | P46-A48 VanDerWaalsContact C-N 3.25Å; P46-A48 PolarHBondContact O-N 2.8Å; A48-K51 PolarHBondContact O-N 2.92Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.24Å |
| 49 | T | 90.7 | Very high | 89.6 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.7 | -47.7 | 0 | 0 | 0 | 0 | 111.3 | P46 L47 F53 | P46-T49 WeakPolarHBondContact O-CB 3.38Å; P46-T49 PolarHBondContact O-N 3Å; L47-T49 PolarHBondContact O-N 3.4Å; T49-F53 WeakPolarHBondContact O-CB 3.28Å; T49-F53 PolarHBondContact O-N 3.21Å |
| 50 | R | 91.4 | Very high | 89.5 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 9% | 0.087 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 175.6 | -71.4 | -174.7 | -100.4 | 163 | -3 | 112.4 | L37 V42 R43 S45 P46 L47 F53 L54 S73 | L37-R50 HydrophobicContact CD2-CB 3.94Å; L37-R50 HydrophobicContact CD2-CG 4.26Å; V42-R50 HydrophobicContact CG1-CG 3.98Å; V42-R50 WeakPolarHBondContact O-CD 3.41Å; V42-R50 PolarHBondContact O-NE 3Å; R43-R50 PolarHBondContact O-NH2 3.46Å; R43-R50 VanDerWaalsContact O-NH2 3.11Å; S45-R50 VanDerWaalsContact O-CZ 3.3Å; S45-R50 PolarHBondContact O-NE 3.19Å; S45-R50 PolarHBondContact O-NH2 2.81Å; P46-R50 PolarHBondContact O-N 2.85Å; P46-R50 VanDerWaalsContact O-N 3.07Å; L47-R50 PolarHBondContact O-N 3.44Å; R50-F53 PolarHBondContact O-N 3.46Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 2.91Å; R50-L54 VanDerWaalsContact O-N 3.13Å; R50-S73 PolarHBondContact NH1-OG 2.94Å |
| 51 | K | 92 | Very high | 89.6 | Confident | 66 Ų | 66 | 82.2 Ų | 82.2 | 29% | 0.287 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 174.5 | -71.6 | -167 | -171.8 | -148.9 | 0 | 110.6 | L47 A48 F53 L54 K55 V64 E65 I68 | L47-K51 WeakPolarHBondContact O-CG 3.18Å; L47-K51 PolarHBondContact O-N 3.13Å; A48-K51 PolarHBondContact O-N 2.92Å; K51-F53 PolarHBondContact O-N 3.08Å; K51-L54 PolarHBondContact O-N 3.01Å; K51-K55 WeakPolarHBondContact O-CG 3.49Å; K51-K55 PolarHBondContact O-N 3.23Å; K51-V64 HydrophobicContact CB-CG1 4.21Å; K51-V64 HydrophobicContact CG-CG1 3.95Å; K51-E65 IonicContact NZ-OE1 2.84Å; K51-E65 IonicContact NZ-OE2 3.77Å; K51-E65 PolarHBondContact NZ-OE2 3.06Å; K51-I68 HydrophobicContact CD-CD1 4.01Å; K51-I68 VanDerWaalsContact CE-CD1 3.47Å; K51-I68 HydrophobicContact CG-CD1 3.45Å; K51-I68 VanDerWaalsContact CG-CD1 3.45Å |
| 52 | A | 91.5 | Very high | 89.7 | Confident | 58 Ų | 58 | 81.5 Ų | 81.5 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A48 K56 | A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.24Å; A52-K56 WeakPolarHBondContact O-CB 3.39Å; A52-K56 PolarHBondContact O-N 3.28Å |
| 53 | F | 92.4 | Very high | 89.7 | Confident | 107 Ų | 107 | 81 Ų | 81 | 47% | 0.469 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176 | -175.7 | -90.4 | 0 | 0 | 0 | 112.1 | F36 T49 R50 K51 K56 K57 | F36-F53 HydrophobicContact CD1-CD1 4.26Å; F36-F53 HydrophobicContact CD1-CE1 4.45Å; F36-F53 HydrophobicContact CD2-CE1 4.25Å; F36-F53 AromaticContact CE1-CD1 3.44Å; F36-F53 HydrophobicContact CE1-CD1 3.44Å; F36-F53 VanDerWaalsContact CE1-CD1 3.44Å; F36-F53 AromaticContact CE1-CE1 3.85Å; F36-F53 HydrophobicContact CE1-CE1 3.85Å; F36-F53 HydrophobicContact CE1-CG 4.23Å; F36-F53 HydrophobicContact CE2-CD1 4.05Å; F36-F53 AromaticContact CE2-CE1 3.61Å; F36-F53 HydrophobicContact CE2-CE1 3.61Å; F36-F53 HydrophobicContact CE2-CZ 4.14Å; F36-F53 AromaticContact CZ-CD1 3.31Å; F36-F53 HydrophobicContact CZ-CD1 3.31Å; F36-F53 AromaticContact CZ-CE1 3.38Å; F36-F53 HydrophobicContact CZ-CE1 3.38Å; F36-F53 AromaticContact CZ-CG 3.97Å; F36-F53 HydrophobicContact CZ-CG 3.97Å; F36-F53 HydrophobicContact CZ-CZ 4.09Å; T49-F53 WeakPolarHBondContact O-CB 3.28Å; T49-F53 PolarHBondContact O-N 3.21Å; R50-F53 PolarHBondContact O-N 3.46Å; K51-F53 PolarHBondContact O-N 3.08Å; F53-K56 PolarHBondContact O-N 3.11Å; F53-K57 WeakPolarHBondContact O-CB 3.36Å; F53-K57 PolarHBondContact O-N 2.8Å |
| 54 | L | 93.8 | Very high | 90 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 178.1 | -65.8 | 175.3 | 0 | 0 | 0 | 112.3 | A33 F36 L37 R50 K51 K56 K57 G58 L59 V64 | A33-L54 HydrophobicContact CB-CD1 4.1Å; A33-L54 HydrophobicContact CB-CD2 3.61Å; A33-L54 HydrophobicContact CB-CG 4.49Å; F36-L54 HydrophobicContact CD1-CD2 3.91Å; F36-L54 HydrophobicContact CE1-CD2 4.39Å; L37-L54 HydrophobicContact CD1-CD1 3.87Å; L37-L54 HydrophobicContact CD2-CD1 4.11Å; L37-L54 HydrophobicContact CG-CD1 4.08Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 2.91Å; R50-L54 VanDerWaalsContact O-N 3.13Å; K51-L54 PolarHBondContact O-N 3.01Å; L54-K56 PolarHBondContact O-N 2.94Å; L54-K57 WeakPolarHBondContact O-CA 3.22Å; L54-K57 WeakPolarHBondContact O-CB 3.43Å; L54-K57 PolarHBondContact O-N 3.23Å; L54-G58 PolarHBondContact O-N 2.9Å; L54-L59 PolarHBondContact O-N 2.93Å; L54-V64 HydrophobicContact CB-CG1 4.45Å; L54-V64 HydrophobicContact CB-CG2 3.67Å; L54-V64 HydrophobicContact CD1-CG1 4.28Å |
| 55 | K | 91.9 | Very high | 90.1 | Very high | 98 Ų | 98 | 71 Ų | 71 | 43% | 0.426 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 170.8 | -67.3 | -170 | -171.5 | -146.2 | 0 | 111.6 | K51 K57 G58 D61 V64 | K51-K55 WeakPolarHBondContact O-CG 3.49Å; K51-K55 PolarHBondContact O-N 3.23Å; K55-K57 PolarHBondContact O-N 3.05Å; K55-G58 PolarHBondContact O-N 3.41Å; K55-D61 WeakPolarHBondContact CD-OD1 3.44Å; K55-D61 WeakPolarHBondContact CE-OD1 3.38Å; K55-D61 IonicContact NZ-OD1 3.56Å; K55-D61 PolarHBondContact NZ-OD1 3.01Å; K55-D61 IonicContact NZ-OD2 2.61Å; K55-D61 PolarHBondContact NZ-OD2 2.82Å; K55-V64 HydrophobicContact CG-CG2 4.29Å |
| 56 | K | 91.1 | Very high | 90.3 | Very high | 194 Ų | 194 | 71.3 Ų | 71.3 | 84% | 0.843 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.4 | -23.9 | 175.3 | -175.2 | 172.3 | -179.5 | 176.5 | 0 | 113.1 | A52 F53 L54 G58 | A52-K56 WeakPolarHBondContact O-CB 3.39Å; A52-K56 PolarHBondContact O-N 3.28Å; F53-K56 PolarHBondContact O-N 3.11Å; L54-K56 PolarHBondContact O-N 2.94Å; K56-G58 PolarHBondContact O-N 2.99Å |
| 57 | K | 89.4 | Confident | 90.3 | Very high | 155 Ų | 155 | 67.2 Ų | 67.2 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -2.2 | 174.2 | -165.6 | 53.4 | 174.1 | 175.6 | 0 | 113.2 | F53 L54 K55 L59 | F53-K57 WeakPolarHBondContact O-CB 3.36Å; F53-K57 PolarHBondContact O-N 2.8Å; L54-K57 WeakPolarHBondContact O-CA 3.22Å; L54-K57 WeakPolarHBondContact O-CB 3.43Å; L54-K57 PolarHBondContact O-N 3.23Å; K55-K57 PolarHBondContact O-N 3.05Å; K57-L59 HydrophobicContact CB-CD1 4.25Å; K57-L59 HydrophobicContact CG-CD1 4.37Å |
| 58 | G | 87.9 | Confident | 90.5 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 23.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R26 L54 K55 K56 | R26-G58 PolarHBondContact NH2-O 2.9Å; L54-G58 PolarHBondContact O-N 2.9Å; K55-G58 PolarHBondContact O-N 3.41Å; K56-G58 PolarHBondContact O-N 2.99Å |
| 59 | L | 88.4 | Confident | 90.5 | Very high | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | trans | -88 | 140.3 | 167 | -78.4 | 75.8 | 0 | 0 | 0 | 110 | L29 A33 L54 K57 E63 V64 | L29-L59 HydrophobicContact CB-CD1 4.38Å; L29-L59 HydrophobicContact CB-CG 4.35Å; A33-L59 HydrophobicContact CB-CD2 3.53Å; L54-L59 PolarHBondContact O-N 2.93Å; K57-L59 HydrophobicContact CB-CD1 4.25Å; K57-L59 HydrophobicContact CG-CD1 4.37Å; L59-E63 WeakPolarHBondContact CA-OE2 3.41Å; L59-E63 HydrophobicContact CB-CB 4.11Å; L59-E63 HydrophobicContact CD2-CB 4.22Å; L59-E63 HydrophobicContact CG-CB 4.29Å; L59-V64 HydrophobicContact CB-CG2 3.76Å; L59-V64 HydrophobicContact CD2-CG2 4.5Å | ||
| 60 | T | 89.7 | Confident | 90.4 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | trans | -72.7 | 161.9 | 171.4 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | E62 E63 V64 | T60-E62 PolarHBondContact O-N 2.75Å; T60-E63 PolarHBondContact N-OE2 3.27Å; T60-E63 PolarHBondContact O-N 2.9Å; T60-E63 VanDerWaalsContact O-N 3.09Å; T60-E63 VanDerWaalsContact OG1-CG 3.29Å; T60-E63 WeakPolarHBondContact OG1-CG 3.5Å; T60-E63 PolarHBondContact OG1-N 2.85Å; T60-E63 PolarHBondContact OG1-OE2 3.11Å; T60-V64 WeakPolarHBondContact O-CG2 3.49Å; T60-V64 PolarHBondContact O-N 2.75Å | ||
| 61 | D | 88.8 | Confident | 90.1 | Very high | 98 Ų | 98 | 70.1 Ų | 70.1 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.1 | -35.8 | -179.4 | -75.8 | 18.3 | 0 | 0 | 0 | 112.6 | K55 V64 E65 | K55-D61 WeakPolarHBondContact CD-OD1 3.44Å; K55-D61 WeakPolarHBondContact CE-OD1 3.38Å; K55-D61 IonicContact NZ-OD1 3.56Å; K55-D61 PolarHBondContact NZ-OD1 3.01Å; K55-D61 IonicContact NZ-OD2 2.61Å; K55-D61 PolarHBondContact NZ-OD2 2.82Å; D61-V64 PolarHBondContact O-N 3.38Å; D61-E65 PolarHBondContact O-N 2.96Å |
| 62 | E | 89 | Confident | 89.3 | Confident | 145 Ų | 145 | 69.3 Ų | 69.3 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | 173.8 | -59.7 | -178.6 | -177.9 | 0 | 0 | 112.2 | T60 V64 E65 L66 | T60-E62 PolarHBondContact O-N 2.75Å; E62-V64 VanDerWaalsContact C-N 3.28Å; E62-V64 PolarHBondContact O-N 2.69Å; E62-E65 PolarHBondContact O-N 3.09Å; E62-L66 WeakPolarHBondContact O-CB 3.4Å; E62-L66 VanDerWaalsContact O-CG 3.3Å; E62-L66 WeakPolarHBondContact O-CG 3.22Å; E62-L66 PolarHBondContact O-N 3.09Å |
| 63 | E | 89.9 | Confident | 88 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -36.2 | 175.7 | -72.3 | 174.4 | 146.5 | 0 | 0 | 111.6 | P25 R26 V30 L59 T60 A67 | P25-E63 HydrophobicContact CB-CG 4.29Å; R26-E63 VanDerWaalsContact CB-OE1 3.3Å; R26-E63 WeakPolarHBondContact CB-OE1 3.28Å; R26-E63 IonicContact CZ-OE1 3.52Å; R26-E63 IonicContact CZ-OE2 2.62Å; R26-E63 PolarHBondContact N-OE1 2.91Å; R26-E63 IonicContact NE-OE1 2.62Å; R26-E63 PolarHBondContact NE-OE1 2.87Å; R26-E63 IonicContact NE-OE2 3.62Å; R26-E63 IonicContact NH2-OE1 3.96Å; R26-E63 PolarHBondContact NH2-OE1 2.92Å; R26-E63 IonicContact NH2-OE2 2.57Å; R26-E63 PolarHBondContact NH2-OE2 3.08Å; V30-E63 HydrophobicContact CG2-CB 4Å; V30-E63 HydrophobicContact CG2-CG 4.06Å; L59-E63 WeakPolarHBondContact CA-OE2 3.41Å; L59-E63 HydrophobicContact CB-CB 4.11Å; L59-E63 HydrophobicContact CD2-CB 4.22Å; L59-E63 HydrophobicContact CG-CB 4.29Å; T60-E63 PolarHBondContact N-OE2 3.27Å; T60-E63 PolarHBondContact O-N 2.9Å; T60-E63 VanDerWaalsContact O-N 3.09Å; T60-E63 VanDerWaalsContact OG1-CG 3.29Å; T60-E63 WeakPolarHBondContact OG1-CG 3.5Å; T60-E63 PolarHBondContact OG1-N 2.85Å; T60-E63 PolarHBondContact OG1-OE2 3.11Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.35Å |
| 64 | V | 92.5 | Very high | 86.6 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | K51 L54 K55 L59 T60 D61 E62 A67 I68 | K51-V64 HydrophobicContact CB-CG1 4.21Å; K51-V64 HydrophobicContact CG-CG1 3.95Å; L54-V64 HydrophobicContact CB-CG1 4.45Å; L54-V64 HydrophobicContact CB-CG2 3.67Å; L54-V64 HydrophobicContact CD1-CG1 4.28Å; K55-V64 HydrophobicContact CG-CG2 4.29Å; L59-V64 HydrophobicContact CB-CG2 3.76Å; L59-V64 HydrophobicContact CD2-CG2 4.5Å; T60-V64 WeakPolarHBondContact O-CG2 3.49Å; T60-V64 PolarHBondContact O-N 2.75Å; D61-V64 PolarHBondContact O-N 3.38Å; E62-V64 VanDerWaalsContact C-N 3.28Å; E62-V64 PolarHBondContact O-N 2.69Å; V64-A67 PolarHBondContact O-N 3.44Å; V64-I68 HydrophobicContact CG1-CD1 4Å; V64-I68 WeakPolarHBondContact O-CG1 3.28Å; V64-I68 PolarHBondContact O-N 3.21Å |
| 65 | E | 90.7 | Very high | 84.7 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | -179.8 | -157.9 | 61.2 | -149 | 0 | 0 | 111.4 | K51 D61 E62 A67 I68 Q69 | K51-E65 IonicContact NZ-OE1 2.84Å; K51-E65 IonicContact NZ-OE2 3.77Å; K51-E65 PolarHBondContact NZ-OE2 3.06Å; D61-E65 PolarHBondContact O-N 2.96Å; E62-E65 PolarHBondContact O-N 3.09Å; E65-A67 VanDerWaalsContact C-N 3.29Å; E65-A67 PolarHBondContact O-N 3.37Å; E65-I68 PolarHBondContact O-N 3.42Å; E65-I68 VanDerWaalsContact O-N 3.16Å; E65-Q69 WeakPolarHBondContact O-CB 3.24Å; E65-Q69 PolarHBondContact O-N 2.76Å |
| 66 | L | 89.5 | Confident | 82.9 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58 | -39.7 | 171.4 | -73 | 170.7 | 0 | 0 | 0 | 112.1 | P25 V30 E62 R70 | P25-L66 HydrophobicContact CB-CD1 3.93Å; P25-L66 HydrophobicContact CG-CD1 3.67Å; V30-L66 HydrophobicContact CG1-CB 4.19Å; E62-L66 WeakPolarHBondContact O-CB 3.4Å; E62-L66 VanDerWaalsContact O-CG 3.3Å; E62-L66 WeakPolarHBondContact O-CG 3.22Å; E62-L66 PolarHBondContact O-N 3.09Å; L66-R70 VanDerWaalsContact O-CB 3.27Å; L66-R70 WeakPolarHBondContact O-CB 3.43Å; L66-R70 WeakPolarHBondContact O-CG 3.09Å; L66-R70 PolarHBondContact O-N 3.26Å |
| 67 | A | 91 | Very high | 80.7 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V30 A33 V34 L37 E63 V64 E65 S71 | V30-A67 HydrophobicContact CG1-CB 4.12Å; A33-A67 HydrophobicContact CB-CB 3.64Å; V34-A67 HydrophobicContact CG2-CB 4.17Å; V34-A67 WeakPolarHBondContact CG2-O 3.46Å; L37-A67 HydrophobicContact CD1-CB 3.91Å; L37-A67 WeakPolarHBondContact CD1-O 3.35Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.35Å; V64-A67 PolarHBondContact O-N 3.44Å; E65-A67 VanDerWaalsContact C-N 3.29Å; E65-A67 PolarHBondContact O-N 3.37Å; A67-S71 VanDerWaalsContact O-CB 3.22Å; A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 2.87Å; A67-S71 PolarHBondContact O-OG 3.48Å |
| 68 | I | 89.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 177.8 | -72 | 172.3 | 0 | 0 | 0 | 111.3 | L37 K51 V64 E65 S71 G72 S73 | L37-I68 HydrophobicContact CD1-CB 4.48Å; L37-I68 HydrophobicContact CD1-CG1 3.63Å; L37-I68 HydrophobicContact CD2-CG1 4.41Å; K51-I68 HydrophobicContact CD-CD1 4.01Å; K51-I68 VanDerWaalsContact CE-CD1 3.47Å; K51-I68 HydrophobicContact CG-CD1 3.45Å; K51-I68 VanDerWaalsContact CG-CD1 3.45Å; V64-I68 HydrophobicContact CG1-CD1 4Å; V64-I68 WeakPolarHBondContact O-CG1 3.28Å; V64-I68 PolarHBondContact O-N 3.21Å; E65-I68 PolarHBondContact O-N 3.42Å; E65-I68 VanDerWaalsContact O-N 3.16Å; I68-S71 WeakPolarHBondContact CA-OG 3.22Å; I68-S71 PolarHBondContact O-N 3.43Å; I68-S71 PolarHBondContact O-OG 2.89Å; I68-S71 VanDerWaalsContact O-OG 3.08Å; I68-G72 PolarHBondContact O-N 2.9Å; I68-S73 PolarHBondContact O-N 3.28Å; I68-S73 VanDerWaalsContact O-N 3.11Å |
| 69 | Q | 89.9 | Confident | 76.2 | Confident | 135 Ų | 135 | 79.1 Ų | 79.1 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | 175.3 | -169.1 | 172.8 | 49.9 | 0 | 0 | 111.4 | E65 S71 G72 | E65-Q69 WeakPolarHBondContact O-CB 3.24Å; E65-Q69 PolarHBondContact O-N 2.76Å; Q69-S71 PolarHBondContact O-N 2.79Å; Q69-G72 PolarHBondContact O-N 3.43Å |
| 70 | R | 87.9 | Confident | 74.1 | Confident | 115 Ų | 115 | 86.5 Ų | 86.5 | 43% | 0.434 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.5 | -23.9 | 179.7 | -68.4 | 172.9 | -175.6 | -178.3 | 2.2 | 114.4 | E27 V34 L66 | E27-R70 IonicContact OE1-CZ 2.7Å; E27-R70 IonicContact OE1-NH1 3.41Å; E27-R70 IonicContact OE1-NH2 3.47Å; E27-R70 PolarHBondContact OE1-NH2 2.94Å; E27-R70 IonicContact OE2-CZ 3.69Å; E27-R70 IonicContact OE2-NH1 2.97Å; E27-R70 PolarHBondContact OE2-NH1 2.87Å; E27-R70 IonicContact OE2-NH2 3.49Å; E27-R70 PolarHBondContact OE2-NH2 2.82Å; V34-R70 HydrophobicContact CG2-CB 3.75Å; L66-R70 VanDerWaalsContact O-CB 3.27Å; L66-R70 WeakPolarHBondContact O-CB 3.43Å; L66-R70 WeakPolarHBondContact O-CG 3.09Å; L66-R70 PolarHBondContact O-N 3.26Å |
| 71 | S | 85.1 | Confident | 71.5 | Confident | 18 Ų | 18 | 88.3 Ų | 88.3 | 13% | 0.126 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.1 | 173.8 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | L37 A67 I68 Q69 S73 | L37-S71 WeakPolarHBondContact CB-OG 3.19Å; L37-S71 WeakPolarHBondContact CD1-OG 3.22Å; A67-S71 VanDerWaalsContact O-CB 3.22Å; A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 2.87Å; A67-S71 PolarHBondContact O-OG 3.48Å; I68-S71 WeakPolarHBondContact CA-OG 3.22Å; I68-S71 PolarHBondContact O-N 3.43Å; I68-S71 PolarHBondContact O-OG 2.89Å; I68-S71 VanDerWaalsContact O-OG 3.08Å; Q69-S71 PolarHBondContact O-N 2.79Å; S71-S73 PolarHBondContact O-N 2.93Å |
| 72 | G | 76 | Confident | 69.4 | Low | 49 Ų | 49 | 89.6 Ų | 89.6 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 20.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I68 Q69 T74 | I68-G72 PolarHBondContact O-N 2.9Å; Q69-G72 PolarHBondContact O-N 3.43Å; G72-T74 VanDerWaalsContact C-N 3.28Å; G72-T74 PolarHBondContact O-N 2.62Å |
| 73 | S | 63.3 | Low | 67.2 | Low | 12 Ų | 12 | 89.7 Ų | 89.7 | 8% | 0.084 | 49% | 0.494 | C | S | . | . | trans | -92.9 | 20.2 | -178.7 | -170.2 | 0 | 0 | 0 | 0 | 113.3 | R50 I68 S71 E75 | R50-S73 PolarHBondContact NH1-OG 2.94Å; I68-S73 PolarHBondContact O-N 3.28Å; I68-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact O-N 2.93Å; S73-E75 PolarHBondContact O-N 3.42Å | ||
| 74 | T | 61.8 | Low | 64.6 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | trans | -78.4 | 57.7 | 168.4 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | G72 | G72-T74 VanDerWaalsContact C-N 3.28Å; G72-T74 PolarHBondContact O-N 2.62Å | ||
| 75 | E | 55.8 | Low | 62 | Low | 158 Ų | 158 | 99.7 Ų | 99.7 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | trans | -129.8 | 72.4 | 172.5 | -81.2 | -160.9 | 127.2 | 0 | 0 | 110.1 | S73 | S73-E75 PolarHBondContact O-N 3.42Š| ||
| 76 | E | 52.7 | Low | 59.8 | Low | 158 Ų | 158 | 101.5 Ų | 101.5 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -170.2 | 150 | 140.6 | -108.1 | -173.2 | 110.7 | 0 | 0 | 106.7 | L47 | L47-E76 HydrophobicContact CD1-CB 4.08Š|
| 77 | I | 45.2 | Very low | 57.4 | Low | 164 Ų | 164 | 104.6 Ų | 104.6 | 84% | 0.841 | 60% | 0.602 | S | S | * | * | trans | 77.3 | 58.4 | -169.5 | -39.3 | 160.6 | 0 | 0 | 0 | 114 | ||||
| 78 | L | 37.3 | Very low | 55.1 | Low | 174 Ų | 174 | 110.3 Ų | 110.3 | 91% | 0.911 | 64% | 0.639 | S | S | * | * | trans | -136 | 108.8 | 144.6 | -83.9 | -179 | 0 | 0 | 0 | 109.5 | ||||
| 79 | P | 45.1 | Very low | 53 | Low | 106 Ų | 106 | 116 Ų | 116 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | trans | -81.5 | 127.1 | 171.5 | 31.3 | -30.6 | 0 | 0 | 0 | 110.9 | ||||
| 80 | L | 45.5 | Very low | 50.4 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 88% | 0.88 | 69% | 0.689 | S | S | * | * | trans | 58.7 | 103.8 | 165.1 | -65.8 | 85.2 | 0 | 0 | 0 | 118.1 | ||||
| 81 | S | 35.3 | Very low | 48 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -151.3 | 113.2 | 139.6 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | V83 | S81-V83 PolarHBondContact O-N 3.49Š| ||
| 82 | P | 43.7 | Very low | 45.8 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 118 | 174.6 | 30.2 | -30.8 | 0 | 0 | 0 | 110.4 | ||
| 83 | V | 42.3 | Very low | 44.3 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.1 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | S81 | S81-V83 PolarHBondContact O-N 3.49Š|
| 84 | G | 36.8 | Very low | 43.4 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 168.4 | -160.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 85 | L | 38.1 | Very low | 42.7 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 157.2 | 175.8 | -97.2 | 69.1 | 0 | 0 | 0 | 114.1 | T87 | L85-T87 HydrophobicContact CD2-CG2 4.25Š|
| 86 | P | 43.8 | Very low | 42.6 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -115.3 | 136.6 | 122.6 | -2.1 | 21.6 | 0 | 0 | 0 | 112.3 | |||||
| 87 | T | 39.8 | Very low | 42.8 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -72.4 | 156.8 | 175.1 | 47.1 | 0 | 0 | 0 | 0 | 113.6 | L85 | L85-T87 HydrophobicContact CD2-CG2 4.25Š| ||
| 88 | P | 42 | Very low | 43.5 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | -120 | 149.5 | 126.2 | 35.3 | -31.4 | 0 | 0 | 0 | 112.3 | |||||
| 89 | P | 46.6 | Very low | 44.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -89.8 | 169.7 | -176.9 | 36.4 | -36 | 0 | 0 | 0 | 113.8 | ||||
| 90 | Y | 34.7 | Very low | 45.4 | Very low | 230 Ų | 230 | 130.8 Ų | 130.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 97.3 | 95 | 162.4 | -154.2 | -90.2 | 0 | 0 | 0 | 118.3 | ||||
| 91 | A | 36.9 | Very low | 46.1 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -158 | 137.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | A | 39 | Very low | 47.4 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -16.9 | 138.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 93 | Q | 45.6 | Very low | 48.3 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -60.9 | 132.1 | 159.2 | -70 | -178.9 | -14.4 | 0 | 0 | 111.3 | ||||
| 94 | L | 44.2 | Very low | 49.4 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -132.5 | 124.5 | 154.5 | -73.7 | 174.3 | 0 | 0 | 0 | 108.4 | ||||
| 95 | T | 46.7 | Very low | 51.3 | Low | 133 Ų | 133 | 131.5 Ų | 131.5 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125.2 | -179.9 | 40.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 96 | P | 52.4 | Low | 53.3 | Low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 128 | 177.3 | -15.5 | 30.3 | 0 | 0 | 0 | 112.4 | ||
| 97 | V | 58.4 | Low | 55.3 | Low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 132.6 | 166.8 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 98 | P | 59.8 | Low | 57.4 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 126.2 | 179.8 | 27.7 | -33.8 | 0 | 0 | 0 | 111.9 | ||
| 99 | P | 61.1 | Low | 59.7 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 147.3 | 178.4 | 28.7 | -34 | 0 | 0 | 0 | 112.7 | ||
| 100 | S | 61.5 | Low | 61.9 | Low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132.6 | -175 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | A102 | S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact O-N 3.02Å |
| 101 | K | 60.4 | Low | 64.6 | Low | 188 Ų | 188 | 120 Ų | 120 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -73.5 | -11.1 | -169.6 | -62 | -178.5 | 179.9 | 179.4 | 0 | 115.7 | ||
| 102 | A | 60.9 | Low | 67.3 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -74.6 | -36.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S100 Y104 | S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact O-N 3.02Å; A102-Y104 PolarHBondContact O-N 3.39Å |
| 103 | G | 63.2 | Low | 70 | Confident | 40 Ų | 40 | 120 Ų | 120 | 41% | 0.412 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -74 | -8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W106 R107 | G103-W106 PolarHBondContact O-NE1 3.22Å; G103-R107 WeakPolarHBondContact O-CD 3.42Å |
| 104 | Y | 65.7 | Low | 72.5 | Confident | 154 Ų | 154 | 117 Ų | 117 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -39.7 | -176.5 | -128.9 | -103.5 | 0 | 0 | 0 | 112.3 | A102 W106 R107 D108 | A102-Y104 PolarHBondContact O-N 3.39Å; Y104-W106 PolarHBondContact O-N 3.42Å; Y104-R107 CarbonylContact O-C 3.6Å; Y104-R107 WeakPolarHBondContact O-CA 3.41Å; Y104-R107 WeakPolarHBondContact O-CB 3.45Å; Y104-R107 PolarHBondContact O-N 2.97Å; Y104-D108 WeakPolarHBondContact CD1-OD1 3.44Å; Y104-D108 WeakPolarHBondContact CE1-OD1 3.37Å; Y104-D108 VanDerWaalsContact O-CG 3.23Å; Y104-D108 PolarHBondContact O-N 2.83Å |
| 105 | R | 75.4 | Confident | 74.9 | Confident | 162 Ų | 162 | 114 Ų | 114 | 61% | 0.611 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -42.4 | -167.1 | -56.9 | -67.7 | -96.3 | 176.9 | -6.6 | 114.4 | R107 D108 Y109 | R105-R107 VanDerWaalsContact C-N 3.34Å; R105-D108 WeakPolarHBondContact CA-OD2 3.42Å; R105-D108 WeakPolarHBondContact O-CB 3.48Å; R105-D108 PolarHBondContact O-N 3.45Å; R105-Y109 WeakPolarHBondContact O-CD2 3.26Å; R105-Y109 PolarHBondContact O-N 3.3Å |
| 106 | W | 81.1 | Confident | 77.3 | Confident | 184 Ų | 184 | 113.4 Ų | 113.4 | 70% | 0.697 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.5 | -31.2 | 177.5 | 73.3 | -91.3 | 0 | 0 | 0 | 112.4 | G103 Y104 G110 | G103-W106 PolarHBondContact O-NE1 3.22Å; Y104-W106 PolarHBondContact O-N 3.42Å; W106-G110 PolarHBondContact O-N 3.33Å; W106-G110 VanDerWaalsContact O-N 3.09Å |
| 107 | R | 84.9 | Confident | 79.5 | Confident | 152 Ų | 152 | 112.1 Ų | 112.1 | 57% | 0.574 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.4 | -35.7 | 173.5 | -60.5 | 176.4 | 60.3 | 158.6 | -2.2 | 110.9 | G103 Y104 R105 G110 A111 | G103-R107 WeakPolarHBondContact O-CD 3.42Å; Y104-R107 CarbonylContact O-C 3.6Å; Y104-R107 WeakPolarHBondContact O-CA 3.41Å; Y104-R107 WeakPolarHBondContact O-CB 3.45Å; Y104-R107 PolarHBondContact O-N 2.97Å; R105-R107 VanDerWaalsContact C-N 3.34Å; R107-G110 PolarHBondContact O-N 3.37Å; R107-A111 VanDerWaalsContact O-CB 3.31Å; R107-A111 WeakPolarHBondContact O-CB 3.47Å; R107-A111 PolarHBondContact O-N 2.98Å |
| 108 | D | 84.9 | Confident | 81.3 | Confident | 63 Ų | 63 | 108 Ų | 108 | 34% | 0.337 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.9 | -45 | 174.8 | -60.5 | -36.3 | 0 | 0 | 0 | 111.2 | Y104 R105 A111 L112 | Y104-D108 WeakPolarHBondContact CD1-OD1 3.44Å; Y104-D108 WeakPolarHBondContact CE1-OD1 3.37Å; Y104-D108 VanDerWaalsContact O-CG 3.23Å; Y104-D108 PolarHBondContact O-N 2.83Å; R105-D108 WeakPolarHBondContact CA-OD2 3.42Å; R105-D108 WeakPolarHBondContact O-CB 3.48Å; R105-D108 PolarHBondContact O-N 3.45Å; D108-A111 PolarHBondContact O-N 3.31Å; D108-L112 WeakPolarHBondContact O-CB 3.37Å; D108-L112 PolarHBondContact O-N 2.88Å |
| 109 | Y | 90.9 | Very high | 83.1 | Confident | 147 Ų | 147 | 107.5 Ų | 107.5 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.3 | -40.2 | 175 | -65.8 | -59.7 | 0 | 0 | 0 | 112.5 | R105 L112 T113 | R105-Y109 WeakPolarHBondContact O-CD2 3.26Å; R105-Y109 PolarHBondContact O-N 3.3Å; Y109-L112 PolarHBondContact O-N 3.34Å; Y109-T113 WeakPolarHBondContact O-CG2 3.28Å; Y109-T113 PolarHBondContact O-N 2.88Å; Y109-T113 PolarHBondContact O-OG1 2.85Å |
| 110 | G | 92.8 | Very high | 84.8 | Confident | 31 Ų | 31 | 104.7 Ų | 104.7 | 32% | 0.32 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.2 | -36.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W106 R107 T113 I114 | W106-G110 PolarHBondContact O-N 3.33Å; W106-G110 VanDerWaalsContact O-N 3.09Å; R107-G110 PolarHBondContact O-N 3.37Å; G110-T113 PolarHBondContact O-OG1 2.93Å; G110-T113 VanDerWaalsContact O-OG1 3.05Å; G110-I114 WeakPolarHBondContact O-CD1 3.24Å; G110-I114 VanDerWaalsContact O-CG1 3.29Å; G110-I114 WeakPolarHBondContact O-CG1 3.45Å; G110-I114 PolarHBondContact O-N 3.47Å |
| 111 | A | 91.1 | Very high | 86.4 | Confident | 46 Ų | 46 | 106 Ų | 106 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R107 D108 T113 I114 I115 | R107-A111 VanDerWaalsContact O-CB 3.31Å; R107-A111 WeakPolarHBondContact O-CB 3.47Å; R107-A111 PolarHBondContact O-N 2.98Å; D108-A111 PolarHBondContact O-N 3.31Å; A111-T113 PolarHBondContact O-N 3.42Å; A111-I114 PolarHBondContact O-N 2.88Å; A111-I115 WeakPolarHBondContact O-CB 3.39Å; A111-I115 WeakPolarHBondContact O-CD1 3.46Å; A111-I115 VanDerWaalsContact O-CG1 3.22Å; A111-I115 WeakPolarHBondContact O-CG1 3.32Å; A111-I115 PolarHBondContact O-N 3.25Å |
| 112 | L | 94.1 | Very high | 88.1 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 178.3 | -169.3 | 79.1 | 0 | 0 | 0 | 112 | D108 Y109 I115 M116 | D108-L112 WeakPolarHBondContact O-CB 3.37Å; D108-L112 PolarHBondContact O-N 2.88Å; Y109-L112 PolarHBondContact O-N 3.34Å; L112-I115 PolarHBondContact O-N 3.09Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.29Å; L112-M116 WeakPolarHBondContact O-CG 3.48Å; L112-M116 PolarHBondContact O-N 2.93Å |
| 113 | T | 95.8 | Very high | 89.8 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | Y109 G110 A111 M116 V117 | Y109-T113 WeakPolarHBondContact O-CG2 3.28Å; Y109-T113 PolarHBondContact O-N 2.88Å; Y109-T113 PolarHBondContact O-OG1 2.85Å; G110-T113 PolarHBondContact O-OG1 2.93Å; G110-T113 VanDerWaalsContact O-OG1 3.05Å; A111-T113 PolarHBondContact O-N 3.42Å; T113-M116 PolarHBondContact O-N 2.92Å; T113-V117 WeakPolarHBondContact O-CB 3.48Å; T113-V117 WeakPolarHBondContact O-CG2 3.47Å; T113-V117 PolarHBondContact O-N 3.4Å |
| 114 | I | 96.2 | Very high | 91.3 | Very high | 128 Ų | 128 | 103.1 Ų | 103.1 | 66% | 0.656 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 174.4 | -66.6 | 167.3 | 0 | 0 | 0 | 110.9 | G110 A111 V117 G118 | G110-I114 WeakPolarHBondContact O-CD1 3.24Å; G110-I114 VanDerWaalsContact O-CG1 3.29Å; G110-I114 WeakPolarHBondContact O-CG1 3.45Å; G110-I114 PolarHBondContact O-N 3.47Å; A111-I114 PolarHBondContact O-N 2.88Å; I114-V117 PolarHBondContact O-N 3.43Å; I114-G118 PolarHBondContact O-N 2.57Å |
| 115 | I | 96.3 | Very high | 92.4 | Very high | 98 Ų | 98 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.7 | -69.6 | 163.2 | 0 | 0 | 0 | 110.7 | A111 L112 V117 G118 I119 | A111-I115 WeakPolarHBondContact O-CB 3.39Å; A111-I115 WeakPolarHBondContact O-CD1 3.46Å; A111-I115 VanDerWaalsContact O-CG1 3.22Å; A111-I115 WeakPolarHBondContact O-CG1 3.32Å; A111-I115 PolarHBondContact O-N 3.25Å; L112-I115 PolarHBondContact O-N 3.09Å; I115-V117 PolarHBondContact O-N 2.87Å; I115-G118 PolarHBondContact O-N 2.87Å; I115-I119 HydrophobicContact CG2-CD1 3.71Å; I115-I119 HydrophobicContact CG2-CG1 4.4Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.38Å; I115-I119 PolarHBondContact O-N 3.22Å |
| 116 | M | 96.9 | Very high | 93.2 | Very high | 120 Ų | 120 | 96.5 Ų | 96.5 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 178.3 | -73.9 | -66.8 | -72.5 | 0 | 0 | 112.5 | L112 T113 I119 A120 | L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.29Å; L112-M116 WeakPolarHBondContact O-CG 3.48Å; L112-M116 PolarHBondContact O-N 2.93Å; T113-M116 PolarHBondContact O-N 2.92Å; M116-I119 PolarHBondContact O-N 3.49Å; M116-A120 VanDerWaalsContact O-CB 3.32Å; M116-A120 WeakPolarHBondContact O-CB 3.33Å; M116-A120 PolarHBondContact O-N 2.86Å |
| 117 | V | 97.6 | Very high | 93.6 | Very high | 101 Ų | 101 | 93 Ų | 93 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 173.5 | 169.5 | 0 | 0 | 0 | 0 | 111 | T113 I114 I115 A120 F121 | T113-V117 WeakPolarHBondContact O-CB 3.48Å; T113-V117 WeakPolarHBondContact O-CG2 3.47Å; T113-V117 PolarHBondContact O-N 3.4Å; I114-V117 PolarHBondContact O-N 3.43Å; I115-V117 PolarHBondContact O-N 2.87Å; V117-A120 PolarHBondContact O-N 3.24Å; V117-F121 VanDerWaalsContact O-CB 3.32Å; V117-F121 WeakPolarHBondContact O-CB 3.39Å; V117-F121 PolarHBondContact O-N 2.86Å |
| 118 | G | 97.3 | Very high | 93.7 | Very high | 43 Ų | 43 | 91.5 Ų | 91.5 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I114 I115 F121 G122 | I114-G118 PolarHBondContact O-N 2.57Å; I115-G118 PolarHBondContact O-N 2.87Å; G118-F121 PolarHBondContact O-N 3.46Å; G118-G122 PolarHBondContact O-N 2.97Å |
| 119 | I | 97 | Very high | 93.8 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.8 | -67.6 | 165.7 | 0 | 0 | 0 | 110.5 | I115 M116 F121 G122 F123 | I115-I119 HydrophobicContact CG2-CD1 3.71Å; I115-I119 HydrophobicContact CG2-CG1 4.4Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.38Å; I115-I119 PolarHBondContact O-N 3.22Å; M116-I119 PolarHBondContact O-N 3.49Å; I119-F121 PolarHBondContact O-N 3.16Å; I119-G122 PolarHBondContact O-N 3.33Å; I119-F123 WeakPolarHBondContact O-CB 3.34Å; I119-F123 PolarHBondContact O-N 3.41Å |
| 120 | A | 96.6 | Very high | 93.5 | Very high | 62 Ų | 62 | 96.2 Ų | 96.2 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M116 V117 F123 H124 | M116-A120 VanDerWaalsContact O-CB 3.32Å; M116-A120 WeakPolarHBondContact O-CB 3.33Å; M116-A120 PolarHBondContact O-N 2.86Å; V117-A120 PolarHBondContact O-N 3.24Å; A120-F123 PolarHBondContact O-N 3.47Å; A120-H124 WeakPolarHBondContact O-CB 3.27Å; A120-H124 PolarHBondContact O-N 2.84Å |
| 121 | F | 96.4 | Very high | 93.2 | Very high | 132 Ų | 132 | 97.4 Ų | 97.4 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 175.7 | -173.3 | -99.9 | 0 | 0 | 0 | 112.1 | V117 G118 I119 H124 Q125 | V117-F121 VanDerWaalsContact O-CB 3.32Å; V117-F121 WeakPolarHBondContact O-CB 3.39Å; V117-F121 PolarHBondContact O-N 2.86Å; G118-F121 PolarHBondContact O-N 3.46Å; I119-F121 PolarHBondContact O-N 3.16Å; F121-H124 PolarHBondContact O-N 3.46Å; F121-Q125 HydrophobicContact CD1-CG 4.22Å; F121-Q125 HydrophobicContact CE1-CG 3.89Å; F121-Q125 HydrophobicContact CZ-CG 4.12Å; F121-Q125 WeakPolarHBondContact O-CB 3.45Å; F121-Q125 WeakPolarHBondContact O-CG 3.37Å; F121-Q125 PolarHBondContact O-N 2.85Å |
| 122 | G | 95.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 99.5 Ų | 99.5 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G118 I119 Q125 L126 | G118-G122 PolarHBondContact O-N 2.97Å; I119-G122 PolarHBondContact O-N 3.33Å; G122-Q125 PolarHBondContact O-N 3.36Å; G122-L126 WeakPolarHBondContact O-CB 3.42Å; G122-L126 PolarHBondContact O-N 2.88Å |
| 123 | F | 95.9 | Very high | 92.1 | Very high | 124 Ų | 124 | 98.1 Ų | 98.1 | 54% | 0.544 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 176.5 | -165.2 | -89.4 | 0 | 0 | 0 | 112.2 | I119 A120 Q125 L126 Y127 | I119-F123 WeakPolarHBondContact O-CB 3.34Å; I119-F123 PolarHBondContact O-N 3.41Å; A120-F123 PolarHBondContact O-N 3.47Å; F123-Q125 VanDerWaalsContact C-N 3.35Å; F123-Q125 PolarHBondContact O-N 3.25Å; F123-L126 PolarHBondContact O-N 3.07Å; F123-Y127 VanDerWaalsContact O-CB 3.28Å; F123-Y127 WeakPolarHBondContact O-CB 3.34Å; F123-Y127 PolarHBondContact O-N 3.27Å |
| 124 | H | 94.5 | Very high | 91.3 | Very high | 91 Ų | 91 | 100.6 Ų | 100.6 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.6 | 171.8 | -96.5 | 0 | 0 | 0 | 112.1 | A120 F121 Y127 K128 | A120-H124 WeakPolarHBondContact O-CB 3.27Å; A120-H124 PolarHBondContact O-N 2.84Å; F121-H124 PolarHBondContact O-N 3.46Å; H124-Y127 PolarHBondContact O-N 3.46Å; H124-K128 PolarHBondContact O-N 3.22Å |
| 125 | Q | 89.8 | Confident | 90.6 | Very high | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 173.9 | -72 | -76.5 | 45.7 | 0 | 0 | 111.3 | F121 G122 F123 Y127 K128 K129 | F121-Q125 HydrophobicContact CD1-CG 4.22Å; F121-Q125 HydrophobicContact CE1-CG 3.89Å; F121-Q125 HydrophobicContact CZ-CG 4.12Å; F121-Q125 WeakPolarHBondContact O-CB 3.45Å; F121-Q125 WeakPolarHBondContact O-CG 3.37Å; F121-Q125 PolarHBondContact O-N 2.85Å; G122-Q125 PolarHBondContact O-N 3.36Å; F123-Q125 VanDerWaalsContact C-N 3.35Å; F123-Q125 PolarHBondContact O-N 3.25Å; Q125-Y127 VanDerWaalsContact C-N 3.29Å; Q125-Y127 PolarHBondContact O-N 2.87Å; Q125-K128 PolarHBondContact O-N 2.87Å; Q125-K129 WeakPolarHBondContact O-CB 3.43Å; Q125-K129 PolarHBondContact O-N 2.67Å |
| 126 | L | 91.1 | Very high | 89.6 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 45% | 0.45 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.6 | -43.7 | 176 | -173.2 | 72.2 | 0 | 0 | 0 | 111.5 | G122 F123 K129 Y130 I131 | G122-L126 WeakPolarHBondContact O-CB 3.42Å; G122-L126 PolarHBondContact O-N 2.88Å; F123-L126 PolarHBondContact O-N 3.07Å; L126-K129 PolarHBondContact O-N 3.28Å; L126-Y130 HydrophobicContact CD1-CD2 3.68Å; L126-Y130 HydrophobicContact CD1-CE2 4.17Å; L126-Y130 HydrophobicContact CD1-CG 4.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.32Å; L126-Y130 PolarHBondContact O-N 3.44Å; L126-I131 PolarHBondContact O-N 3.49Å |
| 127 | Y | 90.2 | Very high | 88.5 | Confident | 109 Ų | 109 | 94 Ų | 94 | 43% | 0.427 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -60.6 | -49.8 | 177.4 | -175.3 | -90.4 | 0 | 0 | 0 | 111.9 | F123 H124 Q125 I131 L132 | F123-Y127 VanDerWaalsContact O-CB 3.28Å; F123-Y127 WeakPolarHBondContact O-CB 3.34Å; F123-Y127 PolarHBondContact O-N 3.27Å; H124-Y127 PolarHBondContact O-N 3.46Å; Q125-Y127 VanDerWaalsContact C-N 3.29Å; Q125-Y127 PolarHBondContact O-N 2.87Å; Y127-I131 HydrophobicContact CD2-CB 3.98Å; Y127-I131 HydrophobicContact CD2-CD1 3.83Å; Y127-I131 HydrophobicContact CD2-CG1 4.46Å; Y127-I131 HydrophobicContact CD2-CG2 3.9Å; Y127-I131 HydrophobicContact CE2-CB 4.38Å; Y127-I131 HydrophobicContact CE2-CG2 3.83Å; Y127-I131 HydrophobicContact CG-CB 4.41Å; Y127-I131 WeakPolarHBondContact O-CB 3.36Å; Y127-I131 PolarHBondContact O-N 2.81Å; Y127-L132 PolarHBondContact O-N 3.38Å |
| 128 | K | 87.4 | Confident | 87.2 | Confident | 122 Ų | 122 | 91.6 Ų | 91.6 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -69.2 | -37.9 | 177.9 | -80.3 | -159.6 | 175 | -171.1 | 0 | 114 | H124 Q125 | H124-K128 PolarHBondContact O-N 3.22Å; Q125-K128 PolarHBondContact O-N 2.87Å |
| 129 | K | 86.3 | Confident | 85.9 | Confident | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 48% | 0.48 | S | S | * | . | I | π-helix | trans | -83.8 | -25.6 | -174.2 | -110.4 | -78.4 | -172.3 | 171.6 | 0 | 114.3 | Q125 L126 P133 | Q125-K129 WeakPolarHBondContact O-CB 3.43Å; Q125-K129 PolarHBondContact O-N 2.67Å; L126-K129 PolarHBondContact O-N 3.28Å; K129-P133 WeakPolarHBondContact O-CG 3.35Å |
| 130 | Y | 84.6 | Confident | 84.9 | Confident | 157 Ų | 157 | 95.1 Ų | 95.1 | 62% | 0.616 | 47% | 0.473 | S | S | * | . | I | π-helix | trans | -127.1 | -47.9 | -173.2 | -62.6 | -92.2 | 0 | 0 | 0 | 113.3 | L126 P133 L134 | L126-Y130 HydrophobicContact CD1-CD2 3.68Å; L126-Y130 HydrophobicContact CD1-CE2 4.17Å; L126-Y130 HydrophobicContact CD1-CG 4.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.32Å; L126-Y130 PolarHBondContact O-N 3.44Å; Y130-P133 WeakPolarHBondContact O-CD 3.23Å; Y130-P133 WeakPolarHBondContact O-CG 3.25Å; Y130-L134 VanDerWaalsContact O-CB 3.24Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 PolarHBondContact O-N 2.98Å |
| 131 | I | 86.1 | Confident | 83.9 | Confident | 57 Ų | 57 | 97 Ų | 97 | 29% | 0.292 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -71.6 | -41.8 | -176.7 | -60.2 | 175.7 | 0 | 0 | 0 | 111 | L126 Y127 L134 I135 | L126-I131 PolarHBondContact O-N 3.49Å; Y127-I131 HydrophobicContact CD2-CB 3.98Å; Y127-I131 HydrophobicContact CD2-CD1 3.83Å; Y127-I131 HydrophobicContact CD2-CG1 4.46Å; Y127-I131 HydrophobicContact CD2-CG2 3.9Å; Y127-I131 HydrophobicContact CE2-CB 4.38Å; Y127-I131 HydrophobicContact CE2-CG2 3.83Å; Y127-I131 HydrophobicContact CG-CB 4.41Å; Y127-I131 WeakPolarHBondContact O-CB 3.36Å; Y127-I131 PolarHBondContact O-N 2.81Å; I131-L134 PolarHBondContact O-N 2.73Å; I131-I135 HydrophobicContact CG2-CD1 3.61Å; I131-I135 HydrophobicContact CG2-CG1 4.3Å; I131-I135 WeakPolarHBondContact O-CB 3.44Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 3.11Å |
| 132 | L | 81.9 | Confident | 83.1 | Confident | 90 Ų | 90 | 97.2 Ų | 97.2 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 178.9 | -166.7 | 68.8 | 0 | 0 | 0 | 114 | Y127 L134 I135 M136 | Y127-L132 PolarHBondContact O-N 3.38Å; L132-L134 VanDerWaalsContact C-N 3.32Å; L132-L134 PolarHBondContact O-N 3.28Å; L132-I135 PolarHBondContact O-N 2.82Å; L132-M136 WeakPolarHBondContact O-CB 3.43Å; L132-M136 PolarHBondContact O-N 3.4Å |
| 133 | P | 80.9 | Confident | 82.4 | Confident | 72 Ų | 72 | 100.3 Ų | 100.3 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -30 | 175.4 | 25 | -33.5 | 0 | 0 | 0 | 113.1 | K129 Y130 M136 G137 | K129-P133 WeakPolarHBondContact O-CG 3.35Å; Y130-P133 WeakPolarHBondContact O-CD 3.23Å; Y130-P133 WeakPolarHBondContact O-CG 3.25Å; P133-M136 PolarHBondContact O-N 2.85Å; P133-G137 PolarHBondContact O-N 3.31Å |
| 134 | L | 79.7 | Confident | 81.7 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 71% | 0.707 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.9 | -39.8 | 176.5 | -163.6 | 72.6 | 0 | 0 | 0 | 111.9 | Y130 I131 L132 S138 | Y130-L134 VanDerWaalsContact O-CB 3.24Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 PolarHBondContact O-N 2.98Å; I131-L134 PolarHBondContact O-N 2.73Å; L132-L134 VanDerWaalsContact C-N 3.32Å; L132-L134 PolarHBondContact O-N 3.28Å; L134-S138 WeakPolarHBondContact O-CB 3.3Å; L134-S138 PolarHBondContact O-N 3.47Å |
| 135 | I | 81.3 | Confident | 81.2 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 173.7 | -73.4 | 173.7 | 0 | 0 | 0 | 111.5 | I131 L132 S138 R139 | I131-I135 HydrophobicContact CG2-CD1 3.61Å; I131-I135 HydrophobicContact CG2-CG1 4.3Å; I131-I135 WeakPolarHBondContact O-CB 3.44Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 3.11Å; L132-I135 PolarHBondContact O-N 2.82Å; I135-S138 PolarHBondContact O-N 3.36Å; I135-R139 WeakPolarHBondContact O-CG 3.45Å; I135-R139 PolarHBondContact O-N 3.49Å |
| 136 | M | 73.6 | Confident | 80.9 | Confident | 94 Ų | 94 | 101.7 Ų | 101.7 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 173.3 | -150.8 | 72.1 | 163.5 | 0 | 0 | 110.1 | L132 P133 S138 R139 E140 | L132-M136 WeakPolarHBondContact O-CB 3.43Å; L132-M136 PolarHBondContact O-N 3.4Å; P133-M136 PolarHBondContact O-N 2.85Å; M136-S138 VanDerWaalsContact C-N 3.28Å; M136-S138 PolarHBondContact O-N 3.44Å; M136-R139 WeakPolarHBondContact O-CA 3.23Å; M136-R139 VanDerWaalsContact O-CB 3.25Å; M136-R139 WeakPolarHBondContact O-CB 3.4Å; M136-R139 PolarHBondContact O-N 2.97Å; M136-R139 PolarHBondContact SD-NH1 2.84Å; M136-R139 VanDerWaalsContact SD-NH1 3.4Å; M136-E140 VanDerWaalsContact C-OE2 3.24Å; M136-E140 PolarHBondContact O-N 2.8Å |
| 137 | G | 74.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 105.4 Ų | 105.4 | 27% | 0.268 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -52.4 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | P133 R139 E140 D141 | P133-G137 PolarHBondContact O-N 3.31Å; G137-R139 PolarHBondContact O-N 2.91Å; G137-R139 VanDerWaalsContact O-N 3.16Å; G137-E140 CarbonylContact O-C 3.54Å; G137-E140 WeakPolarHBondContact O-CA 3.27Å; G137-E140 WeakPolarHBondContact O-CB 3.29Å; G137-E140 PolarHBondContact O-N 2.86Å; G137-D141 VanDerWaalsContact O-CG 3.31Å; G137-D141 PolarHBondContact O-N 2.81Å |
| 138 | S | 70.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -26.3 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 114.1 | L134 I135 M136 K142 | L134-S138 WeakPolarHBondContact O-CB 3.3Å; L134-S138 PolarHBondContact O-N 3.47Å; I135-S138 PolarHBondContact O-N 3.36Å; M136-S138 VanDerWaalsContact C-N 3.28Å; M136-S138 PolarHBondContact O-N 3.44Å; S138-K142 VanDerWaalsContact O-CG 3.27Å; S138-K142 WeakPolarHBondContact O-CG 3.36Å; S138-K142 PolarHBondContact O-N 3.45Å; S138-K142 VanDerWaalsContact O-N 3.15Å |
| 139 | R | 69.8 | Low | 79.8 | Confident | 134 Ų | 134 | 104.6 Ų | 104.6 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.4 | -28.6 | 172 | -60.7 | 170.8 | 73.4 | -146.8 | 4.4 | 112.4 | I135 M136 G137 K143 | I135-R139 WeakPolarHBondContact O-CG 3.45Å; I135-R139 PolarHBondContact O-N 3.49Å; M136-R139 WeakPolarHBondContact O-CA 3.23Å; M136-R139 VanDerWaalsContact O-CB 3.25Å; M136-R139 WeakPolarHBondContact O-CB 3.4Å; M136-R139 PolarHBondContact O-N 2.97Å; M136-R139 PolarHBondContact SD-NH1 2.84Å; M136-R139 VanDerWaalsContact SD-NH1 3.4Å; G137-R139 PolarHBondContact O-N 2.91Å; G137-R139 VanDerWaalsContact O-N 3.16Å; R139-K143 WeakPolarHBondContact O-CG 3.41Å |
| 140 | E | 75.7 | Confident | 79.7 | Confident | 86 Ų | 86 | 100.9 Ų | 100.9 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.8 | -42.7 | 168.7 | -79.7 | 69.5 | -104.3 | 0 | 0 | 110.8 | M136 G137 K142 K143 H144 | M136-E140 VanDerWaalsContact C-OE2 3.24Å; M136-E140 PolarHBondContact O-N 2.8Å; G137-E140 CarbonylContact O-C 3.54Å; G137-E140 WeakPolarHBondContact O-CA 3.27Å; G137-E140 WeakPolarHBondContact O-CB 3.29Å; G137-E140 PolarHBondContact O-N 2.86Å; E140-K142 VanDerWaalsContact C-N 3.32Å; E140-K142 PolarHBondContact O-N 2.76Å; E140-K143 WeakPolarHBondContact O-CB 2.93Å; E140-K143 PolarHBondContact O-N 3.29Å; E140-K143 IonicContact OE1-NZ 3.39Å; E140-K143 PolarHBondContact OE1-NZ 2.78Å; E140-H144 PolarHBondContact O-N 2.81Å |
| 141 | D | 76.2 | Confident | 79.8 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 176.9 | -62.9 | -32.5 | 0 | 0 | 0 | 111.9 | G137 K143 H144 L145 | G137-D141 VanDerWaalsContact O-CG 3.31Å; G137-D141 PolarHBondContact O-N 2.81Å; D141-K143 VanDerWaalsContact C-N 3.3Å; D141-K143 PolarHBondContact O-N 2.88Å; D141-H144 CarbonylContact O-C 3.54Å; D141-H144 WeakPolarHBondContact O-CA 3.34Å; D141-H144 WeakPolarHBondContact O-CB 3.47Å; D141-H144 PolarHBondContact O-N 3.42Å; D141-L145 PolarHBondContact O-N 3.3Å |
| 142 | K | 79.4 | Confident | 79.6 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -37.9 | 173.3 | -75.2 | 169.4 | -172.7 | -173.9 | 0 | 112.8 | S138 E140 H144 Q146 | S138-K142 VanDerWaalsContact O-CG 3.27Å; S138-K142 WeakPolarHBondContact O-CG 3.36Å; S138-K142 PolarHBondContact O-N 3.45Å; S138-K142 VanDerWaalsContact O-N 3.15Å; E140-K142 VanDerWaalsContact C-N 3.32Å; E140-K142 PolarHBondContact O-N 2.76Å; K142-H144 VanDerWaalsContact C-N 3.3Å; K142-Q146 WeakPolarHBondContact O-CB 3.42Å; K142-Q146 PolarHBondContact O-N 2.93Å |
| 143 | K | 81.2 | Confident | 79.7 | Confident | 103 Ų | 103 | 99 Ų | 99 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.1 | -25.8 | 173.8 | -60.7 | 165 | -171.9 | 160.9 | 0 | 111.8 | R139 E140 D141 R147 | R139-K143 WeakPolarHBondContact O-CG 3.41Å; E140-K143 WeakPolarHBondContact O-CB 2.93Å; E140-K143 PolarHBondContact O-N 3.29Å; E140-K143 IonicContact OE1-NZ 3.39Å; E140-K143 PolarHBondContact OE1-NZ 2.78Å; D141-K143 VanDerWaalsContact C-N 3.3Å; D141-K143 PolarHBondContact O-N 2.88Å; K143-R147 WeakPolarHBondContact O-CG 3.46Å; K143-R147 PolarHBondContact O-N 3.24Å; K143-R147 PolarHBondContact O-NH1 3.46Å |
| 144 | H | 81.6 | Confident | 79.7 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75 | -44.4 | 173.7 | -165.2 | -86.2 | 0 | 0 | 0 | 111.1 | E140 D141 K142 Q146 R147 M148 | E140-H144 PolarHBondContact O-N 2.81Å; D141-H144 CarbonylContact O-C 3.54Å; D141-H144 WeakPolarHBondContact O-CA 3.34Å; D141-H144 WeakPolarHBondContact O-CB 3.47Å; D141-H144 PolarHBondContact O-N 3.42Å; K142-H144 VanDerWaalsContact C-N 3.3Å; H144-Q146 PolarHBondContact O-N 2.62Å; H144-R147 PolarHBondContact O-N 2.93Å; H144-M148 PolarHBondContact O-N 2.83Å |
| 145 | L | 82.7 | Confident | 79.7 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.5 | -50.3 | 170.9 | -114.3 | 67.8 | 0 | 0 | 0 | 111.1 | D141 R147 M148 E149 | D141-L145 PolarHBondContact O-N 3.3Å; L145-R147 VanDerWaalsContact C-N 3.27Å; L145-R147 PolarHBondContact O-N 2.93Å; L145-M148 HydrophobicContact CD1-CE 4.38Å; L145-M148 CarbonylContact O-C 3.55Å; L145-M148 WeakPolarHBondContact O-CA 3.27Å; L145-M148 WeakPolarHBondContact O-CB 3.3Å; L145-M148 PolarHBondContact O-N 3.38Å; L145-E149 WeakPolarHBondContact O-CB 3.45Å; L145-E149 WeakPolarHBondContact O-CG 3.39Å; L145-E149 PolarHBondContact O-N 2.98Å |
| 146 | Q | 84.9 | Confident | 79.7 | Confident | 130 Ų | 130 | 96 Ų | 96 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -34.1 | 178.9 | -165.8 | 179.9 | 13.9 | 0 | 0 | 113 | K142 H144 S150 | K142-Q146 WeakPolarHBondContact O-CB 3.42Å; K142-Q146 PolarHBondContact O-N 2.93Å; H144-Q146 PolarHBondContact O-N 2.62Å; Q146-S150 WeakPolarHBondContact O-CB 3.36Å; Q146-S150 PolarHBondContact O-N 3.04Å; Q146-S150 PolarHBondContact O-OG 2.7Å |
| 147 | R | 83.1 | Confident | 80.4 | Confident | 164 Ų | 164 | 93.2 Ų | 93.2 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | 171.4 | -76.8 | -171.7 | -167.7 | 94.7 | -10.4 | 112.1 | K143 H144 L145 S150 N151 | K143-R147 WeakPolarHBondContact O-CG 3.46Å; K143-R147 PolarHBondContact O-N 3.24Å; K143-R147 PolarHBondContact O-NH1 3.46Å; H144-R147 PolarHBondContact O-N 2.93Å; L145-R147 VanDerWaalsContact C-N 3.27Å; L145-R147 PolarHBondContact O-N 2.93Å; R147-S150 WeakPolarHBondContact CA-OG 3.38Å; R147-S150 PolarHBondContact O-N 3.25Å; R147-S150 PolarHBondContact O-OG 3.01Å; R147-N151 VanDerWaalsContact O-CB 3.31Å; R147-N151 WeakPolarHBondContact O-CB 3.46Å; R147-N151 PolarHBondContact O-N 3.41Å |
| 148 | M | 76.6 | Confident | 81.1 | Confident | 98 Ų | 98 | 96.1 Ų | 96.1 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 178.1 | -164.8 | 166.4 | 70.1 | 0 | 0 | 111.3 | H144 L145 N151 I152 | H144-M148 PolarHBondContact O-N 2.83Å; L145-M148 HydrophobicContact CD1-CE 4.38Å; L145-M148 CarbonylContact O-C 3.55Å; L145-M148 WeakPolarHBondContact O-CA 3.27Å; L145-M148 WeakPolarHBondContact O-CB 3.3Å; L145-M148 PolarHBondContact O-N 3.38Å; M148-N151 PolarHBondContact O-N 2.9Å; M148-I152 HydrophobicContact CG-CD1 4.06Å; M148-I152 WeakPolarHBondContact O-CB 3.44Å; M148-I152 VanDerWaalsContact O-CG1 3.23Å; M148-I152 WeakPolarHBondContact O-CG1 3.34Å; M148-I152 PolarHBondContact O-N 3.09Å |
| 149 | E | 85.4 | Confident | 81.9 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 171 | -72.1 | 165.7 | -174.6 | 0 | 0 | 111.4 | L145 N151 I152 A153 | L145-E149 WeakPolarHBondContact O-CB 3.45Å; L145-E149 WeakPolarHBondContact O-CG 3.39Å; L145-E149 PolarHBondContact O-N 2.98Å; E149-N151 VanDerWaalsContact C-N 3.31Å; E149-N151 PolarHBondContact O-N 2.97Å; E149-I152 PolarHBondContact O-N 3.4Å; E149-A153 WeakPolarHBondContact O-CB 3.37Å; E149-A153 PolarHBondContact O-N 2.64Å |
| 150 | S | 84.8 | Confident | 82.8 | Confident | 73 Ų | 73 | 96.1 Ų | 96.1 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 177.8 | 71.9 | 0 | 0 | 0 | 0 | 113 | Q146 R147 A154 | Q146-S150 WeakPolarHBondContact O-CB 3.36Å; Q146-S150 PolarHBondContact O-N 3.04Å; Q146-S150 PolarHBondContact O-OG 2.7Å; R147-S150 WeakPolarHBondContact CA-OG 3.38Å; R147-S150 PolarHBondContact O-N 3.25Å; R147-S150 PolarHBondContact O-OG 3.01Å; S150-A154 WeakPolarHBondContact O-CB 3.5Å; S150-A154 PolarHBondContact O-N 3.41Å |
| 151 | N | 85.3 | Confident | 83.6 | Confident | 107 Ų | 107 | 98.5 Ų | 98.5 | 57% | 0.572 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.5 | -43.5 | 174.5 | -169.3 | -76.8 | 0 | 0 | 0 | 111.2 | R147 M148 E149 A154 M155 | R147-N151 VanDerWaalsContact O-CB 3.31Å; R147-N151 WeakPolarHBondContact O-CB 3.46Å; R147-N151 PolarHBondContact O-N 3.41Å; M148-N151 PolarHBondContact O-N 2.9Å; E149-N151 VanDerWaalsContact C-N 3.31Å; E149-N151 PolarHBondContact O-N 2.97Å; N151-A154 PolarHBondContact O-N 2.98Å; N151-M155 WeakPolarHBondContact O-CB 3.35Å; N151-M155 PolarHBondContact O-N 3.5Å |
| 152 | I | 81.8 | Confident | 84.2 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 174.6 | -71.6 | 164.5 | 0 | 0 | 0 | 110.7 | M148 E149 M155 S156 | M148-I152 HydrophobicContact CG-CD1 4.06Å; M148-I152 WeakPolarHBondContact O-CB 3.44Å; M148-I152 VanDerWaalsContact O-CG1 3.23Å; M148-I152 WeakPolarHBondContact O-CG1 3.34Å; M148-I152 PolarHBondContact O-N 3.09Å; E149-I152 PolarHBondContact O-N 3.4Å; I152-M155 CarbonylContact O-C 3.56Å; I152-M155 PolarHBondContact O-N 2.77Å; I152-S156 WeakPolarHBondContact O-CB 3.36Å; I152-S156 PolarHBondContact O-N 3.1Å; I152-S156 PolarHBondContact O-OG 2.99Å |
| 153 | A | 85.8 | Confident | 84.9 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E149 S156 G157 | E149-A153 WeakPolarHBondContact O-CB 3.37Å; E149-A153 PolarHBondContact O-N 2.64Å; A153-S156 WeakPolarHBondContact CA-OG 3.4Å; A153-S156 PolarHBondContact O-N 3.39Å; A153-S156 PolarHBondContact O-OG 3.3Å; A153-G157 PolarHBondContact O-N 3.13Å |
| 154 | A | 81.2 | Confident | 85.5 | Confident | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S150 N151 G157 T158 | S150-A154 WeakPolarHBondContact O-CB 3.5Å; S150-A154 PolarHBondContact O-N 3.41Å; N151-A154 PolarHBondContact O-N 2.98Å; A154-G157 PolarHBondContact O-N 3.4Å; A154-T158 PolarHBondContact O-N 2.83Å; A154-T158 PolarHBondContact O-OG1 2.79Å |
| 155 | M | 79.1 | Confident | 86.1 | Confident | 113 Ų | 113 | 92.4 Ų | 92.4 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.6 | -37.3 | 175.7 | -172.5 | 174.7 | 179.3 | 0 | 0 | 111.7 | N151 I152 T158 L159 | N151-M155 WeakPolarHBondContact O-CB 3.35Å; N151-M155 PolarHBondContact O-N 3.5Å; I152-M155 CarbonylContact O-C 3.56Å; I152-M155 PolarHBondContact O-N 2.77Å; M155-T158 PolarHBondContact O-N 3.31Å; M155-L159 HydrophobicContact CG-CD1 4.34Å; M155-L159 WeakPolarHBondContact O-CB 3.44Å; M155-L159 WeakPolarHBondContact O-CG 3.44Å; M155-L159 PolarHBondContact O-N 2.61Å |
| 156 | S | 80.3 | Confident | 86.7 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 172.4 | 69.2 | 0 | 0 | 0 | 0 | 111 | I152 A153 L159 T160 | I152-S156 WeakPolarHBondContact O-CB 3.36Å; I152-S156 PolarHBondContact O-N 3.1Å; I152-S156 PolarHBondContact O-OG 2.99Å; A153-S156 WeakPolarHBondContact CA-OG 3.4Å; A153-S156 PolarHBondContact O-N 3.39Å; A153-S156 PolarHBondContact O-OG 3.3Å; S156-L159 PolarHBondContact O-N 3.31Å; S156-T160 WeakPolarHBondContact O-CB 3.19Å; S156-T160 PolarHBondContact O-N 3.41Å; S156-T160 PolarHBondContact O-OG1 3.47Å |
| 157 | G | 89.2 | Confident | 87.1 | Confident | 37 Ų | 37 | 93.1 Ų | 93.1 | 38% | 0.381 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A153 A154 T160 Q161 | A153-G157 PolarHBondContact O-N 3.13Å; A154-G157 PolarHBondContact O-N 3.4Å; G157-T160 PolarHBondContact O-N 2.95Å; G157-Q161 VanDerWaalsContact O-CB 3.27Å; G157-Q161 WeakPolarHBondContact O-CB 3.44Å; G157-Q161 PolarHBondContact O-N 2.77Å |
| 158 | T | 88.3 | Confident | 87.7 | Confident | 86 Ų | 86 | 91.9 Ų | 91.9 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.3 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | A154 M155 Q161 T162 | A154-T158 PolarHBondContact O-N 2.83Å; A154-T158 PolarHBondContact O-OG1 2.79Å; M155-T158 PolarHBondContact O-N 3.31Å; T158-Q161 PolarHBondContact O-N 3.29Å; T158-T162 WeakPolarHBondContact O-CG2 3.22Å; T158-T162 PolarHBondContact O-N 2.98Å; T158-T162 PolarHBondContact O-OG1 2.89Å |
| 159 | L | 87.6 | Confident | 88.4 | Confident | 95 Ų | 95 | 90.3 Ų | 90.3 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 178.3 | -77.2 | 167.3 | 0 | 0 | 0 | 111.5 | M155 S156 Q161 T162 V163 | M155-L159 HydrophobicContact CG-CD1 4.34Å; M155-L159 WeakPolarHBondContact O-CB 3.44Å; M155-L159 WeakPolarHBondContact O-CG 3.44Å; M155-L159 PolarHBondContact O-N 2.61Å; S156-L159 PolarHBondContact O-N 3.31Å; L159-Q161 VanDerWaalsContact C-N 3.29Å; L159-Q161 PolarHBondContact O-N 2.99Å; L159-T162 WeakPolarHBondContact CA-OG1 3.5Å; L159-T162 PolarHBondContact O-N 3.41Å; L159-T162 VanDerWaalsContact O-N 3.11Å; L159-T162 PolarHBondContact O-OG1 3.26Å; L159-V163 WeakPolarHBondContact O-CG2 3.27Å; L159-V163 PolarHBondContact O-N 3.21Å |
| 160 | T | 89.8 | Confident | 88.8 | Confident | 89 Ų | 89 | 90.5 Ų | 90.5 | 55% | 0.546 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 174.4 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | S156 G157 T162 V163 T164 | S156-T160 WeakPolarHBondContact O-CB 3.19Å; S156-T160 PolarHBondContact O-N 3.41Å; S156-T160 PolarHBondContact O-OG1 3.47Å; G157-T160 PolarHBondContact O-N 2.95Å; T160-T162 PolarHBondContact O-N 2.94Å; T160-V163 PolarHBondContact O-N 2.97Å; T160-T164 PolarHBondContact O-N 3.25Å; T160-T164 PolarHBondContact O-OG1 2.88Å; T160-T164 VanDerWaalsContact O-OG1 3.07Å |
| 161 | Q | 91.4 | Very high | 89.2 | Confident | 136 Ų | 136 | 91.3 Ų | 91.3 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 175.2 | -174.7 | 175.1 | -45.1 | 0 | 0 | 112.1 | G157 T158 L159 T164 Q165 | G157-Q161 VanDerWaalsContact O-CB 3.27Å; G157-Q161 WeakPolarHBondContact O-CB 3.44Å; G157-Q161 PolarHBondContact O-N 2.77Å; T158-Q161 PolarHBondContact O-N 3.29Å; L159-Q161 VanDerWaalsContact C-N 3.29Å; L159-Q161 PolarHBondContact O-N 2.99Å; Q161-T164 PolarHBondContact O-N 3.47Å; Q161-Q165 VanDerWaalsContact O-CB 3.25Å; Q161-Q165 WeakPolarHBondContact O-CB 3.43Å; Q161-Q165 PolarHBondContact O-N 3.16Å |
| 162 | T | 89.6 | Confident | 89.7 | Confident | 59 Ų | 59 | 91.2 Ų | 91.2 | 36% | 0.362 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 174.4 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | T158 L159 T160 Q165 L166 | T158-T162 WeakPolarHBondContact O-CG2 3.22Å; T158-T162 PolarHBondContact O-N 2.98Å; T158-T162 PolarHBondContact O-OG1 2.89Å; L159-T162 WeakPolarHBondContact CA-OG1 3.5Å; L159-T162 PolarHBondContact O-N 3.41Å; L159-T162 VanDerWaalsContact O-N 3.11Å; L159-T162 PolarHBondContact O-OG1 3.26Å; T160-T162 PolarHBondContact O-N 2.94Å; T162-Q165 PolarHBondContact O-N 3Å; T162-L166 WeakPolarHBondContact O-CB 3.45Å; T162-L166 VanDerWaalsContact O-CG 3.23Å; T162-L166 WeakPolarHBondContact O-CG 3.46Å; T162-L166 PolarHBondContact O-N 2.98Å |
| 163 | V | 94.1 | Very high | 90.4 | Very high | 79 Ų | 79 | 90.7 Ų | 90.7 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L159 T160 L166 Q167 | L159-V163 WeakPolarHBondContact O-CG2 3.27Å; L159-V163 PolarHBondContact O-N 3.21Å; T160-V163 PolarHBondContact O-N 2.97Å; V163-L166 PolarHBondContact O-N 3.36Å; V163-Q167 PolarHBondContact O-N 3.4Å |
| 164 | T | 93.3 | Very high | 90.7 | Very high | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 174 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | T160 Q161 L166 Q167 Q168 | T160-T164 PolarHBondContact O-N 3.25Å; T160-T164 PolarHBondContact O-OG1 2.88Å; T160-T164 VanDerWaalsContact O-OG1 3.07Å; Q161-T164 PolarHBondContact O-N 3.47Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 3.26Å; T164-Q167 PolarHBondContact O-N 3.04Å; T164-Q168 VanDerWaalsContact O-CB 3.32Å; T164-Q168 WeakPolarHBondContact O-CB 3.3Å; T164-Q168 PolarHBondContact O-N 2.99Å |
| 165 | Q | 94.3 | Very high | 91.4 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.7 | -176.5 | 178.2 | -9.3 | 0 | 0 | 111.8 | Q161 T162 Q168 T169 | Q161-Q165 VanDerWaalsContact O-CB 3.25Å; Q161-Q165 WeakPolarHBondContact O-CB 3.43Å; Q161-Q165 PolarHBondContact O-N 3.16Å; T162-Q165 PolarHBondContact O-N 3Å; Q165-Q168 PolarHBondContact O-N 2.81Å; Q165-T169 WeakPolarHBondContact O-CB 3.37Å; Q165-T169 PolarHBondContact O-N 3.21Å; Q165-T169 PolarHBondContact O-OG1 2.72Å |
| 166 | L | 94.3 | Very high | 92.1 | Very high | 109 Ų | 109 | 96 Ų | 96 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 174.6 | -75.7 | 170.9 | 0 | 0 | 0 | 111.7 | T162 V163 T164 Q168 T169 L170 | T162-L166 WeakPolarHBondContact O-CB 3.45Å; T162-L166 VanDerWaalsContact O-CG 3.23Å; T162-L166 WeakPolarHBondContact O-CG 3.46Å; T162-L166 PolarHBondContact O-N 2.98Å; V163-L166 PolarHBondContact O-N 3.36Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 3.26Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-Q168 PolarHBondContact O-N 3.45Å; L166-T169 PolarHBondContact O-N 2.83Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.43Å |
| 167 | Q | 94.2 | Very high | 92.6 | Very high | 127 Ų | 127 | 98.5 Ų | 98.5 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.2 | -46.4 | 172.9 | -79.1 | -171.1 | -2.9 | 0 | 0 | 111.6 | V163 T164 T169 L170 V171 | V163-Q167 PolarHBondContact O-N 3.4Å; T164-Q167 PolarHBondContact O-N 3.04Å; Q167-T169 VanDerWaalsContact C-N 3.3Å; Q167-T169 PolarHBondContact O-N 2.83Å; Q167-L170 WeakPolarHBondContact O-CB 3.37Å; Q167-L170 PolarHBondContact O-N 3.48Å; Q167-L170 VanDerWaalsContact O-N 3.16Å; Q167-V171 WeakPolarHBondContact O-CG2 3.36Å; Q167-V171 PolarHBondContact O-N 2.98Å |
| 168 | Q | 94.9 | Very high | 92.9 | Very high | 138 Ų | 138 | 100.3 Ų | 100.3 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -34.6 | 179.1 | -167.6 | 169.3 | 1.2 | 0 | 0 | 111.9 | T164 Q165 L166 H172 | T164-Q168 VanDerWaalsContact O-CB 3.32Å; T164-Q168 WeakPolarHBondContact O-CB 3.3Å; T164-Q168 PolarHBondContact O-N 2.99Å; Q165-Q168 PolarHBondContact O-N 2.81Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-Q168 PolarHBondContact O-N 3.45Å; Q168-H172 WeakPolarHBondContact O-CB 3.31Å; Q168-H172 PolarHBondContact O-N 3.24Å |
| 169 | T | 92.6 | Very high | 93.2 | Very high | 65 Ų | 65 | 102.2 Ų | 102.2 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 172.4 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | Q165 L166 Q167 H172 I173 | Q165-T169 WeakPolarHBondContact O-CB 3.37Å; Q165-T169 PolarHBondContact O-N 3.21Å; Q165-T169 PolarHBondContact O-OG1 2.72Å; L166-T169 PolarHBondContact O-N 2.83Å; Q167-T169 VanDerWaalsContact C-N 3.3Å; Q167-T169 PolarHBondContact O-N 2.83Å; T169-H172 PolarHBondContact O-N 2.82Å; T169-I173 HydrophobicContact CG2-CD1 3.91Å; T169-I173 HydrophobicContact CG2-CG1 4.45Å; T169-I173 WeakPolarHBondContact O-CB 3.4Å; T169-I173 VanDerWaalsContact O-CG1 3.27Å; T169-I173 WeakPolarHBondContact O-CG1 3.33Å; T169-I173 PolarHBondContact O-N 3.21Å |
| 170 | L | 92.6 | Very high | 93.4 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 176 | -72.1 | 170.4 | 0 | 0 | 0 | 112 | L166 Q167 I173 Q174 | L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.43Å; Q167-L170 WeakPolarHBondContact O-CB 3.37Å; Q167-L170 PolarHBondContact O-N 3.48Å; Q167-L170 VanDerWaalsContact O-N 3.16Å; L170-I173 PolarHBondContact O-N 3.23Å; L170-Q174 WeakPolarHBondContact O-CB 3.43Å; L170-Q174 PolarHBondContact O-N 3.49Å |
| 171 | V | 94.1 | Very high | 93.4 | Very high | 90 Ų | 90 | 105.7 Ų | 105.7 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Q167 I173 Q174 E175 | Q167-V171 WeakPolarHBondContact O-CG2 3.36Å; Q167-V171 PolarHBondContact O-N 2.98Å; V171-I173 PolarHBondContact O-N 2.96Å; V171-Q174 WeakPolarHBondContact O-CB 3.45Å; V171-Q174 PolarHBondContact O-N 2.98Å; V171-E175 WeakPolarHBondContact O-CB 3.42Å; V171-E175 PolarHBondContact O-N 3.27Å |
| 172 | H | 96.2 | Very high | 93.5 | Very high | 105 Ų | 105 | 105.8 Ų | 105.8 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 179.6 | -171.1 | 48.7 | 0 | 0 | 0 | 113.1 | Q168 T169 E175 L176 | Q168-H172 WeakPolarHBondContact O-CB 3.31Å; Q168-H172 PolarHBondContact O-N 3.24Å; T169-H172 PolarHBondContact O-N 2.82Å; H172-E175 IonicContact ND1-OE2 2.78Å; H172-E175 PolarHBondContact O-N 3.3Å; H172-L176 WeakPolarHBondContact O-CB 3.49Å; H172-L176 PolarHBondContact O-N 2.93Å |
| 173 | I | 95.1 | Very high | 93.6 | Very high | 91 Ų | 91 | 109 Ų | 109 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 171.8 | -71.8 | 167.7 | 0 | 0 | 0 | 110.7 | T169 L170 V171 L176 L177 | T169-I173 HydrophobicContact CG2-CD1 3.91Å; T169-I173 HydrophobicContact CG2-CG1 4.45Å; T169-I173 WeakPolarHBondContact O-CB 3.4Å; T169-I173 VanDerWaalsContact O-CG1 3.27Å; T169-I173 WeakPolarHBondContact O-CG1 3.33Å; T169-I173 PolarHBondContact O-N 3.21Å; L170-I173 PolarHBondContact O-N 3.23Å; V171-I173 PolarHBondContact O-N 2.96Å; I173-L176 PolarHBondContact O-N 3.43Å; I173-L177 WeakPolarHBondContact O-CB 3.5Å; I173-L177 PolarHBondContact O-N 2.86Å |
| 174 | Q | 92.9 | Very high | 93.5 | Very high | 135 Ų | 135 | 110.4 Ų | 110.4 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.1 | -44.4 | 176.5 | -179.2 | 175.9 | 69.1 | 0 | 0 | 111.5 | L170 V171 L177 V178 | L170-Q174 WeakPolarHBondContact O-CB 3.43Å; L170-Q174 PolarHBondContact O-N 3.49Å; V171-Q174 WeakPolarHBondContact O-CB 3.45Å; V171-Q174 PolarHBondContact O-N 2.98Å; Q174-L177 WeakPolarHBondContact O-CB 3.41Å; Q174-L177 PolarHBondContact O-N 3.37Å; Q174-V178 WeakPolarHBondContact O-CG2 3.46Å; Q174-V178 PolarHBondContact O-N 2.87Å |
| 175 | E | 94.8 | Very high | 93.4 | Very high | 122 Ų | 122 | 112.6 Ų | 112.6 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.9 | -45.3 | 175 | -175.4 | 176.5 | -140 | 0 | 0 | 111.7 | V171 H172 L177 V178 Q179 | V171-E175 WeakPolarHBondContact O-CB 3.42Å; V171-E175 PolarHBondContact O-N 3.27Å; H172-E175 IonicContact ND1-OE2 2.78Å; H172-E175 PolarHBondContact O-N 3.3Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 2.92Å; E175-V178 PolarHBondContact O-N 3.34Å; E175-Q179 WeakPolarHBondContact O-CB 3.46Å; E175-Q179 PolarHBondContact O-N 3.47Å |
| 176 | L | 94.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 113 Ų | 113 | 44% | 0.44 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.2 | -39.6 | 173 | -94 | 162.7 | 0 | 0 | 0 | 112.6 | H172 I173 Q179 Q180 | H172-L176 WeakPolarHBondContact O-CB 3.49Å; H172-L176 PolarHBondContact O-N 2.93Å; I173-L176 PolarHBondContact O-N 3.43Å; L176-Q179 PolarHBondContact O-N 3.39Å; L176-Q180 VanDerWaalsContact O-CB 3.28Å; L176-Q180 WeakPolarHBondContact O-CB 3.29Å; L176-Q180 PolarHBondContact O-N 3.01Å |
| 177 | L | 92.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.8 | -45.3 | 177.8 | -137.5 | 89.6 | 0 | 0 | 0 | 111.1 | I173 Q174 E175 Q180 Q181 | I173-L177 WeakPolarHBondContact O-CB 3.5Å; I173-L177 PolarHBondContact O-N 2.86Å; Q174-L177 WeakPolarHBondContact O-CB 3.41Å; Q174-L177 PolarHBondContact O-N 3.37Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 2.92Å; L177-Q180 PolarHBondContact O-N 3.25Å; L177-Q181 WeakPolarHBondContact O-CB 3.27Å; L177-Q181 PolarHBondContact O-N 3.11Å |
| 178 | V | 94.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 109.3 Ų | 109.3 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | Q174 E175 Q180 Q181 Q182 | Q174-V178 WeakPolarHBondContact O-CG2 3.46Å; Q174-V178 PolarHBondContact O-N 2.87Å; E175-V178 PolarHBondContact O-N 3.34Å; V178-Q180 VanDerWaalsContact C-N 3.32Å; V178-Q180 PolarHBondContact O-N 2.94Å; V178-Q181 PolarHBondContact O-N 3.13Å; V178-Q182 VanDerWaalsContact O-CB 3.32Å; V178-Q182 WeakPolarHBondContact O-CB 3.24Å; V178-Q182 PolarHBondContact O-N 3.44Å |
| 179 | Q | 94.6 | Very high | 92.8 | Very high | 126 Ų | 126 | 109.1 Ų | 109.1 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.6 | -40.2 | 175.9 | -172.1 | -176.3 | 7.2 | 0 | 0 | 111.9 | E175 L176 K183 | E175-Q179 WeakPolarHBondContact O-CB 3.46Å; E175-Q179 PolarHBondContact O-N 3.47Å; L176-Q179 PolarHBondContact O-N 3.39Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 2.83Å |
| 180 | Q | 91 | Very high | 92.7 | Very high | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.2 | -42.3 | 177.1 | -165.9 | 176.9 | 36.9 | 0 | 0 | 111.3 | L176 L177 V178 K183 I184 | L176-Q180 VanDerWaalsContact O-CB 3.28Å; L176-Q180 WeakPolarHBondContact O-CB 3.29Å; L176-Q180 PolarHBondContact O-N 3.01Å; L177-Q180 PolarHBondContact O-N 3.25Å; V178-Q180 VanDerWaalsContact C-N 3.32Å; V178-Q180 PolarHBondContact O-N 2.94Å; Q180-K183 PolarHBondContact O-N 3.39Å; Q180-I184 HydrophobicContact CG-CD1 4.05Å; Q180-I184 WeakPolarHBondContact O-CB 3.36Å; Q180-I184 WeakPolarHBondContact O-CD1 3.46Å; Q180-I184 VanDerWaalsContact O-CG1 3.24Å; Q180-I184 WeakPolarHBondContact O-CG1 3.46Å; Q180-I184 PolarHBondContact O-N 3.2Å |
| 181 | Q | 90.1 | Very high | 92.3 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -46.8 | 173.6 | -175.2 | -179.9 | 3.8 | 0 | 0 | 111.5 | L177 V178 K183 I184 Q185 | L177-Q181 WeakPolarHBondContact O-CB 3.27Å; L177-Q181 PolarHBondContact O-N 3.11Å; V178-Q181 PolarHBondContact O-N 3.13Å; Q181-K183 VanDerWaalsContact C-N 3.33Å; Q181-K183 PolarHBondContact O-N 3.08Å; Q181-I184 PolarHBondContact O-N 2.98Å; Q181-Q185 WeakPolarHBondContact O-CB 3.36Å; Q181-Q185 PolarHBondContact O-N 3.48Å |
| 182 | Q | 93 | Very high | 91.8 | Very high | 137 Ų | 137 | 110.5 Ų | 110.5 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -56.9 | -46.4 | 176.4 | -167.9 | 90.2 | 25.5 | 0 | 0 | 111 | V178 Q185 E186 | V178-Q182 VanDerWaalsContact O-CB 3.32Å; V178-Q182 WeakPolarHBondContact O-CB 3.24Å; V178-Q182 PolarHBondContact O-N 3.44Å; Q182-Q185 WeakPolarHBondContact O-CB 3.39Å; Q182-Q185 PolarHBondContact O-N 3.4Å; Q182-E186 WeakPolarHBondContact O-CB 3.47Å; Q182-E186 PolarHBondContact O-N 3.23Å |
| 183 | K | 92.4 | Very high | 91.3 | Very high | 128 Ų | 128 | 107.8 Ų | 107.8 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.2 | -34.8 | 179.8 | -172 | 166.2 | -173.7 | 169.7 | 0 | 113.1 | Q179 Q180 Q181 Q185 L187 | Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 2.83Å; Q180-K183 PolarHBondContact O-N 3.39Å; Q181-K183 VanDerWaalsContact C-N 3.33Å; Q181-K183 PolarHBondContact O-N 3.08Å; K183-Q185 VanDerWaalsContact C-N 3.35Å; K183-L187 HydrophobicContact CG-CD1 4.17Å; K183-L187 WeakPolarHBondContact O-CB 3.39Å; K183-L187 VanDerWaalsContact O-CG 3.26Å; K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 3.02Å |
| 184 | I | 92.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 106 Ų | 106 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 172.5 | -70.2 | 163.5 | 0 | 0 | 0 | 110.3 | Q180 Q181 S188 | Q180-I184 HydrophobicContact CG-CD1 4.05Å; Q180-I184 WeakPolarHBondContact O-CB 3.36Å; Q180-I184 WeakPolarHBondContact O-CD1 3.46Å; Q180-I184 VanDerWaalsContact O-CG1 3.24Å; Q180-I184 WeakPolarHBondContact O-CG1 3.46Å; Q180-I184 PolarHBondContact O-N 3.2Å; Q181-I184 PolarHBondContact O-N 2.98Å; I184-S188 WeakPolarHBondContact O-CB 3.15Å; I184-S188 PolarHBondContact O-N 3.41Å |
| 185 | Q | 90.7 | Very high | 90.4 | Very high | 120 Ų | 120 | 105.9 Ų | 105.9 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 176.1 | -164.6 | 71.3 | 72.7 | 0 | 0 | 111.6 | Q181 Q182 K183 S188 Q189 | Q181-Q185 WeakPolarHBondContact O-CB 3.36Å; Q181-Q185 PolarHBondContact O-N 3.48Å; Q182-Q185 WeakPolarHBondContact O-CB 3.39Å; Q182-Q185 PolarHBondContact O-N 3.4Å; K183-Q185 VanDerWaalsContact C-N 3.35Å; Q185-S188 PolarHBondContact O-N 2.92Å; Q185-Q189 WeakPolarHBondContact O-CB 3.17Å; Q185-Q189 PolarHBondContact O-N 3.24Å |
| 186 | E | 93.3 | Very high | 89.6 | Confident | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -52.6 | 174.5 | -178.1 | -179.1 | -153.8 | 0 | 0 | 111.3 | Q182 S188 Q189 E190 | Q182-E186 WeakPolarHBondContact O-CB 3.47Å; Q182-E186 PolarHBondContact O-N 3.23Å; E186-S188 VanDerWaalsContact C-N 3.31Å; E186-S188 PolarHBondContact O-N 2.95Å; E186-Q189 PolarHBondContact O-N 3.15Å; E186-Q189 VanDerWaalsContact O-N 3.09Å; E186-E190 WeakPolarHBondContact O-CB 3.46Å; E186-E190 PolarHBondContact O-N 3.38Å |
| 187 | L | 90.7 | Very high | 88.9 | Confident | 89 Ų | 89 | 103 Ų | 103 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 177.9 | -72.4 | 169.8 | 0 | 0 | 0 | 112.3 | K183 L191 | K183-L187 HydrophobicContact CG-CD1 4.17Å; K183-L187 WeakPolarHBondContact O-CB 3.39Å; K183-L187 VanDerWaalsContact O-CG 3.26Å; K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 3.02Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 3.16Å |
| 188 | S | 89.6 | Confident | 88.6 | Confident | 69 Ų | 69 | 100.9 Ų | 100.9 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | I184 Q185 E186 S192 | I184-S188 WeakPolarHBondContact O-CB 3.15Å; I184-S188 PolarHBondContact O-N 3.41Å; Q185-S188 PolarHBondContact O-N 2.92Å; E186-S188 VanDerWaalsContact C-N 3.31Å; E186-S188 PolarHBondContact O-N 2.95Å; S188-S192 PolarHBondContact O-N 3.44Å; S188-S192 VanDerWaalsContact O-N 3.09Å |
| 189 | Q | 91.4 | Very high | 88.3 | Confident | 134 Ų | 134 | 99.9 Ų | 99.9 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71 | -45.6 | 178 | -177.7 | 175 | -12.7 | 0 | 0 | 110.8 | Q185 E186 L191 S192 A193 | Q185-Q189 WeakPolarHBondContact O-CB 3.17Å; Q185-Q189 PolarHBondContact O-N 3.24Å; E186-Q189 PolarHBondContact O-N 3.15Å; E186-Q189 VanDerWaalsContact O-N 3.09Å; Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 2.8Å; Q189-S192 PolarHBondContact O-N 2.92Å; Q189-S192 PolarHBondContact O-OG 3.45Å; Q189-A193 WeakPolarHBondContact O-CB 3.33Å; Q189-A193 PolarHBondContact O-N 3.24Å |
| 190 | E | 90.8 | Very high | 87.7 | Confident | 125 Ų | 125 | 97.8 Ų | 97.8 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.4 | -44.2 | 174.1 | -172.8 | -178.8 | -167.2 | 0 | 0 | 110.8 | E186 S192 A193 A194 | E186-E190 WeakPolarHBondContact O-CB 3.46Å; E186-E190 PolarHBondContact O-N 3.38Å; E190-S192 PolarHBondContact O-N 3.04Å; E190-A193 PolarHBondContact O-N 3.06Å; E190-A194 WeakPolarHBondContact O-CB 3.37Å; E190-A194 PolarHBondContact O-N 2.84Å |
| 191 | L | 84.8 | Confident | 87.7 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 177.6 | -162.6 | 153.5 | 0 | 0 | 0 | 111.7 | L187 Q189 A194 E195 | L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 3.16Å; Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 2.8Å; L191-A194 PolarHBondContact O-N 3.28Å; L191-E195 VanDerWaalsContact O-CB 3.24Å; L191-E195 WeakPolarHBondContact O-CB 3.41Å; L191-E195 PolarHBondContact O-N 3.01Å |
| 192 | S | 84.3 | Confident | 87.7 | Confident | 62 Ų | 62 | 98.8 Ų | 98.8 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 174.5 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | S188 Q189 E190 T196 | S188-S192 PolarHBondContact O-N 3.44Å; S188-S192 VanDerWaalsContact O-N 3.09Å; Q189-S192 PolarHBondContact O-N 2.92Å; Q189-S192 PolarHBondContact O-OG 3.45Å; E190-S192 PolarHBondContact O-N 3.04Å; S192-T196 WeakPolarHBondContact O-CG2 3.4Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 VanDerWaalsContact O-N 3.11Å; S192-T196 PolarHBondContact O-OG1 3.28Å |
| 193 | A | 84.2 | Confident | 87.6 | Confident | 48 Ų | 48 | 96.8 Ų | 96.8 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.3 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q189 E190 T196 S197 | Q189-A193 WeakPolarHBondContact O-CB 3.33Å; Q189-A193 PolarHBondContact O-N 3.24Å; E190-A193 PolarHBondContact O-N 3.06Å; A193-T196 WeakPolarHBondContact CA-OG1 3.43Å; A193-T196 PolarHBondContact O-OG1 3.28Å; A193-S197 VanDerWaalsContact O-CB 3.22Å; A193-S197 WeakPolarHBondContact O-CB 3.45Å; A193-S197 PolarHBondContact O-N 3.07Å; A193-S197 PolarHBondContact O-OG 3.46Å |
| 194 | A | 85 | Confident | 87.6 | Confident | 53 Ų | 53 | 95.3 Ų | 95.3 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E190 L191 S197 S198 | E190-A194 WeakPolarHBondContact O-CB 3.37Å; E190-A194 PolarHBondContact O-N 2.84Å; L191-A194 PolarHBondContact O-N 3.28Å; A194-S197 PolarHBondContact O-N 2.74Å; A194-S198 WeakPolarHBondContact O-CB 3.25Å; A194-S198 PolarHBondContact O-N 3.11Å |
| 195 | E | 84.8 | Confident | 87.6 | Confident | 132 Ų | 132 | 94.5 Ų | 94.5 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 177.3 | -176.9 | 168.8 | -177.6 | 0 | 0 | 111.5 | L191 S198 S199 | L191-E195 VanDerWaalsContact O-CB 3.24Å; L191-E195 WeakPolarHBondContact O-CB 3.41Å; L191-E195 PolarHBondContact O-N 3.01Å; E195-S198 PolarHBondContact O-N 2.95Å; E195-S199 WeakPolarHBondContact O-CB 3.25Å; E195-S199 PolarHBondContact O-N 2.78Å; E195-S199 PolarHBondContact O-OG 2.93Å |
| 196 | T | 77.3 | Confident | 87.8 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 172.4 | 47 | 0 | 0 | 0 | 0 | 112.4 | S192 A193 S199 T200 | S192-T196 WeakPolarHBondContact O-CG2 3.4Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 VanDerWaalsContact O-N 3.11Å; S192-T196 PolarHBondContact O-OG1 3.28Å; A193-T196 WeakPolarHBondContact CA-OG1 3.43Å; A193-T196 PolarHBondContact O-OG1 3.28Å; T196-S199 WeakPolarHBondContact CA-OG 3.24Å; T196-S199 PolarHBondContact O-OG 3.25Å; T196-T200 WeakPolarHBondContact O-CB 3.47Å; T196-T200 WeakPolarHBondContact O-CG2 3.43Å; T196-T200 PolarHBondContact O-N 3.16Å; T196-T200 VanDerWaalsContact O-N 3.08Å; T196-T200 PolarHBondContact O-OG1 3.35Å |
| 197 | S | 80.9 | Confident | 87.9 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.1 | -29.4 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 113.5 | A193 A194 T200 N201 | A193-S197 VanDerWaalsContact O-CB 3.22Å; A193-S197 WeakPolarHBondContact O-CB 3.45Å; A193-S197 PolarHBondContact O-N 3.07Å; A193-S197 PolarHBondContact O-OG 3.46Å; A194-S197 PolarHBondContact O-N 2.74Å; S197-T200 WeakPolarHBondContact CA-OG1 3.44Å; S197-T200 PolarHBondContact O-OG1 3.18Å; S197-T200 VanDerWaalsContact O-OG1 3.13Å; S197-N201 WeakPolarHBondContact O-CB 3.44Å; S197-N201 PolarHBondContact O-N 3.43Å; S197-N201 PolarHBondContact O-ND2 3.15Å |
| 198 | S | 86 | Confident | 88 | Confident | 65 Ų | 65 | 92.6 Ų | 92.6 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.1 | -42.3 | 178 | -179 | 0 | 0 | 0 | 0 | 111.4 | A194 E195 N201 R202 | A194-S198 WeakPolarHBondContact O-CB 3.25Å; A194-S198 PolarHBondContact O-N 3.11Å; E195-S198 PolarHBondContact O-N 2.95Å; S198-N201 PolarHBondContact O-N 3.23Å; S198-R202 WeakPolarHBondContact O-CB 3.49Å; S198-R202 PolarHBondContact O-N 3.46Å |
| 199 | S | 86.6 | Confident | 88.3 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | E195 T196 R202 I203 | E195-S199 WeakPolarHBondContact O-CB 3.25Å; E195-S199 PolarHBondContact O-N 2.78Å; E195-S199 PolarHBondContact O-OG 2.93Å; T196-S199 WeakPolarHBondContact CA-OG 3.24Å; T196-S199 PolarHBondContact O-OG 3.25Å; S199-R202 PolarHBondContact O-N 3.03Å; S199-I203 WeakPolarHBondContact O-CD1 3.29Å; S199-I203 VanDerWaalsContact O-CG1 3.27Å; S199-I203 WeakPolarHBondContact O-CG1 3.31Å; S199-I203 PolarHBondContact O-N 3.39Å |
| 200 | T | 83.4 | Confident | 88.4 | Confident | 83 Ų | 83 | 89 Ų | 89 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.9 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | T196 S197 R202 I203 L204 | T196-T200 WeakPolarHBondContact O-CB 3.47Å; T196-T200 WeakPolarHBondContact O-CG2 3.43Å; T196-T200 PolarHBondContact O-N 3.16Å; T196-T200 VanDerWaalsContact O-N 3.08Å; T196-T200 PolarHBondContact O-OG1 3.35Å; S197-T200 WeakPolarHBondContact CA-OG1 3.44Å; S197-T200 PolarHBondContact O-OG1 3.18Å; S197-T200 VanDerWaalsContact O-OG1 3.13Å; T200-R202 PolarHBondContact O-N 3.39Å; T200-I203 PolarHBondContact O-N 2.91Å; T200-L204 WeakPolarHBondContact O-CB 3.44Å; T200-L204 PolarHBondContact O-N 3.21Å |
| 201 | N | 89.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 89 Ų | 89 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 172.4 | -89.3 | -61.2 | 0 | 0 | 0 | 111.9 | S197 S198 I203 L204 D205 | S197-N201 WeakPolarHBondContact O-CB 3.44Å; S197-N201 PolarHBondContact O-N 3.43Å; S197-N201 PolarHBondContact O-ND2 3.15Å; S198-N201 PolarHBondContact O-N 3.23Å; N201-I203 VanDerWaalsContact C-N 3.28Å; N201-I203 PolarHBondContact O-N 3.44Å; N201-L204 CarbonylContact O-C 3.53Å; N201-L204 PolarHBondContact O-N 3.3Å; N201-D205 PolarHBondContact O-N 2.88Å |
| 202 | R | 90.9 | Very high | 89.2 | Confident | 183 Ų | 183 | 87.9 Ų | 87.9 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -35.1 | 176.6 | -86.7 | -173.2 | 149 | -163.5 | -5 | 113.9 | S198 S199 T200 N206 | S198-R202 WeakPolarHBondContact O-CB 3.49Å; S198-R202 PolarHBondContact O-N 3.46Å; S199-R202 PolarHBondContact O-N 3.03Å; T200-R202 PolarHBondContact O-N 3.39Å; R202-N206 WeakPolarHBondContact O-CB 3.36Å; R202-N206 PolarHBondContact O-N 2.94Å; R202-N206 VanDerWaalsContact O-N 3.11Å |
| 203 | I | 91.5 | Very high | 89.7 | Confident | 95 Ų | 95 | 92.5 Ų | 92.5 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 175 | -69.4 | 161.8 | 0 | 0 | 0 | 110 | S199 T200 N201 N206 Q207 | S199-I203 WeakPolarHBondContact O-CD1 3.29Å; S199-I203 VanDerWaalsContact O-CG1 3.27Å; S199-I203 WeakPolarHBondContact O-CG1 3.31Å; S199-I203 PolarHBondContact O-N 3.39Å; T200-I203 PolarHBondContact O-N 2.91Å; N201-I203 VanDerWaalsContact C-N 3.28Å; N201-I203 PolarHBondContact O-N 3.44Å; I203-N206 PolarHBondContact O-N 3.46Å; I203-Q207 WeakPolarHBondContact O-CG 3.37Å; I203-Q207 PolarHBondContact O-N 3.39Å |
| 204 | L | 91.9 | Very high | 90.2 | Very high | 97 Ų | 97 | 93 Ų | 93 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | -179.1 | -154.3 | 153.9 | 0 | 0 | 0 | 111.7 | T200 N201 Q207 T208 | T200-L204 WeakPolarHBondContact O-CB 3.44Å; T200-L204 PolarHBondContact O-N 3.21Å; N201-L204 CarbonylContact O-C 3.53Å; N201-L204 PolarHBondContact O-N 3.3Å; L204-Q207 PolarHBondContact O-N 3.15Å; L204-T208 HydrophobicContact CD2-CG2 4.09Å; L204-T208 WeakPolarHBondContact O-CG2 2.98Å; L204-T208 PolarHBondContact O-N 3.18Å; L204-T208 PolarHBondContact O-OG1 3.14Å |
| 205 | D | 93.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 170.2 | -73.4 | -29.2 | 0 | 0 | 0 | 111.5 | N201 Q207 T208 V209 | N201-D205 PolarHBondContact O-N 2.88Å; D205-Q207 VanDerWaalsContact C-N 3.29Å; D205-Q207 PolarHBondContact O-N 2.9Å; D205-T208 PolarHBondContact O-N 2.84Å; D205-T208 PolarHBondContact O-OG1 3.46Å; D205-V209 WeakPolarHBondContact O-CB 3.41Å; D205-V209 VanDerWaalsContact O-CG2 3.28Å; D205-V209 WeakPolarHBondContact O-CG2 3.28Å; D205-V209 PolarHBondContact O-N 3.43Å |
| 206 | N | 93.9 | Very high | 91.1 | Very high | 124 Ų | 124 | 95.8 Ų | 95.8 | 66% | 0.663 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -34.5 | 176.4 | -85.8 | -16.9 | 0 | 0 | 0 | 112.7 | R202 I203 G210 | R202-N206 WeakPolarHBondContact O-CB 3.36Å; R202-N206 PolarHBondContact O-N 2.94Å; R202-N206 VanDerWaalsContact O-N 3.11Å; I203-N206 PolarHBondContact O-N 3.46Å; N206-G210 PolarHBondContact O-N 2.91Å; N206-G210 VanDerWaalsContact O-N 3.07Å |
| 207 | Q | 94.6 | Very high | 91.8 | Very high | 119 Ų | 119 | 94.6 Ų | 94.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -50.7 | 174.7 | -76.3 | 174.5 | -7.9 | 0 | 0 | 111.2 | I203 L204 D205 V209 G210 E211 | I203-Q207 WeakPolarHBondContact O-CG 3.37Å; I203-Q207 PolarHBondContact O-N 3.39Å; L204-Q207 PolarHBondContact O-N 3.15Å; D205-Q207 VanDerWaalsContact C-N 3.29Å; D205-Q207 PolarHBondContact O-N 2.9Å; Q207-V209 PolarHBondContact O-N 3.38Å; Q207-G210 CarbonylContact O-C 3.48Å; Q207-G210 VanDerWaalsContact O-CA 3.32Å; Q207-G210 WeakPolarHBondContact O-CA 3.43Å; Q207-G210 PolarHBondContact O-N 3.4Å; Q207-E211 PolarHBondContact O-N 3.3Å |
| 208 | T | 94.4 | Very high | 92.3 | Very high | 51 Ų | 51 | 95.5 Ų | 95.5 | 31% | 0.313 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | L204 D205 G210 E211 L212 | L204-T208 HydrophobicContact CD2-CG2 4.09Å; L204-T208 WeakPolarHBondContact O-CG2 2.98Å; L204-T208 PolarHBondContact O-N 3.18Å; L204-T208 PolarHBondContact O-OG1 3.14Å; D205-T208 PolarHBondContact O-N 2.84Å; D205-T208 PolarHBondContact O-OG1 3.46Å; T208-G210 VanDerWaalsContact C-N 3.29Å; T208-G210 PolarHBondContact O-N 2.81Å; T208-E211 PolarHBondContact O-N 2.88Å; T208-L212 WeakPolarHBondContact O-CB 3.34Å; T208-L212 VanDerWaalsContact O-CG 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.48Å; T208-L212 PolarHBondContact O-N 3.49Å |
| 209 | V | 95.2 | Very high | 92.6 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 171.2 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | D205 Q207 K213 | D205-V209 WeakPolarHBondContact O-CB 3.41Å; D205-V209 VanDerWaalsContact O-CG2 3.28Å; D205-V209 WeakPolarHBondContact O-CG2 3.28Å; D205-V209 PolarHBondContact O-N 3.43Å; Q207-V209 PolarHBondContact O-N 3.38Å; V209-K213 WeakPolarHBondContact O-CB 3.43Å; V209-K213 PolarHBondContact O-N 2.86Å |
| 210 | G | 94.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 101.3 Ų | 101.3 | 40% | 0.402 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N206 Q207 T208 K213 A214 | N206-G210 PolarHBondContact O-N 2.91Å; N206-G210 VanDerWaalsContact O-N 3.07Å; Q207-G210 CarbonylContact O-C 3.48Å; Q207-G210 VanDerWaalsContact O-CA 3.32Å; Q207-G210 WeakPolarHBondContact O-CA 3.43Å; Q207-G210 PolarHBondContact O-N 3.4Å; T208-G210 VanDerWaalsContact C-N 3.29Å; T208-G210 PolarHBondContact O-N 2.81Å; G210-K213 PolarHBondContact O-N 3.31Å; G210-A214 PolarHBondContact O-N 3.4Å |
| 211 | E | 94.9 | Very high | 92.9 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.2 | -51.7 | 176.3 | -70.8 | 177.7 | 171.9 | 0 | 0 | 111.5 | Q207 T208 K213 A214 E215 | Q207-E211 PolarHBondContact O-N 3.3Å; T208-E211 PolarHBondContact O-N 2.88Å; E211-K213 PolarHBondContact O-N 3.26Å; E211-A214 CarbonylContact O-C 3.58Å; E211-A214 WeakPolarHBondContact O-CA 3.33Å; E211-A214 WeakPolarHBondContact O-CB 3.39Å; E211-A214 PolarHBondContact O-N 3.05Å; E211-E215 PolarHBondContact O-N 2.94Å |
| 212 | L | 96.1 | Very high | 92.8 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -55.9 | -39.5 | 175.3 | -71.8 | 170.6 | 0 | 0 | 0 | 111.9 | T208 E215 I216 | T208-L212 WeakPolarHBondContact O-CB 3.34Å; T208-L212 VanDerWaalsContact O-CG 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.48Å; T208-L212 PolarHBondContact O-N 3.49Å; L212-E215 PolarHBondContact O-N 2.9Å; L212-I216 WeakPolarHBondContact O-CB 3.48Å; L212-I216 WeakPolarHBondContact O-CD1 3.09Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3.23Å |
| 213 | K | 95.4 | Very high | 92.4 | Very high | 158 Ų | 158 | 96.2 Ų | 96.2 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 174.4 | -178.6 | -179.1 | 175.8 | -175.8 | 0 | 112 | V209 G210 E211 A217 | V209-K213 WeakPolarHBondContact O-CB 3.43Å; V209-K213 PolarHBondContact O-N 2.86Å; G210-K213 PolarHBondContact O-N 3.31Å; E211-K213 PolarHBondContact O-N 3.26Å; K213-A217 VanDerWaalsContact O-CB 3.26Å; K213-A217 WeakPolarHBondContact O-CB 3.36Å; K213-A217 PolarHBondContact O-N 3.37Å |
| 214 | A | 95.1 | Very high | 91.8 | Very high | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G210 E211 A217 S218 | G210-A214 PolarHBondContact O-N 3.4Å; E211-A214 CarbonylContact O-C 3.58Å; E211-A214 WeakPolarHBondContact O-CA 3.33Å; E211-A214 WeakPolarHBondContact O-CB 3.39Å; E211-A214 PolarHBondContact O-N 3.05Å; A214-A217 PolarHBondContact O-N 3.36Å; A214-S218 VanDerWaalsContact O-CB 3.32Å; A214-S218 WeakPolarHBondContact O-CB 3.31Å; A214-S218 PolarHBondContact O-N 3.48Å |
| 215 | E | 94.4 | Very high | 90.8 | Very high | 128 Ų | 128 | 95 Ų | 95 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 172.7 | -70.6 | -169 | 164.1 | 0 | 0 | 111.7 | E211 L212 A217 S218 L219 | E211-E215 PolarHBondContact O-N 2.94Å; L212-E215 PolarHBondContact O-N 2.9Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.25Å; E215-S218 WeakPolarHBondContact O-CB 3.22Å; E215-S218 PolarHBondContact O-N 3.18Å; E215-S218 VanDerWaalsContact O-N 3.17Å; E215-L219 VanDerWaalsContact O-CB 3.28Å; E215-L219 WeakPolarHBondContact O-CB 3.32Å; E215-L219 PolarHBondContact O-N 3.38Å |
| 216 | I | 94.1 | Very high | 89.4 | Confident | 115 Ų | 115 | 102 Ų | 102 | 59% | 0.59 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.6 | -40.5 | 174.6 | -69.7 | 163.5 | 0 | 0 | 0 | 110.5 | L212 K220 | L212-I216 WeakPolarHBondContact O-CB 3.48Å; L212-I216 WeakPolarHBondContact O-CD1 3.09Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3.23Å; I216-K220 WeakPolarHBondContact O-CB 3.32Å; I216-K220 PolarHBondContact O-N 2.94Å |
| 217 | A | 91.6 | Very high | 87.8 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K213 A214 E215 G221 | K213-A217 VanDerWaalsContact O-CB 3.26Å; K213-A217 WeakPolarHBondContact O-CB 3.36Å; K213-A217 PolarHBondContact O-N 3.37Å; A214-A217 PolarHBondContact O-N 3.36Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.25Å; A217-G221 PolarHBondContact O-N 2.85Å |
| 218 | S | 92.4 | Very high | 86.2 | Confident | 83 Ų | 83 | 107 Ų | 107 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -48.5 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | A214 E215 G221 L222 | A214-S218 VanDerWaalsContact O-CB 3.32Å; A214-S218 WeakPolarHBondContact O-CB 3.31Å; A214-S218 PolarHBondContact O-N 3.48Å; E215-S218 WeakPolarHBondContact O-CB 3.22Å; E215-S218 PolarHBondContact O-N 3.18Å; E215-S218 VanDerWaalsContact O-N 3.17Å; S218-G221 CarbonylContact O-C 3.52Å; S218-G221 WeakPolarHBondContact O-CA 3.47Å; S218-G221 PolarHBondContact O-N 3.33Å; S218-G221 VanDerWaalsContact O-N 3.07Å; S218-L222 WeakPolarHBondContact O-CB 3.43Å; S218-L222 PolarHBondContact O-N 3.04Å |
| 219 | L | 91.8 | Very high | 84.5 | Confident | 108 Ų | 108 | 111.4 Ų | 111.4 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.6 | -38.2 | 178.6 | -172.1 | 137.5 | 0 | 0 | 0 | 111.8 | E215 G221 L222 L223 | E215-L219 VanDerWaalsContact O-CB 3.28Å; E215-L219 WeakPolarHBondContact O-CB 3.32Å; E215-L219 PolarHBondContact O-N 3.38Å; L219-G221 VanDerWaalsContact C-N 3.34Å; L219-L222 PolarHBondContact O-N 3.35Å; L219-L223 HydrophobicContact CD2-CD1 3.62Å; L219-L223 HydrophobicContact CD2-CG 4.35Å; L219-L223 HydrophobicContact CG-CD1 4.39Å; L219-L223 WeakPolarHBondContact O-CB 3.48Å; L219-L223 WeakPolarHBondContact O-CG 3.31Å; L219-L223 PolarHBondContact O-N 3.36Å |
| 220 | K | 89.5 | Confident | 82.7 | Confident | 133 Ų | 133 | 112.7 Ų | 112.7 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.8 | -44.2 | 167.1 | -178.4 | -171.5 | 175.9 | -178.6 | 0 | 110.9 | I216 L222 L224 | I216-K220 WeakPolarHBondContact O-CB 3.32Å; I216-K220 PolarHBondContact O-N 2.94Å; K220-L222 VanDerWaalsContact C-N 3.29Å; K220-L222 PolarHBondContact O-N 2.8Å; K220-L224 HydrophobicContact CB-CD1 4.49Å; K220-L224 HydrophobicContact CG-CD1 3.53Å; K220-L224 WeakPolarHBondContact O-CB 3.32Å; K220-L224 WeakPolarHBondContact O-CD1 3.37Å; K220-L224 PolarHBondContact O-N 2.87Å |
| 221 | G | 87.6 | Confident | 80.7 | Confident | 42 Ų | 42 | 116.3 Ų | 116.3 | 43% | 0.433 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.9 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A217 S218 L219 S225 | A217-G221 PolarHBondContact O-N 2.85Å; S218-G221 CarbonylContact O-C 3.52Å; S218-G221 WeakPolarHBondContact O-CA 3.47Å; S218-G221 PolarHBondContact O-N 3.33Å; S218-G221 VanDerWaalsContact O-N 3.07Å; L219-G221 VanDerWaalsContact C-N 3.34Å; G221-S225 WeakPolarHBondContact O-CA 3.35Å; G221-S225 WeakPolarHBondContact O-CB 3.5Å; G221-S225 PolarHBondContact O-N 3.35Å |
| 222 | L | 86 | Confident | 78.9 | Confident | 100 Ų | 100 | 116.4 Ų | 116.4 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69 | -50.9 | 179.3 | -162.8 | 159.7 | 0 | 0 | 0 | 111.5 | S218 L219 K220 S225 Q228 | S218-L222 WeakPolarHBondContact O-CB 3.43Å; S218-L222 PolarHBondContact O-N 3.04Å; L219-L222 PolarHBondContact O-N 3.35Å; K220-L222 VanDerWaalsContact C-N 3.29Å; K220-L222 PolarHBondContact O-N 2.8Å; L222-S225 PolarHBondContact O-N 3.27Å; L222-Q228 VanDerWaalsContact CA-OE1 3.24Å; L222-Q228 PolarHBondContact O-OE1 2.92Å; L222-Q228 VanDerWaalsContact O-OE1 3.08Å |
| 223 | L | 82 | Confident | 77 | Confident | 112 Ų | 112 | 117.6 Ų | 117.6 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68 | -37.1 | -179.1 | -68.6 | 178.2 | 0 | 0 | 0 | 113.7 | L219 | L219-L223 HydrophobicContact CD2-CD1 3.62Å; L219-L223 HydrophobicContact CD2-CG 4.35Å; L219-L223 HydrophobicContact CG-CD1 4.39Å; L219-L223 WeakPolarHBondContact O-CB 3.48Å; L219-L223 WeakPolarHBondContact O-CG 3.31Å; L219-L223 PolarHBondContact O-N 3.36Å |
| 224 | L | 79.3 | Confident | 75.2 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -91.6 | -1.8 | 177 | -73 | 106.7 | 0 | 0 | 0 | 113.8 | K220 R226 | K220-L224 HydrophobicContact CB-CD1 4.49Å; K220-L224 HydrophobicContact CG-CD1 3.53Å; K220-L224 WeakPolarHBondContact O-CB 3.32Å; K220-L224 WeakPolarHBondContact O-CD1 3.37Å; K220-L224 PolarHBondContact O-N 2.87Å; L224-R226 VanDerWaalsContact C-N 3.26Å; L224-R226 PolarHBondContact O-N 3.46Å |
| 225 | S | 71.6 | Confident | 73.5 | Confident | 38 Ų | 38 | 118.9 Ų | 118.9 | 27% | 0.266 | 64% | 0.642 | S | S | . | * | trans | -71 | 87.7 | 168.6 | -176 | 0 | 0 | 0 | 0 | 109.9 | G221 L222 R227 Q228 | G221-S225 WeakPolarHBondContact O-CA 3.35Å; G221-S225 WeakPolarHBondContact O-CB 3.5Å; G221-S225 PolarHBondContact O-N 3.35Å; L222-S225 PolarHBondContact O-N 3.27Å; S225-R227 PolarHBondContact O-N 2.87Å; S225-Q228 PolarHBondContact O-N 3.35Å | ||
| 226 | R | 62.7 | Low | 71.6 | Confident | 238 Ų | 238 | 118.1 Ų | 118.1 | 90% | 0.898 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 4.1 | 171.7 | -177.2 | 171.3 | 166.7 | -116.4 | -5.5 | 114.4 | L224 | L224-R226 VanDerWaalsContact C-N 3.26Å; L224-R226 PolarHBondContact O-N 3.46Å |
| 227 | R | 60.8 | Low | 70 | Confident | 234 Ų | 234 | 122.5 Ų | 122.5 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -3.9 | 177.5 | -62.4 | -174.3 | 179.7 | -128.1 | 3.5 | 114.3 | S225 | S225-R227 PolarHBondContact O-N 2.87Š|
| 228 | Q | 60.2 | Low | 68.4 | Low | 113 Ų | 113 | 124.6 Ų | 124.6 | 53% | 0.528 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -16.1 | 178 | -81.6 | 172.7 | -16.9 | 0 | 0 | 114 | L222 S225 | L222-Q228 VanDerWaalsContact CA-OE1 3.24Å; L222-Q228 PolarHBondContact O-OE1 2.92Å; L222-Q228 VanDerWaalsContact O-OE1 3.08Å; S225-Q228 PolarHBondContact O-N 3.35Å |
| 229 | F | 59 | Low | 66.9 | Low | 144 Ų | 144 | 124.1 Ų | 124.1 | 63% | 0.632 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -80 | 127.4 | 161.4 | -63.6 | -78.7 | 0 | 0 | 0 | 108.6 | S231 | F229-S231 PolarHBondContact O-N 3.21Š|
| 230 | P | 58.5 | Low | 65.4 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128 | 174.4 | 25 | -32.7 | 0 | 0 | 0 | 108.8 | T232 | P230-T232 PolarHBondContact O-N 2.89Š|
| 231 | S | 52.3 | Low | 64.2 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.9 | 171.3 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | F229 | F229-S231 PolarHBondContact O-N 3.21Š|
| 232 | T | 56.7 | Low | 63.1 | Low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133 | 177.9 | 41.4 | 0 | 0 | 0 | 0 | 109.7 | P230 A234 | P230-T232 PolarHBondContact O-N 2.89Å; T232-A234 PolarHBondContact O-N 3.45Å |
| 233 | P | 56.6 | Low | 61.9 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129.4 | -178.6 | 23.8 | -33.1 | 0 | 0 | 0 | 108.7 | I235 | P233-I235 PolarHBondContact O-N 3.49Š|
| 234 | A | 56.2 | Low | 60.6 | Low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -59.7 | 108.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T232 | T232-A234 PolarHBondContact O-N 3.45Š| ||
| 235 | I | 59.9 | Low | 59.2 | Low | 145 Ų | 145 | 133.9 Ų | 133.9 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | trans | -62 | 124.5 | 176 | -60.1 | 170.3 | 0 | 0 | 0 | 107.4 | P233 | P233-I235 PolarHBondContact O-N 3.49Š| ||
| 236 | P | 55.5 | Low | 57.7 | Low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -61.2 | 141 | -179.5 | 23.3 | -32.3 | 0 | 0 | 0 | 110.9 | I238 | P236-I238 PolarHBondContact O-N 2.91Å; P236-I238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | K | 59.9 | Low | 56.4 | Low | 208 Ų | 208 | 135.1 Ų | 135.1 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | -53.1 | 113.7 | -171.6 | -69.2 | 173.3 | 178.3 | 174.2 | 0 | 111.8 | P239 | K237-P239 WeakPolarHBondContact O-CD 3.4Š| ||
| 238 | I | 58.3 | Low | 55.7 | Low | 103 Ų | 103 | 129.8 Ų | 129.8 | 53% | 0.528 | 72% | 0.721 | S | S | . | * | trans | -66.1 | 123.5 | 168.4 | -52.4 | 173.7 | 0 | 0 | 0 | 107.6 | P236 Q242 | P236-I238 PolarHBondContact O-N 2.91Å; P236-I238 VanDerWaalsContact O-N 3.09Å; I238-Q242 HydrophobicContact CG2-CB 3.65Å; I238-Q242 HydrophobicContact CG2-CG 4.28Å | ||
| 239 | P | 61.3 | Low | 54.5 | Low | 72 Ų | 72 | 130.5 Ų | 130.5 | 47% | 0.468 | 74% | 0.739 | S | S | . | * | trans | -67.2 | 157.4 | 179.5 | 26.8 | -35.2 | 0 | 0 | 0 | 112.7 | K237 W241 Q242 | K237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-W241 HydrophobicContact CG-CZ2 4.47Å; P239-W241 VanDerWaalsContact CG-NE1 3.33Å; P239-W241 PolarHBondContact O-N 3.35Å; P239-Q242 PolarHBondContact O-N 2.86Å | ||
| 240 | S | 58.5 | Low | 53.4 | Low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -63.9 | -0.9 | -166.8 | 47.5 | 0 | 0 | 0 | 0 | 117 | ||
| 241 | W | 65.3 | Low | 52.3 | Low | 200 Ų | 200 | 128.9 Ų | 128.9 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -83.6 | -13.9 | 175.7 | 60.9 | -104.4 | 0 | 0 | 0 | 113.9 | P239 I243 | P239-W241 HydrophobicContact CG-CZ2 4.47Å; P239-W241 VanDerWaalsContact CG-NE1 3.33Å; P239-W241 PolarHBondContact O-N 3.35Å; W241-I243 VanDerWaalsContact C-N 3.27Å; W241-I243 PolarHBondContact O-N 2.89Å |
| 242 | Q | 64.1 | Low | 51.4 | Low | 111 Ų | 111 | 126.9 Ų | 126.9 | 52% | 0.519 | 75% | 0.751 | S | S | . | * | G | 310 helix | trans | -89.5 | 22.9 | 179.4 | -149.8 | -170.2 | -71 | 0 | 0 | 113.8 | I238 P239 P244 | I238-Q242 HydrophobicContact CG2-CB 3.65Å; I238-Q242 HydrophobicContact CG2-CG 4.28Å; P239-Q242 PolarHBondContact O-N 2.86Å; Q242-P244 WeakPolarHBondContact O-CD 3.43Å |
| 243 | I | 60.8 | Low | 50.2 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | -112.8 | 101.6 | -179 | -53.6 | 174.4 | 0 | 0 | 0 | 109 | W241 L245 | W241-I243 VanDerWaalsContact C-N 3.27Å; W241-I243 PolarHBondContact O-N 2.89Å; I243-L245 PolarHBondContact O-N 3.47Å | ||
| 244 | P | 54.2 | Low | 49.8 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -65.1 | 119.8 | 174.3 | -21.8 | 34.1 | 0 | 0 | 0 | 111.5 | Q242 | Q242-P244 WeakPolarHBondContact O-CD 3.43Š| ||
| 245 | L | 51.3 | Low | 48.8 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -73.4 | 124.3 | 168.4 | -67.9 | 169.8 | 0 | 0 | 0 | 109.5 | I243 | I243-L245 PolarHBondContact O-N 3.47Š| ||
| 246 | K | 40.4 | Very low | 47.8 | Very low | 199 Ų | 199 | 125.2 Ų | 125.2 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -132.7 | 133.2 | 166.9 | -166.2 | 65.8 | 178.1 | -178.1 | 0 | 111.4 | ||||
| 247 | S | 33.9 | Very low | 47 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -80.4 | 168.7 | -165.5 | -20 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 248 | P | 47.7 | Very low | 45.9 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -90 | 151.8 | -167.1 | 36.2 | -36 | 0 | 0 | 0 | 114.5 | ||||
| 249 | S | 34.7 | Very low | 45.2 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | 156.2 | 156.9 | 146.4 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 250 | G | 34.7 | Very low | 44.2 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 125.4 | 74.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 251 | V | 35.7 | Very low | 43.2 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | 0.8 | 135.5 | 142.7 | 177.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 252 | G | 32.8 | Very low | 42.2 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 103.8 | 113.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 253 | S | 33.4 | Very low | 41.4 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -142.4 | 162.8 | 161.5 | -131.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 254 | P | 47.5 | Very low | 40.4 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | cis | -131.7 | 173.4 | 1.3 | 40.8 | -24.8 | 0 | 0 | 0 | 114.9 | ||||
| 255 | S | 35.4 | Very low | 40 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -161.7 | 151.2 | 158.4 | -149.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 256 | V | 39.1 | Very low | 39.5 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 62% | 0.624 | 77% | 0.768 | S | S | * | * | cis | -147.5 | 148.4 | 31 | 169.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 257 | N | 37.3 | Very low | 40.5 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 141.9 | 165.8 | -78.2 | -26.7 | 0 | 0 | 0 | 111.8 | ||||
| 258 | H | 37.8 | Very low | 40.9 | Very low | 185 Ų | 185 | 120.9 Ų | 120.9 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -118.7 | 108.3 | 155.4 | -75.3 | -66.6 | 0 | 0 | 0 | 111.3 | ||||
| 259 | T | 43.5 | Very low | 40.5 | Very low | 123 Ų | 123 | 120 Ų | 120 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -116 | 131.7 | 170.2 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 260 | N | 39.9 | Very low | 40.6 | Very low | 157 Ų | 157 | 119.4 Ų | 119.4 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -172.3 | 145.5 | 155.2 | -122.4 | -7.6 | 0 | 0 | 0 | 107.6 | ||||
| 261 | S | 37.1 | Very low | 41 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | cis | -163.4 | 156.6 | -4.4 | -147 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 262 | S | 45.5 | Very low | 41.2 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 55.7 | 135.9 | 133.1 | -166.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 263 | S | 45.9 | Very low | 41.2 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | cis | -169.6 | 171.6 | -9.5 | -117.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 264 | D | 41.1 | Very low | 41.3 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | 27.8 | 135.7 | 143.3 | -63.1 | -96.1 | 0 | 0 | 0 | 120.4 | ||||
| 265 | I | 46 | Very low | 40.5 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | -140.7 | 140 | 66.1 | -81.7 | 161.1 | 0 | 0 | 0 | 114.5 | |||||
| 266 | S | 39.8 | Very low | 40.6 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -43.1 | 165.2 | -177 | -61.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 267 | P | 62.5 | Low | 41.2 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | -99.8 | 174.4 | 170.6 | 42.1 | -37 | 0 | 0 | 0 | 113.8 | ||||
| 268 | V | 41.2 | Very low | 41 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | trans | -167.7 | 154.3 | 147.2 | -80.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 269 | S | 40.4 | Very low | 40.9 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | cis | -167.7 | 170 | -13.5 | -99.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 270 | N | 36.5 | Very low | 40.3 | Very low | 116 Ų | 116 | 121 Ų | 121 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | cis | -149.9 | 139.6 | 13 | -133.2 | 42.8 | 0 | 0 | 0 | 107.1 | ||||
| 271 | E | 42.1 | Very low | 39.8 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | 66.3 | 95.9 | 103.2 | -165.1 | 173.2 | 95.9 | 0 | 0 | 114.2 | |||||
| 272 | S | 40.8 | Very low | 39.6 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | 82.5 | 155.3 | 97.3 | -53.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 273 | A | 33.3 | Very low | 38.9 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | cis | -152.4 | 157.2 | 13.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 274 | N | 33.7 | Very low | 38.3 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 71 | 97.4 | 130.1 | -166.5 | 75.9 | 0 | 0 | 0 | 121.3 | ||||
| 275 | S | 32.1 | Very low | 38.7 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | 78.5 | 115.9 | 122 | -53.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 276 | S | 38 | Very low | 38 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -59.7 | -175.9 | 146.7 | -35.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 277 | P | 51 | Low | 37.6 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | cis | -142.4 | 177.1 | 4.5 | 43.2 | -24.9 | 0 | 0 | 0 | 117.7 | ||||
| 278 | V | 32.2 | Very low | 36.2 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | 73 | 145.9 | 149.5 | 107.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 279 | K | 36.8 | Very low | 35.9 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | -164.6 | 162.8 | 38 | -139.4 | 177.9 | 162.8 | -76.6 | 0 | 113.2 | ||||
| 280 | D | 30.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 54.6 | 147.8 | 158 | -50.2 | -40.9 | 0 | 0 | 0 | 119 | ||||
| 281 | G | 29.5 | Very low | 35 | Very low | 56 Ų | 56 | 124 Ų | 124 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | cis | 155.1 | 138.6 | -3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 282 | H | 31.7 | Very low | 35.8 | Very low | 191 Ų | 191 | 122.1 Ų | 122.1 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | trans | 69.1 | 143 | 179.7 | -45.9 | -91.5 | 0 | 0 | 0 | 114.7 | ||||
| 283 | Q | 32.2 | Very low | 35.4 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | cis | -142.1 | 149 | 23.2 | -62.6 | 163.2 | 49.7 | 0 | 0 | 112.5 | ||||
| 284 | S | 33.3 | Very low | 35.3 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -109.9 | -178.4 | 159.3 | -62.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 285 | P | 48.9 | Very low | 35.2 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -148 | -177.1 | 14.2 | 46.3 | -26.4 | 0 | 0 | 0 | 117.9 | ||||
| 286 | Q | 32.2 | Very low | 35.4 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | trans | 44.2 | 159.5 | 134.7 | -71.5 | 166 | -75.6 | 0 | 0 | 120.9 | ||||
| 287 | E | 30 | Very low | 35 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -161 | 138.2 | 1.5 | -117 | 154.2 | 173.7 | 0 | 0 | 106.4 | ||||
| 288 | A | 33.2 | Very low | 34.2 | Very low | 82 Ų | 82 | 126 Ų | 126 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 79.5 | 155.2 | 87.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 289 | L | 35 | Very low | 34.3 | Very low | 182 Ų | 182 | 127 Ų | 127 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | trans | 82.7 | 135.8 | 163.1 | -54.5 | 169.5 | 0 | 0 | 0 | 120.4 | ||||
| 290 | G | 29.8 | Very low | 34 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | 128.5 | 89.5 | 142 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 291 | G | 29 | Very low | 34 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -97.2 | -164.6 | 136.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 292 | P | 57.5 | Low | 34.1 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -140.6 | -160.4 | 2.9 | 38.3 | -15.8 | 0 | 0 | 0 | 114.6 | ||||
| 293 | D | 33 | Very low | 34.1 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 83 | 137.7 | 151.5 | -69.4 | -28.7 | 0 | 0 | 0 | 124.6 | ||||
| 294 | G | 30.9 | Very low | 34 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 96.1 | 129 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 295 | A | 33 | Very low | 34.1 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 153 | 148 | -22.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 296 | H | 34.7 | Very low | 34.1 | Very low | 188 Ų | 188 | 124.1 Ų | 124.1 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | 65.7 | 141.4 | -177.2 | -61.6 | -90.4 | 0 | 0 | 0 | 116.1 | ||||
| 297 | G | 29.9 | Very low | 34.7 | Very low | 71 Ų | 71 | 122.1 Ų | 122.1 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 165.2 | 170.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 298 | M | 34.7 | Very low | 34.9 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | cis | -152.9 | -171.3 | 0.2 | -65.7 | -177 | 57.6 | 0 | 0 | 109.3 | ||||
| 299 | N | 34.3 | Very low | 34.8 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 123.6 | 178.9 | -56.7 | -1.5 | 0 | 0 | 0 | 114.3 | ||||
| 300 | G | 30.9 | Very low | 34.8 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | 87.5 | 117.1 | 24.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 301 | D | 31 | Very low | 35.3 | Very low | 178 Ų | 178 | 126 Ų | 126 | 95% | 0.952 | 78% | 0.778 | S | S | * | * | cis | -123 | 176.4 | 40.1 | -67.1 | -56.6 | 0 | 0 | 0 | 116.3 | ||||
| 302 | A | 31.4 | Very low | 35.7 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -122.2 | 162.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 303 | Q | 30.6 | Very low | 34.9 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 69.3 | 140.9 | 154.8 | -110.3 | 168.2 | 3.9 | 0 | 0 | 115.9 | ||||
| 304 | T | 30.9 | Very low | 35.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | cis | -158.3 | 155.7 | 25.1 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 305 | T | 36.1 | Very low | 35.7 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -132.8 | 166.3 | 159.5 | 55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 306 | P | 47.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -111.8 | -161.1 | -56.6 | 34 | -17.9 | 0 | 0 | 0 | 109.6 | |||||
| 307 | P | 45.4 | Very low | 35.9 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -151.6 | 155.3 | 93 | 37.9 | -19.5 | 0 | 0 | 0 | 117.7 | |||||
| 308 | L | 33.6 | Very low | 36.2 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 61.6 | 123.8 | 142.1 | -68.4 | 170.9 | 0 | 0 | 0 | 122.9 | ||||
| 309 | D | 31.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | 69.6 | 99.3 | 123.9 | -158.9 | 51.4 | 0 | 0 | 0 | 119.9 | |||||
| 310 | Q | 34.6 | Very low | 36.7 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | -176.2 | 137.3 | 97.1 | -122.6 | 148.6 | 70.3 | 0 | 0 | 112.7 | |||||
| 311 | V | 40.9 | Very low | 37.1 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -85.4 | 118.8 | 160 | 173.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 312 | R | 37.5 | Very low | 37.4 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -131.2 | 116.9 | 170.7 | -171.8 | 168.5 | -177.8 | 148.8 | -1.2 | 110 | E314 | R312-E314 PolarHBondContact O-N 3.45Š| ||
| 313 | M | 41.3 | Very low | 38.1 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | -66.9 | 124.5 | 164.5 | -68.2 | 175.5 | -177.3 | 0 | 0 | 108.2 | ||||
| 314 | E | 37.6 | Very low | 38.5 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -99.2 | 100.5 | 164.8 | -160.4 | 168.8 | 160 | 0 | 0 | 107.6 | R312 Q316 | R312-E314 PolarHBondContact O-N 3.45Å; E314-Q316 PolarHBondContact O-N 3.45Å | ||
| 315 | V | 42.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -80.2 | 108.4 | 171.5 | 176 | 0 | 0 | 0 | 0 | 106.6 | G317 | V315-G317 PolarHBondContact O-N 3.47Š| ||
| 316 | Q | 34.8 | Very low | 39.4 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -72 | 97.2 | 174.9 | -170.5 | 161 | 12.2 | 0 | 0 | 109 | E314 | E314-Q316 PolarHBondContact O-N 3.45Š| ||
| 317 | G | 36.3 | Very low | 39.1 | Very low | 64 Ų | 64 | 160 Ų | 160 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | -79.2 | 116 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V315 E319 | V315-G317 PolarHBondContact O-N 3.47Å; G317-E319 PolarHBondContact O-N 2.88Å | ||
| 318 | E | 37.8 | Very low | 38.8 | Very low | 187 Ų | 187 | 162.9 Ų | 162.9 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -83.9 | 104.7 | 163.9 | -66.1 | -174.8 | 127.3 | 0 | 0 | 108 | ||||
| 319 | E | 41.4 | Very low | 39 | Very low | 192 Ų | 192 | 161.6 Ų | 161.6 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -79.7 | 122 | 170.5 | -70.4 | -171.7 | 137.6 | 0 | 0 | 109.8 | G317 K321 | G317-E319 PolarHBondContact O-N 2.88Å; E319-K321 PolarHBondContact O-N 2.93Å; E319-K321 VanDerWaalsContact O-N 3.09Å | ||
| 320 | E | 38.1 | Very low | 39.4 | Very low | 198 Ų | 198 | 160.9 Ų | 160.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -63.2 | 108.9 | 169.3 | -76.9 | -172.9 | 122.3 | 0 | 0 | 110.2 | K322 | E320-K322 PolarHBondContact O-N 3.26Š| ||
| 321 | K | 37.4 | Very low | 39.4 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 74% | 0.735 | 80% | 0.801 | S | S | * | * | trans | -83.7 | 99 | 170.6 | -160.6 | -171.3 | -178.8 | -154.6 | 0 | 110 | E319 E323 | E319-K321 PolarHBondContact O-N 2.93Å; E319-K321 VanDerWaalsContact O-N 3.09Å; K321-E323 WeakPolarHBondContact CE-OE1 3.29Å; K321-E323 IonicContact NZ-OE1 3.8Å; K321-E323 PolarHBondContact NZ-OE1 3.05Å; K321-E323 PolarHBondContact O-N 3.09Å | ||
| 322 | K | 39.2 | Very low | 39.2 | Very low | 162 Ų | 162 | 160.6 Ų | 160.6 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | trans | -64.2 | 114.1 | 167.1 | -177 | 175.1 | -176.7 | -104.7 | 0 | 109.4 | E320 E324 | E320-K322 PolarHBondContact O-N 3.26Å; K322-E324 IonicContact NZ-OE1 3.62Å; K322-E324 PolarHBondContact NZ-OE1 3.23Å | ||
| 323 | E | 44.7 | Very low | 39.2 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -110.6 | 133.3 | 163.1 | -73.4 | -175.1 | 170.8 | 0 | 0 | 108.9 | K321 | K321-E323 WeakPolarHBondContact CE-OE1 3.29Å; K321-E323 IonicContact NZ-OE1 3.8Å; K321-E323 PolarHBondContact NZ-OE1 3.05Å; K321-E323 PolarHBondContact O-N 3.09Å | ||
| 324 | E | 39.3 | Very low | 39.1 | Very low | 151 Ų | 151 | 156.9 Ų | 156.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -99.1 | 135.4 | -178.5 | -63.7 | 168.1 | 160.2 | 0 | 0 | 106.7 | K322 | K322-E324 IonicContact NZ-OE1 3.62Å; K322-E324 PolarHBondContact NZ-OE1 3.23Å | ||
| 325 | D | 43.8 | Very low | 38.9 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 149.6 | 167.3 | -109 | -28.9 | 0 | 0 | 0 | 109.2 | ||||
| 326 | E | 42.3 | Very low | 38.6 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 149.1 | -147.2 | -62.4 | 174.1 | 144.8 | 0 | 0 | 115.1 | ||||
| 327 | E | 40.6 | Very low | 38.7 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | 21.8 | 125.9 | 135.1 | -50.8 | -169.6 | 174.6 | 0 | 0 | 119.8 | ||||
| 328 | D | 40.8 | Very low | 38.7 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | trans | -151.7 | 142.2 | 132.5 | -123.5 | -22.5 | 0 | 0 | 0 | 113.7 | ||||
| 329 | D | 36.3 | Very low | 38.6 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -70.7 | 145.5 | -160.2 | -172.2 | 22.2 | 0 | 0 | 0 | 117.2 | ||||
| 330 | V | 39.9 | Very low | 38.3 | Very low | 109 Ų | 109 | 149 Ų | 149 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | 152.1 | 119.6 | 115 | -74.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 331 | S | 34.8 | Very low | 38.6 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 66.3 | 152.4 | 150.2 | 79.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 332 | H | 36.8 | Very low | 38.7 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | cis | -147 | 164 | 10.7 | -169.3 | 73.8 | 0 | 0 | 0 | 111.7 | ||||
| 333 | V | 38.4 | Very low | 39.2 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | trans | -76.6 | 151.2 | -171.1 | -76.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 334 | E | 38.7 | Very low | 39.2 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | 171.7 | 157.9 | 129.4 | -96.6 | -174.8 | 149.4 | 0 | 0 | 110.5 | |||||
| 335 | A | 33.5 | Very low | 39 | Very low | 75 Ų | 75 | 149.2 Ų | 149.2 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | cis | -168.9 | 139.8 | -49.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 336 | L | 36.6 | Very low | 38.8 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 67.9 | 153.2 | 164.9 | -53.2 | 161.5 | 0 | 0 | 0 | 116.6 | ||||
| 337 | S | 35.5 | Very low | 38.9 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -154.1 | 129.1 | 8.5 | -23.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 338 | I | 37.3 | Very low | 38.9 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | 57 | 103.4 | 81.6 | -58.9 | 178 | 0 | 0 | 0 | 117.3 | |||||
| 339 | Q | 34.6 | Very low | 39 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 163.6 | 117.5 | 134.7 | -95 | 157.4 | 28.7 | 0 | 0 | 109.3 | ||||
| 340 | T | 36.2 | Very low | 39.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | 50.4 | 141.7 | 69.7 | 64.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 341 | E | 44.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | cis | 177.7 | 137.1 | -12.7 | 172.9 | 173.1 | 160.7 | 0 | 0 | 105.8 | R343 | E341-R343 IonicContact OE1-NH1 2.64Š| ||
| 342 | D | 38.5 | Very low | 39.6 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -161.2 | 159.2 | 149.9 | -150.3 | -0.7 | 0 | 0 | 0 | 113.4 | ||||
| 343 | R | 51 | Low | 39.5 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 75% | 0.751 | 80% | 0.801 | S | S | * | * | trans | -118.6 | 176.9 | -177.4 | -83.8 | 180 | 154.9 | 90.8 | -2.5 | 111.3 | E341 | E341-R343 IonicContact OE1-NH1 2.64Š| ||
| 344 | R | 43 | Very low | 39.8 | Very low | 248 Ų | 248 | 148.7 Ų | 148.7 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | 75.4 | 129.3 | 158.4 | -173.2 | -170.8 | -76.1 | -112.1 | 1.4 | 113.9 | ||||
| 345 | G | 36.4 | Very low | 40 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | cis | 140.5 | 131.5 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 346 | G | 38.7 | Very low | 40.5 | Very low | 81 Ų | 81 | 152 Ų | 152 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 162.4 | 129.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 347 | D | 44.8 | Very low | 40.9 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -68.7 | 164.5 | -177.7 | -71.2 | -81.9 | 0 | 0 | 0 | 116.2 | ||||
| 348 | G | 40 | Very low | 41.1 | Very low | 77 Ų | 77 | 154.5 Ų | 154.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 176.5 | 71.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 349 | Q | 43.5 | Very low | 41.6 | Very low | 192 Ų | 192 | 158.7 Ų | 158.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -69 | 140.5 | 161.2 | -73 | 176.6 | -34.2 | 0 | 0 | 110.4 | ||||
| 350 | I | 46.4 | Very low | 42.9 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | -160.4 | 152.7 | 126.2 | 37.7 | 171.1 | 0 | 0 | 0 | 111.9 | |||||
| 351 | N | 35.5 | Very low | 43.4 | Very low | 147 Ų | 147 | 159.2 Ų | 159.2 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -86.3 | -179.9 | 178.8 | 179.3 | 47.2 | 0 | 0 | 0 | 111.9 | ||||
| 352 | E | 42.2 | Very low | 43.2 | Very low | 151 Ų | 151 | 155 Ų | 155 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 86.1 | 99.7 | 151.2 | -157.7 | 177.8 | 125.5 | 0 | 0 | 119.3 | ||||
| 353 | Q | 35.2 | Very low | 43.2 | Very low | 190 Ų | 190 | 152 Ų | 152 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | -163 | 112.9 | 115.4 | -112 | 164 | 86.7 | 0 | 0 | 112.8 | |||||
| 354 | V | 43.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -110.2 | 161.3 | 155.6 | -74.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 355 | D | 42.5 | Very low | 42.9 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 70.1 | 89.8 | 168.8 | -68.6 | -62.7 | 0 | 0 | 0 | 120.5 | ||||
| 356 | K | 44.8 | Very low | 43.6 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -153.1 | 95.4 | 131.8 | -115.8 | 146.7 | -176.7 | 168.7 | 0 | 110.9 | ||||
| 357 | L | 45.6 | Very low | 44 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 59% | 0.592 | 79% | 0.794 | S | S | * | * | 91.3 | 107.4 | 84.1 | -109.9 | 72.4 | 0 | 0 | 0 | 114.7 | |||||
| 358 | R | 39.1 | Very low | 44.5 | Very low | 205 Ų | 205 | 148.5 Ų | 148.5 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | 75.2 | 88.9 | 122.5 | -167.2 | 176.3 | -73.1 | 147 | -0.7 | 120.1 | |||||
| 359 | R | 48.6 | Very low | 45 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | 72.7 | -179.6 | 115.1 | -130.4 | -160.2 | -177.3 | 148.8 | 5 | 116.9 | |||||
| 360 | P | 60.3 | Low | 45.1 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | -123.7 | 165.5 | -107.6 | 42.4 | -27 | 0 | 0 | 0 | 114.5 | |||||
| 361 | E | 47.2 | Very low | 45.1 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -156.8 | 157.1 | 143.2 | -72.9 | -147.1 | 141 | 0 | 0 | 106.6 | ||||
| 362 | G | 40 | Very low | 45.6 | Very low | 65 Ų | 65 | 151.4 Ų | 151.4 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | cis | 133.2 | 124.7 | 4.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 363 | A | 39.6 | Very low | 45.8 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 77.5 | 125.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 364 | S | 42.9 | Very low | 46.4 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 73.9 | 153.5 | 142.1 | -50.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 365 | N | 43.7 | Very low | 46.6 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | cis | -146.8 | 158.4 | 11.2 | 5.6 | -87.1 | 0 | 0 | 0 | 113 | ||||
| 366 | E | 51.7 | Low | 46.9 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -63.6 | 156.2 | 168.3 | 61.2 | -106.1 | 59.9 | 0 | 0 | 115.3 | ||||
| 367 | S | 48.4 | Very low | 47 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 158.4 | 148.8 | 145 | 39.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 368 | E | 54.9 | Low | 47.1 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | cis | 163.5 | 131.1 | -25.4 | 169.1 | 166.4 | 89 | 0 | 0 | 104.4 | ||||
| 369 | V | 49.7 | Very low | 47.8 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | trans | 64 | 140.7 | 167.1 | 167.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 370 | D | 46.7 | Very low | 47.7 | Very low | 226 Ų | 226 | 138.1 Ų | 138.1 | 100% | 1.209 | 81% | 0.811 | S | S | * | * | cis | -134.5 | 0 | 31.3 | -150.7 | -92.5 | 0 | 0 | 0 | 111.9 |
Retrieved 370 of 370 residues in 560.2 ms
(Link to these results)