| 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 | 50 | Low | 63.2 | Low | 248 Ų | 248 | 193.5 Ų | 193.5 | 100% | 1.222 | 91% | 0.913 | S | S | * | * | 0 | 120.2 | 0 | -60.8 | -173.9 | 113.6 | 0 | 0 | 108.4 | |||||
| 2 | K | 60.4 | Low | 62.8 | Low | 213 Ų | 213 | 187.8 Ų | 187.8 | 93% | 0.926 | 90% | 0.901 | S | S | * | * | trans | -109 | 109.5 | 178.5 | -70.1 | 178.6 | 178.7 | 177.4 | 0 | 108.2 | ||||
| 3 | S | 66 | Low | 62.3 | Low | 124 Ų | 124 | 183.8 Ų | 183.8 | 87% | 0.867 | 90% | 0.896 | S | S | * | * | trans | -78.1 | 121.7 | 177.9 | 40.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | R | 70.3 | Confident | 61.7 | Low | 246 Ų | 246 | 181.7 Ų | 181.7 | 93% | 0.928 | 89% | 0.891 | S | S | * | * | trans | -79.3 | 128.4 | 169.5 | -80.9 | -179.2 | 171.3 | -178.4 | -2.4 | 109.1 | V6 | R4-V6 PolarHBondContact O-N 3.1Š| ||
| 5 | K | 69.1 | Low | 61 | Low | 210 Ų | 210 | 181.3 Ų | 181.3 | 91% | 0.913 | 89% | 0.893 | S | S | * | * | trans | -80.4 | 109.1 | 177.8 | -147.5 | 168.9 | -172.6 | 174.8 | 0 | 108.8 | ||||
| 6 | V | 70.9 | Confident | 59.9 | Low | 132 Ų | 132 | 175 Ų | 175 | 80% | 0.8 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.4 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 108 | R4 | R4-V6 PolarHBondContact O-N 3.1Š|
| 7 | R | 67.8 | Low | 58.9 | Low | 241 Ų | 241 | 170.9 Ų | 170.9 | 91% | 0.909 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -80 | 130.8 | 172.8 | -70.6 | -179.6 | -169.4 | 146.3 | 2 | 108.9 | ||
| 8 | C | 59.3 | Low | 58.2 | Low | 127 Ų | 127 | 167.8 Ų | 167.8 | 86% | 0.858 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.2 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 111 | ||
| 9 | L | 62 | Low | 57.7 | Low | 162 Ų | 162 | 164.8 Ų | 164.8 | 85% | 0.848 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 123.3 | 169.1 | -169.5 | 66.9 | 0 | 0 | 0 | 108.3 | Q11 | L9-Q11 PolarHBondContact O-N 3.1Š|
| 10 | R | 56.2 | Low | 57.4 | Low | 241 Ų | 241 | 163.6 Ų | 163.6 | 91% | 0.909 | 87% | 0.871 | S | S | * | * | trans | -77.6 | 112.6 | 171.9 | -79.1 | -176.3 | 175.9 | -160.3 | -1.8 | 108.7 | ||||
| 11 | Q | 63.6 | Low | 57 | Low | 184 Ų | 184 | 161.1 Ų | 161.1 | 86% | 0.86 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 129.8 | 162.2 | -74.1 | 176.5 | -32.7 | 0 | 0 | 108.7 | L9 | L9-Q11 PolarHBondContact O-N 3.1Š|
| 12 | T | 58.6 | Low | 56.7 | Low | 126 Ų | 126 | 158 Ų | 158 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 129.8 | 165.7 | 47.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 13 | T | 55.4 | Low | 56 | Low | 136 Ų | 136 | 156.1 Ų | 156.1 | 83% | 0.834 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.6 | 177.9 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 14 | D | 54.5 | Low | 54.9 | Low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 143.1 | 167.2 | -66.5 | -39.6 | 0 | 0 | 0 | 110.4 | ||
| 15 | L | 50.5 | Low | 53.8 | Low | 176 Ų | 176 | 154.1 Ų | 154.1 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 128 | -176.9 | -67.6 | 165 | 0 | 0 | 0 | 110.4 | ||
| 16 | G | 43.5 | Very low | 52.5 | Low | 80 Ų | 80 | 150.7 Ų | 150.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 131.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 17 | A | 43.1 | Very low | 51 | Low | 105 Ų | 105 | 152 Ų | 152 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78 | 147.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 18 | S | 45.7 | Very low | 49.5 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -149.6 | 141.5 | 162.3 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 19 | S | 50.1 | Low | 48.6 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 82.9 | 97.1 | 172.7 | -94.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 20 | D | 51.6 | Low | 47.3 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | 88.1 | 98.2 | 57.3 | -172.7 | 33.3 | 0 | 0 | 0 | 112 | |||||
| 21 | S | 48.4 | Very low | 46.7 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | 168.9 | 138.1 | 131.5 | -76.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 22 | E | 44.2 | Very low | 46.2 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -87.9 | 165.2 | -167.1 | -50.1 | -168.5 | 160.8 | 0 | 0 | 113.8 | ||||
| 23 | E | 45.2 | Very low | 45.9 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 130.1 | 106.5 | 146.9 | -67.1 | -163.6 | 174.3 | 0 | 0 | 115.1 | ||||
| 24 | D | 43.9 | Very low | 46 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | 37.4 | 115.4 | 137.8 | -65.3 | -21.6 | 0 | 0 | 0 | 119.5 | ||||
| 25 | H | 46 | Very low | 46.1 | Very low | 187 Ų | 187 | 128 Ų | 128 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | -168.6 | 139.3 | 112.9 | -99 | -64.3 | 0 | 0 | 0 | 113 | |||||
| 26 | L | 42.4 | Very low | 47.2 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | -55.8 | 148.4 | -179.5 | -76.4 | 141.3 | 0 | 0 | 0 | 116 | ||||
| 27 | E | 39 | Very low | 49.1 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 74.3 | 141.6 | 139.6 | -70.4 | 175.7 | -163.5 | 0 | 0 | 120.7 | ||||
| 28 | N | 35.7 | Very low | 51.2 | Low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | 81.4 | 96.4 | 165.9 | -59.8 | -29.6 | 0 | 0 | 0 | 118.2 | ||||
| 29 | S | 41 | Very low | 53.2 | Low | 106 Ų | 106 | 121.5 Ų | 121.5 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | 171.6 | 92.7 | 110.5 | -76.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 30 | T | 35.8 | Very low | 55.2 | Low | 147 Ų | 147 | 120.3 Ų | 120.3 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | trans | -55.1 | 128.7 | 155.4 | -48.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 31 | A | 41.7 | Very low | 57.1 | Low | 85 Ų | 85 | 117 Ų | 117 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 82.1 | 85.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 32 | P | 53.9 | Low | 59.2 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | S | Bend | -143.9 | 7.1 | 96.1 | 34.7 | -17.8 | 0 | 0 | 0 | 116.4 | V34 | P32-V34 PolarHBondContact O-N 3.1Å; P32-V34 VanDerWaalsContact O-N 3.13Å | |
| 33 | V | 53.2 | Low | 61.4 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.2 | -18.4 | -173.3 | -177.6 | 0 | 0 | 0 | 0 | 114.2 | A35 | V33-A35 PolarHBondContact O-N 3.18Å |
| 34 | V | 56.4 | Low | 63.6 | Low | 107 Ų | 107 | 106.3 Ų | 106.3 | 65% | 0.648 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -32.5 | -175.1 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | P32 S37 T38 | P32-V34 PolarHBondContact O-N 3.1Å; P32-V34 VanDerWaalsContact O-N 3.13Å; V34-S37 PolarHBondContact O-N 3.49Å; V34-S37 PolarHBondContact O-OG 2.89Å; V34-T38 PolarHBondContact O-N 3.11Å |
| 35 | A | 57.5 | Low | 66 | Low | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V33 S37 T38 V39 | V33-A35 PolarHBondContact O-N 3.18Å; A35-S37 VanDerWaalsContact C-N 3.3Å; A35-S37 PolarHBondContact O-N 3.1Å; A35-T38 PolarHBondContact O-N 3.41Å; A35-T38 PolarHBondContact O-OG1 3.39Å; A35-V39 PolarHBondContact O-N 2.67Å |
| 36 | D | 73.5 | Confident | 68.1 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.9 | -35.6 | 177.8 | -70.4 | -15.8 | 0 | 0 | 0 | 111.6 | T38 V39 V40 | D36-T38 VanDerWaalsContact C-N 3.3Å; D36-T38 PolarHBondContact O-N 3.25Å; D36-V39 PolarHBondContact O-N 3.45Å; D36-V40 VanDerWaalsContact O-CG2 3.32Å; D36-V40 WeakPolarHBondContact O-CG2 3.37Å; D36-V40 PolarHBondContact O-N 2.95Å |
| 37 | S | 82.9 | Confident | 70.4 | Confident | 58 Ų | 58 | 102.5 Ų | 102.5 | 41% | 0.406 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.6 | -37.1 | 177.4 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | V34 A35 V41 | V34-S37 PolarHBondContact O-N 3.49Å; V34-S37 PolarHBondContact O-OG 2.89Å; A35-S37 VanDerWaalsContact C-N 3.3Å; A35-S37 PolarHBondContact O-N 3.1Å; S37-V41 WeakPolarHBondContact O-CB 3.08Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 3.23Å |
| 38 | T | 87.6 | Confident | 72.9 | Confident | 73 Ų | 73 | 100.4 Ų | 100.4 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.4 | -41.5 | 177.1 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | V34 A35 D36 V41 E42 | V34-T38 PolarHBondContact O-N 3.11Å; A35-T38 PolarHBondContact O-N 3.41Å; A35-T38 PolarHBondContact O-OG1 3.39Å; D36-T38 VanDerWaalsContact C-N 3.3Å; D36-T38 PolarHBondContact O-N 3.25Å; T38-V41 PolarHBondContact O-N 3.09Å; T38-E42 WeakPolarHBondContact O-CG 3.3Å; T38-E42 PolarHBondContact O-N 3.42Å |
| 39 | V | 87.6 | Confident | 75.5 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 56% | 0.558 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.5 | -42.9 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 111 | A35 D36 E42 A43 | A35-V39 PolarHBondContact O-N 2.67Å; D36-V39 PolarHBondContact O-N 3.45Å; V39-E42 PolarHBondContact O-N 3.45Å; V39-A43 WeakPolarHBondContact O-CB 3.5Å; V39-A43 PolarHBondContact O-N 3.27Å |
| 40 | V | 90.9 | Very high | 77.7 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.2 | -42.1 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | D36 A43 I44 | D36-V40 VanDerWaalsContact O-CG2 3.32Å; D36-V40 WeakPolarHBondContact O-CG2 3.37Å; D36-V40 PolarHBondContact O-N 2.95Å; V40-A43 PolarHBondContact O-N 3.35Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.49Å; V40-I44 VanDerWaalsContact O-CG1 3.24Å; V40-I44 WeakPolarHBondContact O-CG1 3.23Å; V40-I44 PolarHBondContact O-N 3.41Å |
| 41 | V | 93 | Very high | 80.3 | Confident | 70 Ų | 70 | 105.6 Ų | 105.6 | 42% | 0.424 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | S37 T38 I44 R45 | S37-V41 WeakPolarHBondContact O-CB 3.08Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 3.23Å; T38-V41 PolarHBondContact O-N 3.09Å; V41-I44 PolarHBondContact O-N 3.02Å; V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 VanDerWaalsContact O-CG 3.31Å; V41-R45 WeakPolarHBondContact O-CG 3.13Å; V41-R45 PolarHBondContact O-N 2.86Å |
| 42 | E | 91.1 | Very high | 82.4 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64 | -46.6 | 174.8 | -74.8 | -178.6 | 175.4 | 0 | 0 | 111.7 | T38 V39 I44 R45 E46 | T38-E42 WeakPolarHBondContact O-CG 3.3Å; T38-E42 PolarHBondContact O-N 3.42Å; V39-E42 PolarHBondContact O-N 3.45Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 2.91Å; E42-R45 WeakPolarHBondContact O-CB 3.43Å; E42-R45 PolarHBondContact O-N 2.95Å; E42-R45 VanDerWaalsContact O-N 3.1Å; E42-E46 WeakPolarHBondContact O-CG 3.09Å; E42-E46 PolarHBondContact O-N 3.31Å |
| 43 | A | 91.1 | Very high | 83.8 | Confident | 46 Ų | 46 | 115.5 Ų | 115.5 | 38% | 0.38 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.6 | -40.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V39 V40 E46 L47 | V39-A43 WeakPolarHBondContact O-CB 3.5Å; V39-A43 PolarHBondContact O-N 3.27Å; V40-A43 PolarHBondContact O-N 3.35Å; A43-E46 PolarHBondContact O-N 3.47Å; A43-L47 WeakPolarHBondContact O-CG 3.13Å; A43-L47 PolarHBondContact O-N 2.86Å |
| 44 | I | 91.9 | Very high | 85.1 | Confident | 82 Ų | 82 | 116.2 Ų | 116.2 | 42% | 0.421 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.2 | -40.6 | 175.1 | -69 | 166.2 | 0 | 0 | 0 | 110.9 | V40 V41 E42 E46 L47 Q48 | V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.49Å; V40-I44 VanDerWaalsContact O-CG1 3.24Å; V40-I44 WeakPolarHBondContact O-CG1 3.23Å; V40-I44 PolarHBondContact O-N 3.41Å; V41-I44 PolarHBondContact O-N 3.02Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 2.91Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 3.24Å; I44-L47 PolarHBondContact O-N 3.37Å; I44-Q48 HydrophobicContact CG2-CG 4.48Å; I44-Q48 WeakPolarHBondContact O-CB 3.11Å; I44-Q48 VanDerWaalsContact O-CG 3.31Å; I44-Q48 WeakPolarHBondContact O-CG 3.31Å; I44-Q48 PolarHBondContact O-N 2.85Å |
| 45 | R | 92.8 | Very high | 86.2 | Confident | 151 Ų | 151 | 115.9 Ų | 115.9 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.7 | -38.5 | 176.4 | -77 | 174.1 | 174.8 | -178.3 | 0.4 | 111.6 | V41 E42 Q48 K49 | V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 VanDerWaalsContact O-CG 3.31Å; V41-R45 WeakPolarHBondContact O-CG 3.13Å; V41-R45 PolarHBondContact O-N 2.86Å; E42-R45 WeakPolarHBondContact O-CB 3.43Å; E42-R45 PolarHBondContact O-N 2.95Å; E42-R45 VanDerWaalsContact O-N 3.1Å; R45-Q48 PolarHBondContact O-N 3.36Å; R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.12Å |
| 46 | E | 91.6 | Very high | 87.2 | Confident | 125 Ų | 125 | 116.4 Ų | 116.4 | 58% | 0.584 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -46.1 | 174.3 | -70.2 | -175.5 | 169.6 | 0 | 0 | 112.1 | E42 A43 I44 Q48 K49 L50 | E42-E46 WeakPolarHBondContact O-CG 3.09Å; E42-E46 PolarHBondContact O-N 3.31Å; A43-E46 PolarHBondContact O-N 3.47Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 3.24Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 2.96Å; E46-K49 WeakPolarHBondContact O-CB 3.29Å; E46-K49 PolarHBondContact O-N 2.9Å; E46-K49 VanDerWaalsContact O-N 3.08Å; E46-L50 PolarHBondContact O-N 3.23Å |
| 47 | L | 90.2 | Very high | 87.4 | Confident | 109 Ų | 109 | 115.8 Ų | 115.8 | 57% | 0.571 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.3 | -36.7 | 173.8 | -75.1 | 171.2 | 0 | 0 | 0 | 112.4 | A43 I44 L50 R51 | A43-L47 WeakPolarHBondContact O-CG 3.13Å; A43-L47 PolarHBondContact O-N 2.86Å; I44-L47 PolarHBondContact O-N 3.37Å; L47-L50 PolarHBondContact O-N 3Å; L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 3.05Å; L47-R51 VanDerWaalsContact O-N 3.16Å |
| 48 | Q | 91.2 | Very high | 87.1 | Confident | 115 Ų | 115 | 115.3 Ų | 115.3 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -38.1 | 174 | -75.3 | 178.2 | 3.2 | 0 | 0 | 112.3 | I44 R45 E46 R51 K52 | I44-Q48 HydrophobicContact CG2-CG 4.48Å; I44-Q48 WeakPolarHBondContact O-CB 3.11Å; I44-Q48 VanDerWaalsContact O-CG 3.31Å; I44-Q48 WeakPolarHBondContact O-CG 3.31Å; I44-Q48 PolarHBondContact O-N 2.85Å; R45-Q48 PolarHBondContact O-N 3.36Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 2.96Å; Q48-R51 PolarHBondContact O-N 3.09Å; Q48-K52 PolarHBondContact O-N 3.26Å |
| 49 | K | 89.9 | Confident | 86.6 | Confident | 147 Ų | 147 | 118.9 Ų | 118.9 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.2 | -44.2 | 174.2 | -71.4 | 171.9 | -176.5 | 175.6 | 0 | 111 | R45 E46 R51 K52 | R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.12Å; E46-K49 WeakPolarHBondContact O-CB 3.29Å; E46-K49 PolarHBondContact O-N 2.9Å; E46-K49 VanDerWaalsContact O-N 3.08Å; K49-R51 PolarHBondContact O-N 2.91Å; K49-K52 PolarHBondContact O-N 3.38Å; K49-K52 VanDerWaalsContact O-N 3.15Å |
| 50 | L | 87.9 | Confident | 86.2 | Confident | 146 Ų | 146 | 117.6 Ų | 117.6 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.1 | -26.5 | 177 | -65.8 | 174 | 0 | 0 | 0 | 113.3 | E46 L47 | E46-L50 PolarHBondContact O-N 3.23Å; L47-L50 PolarHBondContact O-N 3Å |
| 51 | R | 89.5 | Confident | 85.6 | Confident | 216 Ų | 216 | 114.3 Ų | 114.3 | 82% | 0.815 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.7 | -17.6 | 176.2 | -70.6 | 173.1 | 97.8 | 154.1 | 7 | 113.8 | L47 Q48 K49 R53 | L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 3.05Å; L47-R51 VanDerWaalsContact O-N 3.16Å; Q48-R51 PolarHBondContact O-N 3.09Å; K49-R51 PolarHBondContact O-N 2.91Å; R51-R53 PolarHBondContact O-N 2.71Å |
| 52 | K | 86.4 | Confident | 85 | Confident | 164 Ų | 164 | 117.2 Ų | 117.2 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -70.9 | 116.6 | 176.4 | -70.1 | -177.5 | -179.8 | -176.6 | 0 | 108.4 | Q48 K49 | Q48-K52 PolarHBondContact O-N 3.26Å; K49-K52 PolarHBondContact O-N 3.38Å; K49-K52 VanDerWaalsContact O-N 3.15Å |
| 53 | R | 83.1 | Confident | 84.5 | Confident | 230 Ų | 230 | 115.8 Ų | 115.8 | 87% | 0.868 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.9 | 171.9 | -67.9 | -175.8 | 170 | 90.9 | 1.2 | 108.7 | R51 A55 | R51-R53 PolarHBondContact O-N 2.71Å; R53-A55 PolarHBondContact O-N 2.99Å |
| 54 | P | 80.4 | Confident | 84 | Confident | 127 Ų | 127 | 117.6 Ų | 117.6 | 83% | 0.825 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 133.9 | 172 | 25.1 | -32.7 | 0 | 0 | 0 | 108.8 | G56 | P54-G56 PolarHBondContact O-N 3.11Š|
| 55 | A | 79.6 | Confident | 83.4 | Confident | 100 Ų | 100 | 117.1 Ų | 117.1 | 83% | 0.826 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | R53 | R53-A55 PolarHBondContact O-N 2.99Š|
| 56 | G | 79.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 117.5 Ų | 117.5 | 74% | 0.742 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 158.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | P54 | P54-G56 PolarHBondContact O-N 3.11Š|
| 57 | V | 78 | Confident | 81.7 | Confident | 107 Ų | 107 | 120.6 Ų | 120.6 | 65% | 0.648 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136 | 171.4 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | A61 | V57-A61 HydrophobicContact CG1-CB 3.7Š|
| 58 | S | 76.1 | Confident | 80.4 | Confident | 47 Ų | 47 | 117.2 Ų | 117.2 | 33% | 0.329 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 146.2 | 176.1 | 67 | 0 | 0 | 0 | 0 | 110.4 | S60 A61 L62 | S58-S60 PolarHBondContact O-N 2.83Å; S58-S60 VanDerWaalsContact O-N 3.13Å; S58-A61 PolarHBondContact O-N 3.37Å; S58-A61 VanDerWaalsContact OG-CB 3.27Å; S58-A61 WeakPolarHBondContact OG-CB 3.36Å; S58-A61 PolarHBondContact OG-N 3.4Å; S58-L62 PolarHBondContact O-N 3.02Å |
| 59 | L | 77.6 | Confident | 79.1 | Confident | 148 Ų | 148 | 115.2 Ų | 115.2 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -55 | -34.1 | 178 | -67.6 | 175.2 | 0 | 0 | 0 | 111.7 | L62 A63 | L59-L62 PolarHBondContact O-N 3.13Å; L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 2.79Å |
| 60 | S | 78 | Confident | 77.7 | Confident | 65 Ų | 65 | 114.2 Ų | 114.2 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.7 | -44.5 | 176.5 | -39.4 | 0 | 0 | 0 | 0 | 112.4 | S58 L62 A63 T64 | S58-S60 PolarHBondContact O-N 2.83Å; S58-S60 VanDerWaalsContact O-N 3.13Å; S60-L62 VanDerWaalsContact C-N 3.34Å; S60-A63 PolarHBondContact O-N 2.76Å; S60-T64 WeakPolarHBondContact O-CB 3.45Å; S60-T64 WeakPolarHBondContact O-CG2 3.08Å; S60-T64 PolarHBondContact O-N 3.38Å; S60-T64 PolarHBondContact O-OG1 2.8Å |
| 61 | A | 79.5 | Confident | 76.5 | Confident | 16 Ų | 16 | 112.3 Ų | 112.3 | 13% | 0.132 | 63% | 0.633 | C | S | . | * | H | α-helix | trans | -69.4 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V57 S58 G65 | V57-A61 HydrophobicContact CG1-CB 3.7Å; S58-A61 PolarHBondContact O-N 3.37Å; S58-A61 VanDerWaalsContact OG-CB 3.27Å; S58-A61 WeakPolarHBondContact OG-CB 3.36Å; S58-A61 PolarHBondContact OG-N 3.4Å; A61-G65 WeakPolarHBondContact O-CA 3.25Å; A61-G65 PolarHBondContact O-N 2.73Å |
| 62 | L | 79.6 | Confident | 74.9 | Confident | 131 Ų | 131 | 106.3 Ų | 106.3 | 69% | 0.686 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 172.8 | -163.3 | 92.3 | 0 | 0 | 0 | 111.7 | S58 L59 S60 | S58-L62 PolarHBondContact O-N 3.02Å; L59-L62 PolarHBondContact O-N 3.13Å; S60-L62 VanDerWaalsContact C-N 3.34Å |
| 63 | A | 80.8 | Confident | 73.5 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 72% | 0.719 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.1 | -36.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L59 S60 | L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 2.79Å; S60-A63 PolarHBondContact O-N 2.76Å |
| 64 | T | 81.2 | Confident | 72.3 | Confident | 85 Ų | 85 | 96 Ų | 96 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -99.7 | -14.5 | -173.2 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | S60 K66 | S60-T64 WeakPolarHBondContact O-CB 3.45Å; S60-T64 WeakPolarHBondContact O-CG2 3.08Å; S60-T64 PolarHBondContact O-N 3.38Å; S60-T64 PolarHBondContact O-OG1 2.8Å; T64-K66 PolarHBondContact O-N 3.27Å; T64-K66 VanDerWaalsContact O-N 3.12Å |
| 65 | G | 79.5 | Confident | 71.3 | Confident | 72 Ų | 72 | 94.8 Ų | 94.8 | 74% | 0.742 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 65.8 | 6.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | A61 | A61-G65 WeakPolarHBondContact O-CA 3.25Å; A61-G65 PolarHBondContact O-N 2.73Å |
| 66 | K | 77.1 | Confident | 70.5 | Confident | 159 Ų | 159 | 93.8 Ų | 93.8 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -113.2 | 136.5 | 179.5 | -66.2 | 179.3 | -178.7 | 176.1 | 0 | 109.2 | T64 V68 | T64-K66 PolarHBondContact O-N 3.27Å; T64-K66 VanDerWaalsContact O-N 3.12Å; K66-V68 PolarHBondContact O-N 3.42Å |
| 67 | E | 71.1 | Confident | 69.9 | Low | 189 Ų | 189 | 95.8 Ų | 95.8 | 88% | 0.883 | 56% | 0.561 | S | S | * | * | trans | -62.1 | 108.8 | 171.9 | -65.1 | -170.6 | 170 | 0 | 0 | 108.4 | P69 | E67-P69 VanDerWaalsContact O-CD 3.3Å; E67-P69 WeakPolarHBondContact O-CD 3.3Å | ||
| 68 | V | 63.6 | Low | 69.7 | Low | 38 Ų | 38 | 91.4 Ų | 91.4 | 23% | 0.23 | 53% | 0.534 | C | S | . | . | trans | -75.2 | 115.7 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | K66 D70 N72 | K66-V68 PolarHBondContact O-N 3.42Å; V68-D70 PolarHBondContact O-N 3.11Å; V68-N72 HydrophobicContact CG1-CB 3.81Å | ||
| 69 | P | 62.3 | Low | 69.6 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 47% | 0.474 | 54% | 0.539 | S | S | . | . | trans | -59.4 | 134.5 | 175.5 | 24.8 | -32.5 | 0 | 0 | 0 | 108.8 | E67 I71 N72 | E67-P69 VanDerWaalsContact O-CD 3.3Å; E67-P69 WeakPolarHBondContact O-CD 3.3Å; P69-I71 HydrophobicContact CB-CD1 4.18Å; P69-I71 HydrophobicContact CB-CG1 4.4Å; P69-I71 PolarHBondContact O-N 2.8Å; P69-N72 PolarHBondContact O-N 3.17Å | ||
| 70 | D | 61.7 | Low | 69.5 | Low | 127 Ų | 127 | 91 Ų | 91 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -15.1 | -178.6 | -78 | -28.9 | 0 | 0 | 0 | 114 | V68 N72 L73 T74 | V68-D70 PolarHBondContact O-N 3.11Å; D70-N72 PolarHBondContact O-N 3.46Å; D70-L73 WeakPolarHBondContact O-CB 3.33Å; D70-L73 PolarHBondContact O-N 3.29Å; D70-T74 PolarHBondContact O-N 3.43Å |
| 71 | I | 61.6 | Low | 69.2 | Low | 106 Ų | 106 | 93 Ų | 93 | 54% | 0.544 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -50.9 | -41 | 171.3 | -58.7 | 165.7 | 0 | 0 | 0 | 111 | P69 L73 T74 I75 | P69-I71 HydrophobicContact CB-CD1 4.18Å; P69-I71 HydrophobicContact CB-CG1 4.4Å; P69-I71 PolarHBondContact O-N 2.8Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.28Å; I71-T74 PolarHBondContact O-N 3.44Å; I71-T74 VanDerWaalsContact O-N 3.11Å; I71-T74 PolarHBondContact O-OG1 3.44Å; I71-I75 HydrophobicContact CG2-CD1 4.09Å; I71-I75 PolarHBondContact O-N 2.91Å; I71-I75 VanDerWaalsContact O-N 3.13Å |
| 72 | N | 57.4 | Low | 69.1 | Low | 89 Ų | 89 | 99.5 Ų | 99.5 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.1 | -30.3 | 179.7 | -71 | -12.8 | 0 | 0 | 0 | 112.7 | V68 P69 D70 T74 A76 | V68-N72 HydrophobicContact CG1-CB 3.81Å; P69-N72 PolarHBondContact O-N 3.17Å; D70-N72 PolarHBondContact O-N 3.46Å; N72-T74 VanDerWaalsContact C-N 3.35Å; N72-A76 VanDerWaalsContact O-CB 3.31Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 3Å; N72-A76 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 56.9 | Low | 69 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 45% | 0.445 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.1 | -32.2 | 172 | -93.8 | 85.9 | 0 | 0 | 0 | 111.8 | D70 I71 N77 | D70-L73 WeakPolarHBondContact O-CB 3.33Å; D70-L73 PolarHBondContact O-N 3.29Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.28Å; L73-N77 PolarHBondContact O-N 2.98Å; L73-N77 PolarHBondContact O-ND2 3.11Å |
| 74 | T | 56.4 | Low | 68.7 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.9 | -37.1 | 177.3 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | D70 I71 N72 | D70-T74 PolarHBondContact O-N 3.43Å; I71-T74 PolarHBondContact O-N 3.44Å; I71-T74 VanDerWaalsContact O-N 3.11Å; I71-T74 PolarHBondContact O-OG1 3.44Å; N72-T74 VanDerWaalsContact C-N 3.35Å |
| 75 | I | 60.7 | Low | 68.5 | Low | 102 Ų | 102 | 100.5 Ų | 100.5 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.5 | -39.4 | 175.9 | -60.6 | 167.5 | 0 | 0 | 0 | 110.8 | I71 N77 | I71-I75 HydrophobicContact CG2-CD1 4.09Å; I71-I75 PolarHBondContact O-N 2.91Å; I71-I75 VanDerWaalsContact O-N 3.13Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.31Å |
| 76 | A | 62.3 | Low | 68.6 | Low | 78 Ų | 78 | 99.5 Ų | 99.5 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67 | -31.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N72 | N72-A76 VanDerWaalsContact O-CB 3.31Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 3Å; N72-A76 VanDerWaalsContact O-N 3.08Å |
| 77 | N | 66.6 | Low | 68.6 | Low | 114 Ų | 114 | 98.8 Ų | 98.8 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -80.3 | -19 | -176.4 | -81 | -56.1 | 0 | 0 | 0 | 114.2 | L73 I75 | L73-N77 PolarHBondContact O-N 2.98Å; L73-N77 PolarHBondContact O-ND2 3.11Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.31Å |
| 78 | D | 73.1 | Confident | 68.7 | Low | 16 Ų | 16 | 91.9 Ų | 91.9 | 9% | 0.086 | 52% | 0.515 | C | S | . | . | trans | -158.4 | 68.7 | -175 | -166.6 | 16.5 | 0 | 0 | 0 | 112.7 | F80 R81 L82 K83 T84 | D78-F80 PolarHBondContact O-N 3.11Å; D78-F80 VanDerWaalsContact O-N 3.09Å; D78-R81 VanDerWaalsContact CG-C 3.49Å; D78-R81 PolarHBondContact O-N 3.05Å; D78-R81 WeakPolarHBondContact OD1-CA 3.26Å; D78-R81 PolarHBondContact OD1-N 2.77Å; D78-R81 WeakPolarHBondContact OD2-CA 2.93Å; D78-L82 PolarHBondContact OD1-N 3.09Å; D78-L82 PolarHBondContact OD2-N 3.17Å; D78-K83 WeakPolarHBondContact OD2-CA 3.4Å; D78-K83 WeakPolarHBondContact OD2-CB 3.27Å; D78-K83 PolarHBondContact OD2-N 3.28Å; D78-T84 PolarHBondContact OD2-N 3.14Å; D78-T84 PolarHBondContact OD2-OG1 3Å | ||
| 79 | P | 74.2 | Confident | 69.4 | Low | 67 Ų | 67 | 95.1 Ų | 95.1 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.2 | -176 | 23.3 | -33.8 | 0 | 0 | 0 | 113.2 | I93 | P79-I93 VanDerWaalsContact O-CD1 3.25Å; P79-I93 WeakPolarHBondContact O-CD1 3.16Å |
| 80 | F | 75.5 | Confident | 70 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 11.8 | 179 | -63.1 | -70.8 | 0 | 0 | 0 | 113.3 | D78 L82 V88 I93 | D78-F80 PolarHBondContact O-N 3.11Å; D78-F80 VanDerWaalsContact O-N 3.09Å; F80-L82 HydrophobicContact CB-CD1 4.23Å; F80-L82 HydrophobicContact CB-CD2 4.41Å; F80-L82 HydrophobicContact CB-CG 3.86Å; F80-L82 PolarHBondContact O-N 3.13Å; F80-V88 WeakPolarHBondContact O-CG2 3.47Å; F80-I93 HydrophobicContact CD1-CD1 4.28Å; F80-I93 HydrophobicContact CE1-CD1 4.4Å |
| 81 | R | 72.4 | Confident | 70.7 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | trans | 50.3 | 28.9 | -177.4 | -56.9 | -177.1 | 74.3 | 164.8 | 9 | 114.1 | D78 K83 G85 L87 V88 | D78-R81 VanDerWaalsContact CG-C 3.49Å; D78-R81 PolarHBondContact O-N 3.05Å; D78-R81 WeakPolarHBondContact OD1-CA 3.26Å; D78-R81 PolarHBondContact OD1-N 2.77Å; D78-R81 WeakPolarHBondContact OD2-CA 2.93Å; R81-K83 VanDerWaalsContact C-N 3.29Å; R81-K83 PolarHBondContact O-N 2.98Å; R81-G85 PolarHBondContact NE-O 3.44Å; R81-G85 PolarHBondContact NH2-O 3.49Å; R81-G85 WeakPolarHBondContact O-CA 3.35Å; R81-G85 PolarHBondContact O-N 3.14Å; R81-L87 VanDerWaalsContact CD-O 3.3Å; R81-L87 WeakPolarHBondContact CD-O 3.39Å; R81-L87 PolarHBondContact NH1-O 2.8Å; R81-V88 HydrophobicContact CB-CG2 4.06Å; R81-V88 HydrophobicContact CG-CG2 4.18Å | ||
| 82 | L | 77.6 | Confident | 71.1 | Confident | 151 Ų | 151 | 96.2 Ų | 96.2 | 79% | 0.791 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.3 | -179 | -65.2 | 175.6 | 0 | 0 | 0 | 113.2 | D78 F80 | D78-L82 PolarHBondContact OD1-N 3.09Å; D78-L82 PolarHBondContact OD2-N 3.17Å; F80-L82 HydrophobicContact CB-CD1 4.23Å; F80-L82 HydrophobicContact CB-CD2 4.41Å; F80-L82 HydrophobicContact CB-CG 3.86Å; F80-L82 PolarHBondContact O-N 3.13Å |
| 83 | K | 76.2 | Confident | 71.6 | Confident | 179 Ų | 179 | 94 Ų | 94 | 78% | 0.778 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -38.3 | 176.8 | -62.4 | -178.4 | -178.4 | 168.3 | 0 | 112.3 | D78 R81 | D78-K83 WeakPolarHBondContact OD2-CA 3.4Å; D78-K83 WeakPolarHBondContact OD2-CB 3.27Å; D78-K83 PolarHBondContact OD2-N 3.28Å; R81-K83 VanDerWaalsContact C-N 3.29Å; R81-K83 PolarHBondContact O-N 2.98Å |
| 84 | T | 75.2 | Confident | 72 | Confident | 107 Ų | 107 | 93.4 Ų | 93.4 | 66% | 0.656 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -22 | -171.1 | -25.5 | 0 | 0 | 0 | 0 | 112.4 | D78 | D78-T84 PolarHBondContact OD2-N 3.14Å; D78-T84 PolarHBondContact OD2-OG1 3Å |
| 85 | G | 77.9 | Confident | 72.2 | Confident | 38 Ų | 38 | 92.5 Ų | 92.5 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | trans | 68.1 | 156.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R81 | R81-G85 PolarHBondContact NE-O 3.44Å; R81-G85 PolarHBondContact NH2-O 3.49Å; R81-G85 WeakPolarHBondContact O-CA 3.35Å; R81-G85 PolarHBondContact O-N 3.14Å | ||
| 86 | G | 81.2 | Confident | 72.1 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 54% | 0.536 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 119.2 | 170.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V88 | G86-V88 PolarHBondContact O-N 3.26Š|
| 87 | L | 77.2 | Confident | 71.9 | Confident | 143 Ų | 143 | 96.1 Ų | 96.1 | 75% | 0.749 | 54% | 0.539 | S | S | * | . | trans | -64.4 | 132.7 | -177.8 | -168.1 | 64.3 | 0 | 0 | 0 | 110.4 | R81 | R81-L87 VanDerWaalsContact CD-O 3.3Å; R81-L87 WeakPolarHBondContact CD-O 3.39Å; R81-L87 PolarHBondContact NH1-O 2.8Å | ||
| 88 | V | 73.7 | Confident | 71.4 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | trans | -99.5 | 113.8 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 108 | F80 R81 G86 L90 I93 | F80-V88 WeakPolarHBondContact O-CG2 3.47Å; R81-V88 HydrophobicContact CB-CG2 4.06Å; R81-V88 HydrophobicContact CG-CG2 4.18Å; G86-V88 PolarHBondContact O-N 3.26Å; V88-L90 PolarHBondContact O-N 3.38Å; V88-L90 VanDerWaalsContact O-N 3.1Å; V88-I93 HydrophobicContact CG1-CD1 3.3Å | ||
| 89 | D | 76.8 | Confident | 70.4 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | trans | -79.2 | 92.2 | 173.2 | -72.4 | -16.3 | 0 | 0 | 0 | 109.1 | N91 S92 I93 | D89-N91 PolarHBondContact O-N 3.48Å; D89-N91 VanDerWaalsContact O-N 3.1Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.31Å; D89-S92 PolarHBondContact O-OG 2.81Å; D89-I93 PolarHBondContact O-N 2.89Å | ||
| 90 | L | 75.9 | Confident | 69.6 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -49.9 | -36.5 | 179.1 | -75.1 | 162.7 | 0 | 0 | 0 | 112.6 | V88 S92 I93 S94 | V88-L90 PolarHBondContact O-N 3.38Å; V88-L90 VanDerWaalsContact O-N 3.1Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 2.93Å; L90-I93 PolarHBondContact O-N 3.35Å; L90-S94 PolarHBondContact O-N 2.79Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L90-S94 PolarHBondContact O-OG 3.17Å |
| 91 | N | 76.2 | Confident | 68.8 | Low | 136 Ų | 136 | 106.3 Ų | 106.3 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.5 | -33.3 | 179.6 | -64.9 | -3.3 | 0 | 0 | 0 | 112.8 | D89 S94 S95 | D89-N91 PolarHBondContact O-N 3.48Å; D89-N91 VanDerWaalsContact O-N 3.1Å; N91-S94 PolarHBondContact O-OG 3.49Å; N91-S94 VanDerWaalsContact O-OG 3.1Å; N91-S95 PolarHBondContact O-N 2.86Å; N91-S95 PolarHBondContact O-OG 3.38Å; N91-S95 VanDerWaalsContact O-OG 3.1Å |
| 92 | S | 69.8 | Low | 68.1 | Low | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.5 | -29.4 | 177.8 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | D89 L90 S95 A96 | D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.31Å; D89-S92 PolarHBondContact O-OG 2.81Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 2.93Å; S92-S95 PolarHBondContact O-OG 2.9Å; S92-A96 WeakPolarHBondContact O-CB 3.36Å; S92-A96 PolarHBondContact O-N 3.49Å |
| 93 | I | 67.4 | Low | 67.4 | Low | 42 Ų | 42 | 104.9 Ų | 104.9 | 22% | 0.215 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -77.7 | -34.5 | 178.4 | -61.4 | 171.8 | 0 | 0 | 0 | 110.5 | P79 F80 V88 D89 L90 | P79-I93 VanDerWaalsContact O-CD1 3.25Å; P79-I93 WeakPolarHBondContact O-CD1 3.16Å; F80-I93 HydrophobicContact CD1-CD1 4.28Å; F80-I93 HydrophobicContact CE1-CD1 4.4Å; V88-I93 HydrophobicContact CG1-CD1 3.3Å; D89-I93 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 3.35Å |
| 94 | S | 66.5 | Low | 67 | Low | 73 Ų | 73 | 100.8 Ų | 100.8 | 51% | 0.51 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76 | -37.8 | 178.2 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | L90 N91 | L90-S94 PolarHBondContact O-N 2.79Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L90-S94 PolarHBondContact O-OG 3.17Å; N91-S94 PolarHBondContact O-OG 3.49Å; N91-S94 VanDerWaalsContact O-OG 3.1Å |
| 95 | S | 60.6 | Low | 66.8 | Low | 75 Ų | 75 | 99.5 Ų | 99.5 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.2 | -27.9 | 179.6 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | N91 S92 K97 Q98 | N91-S95 PolarHBondContact O-N 2.86Å; N91-S95 PolarHBondContact O-OG 3.38Å; N91-S95 VanDerWaalsContact O-OG 3.1Å; S92-S95 PolarHBondContact O-OG 2.9Å; S95-K97 PolarHBondContact O-N 3.39Å; S95-K97 VanDerWaalsContact O-N 3.09Å; S95-Q98 PolarHBondContact O-N 2.87Å |
| 96 | A | 59 | Low | 66.6 | Low | 80 Ų | 80 | 104 Ų | 104 | 66% | 0.661 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -6.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S92 | S92-A96 WeakPolarHBondContact O-CB 3.36Å; S92-A96 PolarHBondContact O-N 3.49Å |
| 97 | K | 58.1 | Low | 66.1 | Low | 175 Ų | 175 | 104.2 Ų | 104.2 | 76% | 0.761 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -1.4 | 177.7 | -68.7 | -174 | 177.5 | -178.2 | 0 | 114.1 | S95 | S95-K97 PolarHBondContact O-N 3.39Å; S95-K97 VanDerWaalsContact O-N 3.09Å |
| 98 | Q | 55.2 | Low | 65.8 | Low | 170 Ų | 170 | 105.8 Ų | 105.8 | 79% | 0.794 | 57% | 0.568 | S | S | * | * | trans | -138 | 63.7 | 179.8 | -64.8 | -165.6 | -50.8 | 0 | 0 | 108.5 | S95 | S95-Q98 PolarHBondContact O-N 2.87Š| ||
| 99 | S | 51.8 | Low | 65.6 | Low | 54 Ų | 54 | 107.1 Ų | 107.1 | 38% | 0.378 | 57% | 0.573 | S | S | . | * | trans | -80.4 | 115.1 | 163 | 57.7 | 0 | 0 | 0 | 0 | 107.4 | E101 D102 | S99-E101 PolarHBondContact O-N 2.84Å; S99-D102 PolarHBondContact O-N 3.47Å | ||
| 100 | E | 57.7 | Low | 65.3 | Low | 164 Ų | 164 | 104.6 Ų | 104.6 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -10.6 | 166.6 | -68.7 | -177.6 | 151.8 | 0 | 0 | 113.4 | D102 D103 D104 | E100-D102 VanDerWaalsContact C-N 3.3Å; E100-D102 PolarHBondContact O-N 3.12Å; E100-D103 PolarHBondContact O-N 2.82Å; E100-D104 PolarHBondContact O-N 3.42Å |
| 101 | E | 58.5 | Low | 65 | Low | 142 Ų | 142 | 105.6 Ų | 105.6 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -28.4 | 172.7 | -147.8 | 165 | -162.6 | 0 | 0 | 112.9 | S99 V105 | S99-E101 PolarHBondContact O-N 2.84Å; E101-V105 WeakPolarHBondContact O-CB 3.38Å; E101-V105 WeakPolarHBondContact O-CG2 3.49Å; E101-V105 PolarHBondContact O-N 3.26Å |
| 102 | D | 58.2 | Low | 64.6 | Low | 108 Ų | 108 | 102.3 Ų | 102.3 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.2 | -35.4 | 177.3 | -73.9 | -24.1 | 0 | 0 | 0 | 111.8 | S99 E100 V105 E106 | S99-D102 PolarHBondContact O-N 3.47Å; E100-D102 VanDerWaalsContact C-N 3.3Å; E100-D102 PolarHBondContact O-N 3.12Å; D102-V105 PolarHBondContact O-N 2.96Å; D102-E106 WeakPolarHBondContact O-CB 3.32Å; D102-E106 PolarHBondContact O-N 2.78Å |
| 103 | D | 61.6 | Low | 63.9 | Low | 122 Ų | 122 | 104.8 Ų | 104.8 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.8 | -36.3 | 176.5 | -72 | -32.1 | 0 | 0 | 0 | 111.4 | E100 A107 | E100-D103 PolarHBondContact O-N 2.82Å; D103-A107 WeakPolarHBondContact O-CB 3.21Å; D103-A107 PolarHBondContact O-N 2.88Å |
| 104 | D | 69.3 | Low | 63.8 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.2 | -35 | 172.1 | -85.6 | -19.1 | 0 | 0 | 0 | 112.1 | E100 R108 | E100-D104 PolarHBondContact O-N 3.42Å; D104-R108 WeakPolarHBondContact O-CB 3.49Å; D104-R108 WeakPolarHBondContact O-CD 3.39Å; D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 3.35Å |
| 105 | V | 70.8 | Confident | 63.6 | Low | 79 Ų | 79 | 109 Ų | 109 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.5 | -44.6 | 175 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | E101 D102 R108 L109 | E101-V105 WeakPolarHBondContact O-CB 3.38Å; E101-V105 WeakPolarHBondContact O-CG2 3.49Å; E101-V105 PolarHBondContact O-N 3.26Å; D102-V105 PolarHBondContact O-N 2.96Å; V105-R108 PolarHBondContact O-N 2.72Å; V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 PolarHBondContact O-N 3.02Å |
| 106 | E | 72.4 | Confident | 63.6 | Low | 132 Ų | 132 | 110 Ų | 110 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.6 | -42.5 | 175.5 | -167.8 | 79.7 | -139.9 | 0 | 0 | 111 | D102 L109 A110 | D102-E106 WeakPolarHBondContact O-CB 3.32Å; D102-E106 PolarHBondContact O-N 2.78Å; E106-L109 PolarHBondContact O-N 2.88Å; E106-A110 VanDerWaalsContact O-CB 3.26Å; E106-A110 WeakPolarHBondContact O-CB 3.38Å; E106-A110 PolarHBondContact O-N 3.12Å |
| 107 | A | 71.2 | Confident | 63.3 | Low | 58 Ų | 58 | 111.5 Ų | 111.5 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D103 K111 | D103-A107 WeakPolarHBondContact O-CB 3.21Å; D103-A107 PolarHBondContact O-N 2.88Å; A107-K111 VanDerWaalsContact O-CB 3.23Å; A107-K111 WeakPolarHBondContact O-CB 3.12Å; A107-K111 PolarHBondContact O-N 2.73Å |
| 108 | R | 70.8 | Confident | 63.3 | Low | 175 Ų | 175 | 109.2 Ų | 109.2 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.7 | -40.9 | 172.7 | -78.5 | 171 | 172.2 | 170.8 | 1.9 | 111.2 | D104 V105 K111 T112 | D104-R108 WeakPolarHBondContact O-CB 3.49Å; D104-R108 WeakPolarHBondContact O-CD 3.39Å; D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 3.35Å; V105-R108 PolarHBondContact O-N 2.72Å; R108-K111 PolarHBondContact O-N 3.41Å; R108-T112 WeakPolarHBondContact O-CG2 3.18Å; R108-T112 PolarHBondContact O-N 3.27Å; R108-T112 PolarHBondContact O-OG1 3.08Å; R108-T112 VanDerWaalsContact O-OG1 3.11Å |
| 109 | L | 70 | Confident | 63.6 | Low | 73 Ų | 73 | 110.4 Ų | 110.4 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -46.8 | 178.9 | -176.3 | 64.1 | 0 | 0 | 0 | 110.8 | V105 E106 K111 T112 F113 | V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 PolarHBondContact O-N 3.02Å; E106-L109 PolarHBondContact O-N 2.88Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.19Å; L109-T112 VanDerWaalsContact CA-OG1 3.27Å; L109-T112 WeakPolarHBondContact CA-OG1 3.3Å; L109-T112 PolarHBondContact O-N 3.03Å; L109-T112 PolarHBondContact O-OG1 3.33Å; L109-F113 HydrophobicContact CD1-CD2 4.12Å; L109-F113 HydrophobicContact CD1-CE2 3.35Å; L109-F113 HydrophobicContact CD1-CZ 3.64Å; L109-F113 HydrophobicContact CD2-CE2 4.02Å; L109-F113 HydrophobicContact CG-CD2 3.93Å; L109-F113 HydrophobicContact CG-CE2 3.34Å; L109-F113 HydrophobicContact CG-CZ 4.14Å; L109-F113 WeakPolarHBondContact O-CD2 3.44Å; L109-F113 WeakPolarHBondContact O-CG 3.48Å; L109-F113 PolarHBondContact O-N 3Å |
| 110 | A | 69.3 | Low | 64.2 | Low | 53 Ų | 53 | 113.6 Ų | 113.6 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.5 | -40.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | E106 F113 T114 | E106-A110 VanDerWaalsContact O-CB 3.26Å; E106-A110 WeakPolarHBondContact O-CB 3.38Å; E106-A110 PolarHBondContact O-N 3.12Å; A110-F113 PolarHBondContact O-N 2.9Å; A110-T114 PolarHBondContact O-N 2.58Å; A110-T114 PolarHBondContact O-OG1 2.67Å |
| 111 | K | 70.9 | Confident | 64.8 | Low | 147 Ų | 147 | 110.2 Ų | 110.2 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.3 | -40.9 | 176.5 | -166.8 | 171.1 | -177.1 | 178.4 | 0 | 111.9 | A107 R108 L109 F113 T114 T115 | A107-K111 VanDerWaalsContact O-CB 3.23Å; A107-K111 WeakPolarHBondContact O-CB 3.12Å; A107-K111 PolarHBondContact O-N 2.73Å; R108-K111 PolarHBondContact O-N 3.41Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.19Å; K111-F113 VanDerWaalsContact C-N 3.32Å; K111-F113 PolarHBondContact O-N 2.98Å; K111-T114 PolarHBondContact O-N 2.76Å; K111-T114 PolarHBondContact O-OG1 2.86Å; K111-T115 PolarHBondContact O-N 3.07Å; K111-T115 VanDerWaalsContact O-N 3.11Å; K111-T115 PolarHBondContact O-OG1 3.05Å; K111-T115 VanDerWaalsContact O-OG1 3.11Å |
| 112 | T | 66.6 | Low | 65.7 | Low | 68 Ų | 68 | 109 Ų | 109 | 42% | 0.417 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -40.4 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | R108 L109 T114 T115 E116 | R108-T112 WeakPolarHBondContact O-CG2 3.18Å; R108-T112 PolarHBondContact O-N 3.27Å; R108-T112 PolarHBondContact O-OG1 3.08Å; R108-T112 VanDerWaalsContact O-OG1 3.11Å; L109-T112 VanDerWaalsContact CA-OG1 3.27Å; L109-T112 WeakPolarHBondContact CA-OG1 3.3Å; L109-T112 PolarHBondContact O-N 3.03Å; L109-T112 PolarHBondContact O-OG1 3.33Å; T112-T114 PolarHBondContact O-N 2.75Å; T112-T115 WeakPolarHBondContact CA-OG1 3.31Å; T112-T115 PolarHBondContact O-N 3.1Å; T112-T115 PolarHBondContact O-OG1 2.69Å; T112-E116 WeakPolarHBondContact O-CB 3.48Å; T112-E116 PolarHBondContact O-N 2.92Å |
| 113 | F | 56.8 | Low | 66.9 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -33.4 | 177.9 | -70.9 | -54.8 | 0 | 0 | 0 | 113.6 | L109 A110 K111 | L109-F113 HydrophobicContact CD1-CD2 4.12Å; L109-F113 HydrophobicContact CD1-CE2 3.35Å; L109-F113 HydrophobicContact CD1-CZ 3.64Å; L109-F113 HydrophobicContact CD2-CE2 4.02Å; L109-F113 HydrophobicContact CG-CD2 3.93Å; L109-F113 HydrophobicContact CG-CE2 3.34Å; L109-F113 HydrophobicContact CG-CZ 4.14Å; L109-F113 WeakPolarHBondContact O-CD2 3.44Å; L109-F113 WeakPolarHBondContact O-CG 3.48Å; L109-F113 PolarHBondContact O-N 3Å; A110-F113 PolarHBondContact O-N 2.9Å; K111-F113 VanDerWaalsContact C-N 3.32Å; K111-F113 PolarHBondContact O-N 2.98Å |
| 114 | T | 63.7 | Low | 68 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.4 | -30.1 | 175 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | A110 K111 T112 T117 | A110-T114 PolarHBondContact O-N 2.58Å; A110-T114 PolarHBondContact O-OG1 2.67Å; K111-T114 PolarHBondContact O-N 2.76Å; K111-T114 PolarHBondContact O-OG1 2.86Å; T112-T114 PolarHBondContact O-N 2.75Å; T114-T117 PolarHBondContact O-OG1 3.23Å; T114-T117 VanDerWaalsContact O-OG1 3.13Å |
| 115 | T | 64.1 | Low | 68.7 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 64% | 0.638 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -81.3 | -23.4 | 177.5 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | K111 T112 T117 | K111-T115 PolarHBondContact O-N 3.07Å; K111-T115 VanDerWaalsContact O-N 3.11Å; K111-T115 PolarHBondContact O-OG1 3.05Å; K111-T115 VanDerWaalsContact O-OG1 3.11Å; T112-T115 WeakPolarHBondContact CA-OG1 3.31Å; T112-T115 PolarHBondContact O-N 3.1Å; T112-T115 PolarHBondContact O-OG1 2.69Å; T115-T117 PolarHBondContact O-N 2.82Å |
| 116 | E | 60.5 | Low | 69.5 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | trans | -82.2 | 34.7 | 176.1 | -156.4 | 175.2 | 177.6 | 0 | 0 | 112 | T112 N118 | T112-E116 WeakPolarHBondContact O-CB 3.48Å; T112-E116 PolarHBondContact O-N 2.92Å; E116-N118 VanDerWaalsContact C-N 3.28Å; E116-N118 PolarHBondContact O-N 2.76Å | ||
| 117 | T | 52 | Low | 70.3 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 68% | 0.681 | 54% | 0.539 | S | S | * | . | trans | -81 | 87.8 | 163.5 | -41.4 | 0 | 0 | 0 | 0 | 107.6 | T114 T115 K119 | T114-T117 PolarHBondContact O-OG1 3.23Å; T114-T117 VanDerWaalsContact O-OG1 3.13Å; T115-T117 PolarHBondContact O-N 2.82Å; T117-K119 VanDerWaalsContact C-N 3.35Å; T117-K119 PolarHBondContact O-N 3.2Å | ||
| 118 | N | 57.4 | Low | 71.1 | Confident | 128 Ų | 128 | 108.8 Ų | 108.8 | 68% | 0.684 | 55% | 0.546 | S | S | * | . | trans | -23.6 | 78.4 | 168.7 | -162.4 | 6.5 | 0 | 0 | 0 | 115.8 | E116 | E116-N118 VanDerWaalsContact C-N 3.28Å; E116-N118 PolarHBondContact O-N 2.76Å | ||
| 119 | K | 61.3 | Low | 72 | Confident | 195 Ų | 195 | 107.1 Ų | 107.1 | 85% | 0.848 | 54% | 0.541 | S | S | * | . | trans | -102.3 | 78.6 | 151.1 | -72.2 | -171.9 | 179.3 | -175.9 | 0 | 106.6 | T117 D121 | T117-K119 VanDerWaalsContact C-N 3.35Å; T117-K119 PolarHBondContact O-N 3.2Å; K119-D121 PolarHBondContact O-N 3.37Å | ||
| 120 | R | 65 | Low | 72.9 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 46% | 0.457 | 54% | 0.544 | S | S | . | . | trans | -56.9 | 108.5 | 160.7 | -168.5 | -178.3 | 98.2 | 89.8 | 3.4 | 106.5 | E122 E125 | R120-E122 VanDerWaalsContact C-N 3.28Å; R120-E122 IonicContact CZ-OE1 2.58Å; R120-E122 IonicContact NE-OE1 2.76Å; R120-E122 PolarHBondContact NE-OE1 2.99Å; R120-E122 IonicContact NH2-OE1 3.73Å; R120-E122 PolarHBondContact NH2-OE1 3.13Å; R120-E122 PolarHBondContact O-N 2.74Å; R120-E125 WeakPolarHBondContact CG-OE1 3.38Å; R120-E125 IonicContact CZ-OE1 3.57Å; R120-E125 IonicContact CZ-OE2 2.83Å; R120-E125 IonicContact NH1-OE1 2.74Å; R120-E125 PolarHBondContact NH1-OE1 3.41Å; R120-E125 IonicContact NH1-OE2 3.5Å; R120-E125 PolarHBondContact NH1-OE2 3.32Å | ||
| 121 | D | 71.3 | Confident | 73.8 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | trans | -77.5 | 88.9 | 177.1 | -169.1 | -13.8 | 0 | 0 | 0 | 107.5 | K119 D123 A124 E125 | K119-D121 PolarHBondContact O-N 3.37Å; D121-D123 PolarHBondContact O-N 2.92Å; D121-D123 WeakPolarHBondContact OD1-CB 3.42Å; D121-D123 PolarHBondContact OD1-N 3.04Å; D121-D123 VanDerWaalsContact OD1-N 3.14Å; D121-A124 HydrophobicContact CB-CB 3.72Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 PolarHBondContact O-N 3.43Å; D121-A124 VanDerWaalsContact O-N 3.17Å; D121-A124 PolarHBondContact OD1-N 3.2Å; D121-E125 PolarHBondContact O-N 2.92Å; D121-E125 VanDerWaalsContact O-N 3.09Å | ||
| 122 | E | 77.2 | Confident | 74.6 | Confident | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.8 | -31.3 | 177.7 | -49.3 | -159 | 124.2 | 0 | 0 | 110.8 | R120 E125 M126 | R120-E122 VanDerWaalsContact C-N 3.28Å; R120-E122 IonicContact CZ-OE1 2.58Å; R120-E122 IonicContact NE-OE1 2.76Å; R120-E122 PolarHBondContact NE-OE1 2.99Å; R120-E122 IonicContact NH2-OE1 3.73Å; R120-E122 PolarHBondContact NH2-OE1 3.13Å; R120-E122 PolarHBondContact O-N 2.74Å; E122-E125 PolarHBondContact O-N 2.81Å; E122-M126 VanDerWaalsContact O-CB 3.25Å; E122-M126 WeakPolarHBondContact O-CB 3.47Å; E122-M126 PolarHBondContact O-N 3.27Å |
| 123 | D | 82.6 | Confident | 75.6 | Confident | 104 Ų | 104 | 107.4 Ų | 107.4 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.3 | -42.2 | 177.2 | -69.3 | -15.3 | 0 | 0 | 0 | 110.5 | D121 E125 M126 I127 | D121-D123 PolarHBondContact O-N 2.92Å; D121-D123 WeakPolarHBondContact OD1-CB 3.42Å; D121-D123 PolarHBondContact OD1-N 3.04Å; D121-D123 VanDerWaalsContact OD1-N 3.14Å; D123-E125 VanDerWaalsContact C-N 3.33Å; D123-E125 PolarHBondContact O-N 3.01Å; D123-M126 PolarHBondContact O-N 3.43Å; D123-I127 WeakPolarHBondContact O-CB 3.13Å; D123-I127 WeakPolarHBondContact O-CD1 3.46Å; D123-I127 WeakPolarHBondContact O-CG1 3.25Å; D123-I127 PolarHBondContact O-N 2.91Å |
| 124 | A | 85.3 | Confident | 77.1 | Confident | 48 Ų | 48 | 104.5 Ų | 104.5 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D121 I127 K128 | D121-A124 HydrophobicContact CB-CB 3.72Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 PolarHBondContact O-N 3.43Å; D121-A124 VanDerWaalsContact O-N 3.17Å; D121-A124 PolarHBondContact OD1-N 3.2Å; A124-I127 PolarHBondContact O-N 2.81Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 2.88Å |
| 125 | E | 83.1 | Confident | 78.1 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 175.2 | -72.6 | -173.3 | -148.6 | 0 | 0 | 112.5 | R120 D121 E122 D123 K128 Y129 | R120-E125 WeakPolarHBondContact CG-OE1 3.38Å; R120-E125 IonicContact CZ-OE1 3.57Å; R120-E125 IonicContact CZ-OE2 2.83Å; R120-E125 IonicContact NH1-OE1 2.74Å; R120-E125 PolarHBondContact NH1-OE1 3.41Å; R120-E125 IonicContact NH1-OE2 3.5Å; R120-E125 PolarHBondContact NH1-OE2 3.32Å; D121-E125 PolarHBondContact O-N 2.92Å; D121-E125 VanDerWaalsContact O-N 3.09Å; E122-E125 PolarHBondContact O-N 2.81Å; D123-E125 VanDerWaalsContact C-N 3.33Å; D123-E125 PolarHBondContact O-N 3.01Å; E125-K128 PolarHBondContact O-N 3Å; E125-Y129 WeakPolarHBondContact O-CB 3.4Å; E125-Y129 PolarHBondContact O-N 2.83Å |
| 126 | M | 87.6 | Confident | 79 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 51% | 0.507 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.4 | -168.1 | -164.3 | -45.9 | 0 | 0 | 111 | E122 D123 Y129 I130 | E122-M126 VanDerWaalsContact O-CB 3.25Å; E122-M126 WeakPolarHBondContact O-CB 3.47Å; E122-M126 PolarHBondContact O-N 3.27Å; D123-M126 PolarHBondContact O-N 3.43Å; M126-Y129 PolarHBondContact O-N 3.5Å; M126-I130 HydrophobicContact CG-CD1 4.07Å; M126-I130 WeakPolarHBondContact O-CB 3.3Å; M126-I130 WeakPolarHBondContact O-CD1 3.45Å; M126-I130 WeakPolarHBondContact O-CG1 3.27Å; M126-I130 PolarHBondContact O-N 3.44Å; M126-I130 HydrophobicContact SD-CD1 4.47Å |
| 127 | I | 89.6 | Confident | 80 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.9 | -70 | 163.3 | 0 | 0 | 0 | 109.9 | D123 A124 Y129 I130 E131 | D123-I127 WeakPolarHBondContact O-CB 3.13Å; D123-I127 WeakPolarHBondContact O-CD1 3.46Å; D123-I127 WeakPolarHBondContact O-CG1 3.25Å; D123-I127 PolarHBondContact O-N 2.91Å; A124-I127 PolarHBondContact O-N 2.81Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.13Å; I127-I130 PolarHBondContact O-N 2.94Å; I127-I130 VanDerWaalsContact O-N 3.17Å; I127-E131 HydrophobicContact CG2-CG 4.29Å; I127-E131 WeakPolarHBondContact O-CB 2.97Å; I127-E131 WeakPolarHBondContact O-CG 3.31Å; I127-E131 PolarHBondContact O-N 3.24Å |
| 128 | K | 89.1 | Confident | 81.3 | Confident | 143 Ų | 143 | 107.2 Ų | 107.2 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -43.3 | 175.9 | -176.2 | -175.4 | 174.5 | -172.3 | 0 | 111.8 | A124 E125 E131 E132 | A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 2.88Å; E125-K128 PolarHBondContact O-N 3Å; K128-E131 PolarHBondContact O-N 3.32Å; K128-E132 WeakPolarHBondContact O-CB 3.5Å; K128-E132 PolarHBondContact O-N 3.4Å |
| 129 | Y | 88.6 | Confident | 81.9 | Confident | 141 Ų | 141 | 103.7 Ų | 103.7 | 55% | 0.553 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 176 | 177.5 | -99.8 | 0 | 0 | 0 | 111.8 | E125 M126 I127 E132 E133 | E125-Y129 WeakPolarHBondContact O-CB 3.4Å; E125-Y129 PolarHBondContact O-N 2.83Å; M126-Y129 PolarHBondContact O-N 3.5Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.13Å; Y129-E132 PolarHBondContact O-N 3.44Å; Y129-E133 HydrophobicContact CD1-CG 4.24Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.77Å; Y129-E133 HydrophobicContact CE2-CG 3.84Å; Y129-E133 HydrophobicContact CG-CG 4.49Å; Y129-E133 WeakPolarHBondContact O-CB 3.44Å; Y129-E133 WeakPolarHBondContact O-CG 3.18Å; Y129-E133 PolarHBondContact O-N 3.37Å |
| 130 | I | 88.8 | Confident | 82.2 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.4 | -68.8 | 163.2 | 0 | 0 | 0 | 110.2 | M126 I127 E132 E133 V134 | M126-I130 HydrophobicContact CG-CD1 4.07Å; M126-I130 WeakPolarHBondContact O-CB 3.3Å; M126-I130 WeakPolarHBondContact O-CD1 3.45Å; M126-I130 WeakPolarHBondContact O-CG1 3.27Å; M126-I130 PolarHBondContact O-N 3.44Å; M126-I130 HydrophobicContact SD-CD1 4.47Å; I127-I130 PolarHBondContact O-N 2.94Å; I127-I130 VanDerWaalsContact O-N 3.17Å; I130-E132 VanDerWaalsContact C-N 3.35Å; I130-E132 PolarHBondContact O-N 3.44Å; I130-E133 PolarHBondContact O-N 3.36Å; I130-V134 HydrophobicContact CG2-CG2 4.03Å; I130-V134 WeakPolarHBondContact O-CB 3.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 3.25Å |
| 131 | E | 89.4 | Confident | 81.9 | Confident | 129 Ų | 129 | 99.4 Ų | 99.4 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 177.2 | -75.2 | 177 | 178.8 | 0 | 0 | 111.5 | I127 K128 V134 A135 | I127-E131 HydrophobicContact CG2-CG 4.29Å; I127-E131 WeakPolarHBondContact O-CB 2.97Å; I127-E131 WeakPolarHBondContact O-CG 3.31Å; I127-E131 PolarHBondContact O-N 3.24Å; K128-E131 PolarHBondContact O-N 3.32Å; E131-V134 PolarHBondContact O-N 2.7Å; E131-A135 WeakPolarHBondContact O-CB 3.39Å; E131-A135 PolarHBondContact O-N 3.38Å |
| 132 | E | 87.5 | Confident | 81.6 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 177.2 | -166.5 | -169.8 | 141.3 | 0 | 0 | 111.6 | K128 Y129 I130 A135 K136 | K128-E132 WeakPolarHBondContact O-CB 3.5Å; K128-E132 PolarHBondContact O-N 3.4Å; Y129-E132 PolarHBondContact O-N 3.44Å; I130-E132 VanDerWaalsContact C-N 3.35Å; I130-E132 PolarHBondContact O-N 3.44Å; E132-A135 PolarHBondContact O-N 2.96Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.7Å; E132-K136 WeakPolarHBondContact OE1-CE 3.19Å; E132-K136 IonicContact OE1-NZ 3.63Å; E132-K136 PolarHBondContact OE1-NZ 2.92Å |
| 133 | E | 87.2 | Confident | 80.6 | Confident | 48 Ų | 48 | 102.4 Ų | 102.4 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.6 | -75.4 | -60.6 | 117.9 | 0 | 0 | 112.4 | Y129 I130 A135 K136 R137 | Y129-E133 HydrophobicContact CD1-CG 4.24Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.77Å; Y129-E133 HydrophobicContact CE2-CG 3.84Å; Y129-E133 HydrophobicContact CG-CG 4.49Å; Y129-E133 WeakPolarHBondContact O-CB 3.44Å; Y129-E133 WeakPolarHBondContact O-CG 3.18Å; Y129-E133 PolarHBondContact O-N 3.37Å; I130-E133 PolarHBondContact O-N 3.36Å; E133-A135 VanDerWaalsContact C-N 3.34Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-K136 VanDerWaalsContact OE1-CD 3.3Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 3.73Å; E133-K136 PolarHBondContact OE1-NZ 3.36Å; E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 VanDerWaalsContact O-CG 3.3Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.32Å |
| 134 | V | 86.9 | Confident | 79 | Confident | 56 Ų | 56 | 102.6 Ų | 102.6 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 173.7 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | I130 E131 R137 K138 | I130-V134 HydrophobicContact CG2-CG2 4.03Å; I130-V134 WeakPolarHBondContact O-CB 3.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 3.25Å; E131-V134 PolarHBondContact O-N 2.7Å; V134-R137 PolarHBondContact O-N 2.98Å; V134-K138 HydrophobicContact CG1-CD 3.81Å; V134-K138 HydrophobicContact CG1-CG 4.26Å; V134-K138 VanDerWaalsContact O-CB 3.29Å; V134-K138 WeakPolarHBondContact O-CB 3.35Å; V134-K138 VanDerWaalsContact O-CG 3.31Å; V134-K138 WeakPolarHBondContact O-CG 3.48Å; V134-K138 PolarHBondContact O-N 3.35Å |
| 135 | A | 84.8 | Confident | 77.1 | Confident | 20 Ų | 20 | 105.6 Ų | 105.6 | 17% | 0.165 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -70.5 | -35.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E131 E132 E133 G139 L140 I141 | E131-A135 WeakPolarHBondContact O-CB 3.39Å; E131-A135 PolarHBondContact O-N 3.38Å; E132-A135 PolarHBondContact O-N 2.96Å; E133-A135 VanDerWaalsContact C-N 3.34Å; A135-G139 PolarHBondContact O-N 3.29Å; A135-G139 VanDerWaalsContact O-N 3.12Å; A135-L140 PolarHBondContact O-N 3.03Å; A135-L140 VanDerWaalsContact O-N 3.12Å; A135-I141 HydrophobicContact CB-CB 4.45Å; A135-I141 HydrophobicContact CB-CD1 3.37Å; A135-I141 HydrophobicContact CB-CG1 3.75Å; A135-I141 PolarHBondContact O-N 2.95Å |
| 136 | K | 84.1 | Confident | 75.4 | Confident | 83 Ų | 83 | 106.7 Ų | 106.7 | 36% | 0.361 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 167.9 | -74 | 170.5 | -171.9 | 162 | 0 | 111.2 | E132 E133 G139 | E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.7Å; E132-K136 WeakPolarHBondContact OE1-CE 3.19Å; E132-K136 IonicContact OE1-NZ 3.63Å; E132-K136 PolarHBondContact OE1-NZ 2.92Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-K136 VanDerWaalsContact OE1-CD 3.3Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 3.73Å; E133-K136 PolarHBondContact OE1-NZ 3.36Å; K136-G139 PolarHBondContact O-N 2.94Å |
| 137 | R | 81.2 | Confident | 73.5 | Confident | 210 Ų | 210 | 109.3 Ų | 109.3 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.7 | -34.7 | 178.3 | -72.1 | 176.9 | -173.3 | -178.2 | 3.2 | 113.6 | E133 V134 G139 | E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 VanDerWaalsContact O-CG 3.3Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.32Å; V134-R137 PolarHBondContact O-N 2.98Å; R137-G139 PolarHBondContact O-N 3.39Å |
| 138 | K | 80.1 | Confident | 71.5 | Confident | 156 Ų | 156 | 112.5 Ų | 112.5 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -6.1 | 175.3 | -74.8 | -179.6 | 177.6 | 177.7 | 0 | 113 | V134 L140 | V134-K138 HydrophobicContact CG1-CD 3.81Å; V134-K138 HydrophobicContact CG1-CG 4.26Å; V134-K138 VanDerWaalsContact O-CB 3.29Å; V134-K138 WeakPolarHBondContact O-CB 3.35Å; V134-K138 VanDerWaalsContact O-CG 3.31Å; V134-K138 WeakPolarHBondContact O-CG 3.48Å; V134-K138 PolarHBondContact O-N 3.35Å; K138-L140 HydrophobicContact CB-CD1 4.42Å; K138-L140 PolarHBondContact O-N 3.1Å |
| 139 | G | 70.2 | Confident | 69.7 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 14.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A135 K136 R137 I141 | A135-G139 PolarHBondContact O-N 3.29Å; A135-G139 VanDerWaalsContact O-N 3.12Å; K136-G139 PolarHBondContact O-N 2.94Å; R137-G139 PolarHBondContact O-N 3.39Å; G139-I141 VanDerWaalsContact C-N 3.35Å |
| 140 | L | 65.7 | Low | 68.2 | Low | 149 Ų | 149 | 114 Ų | 114 | 78% | 0.78 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -77.4 | -27.8 | 174.3 | -99.4 | 71.2 | 0 | 0 | 0 | 111.7 | A135 K138 | A135-L140 PolarHBondContact O-N 3.03Å; A135-L140 VanDerWaalsContact O-N 3.12Å; K138-L140 HydrophobicContact CB-CD1 4.42Å; K138-L140 PolarHBondContact O-N 3.1Å |
| 141 | I | 60.8 | Low | 66.7 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 40% | 0.395 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -109 | 104.8 | 172.6 | -59.2 | 175.6 | 0 | 0 | 0 | 105.4 | A135 G139 | A135-I141 HydrophobicContact CB-CB 4.45Å; A135-I141 HydrophobicContact CB-CD1 3.37Å; A135-I141 HydrophobicContact CB-CG1 3.75Å; A135-I141 PolarHBondContact O-N 2.95Å; G139-I141 VanDerWaalsContact C-N 3.35Å |
| 142 | K | 63.6 | Low | 65.2 | Low | 181 Ų | 181 | 114.1 Ų | 114.1 | 79% | 0.787 | 59% | 0.589 | S | S | * | * | trans | -55.1 | 132.9 | 163.4 | -68.3 | 178.5 | -179.1 | 178.2 | 0 | 106 | S144 | K142-S144 PolarHBondContact O-N 3.37Å; K142-S144 VanDerWaalsContact O-N 3.14Å | ||
| 143 | P | 55.7 | Low | 64.3 | Low | 89 Ų | 89 | 114.9 Ų | 114.9 | 58% | 0.578 | 60% | 0.596 | S | S | * | * | trans | -51.9 | 132.9 | 165.5 | 27.8 | -32.6 | 0 | 0 | 0 | 104.8 | T145 | P143-T145 PolarHBondContact O-N 3.3Å; P143-T145 PolarHBondContact O-OG1 3.15Å | ||
| 144 | S | 50.3 | Low | 63.4 | Low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | trans | -67.5 | 66.2 | 166.1 | 58.7 | 0 | 0 | 0 | 0 | 107.6 | K142 L146 | K142-S144 PolarHBondContact O-N 3.37Å; K142-S144 VanDerWaalsContact O-N 3.14Å; S144-L146 PolarHBondContact O-N 3.08Å | ||
| 145 | T | 44.2 | Very low | 62.6 | Low | 111 Ų | 111 | 124.1 Ų | 124.1 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | trans | -57.3 | 90.9 | 135.2 | 42.4 | 0 | 0 | 0 | 0 | 103.3 | P143 D147 | P143-T145 PolarHBondContact O-N 3.3Å; P143-T145 PolarHBondContact O-OG1 3.15Å; T145-D147 PolarHBondContact O-N 3.38Å; T145-D147 VanDerWaalsContact O-N 3.1Å | ||
| 146 | L | 49.1 | Very low | 61.9 | Low | 123 Ų | 123 | 130 Ų | 130 | 64% | 0.644 | 67% | 0.668 | S | S | * | * | trans | -31.7 | 120.4 | 154.6 | -64.8 | 162.7 | 0 | 0 | 0 | 105.7 | S144 R148 | S144-L146 PolarHBondContact O-N 3.08Å; L146-R148 PolarHBondContact O-N 3.36Å | ||
| 147 | D | 47.5 | Very low | 61.4 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 67% | 0.668 | S | S | * | * | trans | -54.3 | 93.1 | 156.6 | -69.3 | -51.5 | 0 | 0 | 0 | 104 | T145 D149 | T145-D147 PolarHBondContact O-N 3.38Å; T145-D147 VanDerWaalsContact O-N 3.1Å; D147-D149 VanDerWaalsContact C-N 3.33Å; D147-D149 PolarHBondContact O-N 3.17Å | ||
| 148 | R | 46.6 | Very low | 61 | Low | 158 Ų | 158 | 122.5 Ų | 122.5 | 60% | 0.596 | 65% | 0.649 | S | S | * | * | trans | -72.4 | 99.4 | 178.3 | -97.9 | -178 | 141.4 | -144.5 | -5 | 103.4 | L146 E150 D157 | L146-R148 PolarHBondContact O-N 3.36Å; R148-E150 PolarHBondContact O-N 3.06Å; R148-D157 IonicContact CZ-OD2 3.32Å; R148-D157 IonicContact NE-OD2 2.89Å; R148-D157 IonicContact NH2-OD2 2.78Å; R148-D157 PolarHBondContact NH2-OD2 3.03Å | ||
| 149 | D | 50.9 | Low | 60.9 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 66% | 0.658 | 63% | 0.634 | S | S | * | * | trans | -55.2 | 112.1 | 159.7 | -66.3 | -40.1 | 0 | 0 | 0 | 105.8 | D147 D151 S152 | D147-D149 VanDerWaalsContact C-N 3.33Å; D147-D149 PolarHBondContact O-N 3.17Å; D149-D151 PolarHBondContact O-N 2.9Å; D149-S152 PolarHBondContact O-N 3.34Å; D149-S152 PolarHBondContact O-OG 3.41Å | ||
| 150 | E | 57.2 | Low | 61 | Low | 193 Ų | 193 | 123.4 Ų | 123.4 | 90% | 0.902 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -2.5 | -177.5 | -57.2 | -159.6 | 157.2 | 0 | 0 | 112.7 | R148 | R148-E150 PolarHBondContact O-N 3.06Š|
| 151 | D | 58.4 | Low | 61.4 | Low | 161 Ų | 161 | 125.3 Ų | 125.3 | 86% | 0.861 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -0.1 | 178.3 | -60.8 | -27.9 | 0 | 0 | 0 | 114 | D149 D153 | D149-D151 PolarHBondContact O-N 2.9Å; D151-D153 PolarHBondContact O-N 3.33Å |
| 152 | S | 58 | Low | 62 | Low | 56 Ų | 56 | 126.7 Ų | 126.7 | 39% | 0.392 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -80 | 117.6 | 173.8 | 70.8 | 0 | 0 | 0 | 0 | 110.6 | D149 L154 | D149-S152 PolarHBondContact O-N 3.34Å; D149-S152 PolarHBondContact O-OG 3.41Å; S152-L154 PolarHBondContact O-N 2.83Å |
| 153 | D | 67.3 | Low | 62.5 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | trans | -36.6 | 114.2 | 179.7 | -138.6 | -6.3 | 0 | 0 | 0 | 112.7 | D151 L155 Q156 | D151-D153 PolarHBondContact O-N 3.33Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-Q156 HydrophobicContact CB-CG 4.07Å; D153-Q156 PolarHBondContact O-N 2.87Å | ||
| 154 | L | 69.1 | Low | 63 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -18.6 | 178.7 | -127.3 | 83.5 | 0 | 0 | 0 | 112.9 | S152 | S152-L154 PolarHBondContact O-N 2.83Š|
| 155 | L | 69.2 | Low | 63.6 | Low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -20.3 | 177.3 | -146.4 | 74.5 | 0 | 0 | 0 | 113.6 | D153 | D153-L155 PolarHBondContact O-N 2.92Š|
| 156 | Q | 71.3 | Confident | 64.3 | Low | 145 Ų | 145 | 126 Ų | 126 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -16 | 177.8 | -65.5 | -179.6 | 37.4 | 0 | 0 | 112.9 | D153 V158 | D153-Q156 HydrophobicContact CB-CG 4.07Å; D153-Q156 PolarHBondContact O-N 2.87Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 3.38Å |
| 157 | D | 72.7 | Confident | 64.6 | Low | 69 Ų | 69 | 122.4 Ų | 122.4 | 37% | 0.369 | 64% | 0.637 | S | S | . | * | trans | -74.7 | 79.9 | 174.5 | -93.8 | -2.4 | 0 | 0 | 0 | 110.9 | R148 P159 | R148-D157 IonicContact CZ-OD2 3.32Å; R148-D157 IonicContact NE-OD2 2.89Å; R148-D157 IonicContact NH2-OD2 2.78Å; R148-D157 PolarHBondContact NH2-OD2 3.03Å; D157-P159 WeakPolarHBondContact O-CD 3.27Å | ||
| 158 | V | 73.9 | Confident | 65.1 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 39% | 0.394 | 63% | 0.63 | S | S | . | * | trans | -74 | 125.2 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | Q156 L162 K163 | Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 3.38Å; V158-L162 HydrophobicContact CG1-CB 3.35Å; V158-K163 HydrophobicContact CB-CG 4.39Å; V158-K163 HydrophobicContact CG1-CG 4.24Å; V158-K163 WeakPolarHBondContact O-CE 3.49Å | ||
| 159 | P | 78.3 | Confident | 65.6 | Low | 54 Ų | 54 | 120.1 Ų | 120.1 | 35% | 0.351 | 63% | 0.628 | S | S | . | * | trans | -52.6 | 146.6 | 174.2 | -27.1 | 33.2 | 0 | 0 | 0 | 112.9 | D157 Y161 L162 K163 | D157-P159 WeakPolarHBondContact O-CD 3.27Å; P159-Y161 HydrophobicContact CB-CD1 3.73Å; P159-Y161 HydrophobicContact CB-CE1 3.2Å; P159-Y161 HydrophobicContact CB-CE2 4.36Å; P159-Y161 HydrophobicContact CB-CG 4.47Å; P159-Y161 HydrophobicContact CG-CE1 4.07Å; P159-Y161 PolarHBondContact O-N 2.98Å; P159-Y161 VanDerWaalsContact O-N 3.1Å; P159-L162 HydrophobicContact CG-CD1 4.25Å; P159-L162 WeakPolarHBondContact O-CA 3.39Å; P159-L162 WeakPolarHBondContact O-CB 3.45Å; P159-L162 PolarHBondContact O-N 3.11Å; P159-K163 PolarHBondContact O-N 2.95Å | ||
| 160 | E | 72.1 | Confident | 65.8 | Low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -56.2 | -33.3 | -172.4 | -166.5 | 172.9 | -174.2 | 0 | 0 | 113.9 | L162 K163 | E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.21Å; E160-K163 PolarHBondContact O-N 3.29Å |
| 161 | Y | 73.7 | Confident | 66 | Low | 189 Ų | 189 | 121.2 Ų | 121.2 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -73.6 | -11.4 | 176.1 | 62.9 | -92.3 | 0 | 0 | 0 | 114.5 | P159 | P159-Y161 HydrophobicContact CB-CD1 3.73Å; P159-Y161 HydrophobicContact CB-CE1 3.2Å; P159-Y161 HydrophobicContact CB-CE2 4.36Å; P159-Y161 HydrophobicContact CB-CG 4.47Å; P159-Y161 HydrophobicContact CG-CE1 4.07Å; P159-Y161 PolarHBondContact O-N 2.98Å; P159-Y161 VanDerWaalsContact O-N 3.1Å |
| 162 | L | 73 | Confident | 66.2 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -105.1 | -7.6 | 175.4 | -69 | 174.4 | 0 | 0 | 0 | 112.5 | V158 P159 E160 | V158-L162 HydrophobicContact CG1-CB 3.35Å; P159-L162 HydrophobicContact CG-CD1 4.25Å; P159-L162 WeakPolarHBondContact O-CA 3.39Å; P159-L162 WeakPolarHBondContact O-CB 3.45Å; P159-L162 PolarHBondContact O-N 3.11Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.21Å |
| 163 | K | 74.9 | Confident | 66.2 | Low | 120 Ų | 120 | 119.7 Ų | 119.7 | 52% | 0.522 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -72.8 | 123.8 | 173.1 | -66.2 | -174.6 | -176.1 | -178 | 0 | 107.9 | V158 P159 E160 S165 | V158-K163 HydrophobicContact CB-CG 4.39Å; V158-K163 HydrophobicContact CG1-CG 4.24Å; V158-K163 WeakPolarHBondContact O-CE 3.49Å; P159-K163 PolarHBondContact O-N 2.95Å; E160-K163 PolarHBondContact O-N 3.29Å; K163-S165 PolarHBondContact O-N 2.72Å |
| 164 | P | 65.9 | Low | 66 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | trans | -60 | 119.5 | 172.9 | 25.3 | -31.8 | 0 | 0 | 0 | 107.3 | I166 | P164-I166 HydrophobicContact CB-CG1 4.46Å; P164-I166 HydrophobicContact CG-CD1 4.4Å; P164-I166 PolarHBondContact O-N 3.07Å | ||
| 165 | S | 63.4 | Low | 66 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 58% | 0.58 | 60% | 0.595 | S | S | * | * | trans | -69.8 | 88.3 | 174.8 | 61.7 | 0 | 0 | 0 | 0 | 108.2 | K163 G167 | K163-S165 PolarHBondContact O-N 2.72Å; S165-G167 PolarHBondContact O-N 3.27Å | ||
| 166 | I | 57.5 | Low | 66.1 | Low | 167 Ų | 167 | 111.9 Ų | 111.9 | 86% | 0.856 | 58% | 0.575 | S | S | * | * | trans | -76.2 | 83.2 | 172.3 | -61.9 | 160.2 | 0 | 0 | 0 | 106 | P164 | P164-I166 HydrophobicContact CB-CG1 4.46Å; P164-I166 HydrophobicContact CG-CD1 4.4Å; P164-I166 PolarHBondContact O-N 3.07Å | ||
| 167 | G | 56.6 | Low | 66.1 | Low | 48 Ų | 48 | 110 Ų | 110 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | S | Bend | trans | 165.4 | 136.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | S165 Q169 | S165-G167 PolarHBondContact O-N 3.27Å; G167-Q169 WeakPolarHBondContact O-CB 3.44Å; G167-Q169 WeakPolarHBondContact O-CG 3.46Å; G167-Q169 PolarHBondContact O-N 3.34Å |
| 168 | Q | 56.2 | Low | 66.1 | Low | 152 Ų | 152 | 113 Ų | 113 | 71% | 0.71 | 58% | 0.579 | S | S | * | * | trans | -49.2 | 93.8 | -173.1 | -60.3 | -179.2 | -56.7 | 0 | 0 | 112.2 | M173 | Q168-M173 HydrophobicContact CB-CE 4.13Š| ||
| 169 | Q | 57 | Low | 65.9 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | trans | -125.5 | 103.8 | -174.5 | -73.1 | -81.9 | -18.3 | 0 | 0 | 108.9 | G167 E171 | G167-Q169 WeakPolarHBondContact O-CB 3.44Å; G167-Q169 WeakPolarHBondContact O-CG 3.46Å; G167-Q169 PolarHBondContact O-N 3.34Å; Q169-E171 PolarHBondContact O-N 2.83Å | ||
| 170 | K | 56.7 | Low | 65.6 | Low | 183 Ų | 183 | 118.3 Ų | 118.3 | 80% | 0.796 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 54.5 | -35 | 161.9 | -67.3 | -179.6 | 177.9 | 173.9 | 0 | 120.4 | ||
| 171 | E | 60.4 | Low | 65.6 | Low | 157 Ų | 157 | 111.6 Ų | 111.6 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -88.6 | -39.8 | -176.2 | -166.5 | 168.9 | -176.9 | 0 | 0 | 112 | Q169 M173 L174 S175 | Q169-E171 PolarHBondContact O-N 2.83Å; E171-M173 VanDerWaalsContact C-N 3.29Å; E171-M173 PolarHBondContact O-N 2.74Å; E171-L174 PolarHBondContact O-N 3.2Å; E171-S175 VanDerWaalsContact O-CB 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.32Å; E171-S175 PolarHBondContact O-N 3.41Å |
| 172 | D | 62.3 | Low | 65.5 | Low | 100 Ų | 100 | 109 Ų | 109 | 54% | 0.535 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.1 | -33.1 | 179.2 | -71.3 | -15.4 | 0 | 0 | 0 | 113 | L174 N176 | D172-L174 VanDerWaalsContact C-N 3.34Å; D172-L174 PolarHBondContact O-N 3.1Å; D172-N176 PolarHBondContact O-N 3.38Å |
| 173 | M | 59.7 | Low | 65.7 | Low | 84 Ų | 84 | 108.6 Ų | 108.6 | 41% | 0.414 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.6 | -25.4 | -178.4 | -65.9 | -67.9 | -178.4 | 0 | 0 | 113.2 | Q168 E171 | Q168-M173 HydrophobicContact CB-CE 4.13Å; E171-M173 VanDerWaalsContact C-N 3.29Å; E171-M173 PolarHBondContact O-N 2.74Å |
| 174 | L | 62.4 | Low | 65.9 | Low | 115 Ų | 115 | 111 Ų | 111 | 60% | 0.602 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -96.9 | -31.3 | 175.5 | -171.5 | 64.6 | 0 | 0 | 0 | 111.9 | E171 D172 N176 Q177 M178 | E171-L174 PolarHBondContact O-N 3.2Å; D172-L174 VanDerWaalsContact C-N 3.34Å; D172-L174 PolarHBondContact O-N 3.1Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 2.91Å; L174-Q177 PolarHBondContact O-N 3.28Å; L174-M178 WeakPolarHBondContact O-CG 3.24Å; L174-M178 PolarHBondContact O-N 3.16Å; L174-M178 VanDerWaalsContact O-N 3.11Å |
| 175 | S | 68.9 | Low | 66.5 | Low | 45 Ų | 45 | 111.6 Ų | 111.6 | 32% | 0.315 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -50.9 | -51 | 173.7 | 160.9 | 0 | 0 | 0 | 0 | 111.5 | E171 Q177 M178 L179 | E171-S175 VanDerWaalsContact O-CB 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.32Å; E171-S175 PolarHBondContact O-N 3.41Å; S175-Q177 VanDerWaalsContact C-N 3.3Å; S175-Q177 PolarHBondContact O-N 2.95Å; S175-M178 WeakPolarHBondContact O-CB 3.31Å; S175-M178 PolarHBondContact O-N 2.99Å; S175-L179 WeakPolarHBondContact O-CG 3.5Å; S175-L179 PolarHBondContact O-N 3.43Å |
| 176 | N | 70.6 | Confident | 67.5 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -36.1 | -177.4 | -65.5 | -15.8 | 0 | 0 | 0 | 111.9 | D172 L174 M178 L179 C180 | D172-N176 PolarHBondContact O-N 3.38Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 2.91Å; N176-M178 VanDerWaalsContact C-N 3.31Å; N176-M178 PolarHBondContact O-N 3Å; N176-L179 PolarHBondContact O-N 3.36Å; N176-C180 WeakPolarHBondContact O-CB 3.5Å; N176-C180 PolarHBondContact O-N 3.26Å; N176-C180 PolarHBondContact O-SG 3.04Å |
| 177 | Q | 71.1 | Confident | 68.7 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 49% | 0.486 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66 | -32.8 | 175.1 | -176.7 | 60.3 | 68.8 | 0 | 0 | 112.8 | L174 S175 | L174-Q177 PolarHBondContact O-N 3.28Å; S175-Q177 VanDerWaalsContact C-N 3.3Å; S175-Q177 PolarHBondContact O-N 2.95Å |
| 178 | M | 74 | Confident | 70.2 | Confident | 132 Ų | 132 | 110.5 Ų | 110.5 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.9 | -32.8 | 175.1 | -67.4 | -68.9 | -66 | 0 | 0 | 112 | L174 S175 N176 | L174-M178 WeakPolarHBondContact O-CG 3.24Å; L174-M178 PolarHBondContact O-N 3.16Å; L174-M178 VanDerWaalsContact O-N 3.11Å; S175-M178 WeakPolarHBondContact O-CB 3.31Å; S175-M178 PolarHBondContact O-N 2.99Å; N176-M178 VanDerWaalsContact C-N 3.31Å; N176-M178 PolarHBondContact O-N 3Å |
| 179 | L | 69.6 | Low | 71.9 | Confident | 135 Ų | 135 | 108.6 Ų | 108.6 | 71% | 0.707 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.9 | -35.4 | 178.9 | -71 | 174 | 0 | 0 | 0 | 113.3 | S175 N176 G181 | S175-L179 WeakPolarHBondContact O-CG 3.5Å; S175-L179 PolarHBondContact O-N 3.43Å; N176-L179 PolarHBondContact O-N 3.36Å; L179-G181 PolarHBondContact O-N 3.33Å |
| 180 | C | 71 | Confident | 73.6 | Confident | 96 Ų | 96 | 111.4 Ų | 111.4 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -1.8 | 177.5 | -68.4 | 0 | 0 | 0 | 0 | 113.8 | N176 | N176-C180 WeakPolarHBondContact O-CB 3.5Å; N176-C180 PolarHBondContact O-N 3.26Å; N176-C180 PolarHBondContact O-SG 3.04Å |
| 181 | G | 72.8 | Confident | 75.4 | Confident | 36 Ų | 36 | 104.6 Ų | 104.6 | 37% | 0.371 | 58% | 0.578 | S | S | . | * | trans | 81.9 | 146.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L179 P183 | L179-G181 PolarHBondContact O-N 3.33Å; G181-P183 WeakPolarHBondContact O-CD 3.33Å | ||
| 182 | I | 71.7 | Confident | 76.9 | Confident | 135 Ų | 135 | 101.9 Ų | 101.9 | 69% | 0.692 | 56% | 0.563 | S | S | * | * | trans | -69.9 | 124.9 | 172.2 | -60.1 | 171.8 | 0 | 0 | 0 | 106.7 | E184 | I182-E184 PolarHBondContact O-N 3.35Š| ||
| 183 | P | 77.2 | Confident | 78.4 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | trans | -53.9 | 114.6 | 169.9 | -24.4 | 34.2 | 0 | 0 | 0 | 109.2 | G181 V185 | G181-P183 WeakPolarHBondContact O-CD 3.33Å; P183-V185 PolarHBondContact O-N 3.1Å | ||
| 184 | E | 78.1 | Confident | 80.2 | Confident | 170 Ų | 170 | 104.4 Ų | 104.4 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | trans | -67.4 | 109.4 | -178.8 | -64.2 | -173.2 | -158.6 | 0 | 0 | 108.5 | I182 D186 | I182-E184 PolarHBondContact O-N 3.35Å; E184-D186 PolarHBondContact O-N 2.85Å | ||
| 185 | V | 79.2 | Confident | 81.6 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | trans | -79 | 110 | 161.4 | 179.4 | 0 | 0 | 0 | 0 | 106.1 | P183 L187 | P183-V185 PolarHBondContact O-N 3.1Å; V185-L187 PolarHBondContact O-N 3.49Å | ||
| 186 | D | 85 | Confident | 82.8 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 70% | 0.701 | 57% | 0.573 | S | S | * | * | trans | -61.7 | 97.7 | 176 | -90.6 | -28.3 | 0 | 0 | 0 | 110.1 | E184 G188 | E184-D186 PolarHBondContact O-N 2.85Å; D186-G188 PolarHBondContact O-N 2.83Å; D186-G188 VanDerWaalsContact O-N 3.1Å | ||
| 187 | L | 81.8 | Confident | 84 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | trans | -66 | -9.1 | 174.9 | -58.2 | 178.8 | 0 | 0 | 0 | 112.4 | V185 A191 K192 | V185-L187 PolarHBondContact O-N 3.49Å; L187-A191 WeakPolarHBondContact O-CB 3.07Å; L187-K192 HydrophobicContact CB-CG 4.4Å | ||
| 188 | G | 88.8 | Confident | 85.2 | Confident | 35 Ų | 35 | 105.3 Ų | 105.3 | 36% | 0.361 | 58% | 0.578 | S | S | . | * | trans | 78.4 | 146.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D186 E190 A191 K192 | D186-G188 PolarHBondContact O-N 2.83Å; D186-G188 VanDerWaalsContact O-N 3.1Å; G188-E190 VanDerWaalsContact C-N 3.27Å; G188-E190 PolarHBondContact O-N 3.37Å; G188-A191 PolarHBondContact O-N 3.04Å; G188-K192 WeakPolarHBondContact O-CG 3.41Å; G188-K192 PolarHBondContact O-N 3.06Å; G188-K192 VanDerWaalsContact O-N 3.17Å | ||
| 189 | V | 91.3 | Very high | 86.2 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 69% | 0.685 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.7 | -37.8 | 179 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | A191 K192 M193 | V189-A191 PolarHBondContact O-N 3.31Å; V189-K192 PolarHBondContact O-N 3.42Å; V189-M193 HydrophobicContact CG1-CG 4.14Å; V189-M193 WeakPolarHBondContact O-CB 3.25Å; V189-M193 VanDerWaalsContact O-CG 3.25Å; V189-M193 WeakPolarHBondContact O-CG 3.43Å; V189-M193 PolarHBondContact O-N 2.88Å |
| 190 | E | 93.6 | Very high | 87.4 | Confident | 174 Ų | 174 | 101.8 Ų | 101.8 | 81% | 0.813 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -43 | 179.6 | -63.8 | 176.8 | -174.9 | 0 | 0 | 112.8 | G188 M193 K194 | G188-E190 VanDerWaalsContact C-N 3.27Å; G188-E190 PolarHBondContact O-N 3.37Å; E190-M193 PolarHBondContact O-N 3.4Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 PolarHBondContact O-N 3.17Å |
| 191 | A | 93.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 103.6 Ų | 103.6 | 34% | 0.339 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L187 G188 V189 M193 K194 N195 | L187-A191 WeakPolarHBondContact O-CB 3.07Å; G188-A191 PolarHBondContact O-N 3.04Å; V189-A191 PolarHBondContact O-N 3.31Å; A191-M193 VanDerWaalsContact C-N 3.34Å; A191-K194 PolarHBondContact O-N 3.43Å; A191-N195 VanDerWaalsContact O-CG 3.26Å; A191-N195 PolarHBondContact O-N 3.36Å; A191-N195 PolarHBondContact O-ND2 3.44Å |
| 192 | K | 93.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 104.9 Ų | 104.9 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.3 | -45.7 | 172.6 | -70.7 | 176.8 | -178.3 | 177 | 0 | 110.5 | L187 G188 V189 N195 I196 | L187-K192 HydrophobicContact CB-CG 4.4Å; G188-K192 WeakPolarHBondContact O-CG 3.41Å; G188-K192 PolarHBondContact O-N 3.06Å; G188-K192 VanDerWaalsContact O-N 3.17Å; V189-K192 PolarHBondContact O-N 3.42Å; K192-N195 PolarHBondContact O-N 2.94Å; K192-I196 WeakPolarHBondContact O-CD1 3.28Å; K192-I196 VanDerWaalsContact O-CG1 3.27Å; K192-I196 WeakPolarHBondContact O-CG1 3.26Å; K192-I196 PolarHBondContact O-N 3.39Å |
| 193 | M | 93.9 | Very high | 90.6 | Very high | 89 Ų | 89 | 104.7 Ų | 104.7 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.2 | -45.2 | 177.4 | -72 | -57.1 | -64.2 | 0 | 0 | 112.4 | V189 E190 A191 N195 I196 E197 | V189-M193 HydrophobicContact CG1-CG 4.14Å; V189-M193 WeakPolarHBondContact O-CB 3.25Å; V189-M193 VanDerWaalsContact O-CG 3.25Å; V189-M193 WeakPolarHBondContact O-CG 3.43Å; V189-M193 PolarHBondContact O-N 2.88Å; E190-M193 PolarHBondContact O-N 3.4Å; A191-M193 VanDerWaalsContact C-N 3.34Å; M193-N195 VanDerWaalsContact C-N 3.28Å; M193-N195 PolarHBondContact O-N 3.49Å; M193-I196 CarbonylContact O-C 3.58Å; M193-I196 WeakPolarHBondContact O-CA 3.5Å; M193-I196 WeakPolarHBondContact O-CB 3.38Å; M193-I196 PolarHBondContact O-N 3.27Å; M193-I196 HydrophobicContact SD-CD1 4.25Å; M193-E197 WeakPolarHBondContact O-CG 3.27Å; M193-E197 PolarHBondContact O-N 3.04Å |
| 194 | K | 95.9 | Very high | 91.2 | Very high | 148 Ų | 148 | 104.3 Ų | 104.3 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.3 | -38.3 | 176.5 | -173.7 | 178.4 | -179.8 | 179.7 | 0 | 112.6 | E190 A191 E197 A198 | E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 PolarHBondContact O-N 3.17Å; A191-K194 PolarHBondContact O-N 3.43Å; K194-E197 PolarHBondContact O-N 3.31Å; K194-A198 WeakPolarHBondContact O-CB 3.44Å; K194-A198 PolarHBondContact O-N 3.37Å |
| 195 | N | 93.5 | Very high | 91.8 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 175.2 | -70.5 | -19.7 | 0 | 0 | 0 | 111.7 | A191 K192 M193 T199 | A191-N195 VanDerWaalsContact O-CG 3.26Å; A191-N195 PolarHBondContact O-N 3.36Å; A191-N195 PolarHBondContact O-ND2 3.44Å; K192-N195 PolarHBondContact O-N 2.94Å; M193-N195 VanDerWaalsContact C-N 3.28Å; M193-N195 PolarHBondContact O-N 3.49Å; N195-T199 WeakPolarHBondContact O-CB 3.35Å; N195-T199 VanDerWaalsContact O-CG2 3.28Å; N195-T199 WeakPolarHBondContact O-CG2 3.49Å; N195-T199 PolarHBondContact O-N 3Å; N195-T199 PolarHBondContact O-OG1 2.82Å |
| 196 | I | 93.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 98.5 Ų | 98.5 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.4 | -67.9 | 163.6 | 0 | 0 | 0 | 110.2 | K192 M193 T199 E200 | K192-I196 WeakPolarHBondContact O-CD1 3.28Å; K192-I196 VanDerWaalsContact O-CG1 3.27Å; K192-I196 WeakPolarHBondContact O-CG1 3.26Å; K192-I196 PolarHBondContact O-N 3.39Å; M193-I196 CarbonylContact O-C 3.58Å; M193-I196 WeakPolarHBondContact O-CA 3.5Å; M193-I196 WeakPolarHBondContact O-CB 3.38Å; M193-I196 PolarHBondContact O-N 3.27Å; M193-I196 HydrophobicContact SD-CD1 4.25Å; I196-T199 PolarHBondContact O-N 2.8Å; I196-T199 PolarHBondContact O-OG1 2.83Å; I196-E200 VanDerWaalsContact O-CB 3.26Å; I196-E200 WeakPolarHBondContact O-CB 3.37Å; I196-E200 PolarHBondContact O-N 2.85Å |
| 197 | E | 95.9 | Very high | 92.2 | Very high | 115 Ų | 115 | 97.6 Ų | 97.6 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 178 | -71.7 | 171.1 | -173.6 | 0 | 0 | 111.9 | M193 K194 T199 E200 E201 | M193-E197 WeakPolarHBondContact O-CG 3.27Å; M193-E197 PolarHBondContact O-N 3.04Å; K194-E197 PolarHBondContact O-N 3.31Å; E197-T199 PolarHBondContact O-N 2.97Å; E197-E200 PolarHBondContact O-N 3.08Å; E197-E201 WeakPolarHBondContact O-CB 3.43Å; E197-E201 PolarHBondContact O-N 3.45Å |
| 198 | A | 95.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K194 A202 | K194-A198 WeakPolarHBondContact O-CB 3.44Å; K194-A198 PolarHBondContact O-N 3.37Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.39Å; A198-A202 VanDerWaalsContact O-N 3.08Å |
| 199 | T | 95.8 | Very high | 92.2 | Very high | 94 Ų | 94 | 105.2 Ų | 105.2 | 58% | 0.577 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.3 | -34.8 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 112 | N195 I196 E197 K203 | N195-T199 WeakPolarHBondContact O-CB 3.35Å; N195-T199 VanDerWaalsContact O-CG2 3.28Å; N195-T199 WeakPolarHBondContact O-CG2 3.49Å; N195-T199 PolarHBondContact O-N 3Å; N195-T199 PolarHBondContact O-OG1 2.82Å; I196-T199 PolarHBondContact O-N 2.8Å; I196-T199 PolarHBondContact O-OG1 2.83Å; E197-T199 PolarHBondContact O-N 2.97Å; T199-K203 WeakPolarHBondContact O-CB 3.33Å; T199-K203 PolarHBondContact O-N 2.88Å |
| 200 | E | 95.1 | Very high | 91.6 | Very high | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 173.7 | -174.6 | 175.2 | -176.7 | 0 | 0 | 111.8 | I196 E197 A202 K203 Q204 | I196-E200 VanDerWaalsContact O-CB 3.26Å; I196-E200 WeakPolarHBondContact O-CB 3.37Å; I196-E200 PolarHBondContact O-N 2.85Å; E197-E200 PolarHBondContact O-N 3.08Å; E200-A202 PolarHBondContact O-N 3.06Å; E200-K203 CarbonylContact O-C 3.59Å; E200-K203 WeakPolarHBondContact O-CB 3.32Å; E200-K203 PolarHBondContact O-N 2.77Å; E200-Q204 HydrophobicContact CG-CG 4.24Å; E200-Q204 WeakPolarHBondContact O-CB 3.44Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-N 3.46Å; E200-Q204 PolarHBondContact OE1-NE2 3.2Å |
| 201 | E | 94.9 | Very high | 90.7 | Very high | 134 Ų | 134 | 105.5 Ų | 105.5 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 178 | -173.1 | -175.6 | -178.5 | 0 | 0 | 111.3 | E197 K203 Q204 T205 | E197-E201 WeakPolarHBondContact O-CB 3.43Å; E197-E201 PolarHBondContact O-N 3.45Å; E201-K203 VanDerWaalsContact C-N 3.34Å; E201-K203 PolarHBondContact O-N 2.85Å; E201-Q204 PolarHBondContact O-N 3.28Å; E201-T205 WeakPolarHBondContact O-CB 3.21Å; E201-T205 PolarHBondContact O-N 3.02Å; E201-T205 PolarHBondContact O-OG1 3.47Å |
| 202 | A | 93.1 | Very high | 89.5 | Confident | 62 Ų | 62 | 106.8 Ų | 106.8 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A198 E200 T205 L206 | A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.39Å; A198-A202 VanDerWaalsContact O-N 3.08Å; E200-A202 PolarHBondContact O-N 3.06Å; A202-T205 PolarHBondContact O-N 3.25Å; A202-L206 PolarHBondContact O-N 2.91Å |
| 203 | K | 94.2 | Very high | 88.1 | Confident | 131 Ų | 131 | 109.5 Ų | 109.5 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -48 | 175.8 | 179.2 | 178.7 | 177.3 | -175.2 | 0 | 111.3 | T199 E200 E201 T205 L206 F207 | T199-K203 WeakPolarHBondContact O-CB 3.33Å; T199-K203 PolarHBondContact O-N 2.88Å; E200-K203 CarbonylContact O-C 3.59Å; E200-K203 WeakPolarHBondContact O-CB 3.32Å; E200-K203 PolarHBondContact O-N 2.77Å; E201-K203 VanDerWaalsContact C-N 3.34Å; E201-K203 PolarHBondContact O-N 2.85Å; K203-T205 VanDerWaalsContact C-N 3.32Å; K203-T205 PolarHBondContact O-N 3.47Å; K203-L206 PolarHBondContact O-N 2.85Å; K203-F207 HydrophobicContact CD-CE2 4.14Å; K203-F207 HydrophobicContact CG-CD2 3.76Å; K203-F207 HydrophobicContact CG-CE2 3.47Å; K203-F207 VanDerWaalsContact CG-CE2 3.47Å; K203-F207 WeakPolarHBondContact O-CD2 3.32Å; K203-F207 PolarHBondContact O-N 3.38Å |
| 204 | Q | 90.8 | Very high | 86.3 | Confident | 88 Ų | 88 | 112.4 Ų | 112.4 | 41% | 0.411 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -41.7 | 176.8 | -73.2 | -173.1 | 19.4 | 0 | 0 | 111.3 | E200 E201 F207 R208 | E200-Q204 HydrophobicContact CG-CG 4.24Å; E200-Q204 WeakPolarHBondContact O-CB 3.44Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-N 3.46Å; E200-Q204 PolarHBondContact OE1-NE2 3.2Å; E201-Q204 PolarHBondContact O-N 3.28Å; Q204-F207 PolarHBondContact O-N 3.37Å; Q204-R208 WeakPolarHBondContact O-CG 2.84Å; Q204-R208 PolarHBondContact O-N 2.93Å |
| 205 | T | 91 | Very high | 84 | Confident | 54 Ų | 54 | 114.4 Ų | 114.4 | 33% | 0.331 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | E201 A202 K203 R208 K209 | E201-T205 WeakPolarHBondContact O-CB 3.21Å; E201-T205 PolarHBondContact O-N 3.02Å; E201-T205 PolarHBondContact O-OG1 3.47Å; A202-T205 PolarHBondContact O-N 3.25Å; K203-T205 VanDerWaalsContact C-N 3.32Å; K203-T205 PolarHBondContact O-N 3.47Å; T205-R208 PolarHBondContact O-N 3.13Å; T205-K209 HydrophobicContact CG2-CD 4.15Å; T205-K209 WeakPolarHBondContact O-CB 3.33Å; T205-K209 WeakPolarHBondContact O-CG 3.12Å; T205-K209 PolarHBondContact O-N 3.43Å |
| 206 | L | 86.3 | Confident | 81.8 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.6 | -45.4 | 174.5 | -161 | 176.6 | 0 | 0 | 0 | 110.5 | A202 K203 R208 K209 R210 | A202-L206 PolarHBondContact O-N 2.91Å; K203-L206 PolarHBondContact O-N 2.85Å; L206-R208 PolarHBondContact O-N 3.1Å; L206-K209 PolarHBondContact O-N 2.91Å; L206-R210 HydrophobicContact CD2-CB 4.43Å; L206-R210 WeakPolarHBondContact O-CB 3.46Å; L206-R210 PolarHBondContact O-N 3.13Å |
| 207 | F | 85 | Confident | 79.8 | Confident | 112 Ų | 112 | 118.9 Ų | 118.9 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -44.6 | 176.1 | -80.7 | -64.4 | 0 | 0 | 0 | 112.5 | K203 Q204 R210 L211 | K203-F207 HydrophobicContact CD-CE2 4.14Å; K203-F207 HydrophobicContact CG-CD2 3.76Å; K203-F207 HydrophobicContact CG-CE2 3.47Å; K203-F207 VanDerWaalsContact CG-CE2 3.47Å; K203-F207 WeakPolarHBondContact O-CD2 3.32Å; K203-F207 PolarHBondContact O-N 3.38Å; Q204-F207 PolarHBondContact O-N 3.37Å; F207-R210 PolarHBondContact O-N 2.97Å; F207-L211 WeakPolarHBondContact O-CB 3.4Å; F207-L211 PolarHBondContact O-N 2.8Å |
| 208 | R | 86.1 | Confident | 77.8 | Confident | 187 Ų | 187 | 116.3 Ų | 116.3 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.5 | -47 | 174.3 | -72.6 | 177.5 | -176.2 | -138.5 | 4.2 | 111.5 | Q204 T205 L206 R210 L211 G212 | Q204-R208 WeakPolarHBondContact O-CG 2.84Å; Q204-R208 PolarHBondContact O-N 2.93Å; T205-R208 PolarHBondContact O-N 3.13Å; L206-R208 PolarHBondContact O-N 3.1Å; R208-R210 VanDerWaalsContact C-N 3.33Å; R208-R210 PolarHBondContact O-N 3.48Å; R208-L211 PolarHBondContact O-N 2.97Å; R208-G212 PolarHBondContact O-N 3.14Å |
| 209 | K | 84.4 | Confident | 75.9 | Confident | 117 Ų | 117 | 119.8 Ų | 119.8 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.5 | -40.2 | 175.1 | -75.1 | 173.6 | -179.9 | 175.1 | 0 | 111.7 | T205 L206 R213 | T205-K209 HydrophobicContact CG2-CD 4.15Å; T205-K209 WeakPolarHBondContact O-CB 3.33Å; T205-K209 WeakPolarHBondContact O-CG 3.12Å; T205-K209 PolarHBondContact O-N 3.43Å; L206-K209 PolarHBondContact O-N 2.91Å; K209-R213 VanDerWaalsContact O-CB 3.32Å; K209-R213 WeakPolarHBondContact O-CB 3.39Å; K209-R213 WeakPolarHBondContact O-CG 3.44Å; K209-R213 PolarHBondContact O-N 3.27Å |
| 210 | R | 78.6 | Confident | 74.1 | Confident | 171 Ų | 171 | 121.6 Ų | 121.6 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.9 | -38.3 | 178.1 | -173.8 | 176.9 | -179.5 | 177.2 | 0.8 | 112.2 | L206 F207 R208 R213 | L206-R210 HydrophobicContact CD2-CB 4.43Å; L206-R210 WeakPolarHBondContact O-CB 3.46Å; L206-R210 PolarHBondContact O-N 3.13Å; F207-R210 PolarHBondContact O-N 2.97Å; R208-R210 VanDerWaalsContact C-N 3.33Å; R208-R210 PolarHBondContact O-N 3.48Å; R210-R213 PolarHBondContact O-N 3.27Å |
| 211 | L | 74.4 | Confident | 72.1 | Confident | 122 Ų | 122 | 123.3 Ų | 123.3 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.5 | -40.6 | 176.7 | -134.1 | 72.4 | 0 | 0 | 0 | 111.1 | F207 R208 R213 K214 | F207-L211 WeakPolarHBondContact O-CB 3.4Å; F207-L211 PolarHBondContact O-N 2.8Å; R208-L211 PolarHBondContact O-N 2.97Å; L211-R213 VanDerWaalsContact C-N 3.33Å; L211-K214 PolarHBondContact O-N 3.46Å |
| 212 | G | 69.4 | Low | 70.4 | Confident | 68 Ų | 68 | 125.7 Ų | 125.7 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.3 | -26.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R208 K214 | R208-G212 PolarHBondContact O-N 3.14Å; G212-K214 VanDerWaalsContact C-N 3.3Å; G212-K214 PolarHBondContact O-N 3.3Å |
| 213 | R | 63.6 | Low | 68.7 | Low | 155 Ų | 155 | 126 Ų | 126 | 59% | 0.585 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 4.4 | 177.5 | -75.5 | 179.2 | -141.3 | -151.9 | 4.7 | 114.8 | K209 R210 L211 H215 G216 | K209-R213 VanDerWaalsContact O-CB 3.32Å; K209-R213 WeakPolarHBondContact O-CB 3.39Å; K209-R213 WeakPolarHBondContact O-CG 3.44Å; K209-R213 PolarHBondContact O-N 3.27Å; R210-R213 PolarHBondContact O-N 3.27Å; L211-R213 VanDerWaalsContact C-N 3.33Å; R213-H215 PolarHBondContact O-N 2.96Å; R213-G216 PolarHBondContact O-N 3.43Å |
| 214 | K | 56.9 | Low | 67.1 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 1.5 | 178.9 | -74.1 | -162.1 | 174.8 | -171.5 | 0 | 115.4 | L211 G212 | L211-K214 PolarHBondContact O-N 3.46Å; G212-K214 VanDerWaalsContact C-N 3.3Å; G212-K214 PolarHBondContact O-N 3.3Å |
| 215 | H | 47.5 | Very low | 65.8 | Low | 190 Ų | 190 | 126.6 Ų | 126.6 | 88% | 0.88 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 12.5 | 174.9 | -72 | 87.9 | 0 | 0 | 0 | 115.1 | R213 | R213-H215 PolarHBondContact O-N 2.96Š|
| 216 | G | 47.4 | Very low | 64.4 | Low | 48 Ų | 48 | 126.8 Ų | 126.8 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | trans | -126.5 | 107.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R213 S218 | R213-G216 PolarHBondContact O-N 3.43Å; G216-S218 PolarHBondContact O-N 3.41Å | ||
| 217 | Y | 49.6 | Very low | 63.1 | Low | 233 Ų | 233 | 128.5 Ų | 128.5 | 91% | 0.914 | 66% | 0.659 | S | S | * | * | trans | -49.4 | 111.9 | 162.4 | -94 | -99.4 | 0 | 0 | 0 | 108.7 | T219 | Y217-T219 PolarHBondContact O-N 3.33Å; Y217-T219 VanDerWaalsContact O-N 3.13Å | ||
| 218 | S | 53.5 | Low | 62 | Low | 61 Ų | 61 | 126.7 Ų | 126.7 | 43% | 0.427 | 67% | 0.666 | S | S | . | * | trans | -68 | 109.2 | 168.8 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | G216 N220 | G216-S218 PolarHBondContact O-N 3.41Å; S218-N220 PolarHBondContact O-N 3.48Å | ||
| 219 | T | 57.1 | Low | 60.6 | Low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 0.7 | -174.9 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | Y217 | Y217-T219 PolarHBondContact O-N 3.33Å; Y217-T219 VanDerWaalsContact O-N 3.13Å |
| 220 | N | 57.5 | Low | 59.4 | Low | 132 Ų | 132 | 124.3 Ų | 124.3 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 23.6 | -165.2 | -62.9 | -16 | 0 | 0 | 0 | 114.2 | S218 | S218-N220 PolarHBondContact O-N 3.48Š|
| 221 | H | 53.7 | Low | 58.4 | Low | 136 Ų | 136 | 123.7 Ų | 123.7 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | trans | -122 | 100.5 | 172.2 | -68.2 | -62 | 0 | 0 | 0 | 110.9 | A223 | H221-A223 PolarHBondContact O-N 2.82Š| ||
| 222 | I | 59.5 | Low | 57.6 | Low | 184 Ų | 184 | 123.1 Ų | 123.1 | 94% | 0.944 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -63 | -9.7 | 168.2 | -77.1 | 148.3 | 0 | 0 | 0 | 112.3 | ||
| 223 | A | 55.9 | Low | 57.1 | Low | 67 Ų | 67 | 128.2 Ų | 128.2 | 55% | 0.554 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -117.5 | 125.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H221 T225 | H221-A223 PolarHBondContact O-N 2.82Å; A223-T225 PolarHBondContact O-N 3.21Å |
| 224 | P | 60.8 | Low | 56.6 | Low | 95 Ų | 95 | 128.6 Ų | 128.6 | 62% | 0.617 | 69% | 0.693 | S | S | * | * | trans | -59.8 | 122.7 | 169.2 | -20.8 | 32 | 0 | 0 | 0 | 110.9 | S226 | P224-S226 PolarHBondContact O-N 2.93Š| ||
| 225 | T | 64.8 | Low | 56.8 | Low | 138 Ų | 138 | 125.3 Ų | 125.3 | 85% | 0.847 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -63.1 | -13 | -178.5 | -44.9 | 0 | 0 | 0 | 0 | 113.6 | A223 | A223-T225 PolarHBondContact O-N 3.21Š|
| 226 | S | 61.1 | Low | 57.1 | Low | 58 Ų | 58 | 126.7 Ų | 126.7 | 41% | 0.406 | 69% | 0.687 | S | S | . | * | trans | -156.2 | 110.9 | 168.2 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | P224 A228 V229 | P224-S226 PolarHBondContact O-N 2.93Å; S226-A228 PolarHBondContact O-N 3.43Å; S226-A228 PolarHBondContact OG-N 2.79Å; S226-V229 VanDerWaalsContact CB-CG2 3.42Å; S226-V229 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 227 | M | 59.5 | Low | 57.1 | Low | 146 Ų | 146 | 134.3 Ų | 134.3 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -14.6 | 171.7 | -70.7 | -176.8 | -96.2 | 0 | 0 | 112.2 | F231 | M227-F231 VanDerWaalsContact O-CD2 3.29Å; M227-F231 WeakPolarHBondContact O-CD2 3.49Å; M227-F231 WeakPolarHBondContact O-CE2 3.48Å |
| 228 | A | 61.1 | Low | 57.3 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -15.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S226 | S226-A228 PolarHBondContact O-N 3.43Å; S226-A228 PolarHBondContact OG-N 2.79Å |
| 229 | V | 57.5 | Low | 57 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -86.9 | -17.7 | -175.7 | -138.6 | 0 | 0 | 0 | 0 | 113.4 | S226 | S226-V229 VanDerWaalsContact CB-CG2 3.42Å; S226-V229 WeakPolarHBondContact OG-CG2 3.43Å |
| 230 | N | 57.3 | Low | 56.6 | Low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -85.5 | -10.3 | 177.5 | -78.4 | -9.2 | 0 | 0 | 0 | 113.2 | V232 | N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 3.28Å; N230-V232 VanDerWaalsContact O-N 3.09Å |
| 231 | F | 58 | Low | 56.4 | Low | 158 Ų | 158 | 129.3 Ų | 129.3 | 69% | 0.693 | 68% | 0.677 | S | S | * | * | trans | -83.6 | 83.3 | 166.4 | -57.7 | -69.7 | 0 | 0 | 0 | 108 | M227 Q233 | M227-F231 VanDerWaalsContact O-CD2 3.29Å; M227-F231 WeakPolarHBondContact O-CD2 3.49Å; M227-F231 WeakPolarHBondContact O-CE2 3.48Å; F231-Q233 PolarHBondContact O-N 2.94Å | ||
| 232 | V | 57.6 | Low | 56.2 | Low | 110 Ų | 110 | 126.4 Ų | 126.4 | 67% | 0.667 | 67% | 0.666 | S | S | * | * | trans | -54.1 | 97.6 | 154.2 | 172.5 | 0 | 0 | 0 | 0 | 105.9 | N230 H234 | N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 3.28Å; N230-V232 VanDerWaalsContact O-N 3.09Å; V232-H234 VanDerWaalsContact C-N 3.34Å; V232-H234 PolarHBondContact O-N 3.36Å; V232-H234 PolarHBondContact O-ND1 2.89Å | ||
| 233 | Q | 58.6 | Low | 55.9 | Low | 175 Ų | 175 | 120.8 Ų | 120.8 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | -57.1 | 106.6 | 164.9 | -87.1 | -170.6 | -22.9 | 0 | 0 | 105.5 | F231 S235 | F231-Q233 PolarHBondContact O-N 2.94Å; Q233-S235 PolarHBondContact O-N 3.31Å | ||
| 234 | H | 53.7 | Low | 55.8 | Low | 162 Ų | 162 | 123 Ų | 123 | 75% | 0.75 | 66% | 0.66 | S | S | * | * | trans | -57 | 108.4 | 174.6 | -75.7 | 75.5 | 0 | 0 | 0 | 106.8 | V232 R236 | V232-H234 VanDerWaalsContact C-N 3.34Å; V232-H234 PolarHBondContact O-N 3.36Å; V232-H234 PolarHBondContact O-ND1 2.89Å; H234-R236 HydrophobicContact CB-CB 4.39Å; H234-R236 PolarHBondContact O-N 3.41Å | ||
| 235 | S | 61.1 | Low | 55.5 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 57% | 0.573 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -68.2 | 23.8 | 175.9 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | Q233 W237 N238 | Q233-S235 PolarHBondContact O-N 3.31Å; S235-W237 PolarHBondContact O-N 3.5Å; S235-N238 PolarHBondContact O-N 3.35Å |
| 236 | R | 54.2 | Low | 54.9 | Low | 220 Ų | 220 | 121.1 Ų | 121.1 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -58.2 | -21.4 | -178.5 | -175.9 | 171.3 | 155.8 | 162.1 | -5.8 | 112 | H234 | H234-R236 HydrophobicContact CB-CB 4.39Å; H234-R236 PolarHBondContact O-N 3.41Å |
| 237 | W | 47.4 | Very low | 54.5 | Low | 208 Ų | 208 | 127.8 Ų | 127.8 | 79% | 0.788 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -93.3 | -14.1 | 175.7 | -170.9 | 72.5 | 0 | 0 | 0 | 114.9 | S235 S239 | S235-W237 PolarHBondContact O-N 3.5Å; W237-S239 PolarHBondContact O-N 2.96Å |
| 238 | N | 52.9 | Low | 54.3 | Low | 75 Ų | 75 | 122 Ų | 122 | 40% | 0.401 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -82.2 | 7.2 | 178.2 | -86 | -9.7 | 0 | 0 | 0 | 114.3 | S235 Y240 | S235-N238 PolarHBondContact O-N 3.35Å; N238-Y240 VanDerWaalsContact C-N 3.3Å; N238-Y240 PolarHBondContact O-N 3.39Å |
| 239 | S | 47.8 | Very low | 54.1 | Low | 89 Ų | 89 | 122.3 Ų | 122.3 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -76.6 | -9.9 | -177.2 | -61.6 | 0 | 0 | 0 | 0 | 114.7 | W237 | W237-S239 PolarHBondContact O-N 2.96Š|
| 240 | Y | 49.7 | Very low | 54.2 | Low | 198 Ų | 198 | 121.9 Ų | 121.9 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -94.7 | -7.2 | -176.6 | -55.6 | -72.2 | 0 | 0 | 0 | 114.7 | N238 | N238-Y240 VanDerWaalsContact C-N 3.3Å; N238-Y240 PolarHBondContact O-N 3.39Å |
| 241 | T | 51.7 | Low | 54.3 | Low | 86 Ų | 86 | 119.1 Ų | 119.1 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.1 | -12.6 | -176.5 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | G243 V244 | T241-G243 VanDerWaalsContact C-N 3.31Å; T241-G243 PolarHBondContact O-N 3.32Å; T241-V244 WeakPolarHBondContact O-CG2 3.37Å; T241-V244 PolarHBondContact O-N 3.05Å |
| 242 | N | 51.1 | Low | 54.3 | Low | 75 Ų | 75 | 114.1 Ų | 114.1 | 40% | 0.401 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.6 | -12.1 | -174.6 | -98.3 | 0.2 | 0 | 0 | 0 | 115.8 | V244 K246 | N242-V244 VanDerWaalsContact C-N 3.31Å; N242-V244 PolarHBondContact O-N 2.97Å; N242-K246 PolarHBondContact O-N 3.49Å |
| 243 | G | 53.2 | Low | 54.3 | Low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.8 | -31.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T241 | T241-G243 VanDerWaalsContact C-N 3.31Å; T241-G243 PolarHBondContact O-N 3.32Å |
| 244 | V | 53.2 | Low | 54.4 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -91.3 | -29.9 | 177.4 | -85.4 | 0 | 0 | 0 | 0 | 112.7 | T241 N242 A248 | T241-V244 WeakPolarHBondContact O-CG2 3.37Å; T241-V244 PolarHBondContact O-N 3.05Å; N242-V244 VanDerWaalsContact C-N 3.31Å; N242-V244 PolarHBondContact O-N 2.97Å; V244-A248 PolarHBondContact O-N 3.04Å; V244-A248 VanDerWaalsContact O-N 3.13Å |
| 245 | S | 53.6 | Low | 54.6 | Low | 49 Ų | 49 | 110.4 Ų | 110.4 | 34% | 0.343 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 178.8 | -161 | 0 | 0 | 0 | 0 | 112.1 | R247 A248 D249 | S245-R247 PolarHBondContact O-N 3.39Å; S245-R247 VanDerWaalsContact O-N 3.16Å; S245-A248 CarbonylContact O-C 3.58Å; S245-A248 WeakPolarHBondContact O-CA 3.41Å; S245-A248 WeakPolarHBondContact O-CB 3.29Å; S245-A248 PolarHBondContact O-N 3.38Å; S245-D249 PolarHBondContact O-N 3.28Å; S245-D249 VanDerWaalsContact O-OD2 3.07Å; S245-D249 PolarHBondContact OG-OD2 2.96Å |
| 246 | K | 52.6 | Low | 54.5 | Low | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.9 | -31.1 | -179 | -70.9 | -172.2 | 177.5 | -174.6 | 0 | 113.5 | N242 L250 | N242-K246 PolarHBondContact O-N 3.49Å; K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.5Å |
| 247 | R | 52.2 | Low | 54.8 | Low | 197 Ų | 197 | 106.2 Ų | 106.2 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -79.3 | -30.3 | 174.4 | -70 | -153.3 | 167.2 | -163.5 | -2.2 | 112.7 | S245 N251 | S245-R247 PolarHBondContact O-N 3.39Å; S245-R247 VanDerWaalsContact O-N 3.16Å; R247-N251 VanDerWaalsContact O-CG 3.23Å; R247-N251 PolarHBondContact O-N 2.65Å; R247-N251 PolarHBondContact O-ND2 3.31Å; R247-N251 VanDerWaalsContact O-ND2 3.09Å |
| 248 | A | 55.8 | Low | 55.3 | Low | 26 Ų | 26 | 102.3 Ų | 102.3 | 22% | 0.215 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -71.5 | -35.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V244 S245 N251 N252 | V244-A248 PolarHBondContact O-N 3.04Å; V244-A248 VanDerWaalsContact O-N 3.13Å; S245-A248 CarbonylContact O-C 3.58Å; S245-A248 WeakPolarHBondContact O-CA 3.41Å; S245-A248 WeakPolarHBondContact O-CB 3.29Å; S245-A248 PolarHBondContact O-N 3.38Å; A248-N251 PolarHBondContact O-N 3.48Å; A248-N252 PolarHBondContact O-N 3.2Å; A248-N252 PolarHBondContact O-ND2 3.46Å |
| 249 | D | 56 | Low | 55.5 | Low | 80 Ų | 80 | 103.3 Ų | 103.3 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 178.6 | -63.4 | -30.1 | 0 | 0 | 0 | 111.4 | S245 N251 N252 E253 | S245-D249 PolarHBondContact O-N 3.28Å; S245-D249 VanDerWaalsContact O-OD2 3.07Å; S245-D249 PolarHBondContact OG-OD2 2.96Å; D249-N251 VanDerWaalsContact C-N 3.27Å; D249-N251 PolarHBondContact O-N 3.34Å; D249-N252 PolarHBondContact O-N 2.72Å; D249-E253 PolarHBondContact O-N 3.32Å |
| 250 | L | 60.1 | Low | 56 | Low | 101 Ų | 101 | 101.5 Ų | 101.5 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -31.3 | 174 | -69 | 168.5 | 0 | 0 | 0 | 113.2 | K246 R254 | K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.5Å; L250-R254 WeakPolarHBondContact O-CG 3.43Å; L250-R254 PolarHBondContact O-N 3.44Å |
| 251 | N | 59.7 | Low | 56.4 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.7 | -35.1 | 176.8 | -72.4 | -25 | 0 | 0 | 0 | 112 | R247 A248 D249 R254 E255 | R247-N251 VanDerWaalsContact O-CG 3.23Å; R247-N251 PolarHBondContact O-N 2.65Å; R247-N251 PolarHBondContact O-ND2 3.31Å; R247-N251 VanDerWaalsContact O-ND2 3.09Å; A248-N251 PolarHBondContact O-N 3.48Å; D249-N251 VanDerWaalsContact C-N 3.27Å; D249-N251 PolarHBondContact O-N 3.34Å; N251-R254 PolarHBondContact O-N 3.04Å; N251-E255 WeakPolarHBondContact O-CG 3.23Å; N251-E255 PolarHBondContact O-N 3.35Å |
| 252 | N | 57.2 | Low | 56.7 | Low | 54 Ų | 54 | 98.3 Ų | 98.3 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 175.1 | -81.1 | -29.5 | 0 | 0 | 0 | 112 | A248 D249 R254 E255 L256 | A248-N252 PolarHBondContact O-N 3.2Å; A248-N252 PolarHBondContact O-ND2 3.46Å; D249-N252 PolarHBondContact O-N 2.72Å; N252-R254 VanDerWaalsContact C-N 3.28Å; N252-R254 PolarHBondContact O-N 3Å; N252-E255 PolarHBondContact O-N 3.03Å; N252-L256 WeakPolarHBondContact O-CB 3.43Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.42Å |
| 253 | E | 59.1 | Low | 56.9 | Low | 127 Ų | 127 | 100.1 Ų | 100.1 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -37.3 | 174.4 | -71 | -166.9 | 164.4 | 0 | 0 | 111.7 | D249 N257 | D249-E253 PolarHBondContact O-N 3.32Å; E253-N257 WeakPolarHBondContact O-CB 3.44Å; E253-N257 PolarHBondContact O-N 3.28Å; E253-N257 PolarHBondContact O-ND2 3.43Å |
| 254 | R | 59.9 | Low | 56.9 | Low | 163 Ų | 163 | 102.2 Ų | 102.2 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.6 | -43.7 | 173.3 | -73.2 | 175.7 | -172.2 | 179.8 | 0.8 | 112.7 | L250 N251 N252 N257 H258 | L250-R254 WeakPolarHBondContact O-CG 3.43Å; L250-R254 PolarHBondContact O-N 3.44Å; N251-R254 PolarHBondContact O-N 3.04Å; N252-R254 VanDerWaalsContact C-N 3.28Å; N252-R254 PolarHBondContact O-N 3Å; R254-N257 PolarHBondContact O-N 2.99Å; R254-H258 WeakPolarHBondContact O-CB 3.41Å; R254-H258 PolarHBondContact O-CD2 3.18Å; R254-H258 VanDerWaalsContact O-CD2 3.23Å; R254-H258 PolarHBondContact O-N 3.18Å |
| 255 | E | 58.2 | Low | 56.8 | Low | 78 Ų | 78 | 101.4 Ų | 101.4 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178 | -74.5 | -168 | 179.7 | 0 | 0 | 111.6 | N251 N252 H258 I259 R310 | N251-E255 WeakPolarHBondContact O-CG 3.23Å; N251-E255 PolarHBondContact O-N 3.35Å; N252-E255 PolarHBondContact O-N 3.03Å; E255-H258 PolarHBondContact O-N 3.48Å; E255-I259 WeakPolarHBondContact O-CD1 2.89Å; E255-I259 VanDerWaalsContact O-CG1 3.23Å; E255-I259 WeakPolarHBondContact O-CG1 3.31Å; E255-I259 PolarHBondContact O-N 2.78Å; E255-R310 IonicContact OE1-CZ 2.75Å; E255-R310 VanDerWaalsContact OE1-CZ 3.32Å; E255-R310 IonicContact OE1-NH1 3.58Å; E255-R310 PolarHBondContact OE1-NH1 2.87Å; E255-R310 IonicContact OE1-NH2 2.82Å; E255-R310 PolarHBondContact OE1-NH2 2.78Å |
| 256 | L | 58.1 | Low | 56.5 | Low | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 175.3 | -72.2 | 173.9 | 0 | 0 | 0 | 112.5 | N252 I259 A260 | N252-L256 WeakPolarHBondContact O-CB 3.43Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.42Å; L256-I259 PolarHBondContact O-N 2.97Å; L256-A260 WeakPolarHBondContact O-CB 3.04Å; L256-A260 PolarHBondContact O-N 3.44Å |
| 257 | N | 60.9 | Low | 56.1 | Low | 99 Ų | 99 | 109 Ų | 109 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67 | -35.3 | 175 | -73.2 | -31.1 | 0 | 0 | 0 | 112.1 | E253 R254 N261 | E253-N257 WeakPolarHBondContact O-CB 3.44Å; E253-N257 PolarHBondContact O-N 3.28Å; E253-N257 PolarHBondContact O-ND2 3.43Å; R254-N257 PolarHBondContact O-N 2.99Å; N257-N261 WeakPolarHBondContact O-CB 3.32Å; N257-N261 PolarHBondContact O-N 3.34Å; N257-N261 VanDerWaalsContact O-N 3.1Å; N257-N261 PolarHBondContact O-ND2 3.05Å |
| 258 | H | 58 | Low | 55.7 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.9 | -38.1 | 173.2 | -87.9 | -65 | 0 | 0 | 0 | 113 | R254 E255 N262 | R254-H258 WeakPolarHBondContact O-CB 3.41Å; R254-H258 PolarHBondContact O-CD2 3.18Å; R254-H258 VanDerWaalsContact O-CD2 3.23Å; R254-H258 PolarHBondContact O-N 3.18Å; E255-H258 PolarHBondContact O-N 3.48Å; H258-N262 WeakPolarHBondContact O-CB 3.12Å; H258-N262 PolarHBondContact O-N 3.46Å; H258-N262 PolarHBondContact O-ND2 2.97Å |
| 259 | I | 56.8 | Low | 55 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.7 | -39.7 | 176.9 | -65.2 | 161.2 | 0 | 0 | 0 | 110.7 | E255 L256 N261 N262 N263 | E255-I259 WeakPolarHBondContact O-CD1 2.89Å; E255-I259 VanDerWaalsContact O-CG1 3.23Å; E255-I259 WeakPolarHBondContact O-CG1 3.31Å; E255-I259 PolarHBondContact O-N 2.78Å; L256-I259 PolarHBondContact O-N 2.97Å; I259-N261 PolarHBondContact O-N 3.13Å; I259-N262 PolarHBondContact O-N 2.97Å; I259-N263 PolarHBondContact O-N 3.48Å; I259-N263 PolarHBondContact O-ND2 3.19Å |
| 260 | A | 59 | Low | 54.5 | Low | 50 Ų | 50 | 115.3 Ų | 115.3 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.4 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L256 T264 | L256-A260 WeakPolarHBondContact O-CB 3.04Å; L256-A260 PolarHBondContact O-N 3.44Å; A260-T264 WeakPolarHBondContact O-CG2 3.22Å |
| 261 | N | 58.6 | Low | 53.8 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 57% | 0.567 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.9 | -22.9 | -178.6 | -66.8 | -12.5 | 0 | 0 | 0 | 113.7 | N257 I259 T264 | N257-N261 WeakPolarHBondContact O-CB 3.32Å; N257-N261 PolarHBondContact O-N 3.34Å; N257-N261 VanDerWaalsContact O-N 3.1Å; N257-N261 PolarHBondContact O-ND2 3.05Å; I259-N261 PolarHBondContact O-N 3.13Å; N261-T264 PolarHBondContact O-OG1 3.2Å |
| 262 | N | 57.1 | Low | 53 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -86.2 | -15 | 178.1 | -71.2 | -18.2 | 0 | 0 | 0 | 113.4 | H258 I259 | H258-N262 WeakPolarHBondContact O-CB 3.12Å; H258-N262 PolarHBondContact O-N 3.46Å; H258-N262 PolarHBondContact O-ND2 2.97Å; I259-N262 PolarHBondContact O-N 2.97Å |
| 263 | N | 56.7 | Low | 52.4 | Low | 113 Ų | 113 | 127 Ų | 127 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -93.5 | -4.4 | 178.3 | -71.3 | -20.5 | 0 | 0 | 0 | 113.3 | I259 | I259-N263 PolarHBondContact O-N 3.48Å; I259-N263 PolarHBondContact O-ND2 3.19Å |
| 264 | T | 53.2 | Low | 51.6 | Low | 110 Ų | 110 | 126.1 Ų | 126.1 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -98.7 | -4.6 | -178.6 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | A260 N261 | A260-T264 WeakPolarHBondContact O-CG2 3.22Å; N261-T264 PolarHBondContact O-OG1 3.2Å |
| 265 | S | 49.2 | Very low | 50.7 | Low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -102.9 | 10.6 | -178.8 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 266 | K | 48.4 | Very low | 50 | Low | 188 Ų | 188 | 126.5 Ų | 126.5 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -126.4 | 20.1 | -177 | -146.1 | 174.6 | -175.5 | 179.8 | 0 | 115.5 | ||
| 267 | L | 42.9 | Very low | 49.5 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 86% | 0.859 | 69% | 0.689 | S | S | * | * | trans | -116 | 74.6 | 173.5 | -85.7 | 151.1 | 0 | 0 | 0 | 109.1 | ||||
| 268 | E | 45.6 | Very low | 48.9 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | -81.1 | 127.8 | 165.2 | -77.5 | -172 | 149.5 | 0 | 0 | 110.2 | ||||
| 269 | S | 41 | Very low | 48.5 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | 52.7 | 88 | 148.1 | 66.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 270 | T | 44.6 | Very low | 47.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | trans | -138.5 | 131.3 | 131.3 | 52 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 271 | K | 46.3 | Very low | 47.3 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | -73.3 | 150.4 | -172.3 | -63.8 | 165.9 | 175.5 | 171 | 0 | 110.9 | ||||
| 272 | N | 41.9 | Very low | 46.9 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | 73.4 | 104.2 | 156.4 | -46 | -32 | 0 | 0 | 0 | 116.4 | ||||
| 273 | D | 45.5 | Very low | 46.6 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | -173.7 | 139.3 | 127.5 | -86.7 | -26.6 | 0 | 0 | 0 | 110.9 | |||||
| 274 | P | 42.7 | Very low | 46.2 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -87.4 | 133 | -177.8 | 33.1 | -29.5 | 0 | 0 | 0 | 112 | ||||
| 275 | M | 41 | Very low | 46.2 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 84% | 0.837 | 72% | 0.722 | S | S | * | * | trans | 68.3 | 143.4 | 141.2 | -59 | -72.9 | -73.6 | 0 | 0 | 118.5 | ||||
| 276 | S | 42.5 | Very low | 46.6 | Very low | 79 Ų | 79 | 145 Ų | 145 | 55% | 0.552 | 72% | 0.722 | S | S | * | * | cis | -177.5 | 93.2 | -22.2 | 50.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 277 | S | 48.1 | Very low | 46.8 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -128.5 | -27.2 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 112 | R279 | S277-R279 PolarHBondContact O-N 2.89Š|
| 278 | E | 47.8 | Very low | 47.2 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -79.9 | -15.2 | -179.6 | -67.8 | -175.9 | 152.4 | 0 | 0 | 115 | R282 | E278-R282 WeakPolarHBondContact O-CG 3.47Å; E278-R282 PolarHBondContact O-NE 3.34Å |
| 279 | R | 50.2 | Low | 47.6 | Very low | 206 Ų | 206 | 134 Ų | 134 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81 | -25.6 | 178 | -82.9 | -176 | 176.2 | -174.3 | -0.4 | 113.1 | S277 | S277-R279 PolarHBondContact O-N 2.89Å |
| 280 | E | 42.8 | Very low | 48.1 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.5 | -40.8 | 178.5 | -108.1 | -173 | 155.6 | 0 | 0 | 112.4 | R282 R283 L284 | E280-R282 PolarHBondContact O-N 2.95Å; E280-R283 PolarHBondContact O-N 3.15Å; E280-L284 PolarHBondContact O-N 3.1Å |
| 281 | N | 47.1 | Very low | 48.3 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -58 | -39.6 | 175.1 | -69.3 | -26.3 | 0 | 0 | 0 | 111.6 | R283 L284 | N281-R283 VanDerWaalsContact C-N 3.3Å; N281-R283 PolarHBondContact O-N 3.36Å; N281-L284 PolarHBondContact O-N 2.99Å |
| 282 | R | 49.9 | Very low | 48.5 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.5 | -26 | 176.6 | -67.9 | -174.6 | -139.3 | -167.2 | 2.7 | 113 | E278 E280 K286 | E278-R282 WeakPolarHBondContact O-CG 3.47Å; E278-R282 PolarHBondContact O-NE 3.34Å; E280-R282 PolarHBondContact O-N 2.95Å; R282-K286 WeakPolarHBondContact O-CD 3.5Å; R282-K286 VanDerWaalsContact O-CE 3.31Å; R282-K286 WeakPolarHBondContact O-CE 3.5Å; R282-K286 PolarHBondContact O-NZ 2.88Å |
| 283 | R | 50.4 | Low | 49 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 78% | 0.777 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.7 | -31.6 | 179.9 | -78.2 | -178.3 | 171.3 | 169.3 | -2.5 | 112.3 | E280 N281 D285 K286 | E280-R283 PolarHBondContact O-N 3.15Å; N281-R283 VanDerWaalsContact C-N 3.3Å; N281-R283 PolarHBondContact O-N 3.36Å; R283-D285 VanDerWaalsContact C-N 3.35Å; R283-K286 PolarHBondContact O-N 3.43Å |
| 284 | L | 49.7 | Very low | 49.5 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.5 | -33.1 | 178.4 | -71.2 | 163.3 | 0 | 0 | 0 | 112.4 | E280 N281 K286 S287 | E280-L284 PolarHBondContact O-N 3.1Å; N281-L284 PolarHBondContact O-N 2.99Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-K286 PolarHBondContact O-N 3.04Å; L284-S287 PolarHBondContact O-N 3.3Å; L284-S287 PolarHBondContact O-OG 3.25Å |
| 285 | D | 52.6 | Low | 50.5 | Low | 114 Ų | 114 | 126.6 Ų | 126.6 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -66.3 | -26.4 | 178.7 | -80.3 | -26.4 | 0 | 0 | 0 | 114.6 | R283 S287 | R283-D285 VanDerWaalsContact C-N 3.35Å; D285-S287 PolarHBondContact O-N 2.91Å |
| 286 | K | 56.8 | Low | 52.1 | Low | 158 Ų | 158 | 122.2 Ų | 122.2 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -73.7 | -12.2 | 177.4 | -74.3 | 83.9 | 174 | -174.4 | 0 | 113.3 | R282 R283 L284 | R282-K286 WeakPolarHBondContact O-CD 3.5Å; R282-K286 VanDerWaalsContact O-CE 3.31Å; R282-K286 WeakPolarHBondContact O-CE 3.5Å; R282-K286 PolarHBondContact O-NZ 2.88Å; R283-K286 PolarHBondContact O-N 3.43Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-K286 PolarHBondContact O-N 3.04Å |
| 287 | S | 53.2 | Low | 53.6 | Low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -94.1 | 1.5 | -177.4 | 73 | 0 | 0 | 0 | 0 | 113.8 | L284 D285 P289 | L284-S287 PolarHBondContact O-N 3.3Å; L284-S287 PolarHBondContact O-OG 3.25Å; D285-S287 PolarHBondContact O-N 2.91Å; S287-P289 VanDerWaalsContact C-CD 3.47Å; S287-P289 VanDerWaalsContact O-CD 3.31Å; S287-P289 WeakPolarHBondContact O-CD 3.4Å |
| 288 | R | 51.4 | Low | 55.1 | Low | 130 Ų | 130 | 124.7 Ų | 124.7 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | trans | -120.8 | 71 | -174.4 | -69.8 | 179.9 | 111.1 | -147.9 | -4.6 | 111.8 | H290 I291 | R288-H290 PolarHBondContact O-N 3.42Å; R288-I291 HydrophobicContact CB-CD1 3.86Å; R288-I291 HydrophobicContact CG-CD1 3.97Å; R288-I291 VanDerWaalsContact CZ-CD1 3.45Å; R288-I291 VanDerWaalsContact NE-CD1 3.34Å | ||
| 289 | P | 54.9 | Low | 56.3 | Low | 87 Ų | 87 | 122.1 Ų | 122.1 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -1.7 | -178.8 | 27.7 | -34 | 0 | 0 | 0 | 114.6 | S287 | S287-P289 VanDerWaalsContact C-CD 3.47Å; S287-P289 VanDerWaalsContact O-CD 3.31Å; S287-P289 WeakPolarHBondContact O-CD 3.4Å |
| 290 | H | 51.4 | Low | 57.6 | Low | 147 Ų | 147 | 115.9 Ų | 115.9 | 68% | 0.681 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -11.8 | -172.5 | -58.4 | -50 | 0 | 0 | 0 | 115.3 | R288 | R288-H290 PolarHBondContact O-N 3.42Š|
| 291 | I | 49.2 | Very low | 59.4 | Low | 84 Ų | 84 | 111.8 Ų | 111.8 | 43% | 0.431 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -83.3 | -24 | 179.1 | -75.9 | 95.4 | 0 | 0 | 0 | 112.2 | R288 N293 | R288-I291 HydrophobicContact CB-CD1 3.86Å; R288-I291 HydrophobicContact CG-CD1 3.97Å; R288-I291 VanDerWaalsContact CZ-CD1 3.45Å; R288-I291 VanDerWaalsContact NE-CD1 3.34Å; I291-N293 PolarHBondContact O-N 3.04Å |
| 292 | C | 48.5 | Very low | 61.1 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 67% | 0.669 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -77.6 | -5.5 | 178.4 | -49.3 | 0 | 0 | 0 | 0 | 114 | ||
| 293 | N | 54.3 | Low | 62.5 | Low | 114 Ų | 114 | 106.8 Ų | 106.8 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -97.1 | -1.3 | -174.2 | -67.5 | -12.7 | 0 | 0 | 0 | 113.5 | I291 K295 | I291-N293 PolarHBondContact O-N 3.04Å; N293-K295 PolarHBondContact O-N 3.44Å |
| 294 | E | 54.2 | Low | 64 | Low | 177 Ų | 177 | 105.9 Ų | 105.9 | 83% | 0.827 | 55% | 0.553 | S | S | * | * | trans | -83.8 | 71.4 | 176.8 | -149 | 159.9 | -147 | 0 | 0 | 109.2 | ||||
| 295 | K | 65.1 | Low | 65.6 | Low | 73 Ų | 73 | 106.3 Ų | 106.3 | 32% | 0.317 | 55% | 0.55 | S | S | . | * | trans | -78.4 | 124.4 | 172.3 | -66.8 | -172.3 | -170.3 | -170.5 | 0 | 108 | N293 N299 I300 | N293-K295 PolarHBondContact O-N 3.44Å; K295-N299 HydrophobicContact CB-CB 4.14Å; K295-I300 HydrophobicContact CB-CG1 3.87Å | ||
| 296 | S | 74.2 | Confident | 67.1 | Low | 78 Ų | 78 | 107.8 Ų | 107.8 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | trans | -46.4 | 147.7 | 164.6 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | D298 N299 I300 | S296-D298 WeakPolarHBondContact CB-OD1 3.4Å; S296-D298 PolarHBondContact O-N 2.92Å; S296-D298 VanDerWaalsContact O-N 3.13Å; S296-N299 WeakPolarHBondContact O-CA 3.32Å; S296-N299 WeakPolarHBondContact O-CB 3.41Å; S296-N299 PolarHBondContact O-N 3.23Å; S296-I300 PolarHBondContact O-N 2.8Å; S296-I300 VanDerWaalsContact O-N 3.14Å | ||
| 297 | T | 74.5 | Confident | 68.4 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 78% | 0.779 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.8 | -32.3 | -174.7 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | A301 | T297-A301 PolarHBondContact O-N 2.88Å; T297-A301 VanDerWaalsContact O-N 3.1Å |
| 298 | D | 78.6 | Confident | 69.7 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 173.3 | 64.9 | -27.9 | 0 | 0 | 0 | 112.9 | S296 I300 A301 L302 | S296-D298 WeakPolarHBondContact CB-OD1 3.4Å; S296-D298 PolarHBondContact O-N 2.92Å; S296-D298 VanDerWaalsContact O-N 3.13Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 3.09Å; D298-A301 CarbonylContact O-C 3.6Å; D298-A301 WeakPolarHBondContact O-CB 3.17Å; D298-A301 PolarHBondContact O-N 3.21Å; D298-A301 VanDerWaalsContact O-N 3.13Å; D298-L302 WeakPolarHBondContact O-CB 3.29Å; D298-L302 PolarHBondContact O-N 3.13Å |
| 299 | N | 74.5 | Confident | 71.1 | Confident | 80 Ų | 80 | 103.7 Ų | 103.7 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -32.7 | 178.9 | -155.7 | -6 | 0 | 0 | 0 | 110.9 | K295 S296 Q303 | K295-N299 HydrophobicContact CB-CB 4.14Å; S296-N299 WeakPolarHBondContact O-CA 3.32Å; S296-N299 WeakPolarHBondContact O-CB 3.41Å; S296-N299 PolarHBondContact O-N 3.23Å; N299-Q303 WeakPolarHBondContact O-CB 3.31Å; N299-Q303 PolarHBondContact O-N 3.15Å |
| 300 | I | 76.3 | Confident | 72.2 | Confident | 75 Ų | 75 | 106.4 Ų | 106.4 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 168.1 | -62 | 172.6 | 0 | 0 | 0 | 110.8 | K295 S296 D298 Q303 R304 | K295-I300 HydrophobicContact CB-CG1 3.87Å; S296-I300 PolarHBondContact O-N 2.8Å; S296-I300 VanDerWaalsContact O-N 3.14Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 3.09Å; I300-Q303 PolarHBondContact O-N 3.22Å; I300-R304 WeakPolarHBondContact O-CG 3.37Å; I300-R304 PolarHBondContact O-N 3.07Å |
| 301 | A | 80.3 | Confident | 73.3 | Confident | 56 Ų | 56 | 104.3 Ų | 104.3 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T297 D298 Q303 R304 F305 | T297-A301 PolarHBondContact O-N 2.88Å; T297-A301 VanDerWaalsContact O-N 3.1Å; D298-A301 CarbonylContact O-C 3.6Å; D298-A301 WeakPolarHBondContact O-CB 3.17Å; D298-A301 PolarHBondContact O-N 3.21Å; D298-A301 VanDerWaalsContact O-N 3.13Å; A301-Q303 PolarHBondContact O-N 3.31Å; A301-R304 PolarHBondContact O-N 3.23Å; A301-F305 PolarHBondContact O-N 3.37Å |
| 302 | L | 83.7 | Confident | 74.5 | Confident | 97 Ų | 97 | 106.4 Ų | 106.4 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 174.2 | -84.7 | 155.8 | 0 | 0 | 0 | 111.8 | D298 F305 K306 | D298-L302 WeakPolarHBondContact O-CB 3.29Å; D298-L302 PolarHBondContact O-N 3.13Å; L302-F305 PolarHBondContact O-N 3.37Å; L302-K306 WeakPolarHBondContact O-CG 3.45Å; L302-K306 PolarHBondContact O-N 2.85Å |
| 303 | Q | 79.2 | Confident | 75.5 | Confident | 51 Ų | 51 | 112.3 Ų | 112.3 | 24% | 0.238 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 177.4 | -168.7 | 171.7 | 4.5 | 0 | 0 | 111.9 | N299 I300 A301 F305 K306 N307 | N299-Q303 WeakPolarHBondContact O-CB 3.31Å; N299-Q303 PolarHBondContact O-N 3.15Å; I300-Q303 PolarHBondContact O-N 3.22Å; A301-Q303 PolarHBondContact O-N 3.31Å; Q303-F305 VanDerWaalsContact C-N 3.35Å; Q303-F305 PolarHBondContact O-N 3Å; Q303-K306 PolarHBondContact O-N 2.96Å; Q303-N307 WeakPolarHBondContact O-CB 3.33Å; Q303-N307 VanDerWaalsContact O-CG 3.29Å; Q303-N307 PolarHBondContact O-N 3.38Å |
| 304 | R | 82 | Confident | 76 | Confident | 186 Ų | 186 | 117.7 Ų | 117.7 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 173.1 | -73.7 | 179.1 | 178.5 | -168 | 0.5 | 111.7 | I300 A301 N307 Y308 | I300-R304 WeakPolarHBondContact O-CG 3.37Å; I300-R304 PolarHBondContact O-N 3.07Å; A301-R304 PolarHBondContact O-N 3.23Å; R304-N307 PolarHBondContact O-N 3.09Å; R304-Y308 WeakPolarHBondContact O-CB 3.46Å; R304-Y308 PolarHBondContact O-N 3.43Å |
| 305 | F | 82.9 | Confident | 75.9 | Confident | 121 Ų | 121 | 122.7 Ų | 122.7 | 53% | 0.531 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.6 | -45.7 | 176.6 | 177.7 | -103.7 | 0 | 0 | 0 | 112.1 | A301 L302 Q303 N307 Y308 M309 | A301-F305 PolarHBondContact O-N 3.37Å; L302-F305 PolarHBondContact O-N 3.37Å; Q303-F305 VanDerWaalsContact C-N 3.35Å; Q303-F305 PolarHBondContact O-N 3Å; F305-N307 VanDerWaalsContact C-N 3.33Å; F305-N307 PolarHBondContact O-N 3.29Å; F305-Y308 PolarHBondContact O-N 3.32Å; F305-M309 HydrophobicContact CD1-CG 4.31Å; F305-M309 HydrophobicContact CD2-CG 4.31Å; F305-M309 HydrophobicContact CE1-CG 3.9Å; F305-M309 HydrophobicContact CE2-CG 3.9Å; F305-M309 HydrophobicContact CE2-SD 4.13Å; F305-M309 HydrophobicContact CZ-CE 4.22Å; F305-M309 HydrophobicContact CZ-CG 3.69Å; F305-M309 HydrophobicContact CZ-SD 4.03Å; F305-M309 VanDerWaalsContact O-CG 3.29Å; F305-M309 WeakPolarHBondContact O-CG 3.19Å; F305-M309 PolarHBondContact O-N 3.34Å |
| 306 | K | 84.4 | Confident | 76.4 | Confident | 144 Ų | 144 | 125.2 Ų | 125.2 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -39.8 | 177.3 | -74 | 179.9 | 81.7 | 174.1 | 0 | 112.2 | L302 Q303 M309 R310 | L302-K306 WeakPolarHBondContact O-CG 3.45Å; L302-K306 PolarHBondContact O-N 2.85Å; Q303-K306 PolarHBondContact O-N 2.96Å; K306-M309 PolarHBondContact O-N 3.13Å; K306-R310 PolarHBondContact O-N 2.94Å |
| 307 | N | 83.3 | Confident | 76.6 | Confident | 68 Ų | 68 | 127.6 Ų | 127.6 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.8 | -46.2 | 176.2 | -71.4 | -8 | 0 | 0 | 0 | 111.4 | Q303 R304 F305 M309 R310 D311 | Q303-N307 WeakPolarHBondContact O-CB 3.33Å; Q303-N307 VanDerWaalsContact O-CG 3.29Å; Q303-N307 PolarHBondContact O-N 3.38Å; R304-N307 PolarHBondContact O-N 3.09Å; F305-N307 VanDerWaalsContact C-N 3.33Å; F305-N307 PolarHBondContact O-N 3.29Å; N307-M309 VanDerWaalsContact C-N 3.3Å; N307-M309 PolarHBondContact O-N 3.28Å; N307-R310 PolarHBondContact O-N 3.05Å; N307-R310 VanDerWaalsContact O-N 3.13Å; N307-D311 PolarHBondContact O-N 3.43Å |
| 308 | Y | 81.3 | Confident | 76.7 | Confident | 131 Ų | 131 | 127.7 Ų | 127.7 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.4 | -41.9 | 175.1 | 176.7 | -99.8 | 0 | 0 | 0 | 112.4 | R304 F305 D311 K312 | R304-Y308 WeakPolarHBondContact O-CB 3.46Å; R304-Y308 PolarHBondContact O-N 3.43Å; F305-Y308 PolarHBondContact O-N 3.32Å; Y308-D311 PolarHBondContact O-N 3.35Å; Y308-K312 HydrophobicContact CE1-CD 3.94Å; Y308-K312 PolarHBondContact O-N 3.32Å; Y308-K312 VanDerWaalsContact O-N 3.07Å; Y308-K312 WeakPolarHBondContact OH-CE 3.37Å; Y308-K312 PolarHBondContact OH-NZ 2.9Å |
| 309 | M | 80.8 | Confident | 76.5 | Confident | 87 Ų | 87 | 129.6 Ų | 129.6 | 43% | 0.429 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.4 | -32.3 | 177.3 | -67.3 | -65.1 | -84 | 0 | 0 | 113.1 | F305 K306 N307 R313 | F305-M309 HydrophobicContact CD1-CG 4.31Å; F305-M309 HydrophobicContact CD2-CG 4.31Å; F305-M309 HydrophobicContact CE1-CG 3.9Å; F305-M309 HydrophobicContact CE2-CG 3.9Å; F305-M309 HydrophobicContact CE2-SD 4.13Å; F305-M309 HydrophobicContact CZ-CE 4.22Å; F305-M309 HydrophobicContact CZ-CG 3.69Å; F305-M309 HydrophobicContact CZ-SD 4.03Å; F305-M309 VanDerWaalsContact O-CG 3.29Å; F305-M309 WeakPolarHBondContact O-CG 3.19Å; F305-M309 PolarHBondContact O-N 3.34Å; K306-M309 PolarHBondContact O-N 3.13Å; N307-M309 VanDerWaalsContact C-N 3.3Å; N307-M309 PolarHBondContact O-N 3.28Å; M309-R313 PolarHBondContact O-N 3.29Å |
| 310 | R | 77.9 | Confident | 76.7 | Confident | 145 Ų | 145 | 132.7 Ų | 132.7 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.6 | -42.3 | 173.2 | -99.1 | -179.9 | 167.5 | 167.3 | -6.2 | 111.4 | E255 K306 N307 R313 | E255-R310 IonicContact OE1-CZ 2.75Å; E255-R310 VanDerWaalsContact OE1-CZ 3.32Å; E255-R310 IonicContact OE1-NH1 3.58Å; E255-R310 PolarHBondContact OE1-NH1 2.87Å; E255-R310 IonicContact OE1-NH2 2.82Å; E255-R310 PolarHBondContact OE1-NH2 2.78Å; K306-R310 PolarHBondContact O-N 2.94Å; N307-R310 PolarHBondContact O-N 3.05Å; N307-R310 VanDerWaalsContact O-N 3.13Å; R310-R313 PolarHBondContact O-N 3.16Å |
| 311 | D | 75 | Confident | 76.7 | Confident | 103 Ų | 103 | 136.5 Ų | 136.5 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.5 | -33.2 | 179.8 | -71 | -21.6 | 0 | 0 | 0 | 112.3 | N307 Y308 R313 R314 R315 | N307-D311 PolarHBondContact O-N 3.43Å; Y308-D311 PolarHBondContact O-N 3.35Å; D311-R313 PolarHBondContact O-N 3.47Å; D311-R314 PolarHBondContact O-N 3.49Å; D311-R314 VanDerWaalsContact O-N 3.15Å; D311-R315 PolarHBondContact O-N 3.38Å |
| 312 | K | 74.5 | Confident | 76.4 | Confident | 127 Ų | 127 | 142.3 Ų | 142.3 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -20.8 | 171.6 | -109.2 | -173.3 | 174.1 | 178 | 0 | 114.5 | Y308 | Y308-K312 HydrophobicContact CE1-CD 3.94Å; Y308-K312 PolarHBondContact O-N 3.32Å; Y308-K312 VanDerWaalsContact O-N 3.07Å; Y308-K312 WeakPolarHBondContact OH-CE 3.37Å; Y308-K312 PolarHBondContact OH-NZ 2.9Å |
| 313 | R | 68.9 | Low | 75.9 | Confident | 224 Ų | 224 | 145.8 Ų | 145.8 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -9.8 | 175.2 | -74.9 | -177.3 | 175.6 | 179.1 | -1.1 | 113.2 | M309 R310 D311 | M309-R313 PolarHBondContact O-N 3.29Å; R310-R313 PolarHBondContact O-N 3.16Å; D311-R313 PolarHBondContact O-N 3.47Å |
| 314 | R | 63.5 | Low | 75.6 | Confident | 226 Ų | 226 | 153.7 Ų | 153.7 | 85% | 0.853 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -8.9 | 179.7 | -74.6 | -169.2 | 165.9 | -158.5 | -3.5 | 113.6 | D311 | D311-R314 PolarHBondContact O-N 3.49Å; D311-R314 VanDerWaalsContact O-N 3.15Å |
| 315 | R | 52.9 | Low | 75 | Confident | 282 Ų | 282 | 150.7 Ų | 150.7 | 100% | 1.064 | 63% | 0.625 | S | S | * | * | trans | -101.2 | 0 | 166.7 | -69.9 | -174.6 | 179.9 | 175.8 | 0.1 | 108.9 | D311 | D311-R315 PolarHBondContact O-N 3.38Š|
Retrieved 315 of 315 residues in 369.1 ms
(Link to these results)