| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 30.9 | Very low | 246 Ų | 246 | 135.8 Ų | 135.8 | 100% | 1.212 | 82% | 0.824 | S | S | * | * | 0 | 133.1 | 0 | -82.7 | 176.1 | 178.2 | 0 | 0 | 107.5 | |||||
| 2 | A | 30.9 | Very low | 30.7 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -67.9 | -174.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | V | 31.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | 109.9 | 94.2 | 161 | -165.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | S | 30.7 | Very low | 30.3 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | 77.4 | 138.6 | 69 | -70.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 5 | G | 32.3 | Very low | 30.2 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | 119.7 | 82.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 6 | V | 30.7 | Very low | 30.2 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | 74.9 | 105.5 | 80.8 | -177.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 7 | S | 31.4 | Very low | 30.5 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | 26.4 | 135.9 | 139.9 | -54.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 8 | L | 29.3 | Very low | 30.8 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | -179.1 | 134.8 | 102.5 | -117.4 | 88.1 | 0 | 0 | 0 | 113.5 | |||||
| 9 | L | 29.7 | Very low | 30.7 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | 54.2 | 115.8 | 142.1 | -69.3 | 171.8 | 0 | 0 | 0 | 121.4 | ||||
| 10 | S | 26.8 | Very low | 31 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | 149.8 | 143.5 | 91.4 | -162.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 11 | Q | 31.4 | Very low | 30.9 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | 98.5 | 133 | 148.1 | -141.3 | 152 | 27.3 | 0 | 0 | 119.2 | ||||
| 12 | A | 27.8 | Very low | 30.8 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -80.4 | 155.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 13 | G | 27.7 | Very low | 30.8 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 164.9 | 89.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 14 | D | 27.8 | Very low | 30.9 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 40.8 | 127.9 | 153.3 | -60.4 | -42.1 | 0 | 0 | 0 | 121.7 | ||||
| 15 | V | 29.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | 167.1 | 129.8 | 114.4 | 162.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 16 | A | 29.9 | Very low | 31.3 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 68.6 | 108.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 17 | A | 34.9 | Very low | 31.8 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 156.6 | 133.4 | 111.7 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 18 | P | 35.8 | Very low | 32 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -85.7 | 129.7 | -179.3 | 33.1 | -29.5 | 0 | 0 | 0 | 110.9 | ||||
| 19 | A | 29.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -106.1 | 128.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | A | 36.3 | Very low | 33 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 55.7 | 114 | 145 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 21 | M | 29.7 | Very low | 33.5 | Very low | 182 Ų | 182 | 120.7 Ų | 120.7 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -150.9 | 124.5 | 134.8 | -81.3 | -165.5 | 76.9 | 0 | 0 | 111.7 | ||||
| 22 | S | 32.4 | Very low | 34.2 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 63.9 | 129 | 131.9 | -148.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 23 | S | 31.7 | Very low | 34.7 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 97.8 | 127.1 | 136.6 | -67.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 24 | S | 32.3 | Very low | 35.6 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 75.2 | 112.6 | 137.8 | 55.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 25 | N | 40.3 | Very low | 36.1 | Very low | 163 Ų | 163 | 118.6 Ų | 118.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | 29.5 | 121.1 | 140 | -72.4 | -2.7 | 0 | 0 | 0 | 120 | ||||
| 26 | T | 31.2 | Very low | 37 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | -147.2 | 127.8 | 136 | -41.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | S | 42.8 | Very low | 37.7 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -56.9 | 127.5 | 173.2 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 28 | V | 35.1 | Very low | 38.3 | Very low | 138 Ų | 138 | 120 Ų | 120 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -127 | 109.2 | 155.1 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | A30 | V28-A30 PolarHBondContact O-N 3.23Š| ||
| 29 | S | 43.9 | Very low | 38.9 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -61.9 | 112.6 | 169.7 | -163.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 30 | A | 36.8 | Very low | 40 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -101.2 | 101.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | V28 | V28-A30 PolarHBondContact O-N 3.23Š| ||
| 31 | S | 36.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 115.7 Ų | 115.7 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 133.6 | 160.4 | 42.5 | 0 | 0 | 0 | 0 | 110.4 | T33 | S31-T33 PolarHBondContact O-N 3.5Š|
| 32 | P | 46.4 | Very low | 42.4 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 125.4 | 169.6 | 29.2 | -28.2 | 0 | 0 | 0 | 108.8 | ||
| 33 | T | 37.9 | Very low | 43.3 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 139.8 | 161.6 | 39.3 | 0 | 0 | 0 | 0 | 109.2 | S31 D35 | S31-T33 PolarHBondContact O-N 3.5Å; T33-D35 PolarHBondContact O-N 3.29Å; T33-D35 PolarHBondContact OG1-OD2 3.27Å |
| 34 | P | 46.6 | Very low | 44.4 | Very low | 129 Ų | 129 | 114 Ų | 114 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | trans | -81 | 79.9 | 172 | 33.1 | -28.5 | 0 | 0 | 0 | 107.6 | A36 | P34-A36 PolarHBondContact O-N 2.99Š| ||
| 35 | D | 37.7 | Very low | 45.5 | Very low | 129 Ų | 129 | 110.8 Ų | 110.8 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | trans | -74.8 | 111.7 | 170.9 | -70.3 | -50.9 | 0 | 0 | 0 | 108.7 | T33 D37 | T33-D35 PolarHBondContact O-N 3.29Å; T33-D35 PolarHBondContact OG1-OD2 3.27Å; D35-D37 PolarHBondContact O-N 2.93Å | ||
| 36 | A | 47.9 | Very low | 46.2 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 79% | 0.793 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -68.1 | 106.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P34 | P34-A36 PolarHBondContact O-N 2.99Š|
| 37 | D | 45.4 | Very low | 47.5 | Very low | 131 Ų | 131 | 104.4 Ų | 104.4 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | trans | -178.9 | 49.3 | 134.6 | -110.4 | -17.9 | 0 | 0 | 0 | 113.3 | D35 R39 | D35-D37 PolarHBondContact O-N 2.93Å; D37-R39 VanDerWaalsContact C-N 3.29Å; D37-R39 PolarHBondContact O-N 2.76Å | ||
| 38 | T | 47.2 | Very low | 48.8 | Very low | 132 Ų | 132 | 103.3 Ų | 103.3 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | trans | -90.7 | 67.6 | 165.8 | -15.7 | 0 | 0 | 0 | 0 | 109.5 | G40 | T38-G40 PolarHBondContact O-N 2.76Š| ||
| 39 | R | 48.5 | Very low | 50.7 | Low | 183 Ų | 183 | 101.2 Ų | 101.2 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | trans | -80 | 52 | 175 | -63.8 | -177.4 | 75.6 | 112.4 | 2.3 | 111.6 | D37 | D37-R39 VanDerWaalsContact C-N 3.29Å; D37-R39 PolarHBondContact O-N 2.76Å | ||
| 40 | G | 53.3 | Low | 52.1 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 37% | 0.371 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -171.3 | 151.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T38 D112 | T38-G40 PolarHBondContact O-N 2.76Å; G40-D112 WeakPolarHBondContact CA-OD1 3.32Å |
| 41 | C | 58.3 | Low | 53.9 | Low | 21 Ų | 21 | 94.4 Ų | 94.4 | 14% | 0.142 | 56% | 0.56 | C | S | . | * | trans | -67.9 | 141.2 | 172.4 | -73.4 | 0 | 0 | 0 | 0 | 111.5 | D112 P113 C114 P204 | C41-D112 PolarHBondContact N-OD1 2.83Å; C41-P113 HydrophobicContact CB-CG 4.09Å; C41-P113 WeakPolarHBondContact O-CD 3.03Å; C41-P113 VanDerWaalsContact O-CG 3.27Å; C41-P113 WeakPolarHBondContact O-CG 3.4Å; C41-C114 HydrophobicContact CB-CB 3.74Å; C41-C114 WeakPolarHBondContact CB-SG 3.37Å; C41-C114 WeakPolarHBondContact SG-CB 3.4Å; C41-C114 CovalentContact SG-SG 2.01Å; C41-C114 PolarHBondContact SG-SG 3.34Å; C41-P204 WeakPolarHBondContact SG-CB 3.29Å | ||
| 42 | E | 57 | Low | 55.9 | Low | 170 Ų | 170 | 94.8 Ų | 94.8 | 79% | 0.794 | 55% | 0.553 | S | S | * | * | trans | -65.3 | 140.8 | 166.1 | -84.4 | 179.6 | 96.3 | 0 | 0 | 111.2 | G44 A45 | E42-G44 PolarHBondContact O-N 3.04Å; E42-A45 PolarHBondContact O-N 3.43Å | ||
| 43 | N | 51.8 | Low | 57.7 | Low | 124 Ų | 124 | 95 Ų | 95 | 66% | 0.663 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 109.5 | 172.7 | -67.2 | -30.1 | 0 | 0 | 0 | 108.9 | P113 | N43-P113 WeakPolarHBondContact OD1-CG 3.5Š|
| 44 | G | 54.6 | Low | 59.7 | Low | 53 Ų | 53 | 91.4 Ų | 91.4 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 128.5 | -15.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E42 L46 M47 D48 | E42-G44 PolarHBondContact O-N 3.04Å; G44-L46 PolarHBondContact O-N 3.43Å; G44-M47 PolarHBondContact O-N 2.86Å; G44-M47 VanDerWaalsContact O-N 3.1Å; G44-D48 PolarHBondContact O-N 3.41Å |
| 45 | A | 56.1 | Low | 61.2 | Low | 43 Ų | 43 | 88.6 Ų | 88.6 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E42 | E42-A45 PolarHBondContact O-N 3.43Š|
| 46 | L | 55.8 | Low | 63.5 | Low | 34 Ų | 34 | 84.1 Ų | 84.1 | 18% | 0.178 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -28 | 178.3 | -111 | 130.2 | 0 | 0 | 0 | 114.1 | G44 Y117 M212 | G44-L46 PolarHBondContact O-N 3.43Å; L46-Y117 HydrophobicContact CD1-CD1 4.45Å; L46-Y117 HydrophobicContact CD1-CD2 3.89Å; L46-Y117 HydrophobicContact CD1-CE2 4.45Å; L46-Y117 HydrophobicContact CD1-CG 3.89Å; L46-Y117 HydrophobicContact CD2-CD1 4.26Å; L46-Y117 HydrophobicContact CD2-CD2 3.72Å; L46-Y117 HydrophobicContact CD2-CE1 4.02Å; L46-Y117 HydrophobicContact CD2-CE2 3.4Å; L46-Y117 VanDerWaalsContact CD2-CE2 3.4Å; L46-Y117 HydrophobicContact CD2-CG 4.13Å; L46-Y117 HydrophobicContact CG-CD2 4.46Å; L46-M212 HydrophobicContact CD2-CE 4.39Å |
| 47 | M | 58.3 | Low | 65.3 | Low | 130 Ų | 130 | 82.2 Ų | 82.2 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 6.1 | 176.1 | -72.8 | -160.3 | 94.3 | 0 | 0 | 113.1 | G44 | G44-M47 PolarHBondContact O-N 2.86Å; G44-M47 VanDerWaalsContact O-N 3.1Å |
| 48 | D | 69.8 | Low | 67 | Low | 87 Ų | 87 | 78.7 Ų | 78.7 | 47% | 0.465 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -63.5 | 160.2 | 174.3 | -169.6 | 24.5 | 0 | 0 | 0 | 110.7 | G44 F50 G51 I52 | G44-D48 PolarHBondContact O-N 3.41Å; D48-F50 PolarHBondContact O-N 2.83Å; D48-G51 PolarHBondContact O-N 3.34Å; D48-I52 PolarHBondContact O-N 2.88Å |
| 49 | S | 74.6 | Confident | 68.7 | Low | 95 Ų | 95 | 75.2 Ų | 75.2 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -51.1 | -30.2 | -176.2 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | F53 | S49-F53 WeakPolarHBondContact O-CB 3.47Å; S49-F53 PolarHBondContact O-N 3.45Å; S49-F53 VanDerWaalsContact O-N 3.09Å |
| 50 | F | 73.6 | Confident | 70.6 | Confident | 64 Ų | 64 | 72 Ų | 72 | 28% | 0.281 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 174.9 | -175.7 | -108.6 | 0 | 0 | 0 | 113.8 | D48 F53 L54 Q205 L208 | D48-F50 PolarHBondContact O-N 2.83Å; F50-F53 PolarHBondContact O-N 2.9Å; F50-L54 HydrophobicContact CD1-CD1 3.94Å; F50-L54 HydrophobicContact CE1-CD1 3.35Å; F50-L54 HydrophobicContact CE1-CG 4.16Å; F50-L54 HydrophobicContact CE2-CD1 4.4Å; F50-L54 HydrophobicContact CE2-CG 4.4Å; F50-L54 HydrophobicContact CZ-CD1 3.63Å; F50-L54 HydrophobicContact CZ-CD2 4.41Å; F50-L54 HydrophobicContact CZ-CG 4.08Å; F50-L54 WeakPolarHBondContact O-CG 3.33Å; F50-L54 PolarHBondContact O-N 3.27Å; F50-Q205 HydrophobicContact CD1-CB 4.18Å; F50-Q205 HydrophobicContact CD1-CG 3.92Å; F50-Q205 HydrophobicContact CE1-CB 3.61Å; F50-Q205 HydrophobicContact CE1-CG 3.88Å; F50-Q205 HydrophobicContact CZ-CB 4.05Å; F50-L208 HydrophobicContact CD1-CD2 4.26Å; F50-L208 HydrophobicContact CE1-CD2 4.42Å |
| 51 | G | 73.5 | Confident | 72.1 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | D48 F53 L54 Q55 | D48-G51 PolarHBondContact O-N 3.34Å; G51-F53 VanDerWaalsContact C-N 3.33Å; G51-F53 PolarHBondContact O-N 3.25Å; G51-L54 PolarHBondContact O-N 3.44Å; G51-Q55 WeakPolarHBondContact O-CB 3.19Å; G51-Q55 PolarHBondContact O-N 3.19Å |
| 52 | I | 80.1 | Confident | 73.3 | Confident | 108 Ų | 108 | 74.1 Ų | 74.1 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 175.1 | -62.5 | 174.9 | 0 | 0 | 0 | 110.8 | D48 Q55 G56 | D48-I52 PolarHBondContact O-N 2.88Å; I52-Q55 PolarHBondContact O-N 3.3Å; I52-G56 PolarHBondContact O-N 3.37Å |
| 53 | F | 84 | Confident | 74.6 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 58% | 0.575 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.6 | -48.4 | 176.2 | 171.8 | -100.4 | 0 | 0 | 0 | 112.2 | S49 F50 G51 Q55 G56 L57 | S49-F53 WeakPolarHBondContact O-CB 3.47Å; S49-F53 PolarHBondContact O-N 3.45Å; S49-F53 VanDerWaalsContact O-N 3.09Å; F50-F53 PolarHBondContact O-N 2.9Å; G51-F53 VanDerWaalsContact C-N 3.33Å; G51-F53 PolarHBondContact O-N 3.25Å; F53-Q55 VanDerWaalsContact C-N 3.35Å; F53-Q55 PolarHBondContact O-N 3.31Å; F53-G56 PolarHBondContact O-N 3.12Å; F53-L57 WeakPolarHBondContact O-CB 3.36Å; F53-L57 PolarHBondContact O-N 3.01Å |
| 54 | L | 79.6 | Confident | 76.2 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.2 | -76.8 | 179 | 0 | 0 | 0 | 112.3 | F50 G51 L57 L58 L208 A209 | F50-L54 HydrophobicContact CD1-CD1 3.94Å; F50-L54 HydrophobicContact CE1-CD1 3.35Å; F50-L54 HydrophobicContact CE1-CG 4.16Å; F50-L54 HydrophobicContact CE2-CD1 4.4Å; F50-L54 HydrophobicContact CE2-CG 4.4Å; F50-L54 HydrophobicContact CZ-CD1 3.63Å; F50-L54 HydrophobicContact CZ-CD2 4.41Å; F50-L54 HydrophobicContact CZ-CG 4.08Å; F50-L54 WeakPolarHBondContact O-CG 3.33Å; F50-L54 PolarHBondContact O-N 3.27Å; G51-L54 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 3.49Å; L54-L58 WeakPolarHBondContact O-CB 3.5Å; L54-L58 PolarHBondContact O-N 3.34Å; L54-L208 HydrophobicContact CD1-CD2 4.02Å; L54-L208 HydrophobicContact CD1-CG 4.11Å; L54-A209 HydrophobicContact CD1-CB 4.34Å |
| 55 | Q | 79.1 | Confident | 77.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.6 | -173.3 | 168.9 | -30.9 | 0 | 0 | 111.8 | G51 I52 F53 L58 A59 H99 | G51-Q55 WeakPolarHBondContact O-CB 3.19Å; G51-Q55 PolarHBondContact O-N 3.19Å; I52-Q55 PolarHBondContact O-N 3.3Å; F53-Q55 VanDerWaalsContact C-N 3.35Å; F53-Q55 PolarHBondContact O-N 3.31Å; Q55-L58 PolarHBondContact O-N 2.93Å; Q55-A59 WeakPolarHBondContact O-CB 3.34Å; Q55-A59 PolarHBondContact O-N 3.18Å; Q55-H99 VanDerWaalsContact CD-CE1 3.44Å; Q55-H99 PolarHBondContact NE2-CE1 3.47Å; Q55-H99 PolarHBondContact NE2-ND1 2.97Å; Q55-H99 PolarHBondContact NE2-NE2 2.99Å; Q55-H99 PolarHBondContact OE1-CE1 3.03Å; Q55-H99 PolarHBondContact OE1-ND1 3.47Å |
| 56 | G | 84.2 | Confident | 78.8 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | I52 F53 A59 M60 | I52-G56 PolarHBondContact O-N 3.37Å; F53-G56 PolarHBondContact O-N 3.12Å; G56-A59 PolarHBondContact O-N 3.49Å; G56-M60 WeakPolarHBondContact O-CG 3.42Å; G56-M60 PolarHBondContact O-N 3.38Å |
| 57 | L | 86.3 | Confident | 80.2 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.7 | -179 | 62.5 | 0 | 0 | 0 | 111.6 | F53 L54 A59 M60 V61 | F53-L57 WeakPolarHBondContact O-CB 3.36Å; F53-L57 PolarHBondContact O-N 3.01Å; L54-L57 PolarHBondContact O-N 3.49Å; L57-A59 PolarHBondContact O-N 3.35Å; L57-M60 HydrophobicContact CD1-CE 4.11Å; L57-M60 PolarHBondContact O-N 2.89Å; L57-V61 HydrophobicContact CD1-CG2 4.36Å; L57-V61 WeakPolarHBondContact O-CG2 3.25Å; L57-V61 PolarHBondContact O-N 2.73Å |
| 58 | L | 82 | Confident | 81.4 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 29% | 0.293 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.9 | -174.8 | 68.5 | 0 | 0 | 0 | 111.4 | L54 Q55 M60 V61 A62 L213 | L54-L58 WeakPolarHBondContact O-CB 3.5Å; L54-L58 PolarHBondContact O-N 3.34Å; Q55-L58 PolarHBondContact O-N 2.93Å; L58-M60 VanDerWaalsContact C-N 3.34Å; L58-M60 PolarHBondContact O-N 3.02Å; L58-V61 PolarHBondContact O-N 2.84Å; L58-A62 VanDerWaalsContact O-CB 3.23Å; L58-A62 WeakPolarHBondContact O-CB 3.43Å; L58-A62 PolarHBondContact O-N 3.41Å; L58-L213 HydrophobicContact CD1-CD1 3.91Å |
| 59 | A | 83.3 | Confident | 82 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 49% | 0.488 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q55 G56 L57 F63 | Q55-A59 WeakPolarHBondContact O-CB 3.34Å; Q55-A59 PolarHBondContact O-N 3.18Å; G56-A59 PolarHBondContact O-N 3.49Å; L57-A59 PolarHBondContact O-N 3.35Å; A59-F63 VanDerWaalsContact O-CB 3.3Å; A59-F63 WeakPolarHBondContact O-CB 3.47Å; A59-F63 PolarHBondContact O-N 3.12Å |
| 60 | M | 87.6 | Confident | 82.4 | Confident | 117 Ų | 117 | 66.9 Ų | 66.9 | 58% | 0.576 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 175.5 | -72.8 | -168.9 | -65.1 | 0 | 0 | 112.3 | G56 L57 L58 S64 | G56-M60 WeakPolarHBondContact O-CG 3.42Å; G56-M60 PolarHBondContact O-N 3.38Å; L57-M60 HydrophobicContact CD1-CE 4.11Å; L57-M60 PolarHBondContact O-N 2.89Å; L58-M60 VanDerWaalsContact C-N 3.34Å; L58-M60 PolarHBondContact O-N 3.02Å; M60-S64 VanDerWaalsContact O-CB 3.25Å; M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.1Å; M60-S64 PolarHBondContact O-OG 2.87Å |
| 61 | V | 85.4 | Confident | 82.9 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 179 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L57 L58 S64 T65 | L57-V61 HydrophobicContact CD1-CG2 4.36Å; L57-V61 WeakPolarHBondContact O-CG2 3.25Å; L57-V61 PolarHBondContact O-N 2.73Å; L58-V61 PolarHBondContact O-N 2.84Å; V61-S64 PolarHBondContact O-N 3.38Å; V61-T65 WeakPolarHBondContact O-CB 3.46Å; V61-T65 PolarHBondContact O-N 2.94Å; V61-T65 PolarHBondContact O-OG1 3.08Å |
| 62 | A | 82.3 | Confident | 83.4 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 31% | 0.306 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L58 S64 T65 L66 | L58-A62 VanDerWaalsContact O-CB 3.23Å; L58-A62 WeakPolarHBondContact O-CB 3.43Å; L58-A62 PolarHBondContact O-N 3.41Å; A62-S64 PolarHBondContact O-N 3.49Å; A62-T65 WeakPolarHBondContact O-CB 3.35Å; A62-T65 PolarHBondContact O-N 3.34Å; A62-L66 WeakPolarHBondContact O-CG 3.45Å; A62-L66 PolarHBondContact O-N 3.16Å |
| 63 | F | 85.8 | Confident | 83.4 | Confident | 110 Ų | 110 | 77 Ų | 77 | 48% | 0.482 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177 | -175.9 | -98.1 | 0 | 0 | 0 | 112 | A59 T65 L66 M67 | A59-F63 VanDerWaalsContact O-CB 3.3Å; A59-F63 WeakPolarHBondContact O-CB 3.47Å; A59-F63 PolarHBondContact O-N 3.12Å; F63-T65 VanDerWaalsContact C-N 3.27Å; F63-T65 PolarHBondContact O-N 3.48Å; F63-L66 WeakPolarHBondContact O-CB 3.17Å; F63-L66 PolarHBondContact O-N 2.86Å; F63-M67 HydrophobicContact CD1-CG 4.14Å; F63-M67 HydrophobicContact CE1-CG 3.73Å; F63-M67 HydrophobicContact CE1-SD 4.43Å; F63-M67 HydrophobicContact CZ-CE 4.4Å; F63-M67 HydrophobicContact CZ-CG 4.04Å; F63-M67 HydrophobicContact CZ-SD 4.24Å; F63-M67 WeakPolarHBondContact O-CG 3.48Å; F63-M67 PolarHBondContact O-N 2.91Å |
| 64 | S | 85.4 | Confident | 83.1 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.8 | M60 V61 A62 M67 L68 | M60-S64 VanDerWaalsContact O-CB 3.25Å; M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.1Å; M60-S64 PolarHBondContact O-OG 2.87Å; V61-S64 PolarHBondContact O-N 3.38Å; A62-S64 PolarHBondContact O-N 3.49Å; S64-M67 PolarHBondContact O-N 3.34Å; S64-L68 WeakPolarHBondContact O-CB 3.26Å; S64-L68 PolarHBondContact O-N 3.4Å |
| 65 | T | 82 | Confident | 82.8 | Confident | 82 Ų | 82 | 81.3 Ų | 81.3 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | V61 A62 F63 L68 K69 | V61-T65 WeakPolarHBondContact O-CB 3.46Å; V61-T65 PolarHBondContact O-N 2.94Å; V61-T65 PolarHBondContact O-OG1 3.08Å; A62-T65 WeakPolarHBondContact O-CB 3.35Å; A62-T65 PolarHBondContact O-N 3.34Å; F63-T65 VanDerWaalsContact C-N 3.27Å; F63-T65 PolarHBondContact O-N 3.48Å; T65-L68 PolarHBondContact O-N 3.41Å; T65-K69 WeakPolarHBondContact O-CB 3.4Å; T65-K69 PolarHBondContact O-N 3.4Å |
| 66 | L | 82 | Confident | 82.3 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174 | -69.2 | 174.9 | 0 | 0 | 0 | 111.8 | A62 F63 K69 R70 T88 | A62-L66 WeakPolarHBondContact O-CG 3.45Å; A62-L66 PolarHBondContact O-N 3.16Å; F63-L66 WeakPolarHBondContact O-CB 3.17Å; F63-L66 PolarHBondContact O-N 2.86Å; L66-K69 PolarHBondContact O-N 2.74Å; L66-R70 PolarHBondContact O-N 2.82Å; L66-T88 HydrophobicContact CD1-CG2 4.32Å |
| 67 | M | 85.1 | Confident | 81.6 | Confident | 30 Ų | 30 | 91 Ų | 91 | 15% | 0.148 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 174.1 | -72.2 | -63.2 | 96.8 | 0 | 0 | 111.9 | F63 S64 K69 R70 F71 W84 | F63-M67 HydrophobicContact CD1-CG 4.14Å; F63-M67 HydrophobicContact CE1-CG 3.73Å; F63-M67 HydrophobicContact CE1-SD 4.43Å; F63-M67 HydrophobicContact CZ-CE 4.4Å; F63-M67 HydrophobicContact CZ-CG 4.04Å; F63-M67 HydrophobicContact CZ-SD 4.24Å; F63-M67 WeakPolarHBondContact O-CG 3.48Å; F63-M67 PolarHBondContact O-N 2.91Å; S64-M67 PolarHBondContact O-N 3.34Å; M67-K69 VanDerWaalsContact C-N 3.3Å; M67-K69 PolarHBondContact O-N 3.39Å; M67-R70 WeakPolarHBondContact O-CB 3.19Å; M67-R70 PolarHBondContact O-N 2.88Å; M67-F71 HydrophobicContact CB-CD2 4.46Å; M67-F71 HydrophobicContact CB-CE2 4.15Å; M67-F71 WeakPolarHBondContact O-CD2 3.36Å; M67-F71 WeakPolarHBondContact O-CG 3.49Å; M67-F71 PolarHBondContact O-N 3.41Å; M67-W84 HydrophobicContact CE-CH2 3.14Å; M67-W84 HydrophobicContact CE-CZ2 3.04Å; M67-W84 HydrophobicContact CE-CZ3 4.13Å |
| 68 | L | 84.2 | Confident | 81.2 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 178.1 | -173.9 | 61.9 | 0 | 0 | 0 | 111.8 | S64 T65 F71 R72 | S64-L68 WeakPolarHBondContact O-CB 3.26Å; S64-L68 PolarHBondContact O-N 3.4Å; T65-L68 PolarHBondContact O-N 3.41Å; L68-F71 PolarHBondContact O-N 3.31Å; L68-R72 WeakPolarHBondContact O-CB 3.23Å; L68-R72 PolarHBondContact O-N 2.97Å |
| 69 | K | 82.1 | Confident | 80.9 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.2 | -49.5 | 174.7 | -177.8 | 178 | 176.7 | 176.9 | 0 | 110.8 | T65 L66 M67 F71 R72 E73 | T65-K69 WeakPolarHBondContact O-CB 3.4Å; T65-K69 PolarHBondContact O-N 3.4Å; L66-K69 PolarHBondContact O-N 2.74Å; M67-K69 VanDerWaalsContact C-N 3.3Å; M67-K69 PolarHBondContact O-N 3.39Å; K69-F71 VanDerWaalsContact C-N 3.32Å; K69-F71 PolarHBondContact O-N 2.92Å; K69-R72 PolarHBondContact O-N 3.36Å; K69-R72 VanDerWaalsContact O-N 3.12Å; K69-E73 VanDerWaalsContact CE-OE1 3.23Å; K69-E73 WeakPolarHBondContact CE-OE1 3.33Å; K69-E73 WeakPolarHBondContact CG-OE1 3.25Å; K69-E73 WeakPolarHBondContact O-CG 3.31Å; K69-E73 PolarHBondContact O-N 3.48Å |
| 70 | R | 83.6 | Confident | 81 | Confident | 13 Ų | 13 | 97.4 Ų | 97.4 | 5% | 0.049 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 177.3 | -174.3 | -177.7 | -178.6 | 82.1 | 8.7 | 112.3 | L66 M67 R72 E73 R78 R79 W81 | L66-R70 PolarHBondContact O-N 2.82Å; M67-R70 WeakPolarHBondContact O-CB 3.19Å; M67-R70 PolarHBondContact O-N 2.88Å; R70-R72 VanDerWaalsContact C-N 3.32Å; R70-R72 PolarHBondContact O-N 3.21Å; R70-E73 PolarHBondContact O-N 2.88Å; R70-R78 PolarHBondContact O-NE 3.27Å; R70-R79 PolarHBondContact NH2-O 3.48Å; R70-W81 VanDerWaalsContact NE-CZ2 3.33Å; R70-W81 VanDerWaalsContact NE-CZ3 3.3Å; R70-W81 VanDerWaalsContact NH2-CG 3.28Å |
| 71 | F | 83.7 | Confident | 80.7 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 56% | 0.557 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.5 | -27.7 | 178.8 | -68.4 | -53.4 | 0 | 0 | 0 | 113.3 | M67 L68 K69 R78 | M67-F71 HydrophobicContact CB-CD2 4.46Å; M67-F71 HydrophobicContact CB-CE2 4.15Å; M67-F71 WeakPolarHBondContact O-CD2 3.36Å; M67-F71 WeakPolarHBondContact O-CG 3.49Å; M67-F71 PolarHBondContact O-N 3.41Å; L68-F71 PolarHBondContact O-N 3.31Å; K69-F71 VanDerWaalsContact C-N 3.32Å; K69-F71 PolarHBondContact O-N 2.92Å; F71-R78 PolarHBondContact O-NH2 3.19Å |
| 72 | R | 83.8 | Confident | 80.5 | Confident | 193 Ų | 193 | 103.9 Ų | 103.9 | 73% | 0.728 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -81.5 | -24.8 | 175.2 | -79.1 | -167.9 | 143.8 | 87.2 | 2.8 | 114.3 | L68 K69 R70 | L68-R72 WeakPolarHBondContact O-CB 3.23Å; L68-R72 PolarHBondContact O-N 2.97Å; K69-R72 PolarHBondContact O-N 3.36Å; K69-R72 VanDerWaalsContact O-N 3.12Å; R70-R72 VanDerWaalsContact C-N 3.32Å; R70-R72 PolarHBondContact O-N 3.21Å |
| 73 | E | 78.9 | Confident | 80.4 | Confident | 69 Ų | 69 | 104 Ų | 104 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -63.2 | 138.8 | 177.3 | -77.2 | 169.2 | -170.8 | 0 | 0 | 111 | K69 R70 R78 | K69-E73 VanDerWaalsContact CE-OE1 3.23Å; K69-E73 WeakPolarHBondContact CE-OE1 3.33Å; K69-E73 WeakPolarHBondContact CG-OE1 3.25Å; K69-E73 WeakPolarHBondContact O-CG 3.31Å; K69-E73 PolarHBondContact O-N 3.48Å; R70-E73 PolarHBondContact O-N 2.88Å; E73-R78 HydrophobicContact CB-CG 4.08Å; E73-R78 PolarHBondContact O-NE 3.28Å; E73-R78 PolarHBondContact O-NH2 2.97Å |
| 74 | P | 78.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 100.9 Ų | 100.9 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | trans | -60.5 | 139.1 | 178.3 | -19.6 | 30.3 | 0 | 0 | 0 | 111.7 | H76 E77 R78 | P74-H76 WeakPolarHBondContact CB-CE1 3.49Å; P74-H76 WeakPolarHBondContact CB-ND1 3.33Å; P74-H76 PolarHBondContact O-N 2.98Å; P74-E77 PolarHBondContact O-N 3.21Å; P74-R78 WeakPolarHBondContact O-CG 3.49Å; P74-R78 PolarHBondContact O-N 2.93Å | ||
| 75 | K | 73 | Confident | 80.3 | Confident | 180 Ų | 180 | 104.2 Ų | 104.2 | 78% | 0.783 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -31.8 | -178.2 | -74.8 | -173 | 179.1 | -176.9 | 0 | 113.9 | ||
| 76 | H | 69.8 | Low | 80.3 | Confident | 165 Ų | 165 | 101.9 Ų | 101.9 | 76% | 0.764 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -18.1 | -177.1 | 72.2 | -90.7 | 0 | 0 | 0 | 114.9 | P74 | P74-H76 WeakPolarHBondContact CB-CE1 3.49Å; P74-H76 WeakPolarHBondContact CB-ND1 3.33Å; P74-H76 PolarHBondContact O-N 2.98Å |
| 77 | E | 70.2 | Confident | 80.3 | Confident | 142 Ų | 142 | 100.7 Ų | 100.7 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -3.4 | -178.2 | -158.5 | 166.2 | -161.3 | 0 | 0 | 111.8 | P74 | P74-E77 PolarHBondContact O-N 3.21Š|
| 78 | R | 76.2 | Confident | 80.3 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 31% | 0.313 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 132.3 | -179.7 | -76.3 | 176.6 | -164.2 | -173.7 | -1.5 | 111.3 | R70 F71 E73 P74 | R70-R78 PolarHBondContact O-NE 3.27Å; F71-R78 PolarHBondContact O-NH2 3.19Å; E73-R78 HydrophobicContact CB-CG 4.08Å; E73-R78 PolarHBondContact O-NE 3.28Å; E73-R78 PolarHBondContact O-NH2 2.97Å; P74-R78 WeakPolarHBondContact O-CG 3.49Å; P74-R78 PolarHBondContact O-N 2.93Å |
| 79 | R | 77.4 | Confident | 80.5 | Confident | 145 Ų | 145 | 97.2 Ų | 97.2 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 145.6 | 170.7 | -62 | -165.7 | -172.4 | -122.7 | 1.5 | 111.5 | R70 | R70-R79 PolarHBondContact NH2-O 3.48Š|
| 80 | P | 83.9 | Confident | 80.6 | Confident | 79 Ų | 79 | 91.6 Ų | 91.6 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 146.1 | 174.2 | -26.1 | 33.1 | 0 | 0 | 0 | 112.6 | R82 I83 W84 | P80-R82 VanDerWaalsContact C-N 3.28Å; P80-R82 PolarHBondContact O-N 2.77Å; P80-I83 HydrophobicContact CB-CD1 4.42Å; P80-I83 HydrophobicContact CB-CG1 4.38Å; P80-I83 HydrophobicContact CG-CD1 4.05Å; P80-I83 PolarHBondContact O-N 2.86Å; P80-W84 PolarHBondContact O-N 3.31Å |
| 81 | W | 81.9 | Confident | 80.7 | Confident | 156 Ų | 156 | 96 Ų | 96 | 59% | 0.591 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.5 | -39.8 | -177.8 | -82 | 103.2 | 0 | 0 | 0 | 113.2 | R70 W84 F85 | R70-W81 VanDerWaalsContact NE-CZ2 3.33Å; R70-W81 VanDerWaalsContact NE-CZ3 3.3Å; R70-W81 VanDerWaalsContact NH2-CG 3.28Å; W81-W84 HydrophobicContact CE3-CE3 4.04Å; W81-W84 HydrophobicContact CE3-CZ3 4.39Å; W81-W84 HydrophobicContact CZ3-CE3 4.2Å; W81-W84 HydrophobicContact CZ3-CZ3 4.2Å; W81-W84 PolarHBondContact O-N 2.92Å; W81-F85 WeakPolarHBondContact O-CB 3.3Å; W81-F85 PolarHBondContact O-N 3.05Å |
| 82 | R | 80.8 | Confident | 80.9 | Confident | 161 Ų | 161 | 92.6 Ų | 92.6 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -49 | 177.8 | -62.7 | 179.4 | 77.7 | -162.1 | 6.1 | 111.8 | P80 F85 L86 | P80-R82 VanDerWaalsContact C-N 3.28Å; P80-R82 PolarHBondContact O-N 2.77Å; R82-F85 PolarHBondContact O-N 2.74Å; R82-L86 VanDerWaalsContact O-CG 3.25Å; R82-L86 WeakPolarHBondContact O-CG 3.43Å; R82-L86 PolarHBondContact O-N 3.36Å |
| 83 | I | 80.6 | Confident | 81.2 | Confident | 41 Ų | 41 | 86.7 Ų | 86.7 | 21% | 0.21 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 179.6 | -62.8 | -178.3 | 0 | 0 | 0 | 110.5 | P80 F85 L86 D87 Y156 | P80-I83 HydrophobicContact CB-CD1 4.42Å; P80-I83 HydrophobicContact CB-CG1 4.38Å; P80-I83 HydrophobicContact CG-CD1 4.05Å; P80-I83 PolarHBondContact O-N 2.86Å; I83-F85 VanDerWaalsContact C-N 3.34Å; I83-F85 PolarHBondContact O-N 3.4Å; I83-L86 WeakPolarHBondContact O-CB 3.4Å; I83-L86 PolarHBondContact O-N 3.42Å; I83-D87 PolarHBondContact O-N 3.43Å; I83-Y156 HydrophobicContact CG1-CD2 4.36Å; I83-Y156 HydrophobicContact CG2-CD2 4.09Å; I83-Y156 HydrophobicContact CG2-CE2 3.9Å |
| 84 | W | 84.1 | Confident | 81.6 | Confident | 44 Ų | 44 | 83.5 Ų | 83.5 | 17% | 0.167 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 177.8 | 173.9 | 87.9 | 0 | 0 | 0 | 112.7 | M67 P80 W81 L86 D87 T88 | M67-W84 HydrophobicContact CE-CH2 3.14Å; M67-W84 HydrophobicContact CE-CZ2 3.04Å; M67-W84 HydrophobicContact CE-CZ3 4.13Å; P80-W84 PolarHBondContact O-N 3.31Å; W81-W84 HydrophobicContact CE3-CE3 4.04Å; W81-W84 HydrophobicContact CE3-CZ3 4.39Å; W81-W84 HydrophobicContact CZ3-CE3 4.2Å; W81-W84 HydrophobicContact CZ3-CZ3 4.2Å; W81-W84 PolarHBondContact O-N 2.92Å; W84-L86 VanDerWaalsContact C-N 3.33Å; W84-D87 PolarHBondContact O-N 3.41Å; W84-T88 HydrophobicContact CH2-CG2 4.21Å; W84-T88 HydrophobicContact CZ2-CG2 4.08Å; W84-T88 WeakPolarHBondContact CZ2-OG1 3.36Å; W84-T88 VanDerWaalsContact O-CB 3.29Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 3.46Å; W84-T88 PolarHBondContact O-OG1 3.28Å |
| 85 | F | 84.8 | Confident | 82 | Confident | 137 Ų | 137 | 87 Ų | 87 | 60% | 0.601 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 176.9 | -177.5 | -98.2 | 0 | 0 | 0 | 110.7 | W81 R82 I83 D87 T88 S89 | W81-F85 WeakPolarHBondContact O-CB 3.3Å; W81-F85 PolarHBondContact O-N 3.05Å; R82-F85 PolarHBondContact O-N 2.74Å; I83-F85 VanDerWaalsContact C-N 3.34Å; I83-F85 PolarHBondContact O-N 3.4Å; F85-D87 VanDerWaalsContact C-N 3.33Å; F85-D87 PolarHBondContact O-N 3.04Å; F85-T88 PolarHBondContact O-N 2.98Å; F85-S89 VanDerWaalsContact O-CB 3.32Å; F85-S89 WeakPolarHBondContact O-CB 3.35Å; F85-S89 PolarHBondContact O-N 2.8Å; F85-S89 PolarHBondContact O-OG 3.46Å |
| 86 | L | 81.7 | Confident | 82.6 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 176.4 | -70.1 | 170.7 | 0 | 0 | 0 | 112.8 | R82 I83 W84 S89 K90 Y156 V160 W165 | R82-L86 VanDerWaalsContact O-CG 3.25Å; R82-L86 WeakPolarHBondContact O-CG 3.43Å; R82-L86 PolarHBondContact O-N 3.36Å; I83-L86 WeakPolarHBondContact O-CB 3.4Å; I83-L86 PolarHBondContact O-N 3.42Å; W84-L86 VanDerWaalsContact C-N 3.33Å; L86-S89 PolarHBondContact O-OG 3.17Å; L86-K90 VanDerWaalsContact C-NZ 3.27Å; L86-K90 VanDerWaalsContact O-CG 3.32Å; L86-K90 WeakPolarHBondContact O-CG 3.29Å; L86-K90 PolarHBondContact O-N 3.19Å; L86-K90 PolarHBondContact O-NZ 2.8Å; L86-Y156 HydrophobicContact CD1-CG 4.44Å; L86-V160 HydrophobicContact CD1-CG1 3.73Å; L86-W165 HydrophobicContact CD2-CD2 4.42Å; L86-W165 HydrophobicContact CD2-CG 4.03Å; L86-W165 PolarHBondContact O-NE1 2.77Å; L86-W165 VanDerWaalsContact O-NE1 3.1Å |
| 87 | D | 82.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -76.3 | -38.4 | 177.4 | -71.9 | -15 | 0 | 0 | 0 | 112.1 | I83 W84 F85 K90 Q91 Y156 | I83-D87 PolarHBondContact O-N 3.43Å; W84-D87 PolarHBondContact O-N 3.41Å; F85-D87 VanDerWaalsContact C-N 3.33Å; F85-D87 PolarHBondContact O-N 3.04Å; D87-K90 PolarHBondContact O-N 3.49Å; D87-K90 IonicContact OD1-NZ 2.82Å; D87-K90 PolarHBondContact OD1-NZ 3.38Å; D87-Q91 PolarHBondContact O-N 2.98Å; D87-Q91 VanDerWaalsContact O-N 3.16Å; D87-Y156 WeakPolarHBondContact OD1-CE2 3.25Å; D87-Y156 VanDerWaalsContact OD1-CZ 3.3Å; D87-Y156 PolarHBondContact OD1-OH 3.23Å |
| 88 | T | 85.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | L66 W84 F85 Q91 A92 | L66-T88 HydrophobicContact CD1-CG2 4.32Å; W84-T88 HydrophobicContact CH2-CG2 4.21Å; W84-T88 HydrophobicContact CZ2-CG2 4.08Å; W84-T88 WeakPolarHBondContact CZ2-OG1 3.36Å; W84-T88 VanDerWaalsContact O-CB 3.29Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 3.46Å; W84-T88 PolarHBondContact O-OG1 3.28Å; F85-T88 PolarHBondContact O-N 2.98Å; T88-Q91 PolarHBondContact O-N 3.34Å; T88-A92 PolarHBondContact O-N 2.81Å |
| 89 | S | 87.1 | Confident | 84.5 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | F85 L86 Q91 A92 I93 | F85-S89 VanDerWaalsContact O-CB 3.32Å; F85-S89 WeakPolarHBondContact O-CB 3.35Å; F85-S89 PolarHBondContact O-N 2.8Å; F85-S89 PolarHBondContact O-OG 3.46Å; L86-S89 PolarHBondContact O-OG 3.17Å; S89-Q91 VanDerWaalsContact C-N 3.35Å; S89-Q91 PolarHBondContact O-N 2.79Å; S89-A92 PolarHBondContact O-N 3.22Å; S89-I93 VanDerWaalsContact O-CG1 3.27Å; S89-I93 WeakPolarHBondContact O-CG1 3.49Å; S89-I93 PolarHBondContact O-N 2.9Å |
| 90 | K | 85.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 171.5 | -73.4 | -178.4 | -147 | 76.2 | 0 | 111.9 | L86 D87 I93 G94 Y156 W165 C169 | L86-K90 VanDerWaalsContact C-NZ 3.27Å; L86-K90 VanDerWaalsContact O-CG 3.32Å; L86-K90 WeakPolarHBondContact O-CG 3.29Å; L86-K90 PolarHBondContact O-N 3.19Å; L86-K90 PolarHBondContact O-NZ 2.8Å; D87-K90 PolarHBondContact O-N 3.49Å; D87-K90 IonicContact OD1-NZ 2.82Å; D87-K90 PolarHBondContact OD1-NZ 3.38Å; K90-I93 PolarHBondContact O-N 2.85Å; K90-G94 PolarHBondContact O-N 2.85Å; K90-Y156 WeakPolarHBondContact CE-OH 2.85Å; K90-Y156 PolarHBondContact NZ-OH 3.24Å; K90-W165 HydrophobicContact CG-CZ2 4.36Å; K90-W165 VanDerWaalsContact NZ-CD1 3.25Å; K90-C169 HydrophobicContact CD-CB 4.38Å; K90-C169 HydrophobicContact CG-CB 4.05Å |
| 91 | Q | 85.6 | Confident | 84.8 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.9 | -74.6 | -179.5 | 77.4 | 0 | 0 | 111.9 | D87 T88 S89 G94 M95 | D87-Q91 PolarHBondContact O-N 2.98Å; D87-Q91 VanDerWaalsContact O-N 3.16Å; T88-Q91 PolarHBondContact O-N 3.34Å; S89-Q91 VanDerWaalsContact C-N 3.35Å; S89-Q91 PolarHBondContact O-N 2.79Å; Q91-G94 PolarHBondContact O-N 3.38Å; Q91-M95 PolarHBondContact O-N 2.87Å |
| 92 | A | 87.4 | Confident | 84.6 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T88 S89 G94 M95 L96 | T88-A92 PolarHBondContact O-N 2.81Å; S89-A92 PolarHBondContact O-N 3.22Å; A92-G94 VanDerWaalsContact C-N 3.32Å; A92-G94 PolarHBondContact O-N 3.48Å; A92-M95 PolarHBondContact O-N 3.37Å; A92-L96 WeakPolarHBondContact O-CB 3.29Å; A92-L96 PolarHBondContact O-N 3.48Å |
| 93 | I | 90.1 | Very high | 84.4 | Confident | 68 Ų | 68 | 53.8 Ų | 53.8 | 35% | 0.349 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.7 | -66.2 | 164 | 0 | 0 | 0 | 110.5 | S89 K90 L96 F97 W165 I173 | S89-I93 VanDerWaalsContact O-CG1 3.27Å; S89-I93 WeakPolarHBondContact O-CG1 3.49Å; S89-I93 PolarHBondContact O-N 2.9Å; K90-I93 PolarHBondContact O-N 2.85Å; I93-L96 PolarHBondContact O-N 3.34Å; I93-F97 WeakPolarHBondContact O-CB 3.27Å; I93-F97 PolarHBondContact O-N 2.54Å; I93-W165 HydrophobicContact CD1-CH2 3.96Å; I93-W165 HydrophobicContact CD1-CZ2 4.08Å; I93-I173 HydrophobicContact CG2-CD1 3.91Å; I93-I173 HydrophobicContact CG2-CG1 4.49Å |
| 94 | G | 88.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K90 Q91 A92 L96 F97 I98 M176 | K90-G94 PolarHBondContact O-N 2.85Å; Q91-G94 PolarHBondContact O-N 3.38Å; A92-G94 VanDerWaalsContact C-N 3.32Å; A92-G94 PolarHBondContact O-N 3.48Å; G94-L96 VanDerWaalsContact C-N 3.31Å; G94-L96 PolarHBondContact O-N 3.46Å; G94-F97 WeakPolarHBondContact O-CB 3.47Å; G94-F97 PolarHBondContact O-N 2.92Å; G94-I98 WeakPolarHBondContact O-CG1 3.46Å; G94-I98 PolarHBondContact O-N 2.87Å; G94-M176 VanDerWaalsContact CA-CE 3.42Å; G94-M176 VanDerWaalsContact CA-SD 3.6Å |
| 95 | M | 85.1 | Confident | 83.9 | Confident | 135 Ų | 135 | 58.5 Ų | 58.5 | 67% | 0.665 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.8 | -43.8 | 175.9 | -170.2 | 91.2 | 73 | 0 | 0 | 111.4 | Q91 A92 I98 H99 | Q91-M95 PolarHBondContact O-N 2.87Å; A92-M95 PolarHBondContact O-N 3.37Å; M95-I98 PolarHBondContact O-N 3.41Å; M95-H99 WeakPolarHBondContact O-CB 3Å; M95-H99 PolarHBondContact O-N 2.89Å |
| 96 | L | 87.1 | Confident | 83.2 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177.8 | -175 | 63.3 | 0 | 0 | 0 | 111.5 | A92 I93 G94 H99 F100 | A92-L96 WeakPolarHBondContact O-CB 3.29Å; A92-L96 PolarHBondContact O-N 3.48Å; I93-L96 PolarHBondContact O-N 3.34Å; G94-L96 VanDerWaalsContact C-N 3.31Å; G94-L96 PolarHBondContact O-N 3.46Å; L96-H99 PolarHBondContact O-N 3.31Å; L96-F100 HydrophobicContact CD1-CD2 3.96Å; L96-F100 HydrophobicContact CD1-CE2 3.34Å; L96-F100 HydrophobicContact CD1-CZ 3.96Å; L96-F100 HydrophobicContact CD2-CE2 4.11Å; L96-F100 HydrophobicContact CG-CD2 3.89Å; L96-F100 HydrophobicContact CG-CE2 3.52Å; L96-F100 WeakPolarHBondContact O-CD2 3.16Å; L96-F100 PolarHBondContact O-N 3.31Å; L96-F100 VanDerWaalsContact O-N 3.08Å |
| 97 | F | 89.2 | Confident | 82.7 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 23% | 0.232 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 176.2 | 170.1 | -96.8 | 0 | 0 | 0 | 111.8 | I93 G94 H99 F100 A101 I173 M176 M177 | I93-F97 WeakPolarHBondContact O-CB 3.27Å; I93-F97 PolarHBondContact O-N 2.54Å; G94-F97 WeakPolarHBondContact O-CB 3.47Å; G94-F97 PolarHBondContact O-N 2.92Å; F97-H99 VanDerWaalsContact C-N 3.33Å; F97-H99 PolarHBondContact O-N 2.91Å; F97-F100 PolarHBondContact O-N 2.97Å; F97-A101 HydrophobicContact CZ-CB 4.42Å; F97-A101 WeakPolarHBondContact O-CB 3.23Å; F97-A101 PolarHBondContact O-N 3.12Å; F97-I173 HydrophobicContact CB-CD1 4.04Å; F97-I173 HydrophobicContact CG-CD1 4.26Å; F97-M176 HydrophobicContact CD1-CB 4.36Å; F97-M176 HydrophobicContact CE1-CB 4.43Å; F97-M177 HydrophobicContact CE1-CG 4.41Å; F97-M177 HydrophobicContact CE1-SD 3.98Å; F97-M177 HydrophobicContact CE2-CG 4.44Å; F97-M177 HydrophobicContact CE2-SD 3.35Å; F97-M177 WeakPolarHBondContact CE2-SD 3.28Å; F97-M177 HydrophobicContact CZ-CE 4.37Å; F97-M177 HydrophobicContact CZ-CG 3.97Å; F97-M177 HydrophobicContact CZ-SD 3.03Å; F97-M177 WeakPolarHBondContact CZ-SD 3.43Å |
| 98 | I | 84.3 | Confident | 82 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 179 | -66.6 | -63.1 | 0 | 0 | 0 | 111.4 | G94 M95 A101 N102 M176 K180 | G94-I98 WeakPolarHBondContact O-CG1 3.46Å; G94-I98 PolarHBondContact O-N 2.87Å; M95-I98 PolarHBondContact O-N 3.41Å; I98-A101 PolarHBondContact O-N 3.32Å; I98-N102 WeakPolarHBondContact O-CB 3.43Å; I98-N102 PolarHBondContact O-N 3.25Å; I98-M176 HydrophobicContact CD1-CB 4.49Å; I98-K180 HydrophobicContact CD1-CD 4.15Å |
| 99 | H | 82.1 | Confident | 81 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 175.5 | 174.2 | 65.1 | 0 | 0 | 0 | 111.7 | Q55 M95 L96 F97 A101 N102 V103 | Q55-H99 VanDerWaalsContact CD-CE1 3.44Å; Q55-H99 PolarHBondContact NE2-CE1 3.47Å; Q55-H99 PolarHBondContact NE2-ND1 2.97Å; Q55-H99 PolarHBondContact NE2-NE2 2.99Å; Q55-H99 PolarHBondContact OE1-CE1 3.03Å; Q55-H99 PolarHBondContact OE1-ND1 3.47Å; M95-H99 WeakPolarHBondContact O-CB 3Å; M95-H99 PolarHBondContact O-N 2.89Å; L96-H99 PolarHBondContact O-N 3.31Å; F97-H99 VanDerWaalsContact C-N 3.33Å; F97-H99 PolarHBondContact O-N 2.91Å; H99-A101 VanDerWaalsContact C-N 3.35Å; H99-A101 PolarHBondContact O-N 3.32Å; H99-N102 PolarHBondContact O-N 2.84Å; H99-V103 WeakPolarHBondContact O-CG2 3.44Å; H99-V103 PolarHBondContact O-N 3.44Å |
| 100 | F | 82.9 | Confident | 79.5 | Confident | 125 Ų | 125 | 71.1 Ų | 71.1 | 55% | 0.548 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.4 | -73.8 | -57.8 | 0 | 0 | 0 | 112.7 | L96 F97 N102 V103 Y104 | L96-F100 HydrophobicContact CD1-CD2 3.96Å; L96-F100 HydrophobicContact CD1-CE2 3.34Å; L96-F100 HydrophobicContact CD1-CZ 3.96Å; L96-F100 HydrophobicContact CD2-CE2 4.11Å; L96-F100 HydrophobicContact CG-CD2 3.89Å; L96-F100 HydrophobicContact CG-CE2 3.52Å; L96-F100 WeakPolarHBondContact O-CD2 3.16Å; L96-F100 PolarHBondContact O-N 3.31Å; L96-F100 VanDerWaalsContact O-N 3.08Å; F97-F100 PolarHBondContact O-N 2.97Å; F100-N102 VanDerWaalsContact C-N 3.33Å; F100-N102 PolarHBondContact O-N 3.4Å; F100-V103 PolarHBondContact O-N 2.9Å; F100-Y104 WeakPolarHBondContact O-CB 3.14Å; F100-Y104 PolarHBondContact O-N 2.8Å |
| 101 | A | 83.8 | Confident | 78.2 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F97 I98 H99 Y104 L105 K180 | F97-A101 HydrophobicContact CZ-CB 4.42Å; F97-A101 WeakPolarHBondContact O-CB 3.23Å; F97-A101 PolarHBondContact O-N 3.12Å; I98-A101 PolarHBondContact O-N 3.32Å; H99-A101 VanDerWaalsContact C-N 3.35Å; H99-A101 PolarHBondContact O-N 3.32Å; A101-Y104 PolarHBondContact O-N 2.92Å; A101-L105 WeakPolarHBondContact O-CB 3.46Å; A101-L105 PolarHBondContact O-N 2.9Å; A101-K180 HydrophobicContact CB-CD 4.38Å; A101-K180 HydrophobicContact CB-CG 4.29Å |
| 102 | N | 78.7 | Confident | 77.2 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.032 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 177.9 | -76.1 | -11.9 | 0 | 0 | 0 | 112.5 | I98 H99 F100 L105 S106 Y117 N120 D124 K180 | I98-N102 WeakPolarHBondContact O-CB 3.43Å; I98-N102 PolarHBondContact O-N 3.25Å; H99-N102 PolarHBondContact O-N 2.84Å; F100-N102 VanDerWaalsContact C-N 3.33Å; F100-N102 PolarHBondContact O-N 3.4Å; N102-L105 PolarHBondContact O-N 3.16Å; N102-S106 PolarHBondContact O-N 3.45Å; N102-S106 VanDerWaalsContact O-N 3.13Å; N102-Y117 HydrophobicContact CB-CE2 4.16Å; N102-N120 VanDerWaalsContact CG-ND2 3.34Å; N102-N120 PolarHBondContact OD1-ND2 3.2Å; N102-D124 PolarHBondContact ND2-OD2 3.16Å; N102-D124 PolarHBondContact OD1-OD2 3.23Å; N102-K180 WeakPolarHBondContact OD1-CE 3.37Å; N102-K180 PolarHBondContact OD1-NZ 2.92Å |
| 103 | V | 77 | Confident | 76.2 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | H99 F100 L105 S106 D107 | H99-V103 WeakPolarHBondContact O-CG2 3.44Å; H99-V103 PolarHBondContact O-N 3.44Å; F100-V103 PolarHBondContact O-N 2.9Å; V103-L105 VanDerWaalsContact C-N 3.32Å; V103-L105 PolarHBondContact O-N 3.32Å; V103-S106 PolarHBondContact O-N 3.09Å; V103-S106 VanDerWaalsContact O-N 3.16Å; V103-S106 PolarHBondContact O-OG 3.41Å; V103-D107 PolarHBondContact O-N 3.42Å |
| 104 | Y | 79.4 | Confident | 75.1 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 62% | 0.62 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 177.1 | -178.6 | -101.8 | 0 | 0 | 0 | 112.5 | F100 A101 S106 D107 L108 | F100-Y104 WeakPolarHBondContact O-CB 3.14Å; F100-Y104 PolarHBondContact O-N 2.8Å; A101-Y104 PolarHBondContact O-N 2.92Å; Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 3.04Å; Y104-D107 PolarHBondContact O-N 3.42Å; Y104-L108 PolarHBondContact O-N 3.1Å |
| 105 | L | 74.8 | Confident | 74.2 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 177 | -167.1 | 79 | 0 | 0 | 0 | 112.5 | A101 N102 V103 D107 L108 T109 N120 I184 L187 | A101-L105 WeakPolarHBondContact O-CB 3.46Å; A101-L105 PolarHBondContact O-N 2.9Å; N102-L105 PolarHBondContact O-N 3.16Å; V103-L105 VanDerWaalsContact C-N 3.32Å; V103-L105 PolarHBondContact O-N 3.32Å; L105-D107 VanDerWaalsContact C-N 3.26Å; L105-D107 PolarHBondContact O-N 3.01Å; L105-L108 PolarHBondContact O-N 3.22Å; L105-T109 PolarHBondContact O-N 3.37Å; L105-T109 PolarHBondContact O-OG1 2.93Å; L105-N120 HydrophobicContact CD2-CB 4.28Å; L105-I184 HydrophobicContact CD1-CD1 4.04Å; L105-I184 HydrophobicContact CD1-CG1 3.86Å; L105-L187 HydrophobicContact CD2-CD1 3.91Å |
| 106 | S | 69.7 | Low | 73.7 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -30 | 178.2 | 71 | 0 | 0 | 0 | 0 | 112.9 | N102 V103 Y104 | N102-S106 PolarHBondContact O-N 3.45Å; N102-S106 VanDerWaalsContact O-N 3.13Å; V103-S106 PolarHBondContact O-N 3.09Å; V103-S106 VanDerWaalsContact O-N 3.16Å; V103-S106 PolarHBondContact O-OG 3.41Å; Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 3.04Å |
| 107 | D | 69.9 | Low | 73 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -75.2 | -30.4 | 176.6 | -163.5 | 50.1 | 0 | 0 | 0 | 112.3 | V103 Y104 L105 | V103-D107 PolarHBondContact O-N 3.42Å; Y104-D107 PolarHBondContact O-N 3.42Å; L105-D107 VanDerWaalsContact C-N 3.26Å; L105-D107 PolarHBondContact O-N 3.01Å |
| 108 | L | 69.1 | Low | 72.3 | Confident | 123 Ų | 123 | 59 Ų | 59 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -81.4 | -13.4 | -177.3 | -166.7 | 60.2 | 0 | 0 | 0 | 113.7 | Y104 L105 | Y104-L108 PolarHBondContact O-N 3.1Å; L105-L108 PolarHBondContact O-N 3.22Å |
| 109 | T | 64.2 | Low | 72 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | trans | -114.5 | 89.7 | -171.7 | -37.3 | 0 | 0 | 0 | 0 | 111.1 | L105 E111 L116 | L105-T109 PolarHBondContact O-N 3.37Å; L105-T109 PolarHBondContact O-OG1 2.93Å; T109-E111 PolarHBondContact O-N 2.8Å; T109-L116 HydrophobicContact CG2-CD1 3.26Å | ||
| 110 | E | 56.6 | Low | 71.9 | Confident | 180 Ų | 180 | 56.4 Ų | 56.4 | 84% | 0.841 | 28% | 0.284 | S | S | * | . | trans | -67.1 | 0.4 | -171.7 | -65.5 | -174.1 | 147.1 | 0 | 0 | 116.4 | ||||
| 111 | E | 57.4 | Low | 71.7 | Confident | 117 Ų | 117 | 52.1 Ų | 52.1 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -113.1 | 116.9 | -176.1 | -65.8 | -179.2 | 163.8 | 0 | 0 | 111.2 | T109 L116 K193 | T109-E111 PolarHBondContact O-N 2.8Å; E111-L116 WeakPolarHBondContact O-CD1 3.4Å; E111-K193 IonicContact OE2-NZ 2.77Å; E111-K193 PolarHBondContact OE2-NZ 3.45Å |
| 112 | D | 64.7 | Low | 71.4 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | 34.4 | 83.8 | -177.3 | -170.5 | 20.2 | 0 | 0 | 0 | 115.9 | G40 C41 C114 S115 L116 | G40-D112 WeakPolarHBondContact CA-OD1 3.32Å; C41-D112 PolarHBondContact N-OD1 2.83Å; D112-C114 VanDerWaalsContact C-N 3.25Å; D112-C114 PolarHBondContact O-N 3.29Å; D112-C114 VanDerWaalsContact O-N 3.16Å; D112-S115 PolarHBondContact O-N 2.83Å; D112-S115 WeakPolarHBondContact OD2-CB 3.32Å; D112-S115 PolarHBondContact OD2-OG 3.25Å; D112-L116 PolarHBondContact O-N 2.97Å | ||
| 113 | P | 65.4 | Low | 71.5 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -28.1 | -171.4 | 25.4 | -35.5 | 0 | 0 | 0 | 113.4 | C41 N43 Y117 | C41-P113 HydrophobicContact CB-CG 4.09Å; C41-P113 WeakPolarHBondContact O-CD 3.03Å; C41-P113 VanDerWaalsContact O-CG 3.27Å; C41-P113 WeakPolarHBondContact O-CG 3.4Å; N43-P113 WeakPolarHBondContact OD1-CG 3.5Å; P113-Y117 WeakPolarHBondContact O-CB 3.35Å; P113-Y117 PolarHBondContact O-N 3.39Å |
| 114 | C | 67.3 | Low | 71.9 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.8 | -48.9 | -178 | -83.7 | 0 | 0 | 0 | 0 | 112.8 | C41 D112 L116 Y117 L118 | C41-C114 HydrophobicContact CB-CB 3.74Å; C41-C114 WeakPolarHBondContact CB-SG 3.37Å; C41-C114 WeakPolarHBondContact SG-CB 3.4Å; C41-C114 CovalentContact SG-SG 2.01Å; C41-C114 PolarHBondContact SG-SG 3.34Å; D112-C114 VanDerWaalsContact C-N 3.25Å; D112-C114 PolarHBondContact O-N 3.29Å; D112-C114 VanDerWaalsContact O-N 3.16Å; C114-L116 PolarHBondContact O-N 3.11Å; C114-Y117 PolarHBondContact O-N 2.82Å; C114-L118 WeakPolarHBondContact O-CB 3.21Å; C114-L118 PolarHBondContact O-N 3.49Å |
| 115 | S | 70 | Confident | 71.9 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | -179.6 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D112 L118 I119 N199 | D112-S115 PolarHBondContact O-N 2.83Å; D112-S115 WeakPolarHBondContact OD2-CB 3.32Å; D112-S115 PolarHBondContact OD2-OG 3.25Å; S115-L118 WeakPolarHBondContact O-CB 3.19Å; S115-L118 PolarHBondContact O-N 3.48Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.13Å; S115-N199 PolarHBondContact OG-ND2 3.01Å; S115-N199 VanDerWaalsContact OG-ND2 3.16Å |
| 116 | L | 74.1 | Confident | 72.2 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.1 | -35.8 | 175.3 | -73.3 | -178.5 | 0 | 0 | 0 | 112.5 | T109 E111 D112 C114 I119 N120 A196 | T109-L116 HydrophobicContact CG2-CD1 3.26Å; E111-L116 WeakPolarHBondContact O-CD1 3.4Å; D112-L116 PolarHBondContact O-N 2.97Å; C114-L116 PolarHBondContact O-N 3.11Å; L116-I119 PolarHBondContact O-N 3.34Å; L116-N120 VanDerWaalsContact O-CB 3.29Å; L116-N120 WeakPolarHBondContact O-CB 3.25Å; L116-N120 PolarHBondContact O-N 3.23Å; L116-A196 HydrophobicContact CD2-CB 4.28Å |
| 117 | Y | 72.8 | Confident | 72.9 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 8% | 0.078 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 172.1 | -173.7 | -88 | 0 | 0 | 0 | 111.7 | L46 N102 P113 C114 I119 N120 F121 L208 M212 | L46-Y117 HydrophobicContact CD1-CD1 4.45Å; L46-Y117 HydrophobicContact CD1-CD2 3.89Å; L46-Y117 HydrophobicContact CD1-CE2 4.45Å; L46-Y117 HydrophobicContact CD1-CG 3.89Å; L46-Y117 HydrophobicContact CD2-CD1 4.26Å; L46-Y117 HydrophobicContact CD2-CD2 3.72Å; L46-Y117 HydrophobicContact CD2-CE1 4.02Å; L46-Y117 HydrophobicContact CD2-CE2 3.4Å; L46-Y117 VanDerWaalsContact CD2-CE2 3.4Å; L46-Y117 HydrophobicContact CD2-CG 4.13Å; L46-Y117 HydrophobicContact CG-CD2 4.46Å; N102-Y117 HydrophobicContact CB-CE2 4.16Å; P113-Y117 WeakPolarHBondContact O-CB 3.35Å; P113-Y117 PolarHBondContact O-N 3.39Å; C114-Y117 PolarHBondContact O-N 2.82Å; Y117-I119 PolarHBondContact O-N 3.33Å; Y117-N120 PolarHBondContact O-N 3.14Å; Y117-F121 HydrophobicContact CE1-CB 4.43Å; Y117-F121 VanDerWaalsContact O-CB 3.3Å; Y117-F121 WeakPolarHBondContact O-CB 3.25Å; Y117-F121 PolarHBondContact O-N 2.93Å; Y117-L208 HydrophobicContact CE1-CD1 4.48Å; Y117-M212 HydrophobicContact CE1-CE 3.53Å; Y117-M212 WeakPolarHBondContact OH-CE 3.35Å |
| 118 | L | 73.3 | Confident | 73.7 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.9 | -51.5 | 173 | 157.3 | 65.2 | 0 | 0 | 0 | 111.1 | C114 S115 F121 L122 E207 V211 | C114-L118 WeakPolarHBondContact O-CB 3.21Å; C114-L118 PolarHBondContact O-N 3.49Å; S115-L118 WeakPolarHBondContact O-CB 3.19Å; S115-L118 PolarHBondContact O-N 3.48Å; L118-F121 PolarHBondContact O-N 3.12Å; L118-L122 HydrophobicContact CD1-CD1 3.58Å; L118-L122 HydrophobicContact CD1-CG 3.88Å; L118-L122 HydrophobicContact CG-CD1 4.33Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 3.49Å; L118-E207 HydrophobicContact CD2-CG 4.49Å; L118-E207 VanDerWaalsContact CD2-OE1 3.29Å; L118-E207 WeakPolarHBondContact CD2-OE1 3.34Å; L118-V211 HydrophobicContact CB-CG2 3.96Å; L118-V211 HydrophobicContact CD1-CB 4.35Å; L118-V211 HydrophobicContact CD1-CG1 4.37Å; L118-V211 HydrophobicContact CD1-CG2 3.11Å; L118-V211 HydrophobicContact CG-CG2 4.04Å |
| 119 | I | 78.4 | Confident | 74.4 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | -179.4 | -65.3 | 166.7 | 0 | 0 | 0 | 110.8 | S115 L116 Y117 F121 L122 L123 L187 W192 A196 | S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 3.34Å; Y117-I119 PolarHBondContact O-N 3.33Å; I119-F121 PolarHBondContact O-N 2.87Å; I119-L122 PolarHBondContact O-N 2.98Å; I119-L123 WeakPolarHBondContact O-CB 3.15Å; I119-L123 PolarHBondContact O-N 2.66Å; I119-L187 HydrophobicContact CG2-CD2 3.77Å; I119-W192 HydrophobicContact CG2-CD2 4.29Å; I119-W192 HydrophobicContact CG2-CE3 3.76Å; I119-W192 HydrophobicContact CG2-CZ3 4.32Å; I119-A196 HydrophobicContact CD1-CB 3.88Å |
| 120 | N | 80.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 177.3 | 174.6 | 54.7 | 0 | 0 | 0 | 111.3 | N102 L105 L116 Y117 L123 D124 K180 L187 | N102-N120 VanDerWaalsContact CG-ND2 3.34Å; N102-N120 PolarHBondContact OD1-ND2 3.2Å; L105-N120 HydrophobicContact CD2-CB 4.28Å; L116-N120 VanDerWaalsContact O-CB 3.29Å; L116-N120 WeakPolarHBondContact O-CB 3.25Å; L116-N120 PolarHBondContact O-N 3.23Å; Y117-N120 PolarHBondContact O-N 3.14Å; N120-L123 PolarHBondContact O-N 3.14Å; N120-D124 PolarHBondContact O-N 3.23Å; N120-K180 PolarHBondContact OD1-NZ 3.46Å; N120-L187 HydrophobicContact CB-CD1 3.79Å; N120-L187 WeakPolarHBondContact OD1-CD1 3.35Å |
| 121 | F | 78.3 | Confident | 76.9 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.3 | -179.6 | -83.4 | 0 | 0 | 0 | 112.3 | Y117 L118 I119 L123 D124 A125 V211 P216 | Y117-F121 HydrophobicContact CE1-CB 4.43Å; Y117-F121 VanDerWaalsContact O-CB 3.3Å; Y117-F121 WeakPolarHBondContact O-CB 3.25Å; Y117-F121 PolarHBondContact O-N 2.93Å; L118-F121 PolarHBondContact O-N 3.12Å; I119-F121 PolarHBondContact O-N 2.87Å; F121-L123 VanDerWaalsContact C-N 3.3Å; F121-L123 PolarHBondContact O-N 2.88Å; F121-D124 PolarHBondContact O-N 3.3Å; F121-A125 HydrophobicContact CE1-CB 4.31Å; F121-A125 WeakPolarHBondContact O-CB 3.28Å; F121-A125 PolarHBondContact O-N 3.03Å; F121-V211 HydrophobicContact CB-CG1 3.66Å; F121-V211 HydrophobicContact CD1-CG1 3.27Å; F121-V211 WeakPolarHBondContact CD1-O 3.28Å; F121-V211 HydrophobicContact CD2-CG1 4.35Å; F121-V211 HydrophobicContact CE1-CG1 4.03Å; F121-V211 WeakPolarHBondContact CE1-O 3.48Å; F121-V211 HydrophobicContact CG-CG1 3.48Å; F121-V211 VanDerWaalsContact CG-CG1 3.48Å; F121-V211 WeakPolarHBondContact CZ-O 3.36Å; F121-P216 HydrophobicContact CE1-CG 3.39Å; F121-P216 HydrophobicContact CZ-CB 4.45Å; F121-P216 HydrophobicContact CZ-CG 3.33Å |
| 122 | L | 77.1 | Confident | 78.3 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 34% | 0.34 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.1 | -74.1 | -179.2 | 0 | 0 | 0 | 111.9 | L118 I119 A125 S126 V215 | L118-L122 HydrophobicContact CD1-CD1 3.58Å; L118-L122 HydrophobicContact CD1-CG 3.88Å; L118-L122 HydrophobicContact CG-CD1 4.33Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 3.49Å; I119-L122 PolarHBondContact O-N 2.98Å; L122-A125 PolarHBondContact O-N 3.44Å; L122-S126 WeakPolarHBondContact O-CB 3.35Å; L122-S126 PolarHBondContact O-N 3.35Å; L122-S126 PolarHBondContact O-OG 3.45Å; L122-V215 HydrophobicContact CD2-CB 4.34Å; L122-V215 HydrophobicContact CD2-CG1 3.58Å |
| 123 | L | 82.6 | Confident | 79.3 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 176.8 | -149.4 | 95.8 | 0 | 0 | 0 | 110.6 | I119 N120 F121 S126 L127 G128 I183 V186 L187 W192 | I119-L123 WeakPolarHBondContact O-CB 3.15Å; I119-L123 PolarHBondContact O-N 2.66Å; N120-L123 PolarHBondContact O-N 3.14Å; F121-L123 VanDerWaalsContact C-N 3.3Å; F121-L123 PolarHBondContact O-N 2.88Å; L123-S126 PolarHBondContact O-N 3.36Å; L123-S126 PolarHBondContact O-OG 3.4Å; L123-L127 HydrophobicContact CD2-CD2 4.3Å; L123-L127 HydrophobicContact CG-CB 4.34Å; L123-L127 HydrophobicContact CG-CD2 4.35Å; L123-L127 WeakPolarHBondContact O-CA 3.47Å; L123-L127 WeakPolarHBondContact O-CB 3.26Å; L123-L127 PolarHBondContact O-N 2.94Å; L123-G128 PolarHBondContact O-N 3.34Å; L123-I183 HydrophobicContact CB-CD1 4.47Å; L123-I183 HydrophobicContact CB-CG2 4.29Å; L123-I183 HydrophobicContact CD2-CB 3.98Å; L123-I183 HydrophobicContact CD2-CD1 3.48Å; L123-I183 VanDerWaalsContact CD2-CD1 3.48Å; L123-I183 HydrophobicContact CD2-CG1 4.24Å; L123-I183 HydrophobicContact CD2-CG2 3.5Å; L123-I183 HydrophobicContact CG-CD1 3.97Å; L123-I183 HydrophobicContact CG-CG2 4.44Å; L123-V186 HydrophobicContact CD1-CG1 4.05Å; L123-V186 HydrophobicContact CD2-CB 3.93Å; L123-V186 HydrophobicContact CD2-CG1 3.8Å; L123-L187 HydrophobicContact CD2-CG 4.5Å; L123-W192 HydrophobicContact CD1-CH2 3.95Å; L123-W192 HydrophobicContact CD1-CZ2 3.97Å |
| 124 | D | 84.4 | Confident | 80.3 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -59 | -46.6 | 174.8 | -72.3 | -22.1 | 0 | 0 | 0 | 111 | N102 N120 F121 S126 G128 M129 K180 I183 | N102-D124 PolarHBondContact ND2-OD2 3.16Å; N102-D124 PolarHBondContact OD1-OD2 3.23Å; N120-D124 PolarHBondContact O-N 3.23Å; F121-D124 PolarHBondContact O-N 3.3Å; D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 2.92Å; D124-G128 CarbonylContact O-C 3.41Å; D124-G128 WeakPolarHBondContact O-CA 2.97Å; D124-G128 PolarHBondContact O-N 3.47Å; D124-M129 PolarHBondContact O-N 3.21Å; D124-K180 IonicContact OD1-NZ 3.34Å; D124-K180 PolarHBondContact OD1-NZ 3.27Å; D124-K180 IonicContact OD2-NZ 3.85Å; D124-K180 PolarHBondContact OD2-NZ 2.87Å; D124-I183 VanDerWaalsContact OD1-CG2 3.28Å; D124-I183 WeakPolarHBondContact OD1-CG2 3.1Å |
| 125 | A | 78.4 | Confident | 81.2 | Confident | 26 Ų | 26 | 41 Ų | 41 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -69.1 | -25.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | F121 L122 M129 | F121-A125 HydrophobicContact CE1-CB 4.31Å; F121-A125 WeakPolarHBondContact O-CB 3.28Å; F121-A125 PolarHBondContact O-N 3.03Å; L122-A125 PolarHBondContact O-N 3.44Å; A125-M129 WeakPolarHBondContact O-CG 3.46Å |
| 126 | S | 81.3 | Confident | 82 | Confident | 68 Ų | 68 | 42.7 Ų | 42.7 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -104.1 | -71.1 | -177.6 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | L122 L123 D124 L130 | L122-S126 WeakPolarHBondContact O-CB 3.35Å; L122-S126 PolarHBondContact O-N 3.35Å; L122-S126 PolarHBondContact O-OG 3.45Å; L123-S126 PolarHBondContact O-N 3.36Å; L123-S126 PolarHBondContact O-OG 3.4Å; D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 2.92Å; S126-L130 PolarHBondContact O-N 3.43Å |
| 127 | L | 85.6 | Confident | 82.5 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -71.5 | -40.2 | -179.8 | -179 | 60.9 | 0 | 0 | 0 | 111.3 | L123 L130 L131 I183 V186 | L123-L127 HydrophobicContact CD2-CD2 4.3Å; L123-L127 HydrophobicContact CG-CB 4.34Å; L123-L127 HydrophobicContact CG-CD2 4.35Å; L123-L127 WeakPolarHBondContact O-CA 3.47Å; L123-L127 WeakPolarHBondContact O-CB 3.26Å; L123-L127 PolarHBondContact O-N 2.94Å; L127-L130 WeakPolarHBondContact O-CB 3.46Å; L127-L130 PolarHBondContact O-N 3.27Å; L127-L130 VanDerWaalsContact O-N 3.16Å; L127-L131 HydrophobicContact CD1-CD1 4.36Å; L127-L131 HydrophobicContact CD1-CG 4.22Å; L127-L131 HydrophobicContact CG-CD1 3.98Å; L127-L131 HydrophobicContact CG-CG 4.28Å; L127-L131 WeakPolarHBondContact O-CG 3.33Å; L127-L131 PolarHBondContact O-N 3.47Å; L127-I183 HydrophobicContact CB-CD1 4.09Å; L127-I183 HydrophobicContact CD2-CD1 4.05Å; L127-I183 HydrophobicContact CG-CD1 4.03Å; L127-V186 HydrophobicContact CD2-CG2 4.36Å |
| 128 | G | 86.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -60.2 | -49.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L123 D124 L130 L131 I132 E179 | L123-G128 PolarHBondContact O-N 3.34Å; D124-G128 CarbonylContact O-C 3.41Å; D124-G128 WeakPolarHBondContact O-CA 2.97Å; D124-G128 PolarHBondContact O-N 3.47Å; G128-L130 VanDerWaalsContact C-N 3.28Å; G128-L130 PolarHBondContact O-N 2.91Å; G128-L131 PolarHBondContact O-N 3.04Å; G128-L131 VanDerWaalsContact O-N 3.12Å; G128-I132 WeakPolarHBondContact O-CG1 3.49Å; G128-I132 PolarHBondContact O-N 2.84Å; G128-E179 WeakPolarHBondContact CA-OE1 3.36Å |
| 129 | M | 83.1 | Confident | 83.8 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 49% | 0.488 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.6 | -40.2 | 172.9 | -73.5 | -61.8 | -65.6 | 0 | 0 | 113.1 | D124 A125 Y133 | D124-M129 PolarHBondContact O-N 3.21Å; A125-M129 WeakPolarHBondContact O-CG 3.46Å; M129-Y133 WeakPolarHBondContact O-CB 3.26Å; M129-Y133 PolarHBondContact O-N 3Å |
| 130 | L | 84.6 | Confident | 84.1 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 56% | 0.56 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.6 | -43.9 | 176.4 | 180 | 65 | 0 | 0 | 0 | 111.9 | S126 L127 G128 Y133 A134 | S126-L130 PolarHBondContact O-N 3.43Å; L127-L130 WeakPolarHBondContact O-CB 3.46Å; L127-L130 PolarHBondContact O-N 3.27Å; L127-L130 VanDerWaalsContact O-N 3.16Å; G128-L130 VanDerWaalsContact C-N 3.28Å; G128-L130 PolarHBondContact O-N 2.91Å; L130-Y133 PolarHBondContact O-N 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.37Å; L130-A134 PolarHBondContact O-N 3.39Å |
| 131 | L | 88.9 | Confident | 84.2 | Confident | 47 Ų | 47 | 55.1 Ų | 55.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 178 | -72.6 | 174.8 | 0 | 0 | 0 | 111.6 | L127 G128 A134 G135 E179 L182 I183 | L127-L131 HydrophobicContact CD1-CD1 4.36Å; L127-L131 HydrophobicContact CD1-CG 4.22Å; L127-L131 HydrophobicContact CG-CD1 3.98Å; L127-L131 HydrophobicContact CG-CG 4.28Å; L127-L131 WeakPolarHBondContact O-CG 3.33Å; L127-L131 PolarHBondContact O-N 3.47Å; G128-L131 PolarHBondContact O-N 3.04Å; G128-L131 VanDerWaalsContact O-N 3.12Å; L131-A134 PolarHBondContact O-N 2.84Å; L131-G135 PolarHBondContact O-N 2.91Å; L131-E179 HydrophobicContact CB-CB 4.26Å; L131-E179 HydrophobicContact CB-CG 3.81Å; L131-E179 HydrophobicContact CD1-CG 4.19Å; L131-L182 HydrophobicContact CD1-CB 4.02Å; L131-L182 HydrophobicContact CD1-CD1 3.91Å; L131-L182 HydrophobicContact CD2-CD1 4.1Å; L131-I183 HydrophobicContact CD1-CD1 4.33Å |
| 132 | I | 87.7 | Confident | 84.6 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.2 | -68.5 | 167.3 | 0 | 0 | 0 | 109.9 | G128 A134 G135 V136 Y172 M176 E179 | G128-I132 WeakPolarHBondContact O-CG1 3.49Å; G128-I132 PolarHBondContact O-N 2.84Å; I132-A134 PolarHBondContact O-N 2.93Å; I132-G135 PolarHBondContact O-N 3.24Å; I132-V136 HydrophobicContact CG2-CG2 4.29Å; I132-V136 WeakPolarHBondContact O-CB 3.27Å; I132-V136 WeakPolarHBondContact O-CG2 3.29Å; I132-V136 PolarHBondContact O-N 3.36Å; I132-Y172 HydrophobicContact CG2-CE2 4.4Å; I132-M176 HydrophobicContact CD1-CG 4.27Å; I132-E179 HydrophobicContact CD1-CG 4.43Å; I132-E179 HydrophobicContact CG1-CB 4.13Å; I132-E179 HydrophobicContact CG1-CG 3.95Å |
| 133 | Y | 84.9 | Confident | 85 | Confident | 131 Ų | 131 | 54.6 Ų | 54.6 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 176.8 | 172.9 | -100.2 | 0 | 0 | 0 | 112.1 | M129 L130 R137 | M129-Y133 WeakPolarHBondContact O-CB 3.26Å; M129-Y133 PolarHBondContact O-N 3Å; L130-Y133 PolarHBondContact O-N 3.24Å; Y133-R137 HydrophobicContact CE1-CG 4.15Å; Y133-R137 HydrophobicContact CE2-CG 4.11Å; Y133-R137 WeakPolarHBondContact O-CB 3.2Å; Y133-R137 VanDerWaalsContact O-CG 3.28Å; Y133-R137 WeakPolarHBondContact O-CG 3.5Å; Y133-R137 PolarHBondContact O-N 3.48Å; Y133-R137 PolarHBondContact OH-NE 3.18Å; Y133-R137 VanDerWaalsContact OH-NE 3.12Å; Y133-R137 PolarHBondContact OH-NH2 2.9Å; Y133-R137 VanDerWaalsContact OH-NH2 3.08Å |
| 134 | A | 85.8 | Confident | 85.1 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L130 L131 I132 R137 T138 | L130-A134 WeakPolarHBondContact O-CB 3.37Å; L130-A134 PolarHBondContact O-N 3.39Å; L131-A134 PolarHBondContact O-N 2.84Å; I132-A134 PolarHBondContact O-N 2.93Å; A134-R137 PolarHBondContact O-N 3.3Å; A134-T138 WeakPolarHBondContact O-CB 3.49Å; A134-T138 PolarHBondContact O-N 3.18Å; A134-T138 PolarHBondContact O-OG1 3.08Å |
| 135 | G | 87 | Confident | 85.1 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -52 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L131 I132 R137 T138 V139 | L131-G135 PolarHBondContact O-N 2.91Å; I132-G135 PolarHBondContact O-N 3.24Å; G135-R137 VanDerWaalsContact C-N 3.31Å; G135-R137 PolarHBondContact O-N 3.48Å; G135-T138 PolarHBondContact O-N 3.12Å; G135-V139 WeakPolarHBondContact O-CB 3.44Å; G135-V139 WeakPolarHBondContact O-CG2 3.47Å; G135-V139 PolarHBondContact O-N 3Å |
| 136 | V | 86.1 | Confident | 85.4 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 24% | 0.242 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | I132 S140 F153 I175 | I132-V136 HydrophobicContact CG2-CG2 4.29Å; I132-V136 WeakPolarHBondContact O-CB 3.27Å; I132-V136 WeakPolarHBondContact O-CG2 3.29Å; I132-V136 PolarHBondContact O-N 3.36Å; V136-S140 VanDerWaalsContact O-CB 3.23Å; V136-S140 WeakPolarHBondContact O-CB 3.29Å; V136-S140 PolarHBondContact O-N 3.15Å; V136-S140 PolarHBondContact O-OG 2.9Å; V136-F153 HydrophobicContact CG1-CD2 4.35Å; V136-F153 HydrophobicContact CG1-CE2 4.29Å; V136-I175 HydrophobicContact CG2-CD1 4.03Å |
| 137 | R | 85.7 | Confident | 85.4 | Confident | 155 Ų | 155 | 76.5 Ų | 76.5 | 59% | 0.585 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 175.4 | -81.4 | -74.3 | -167.6 | 160.1 | -0.2 | 112.6 | Y133 A134 G135 S140 A141 | Y133-R137 HydrophobicContact CE1-CG 4.15Å; Y133-R137 HydrophobicContact CE2-CG 4.11Å; Y133-R137 WeakPolarHBondContact O-CB 3.2Å; Y133-R137 VanDerWaalsContact O-CG 3.28Å; Y133-R137 WeakPolarHBondContact O-CG 3.5Å; Y133-R137 PolarHBondContact O-N 3.48Å; Y133-R137 PolarHBondContact OH-NE 3.18Å; Y133-R137 VanDerWaalsContact OH-NE 3.12Å; Y133-R137 PolarHBondContact OH-NH2 2.9Å; Y133-R137 VanDerWaalsContact OH-NH2 3.08Å; A134-R137 PolarHBondContact O-N 3.3Å; G135-R137 VanDerWaalsContact C-N 3.31Å; G135-R137 PolarHBondContact O-N 3.48Å; R137-S140 PolarHBondContact O-N 3.08Å; R137-A141 WeakPolarHBondContact O-CB 3.37Å; R137-A141 PolarHBondContact O-N 3.06Å |
| 138 | T | 85.4 | Confident | 85 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | A134 G135 S140 A141 I142 | A134-T138 WeakPolarHBondContact O-CB 3.49Å; A134-T138 PolarHBondContact O-N 3.18Å; A134-T138 PolarHBondContact O-OG1 3.08Å; G135-T138 PolarHBondContact O-N 3.12Å; T138-S140 VanDerWaalsContact C-N 3.35Å; T138-S140 PolarHBondContact O-N 2.82Å; T138-A141 PolarHBondContact O-N 3.49Å; T138-I142 HydrophobicContact CG2-CD1 3.93Å; T138-I142 VanDerWaalsContact O-CG1 3.29Å; T138-I142 WeakPolarHBondContact O-CG1 3.44Å; T138-I142 PolarHBondContact O-N 2.85Å |
| 139 | V | 87.6 | Confident | 84.2 | Confident | 29 Ų | 29 | 85.6 Ų | 85.6 | 18% | 0.176 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | G135 A141 I142 V143 F153 L171 I175 | G135-V139 WeakPolarHBondContact O-CB 3.44Å; G135-V139 WeakPolarHBondContact O-CG2 3.47Å; G135-V139 PolarHBondContact O-N 3Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 2.91Å; V139-I142 PolarHBondContact O-N 2.68Å; V139-V143 HydrophobicContact CG1-CG2 4.23Å; V139-V143 WeakPolarHBondContact O-CB 3.48Å; V139-V143 VanDerWaalsContact O-CG2 3.26Å; V139-V143 WeakPolarHBondContact O-CG2 3.28Å; V139-V143 PolarHBondContact O-N 3.01Å; V139-F153 HydrophobicContact CG1-CE2 4.01Å; V139-L171 HydrophobicContact CG1-CD1 4.11Å; V139-L171 HydrophobicContact CG1-CD2 3.43Å; V139-L171 VanDerWaalsContact CG1-CD2 3.43Å; V139-L171 HydrophobicContact CG1-CG 3.87Å; V139-I175 HydrophobicContact CB-CD1 4.17Å; V139-I175 HydrophobicContact CG1-CD1 4.43Å; V139-I175 HydrophobicContact CG2-CD1 3.9Å; V139-I175 HydrophobicContact CG2-CG1 4.16Å |
| 140 | S | 84.3 | Confident | 83.5 | Confident | 37 Ų | 37 | 83.4 Ų | 83.4 | 26% | 0.259 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | V136 R137 T138 V143 E144 F153 | V136-S140 VanDerWaalsContact O-CB 3.23Å; V136-S140 WeakPolarHBondContact O-CB 3.29Å; V136-S140 PolarHBondContact O-N 3.15Å; V136-S140 PolarHBondContact O-OG 2.9Å; R137-S140 PolarHBondContact O-N 3.08Å; T138-S140 VanDerWaalsContact C-N 3.35Å; T138-S140 PolarHBondContact O-N 2.82Å; S140-V143 PolarHBondContact O-N 2.97Å; S140-E144 PolarHBondContact O-N 3.39Å; S140-F153 WeakPolarHBondContact OG-CD2 3.32Å |
| 141 | A | 83.3 | Confident | 82.9 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R137 T138 V139 W145 | R137-A141 WeakPolarHBondContact O-CB 3.37Å; R137-A141 PolarHBondContact O-N 3.06Å; T138-A141 PolarHBondContact O-N 3.49Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 2.91Å; A141-W145 WeakPolarHBondContact O-CB 3.24Å; A141-W145 PolarHBondContact O-N 3.38Å |
| 142 | I | 86.6 | Confident | 82.2 | Confident | 82 Ų | 82 | 82.2 Ų | 82.2 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 175.7 | -68 | 165.6 | 0 | 0 | 0 | 110.7 | T138 V139 E144 W145 R146 | T138-I142 HydrophobicContact CG2-CD1 3.93Å; T138-I142 VanDerWaalsContact O-CG1 3.29Å; T138-I142 WeakPolarHBondContact O-CG1 3.44Å; T138-I142 PolarHBondContact O-N 2.85Å; V139-I142 PolarHBondContact O-N 2.68Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-W145 PolarHBondContact O-N 3.38Å; I142-R146 HydrophobicContact CG2-CG 4.27Å; I142-R146 WeakPolarHBondContact O-CB 3.28Å; I142-R146 WeakPolarHBondContact O-CG 3.35Å; I142-R146 PolarHBondContact O-N 3.39Å |
| 143 | V | 85.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 83.6 Ų | 83.6 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178.4 | 165 | 0 | 0 | 0 | 0 | 110.7 | V139 S140 R146 Q147 W148 L151 R152 | V139-V143 HydrophobicContact CG1-CG2 4.23Å; V139-V143 WeakPolarHBondContact O-CB 3.48Å; V139-V143 VanDerWaalsContact O-CG2 3.26Å; V139-V143 WeakPolarHBondContact O-CG2 3.28Å; V139-V143 PolarHBondContact O-N 3.01Å; S140-V143 PolarHBondContact O-N 2.97Å; V143-R146 CarbonylContact O-C 3.47Å; V143-R146 PolarHBondContact O-N 2.94Å; V143-Q147 PolarHBondContact O-N 2.76Å; V143-W148 HydrophobicContact CG1-CB 4.16Å; V143-W148 WeakPolarHBondContact CG1-O 3.42Å; V143-W148 HydrophobicContact CG2-CE3 4.47Å; V143-W148 PolarHBondContact O-N 3.18Å; V143-L151 HydrophobicContact CG1-CB 4.17Å; V143-L151 HydrophobicContact CG2-CB 4.05Å; V143-R152 HydrophobicContact CG1-CB 4.4Å |
| 144 | E | 83.7 | Confident | 80.3 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 174.4 | -77.9 | -173.4 | 154.1 | 0 | 0 | 111.6 | S140 I142 R146 Q147 R152 | S140-E144 PolarHBondContact O-N 3.39Å; I142-E144 VanDerWaalsContact C-N 3.35Å; E144-R146 VanDerWaalsContact C-N 3.28Å; E144-R146 PolarHBondContact O-N 3.37Å; E144-Q147 PolarHBondContact O-N 3.47Å; E144-Q147 PolarHBondContact O-NE2 3.01Å; E144-R152 IonicContact OE1-CZ 3.55Å; E144-R152 IonicContact OE1-NE 2.76Å; E144-R152 IonicContact OE1-NH2 2.76Å; E144-R152 PolarHBondContact OE1-NH2 3.05Å |
| 145 | W | 85.1 | Confident | 79.5 | Confident | 202 Ų | 202 | 80.7 Ų | 80.7 | 77% | 0.765 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65 | -34 | 178.7 | -174.1 | 43.8 | 0 | 0 | 0 | 112.7 | A141 I142 | A141-W145 WeakPolarHBondContact O-CB 3.24Å; A141-W145 PolarHBondContact O-N 3.38Å; I142-W145 PolarHBondContact O-N 3.38Å |
| 146 | R | 84.8 | Confident | 78.4 | Confident | 149 Ų | 149 | 80.2 Ų | 80.2 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -85.9 | -5.4 | 176.7 | -67.6 | -65.7 | -169.8 | -173 | 0.9 | 114 | I142 V143 E144 W148 | I142-R146 HydrophobicContact CG2-CG 4.27Å; I142-R146 WeakPolarHBondContact O-CB 3.28Å; I142-R146 WeakPolarHBondContact O-CG 3.35Å; I142-R146 PolarHBondContact O-N 3.39Å; V143-R146 CarbonylContact O-C 3.47Å; V143-R146 PolarHBondContact O-N 2.94Å; E144-R146 VanDerWaalsContact C-N 3.28Å; E144-R146 PolarHBondContact O-N 3.37Å; R146-W148 VanDerWaalsContact C-N 3.29Å; R146-W148 HydrophobicContact CB-CD2 4.12Å; R146-W148 HydrophobicContact CB-CG 4.15Å; R146-W148 PolarHBondContact O-N 3Å |
| 147 | Q | 80.6 | Confident | 77.1 | Confident | 140 Ų | 140 | 80.5 Ų | 80.5 | 65% | 0.654 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 43.3 | -176.4 | -60.4 | -74.9 | -84.7 | 0 | 0 | 112.6 | V143 E144 D149 | V143-Q147 PolarHBondContact O-N 2.76Å; E144-Q147 PolarHBondContact O-N 3.47Å; E144-Q147 PolarHBondContact O-NE2 3.01Å; Q147-D149 PolarHBondContact O-N 3.4Å |
| 148 | W | 77.8 | Confident | 75.6 | Confident | 142 Ų | 142 | 82.3 Ų | 82.3 | 54% | 0.538 | 41% | 0.412 | S | S | . | . | trans | -86.9 | 80 | 175.3 | -71.1 | -8.9 | 0 | 0 | 0 | 110.6 | V143 R146 A150 L151 | V143-W148 HydrophobicContact CG1-CB 4.16Å; V143-W148 WeakPolarHBondContact CG1-O 3.42Å; V143-W148 HydrophobicContact CG2-CE3 4.47Å; V143-W148 PolarHBondContact O-N 3.18Å; R146-W148 VanDerWaalsContact C-N 3.29Å; R146-W148 HydrophobicContact CB-CD2 4.12Å; R146-W148 HydrophobicContact CB-CG 4.15Å; R146-W148 PolarHBondContact O-N 3Å; W148-A150 PolarHBondContact O-N 3.14Å; W148-A150 VanDerWaalsContact O-N 3.14Å; W148-L151 HydrophobicContact CB-CB 4.35Å; W148-L151 HydrophobicContact CB-CD1 4.41Å; W148-L151 HydrophobicContact CD2-CD1 4.26Å; W148-L151 HydrophobicContact CE3-CD1 3.54Å; W148-L151 HydrophobicContact CZ3-CD1 4.14Å; W148-L151 PolarHBondContact O-N 3.2Å | ||
| 149 | D | 70.4 | Confident | 74.6 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -57.5 | -32.4 | -174.1 | -61 | -36.6 | 0 | 0 | 0 | 113.2 | Q147 L151 R152 | Q147-D149 PolarHBondContact O-N 3.4Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.37Å; D149-R152 PolarHBondContact O-N 3.32Å |
| 150 | A | 68.3 | Low | 73.7 | Confident | 52 Ų | 52 | 84 Ų | 84 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -69.2 | -22.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W148 A164 Q168 | W148-A150 PolarHBondContact O-N 3.14Å; W148-A150 VanDerWaalsContact O-N 3.14Å; A150-A164 WeakPolarHBondContact O-CB 3.35Å; A150-Q168 PolarHBondContact O-NE2 2.87Å |
| 151 | L | 72.3 | Confident | 73.2 | Confident | 39 Ų | 39 | 86.6 Ų | 86.6 | 20% | 0.204 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -103.2 | 5.8 | -177.6 | -75.6 | 164.7 | 0 | 0 | 0 | 112.7 | V143 W148 D149 F153 L171 | V143-L151 HydrophobicContact CG1-CB 4.17Å; V143-L151 HydrophobicContact CG2-CB 4.05Å; W148-L151 HydrophobicContact CB-CB 4.35Å; W148-L151 HydrophobicContact CB-CD1 4.41Å; W148-L151 HydrophobicContact CD2-CD1 4.26Å; W148-L151 HydrophobicContact CE3-CD1 3.54Å; W148-L151 HydrophobicContact CZ3-CD1 4.14Å; W148-L151 PolarHBondContact O-N 3.2Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.37Å; L151-F153 PolarHBondContact O-N 3.44Å; L151-L171 HydrophobicContact CD2-CD2 4.07Å |
| 152 | R | 73.8 | Confident | 73 | Confident | 90 Ų | 90 | 88.7 Ų | 88.7 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | trans | -73 | 113.7 | -179.2 | -158.8 | 174.8 | -169.1 | -168.2 | 6.4 | 110.2 | V143 E144 D149 G154 E155 Q168 | V143-R152 HydrophobicContact CG1-CB 4.4Å; E144-R152 IonicContact OE1-CZ 3.55Å; E144-R152 IonicContact OE1-NE 2.76Å; E144-R152 IonicContact OE1-NH2 2.76Å; E144-R152 PolarHBondContact OE1-NH2 3.05Å; D149-R152 PolarHBondContact O-N 3.32Å; R152-G154 PolarHBondContact O-N 3.38Å; R152-E155 IonicContact CZ-OE1 2.97Å; R152-E155 IonicContact NE-OE1 3.62Å; R152-E155 IonicContact NH1-OE1 3.73Å; R152-E155 PolarHBondContact NH1-OE1 3.39Å; R152-E155 IonicContact NH1-OE2 3.98Å; R152-E155 PolarHBondContact O-N 3.48Å; R152-E155 VanDerWaalsContact O-N 3.12Å; R152-Q168 PolarHBondContact O-NE2 2.94Å | ||
| 153 | F | 70.9 | Confident | 72.6 | Confident | 59 Ų | 59 | 90 Ų | 90 | 26% | 0.259 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 124 | -176.4 | -78 | -75.5 | 0 | 0 | 0 | 112 | V136 V139 S140 L151 L171 I175 | V136-F153 HydrophobicContact CG1-CD2 4.35Å; V136-F153 HydrophobicContact CG1-CE2 4.29Å; V139-F153 HydrophobicContact CG1-CE2 4.01Å; S140-F153 WeakPolarHBondContact OG-CD2 3.32Å; L151-F153 PolarHBondContact O-N 3.44Å; F153-L171 HydrophobicContact CZ-CD2 4.45Å; F153-I175 HydrophobicContact CZ-CD1 4.3Å |
| 154 | G | 61.9 | Low | 72.3 | Confident | 16 Ų | 16 | 89.9 Ų | 89.9 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -1.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R152 | R152-G154 PolarHBondContact O-N 3.38Š|
| 155 | E | 68.5 | Low | 72.4 | Confident | 96 Ų | 96 | 88.2 Ų | 88.2 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | trans | -112.3 | 121.8 | 169.4 | -67.7 | 177.8 | -161.8 | 0 | 0 | 108.7 | R152 Q168 | R152-E155 IonicContact CZ-OE1 2.97Å; R152-E155 IonicContact NE-OE1 3.62Å; R152-E155 IonicContact NH1-OE1 3.73Å; R152-E155 PolarHBondContact NH1-OE1 3.39Å; R152-E155 IonicContact NH1-OE2 3.98Å; R152-E155 PolarHBondContact O-N 3.48Å; R152-E155 VanDerWaalsContact O-N 3.12Å; E155-Q168 PolarHBondContact O-NE2 2.95Å | ||
| 156 | Y | 64 | Low | 72.4 | Confident | 10 Ų | 10 | 80.9 Ų | 80.9 | 4% | 0.039 | 43% | 0.426 | C | S | . | . | trans | -113.6 | 5.7 | -176.1 | -62.1 | -72.9 | 0 | 0 | 0 | 113.8 | I83 L86 D87 K90 Q161 W165 Q168 | I83-Y156 HydrophobicContact CG1-CD2 4.36Å; I83-Y156 HydrophobicContact CG2-CD2 4.09Å; I83-Y156 HydrophobicContact CG2-CE2 3.9Å; L86-Y156 HydrophobicContact CD1-CG 4.44Å; D87-Y156 WeakPolarHBondContact OD1-CE2 3.25Å; D87-Y156 VanDerWaalsContact OD1-CZ 3.3Å; D87-Y156 PolarHBondContact OD1-OH 3.23Å; K90-Y156 WeakPolarHBondContact CE-OH 2.85Å; K90-Y156 PolarHBondContact NZ-OH 3.24Å; Y156-Q161 PolarHBondContact O-N 3.41Å; Y156-W165 HydrophobicContact CD1-CB 4.11Å; Y156-W165 HydrophobicContact CE1-CB 4.36Å; Y156-Q168 PolarHBondContact OH-OE1 3.26Å | ||
| 157 | G | 59.6 | Low | 72.5 | Confident | 45 Ų | 45 | 75 Ų | 75 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 163.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P159 V160 | G157-P159 CarbonylContact C-O 3.57Å; G157-P159 CarbonylContact O-C 3.29Å; G157-P159 VanDerWaalsContact O-C 3.29Å; G157-V160 PolarHBondContact O-N 2.89Å |
| 158 | E | 53.2 | Low | 72.8 | Confident | 194 Ų | 194 | 68.3 Ų | 68.3 | 91% | 0.907 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | 105.5 | 176.5 | -153.5 | 110 | -110.9 | 0 | 0 | 107.8 | ||
| 159 | P | 65.4 | Low | 73.3 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 69% | 0.688 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -73.7 | 160.1 | 1.8 | 32.3 | -36.4 | 0 | 0 | 0 | 113.6 | G157 Q161 | G157-P159 CarbonylContact C-O 3.57Å; G157-P159 CarbonylContact O-C 3.29Å; G157-P159 VanDerWaalsContact O-C 3.29Å; P159-Q161 WeakPolarHBondContact O-CG 3.41Å; P159-Q161 PolarHBondContact O-N 2.92Å |
| 160 | V | 68.1 | Low | 74.3 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 113 | 179 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L86 G157 C162 | L86-V160 HydrophobicContact CD1-CG1 3.73Å; G157-V160 PolarHBondContact O-N 2.89Å; V160-C162 PolarHBondContact O-N 3.27Å |
| 161 | Q | 74 | Confident | 75.3 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | trans | -85.2 | 111 | 178.1 | -60.6 | -175.4 | 5.5 | 0 | 0 | 109.3 | Y156 P159 T163 A164 W165 | Y156-Q161 PolarHBondContact O-N 3.41Å; P159-Q161 WeakPolarHBondContact O-CG 3.41Å; P159-Q161 PolarHBondContact O-N 2.92Å; Q161-T163 PolarHBondContact O-N 3.48Å; Q161-A164 HydrophobicContact CB-CB 3.86Å; Q161-A164 WeakPolarHBondContact O-CB 3.23Å; Q161-A164 PolarHBondContact O-N 2.82Å; Q161-W165 PolarHBondContact O-N 3.39Å; Q161-W165 VanDerWaalsContact O-N 3.08Å | ||
| 162 | C | 77.8 | Confident | 76.1 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.6 | -30.4 | 175.6 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | V160 A166 | V160-C162 PolarHBondContact O-N 3.27Å; C162-A166 VanDerWaalsContact O-CB 3.28Å; C162-A166 WeakPolarHBondContact O-CB 3.35Å; C162-A166 PolarHBondContact O-N 3.1Å |
| 163 | T | 79.2 | Confident | 77 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 175.5 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | Q161 A166 G167 | Q161-T163 PolarHBondContact O-N 3.48Å; T163-A166 PolarHBondContact O-N 3.07Å; T163-G167 PolarHBondContact O-N 3.08Å |
| 164 | A | 79.9 | Confident | 78 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | A150 Q161 G167 Q168 | A150-A164 WeakPolarHBondContact O-CB 3.35Å; Q161-A164 HydrophobicContact CB-CB 3.86Å; Q161-A164 WeakPolarHBondContact O-CB 3.23Å; Q161-A164 PolarHBondContact O-N 2.82Å; A164-G167 PolarHBondContact O-N 3.37Å; A164-Q168 WeakPolarHBondContact O-CB 3.48Å; A164-Q168 VanDerWaalsContact O-CG 3.29Å; A164-Q168 WeakPolarHBondContact O-CG 3.23Å; A164-Q168 PolarHBondContact O-N 3.49Å |
| 165 | W | 84.9 | Confident | 79.4 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 173.7 | 176.5 | 86.8 | 0 | 0 | 0 | 112.2 | L86 K90 I93 Y156 Q161 G167 Q168 C169 | L86-W165 HydrophobicContact CD2-CD2 4.42Å; L86-W165 HydrophobicContact CD2-CG 4.03Å; L86-W165 PolarHBondContact O-NE1 2.77Å; L86-W165 VanDerWaalsContact O-NE1 3.1Å; K90-W165 HydrophobicContact CG-CZ2 4.36Å; K90-W165 VanDerWaalsContact NZ-CD1 3.25Å; I93-W165 HydrophobicContact CD1-CH2 3.96Å; I93-W165 HydrophobicContact CD1-CZ2 4.08Å; Y156-W165 HydrophobicContact CD1-CB 4.11Å; Y156-W165 HydrophobicContact CE1-CB 4.36Å; Q161-W165 PolarHBondContact O-N 3.39Å; Q161-W165 VanDerWaalsContact O-N 3.08Å; W165-G167 VanDerWaalsContact C-N 3.34Å; W165-G167 PolarHBondContact O-N 3.48Å; W165-Q168 PolarHBondContact O-N 2.89Å; W165-C169 VanDerWaalsContact O-CB 3.29Å; W165-C169 WeakPolarHBondContact O-CB 3.46Å; W165-C169 PolarHBondContact O-N 3.3Å |
| 166 | A | 85.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C162 T163 C169 A170 | C162-A166 VanDerWaalsContact O-CB 3.28Å; C162-A166 WeakPolarHBondContact O-CB 3.35Å; C162-A166 PolarHBondContact O-N 3.1Å; T163-A166 PolarHBondContact O-N 3.07Å; A166-C169 PolarHBondContact O-N 2.66Å; A166-A170 VanDerWaalsContact O-CB 3.28Å; A166-A170 WeakPolarHBondContact O-CB 3.44Å; A166-A170 PolarHBondContact O-N 3.39Å |
| 167 | G | 86.5 | Confident | 81.7 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T163 A164 W165 C169 A170 L171 | T163-G167 PolarHBondContact O-N 3.08Å; A164-G167 PolarHBondContact O-N 3.37Å; W165-G167 VanDerWaalsContact C-N 3.34Å; W165-G167 PolarHBondContact O-N 3.48Å; G167-C169 VanDerWaalsContact C-N 3.34Å; G167-C169 PolarHBondContact O-N 3.49Å; G167-A170 PolarHBondContact O-N 3.35Å; G167-L171 VanDerWaalsContact O-CB 3.3Å; G167-L171 WeakPolarHBondContact O-CB 3.35Å; G167-L171 PolarHBondContact O-N 2.94Å |
| 168 | Q | 86.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 175.8 | -70.3 | 178.4 | 31.2 | 0 | 0 | 111.9 | A150 R152 E155 Y156 A164 W165 Y172 | A150-Q168 PolarHBondContact O-NE2 2.87Å; R152-Q168 PolarHBondContact O-NE2 2.94Å; E155-Q168 PolarHBondContact O-NE2 2.95Å; Y156-Q168 PolarHBondContact OH-OE1 3.26Å; A164-Q168 WeakPolarHBondContact O-CB 3.48Å; A164-Q168 VanDerWaalsContact O-CG 3.29Å; A164-Q168 WeakPolarHBondContact O-CG 3.23Å; A164-Q168 PolarHBondContact O-N 3.49Å; W165-Q168 PolarHBondContact O-N 2.89Å; Q168-Y172 VanDerWaalsContact O-CB 3.29Å; Q168-Y172 WeakPolarHBondContact O-CB 3.01Å; Q168-Y172 PolarHBondContact O-N 3.07Å |
| 169 | C | 89.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 8% | 0.081 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 175.1 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | K90 W165 A166 G167 L171 Y172 I173 | K90-C169 HydrophobicContact CD-CB 4.38Å; K90-C169 HydrophobicContact CG-CB 4.05Å; W165-C169 VanDerWaalsContact O-CB 3.29Å; W165-C169 WeakPolarHBondContact O-CB 3.46Å; W165-C169 PolarHBondContact O-N 3.3Å; A166-C169 PolarHBondContact O-N 2.66Å; G167-C169 VanDerWaalsContact C-N 3.34Å; G167-C169 PolarHBondContact O-N 3.49Å; C169-L171 VanDerWaalsContact C-N 3.34Å; C169-L171 PolarHBondContact O-N 2.86Å; C169-Y172 WeakPolarHBondContact O-CB 3.35Å; C169-Y172 PolarHBondContact O-N 2.87Å; C169-I173 VanDerWaalsContact O-CG1 3.31Å; C169-I173 WeakPolarHBondContact O-CG1 3.31Å; C169-I173 PolarHBondContact O-N 3.27Å |
| 170 | A | 90.4 | Very high | 86.2 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 45% | 0.446 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A166 G167 Y172 I173 L174 | A166-A170 VanDerWaalsContact O-CB 3.28Å; A166-A170 WeakPolarHBondContact O-CB 3.44Å; A166-A170 PolarHBondContact O-N 3.39Å; G167-A170 PolarHBondContact O-N 3.35Å; A170-Y172 VanDerWaalsContact C-N 3.34Å; A170-Y172 PolarHBondContact O-N 3.12Å; A170-I173 PolarHBondContact O-N 2.92Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 3.46Å |
| 171 | L | 89.9 | Confident | 87.3 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176 | -173.3 | 57.3 | 0 | 0 | 0 | 112 | V139 L151 F153 G167 C169 L174 I175 | V139-L171 HydrophobicContact CG1-CD1 4.11Å; V139-L171 HydrophobicContact CG1-CD2 3.43Å; V139-L171 VanDerWaalsContact CG1-CD2 3.43Å; V139-L171 HydrophobicContact CG1-CG 3.87Å; L151-L171 HydrophobicContact CD2-CD2 4.07Å; F153-L171 HydrophobicContact CZ-CD2 4.45Å; G167-L171 VanDerWaalsContact O-CB 3.3Å; G167-L171 WeakPolarHBondContact O-CB 3.35Å; G167-L171 PolarHBondContact O-N 2.94Å; C169-L171 VanDerWaalsContact C-N 3.34Å; C169-L171 PolarHBondContact O-N 2.86Å; L171-L174 PolarHBondContact O-N 3.35Å; L171-I175 WeakPolarHBondContact O-CG1 3.29Å; L171-I175 PolarHBondContact O-N 3.39Å |
| 172 | Y | 89.2 | Confident | 88.1 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 18% | 0.184 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 173.7 | -178.2 | -121 | 0 | 0 | 0 | 111.8 | I132 Q168 C169 A170 L174 I175 M176 | I132-Y172 HydrophobicContact CG2-CE2 4.4Å; Q168-Y172 VanDerWaalsContact O-CB 3.29Å; Q168-Y172 WeakPolarHBondContact O-CB 3.01Å; Q168-Y172 PolarHBondContact O-N 3.07Å; C169-Y172 WeakPolarHBondContact O-CB 3.35Å; C169-Y172 PolarHBondContact O-N 2.87Å; A170-Y172 VanDerWaalsContact C-N 3.34Å; A170-Y172 PolarHBondContact O-N 3.12Å; Y172-L174 VanDerWaalsContact C-N 3.34Å; Y172-L174 PolarHBondContact O-N 3.16Å; Y172-I175 PolarHBondContact O-N 2.74Å; Y172-M176 HydrophobicContact CD1-CE 3.19Å; Y172-M176 HydrophobicContact CD1-SD 4.23Å; Y172-M176 HydrophobicContact CD2-CE 4.36Å; Y172-M176 HydrophobicContact CE1-CE 3.1Å; Y172-M176 HydrophobicContact CE1-SD 3.57Å; Y172-M176 VanDerWaalsContact CE1-SD 3.57Å; Y172-M176 HydrophobicContact CE2-CE 4.3Å; Y172-M176 HydrophobicContact CE2-CG 4.43Å; Y172-M176 HydrophobicContact CE2-SD 4.28Å; Y172-M176 HydrophobicContact CG-CE 3.84Å; Y172-M176 VanDerWaalsContact CZ-SD 3.58Å; Y172-M176 WeakPolarHBondContact O-CE 3.45Å; Y172-M176 PolarHBondContact O-N 2.99Å |
| 173 | I | 91.6 | Very high | 88.7 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.195 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 174.3 | -67.8 | -77.1 | 0 | 0 | 0 | 111.2 | I93 F97 C169 A170 I175 M176 M177 | I93-I173 HydrophobicContact CG2-CD1 3.91Å; I93-I173 HydrophobicContact CG2-CG1 4.49Å; F97-I173 HydrophobicContact CB-CD1 4.04Å; F97-I173 HydrophobicContact CG-CD1 4.26Å; C169-I173 VanDerWaalsContact O-CG1 3.31Å; C169-I173 WeakPolarHBondContact O-CG1 3.31Å; C169-I173 PolarHBondContact O-N 3.27Å; A170-I173 PolarHBondContact O-N 2.92Å; I173-I175 VanDerWaalsContact C-N 3.34Å; I173-I175 PolarHBondContact O-N 2.88Å; I173-M176 HydrophobicContact CD1-CE 3.52Å; I173-M176 HydrophobicContact CG1-CE 4.08Å; I173-M176 PolarHBondContact O-N 3.44Å; I173-M177 HydrophobicContact CG2-CG 4.27Å; I173-M177 WeakPolarHBondContact O-CB 3.49Å; I173-M177 VanDerWaalsContact O-CG 3.27Å; I173-M177 WeakPolarHBondContact O-CG 3.43Å; I173-M177 PolarHBondContact O-N 3.16Å |
| 174 | L | 92.2 | Very high | 89 | Confident | 113 Ų | 113 | 41.5 Ų | 41.5 | 59% | 0.592 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.3 | -39.8 | 174.9 | -73.4 | 172.4 | 0 | 0 | 0 | 112.5 | A170 L171 Y172 M177 F178 | A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 3.46Å; L171-L174 PolarHBondContact O-N 3.35Å; Y172-L174 VanDerWaalsContact C-N 3.34Å; Y172-L174 PolarHBondContact O-N 3.16Å; L174-M177 PolarHBondContact O-N 3.36Å; L174-F178 WeakPolarHBondContact O-CB 3.22Å; L174-F178 PolarHBondContact O-N 2.79Å |
| 175 | I | 90.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 174.2 | -66.7 | 164.4 | 0 | 0 | 0 | 110.2 | V136 V139 F153 L171 Y172 I173 F178 E179 | V136-I175 HydrophobicContact CG2-CD1 4.03Å; V139-I175 HydrophobicContact CB-CD1 4.17Å; V139-I175 HydrophobicContact CG1-CD1 4.43Å; V139-I175 HydrophobicContact CG2-CD1 3.9Å; V139-I175 HydrophobicContact CG2-CG1 4.16Å; F153-I175 HydrophobicContact CZ-CD1 4.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.29Å; L171-I175 PolarHBondContact O-N 3.39Å; Y172-I175 PolarHBondContact O-N 2.74Å; I173-I175 VanDerWaalsContact C-N 3.34Å; I173-I175 PolarHBondContact O-N 2.88Å; I175-F178 PolarHBondContact O-N 3.21Å; I175-E179 WeakPolarHBondContact O-CB 3.46Å; I175-E179 PolarHBondContact O-N 3.43Å |
| 176 | M | 90.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 177.1 | -73.1 | -177 | -69.8 | 0 | 0 | 112.4 | G94 F97 I98 I132 Y172 I173 F178 E179 K180 | G94-M176 VanDerWaalsContact CA-CE 3.42Å; G94-M176 VanDerWaalsContact CA-SD 3.6Å; F97-M176 HydrophobicContact CD1-CB 4.36Å; F97-M176 HydrophobicContact CE1-CB 4.43Å; I98-M176 HydrophobicContact CD1-CB 4.49Å; I132-M176 HydrophobicContact CD1-CG 4.27Å; Y172-M176 HydrophobicContact CD1-CE 3.19Å; Y172-M176 HydrophobicContact CD1-SD 4.23Å; Y172-M176 HydrophobicContact CD2-CE 4.36Å; Y172-M176 HydrophobicContact CE1-CE 3.1Å; Y172-M176 HydrophobicContact CE1-SD 3.57Å; Y172-M176 VanDerWaalsContact CE1-SD 3.57Å; Y172-M176 HydrophobicContact CE2-CE 4.3Å; Y172-M176 HydrophobicContact CE2-CG 4.43Å; Y172-M176 HydrophobicContact CE2-SD 4.28Å; Y172-M176 HydrophobicContact CG-CE 3.84Å; Y172-M176 VanDerWaalsContact CZ-SD 3.58Å; Y172-M176 WeakPolarHBondContact O-CE 3.45Å; Y172-M176 PolarHBondContact O-N 2.99Å; I173-M176 HydrophobicContact CD1-CE 3.52Å; I173-M176 HydrophobicContact CG1-CE 4.08Å; I173-M176 PolarHBondContact O-N 3.44Å; M176-F178 VanDerWaalsContact C-N 3.35Å; M176-F178 PolarHBondContact O-N 2.92Å; M176-E179 PolarHBondContact O-N 3.48Å; M176-K180 WeakPolarHBondContact O-CB 3.3Å; M176-K180 PolarHBondContact O-N 3.46Å |
| 177 | M | 91 | Very high | 89.3 | Confident | 81 Ų | 81 | 44.8 Ų | 44.8 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 172.8 | -75.7 | -72.1 | -40.2 | 0 | 0 | 111.1 | F97 I173 L174 K180 V181 | F97-M177 HydrophobicContact CE1-CG 4.41Å; F97-M177 HydrophobicContact CE1-SD 3.98Å; F97-M177 HydrophobicContact CE2-CG 4.44Å; F97-M177 HydrophobicContact CE2-SD 3.35Å; F97-M177 WeakPolarHBondContact CE2-SD 3.28Å; F97-M177 HydrophobicContact CZ-CE 4.37Å; F97-M177 HydrophobicContact CZ-CG 3.97Å; F97-M177 HydrophobicContact CZ-SD 3.03Å; F97-M177 WeakPolarHBondContact CZ-SD 3.43Å; I173-M177 HydrophobicContact CG2-CG 4.27Å; I173-M177 WeakPolarHBondContact O-CB 3.49Å; I173-M177 VanDerWaalsContact O-CG 3.27Å; I173-M177 WeakPolarHBondContact O-CG 3.43Å; I173-M177 PolarHBondContact O-N 3.16Å; L174-M177 PolarHBondContact O-N 3.36Å; M177-K180 PolarHBondContact O-N 3.04Å; M177-V181 VanDerWaalsContact O-CG2 3.32Å; M177-V181 WeakPolarHBondContact O-CG2 3.17Å; M177-V181 PolarHBondContact O-N 3.31Å |
| 178 | F | 92.6 | Very high | 89.1 | Confident | 130 Ų | 130 | 49.7 Ų | 49.7 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 179.3 | 173.9 | -101.3 | 0 | 0 | 0 | 111.6 | L174 I175 M176 V181 L182 | L174-F178 WeakPolarHBondContact O-CB 3.22Å; L174-F178 PolarHBondContact O-N 2.79Å; I175-F178 PolarHBondContact O-N 3.21Å; M176-F178 VanDerWaalsContact C-N 3.35Å; M176-F178 PolarHBondContact O-N 2.92Å; F178-V181 PolarHBondContact O-N 3.38Å; F178-L182 HydrophobicContact CD1-CD1 4.09Å; F178-L182 HydrophobicContact CE1-CD1 3.41Å; F178-L182 VanDerWaalsContact CE1-CD1 3.41Å; F178-L182 HydrophobicContact CE1-CG 4.17Å; F178-L182 HydrophobicContact CE2-CD1 4.41Å; F178-L182 HydrophobicContact CE2-CG 4.44Å; F178-L182 HydrophobicContact CZ-CD1 3.61Å; F178-L182 HydrophobicContact CZ-CD2 4.34Å; F178-L182 HydrophobicContact CZ-CG 4.09Å; F178-L182 WeakPolarHBondContact O-CG 3.48Å; F178-L182 PolarHBondContact O-N 3.4Å; F178-L182 VanDerWaalsContact O-N 3.1Å |
| 179 | E | 92.1 | Very high | 89 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 174.1 | 171.8 | -90.2 | 169.3 | 0 | 0 | 111.2 | G128 L131 I132 I175 M176 V181 L182 I183 | G128-E179 WeakPolarHBondContact CA-OE1 3.36Å; L131-E179 HydrophobicContact CB-CB 4.26Å; L131-E179 HydrophobicContact CB-CG 3.81Å; L131-E179 HydrophobicContact CD1-CG 4.19Å; I132-E179 HydrophobicContact CD1-CG 4.43Å; I132-E179 HydrophobicContact CG1-CB 4.13Å; I132-E179 HydrophobicContact CG1-CG 3.95Å; I175-E179 WeakPolarHBondContact O-CB 3.46Å; I175-E179 PolarHBondContact O-N 3.43Å; M176-E179 PolarHBondContact O-N 3.48Å; E179-V181 VanDerWaalsContact C-N 3.29Å; E179-V181 PolarHBondContact O-N 2.91Å; E179-L182 WeakPolarHBondContact O-CA 3.41Å; E179-L182 WeakPolarHBondContact O-CB 3.34Å; E179-L182 PolarHBondContact O-N 3.48Å; E179-I183 HydrophobicContact CG-CG1 4.35Å; E179-I183 WeakPolarHBondContact O-CG1 3.29Å; E179-I183 PolarHBondContact O-N 3.27Å; E179-I183 VanDerWaalsContact OE1-CG1 3.26Å; E179-I183 WeakPolarHBondContact OE1-CG1 3.43Å |
| 180 | K | 89 | Confident | 88.4 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 179.6 | -165 | 72.7 | -151.3 | 160.9 | 0 | 112.6 | I98 A101 N102 N120 D124 M176 M177 L182 I183 I184 | I98-K180 HydrophobicContact CD1-CD 4.15Å; A101-K180 HydrophobicContact CB-CD 4.38Å; A101-K180 HydrophobicContact CB-CG 4.29Å; N102-K180 WeakPolarHBondContact OD1-CE 3.37Å; N102-K180 PolarHBondContact OD1-NZ 2.92Å; N120-K180 PolarHBondContact OD1-NZ 3.46Å; D124-K180 IonicContact OD1-NZ 3.34Å; D124-K180 PolarHBondContact OD1-NZ 3.27Å; D124-K180 IonicContact OD2-NZ 3.85Å; D124-K180 PolarHBondContact OD2-NZ 2.87Å; M176-K180 WeakPolarHBondContact O-CB 3.3Å; M176-K180 PolarHBondContact O-N 3.46Å; M177-K180 PolarHBondContact O-N 3.04Å; K180-L182 VanDerWaalsContact C-N 3.33Å; K180-L182 PolarHBondContact O-N 3.42Å; K180-I183 PolarHBondContact O-N 2.93Å; K180-I184 HydrophobicContact CG-CD1 4.23Å; K180-I184 VanDerWaalsContact O-CG1 3.26Å; K180-I184 WeakPolarHBondContact O-CG1 3.41Å; K180-I184 PolarHBondContact O-N 2.81Å |
| 181 | V | 90.2 | Very high | 87.7 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | M177 F178 E179 I184 L185 | M177-V181 VanDerWaalsContact O-CG2 3.32Å; M177-V181 WeakPolarHBondContact O-CG2 3.17Å; M177-V181 PolarHBondContact O-N 3.31Å; F178-V181 PolarHBondContact O-N 3.38Å; E179-V181 VanDerWaalsContact C-N 3.29Å; E179-V181 PolarHBondContact O-N 2.91Å; V181-I184 PolarHBondContact O-N 3.27Å; V181-L185 WeakPolarHBondContact O-CB 3.31Å; V181-L185 PolarHBondContact O-N 2.77Å |
| 182 | L | 91.5 | Very high | 87 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.8 | -68.1 | -178.2 | 0 | 0 | 0 | 112.2 | L131 F178 E179 K180 L185 V186 | L131-L182 HydrophobicContact CD1-CB 4.02Å; L131-L182 HydrophobicContact CD1-CD1 3.91Å; L131-L182 HydrophobicContact CD2-CD1 4.1Å; F178-L182 HydrophobicContact CD1-CD1 4.09Å; F178-L182 HydrophobicContact CE1-CD1 3.41Å; F178-L182 VanDerWaalsContact CE1-CD1 3.41Å; F178-L182 HydrophobicContact CE1-CG 4.17Å; F178-L182 HydrophobicContact CE2-CD1 4.41Å; F178-L182 HydrophobicContact CE2-CG 4.44Å; F178-L182 HydrophobicContact CZ-CD1 3.61Å; F178-L182 HydrophobicContact CZ-CD2 4.34Å; F178-L182 HydrophobicContact CZ-CG 4.09Å; F178-L182 WeakPolarHBondContact O-CG 3.48Å; F178-L182 PolarHBondContact O-N 3.4Å; F178-L182 VanDerWaalsContact O-N 3.1Å; E179-L182 WeakPolarHBondContact O-CA 3.41Å; E179-L182 WeakPolarHBondContact O-CB 3.34Å; E179-L182 PolarHBondContact O-N 3.48Å; K180-L182 VanDerWaalsContact C-N 3.33Å; K180-L182 PolarHBondContact O-N 3.42Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 3.46Å; L182-V186 WeakPolarHBondContact O-CG2 3.26Å; L182-V186 PolarHBondContact O-N 2.86Å |
| 183 | I | 89 | Confident | 86 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 175 | -63.7 | -58.6 | 0 | 0 | 0 | 110.3 | L123 D124 L127 L131 E179 K180 L185 V186 L187 | L123-I183 HydrophobicContact CB-CD1 4.47Å; L123-I183 HydrophobicContact CB-CG2 4.29Å; L123-I183 HydrophobicContact CD2-CB 3.98Å; L123-I183 HydrophobicContact CD2-CD1 3.48Å; L123-I183 VanDerWaalsContact CD2-CD1 3.48Å; L123-I183 HydrophobicContact CD2-CG1 4.24Å; L123-I183 HydrophobicContact CD2-CG2 3.5Å; L123-I183 HydrophobicContact CG-CD1 3.97Å; L123-I183 HydrophobicContact CG-CG2 4.44Å; D124-I183 VanDerWaalsContact OD1-CG2 3.28Å; D124-I183 WeakPolarHBondContact OD1-CG2 3.1Å; L127-I183 HydrophobicContact CB-CD1 4.09Å; L127-I183 HydrophobicContact CD2-CD1 4.05Å; L127-I183 HydrophobicContact CG-CD1 4.03Å; L131-I183 HydrophobicContact CD1-CD1 4.33Å; E179-I183 HydrophobicContact CG-CG1 4.35Å; E179-I183 WeakPolarHBondContact O-CG1 3.29Å; E179-I183 PolarHBondContact O-N 3.27Å; E179-I183 VanDerWaalsContact OE1-CG1 3.26Å; E179-I183 WeakPolarHBondContact OE1-CG1 3.43Å; K180-I183 PolarHBondContact O-N 2.93Å; I183-L185 VanDerWaalsContact C-N 3.34Å; I183-L185 PolarHBondContact O-N 3.02Å; I183-V186 PolarHBondContact O-N 3.22Å; I183-V186 VanDerWaalsContact O-N 3.15Å; I183-L187 HydrophobicContact CG2-CD1 4.14Å; I183-L187 WeakPolarHBondContact O-CG 3.32Å; I183-L187 PolarHBondContact O-N 3.47Å |
| 184 | I | 85.8 | Confident | 85 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 176.2 | -69.3 | 168.3 | 0 | 0 | 0 | 110.7 | L105 K180 V181 V186 L187 L188 | L105-I184 HydrophobicContact CD1-CD1 4.04Å; L105-I184 HydrophobicContact CD1-CG1 3.86Å; K180-I184 HydrophobicContact CG-CD1 4.23Å; K180-I184 VanDerWaalsContact O-CG1 3.26Å; K180-I184 WeakPolarHBondContact O-CG1 3.41Å; K180-I184 PolarHBondContact O-N 2.81Å; V181-I184 PolarHBondContact O-N 3.27Å; I184-V186 VanDerWaalsContact C-N 3.28Å; I184-V186 PolarHBondContact O-N 2.93Å; I184-L187 WeakPolarHBondContact O-CB 3.16Å; I184-L187 PolarHBondContact O-N 2.83Å; I184-L187 VanDerWaalsContact O-N 3.09Å; I184-L188 HydrophobicContact CG2-CD1 3.76Å; I184-L188 WeakPolarHBondContact O-CD1 3.44Å; I184-L188 PolarHBondContact O-N 3.06Å |
| 185 | L | 88.3 | Confident | 83.8 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 60% | 0.602 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.5 | -40.9 | 176.9 | -170 | 92.8 | 0 | 0 | 0 | 112.1 | V181 L182 I183 L188 | V181-L185 WeakPolarHBondContact O-CB 3.31Å; V181-L185 PolarHBondContact O-N 2.77Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 3.46Å; I183-L185 VanDerWaalsContact C-N 3.34Å; I183-L185 PolarHBondContact O-N 3.02Å; L185-L188 PolarHBondContact O-N 2.85Å |
| 186 | V | 86.9 | Confident | 82.7 | Confident | 35 Ų | 35 | 70.1 Ų | 70.1 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111 | L123 L127 L182 I183 I184 L188 I189 W192 | L123-V186 HydrophobicContact CD1-CG1 4.05Å; L123-V186 HydrophobicContact CD2-CB 3.93Å; L123-V186 HydrophobicContact CD2-CG1 3.8Å; L127-V186 HydrophobicContact CD2-CG2 4.36Å; L182-V186 WeakPolarHBondContact O-CG2 3.26Å; L182-V186 PolarHBondContact O-N 2.86Å; I183-V186 PolarHBondContact O-N 3.22Å; I183-V186 VanDerWaalsContact O-N 3.15Å; I184-V186 VanDerWaalsContact C-N 3.28Å; I184-V186 PolarHBondContact O-N 2.93Å; V186-L188 VanDerWaalsContact C-N 3.27Å; V186-L188 PolarHBondContact O-N 3.43Å; V186-I189 VanDerWaalsContact O-CB 3.31Å; V186-I189 WeakPolarHBondContact O-CB 3.36Å; V186-I189 VanDerWaalsContact O-CG1 3.26Å; V186-I189 WeakPolarHBondContact O-CG1 2.91Å; V186-I189 PolarHBondContact O-N 3.24Å; V186-I189 VanDerWaalsContact O-N 3.13Å; V186-W192 HydrophobicContact CG1-CZ2 3.9Å; V186-W192 PolarHBondContact O-NE1 3.31Å |
| 187 | L | 82.1 | Confident | 81.3 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.9 | -28 | 177 | -72.6 | 172.7 | 0 | 0 | 0 | 113.3 | L105 I119 N120 L123 I183 I184 I189 | L105-L187 HydrophobicContact CD2-CD1 3.91Å; I119-L187 HydrophobicContact CG2-CD2 3.77Å; N120-L187 HydrophobicContact CB-CD1 3.79Å; N120-L187 WeakPolarHBondContact OD1-CD1 3.35Å; L123-L187 HydrophobicContact CD2-CG 4.5Å; I183-L187 HydrophobicContact CG2-CD1 4.14Å; I183-L187 WeakPolarHBondContact O-CG 3.32Å; I183-L187 PolarHBondContact O-N 3.47Å; I184-L187 WeakPolarHBondContact O-CB 3.16Å; I184-L187 PolarHBondContact O-N 2.83Å; I184-L187 VanDerWaalsContact O-N 3.09Å; L187-I189 PolarHBondContact O-N 3.24Å; L187-I189 VanDerWaalsContact O-N 3.13Å |
| 188 | L | 81.5 | Confident | 79.9 | Confident | 128 Ų | 128 | 78.7 Ų | 78.7 | 67% | 0.67 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14 | 174.3 | -94.4 | 73.7 | 0 | 0 | 0 | 113.1 | I184 L185 V186 P190 | I184-L188 HydrophobicContact CG2-CD1 3.76Å; I184-L188 WeakPolarHBondContact O-CD1 3.44Å; I184-L188 PolarHBondContact O-N 3.06Å; L185-L188 PolarHBondContact O-N 2.85Å; V186-L188 VanDerWaalsContact C-N 3.27Å; V186-L188 PolarHBondContact O-N 3.43Å; L188-P190 WeakPolarHBondContact O-CD 3.32Å |
| 189 | I | 84.6 | Confident | 78.5 | Confident | 70 Ų | 70 | 74 Ų | 74 | 36% | 0.359 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -68.9 | 122.5 | 177.5 | -58.7 | 171.7 | 0 | 0 | 0 | 109.2 | V186 L187 Q191 W192 | V186-I189 VanDerWaalsContact O-CB 3.31Å; V186-I189 WeakPolarHBondContact O-CB 3.36Å; V186-I189 VanDerWaalsContact O-CG1 3.26Å; V186-I189 WeakPolarHBondContact O-CG1 2.91Å; V186-I189 PolarHBondContact O-N 3.24Å; V186-I189 VanDerWaalsContact O-N 3.13Å; L187-I189 PolarHBondContact O-N 3.24Å; L187-I189 VanDerWaalsContact O-N 3.13Å; I189-Q191 HydrophobicContact CG2-CB 4.04Å; I189-Q191 HydrophobicContact CG2-CG 4Å; I189-Q191 PolarHBondContact O-N 2.93Å; I189-W192 VanDerWaalsContact O-CD1 3.23Å; I189-W192 PolarHBondContact O-N 2.85Å; I189-W192 VanDerWaalsContact O-N 3.16Å |
| 190 | P | 77.1 | Confident | 77 | Confident | 92 Ų | 92 | 79 Ų | 79 | 60% | 0.597 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -8.9 | -172.7 | 25.2 | -34.7 | 0 | 0 | 0 | 114.5 | L188 W192 K193 | L188-P190 WeakPolarHBondContact O-CD 3.32Å; P190-W192 VanDerWaalsContact C-N 3.3Å; P190-W192 PolarHBondContact O-N 3.49Å; P190-K193 PolarHBondContact O-N 2.89Å |
| 191 | Q | 76.3 | Confident | 75.8 | Confident | 146 Ų | 146 | 81.4 Ų | 81.4 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66 | -32.2 | 175.6 | -64.3 | -176.5 | -43.3 | 0 | 0 | 112.2 | I189 K194 L195 | I189-Q191 HydrophobicContact CG2-CB 4.04Å; I189-Q191 HydrophobicContact CG2-CG 4Å; I189-Q191 PolarHBondContact O-N 2.93Å; Q191-K194 PolarHBondContact O-N 3.4Å; Q191-L195 PolarHBondContact O-N 2.91Å |
| 192 | W | 74 | Confident | 74.4 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 178.9 | -60.3 | 111.2 | 0 | 0 | 0 | 112.2 | I119 L123 V186 I189 P190 K194 L195 A196 | I119-W192 HydrophobicContact CG2-CD2 4.29Å; I119-W192 HydrophobicContact CG2-CE3 3.76Å; I119-W192 HydrophobicContact CG2-CZ3 4.32Å; L123-W192 HydrophobicContact CD1-CH2 3.95Å; L123-W192 HydrophobicContact CD1-CZ2 3.97Å; V186-W192 HydrophobicContact CG1-CZ2 3.9Å; V186-W192 PolarHBondContact O-NE1 3.31Å; I189-W192 VanDerWaalsContact O-CD1 3.23Å; I189-W192 PolarHBondContact O-N 2.85Å; I189-W192 VanDerWaalsContact O-N 3.16Å; P190-W192 VanDerWaalsContact C-N 3.3Å; P190-W192 PolarHBondContact O-N 3.49Å; W192-K194 VanDerWaalsContact C-N 3.3Å; W192-K194 PolarHBondContact O-N 2.86Å; W192-L195 WeakPolarHBondContact O-CB 3.37Å; W192-L195 PolarHBondContact O-N 3.07Å; W192-A196 PolarHBondContact O-N 2.9Å |
| 193 | K | 68.4 | Low | 73.3 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 41% | 0.409 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 175.7 | -64.3 | -168.8 | 168.2 | -149.7 | 0 | 112.6 | E111 P190 L195 A196 L197 | E111-K193 IonicContact OE2-NZ 2.77Å; E111-K193 PolarHBondContact OE2-NZ 3.45Å; P190-K193 PolarHBondContact O-N 2.89Å; K193-L195 VanDerWaalsContact C-N 3.29Å; K193-L195 PolarHBondContact O-N 2.76Å; K193-A196 PolarHBondContact O-N 2.69Å; K193-L197 PolarHBondContact O-N 3.3Å |
| 194 | K | 70 | Confident | 72.4 | Confident | 156 Ų | 156 | 89.3 Ų | 89.3 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.6 | -34 | 175.7 | -63.8 | -173.4 | -179.8 | -174.6 | 0 | 112.2 | Q191 W192 | Q191-K194 PolarHBondContact O-N 3.4Å; W192-K194 VanDerWaalsContact C-N 3.3Å; W192-K194 PolarHBondContact O-N 2.86Å |
| 195 | L | 68.5 | Low | 71.6 | Confident | 103 Ų | 103 | 91.9 Ų | 91.9 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.4 | -34.9 | 178.4 | -135.9 | 71.8 | 0 | 0 | 0 | 111.8 | Q191 W192 K193 L197 L198 | Q191-L195 PolarHBondContact O-N 2.91Å; W192-L195 WeakPolarHBondContact O-CB 3.37Å; W192-L195 PolarHBondContact O-N 3.07Å; K193-L195 VanDerWaalsContact C-N 3.29Å; K193-L195 PolarHBondContact O-N 2.76Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 2.76Å; L195-L198 PolarHBondContact O-N 2.85Å |
| 196 | A | 67.1 | Low | 70.9 | Confident | 9 Ų | 9 | 90.9 Ų | 90.9 | 7% | 0.074 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | L116 I119 W192 K193 L198 N199 | L116-A196 HydrophobicContact CD2-CB 4.28Å; I119-A196 HydrophobicContact CD1-CB 3.88Å; W192-A196 PolarHBondContact O-N 2.9Å; K193-A196 PolarHBondContact O-N 2.69Å; A196-L198 PolarHBondContact O-N 3.4Å; A196-N199 WeakPolarHBondContact O-CB 3.26Å; A196-N199 PolarHBondContact O-N 3.48Å |
| 197 | L | 61.5 | Low | 70.2 | Confident | 136 Ų | 136 | 89.7 Ų | 89.7 | 71% | 0.712 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.2 | 178 | -68.2 | 177.2 | 0 | 0 | 0 | 114.6 | K193 L195 N199 | K193-L197 PolarHBondContact O-N 3.3Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 2.76Å; L197-N199 VanDerWaalsContact C-N 3.34Å |
| 198 | L | 61.4 | Low | 69.8 | Low | 129 Ų | 129 | 89.2 Ų | 89.2 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.4 | 179.4 | -81.9 | 153.7 | 0 | 0 | 0 | 113.1 | L195 A196 P200 | L195-L198 PolarHBondContact O-N 2.85Å; A196-L198 PolarHBondContact O-N 3.4Å; L198-P200 VanDerWaalsContact O-CD 3.22Å; L198-P200 WeakPolarHBondContact O-CD 3.39Å |
| 199 | N | 63.6 | Low | 69.5 | Low | 32 Ų | 32 | 84.1 Ų | 84.1 | 17% | 0.171 | 44% | 0.438 | C | S | . | . | trans | -65.7 | 116.7 | -175.6 | -162.5 | 12.3 | 0 | 0 | 0 | 110.9 | S115 A196 L197 I201 E207 | S115-N199 PolarHBondContact OG-ND2 3.01Å; S115-N199 VanDerWaalsContact OG-ND2 3.16Å; A196-N199 WeakPolarHBondContact O-CB 3.26Å; A196-N199 PolarHBondContact O-N 3.48Å; L197-N199 VanDerWaalsContact C-N 3.34Å; N199-I201 VanDerWaalsContact C-N 3.29Å; N199-I201 PolarHBondContact O-N 3.34Å; N199-E207 PolarHBondContact ND2-OE1 3.23Å | ||
| 200 | P | 60.8 | Low | 69.1 | Low | 107 Ų | 107 | 83.3 Ų | 83.3 | 70% | 0.695 | 43% | 0.434 | S | S | * | . | trans | -87.1 | 5.5 | -176.1 | 34.1 | -32.7 | 0 | 0 | 0 | 113.2 | L198 N202 | L198-P200 VanDerWaalsContact O-CD 3.22Å; L198-P200 WeakPolarHBondContact O-CD 3.39Å; P200-N202 PolarHBondContact O-N 2.93Å | ||
| 201 | I | 63.7 | Low | 68.8 | Low | 60 Ų | 60 | 79 Ų | 79 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | trans | -90.1 | 107 | -175.1 | -55.6 | 175.4 | 0 | 0 | 0 | 109.3 | N199 N203 E207 | N199-I201 VanDerWaalsContact C-N 3.29Å; N199-I201 PolarHBondContact O-N 3.34Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-E207 HydrophobicContact CG2-CB 4.03Å | ||
| 202 | N | 60.7 | Low | 68.6 | Low | 141 Ų | 141 | 72.9 Ų | 72.9 | 75% | 0.754 | 38% | 0.377 | S | S | * | . | trans | -81.5 | -8.8 | -179.7 | -66 | -19.9 | 0 | 0 | 0 | 113.8 | P200 | P200-N202 PolarHBondContact O-N 2.93Š| ||
| 203 | N | 69 | Low | 68.5 | Low | 103 Ų | 103 | 72.3 Ų | 72.3 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | trans | -109.5 | 107.7 | -173.4 | -72.9 | -51.1 | 0 | 0 | 0 | 111.3 | I201 Q205 L206 E207 | I201-N203 VanDerWaalsContact C-N 3.32Å; N203-Q205 PolarHBondContact O-N 3.46Å; N203-L206 HydrophobicContact CB-CB 3.95Å; N203-L206 PolarHBondContact O-N 3.48Å; N203-E207 PolarHBondContact O-N 2.01Å | ||
| 204 | P | 68.3 | Low | 68.9 | Low | 57 Ų | 57 | 71.4 Ų | 71.4 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -34.3 | -172.1 | 29.1 | -37.9 | 0 | 0 | 0 | 113.2 | C41 E207 L208 | C41-P204 WeakPolarHBondContact SG-CB 3.29Å; P204-E207 PolarHBondContact O-N 3.38Å; P204-L208 WeakPolarHBondContact O-CB 3.32Å; P204-L208 PolarHBondContact O-N 3.24Å |
| 205 | Q | 69.9 | Low | 69 | Low | 115 Ų | 115 | 65.9 Ų | 65.9 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 177 | -68.4 | -178.8 | -19.8 | 0 | 0 | 112.4 | F50 N203 A209 | F50-Q205 HydrophobicContact CD1-CB 4.18Å; F50-Q205 HydrophobicContact CD1-CG 3.92Å; F50-Q205 HydrophobicContact CE1-CB 3.61Å; F50-Q205 HydrophobicContact CE1-CG 3.88Å; F50-Q205 HydrophobicContact CZ-CB 4.05Å; N203-Q205 PolarHBondContact O-N 3.46Å; Q205-A209 PolarHBondContact O-N 3Å |
| 206 | L | 73.9 | Confident | 69.1 | Low | 93 Ų | 93 | 61.8 Ų | 61.8 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.2 | -41.8 | 177.5 | 178.5 | 62.8 | 0 | 0 | 0 | 110.7 | N203 A209 I210 | N203-L206 HydrophobicContact CB-CB 3.95Å; N203-L206 PolarHBondContact O-N 3.48Å; L206-A209 PolarHBondContact O-N 3.29Å; L206-I210 HydrophobicContact CD1-CD1 4.08Å; L206-I210 HydrophobicContact CD1-CG1 4.29Å; L206-I210 HydrophobicContact CD2-CD1 4.46Å; L206-I210 HydrophobicContact CG-CD1 3.81Å; L206-I210 HydrophobicContact CG-CG1 4.44Å; L206-I210 VanDerWaalsContact O-CG1 3.26Å; L206-I210 WeakPolarHBondContact O-CG1 3.05Å; L206-I210 PolarHBondContact O-N 2.88Å |
| 207 | E | 72.7 | Confident | 69.4 | Low | 11 Ų | 11 | 67.9 Ų | 67.9 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.6 | -51.7 | 174.5 | -174.5 | 174 | -177.1 | 0 | 0 | 110.8 | L118 N199 I201 N203 P204 A209 I210 V211 | L118-E207 HydrophobicContact CD2-CG 4.49Å; L118-E207 VanDerWaalsContact CD2-OE1 3.29Å; L118-E207 WeakPolarHBondContact CD2-OE1 3.34Å; N199-E207 PolarHBondContact ND2-OE1 3.23Å; I201-E207 HydrophobicContact CG2-CB 4.03Å; N203-E207 PolarHBondContact O-N 2.01Å; P204-E207 PolarHBondContact O-N 3.38Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.48Å; E207-I210 PolarHBondContact O-N 3.31Å; E207-I210 VanDerWaalsContact O-N 3.12Å; E207-V211 HydrophobicContact CG-CG2 4.48Å; E207-V211 VanDerWaalsContact O-CG2 3.24Å; E207-V211 WeakPolarHBondContact O-CG2 3.5Å; E207-V211 PolarHBondContact O-N 2.96Å |
| 208 | L | 72.9 | Confident | 70 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.5 | -44.8 | 178 | -172.3 | 64.8 | 0 | 0 | 0 | 112.6 | F50 L54 Y117 P204 V211 M212 | F50-L208 HydrophobicContact CD1-CD2 4.26Å; F50-L208 HydrophobicContact CE1-CD2 4.42Å; L54-L208 HydrophobicContact CD1-CD2 4.02Å; L54-L208 HydrophobicContact CD1-CG 4.11Å; Y117-L208 HydrophobicContact CE1-CD1 4.48Å; P204-L208 WeakPolarHBondContact O-CB 3.32Å; P204-L208 PolarHBondContact O-N 3.24Å; L208-V211 PolarHBondContact O-N 3.33Å; L208-M212 HydrophobicContact CD1-CE 3.55Å; L208-M212 HydrophobicContact CD1-CG 4.19Å; L208-M212 HydrophobicContact CD1-SD 3.66Å; L208-M212 HydrophobicContact CG-SD 4.07Å; L208-M212 WeakPolarHBondContact O-CB 2.98Å; L208-M212 PolarHBondContact O-N 2.97Å |
| 209 | A | 75.5 | Confident | 70.4 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L54 Q205 L206 E207 V211 L213 I214 | L54-A209 HydrophobicContact CD1-CB 4.34Å; Q205-A209 PolarHBondContact O-N 3Å; L206-A209 PolarHBondContact O-N 3.29Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.48Å; A209-V211 VanDerWaalsContact C-N 3.32Å; A209-V211 PolarHBondContact O-N 3.13Å; A209-L213 WeakPolarHBondContact O-CB 3.3Å; A209-L213 PolarHBondContact O-N 3.47Å; A209-L213 VanDerWaalsContact O-N 3.13Å; A209-I214 PolarHBondContact O-N 3.26Å |
| 210 | I | 75.7 | Confident | 70.7 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -61.8 | -44.9 | 176.5 | -71.5 | 165.4 | 0 | 0 | 0 | 110.1 | L206 E207 I214 V215 | L206-I210 HydrophobicContact CD1-CD1 4.08Å; L206-I210 HydrophobicContact CD1-CG1 4.29Å; L206-I210 HydrophobicContact CD2-CD1 4.46Å; L206-I210 HydrophobicContact CG-CD1 3.81Å; L206-I210 HydrophobicContact CG-CG1 4.44Å; L206-I210 VanDerWaalsContact O-CG1 3.26Å; L206-I210 WeakPolarHBondContact O-CG1 3.05Å; L206-I210 PolarHBondContact O-N 2.88Å; E207-I210 PolarHBondContact O-N 3.31Å; E207-I210 VanDerWaalsContact O-N 3.12Å; I210-I214 HydrophobicContact CG1-CD1 3.99Å; I210-I214 WeakPolarHBondContact O-CB 2.91Å; I210-I214 PolarHBondContact O-N 2.86Å; I210-V215 HydrophobicContact CG2-CG2 3.92Å; I210-V215 WeakPolarHBondContact O-CG2 3.47Å; I210-V215 PolarHBondContact O-N 2.64Å |
| 211 | V | 71.4 | Confident | 71.2 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -70.5 | -48.9 | -175.1 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | L118 F121 E207 L208 A209 P216 | L118-V211 HydrophobicContact CB-CG2 3.96Å; L118-V211 HydrophobicContact CD1-CB 4.35Å; L118-V211 HydrophobicContact CD1-CG1 4.37Å; L118-V211 HydrophobicContact CD1-CG2 3.11Å; L118-V211 HydrophobicContact CG-CG2 4.04Å; F121-V211 HydrophobicContact CB-CG1 3.66Å; F121-V211 HydrophobicContact CD1-CG1 3.27Å; F121-V211 WeakPolarHBondContact CD1-O 3.28Å; F121-V211 HydrophobicContact CD2-CG1 4.35Å; F121-V211 HydrophobicContact CE1-CG1 4.03Å; F121-V211 WeakPolarHBondContact CE1-O 3.48Å; F121-V211 HydrophobicContact CG-CG1 3.48Å; F121-V211 VanDerWaalsContact CG-CG1 3.48Å; F121-V211 WeakPolarHBondContact CZ-O 3.36Å; E207-V211 HydrophobicContact CG-CG2 4.48Å; E207-V211 VanDerWaalsContact O-CG2 3.24Å; E207-V211 WeakPolarHBondContact O-CG2 3.5Å; E207-V211 PolarHBondContact O-N 2.96Å; L208-V211 PolarHBondContact O-N 3.33Å; A209-V211 VanDerWaalsContact C-N 3.32Å; A209-V211 PolarHBondContact O-N 3.13Å; V211-P216 WeakPolarHBondContact O-CD 3.35Å; V211-P216 VanDerWaalsContact O-CG 3.26Å; V211-P216 WeakPolarHBondContact O-CG 3.27Å |
| 212 | M | 71.9 | Confident | 71.7 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -84 | -26.5 | -172.3 | -68.9 | -176.1 | 165.1 | 0 | 0 | 113.7 | L46 Y117 L208 P216 | L46-M212 HydrophobicContact CD2-CE 4.39Å; Y117-M212 HydrophobicContact CE1-CE 3.53Å; Y117-M212 WeakPolarHBondContact OH-CE 3.35Å; L208-M212 HydrophobicContact CD1-CE 3.55Å; L208-M212 HydrophobicContact CD1-CG 4.19Å; L208-M212 HydrophobicContact CD1-SD 3.66Å; L208-M212 HydrophobicContact CG-SD 4.07Å; L208-M212 WeakPolarHBondContact O-CB 2.98Å; L208-M212 PolarHBondContact O-N 2.97Å; M212-P216 WeakPolarHBondContact O-CG 3.46Å |
| 213 | L | 71.8 | Confident | 71.9 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -114.8 | -55.4 | -172.7 | -174.1 | 66.3 | 0 | 0 | 0 | 112 | L58 A209 F217 | L58-L213 HydrophobicContact CD1-CD1 3.91Å; A209-L213 WeakPolarHBondContact O-CB 3.3Å; A209-L213 PolarHBondContact O-N 3.47Å; A209-L213 VanDerWaalsContact O-N 3.13Å; L213-F217 WeakPolarHBondContact O-CB 3.37Å; L213-F217 PolarHBondContact O-N 2.78Å; L213-F217 VanDerWaalsContact O-N 3.14Å |
| 214 | I | 76.8 | Confident | 71.7 | Confident | 74 Ų | 74 | 65.8 Ų | 65.8 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -72.2 | -55.7 | -168.2 | -60.4 | -177.2 | 0 | 0 | 0 | 110.8 | A209 I210 F217 F218 | A209-I214 PolarHBondContact O-N 3.26Å; I210-I214 HydrophobicContact CG1-CD1 3.99Å; I210-I214 WeakPolarHBondContact O-CB 2.91Å; I210-I214 PolarHBondContact O-N 2.86Å; I214-F217 PolarHBondContact O-N 3.26Å; I214-F218 HydrophobicContact CG2-CD2 3.76Å; I214-F218 HydrophobicContact CG2-CE2 3.64Å; I214-F218 WeakPolarHBondContact O-CD2 3.41Å; I214-F218 PolarHBondContact O-N 3.04Å; I214-F218 VanDerWaalsContact O-N 3.11Å |
| 215 | V | 72.9 | Confident | 72.1 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | -177.4 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | L122 I210 F217 F218 V219 | L122-V215 HydrophobicContact CD2-CB 4.34Å; L122-V215 HydrophobicContact CD2-CG1 3.58Å; I210-V215 HydrophobicContact CG2-CG2 3.92Å; I210-V215 WeakPolarHBondContact O-CG2 3.47Å; I210-V215 PolarHBondContact O-N 2.64Å; V215-F217 VanDerWaalsContact C-N 3.33Å; V215-F217 PolarHBondContact O-N 2.9Å; V215-F218 PolarHBondContact O-N 3.19Å; V215-V219 HydrophobicContact CG1-CG2 3.87Å; V215-V219 WeakPolarHBondContact O-CB 3.46Å; V215-V219 VanDerWaalsContact O-CG2 3.28Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 3.24Å |
| 216 | P | 70.4 | Confident | 72 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.104 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 175.9 | -30.1 | 38.9 | 0 | 0 | 0 | 113 | F121 V211 M212 F218 V219 N220 | F121-P216 HydrophobicContact CE1-CG 3.39Å; F121-P216 HydrophobicContact CZ-CB 4.45Å; F121-P216 HydrophobicContact CZ-CG 3.33Å; V211-P216 WeakPolarHBondContact O-CD 3.35Å; V211-P216 VanDerWaalsContact O-CG 3.26Å; V211-P216 WeakPolarHBondContact O-CG 3.27Å; M212-P216 WeakPolarHBondContact O-CG 3.46Å; P216-F218 VanDerWaalsContact C-N 3.34Å; P216-F218 PolarHBondContact O-N 3.21Å; P216-V219 PolarHBondContact O-N 2.62Å; P216-N220 WeakPolarHBondContact O-CB 3.03Å; P216-N220 PolarHBondContact O-N 3.46Å; P216-N220 PolarHBondContact O-ND2 3.45Å |
| 217 | F | 72.5 | Confident | 71.5 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.3 | -48.5 | 177.7 | 176.8 | -98.3 | 0 | 0 | 0 | 110.8 | L213 I214 V215 A221 | L213-F217 WeakPolarHBondContact O-CB 3.37Å; L213-F217 PolarHBondContact O-N 2.78Å; L213-F217 VanDerWaalsContact O-N 3.14Å; I214-F217 PolarHBondContact O-N 3.26Å; V215-F217 VanDerWaalsContact C-N 3.33Å; V215-F217 PolarHBondContact O-N 2.9Å; F217-A221 WeakPolarHBondContact O-CB 3.37Å; F217-A221 PolarHBondContact O-N 2.9Å |
| 218 | F | 74.9 | Confident | 71 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 58% | 0.575 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.3 | -42.3 | 179 | -75.3 | -67.7 | 0 | 0 | 0 | 113.2 | I214 V215 P216 A221 L222 | I214-F218 HydrophobicContact CG2-CD2 3.76Å; I214-F218 HydrophobicContact CG2-CE2 3.64Å; I214-F218 WeakPolarHBondContact O-CD2 3.41Å; I214-F218 PolarHBondContact O-N 3.04Å; I214-F218 VanDerWaalsContact O-N 3.11Å; V215-F218 PolarHBondContact O-N 3.19Å; P216-F218 VanDerWaalsContact C-N 3.34Å; P216-F218 PolarHBondContact O-N 3.21Å; F218-A221 PolarHBondContact O-N 3.48Å; F218-L222 WeakPolarHBondContact O-CB 3.33Å; F218-L222 PolarHBondContact O-N 3.35Å |
| 219 | V | 70.1 | Confident | 70.8 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V215 P216 L222 M223 | V215-V219 HydrophobicContact CG1-CG2 3.87Å; V215-V219 WeakPolarHBondContact O-CB 3.46Å; V215-V219 VanDerWaalsContact O-CG2 3.28Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 3.24Å; P216-V219 PolarHBondContact O-N 2.62Å; V219-L222 PolarHBondContact O-N 3.32Å; V219-M223 WeakPolarHBondContact O-CB 3.42Å; V219-M223 WeakPolarHBondContact O-CG 3.39Å; V219-M223 PolarHBondContact O-N 2.91Å |
| 220 | N | 69.8 | Low | 70.1 | Confident | 92 Ų | 92 | 77.2 Ų | 77.2 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.3 | -38 | 175.8 | -71 | -40.8 | 0 | 0 | 0 | 111.8 | P216 M223 F224 | P216-N220 WeakPolarHBondContact O-CB 3.03Å; P216-N220 PolarHBondContact O-N 3.46Å; P216-N220 PolarHBondContact O-ND2 3.45Å; N220-M223 PolarHBondContact O-N 3.03Å; N220-F224 WeakPolarHBondContact O-CB 3.14Å; N220-F224 PolarHBondContact O-N 3.23Å |
| 221 | A | 70.9 | Confident | 69.1 | Low | 46 Ų | 46 | 80.2 Ų | 80.2 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F217 F218 F224 W225 | F217-A221 WeakPolarHBondContact O-CB 3.37Å; F217-A221 PolarHBondContact O-N 2.9Å; F218-A221 PolarHBondContact O-N 3.48Å; A221-F224 PolarHBondContact O-N 3.47Å; A221-W225 WeakPolarHBondContact O-CB 3.36Å; A221-W225 PolarHBondContact O-N 3.45Å |
| 222 | L | 73.3 | Confident | 68.1 | Low | 100 Ų | 100 | 85.6 Ų | 85.6 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.9 | -177.9 | 68.7 | 0 | 0 | 0 | 110.6 | F218 V219 F224 W225 V226 | F218-L222 WeakPolarHBondContact O-CB 3.33Å; F218-L222 PolarHBondContact O-N 3.35Å; V219-L222 PolarHBondContact O-N 3.32Å; L222-F224 VanDerWaalsContact C-N 3.35Å; L222-F224 PolarHBondContact O-N 3.3Å; L222-W225 HydrophobicContact CD1-CE3 4.13Å; L222-W225 PolarHBondContact O-N 3.16Å; L222-V226 HydrophobicContact CD1-CG2 4.1Å; L222-V226 HydrophobicContact CG-CG2 4.16Å; L222-V226 WeakPolarHBondContact O-CB 3.38Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 3.26Å; L222-V226 PolarHBondContact O-N 3.43Å |
| 223 | M | 65.4 | Low | 67 | Low | 99 Ų | 99 | 91.9 Ų | 91.9 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 174.4 | -87.7 | -66.1 | -158.7 | 0 | 0 | 111.2 | V219 N220 W225 V226 V227 | V219-M223 WeakPolarHBondContact O-CB 3.42Å; V219-M223 WeakPolarHBondContact O-CG 3.39Å; V219-M223 PolarHBondContact O-N 2.91Å; N220-M223 PolarHBondContact O-N 3.03Å; M223-W225 PolarHBondContact O-N 3.03Å; M223-V226 PolarHBondContact O-N 3.48Å; M223-V227 WeakPolarHBondContact O-CB 3.18Å; M223-V227 WeakPolarHBondContact O-CG2 3.45Å; M223-V227 PolarHBondContact O-N 2.99Å |
| 224 | F | 65 | Low | 66 | Low | 145 Ų | 145 | 96.6 Ų | 96.6 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.2 | -48.7 | 174.3 | -179.3 | -99.2 | 0 | 0 | 0 | 111 | N220 A221 L222 V226 D228 | N220-F224 WeakPolarHBondContact O-CB 3.14Å; N220-F224 PolarHBondContact O-N 3.23Å; A221-F224 PolarHBondContact O-N 3.47Å; L222-F224 VanDerWaalsContact C-N 3.35Å; L222-F224 PolarHBondContact O-N 3.3Å; F224-V226 PolarHBondContact O-N 3.28Å; F224-D228 WeakPolarHBondContact O-CB 3.43Å; F224-D228 PolarHBondContact O-N 2.98Å |
| 225 | W | 76.3 | Confident | 64.9 | Low | 161 Ų | 161 | 94.9 Ų | 94.9 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 179.4 | -178.5 | 81.1 | 0 | 0 | 0 | 112.9 | A221 L222 M223 N229 | A221-W225 WeakPolarHBondContact O-CB 3.36Å; A221-W225 PolarHBondContact O-N 3.45Å; L222-W225 HydrophobicContact CD1-CE3 4.13Å; L222-W225 PolarHBondContact O-N 3.16Å; M223-W225 PolarHBondContact O-N 3.03Å; W225-N229 VanDerWaalsContact CE2-ND2 3.29Å; W225-N229 PolarHBondContact NE1-ND2 3.43Å; W225-N229 VanDerWaalsContact NE1-ND2 3.19Å; W225-N229 VanDerWaalsContact O-CB 3.29Å; W225-N229 WeakPolarHBondContact O-CB 3.29Å; W225-N229 PolarHBondContact O-N 2.92Å; W225-N229 PolarHBondContact O-ND2 3Å |
| 226 | V | 68.4 | Low | 64.1 | Low | 47 Ų | 47 | 102.7 Ų | 102.7 | 29% | 0.285 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -53.8 | 179.6 | 170.8 | 0 | 0 | 0 | 0 | 110 | L222 M223 F224 D228 N229 F230 | L222-V226 HydrophobicContact CD1-CG2 4.1Å; L222-V226 HydrophobicContact CG-CG2 4.16Å; L222-V226 WeakPolarHBondContact O-CB 3.38Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 3.26Å; L222-V226 PolarHBondContact O-N 3.43Å; M223-V226 PolarHBondContact O-N 3.48Å; F224-V226 PolarHBondContact O-N 3.28Å; V226-D228 VanDerWaalsContact C-N 3.33Å; V226-D228 PolarHBondContact O-N 3.35Å; V226-N229 PolarHBondContact O-N 3.43Å; V226-F230 HydrophobicContact CG1-CD2 3.71Å; V226-F230 HydrophobicContact CG1-CE2 3.87Å; V226-F230 VanDerWaalsContact O-CD2 3.25Å; V226-F230 WeakPolarHBondContact O-CD2 3.46Å; V226-F230 PolarHBondContact O-N 3.16Å |
| 227 | V | 63.4 | Low | 63.4 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | -179.4 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | M223 F230 L231 | M223-V227 WeakPolarHBondContact O-CB 3.18Å; M223-V227 WeakPolarHBondContact O-CG2 3.45Å; M223-V227 PolarHBondContact O-N 2.99Å; V227-F230 PolarHBondContact O-N 2.97Å; V227-L231 HydrophobicContact CG1-CD1 3.96Å; V227-L231 VanDerWaalsContact O-CB 3.27Å; V227-L231 WeakPolarHBondContact O-CB 3.32Å; V227-L231 PolarHBondContact O-N 3.34Å |
| 228 | D | 61.4 | Low | 62.6 | Low | 53 Ų | 53 | 107 Ų | 107 | 28% | 0.283 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | -179.7 | -166.5 | 54.4 | 0 | 0 | 0 | 112.3 | F224 V226 F230 L231 M232 | F224-D228 WeakPolarHBondContact O-CB 3.43Å; F224-D228 PolarHBondContact O-N 2.98Å; V226-D228 VanDerWaalsContact C-N 3.33Å; V226-D228 PolarHBondContact O-N 3.35Å; D228-F230 VanDerWaalsContact C-N 3.34Å; D228-F230 PolarHBondContact O-N 3.43Å; D228-L231 PolarHBondContact O-N 3.1Å; D228-M232 VanDerWaalsContact O-CB 3.25Å; D228-M232 WeakPolarHBondContact O-CB 3.35Å; D228-M232 VanDerWaalsContact O-CG 3.31Å; D228-M232 WeakPolarHBondContact O-CG 3.43Å; D228-M232 PolarHBondContact O-N 2.98Å; D228-M232 VanDerWaalsContact OD2-CE 3.26Å; D228-M232 WeakPolarHBondContact OD2-CE 3.26Å |
| 229 | N | 69.9 | Low | 61.8 | Low | 69 Ų | 69 | 103.3 Ų | 103.3 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 174.4 | -88 | -78.5 | 0 | 0 | 0 | 113.1 | W225 V226 K233 | W225-N229 VanDerWaalsContact CE2-ND2 3.29Å; W225-N229 PolarHBondContact NE1-ND2 3.43Å; W225-N229 VanDerWaalsContact NE1-ND2 3.19Å; W225-N229 VanDerWaalsContact O-CB 3.29Å; W225-N229 WeakPolarHBondContact O-CB 3.29Å; W225-N229 PolarHBondContact O-N 2.92Å; W225-N229 PolarHBondContact O-ND2 3Å; V226-N229 PolarHBondContact O-N 3.43Å; N229-K233 WeakPolarHBondContact O-CG 3.27Å; N229-K233 PolarHBondContact O-N 3.27Å |
| 230 | F | 60.7 | Low | 61.3 | Low | 153 Ų | 153 | 108.4 Ų | 108.4 | 67% | 0.671 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.9 | -38 | 176.3 | -87.2 | -73.5 | 0 | 0 | 0 | 112.2 | V226 V227 D228 K234 | V226-F230 HydrophobicContact CG1-CD2 3.71Å; V226-F230 HydrophobicContact CG1-CE2 3.87Å; V226-F230 VanDerWaalsContact O-CD2 3.25Å; V226-F230 WeakPolarHBondContact O-CD2 3.46Å; V226-F230 PolarHBondContact O-N 3.16Å; V227-F230 PolarHBondContact O-N 2.97Å; D228-F230 VanDerWaalsContact C-N 3.34Å; D228-F230 PolarHBondContact O-N 3.43Å; F230-K234 PolarHBondContact O-N 3.28Å |
| 231 | L | 54.3 | Low | 61 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.5 | -41.3 | -177.8 | -132.8 | 134.8 | 0 | 0 | 0 | 111.5 | V227 D228 K233 K234 G235 | V227-L231 HydrophobicContact CG1-CD1 3.96Å; V227-L231 VanDerWaalsContact O-CB 3.27Å; V227-L231 WeakPolarHBondContact O-CB 3.32Å; V227-L231 PolarHBondContact O-N 3.34Å; D228-L231 PolarHBondContact O-N 3.1Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 3.41Å; L231-K234 WeakPolarHBondContact O-CA 3.31Å; L231-K234 WeakPolarHBondContact O-CB 3.43Å; L231-K234 PolarHBondContact O-N 3.37Å; L231-G235 PolarHBondContact O-N 3.27Å |
| 232 | M | 50.1 | Low | 60.5 | Low | 116 Ų | 116 | 112.5 Ų | 112.5 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 174.9 | -75.5 | -169 | 175.1 | 0 | 0 | 112.2 | D228 K234 G235 R236 | D228-M232 VanDerWaalsContact O-CB 3.25Å; D228-M232 WeakPolarHBondContact O-CB 3.35Å; D228-M232 VanDerWaalsContact O-CG 3.31Å; D228-M232 WeakPolarHBondContact O-CG 3.43Å; D228-M232 PolarHBondContact O-N 2.98Å; D228-M232 VanDerWaalsContact OD2-CE 3.26Å; D228-M232 WeakPolarHBondContact OD2-CE 3.26Å; M232-K234 PolarHBondContact O-N 3.41Å; M232-G235 PolarHBondContact O-N 2.96Å; M232-R236 WeakPolarHBondContact O-CB 3.37Å; M232-R236 PolarHBondContact O-N 3.45Å |
| 233 | K | 49.6 | Very low | 60 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.7 | -35.2 | 172.3 | -79 | 178.2 | -178.7 | 179 | 0 | 112 | N229 L231 T237 | N229-K233 WeakPolarHBondContact O-CG 3.27Å; N229-K233 PolarHBondContact O-N 3.27Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 3.41Å; K233-T237 PolarHBondContact O-N 3.07Å; K233-T237 PolarHBondContact O-OG1 3.32Å |
| 234 | K | 50.7 | Low | 59.7 | Low | 160 Ų | 160 | 118.3 Ų | 118.3 | 70% | 0.696 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -78.6 | -39.6 | 178.7 | -146.7 | 174.1 | -174.3 | 178.1 | 0 | 112.4 | F230 L231 M232 T237 K238 | F230-K234 PolarHBondContact O-N 3.28Å; L231-K234 WeakPolarHBondContact O-CA 3.31Å; L231-K234 WeakPolarHBondContact O-CB 3.43Å; L231-K234 PolarHBondContact O-N 3.37Å; M232-K234 PolarHBondContact O-N 3.41Å; K234-T237 PolarHBondContact O-N 3.39Å; K234-K238 PolarHBondContact O-N 3.38Å |
| 235 | G | 52.2 | Low | 59.4 | Low | 38 Ų | 38 | 116.8 Ų | 116.8 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.9 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L231 M232 T237 K238 A239 | L231-G235 PolarHBondContact O-N 3.27Å; M232-G235 PolarHBondContact O-N 2.96Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 3.36Å; G235-K238 PolarHBondContact O-N 3.4Å; G235-K238 VanDerWaalsContact O-N 3.16Å; G235-A239 WeakPolarHBondContact O-CB 3.45Å; G235-A239 PolarHBondContact O-N 3.27Å |
| 236 | R | 57.1 | Low | 58.6 | Low | 206 Ų | 206 | 114 Ų | 114 | 78% | 0.777 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.8 | -30.9 | 176.8 | -157 | 174.5 | -175.8 | 169.6 | 1.4 | 112.2 | M232 K240 | M232-R236 WeakPolarHBondContact O-CB 3.37Å; M232-R236 PolarHBondContact O-N 3.45Å; R236-K240 WeakPolarHBondContact O-CB 3.49Å; R236-K240 PolarHBondContact O-N 3.46Å; R236-K240 VanDerWaalsContact O-N 3.08Å |
| 237 | T | 56.3 | Low | 58 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.4 | -39.9 | 173.8 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | K233 K234 G235 L241 | K233-T237 PolarHBondContact O-N 3.07Å; K233-T237 PolarHBondContact O-OG1 3.32Å; K234-T237 PolarHBondContact O-N 3.39Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 3.36Å; T237-L241 WeakPolarHBondContact O-CB 3.47Å; T237-L241 PolarHBondContact O-N 3.37Å; T237-L241 VanDerWaalsContact O-N 3.1Å |
| 238 | K | 54.9 | Low | 57.6 | Low | 147 Ų | 147 | 117 Ų | 117 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -46.4 | 174.4 | -78.7 | -166.3 | 170.5 | -166.7 | 0 | 112.7 | K234 G235 K240 L241 E242 | K234-K238 PolarHBondContact O-N 3.38Å; G235-K238 PolarHBondContact O-N 3.4Å; G235-K238 VanDerWaalsContact O-N 3.16Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 PolarHBondContact O-N 2.93Å; K238-L241 WeakPolarHBondContact O-CB 3.46Å; K238-L241 PolarHBondContact O-N 3.47Å; K238-L241 VanDerWaalsContact O-N 3.12Å; K238-E242 PolarHBondContact O-N 3.16Å |
| 239 | A | 58.3 | Low | 57.2 | Low | 53 Ų | 53 | 120.6 Ų | 120.6 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.1 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G235 L241 E242 E243 | G235-A239 WeakPolarHBondContact O-CB 3.45Å; G235-A239 PolarHBondContact O-N 3.27Å; A239-L241 VanDerWaalsContact C-N 3.33Å; A239-L241 PolarHBondContact O-N 3.49Å; A239-E242 PolarHBondContact O-N 3.41Å; A239-E243 WeakPolarHBondContact O-CB 3.02Å; A239-E243 PolarHBondContact O-N 2.91Å |
| 240 | K | 58.6 | Low | 56.4 | Low | 158 Ų | 158 | 123.5 Ų | 123.5 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.8 | -25.6 | 176.3 | -159.9 | 176.5 | -173.5 | -177.3 | 0 | 113.1 | R236 K238 R244 | R236-K240 WeakPolarHBondContact O-CB 3.49Å; R236-K240 PolarHBondContact O-N 3.46Å; R236-K240 VanDerWaalsContact O-N 3.08Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 PolarHBondContact O-N 2.93Å; K240-R244 WeakPolarHBondContact O-CB 3.41Å; K240-R244 PolarHBondContact O-N 3.13Å |
| 241 | L | 63.9 | Low | 56.1 | Low | 101 Ų | 101 | 128 Ų | 128 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.1 | -46.4 | 172 | -158.7 | 93.3 | 0 | 0 | 0 | 110.3 | T237 K238 A239 R244 E245 | T237-L241 WeakPolarHBondContact O-CB 3.47Å; T237-L241 PolarHBondContact O-N 3.37Å; T237-L241 VanDerWaalsContact O-N 3.1Å; K238-L241 WeakPolarHBondContact O-CB 3.46Å; K238-L241 PolarHBondContact O-N 3.47Å; K238-L241 VanDerWaalsContact O-N 3.12Å; A239-L241 VanDerWaalsContact C-N 3.33Å; A239-L241 PolarHBondContact O-N 3.49Å; L241-R244 PolarHBondContact O-N 3.09Å; L241-E245 WeakPolarHBondContact O-CG 3.46Å; L241-E245 PolarHBondContact O-N 3.13Å |
| 242 | E | 61.7 | Low | 55.7 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.4 | -39.8 | 177.5 | -72.5 | -179.6 | 161.8 | 0 | 0 | 112.2 | K238 A239 R244 E245 V246 | K238-E242 PolarHBondContact O-N 3.16Å; A239-E242 PolarHBondContact O-N 3.41Å; E242-R244 VanDerWaalsContact C-N 3.31Å; E242-R244 PolarHBondContact O-N 2.92Å; E242-E245 PolarHBondContact O-N 3.37Å; E242-V246 WeakPolarHBondContact O-CB 3.06Å; E242-V246 WeakPolarHBondContact O-CG2 3.5Å; E242-V246 PolarHBondContact O-N 3.15Å |
| 243 | E | 60.7 | Low | 55.1 | Low | 151 Ų | 151 | 126.8 Ų | 126.8 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.6 | -34.4 | 174.6 | -166.1 | -174.5 | 146.4 | 0 | 0 | 111.9 | A239 G247 | A239-E243 WeakPolarHBondContact O-CB 3.02Å; A239-E243 PolarHBondContact O-N 2.91Å; E243-G247 PolarHBondContact O-N 2.99Å |
| 244 | R | 60.8 | Low | 55 | Low | 171 Ų | 171 | 131.4 Ų | 131.4 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.2 | -40.3 | 174.8 | -167.5 | 179.7 | 179.8 | -145.7 | -3.9 | 111.7 | K240 L241 E242 G247 E248 | K240-R244 WeakPolarHBondContact O-CB 3.41Å; K240-R244 PolarHBondContact O-N 3.13Å; L241-R244 PolarHBondContact O-N 3.09Å; E242-R244 VanDerWaalsContact C-N 3.31Å; E242-R244 PolarHBondContact O-N 2.92Å; R244-G247 PolarHBondContact O-N 3.32Å; R244-E248 PolarHBondContact O-N 3.4Å |
| 245 | E | 58.2 | Low | 54.4 | Low | 112 Ų | 112 | 133.4 Ų | 133.4 | 52% | 0.523 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.3 | -41.6 | 173.9 | -73.7 | -177.7 | 166.4 | 0 | 0 | 111.7 | L241 E242 E248 D249 | L241-E245 WeakPolarHBondContact O-CG 3.46Å; L241-E245 PolarHBondContact O-N 3.13Å; E242-E245 PolarHBondContact O-N 3.37Å; E245-E248 PolarHBondContact O-N 3.43Å; E245-D249 PolarHBondContact O-N 3.27Å |
| 246 | V | 59.7 | Low | 54 | Low | 103 Ų | 103 | 138 Ų | 138 | 62% | 0.624 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.7 | -33.4 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | E242 | E242-V246 WeakPolarHBondContact O-CB 3.06Å; E242-V246 WeakPolarHBondContact O-CG2 3.5Å; E242-V246 PolarHBondContact O-N 3.15Å |
| 247 | G | 55.2 | Low | 53 | Low | 52 Ų | 52 | 139.3 Ų | 139.3 | 54% | 0.536 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -71.7 | -30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E243 R244 | E243-G247 PolarHBondContact O-N 2.99Å; R244-G247 PolarHBondContact O-N 3.32Å |
| 248 | E | 55.7 | Low | 52 | Low | 131 Ų | 131 | 144 Ų | 144 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80.2 | -23.4 | 176.7 | -76.1 | -175.2 | 116 | 0 | 0 | 113.1 | R244 E245 V250 | R244-E248 PolarHBondContact O-N 3.4Å; E245-E248 PolarHBondContact O-N 3.43Å; E248-V250 VanDerWaalsContact C-N 3.34Å; E248-V250 PolarHBondContact O-N 3.29Å |
| 249 | D | 51.9 | Low | 51.2 | Low | 130 Ų | 130 | 148.5 Ų | 148.5 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -79.5 | -6.7 | 179 | -99.9 | -22.6 | 0 | 0 | 0 | 114.7 | E245 R251 | E245-D249 PolarHBondContact O-N 3.27Å; D249-R251 PolarHBondContact O-N 3.02Å |
| 250 | V | 54.5 | Low | 50.1 | Low | 130 Ų | 130 | 156 Ų | 156 | 79% | 0.788 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -74.1 | -9.6 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | E248 | E248-V250 VanDerWaalsContact C-N 3.34Å; E248-V250 PolarHBondContact O-N 3.29Å |
| 251 | R | 53.8 | Low | 48.9 | Very low | 246 Ų | 246 | 152.3 Ų | 152.3 | 93% | 0.928 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -105.3 | 9.9 | -178 | -144.6 | 178.3 | -169.7 | -146.9 | 0.6 | 116.3 | D249 | D249-R251 PolarHBondContact O-N 3.02Š|
| 252 | G | 44.8 | Very low | 47.7 | Very low | 48 Ų | 48 | 155.6 Ų | 155.6 | 50% | 0.495 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -170 | 90.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 253 | N | 39 | Very low | 46.3 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 80.6 | 129.7 | 144.4 | -146.9 | 26 | 0 | 0 | 0 | 118.5 | K255 | N253-K255 PolarHBondContact O-N 2.95Š| ||
| 254 | R | 47.2 | Very low | 45.1 | Very low | 243 Ų | 243 | 155.4 Ų | 155.4 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -49.6 | 120 | 172.8 | -79.9 | 169.8 | 162.8 | 167.6 | -6.1 | 111.6 | ||||
| 255 | K | 38.5 | Very low | 43.6 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | -143.3 | 109.6 | 153.6 | -136.1 | 171.5 | -173.8 | 172.2 | 0 | 110.5 | N253 R257 | N253-K255 PolarHBondContact O-N 2.95Å; K255-R257 PolarHBondContact O-N 2.92Å | ||
| 256 | V | 43.9 | Very low | 42.6 | Very low | 134 Ų | 134 | 154.1 Ų | 154.1 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -54.5 | 116.4 | 170.2 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | Y258 | V256-Y258 HydrophobicContact CG1-CD2 4.37Å; V256-Y258 HydrophobicContact CG1-CE2 4.47Å | ||
| 257 | R | 35.5 | Very low | 41.6 | Very low | 235 Ų | 235 | 154.6 Ų | 154.6 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | trans | -113.6 | 109.2 | 167.6 | -172.4 | 179.4 | -78 | -176.4 | -1.6 | 108.1 | K255 R259 | K255-R257 PolarHBondContact O-N 2.92Å; R257-R259 PolarHBondContact O-N 3.05Å | ||
| 258 | Y | 36 | Very low | 40.7 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -55.6 | 121.2 | 168.8 | -87.7 | -98.9 | 0 | 0 | 0 | 110.1 | V256 | V256-Y258 HydrophobicContact CG1-CD2 4.37Å; V256-Y258 HydrophobicContact CG1-CE2 4.47Å | ||
| 259 | R | 37.8 | Very low | 39.7 | Very low | 242 Ų | 242 | 158.7 Ų | 158.7 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | trans | -125.2 | 84.1 | 152.9 | -168.1 | 178.5 | -83 | 174.4 | -3.9 | 108.6 | R257 | R257-R259 PolarHBondContact O-N 3.05Š| ||
| 260 | R | 34.6 | Very low | 39 | Very low | 210 Ų | 210 | 160.1 Ų | 160.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -63.3 | 138.4 | 155 | 176.2 | -178.2 | -115.6 | 116.6 | -3.4 | 106.7 | ||||
| 261 | A | 33.7 | Very low | 38.4 | Very low | 82 Ų | 82 | 160.6 Ų | 160.6 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -139.9 | 131.2 | 13.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 262 | L | 38.9 | Very low | 37.5 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -64 | 115.3 | 141.2 | -100.3 | 141.6 | 0 | 0 | 0 | 106.9 | ||||
| 263 | S | 31.9 | Very low | 37.2 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -94.3 | 96.5 | 157.6 | 55.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 264 | H | 35.1 | Very low | 37.2 | Very low | 152 Ų | 152 | 159.4 Ų | 159.4 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 122.4 | 159.3 | -170 | 62.1 | 0 | 0 | 0 | 106.6 | D266 | H264-D266 IonicContact CE1-OD2 3.97Š| ||
| 265 | D | 30.3 | Very low | 37.1 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -161.2 | 127.7 | 138 | -150.8 | -115.2 | 0 | 0 | 0 | 109.6 | ||||
| 266 | D | 36.3 | Very low | 37.4 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 138.5 | -179.4 | -70.1 | -66.4 | 0 | 0 | 0 | 112.8 | H264 | H264-D266 IonicContact CE1-OD2 3.97Š| ||
| 267 | S | 38.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -178.6 | 142.3 | 143 | -86.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 268 | E | 35.9 | Very low | 37.9 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 92.3 | 9 | 169 | -46.3 | -155.7 | 128.3 | 0 | 0 | 119.7 | ||
| 269 | S | 35.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -115.9 | -6.4 | 166.6 | 71.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 270 | E | 36.3 | Very low | 38.5 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -102.2 | -4.9 | -179.7 | -118.2 | 178.7 | 178 | 0 | 0 | 114.8 | L272 | E270-L272 PolarHBondContact O-N 2.92Š|
| 271 | I | 41.9 | Very low | 38.8 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 2.1 | -176.1 | -21.3 | 176.4 | 0 | 0 | 0 | 113.4 | ||
| 272 | L | 36.8 | Very low | 39.2 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 11.3 | -175.8 | -113.5 | 163.5 | 0 | 0 | 0 | 114 | E270 | E270-L272 PolarHBondContact O-N 2.92Š|
| 273 | F | 37.7 | Very low | 39.5 | Very low | 177 Ų | 177 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -124.2 | 0.2 | 172.8 | -98.3 | -79.3 | 0 | 0 | 0 | 114.6 | ||
| 274 | S | 39 | Very low | 40.1 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107.4 | 11 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 275 | A | 45.9 | Very low | 40.6 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -108.6 | -4.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 276 | D | 44.2 | Very low | 41.2 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -114.1 | -2.5 | -177.7 | -81.4 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 277 | D | 44.5 | Very low | 41.6 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -104.5 | 5.2 | -179.6 | -79 | -33.5 | 0 | 0 | 0 | 114.7 | ||
| 278 | E | 46.3 | Very low | 41.9 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -106.3 | 34.2 | 174.5 | -73.5 | -150.7 | 139.9 | 0 | 0 | 113.9 | ||
| 279 | M | 43.8 | Very low | 42.2 | Very low | 177 Ų | 177 | 147 Ų | 147 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -147.9 | 53.2 | 170.4 | -161.2 | 177 | -89 | 0 | 0 | 112.9 | ||
| 280 | D | 41.9 | Very low | 42.7 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -149.5 | -11.5 | 161.4 | -151.1 | 26 | 0 | 0 | 0 | 115.8 | ||
| 281 | D | 41.1 | Very low | 42.9 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 13 | -172.5 | -109.6 | -25.2 | 0 | 0 | 0 | 115.8 | ||
| 282 | S | 42.5 | Very low | 42.4 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -5.2 | -177.3 | -60.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 283 | E | 45.5 | Very low | 42.2 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -106.2 | -11.7 | -176.1 | -61.4 | -162.1 | 149.1 | 0 | 0 | 114.7 | ||
| 284 | E | 44.3 | Very low | 42.3 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 56% | 0.556 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -94.7 | -18.7 | -176.7 | -75.4 | -135.6 | 159.2 | 0 | 0 | 115.6 | R288 | E284-R288 IonicContact OE2-NH2 3.23Å; E284-R288 PolarHBondContact OE2-NH2 2.77Å |
| 285 | E | 43.9 | Very low | 41.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -79.6 | -23.7 | -176.1 | -88.6 | -153.9 | 121.9 | 0 | 0 | 114.7 | ||
| 286 | D | 43.1 | Very low | 41.6 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -79.1 | -20 | -176.9 | -107.6 | -20.5 | 0 | 0 | 0 | 113.6 | ||
| 287 | V | 45 | Very low | 41.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -80.7 | -29.3 | 179.7 | -177 | 0 | 0 | 0 | 0 | 111.8 | ||
| 288 | R | 44.3 | Very low | 40.5 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -80 | -16.6 | -177.4 | -71 | -174.8 | -169.9 | 140.9 | 13.8 | 114.1 | E284 | E284-R288 IonicContact OE2-NH2 3.23Å; E284-R288 PolarHBondContact OE2-NH2 2.77Å |
| 289 | R | 42.9 | Very low | 40.1 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -10 | 177 | -82.6 | -168.9 | 175.2 | -162.2 | 3.4 | 115 | ||
| 290 | L | 46.4 | Very low | 39.6 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -95.5 | -5.6 | -173.6 | -104.8 | 146.4 | 0 | 0 | 0 | 115.7 | ||
| 291 | T | 39.9 | Very low | 39.4 | Very low | 124 Ų | 124 | 154 Ų | 154 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -113.1 | 100.1 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 292 | G | 32.1 | Very low | 39.1 | Very low | 68 Ų | 68 | 158.1 Ų | 158.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -79.3 | 174.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 293 | L | 33.2 | Very low | 38.9 | Very low | 153 Ų | 153 | 160.3 Ų | 160.3 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | 83.9 | 101.8 | 151.5 | -90.9 | 90.9 | 0 | 0 | 0 | 121.3 | ||||
| 294 | K | 39.7 | Very low | 38.3 | Very low | 175 Ų | 175 | 155.1 Ų | 155.1 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | 57.9 | 121.5 | 122.3 | -67.2 | -179.8 | -177.5 | 172.6 | 0 | 119.5 | |||||
| 295 | T | 29.3 | Very low | 37.8 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | -139.9 | 134 | 120.2 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 296 | V | 40 | Very low | 38.1 | Very low | 122 Ų | 122 | 155 Ų | 155 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | -87.9 | 156.8 | -179.9 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 297 | K | 33.9 | Very low | 38 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | 116.1 | 137 | 157.6 | -67.9 | 178.5 | -179.1 | 167.4 | 0 | 112.5 | ||||
| 298 | K | 32.4 | Very low | 37.7 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | cis | -162.7 | 138.3 | 2 | -132.2 | 179 | 179.7 | 178.8 | 0 | 107.4 | ||||
| 299 | K | 37.3 | Very low | 37.3 | Very low | 190 Ų | 190 | 160.6 Ų | 160.6 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -72.8 | 134.3 | 169.5 | -159.4 | 175.4 | -171.6 | 175.6 | 0 | 109.6 | ||||
| 300 | K | 34.1 | Very low | 37 | Very low | 213 Ų | 213 | 157 Ų | 157 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -143.6 | 102.9 | 156.3 | -154.1 | 178.5 | -175.3 | -174.6 | 0 | 110.6 | ||||
| 301 | H | 36.5 | Very low | 36.4 | Very low | 161 Ų | 161 | 157.3 Ų | 157.3 | 75% | 0.745 | 82% | 0.824 | S | S | * | * | trans | -73.8 | 141.9 | 161.5 | -119.3 | -103.4 | 0 | 0 | 0 | 108.7 | ||||
| 302 | R | 34.8 | Very low | 36.2 | Very low | 224 Ų | 224 | 159.4 Ų | 159.4 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | -175.9 | 121.2 | 127.6 | -147.8 | 162.4 | -173.9 | -135.5 | 3.2 | 113.7 | |||||
| 303 | M | 38 | Very low | 36.5 | Very low | 161 Ų | 161 | 165.5 Ų | 165.5 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | 5.1 | 141.4 | 141.8 | -59 | -170.4 | -85.5 | 0 | 0 | 122.1 | ||||
| 304 | G | 32.5 | Very low | 36.7 | Very low | 68 Ų | 68 | 166.4 Ų | 166.4 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | 109.3 | 97.1 | 123.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 305 | I | 33.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 165.7 Ų | 165.7 | 86% | 0.862 | 85% | 0.845 | S | S | * | * | 26.9 | 160.1 | 126.8 | -41.4 | 173.4 | 0 | 0 | 0 | 119.8 | |||||
| 306 | P | 50.1 | Low | 37.1 | Very low | 106 Ų | 106 | 167.2 Ų | 167.2 | 69% | 0.688 | 84% | 0.84 | S | S | * | * | cis | -126.4 | 179 | -41.4 | 36.5 | -20.6 | 0 | 0 | 0 | 112.5 | ||||
| 307 | V | 41.9 | Very low | 36.9 | Very low | 216 Ų | 216 | 171.3 Ų | 171.3 | 100% | 1.309 | 85% | 0.849 | S | S | * | * | -151.5 | 0 | 114.8 | 178.6 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 307 of 307 residues in 413.5 ms
(Link to these results)