| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 30.6 | Very low | 242 Ų | 242 | 151.5 Ų | 151.5 | 100% | 1.192 | 86% | 0.861 | S | S | * | * | 0 | 130.8 | 0 | -85.7 | 171.9 | 163.2 | 0 | 0 | 106.9 | |||||
| 2 | E | 33.2 | Very low | 30.1 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 94% | 0.939 | 86% | 0.859 | S | S | * | * | trans | 66.2 | 93.7 | 176.2 | -61.8 | -175.5 | 142.3 | 0 | 0 | 117.3 | ||||
| 3 | G | 30 | Very low | 29.6 | Very low | 78 Ų | 78 | 150.5 Ų | 150.5 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -102.1 | 121.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A5 | G3-A5 PolarHBondContact O-N 2.95Š| ||
| 4 | S | 30.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | -80.9 | 109.2 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 5 | A | 33.2 | Very low | 28.8 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | trans | -79.3 | 130.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G3 | G3-A5 PolarHBondContact O-N 2.95Š| ||
| 6 | A | 32.6 | Very low | 28.7 | Very low | 92 Ų | 92 | 152.3 Ų | 152.3 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | trans | -71.3 | 122 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T8 | A6-T8 PolarHBondContact O-N 3.09Š| ||
| 7 | E | 27.9 | Very low | 28.4 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | trans | -77 | 113.2 | 167.5 | -81.5 | -178.5 | 146.9 | 0 | 0 | 109.4 | ||||
| 8 | T | 30 | Very low | 28.6 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | trans | -87.4 | 113.3 | 173.5 | -59.2 | 0 | 0 | 0 | 0 | 108.4 | A6 R10 | A6-T8 PolarHBondContact O-N 3.09Å; T8-R10 PolarHBondContact O-N 3.23Å; T8-R10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | E | 27.8 | Very low | 28.7 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -58.6 | 108.5 | 165.9 | -73 | -175.5 | 132.1 | 0 | 0 | 109.4 | ||||
| 10 | R | 27.9 | Very low | 28.9 | Very low | 215 Ų | 215 | 147.5 Ų | 147.5 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -92.7 | 105.8 | 169.6 | -82.5 | -173.9 | -179.5 | 179.1 | 1.5 | 109.8 | T8 F12 | T8-R10 PolarHBondContact O-N 3.23Å; T8-R10 VanDerWaalsContact O-N 3.08Å; R10-F12 PolarHBondContact O-N 3.48Å | ||
| 11 | S | 25.4 | Very low | 29.3 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -38.7 | 120.1 | 155.4 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 12 | F | 24.6 | Very low | 29 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -99.4 | 94.3 | 163.6 | -98.2 | -90.2 | 0 | 0 | 0 | 108.6 | R10 L14 | R10-F12 PolarHBondContact O-N 3.48Å; F12-L14 PolarHBondContact O-N 3.01Å | ||
| 13 | S | 23.8 | Very low | 28.9 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 110.1 | 161.4 | -75.1 | 0 | 0 | 0 | 0 | 109.2 | Q15 | S13-Q15 PolarHBondContact O-N 3.39Š| ||
| 14 | L | 25.2 | Very low | 28.8 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -80.9 | 93.2 | 164.8 | -75.9 | 168.7 | 0 | 0 | 0 | 108.7 | F12 L16 | F12-L14 PolarHBondContact O-N 3.01Å; L14-L16 PolarHBondContact O-N 3.25Å | ||
| 15 | Q | 22 | Very low | 29.1 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 106.6 | 159.5 | -83.3 | 169.5 | -40.4 | 0 | 0 | 108.3 | S13 S17 | S13-Q15 PolarHBondContact O-N 3.39Å; Q15-S17 PolarHBondContact O-N 2.8Å | ||
| 16 | L | 25.9 | Very low | 29 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -77.2 | 102.7 | 166.4 | -85.8 | 128 | 0 | 0 | 0 | 108.9 | L14 | L14-L16 PolarHBondContact O-N 3.25Š| ||
| 17 | S | 24.2 | Very low | 29.1 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 153 | 163.8 | -74 | 0 | 0 | 0 | 0 | 111.1 | Q15 D19 | Q15-S17 PolarHBondContact O-N 2.8Å; S17-D19 PolarHBondContact O-N 3.01Å | ||
| 18 | P | 32.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -99.4 | 78.9 | -164.7 | 37.5 | -28.3 | 0 | 0 | 0 | 110.7 | ||
| 19 | D | 31.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | trans | -170.4 | 149 | 154.2 | -108.7 | -45.4 | 0 | 0 | 0 | 109.5 | S17 | S17-D19 PolarHBondContact O-N 3.01Š| ||
| 20 | V | 31.7 | Very low | 29.3 | Very low | 133 Ų | 133 | 126 Ų | 126 | 81% | 0.806 | 69% | 0.686 | S | S | * | * | trans | 85.4 | 65.5 | -168.6 | -162.6 | 0 | 0 | 0 | 0 | 114.4 | S22 | V20-S22 PolarHBondContact O-N 3.42Š| ||
| 21 | R | 36.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | -91.6 | 75.8 | 160.9 | -70.7 | -178.9 | 177.8 | -156.3 | -3.8 | 110.6 | E366 | R21-E366 IonicContact CZ-OE1 3.1Å; R21-E366 IonicContact CZ-OE2 2.89Å; R21-E366 IonicContact NH1-OE1 3.83Å; R21-E366 PolarHBondContact NH1-OE1 3.2Å; R21-E366 IonicContact NH1-OE2 3.23Å; R21-E366 PolarHBondContact NH1-OE2 2.99Å; R21-E366 IonicContact NH2-OE2 3.27Å; R21-E366 PolarHBondContact NH2-OE2 2.81Å | ||
| 22 | S | 32.2 | Very low | 29.3 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | trans | -109.6 | 90.2 | 151.4 | -155.9 | 0 | 0 | 0 | 0 | 105.4 | V20 P24 | V20-S22 PolarHBondContact O-N 3.42Å; S22-P24 VanDerWaalsContact O-CD 3.29Å; S22-P24 WeakPolarHBondContact O-CD 3.4Å | ||
| 23 | F | 31.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | trans | -63.3 | 119.9 | 166.7 | -76.9 | -80.2 | 0 | 0 | 0 | 106 | V25 | F23-V25 PolarHBondContact O-N 3.45Š| ||
| 24 | P | 29 | Very low | 30 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | -57.4 | 129.7 | 164 | 25.4 | -29.6 | 0 | 0 | 0 | 105.8 | S22 A26 | S22-P24 VanDerWaalsContact O-CD 3.29Å; S22-P24 WeakPolarHBondContact O-CD 3.4Å; P24-A26 PolarHBondContact O-N 2.94Å | ||
| 25 | V | 35.2 | Very low | 30.1 | Very low | 63 Ų | 63 | 122.8 Ų | 122.8 | 38% | 0.382 | 70% | 0.697 | S | S | . | * | trans | -55.7 | 101.4 | 162.6 | 175.5 | 0 | 0 | 0 | 0 | 104.4 | F23 V27 | F23-V25 PolarHBondContact O-N 3.45Å; V25-V27 HydrophobicContact CG1-CG2 4.24Å; V25-V27 PolarHBondContact O-N 3.26Å | ||
| 26 | A | 31.1 | Very low | 30.5 | Very low | 47 Ų | 47 | 122.7 Ų | 122.7 | 39% | 0.388 | 70% | 0.701 | S | S | . | * | trans | -68.2 | 91.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | P24 F28 | P24-A26 PolarHBondContact O-N 2.94Å; A26-F28 VanDerWaalsContact C-N 3.3Å; A26-F28 HydrophobicContact CB-CD2 4.37Å; A26-F28 HydrophobicContact CB-CE2 4.29Å; A26-F28 PolarHBondContact O-N 3.44Å | ||
| 27 | V | 35.2 | Very low | 30.7 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 52% | 0.515 | 70% | 0.702 | S | S | . | * | trans | -65.1 | 98.4 | 165.9 | 179.2 | 0 | 0 | 0 | 0 | 105.2 | V25 T29 | V25-V27 HydrophobicContact CG1-CG2 4.24Å; V25-V27 PolarHBondContact O-N 3.26Å; V27-T29 HydrophobicContact CG1-CG2 4.46Å; V27-T29 PolarHBondContact O-N 2.86Å; V27-T29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | F | 30 | Very low | 30.8 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 61% | 0.614 | 71% | 0.708 | S | S | * | * | trans | -70.3 | 100.5 | 166.4 | -88.7 | -91.9 | 0 | 0 | 0 | 107.4 | A26 | A26-F28 VanDerWaalsContact C-N 3.3Å; A26-F28 HydrophobicContact CB-CD2 4.37Å; A26-F28 HydrophobicContact CB-CE2 4.29Å; A26-F28 PolarHBondContact O-N 3.44Å | ||
| 29 | T | 30.9 | Very low | 30.8 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | trans | -73.1 | 126.5 | 160.2 | 40.1 | 0 | 0 | 0 | 0 | 108.1 | V27 R31 | V27-T29 HydrophobicContact CG1-CG2 4.46Å; V27-T29 PolarHBondContact O-N 2.86Å; V27-T29 VanDerWaalsContact O-N 3.1Å; T29-R31 PolarHBondContact O-N 3.25Å | ||
| 30 | P | 29.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | trans | -63.5 | 122.1 | 168.4 | 25.3 | -30.5 | 0 | 0 | 0 | 108.4 | S32 | P30-S32 PolarHBondContact O-N 3.45Å; P30-S32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | R | 25.8 | Very low | 30.7 | Very low | 238 Ų | 238 | 122.5 Ų | 122.5 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | trans | -69.5 | 101.5 | 174.8 | -174.1 | 177 | 173.1 | 172 | -2.4 | 108.1 | T29 V33 | T29-R31 PolarHBondContact O-N 3.25Å; R31-V33 PolarHBondContact O-N 2.87Å | ||
| 32 | S | 28.4 | Very low | 30.6 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.5 | 168.2 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | P30 | P30-S32 PolarHBondContact O-N 3.45Å; P30-S32 VanDerWaalsContact O-N 3.11Å |
| 33 | V | 31 | Very low | 30.5 | Very low | 137 Ų | 137 | 124 Ų | 124 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 122.8 | 172.6 | -162.2 | 0 | 0 | 0 | 0 | 107.4 | R31 | R31-V33 PolarHBondContact O-N 2.87Š|
| 34 | P | 30.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 125.5 | 172.3 | 32 | -27.7 | 0 | 0 | 0 | 109.2 | ||
| 35 | G | 28.6 | Very low | 30.4 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 147.5 | 91.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 36 | L | 29.4 | Very low | 30.2 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 117.3 | 138.6 | -103.5 | 139.4 | 0 | 0 | 0 | 107.9 | ||||
| 37 | E | 29.8 | Very low | 30.3 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -65.1 | 137.4 | -177.2 | -53.8 | -142.1 | 124.3 | 0 | 0 | 110.4 | ||||
| 38 | A | 27.9 | Very low | 30 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -95.9 | 102.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 39 | E | 30.6 | Very low | 30.2 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.8 | 163.7 | -71.7 | -80.6 | 112.3 | 0 | 0 | 110.3 | ||
| 40 | P | 32.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 126.6 | 169.9 | 31.8 | -27.9 | 0 | 0 | 0 | 110.2 | E42 | P40-E42 PolarHBondContact O-N 2.99Š|
| 41 | A | 30.8 | Very low | 30.4 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G43 | A41-G43 PolarHBondContact O-N 2.97Š|
| 42 | E | 34 | Very low | 30.7 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116.8 | 161.6 | -67.6 | -156 | 135.8 | 0 | 0 | 109.7 | P40 | P40-E42 PolarHBondContact O-N 2.99Š|
| 43 | G | 30.8 | Very low | 31 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 116.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | A41 | A41-G43 PolarHBondContact O-N 2.97Š|
| 44 | G | 29.9 | Very low | 31 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 156.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 45 | F | 27.2 | Very low | 31.3 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -45.3 | 134.4 | 163.1 | -87.3 | -108.7 | 0 | 0 | 0 | 113 | ||||
| 46 | L | 31.5 | Very low | 31.9 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | trans | -138.9 | 124.7 | 144.6 | -74.4 | 179.8 | 0 | 0 | 0 | 109.9 | ||||
| 47 | S | 32.2 | Very low | 32.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -69.3 | 145.8 | 173.8 | -42.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 48 | G | 30.4 | Very low | 33 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -155.3 | 101.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 49 | D | 33.7 | Very low | 33.8 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | trans | -78.7 | 142.7 | 171.9 | -176.9 | 38.5 | 0 | 0 | 0 | 109.7 | ||||
| 50 | D | 33.1 | Very low | 34.6 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | 165.9 | 130.6 | 133.4 | -93.7 | -47.9 | 0 | 0 | 0 | 111.4 | ||||
| 51 | G | 31.1 | Very low | 35.2 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 107.4 | 82.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 52 | D | 32.8 | Very low | 36 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -3.2 | 155.5 | 151 | -115.6 | -42.2 | 0 | 0 | 0 | 124.4 | ||||
| 53 | E | 33.2 | Very low | 37.1 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 104.1 | 123.4 | 144.4 | -137.3 | -172.8 | 102.9 | 0 | 0 | 122.2 | ||||
| 54 | C | 31.8 | Very low | 38 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 102.7 | 103.4 | 144.1 | -145 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 55 | G | 37.1 | Very low | 39.6 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -79.7 | 155 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 56 | A | 40.2 | Very low | 41.4 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | 162.8 | 61.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 57 | L | 39.4 | Very low | 43 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -149 | 45.9 | 165.8 | -69.1 | -179.9 | 0 | 0 | 0 | 111.5 | D59 | L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.15Å | ||
| 58 | S | 43.3 | Very low | 45.2 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -84.6 | 7.8 | -179.4 | -172.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 59 | D | 44.3 | Very low | 47.6 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -129.4 | 28.7 | -169.5 | -141.8 | 16.5 | 0 | 0 | 0 | 115.1 | L57 | L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.15Å |
| 60 | S | 48.8 | Very low | 49.8 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -140.3 | 13.3 | 172.5 | -69.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 61 | L | 44.7 | Very low | 52.2 | Low | 137 Ų | 137 | 129.5 Ų | 129.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | -106.3 | 14.5 | 179.2 | -66.4 | 179.6 | 0 | 0 | 0 | 114.9 | R63 | L61-R63 PolarHBondContact O-N 3.33Š| ||
| 62 | S | 47.8 | Very low | 54.8 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 18.4 | -178.6 | -46.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 63 | R | 55.8 | Low | 57.5 | Low | 243 Ų | 243 | 131.5 Ų | 131.5 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 9.5 | 177.9 | -86.5 | -169.3 | -171.8 | -124.9 | 2.5 | 116.7 | L61 | L61-R63 PolarHBondContact O-N 3.33Š|
| 64 | L | 50.1 | Low | 60.3 | Low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -115.3 | 82.4 | 168.9 | -64.7 | 174.3 | 0 | 0 | 0 | 109.3 | S66 | L64-S66 PolarHBondContact O-N 3.13Å; L64-S66 VanDerWaalsContact O-N 3.09Å | ||
| 65 | R | 63.3 | Low | 63.1 | Low | 243 Ų | 243 | 129.7 Ų | 129.7 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | trans | -64.5 | 107.6 | 160.8 | -96.3 | -175 | 174.9 | 144.4 | -0.7 | 106.8 | ||||
| 66 | S | 64.2 | Low | 65.8 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 129.6 | 164.2 | -56 | 0 | 0 | 0 | 0 | 108 | L64 S68 | L64-S66 PolarHBondContact O-N 3.13Å; L64-S66 VanDerWaalsContact O-N 3.09Å; S66-S68 PolarHBondContact O-N 3.09Å |
| 67 | P | 66.5 | Low | 68.4 | Low | 76 Ų | 76 | 130.4 Ų | 130.4 | 49% | 0.494 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 133.6 | 179.8 | 21.8 | -30.7 | 0 | 0 | 0 | 109.1 | V72 | P67-V72 HydrophobicContact CB-CG2 4.09Å; P67-V72 HydrophobicContact CG-CG2 4.24Å |
| 68 | S | 78.8 | Confident | 71.1 | Confident | 51 Ų | 51 | 127 Ų | 127 | 36% | 0.357 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 150 | 178.9 | 73 | 0 | 0 | 0 | 0 | 110 | S66 M70 E71 V72 | S66-S68 PolarHBondContact O-N 3.09Å; S68-M70 PolarHBondContact O-N 2.91Å; S68-M70 VanDerWaalsContact O-N 3.07Å; S68-E71 WeakPolarHBondContact O-CB 3.27Å; S68-E71 PolarHBondContact O-N 3.4Å; S68-E71 WeakPolarHBondContact OG-CG 3.48Å; S68-E71 PolarHBondContact OG-N 3.42Å; S68-E71 VanDerWaalsContact OG-N 3.16Å; S68-V72 PolarHBondContact O-N 3.42Å |
| 69 | V | 80 | Confident | 73.5 | Confident | 128 Ų | 128 | 128.6 Ų | 128.6 | 78% | 0.776 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -52.9 | -32.8 | 175.3 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | V72 R73 | V69-V72 PolarHBondContact O-N 2.91Å; V69-R73 WeakPolarHBondContact O-CB 3.46Å; V69-R73 PolarHBondContact O-N 3.34Å |
| 70 | M | 80.6 | Confident | 76 | Confident | 148 Ų | 148 | 127.7 Ų | 127.7 | 73% | 0.729 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -44.8 | 175.4 | -168.8 | 170.6 | -179.7 | 0 | 0 | 112.4 | S68 V72 R73 E74 | S68-M70 PolarHBondContact O-N 2.91Å; S68-M70 VanDerWaalsContact O-N 3.07Å; M70-V72 VanDerWaalsContact C-N 3.34Å; M70-V72 PolarHBondContact O-N 2.93Å; M70-R73 PolarHBondContact O-N 2.87Å; M70-E74 WeakPolarHBondContact O-CB 3.31Å; M70-E74 PolarHBondContact O-N 3.25Å |
| 71 | E | 81.8 | Confident | 78.3 | Confident | 86 Ų | 86 | 127.4 Ų | 127.4 | 40% | 0.402 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64 | -36.9 | 175 | -75 | 169.3 | -151.1 | 0 | 0 | 112.5 | S68 K75 | S68-E71 WeakPolarHBondContact O-CB 3.27Å; S68-E71 PolarHBondContact O-N 3.4Å; S68-E71 WeakPolarHBondContact OG-CG 3.48Å; S68-E71 PolarHBondContact OG-N 3.42Å; S68-E71 VanDerWaalsContact OG-N 3.16Å; E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 VanDerWaalsContact O-CG 3.27Å; E71-K75 WeakPolarHBondContact O-CG 3.42Å; E71-K75 PolarHBondContact O-N 3.3Å |
| 72 | V | 86.7 | Confident | 80.8 | Confident | 75 Ų | 75 | 127.3 Ų | 127.3 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67 | -41.4 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | P67 S68 V69 M70 G76 | P67-V72 HydrophobicContact CB-CG2 4.09Å; P67-V72 HydrophobicContact CG-CG2 4.24Å; S68-V72 PolarHBondContact O-N 3.42Å; V69-V72 PolarHBondContact O-N 2.91Å; M70-V72 VanDerWaalsContact C-N 3.34Å; M70-V72 PolarHBondContact O-N 2.93Å; V72-G76 PolarHBondContact O-N 3.2Å |
| 73 | R | 89.1 | Confident | 83.2 | Confident | 205 Ų | 205 | 127.2 Ų | 127.2 | 77% | 0.774 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -43.9 | 176.9 | -173.1 | 179.3 | -178.3 | -176.5 | 1.2 | 111.9 | V69 M70 G76 Y77 | V69-R73 WeakPolarHBondContact O-CB 3.46Å; V69-R73 PolarHBondContact O-N 3.34Å; M70-R73 PolarHBondContact O-N 2.87Å; R73-G76 PolarHBondContact O-N 3.46Å; R73-Y77 WeakPolarHBondContact O-CB 3.26Å; R73-Y77 PolarHBondContact O-N 3.46Å |
| 74 | E | 91.7 | Very high | 85.1 | Confident | 127 Ų | 127 | 120.5 Ų | 120.5 | 59% | 0.593 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.7 | -45.9 | 177.8 | -171.8 | 174.9 | -167.8 | 0 | 0 | 111.6 | M70 G76 Y77 E78 | M70-E74 WeakPolarHBondContact O-CB 3.31Å; M70-E74 PolarHBondContact O-N 3.25Å; E74-G76 VanDerWaalsContact C-N 3.27Å; E74-G76 PolarHBondContact O-N 2.97Å; E74-Y77 PolarHBondContact O-N 3.48Å; E74-E78 PolarHBondContact O-N 3.42Å |
| 75 | K | 91.7 | Very high | 87.4 | Confident | 126 Ų | 126 | 115.4 Ų | 115.4 | 55% | 0.548 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -29.9 | 173.4 | -72.1 | 174.3 | -178.7 | 172.1 | 0 | 113.1 | E71 R79 | E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 VanDerWaalsContact O-CG 3.27Å; E71-K75 WeakPolarHBondContact O-CG 3.42Å; E71-K75 PolarHBondContact O-N 3.3Å; K75-R79 WeakPolarHBondContact O-CB 3.29Å; K75-R79 WeakPolarHBondContact O-CG 3.37Å; K75-R79 PolarHBondContact O-N 2.89Å; K75-R79 PolarHBondContact O-NE 3.4Å |
| 76 | G | 93.4 | Very high | 89 | Confident | 28 Ų | 28 | 108.8 Ų | 108.8 | 29% | 0.289 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V72 R73 E74 R79 L80 | V72-G76 PolarHBondContact O-N 3.2Å; R73-G76 PolarHBondContact O-N 3.46Å; E74-G76 VanDerWaalsContact C-N 3.27Å; E74-G76 PolarHBondContact O-N 2.97Å; G76-R79 PolarHBondContact O-N 3.31Å; G76-L80 WeakPolarHBondContact O-CB 3.49Å; G76-L80 PolarHBondContact O-N 2.98Å |
| 77 | Y | 94.1 | Very high | 90.6 | Very high | 151 Ų | 151 | 106.2 Ų | 106.2 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -46.8 | 177.8 | -178 | -99 | 0 | 0 | 0 | 112.2 | R73 E74 R79 L80 K81 | R73-Y77 WeakPolarHBondContact O-CB 3.26Å; R73-Y77 PolarHBondContact O-N 3.46Å; E74-Y77 PolarHBondContact O-N 3.48Å; Y77-R79 PolarHBondContact O-N 3.48Å; Y77-L80 PolarHBondContact O-N 3.01Å; Y77-K81 HydrophobicContact CE1-CD 4.42Å; Y77-K81 WeakPolarHBondContact O-CB 3.41Å; Y77-K81 PolarHBondContact O-N 3.12Å |
| 78 | E | 95.7 | Very high | 92.1 | Very high | 91 Ų | 91 | 107.9 Ų | 107.9 | 43% | 0.425 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 177.9 | -71.6 | -57.5 | 135.4 | 0 | 0 | 112.3 | E74 K81 E82 | E74-E78 PolarHBondContact O-N 3.42Å; E78-K81 PolarHBondContact O-N 3.48Å; E78-K81 IonicContact OE1-NZ 3.28Å; E78-K81 IonicContact OE2-NZ 2.81Å; E78-E82 PolarHBondContact O-N 2.82Å |
| 79 | R | 94.8 | Very high | 93 | Very high | 158 Ų | 158 | 112.3 Ų | 112.3 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 172.7 | -81.5 | -177 | -76.8 | 166.9 | -5.4 | 112.3 | K75 G76 Y77 K81 E82 E83 | K75-R79 WeakPolarHBondContact O-CB 3.29Å; K75-R79 WeakPolarHBondContact O-CG 3.37Å; K75-R79 PolarHBondContact O-N 2.89Å; K75-R79 PolarHBondContact O-NE 3.4Å; G76-R79 PolarHBondContact O-N 3.31Å; Y77-R79 PolarHBondContact O-N 3.48Å; R79-K81 VanDerWaalsContact C-N 3.31Å; R79-K81 PolarHBondContact O-N 2.93Å; R79-E82 PolarHBondContact O-N 3.47Å; R79-E83 PolarHBondContact O-N 2.93Å |
| 80 | L | 96.9 | Very high | 93.8 | Very high | 126 Ų | 126 | 110.8 Ų | 110.8 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 178.8 | -174.1 | 65.3 | 0 | 0 | 0 | 111.6 | G76 Y77 E83 L84 | G76-L80 WeakPolarHBondContact O-CB 3.49Å; G76-L80 PolarHBondContact O-N 2.98Å; Y77-L80 PolarHBondContact O-N 3.01Å; L80-E83 PolarHBondContact O-N 2.8Å; L80-L84 WeakPolarHBondContact O-CB 3.43Å; L80-L84 PolarHBondContact O-N 3.1Å |
| 81 | K | 96.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 108.5 Ų | 108.5 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 176.5 | -177.2 | -177.8 | 170.5 | -163.8 | 0 | 112.2 | Y77 E78 R79 A85 | Y77-K81 HydrophobicContact CE1-CD 4.42Å; Y77-K81 WeakPolarHBondContact O-CB 3.41Å; Y77-K81 PolarHBondContact O-N 3.12Å; E78-K81 PolarHBondContact O-N 3.48Å; E78-K81 IonicContact OE1-NZ 3.28Å; E78-K81 IonicContact OE2-NZ 2.81Å; R79-K81 VanDerWaalsContact C-N 3.31Å; R79-K81 PolarHBondContact O-N 2.93Å; K81-A85 WeakPolarHBondContact O-CB 3.46Å; K81-A85 PolarHBondContact O-N 2.87Å |
| 82 | E | 97.2 | Very high | 95.4 | Very high | 135 Ų | 135 | 109.3 Ų | 109.3 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.5 | -45.1 | 175.4 | -173.3 | 174 | -170.9 | 0 | 0 | 112 | E78 R79 L84 A85 K86 | E78-E82 PolarHBondContact O-N 2.82Å; R79-E82 PolarHBondContact O-N 3.47Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.09Å; E82-A85 PolarHBondContact O-N 2.78Å; E82-K86 WeakPolarHBondContact O-CB 3.44Å; E82-K86 PolarHBondContact O-N 2.88Å |
| 83 | E | 97.1 | Very high | 95.9 | Very high | 110 Ų | 110 | 111.2 Ų | 111.2 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 175.7 | -73.9 | -63.9 | 162 | 0 | 0 | 111.8 | R79 L80 K86 A87 | R79-E83 PolarHBondContact O-N 2.93Å; L80-E83 PolarHBondContact O-N 2.8Å; E83-K86 PolarHBondContact O-N 3.31Å; E83-K86 IonicContact OE2-NZ 3.57Å; E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.22Å |
| 84 | L | 97.3 | Very high | 96.3 | Very high | 102 Ų | 102 | 106.9 Ų | 106.9 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 173.5 | -179.4 | 63.5 | 0 | 0 | 0 | 111.5 | L80 E82 K86 A87 Q88 | L80-L84 WeakPolarHBondContact O-CB 3.43Å; L80-L84 PolarHBondContact O-N 3.1Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.09Å; L84-K86 VanDerWaalsContact C-N 3.28Å; L84-K86 PolarHBondContact O-N 3.37Å; L84-A87 PolarHBondContact O-N 3.31Å; L84-Q88 WeakPolarHBondContact O-CB 3.46Å; L84-Q88 VanDerWaalsContact O-CG 3.29Å; L84-Q88 WeakPolarHBondContact O-CG 3.5Å; L84-Q88 PolarHBondContact O-N 3.39Å |
| 85 | A | 97.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 104.6 Ų | 104.6 | 31% | 0.314 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -33.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | K81 E82 R89 | K81-A85 WeakPolarHBondContact O-CB 3.46Å; K81-A85 PolarHBondContact O-N 2.87Å; E82-A85 PolarHBondContact O-N 2.78Å; A85-R89 WeakPolarHBondContact O-CG 3.42Å; A85-R89 PolarHBondContact O-N 3.43Å; A85-R89 VanDerWaalsContact O-N 3.16Å; A85-R89 PolarHBondContact O-NE 2.88Å |
| 86 | K | 97.9 | Very high | 96.8 | Very high | 105 Ų | 105 | 105 Ų | 105 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 174 | -177.4 | -176.6 | 169.2 | -164.9 | 0 | 111.5 | E82 E83 L84 Q88 R89 E90 | E82-K86 WeakPolarHBondContact O-CB 3.44Å; E82-K86 PolarHBondContact O-N 2.88Å; E83-K86 PolarHBondContact O-N 3.31Å; E83-K86 IonicContact OE2-NZ 3.57Å; L84-K86 VanDerWaalsContact C-N 3.28Å; L84-K86 PolarHBondContact O-N 3.37Å; K86-Q88 VanDerWaalsContact C-N 3.31Å; K86-Q88 PolarHBondContact O-N 3.01Å; K86-R89 PolarHBondContact O-N 2.83Å; K86-E90 PolarHBondContact O-N 3.2Å |
| 87 | A | 97.1 | Very high | 97 | Very high | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E83 L84 E90 L91 | E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.22Å; L84-A87 PolarHBondContact O-N 3.31Å; A87-E90 PolarHBondContact O-N 3.45Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 PolarHBondContact O-N 3.44Å |
| 88 | Q | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 104 Ų | 104 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.3 | -75.1 | 173.6 | -16.4 | 0 | 0 | 112.7 | L84 K86 L91 L92 | L84-Q88 WeakPolarHBondContact O-CB 3.46Å; L84-Q88 VanDerWaalsContact O-CG 3.29Å; L84-Q88 WeakPolarHBondContact O-CG 3.5Å; L84-Q88 PolarHBondContact O-N 3.39Å; K86-Q88 VanDerWaalsContact C-N 3.31Å; K86-Q88 PolarHBondContact O-N 3.01Å; Q88-L91 PolarHBondContact O-N 3.21Å; Q88-L92 WeakPolarHBondContact O-CG 3.22Å; Q88-L92 PolarHBondContact O-N 3.26Å |
| 89 | R | 97.9 | Very high | 97.1 | Very high | 144 Ų | 144 | 105.3 Ų | 105.3 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.5 | -79.4 | 179.8 | -77.9 | 116.1 | -8.5 | 112.4 | A85 K86 L91 L92 L93 | A85-R89 WeakPolarHBondContact O-CG 3.42Å; A85-R89 PolarHBondContact O-N 3.43Å; A85-R89 VanDerWaalsContact O-N 3.16Å; A85-R89 PolarHBondContact O-NE 2.88Å; K86-R89 PolarHBondContact O-N 2.83Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L92 PolarHBondContact O-N 3.37Å; R89-L93 WeakPolarHBondContact O-CG 3.37Å; R89-L93 PolarHBondContact O-N 2.96Å; R89-L93 VanDerWaalsContact O-N 3.16Å |
| 90 | E | 97.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 177 | -170.4 | -177.8 | 153.4 | 0 | 0 | 111.6 | K86 A87 L93 K94 | K86-E90 PolarHBondContact O-N 3.2Å; A87-E90 PolarHBondContact O-N 3.45Å; E90-L93 PolarHBondContact O-N 3.02Å; E90-K94 WeakPolarHBondContact O-CG 3.38Å; E90-K94 PolarHBondContact O-N 2.88Å; E90-K94 VanDerWaalsContact O-N 3.08Å; E90-K94 VanDerWaalsContact OE1-CE 3.31Å; E90-K94 WeakPolarHBondContact OE1-CE 3.41Å; E90-K94 IonicContact OE1-NZ 3.7Å; E90-K94 PolarHBondContact OE1-NZ 3.23Å |
| 91 | L | 97.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.7 | -175.7 | 64.1 | 0 | 0 | 0 | 111.3 | A87 Q88 R89 L93 K94 D95 | A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 PolarHBondContact O-N 3.44Å; Q88-L91 PolarHBondContact O-N 3.21Å; R89-L91 VanDerWaalsContact C-N 3.32Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.5Å; L91-K94 CarbonylContact O-C 3.58Å; L91-K94 WeakPolarHBondContact O-CA 3.33Å; L91-K94 WeakPolarHBondContact O-CB 3.46Å; L91-K94 PolarHBondContact O-N 3.47Å; L91-D95 PolarHBondContact O-N 2.81Å |
| 92 | L | 97.8 | Very high | 97.4 | Very high | 104 Ų | 104 | 97.7 Ų | 97.7 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 177.7 | -74.9 | 171 | 0 | 0 | 0 | 112.6 | Q88 R89 K94 D95 E96 | Q88-L92 WeakPolarHBondContact O-CG 3.22Å; Q88-L92 PolarHBondContact O-N 3.26Å; R89-L92 PolarHBondContact O-N 3.37Å; L92-K94 VanDerWaalsContact C-N 3.29Å; L92-K94 PolarHBondContact O-N 3Å; L92-D95 PolarHBondContact O-N 2.6Å; L92-E96 WeakPolarHBondContact O-CG 3.23Å; L92-E96 PolarHBondContact O-N 3.45Å |
| 93 | L | 97.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 97.4 Ų | 97.4 | 60% | 0.602 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -36.1 | 176.4 | -70.4 | 172.7 | 0 | 0 | 0 | 112.2 | R89 E90 L91 E97 | R89-L93 WeakPolarHBondContact O-CG 3.37Å; R89-L93 PolarHBondContact O-N 2.96Å; R89-L93 VanDerWaalsContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 3.02Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.5Å; L93-E97 PolarHBondContact O-N 3.42Å; L93-E97 VanDerWaalsContact O-N 3.16Å |
| 94 | K | 97.4 | Very high | 97.5 | Very high | 114 Ų | 114 | 94.8 Ų | 94.8 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 174.3 | -73.4 | 177.9 | -175.1 | 162.3 | 0 | 111.6 | E90 L91 L92 E97 C98 | E90-K94 WeakPolarHBondContact O-CG 3.38Å; E90-K94 PolarHBondContact O-N 2.88Å; E90-K94 VanDerWaalsContact O-N 3.08Å; E90-K94 VanDerWaalsContact OE1-CE 3.31Å; E90-K94 WeakPolarHBondContact OE1-CE 3.41Å; E90-K94 IonicContact OE1-NZ 3.7Å; E90-K94 PolarHBondContact OE1-NZ 3.23Å; L91-K94 CarbonylContact O-C 3.58Å; L91-K94 WeakPolarHBondContact O-CA 3.33Å; L91-K94 WeakPolarHBondContact O-CB 3.46Å; L91-K94 PolarHBondContact O-N 3.47Å; L92-K94 VanDerWaalsContact C-N 3.29Å; L92-K94 PolarHBondContact O-N 3Å; K94-E97 PolarHBondContact O-N 3.06Å; K94-C98 WeakPolarHBondContact O-CB 3.44Å; K94-C98 PolarHBondContact O-N 2.92Å; K94-C98 PolarHBondContact O-SG 3.37Å; K94-C98 VanDerWaalsContact O-SG 3.35Å |
| 95 | D | 96.9 | Very high | 97.5 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.3 | -68.2 | -24.3 | 0 | 0 | 0 | 111 | L91 L92 E97 C98 E99 | L91-D95 PolarHBondContact O-N 2.81Å; L92-D95 PolarHBondContact O-N 2.6Å; D95-E97 PolarHBondContact O-N 3.49Å; D95-C98 WeakPolarHBondContact O-CB 3.39Å; D95-C98 PolarHBondContact O-N 3Å; D95-E99 WeakPolarHBondContact O-CG 3.32Å; D95-E99 PolarHBondContact O-N 3.23Å |
| 96 | E | 97.8 | Very high | 97.5 | Very high | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 174.8 | -72.9 | 176.2 | 178.2 | 0 | 0 | 112.5 | L92 E99 R100 | L92-E96 WeakPolarHBondContact O-CG 3.23Å; L92-E96 PolarHBondContact O-N 3.45Å; E96-E99 PolarHBondContact O-N 3.45Å; E96-R100 WeakPolarHBondContact O-CB 3.48Å; E96-R100 PolarHBondContact O-N 3.28Å |
| 97 | E | 96.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 100.8 Ų | 100.8 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 176.1 | -179.8 | 58.3 | -166.1 | 0 | 0 | 111.9 | L93 K94 D95 R100 L101 | L93-E97 PolarHBondContact O-N 3.42Å; L93-E97 VanDerWaalsContact O-N 3.16Å; K94-E97 PolarHBondContact O-N 3.06Å; D95-E97 PolarHBondContact O-N 3.49Å; E97-R100 WeakPolarHBondContact O-CB 3.18Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-R100 IonicContact OE1-CZ 3.94Å; E97-R100 IonicContact OE1-NE 3.72Å; E97-R100 PolarHBondContact OE1-NE 3.13Å; E97-R100 IonicContact OE1-NH2 2.81Å; E97-R100 PolarHBondContact OE1-NH2 3.15Å; E97-R100 IonicContact OE2-CZ 2.62Å; E97-R100 IonicContact OE2-NE 3.68Å; E97-R100 PolarHBondContact OE2-NE 2.85Å; E97-R100 IonicContact OE2-NH2 3.92Å; E97-L101 HydrophobicContact CG-CD1 4.23Å; E97-L101 WeakPolarHBondContact O-CB 3.24Å; E97-L101 VanDerWaalsContact O-CG 3.32Å; E97-L101 WeakPolarHBondContact O-CG 3.41Å; E97-L101 PolarHBondContact O-N 3.16Å |
| 98 | C | 95.6 | Very high | 97.5 | Very high | 77 Ų | 77 | 103 Ų | 103 | 52% | 0.52 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 173.5 | -79.1 | 0 | 0 | 0 | 0 | 111.7 | K94 D95 L101 S102 | K94-C98 WeakPolarHBondContact O-CB 3.44Å; K94-C98 PolarHBondContact O-N 2.92Å; K94-C98 PolarHBondContact O-SG 3.37Å; K94-C98 VanDerWaalsContact O-SG 3.35Å; D95-C98 WeakPolarHBondContact O-CB 3.39Å; D95-C98 PolarHBondContact O-N 3Å; C98-L101 PolarHBondContact O-N 3.4Å; C98-S102 WeakPolarHBondContact O-CB 3.32Å; C98-S102 PolarHBondContact O-N 2.62Å |
| 99 | E | 98.1 | Very high | 97.5 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 174.3 | -78.3 | -61.8 | 133.9 | 0 | 0 | 111.7 | D95 E96 S102 K103 | D95-E99 WeakPolarHBondContact O-CG 3.32Å; D95-E99 PolarHBondContact O-N 3.23Å; E96-E99 PolarHBondContact O-N 3.45Å; E99-S102 PolarHBondContact O-N 3.33Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 3.43Å; E99-K103 VanDerWaalsContact O-N 3.09Å |
| 100 | R | 98.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 98 Ų | 98 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.4 | -166.7 | -163.3 | 68.3 | 71.4 | 0.4 | 111.4 | E96 E97 S102 K103 V104 | E96-R100 WeakPolarHBondContact O-CB 3.48Å; E96-R100 PolarHBondContact O-N 3.28Å; E97-R100 WeakPolarHBondContact O-CB 3.18Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-R100 IonicContact OE1-CZ 3.94Å; E97-R100 IonicContact OE1-NE 3.72Å; E97-R100 PolarHBondContact OE1-NE 3.13Å; E97-R100 IonicContact OE1-NH2 2.81Å; E97-R100 PolarHBondContact OE1-NH2 3.15Å; E97-R100 IonicContact OE2-CZ 2.62Å; E97-R100 IonicContact OE2-NE 3.68Å; E97-R100 PolarHBondContact OE2-NE 2.85Å; E97-R100 IonicContact OE2-NH2 3.92Å; R100-S102 VanDerWaalsContact C-N 3.35Å; R100-K103 PolarHBondContact O-N 3.31Å; R100-V104 WeakPolarHBondContact O-CG2 3.41Å; R100-V104 PolarHBondContact O-N 3.2Å |
| 101 | L | 97.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 45% | 0.45 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 177.5 | -72.4 | 173.2 | 0 | 0 | 0 | 112.1 | E97 C98 V104 R105 | E97-L101 HydrophobicContact CG-CD1 4.23Å; E97-L101 WeakPolarHBondContact O-CB 3.24Å; E97-L101 VanDerWaalsContact O-CG 3.32Å; E97-L101 WeakPolarHBondContact O-CG 3.41Å; E97-L101 PolarHBondContact O-N 3.16Å; C98-L101 PolarHBondContact O-N 3.4Å; L101-V104 PolarHBondContact O-N 2.81Å; L101-R105 WeakPolarHBondContact O-CB 3.48Å; L101-R105 PolarHBondContact O-N 3.04Å |
| 102 | S | 97.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 100 Ų | 100 | 20% | 0.196 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.6 | -161.4 | 0 | 0 | 0 | 0 | 111.1 | C98 E99 R100 V104 R105 D106 | C98-S102 WeakPolarHBondContact O-CB 3.32Å; C98-S102 PolarHBondContact O-N 2.62Å; E99-S102 PolarHBondContact O-N 3.33Å; R100-S102 VanDerWaalsContact C-N 3.35Å; S102-V104 VanDerWaalsContact C-N 3.33Å; S102-V104 PolarHBondContact O-N 3.41Å; S102-R105 WeakPolarHBondContact O-CB 3.41Å; S102-R105 PolarHBondContact O-N 2.97Å; S102-R105 VanDerWaalsContact O-N 3.14Å; S102-R105 PolarHBondContact OG-NH2 3.46Å; S102-D106 PolarHBondContact O-N 3.27Å |
| 103 | K | 98.3 | Very high | 97.5 | Very high | 128 Ų | 128 | 102 Ų | 102 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -40.8 | 176.4 | -69.5 | 171.7 | -175.2 | 172.5 | 0 | 112.9 | E99 R100 D106 Q107 | E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 3.43Å; E99-K103 VanDerWaalsContact O-N 3.09Å; R100-K103 PolarHBondContact O-N 3.31Å; K103-D106 PolarHBondContact O-N 3.04Å; K103-Q107 VanDerWaalsContact O-CG 3.29Å; K103-Q107 WeakPolarHBondContact O-CG 3.28Å; K103-Q107 PolarHBondContact O-N 3.3Å |
| 104 | V | 98.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 102 Ų | 102 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | R100 L101 S102 D106 Q107 L108 | R100-V104 WeakPolarHBondContact O-CG2 3.41Å; R100-V104 PolarHBondContact O-N 3.2Å; L101-V104 PolarHBondContact O-N 2.81Å; S102-V104 VanDerWaalsContact C-N 3.33Å; S102-V104 PolarHBondContact O-N 3.41Å; V104-D106 VanDerWaalsContact C-N 3.34Å; V104-D106 PolarHBondContact O-N 2.95Å; V104-Q107 PolarHBondContact O-N 3.48Å; V104-L108 HydrophobicContact CG1-CD1 4.08Å; V104-L108 HydrophobicContact CG1-CG 4.45Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.85Å |
| 105 | R | 97.6 | Very high | 97.5 | Very high | 159 Ų | 159 | 101.2 Ų | 101.2 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 177.4 | 176.6 | -102.1 | -50.8 | -78.5 | -6.5 | 111.7 | L101 S102 G109 | L101-R105 WeakPolarHBondContact O-CB 3.48Å; L101-R105 PolarHBondContact O-N 3.04Å; S102-R105 WeakPolarHBondContact O-CB 3.41Å; S102-R105 PolarHBondContact O-N 2.97Å; S102-R105 VanDerWaalsContact O-N 3.14Å; S102-R105 PolarHBondContact OG-NH2 3.46Å; R105-G109 PolarHBondContact O-N 3.49Å |
| 106 | D | 97.6 | Very high | 97.5 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 177.3 | -59.6 | -19.8 | 0 | 0 | 0 | 111.5 | S102 K103 V104 G109 Q110 | S102-D106 PolarHBondContact O-N 3.27Å; K103-D106 PolarHBondContact O-N 3.04Å; V104-D106 VanDerWaalsContact C-N 3.34Å; V104-D106 PolarHBondContact O-N 2.95Å; D106-G109 PolarHBondContact O-N 3.14Å; D106-Q110 PolarHBondContact O-N 2.92Å |
| 107 | Q | 98 | Very high | 97.4 | Very high | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 173.9 | -74.2 | 170.2 | 5.2 | 0 | 0 | 112.2 | K103 V104 G109 Q110 E111 | K103-Q107 VanDerWaalsContact O-CG 3.29Å; K103-Q107 WeakPolarHBondContact O-CG 3.28Å; K103-Q107 PolarHBondContact O-N 3.3Å; V104-Q107 PolarHBondContact O-N 3.48Å; Q107-G109 VanDerWaalsContact C-N 3.25Å; Q107-G109 PolarHBondContact O-N 3.17Å; Q107-Q110 PolarHBondContact O-N 3.28Å; Q107-E111 PolarHBondContact O-N 3.45Å |
| 108 | L | 97.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 95.1 Ų | 95.1 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 176 | -70.1 | 175 | 0 | 0 | 0 | 111.8 | V104 L112 | V104-L108 HydrophobicContact CG1-CD1 4.08Å; V104-L108 HydrophobicContact CG1-CG 4.45Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.85Å; L108-L112 VanDerWaalsContact O-CB 3.32Å; L108-L112 WeakPolarHBondContact O-CB 3.38Å; L108-L112 PolarHBondContact O-N 3Å |
| 109 | G | 95.8 | Very high | 97.5 | Very high | 38 Ų | 38 | 96.6 Ų | 96.6 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R105 D106 Q107 L112 E113 | R105-G109 PolarHBondContact O-N 3.49Å; D106-G109 PolarHBondContact O-N 3.14Å; Q107-G109 VanDerWaalsContact C-N 3.25Å; Q107-G109 PolarHBondContact O-N 3.17Å; G109-L112 PolarHBondContact O-N 3.27Å; G109-E113 PolarHBondContact O-N 3.47Å |
| 110 | Q | 98.1 | Very high | 97.5 | Very high | 113 Ų | 113 | 97.2 Ų | 97.2 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 176.8 | -174 | 178.6 | -4.1 | 0 | 0 | 112.2 | D106 Q107 L112 E113 E114 | D106-Q110 PolarHBondContact O-N 2.92Å; Q107-Q110 PolarHBondContact O-N 3.28Å; Q110-L112 PolarHBondContact O-N 3.5Å; Q110-E113 PolarHBondContact O-N 3.01Å; Q110-E113 VanDerWaalsContact O-N 3.13Å; Q110-E114 PolarHBondContact NE2-OE1 3.32Å; Q110-E114 VanDerWaalsContact NE2-OE1 3.1Å; Q110-E114 WeakPolarHBondContact O-CG 3.43Å; Q110-E114 PolarHBondContact O-N 3.26Å |
| 111 | E | 97.8 | Very high | 97.5 | Very high | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -38.4 | 176.2 | -71.7 | -177.9 | 179.4 | 0 | 0 | 111.6 | Q107 L115 | Q107-E111 PolarHBondContact O-N 3.45Å; E111-L115 WeakPolarHBondContact O-CB 3.28Å; E111-L115 PolarHBondContact O-N 2.98Å |
| 112 | L | 97.6 | Very high | 97.5 | Very high | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 176.1 | -175.8 | 65.5 | 0 | 0 | 0 | 111.8 | L108 G109 Q110 T116 | L108-L112 VanDerWaalsContact O-CB 3.32Å; L108-L112 WeakPolarHBondContact O-CB 3.38Å; L108-L112 PolarHBondContact O-N 3Å; G109-L112 PolarHBondContact O-N 3.27Å; Q110-L112 PolarHBondContact O-N 3.5Å; L112-T116 VanDerWaalsContact O-CB 3.22Å; L112-T116 WeakPolarHBondContact O-CB 3.45Å; L112-T116 PolarHBondContact O-N 2.84Å; L112-T116 PolarHBondContact O-OG1 2.86Å |
| 113 | E | 96.9 | Very high | 97.4 | Very high | 144 Ų | 144 | 98.9 Ų | 98.9 | 67% | 0.673 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | 176.5 | -173.6 | 176.3 | 178.6 | 0 | 0 | 111.2 | G109 Q110 T116 A117 | G109-E113 PolarHBondContact O-N 3.47Å; Q110-E113 PolarHBondContact O-N 3.01Å; Q110-E113 VanDerWaalsContact O-N 3.13Å; E113-T116 PolarHBondContact O-N 3.48Å; E113-A117 WeakPolarHBondContact O-CB 3.34Å; E113-A117 PolarHBondContact O-N 3.31Å |
| 114 | E | 96.8 | Very high | 97.4 | Very high | 115 Ų | 115 | 98.7 Ų | 98.7 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 177.6 | -71.7 | 177.8 | -166.6 | 0 | 0 | 111.9 | Q110 T116 A117 S118 | Q110-E114 PolarHBondContact NE2-OE1 3.32Å; Q110-E114 VanDerWaalsContact NE2-OE1 3.1Å; Q110-E114 WeakPolarHBondContact O-CG 3.43Å; Q110-E114 PolarHBondContact O-N 3.26Å; E114-T116 VanDerWaalsContact C-N 3.34Å; E114-T116 PolarHBondContact O-N 3.42Å; E114-A117 PolarHBondContact O-N 3.07Å; E114-S118 PolarHBondContact O-N 2.77Å |
| 115 | L | 97.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.3 | 179.5 | 61.5 | 0 | 0 | 0 | 111.2 | E111 A117 S118 L119 | E111-L115 WeakPolarHBondContact O-CB 3.28Å; E111-L115 PolarHBondContact O-N 2.98Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-A117 PolarHBondContact O-N 3.12Å; L115-S118 WeakPolarHBondContact O-CB 3.29Å; L115-S118 PolarHBondContact O-N 3.38Å; L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 4.21Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 WeakPolarHBondContact O-CG 3.33Å; L115-L119 PolarHBondContact O-N 3.02Å |
| 116 | T | 97.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 98 Ų | 98 | 34% | 0.344 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | L112 E113 E114 S118 L119 F120 | L112-T116 VanDerWaalsContact O-CB 3.22Å; L112-T116 WeakPolarHBondContact O-CB 3.45Å; L112-T116 PolarHBondContact O-N 2.84Å; L112-T116 PolarHBondContact O-OG1 2.86Å; E113-T116 PolarHBondContact O-N 3.48Å; E114-T116 VanDerWaalsContact C-N 3.34Å; E114-T116 PolarHBondContact O-N 3.42Å; T116-S118 VanDerWaalsContact C-N 3.35Å; T116-S118 PolarHBondContact O-N 3.16Å; T116-L119 PolarHBondContact O-N 3.39Å; T116-F120 HydrophobicContact CG2-CD2 3.81Å; T116-F120 HydrophobicContact CG2-CE2 3.54Å; T116-F120 WeakPolarHBondContact O-CD2 3.49Å; T116-F120 PolarHBondContact O-N 3Å |
| 117 | A | 96.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 97.4 Ų | 97.4 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E113 E114 L115 F120 Q121 | E113-A117 WeakPolarHBondContact O-CB 3.34Å; E113-A117 PolarHBondContact O-N 3.31Å; E114-A117 PolarHBondContact O-N 3.07Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-A117 PolarHBondContact O-N 3.12Å; A117-F120 PolarHBondContact O-N 2.97Å; A117-Q121 WeakPolarHBondContact O-CG 3.04Å; A117-Q121 PolarHBondContact O-N 3.41Å |
| 118 | S | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 99.5 Ų | 99.5 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | E114 L115 T116 F120 Q121 E122 | E114-S118 PolarHBondContact O-N 2.77Å; L115-S118 WeakPolarHBondContact O-CB 3.29Å; L115-S118 PolarHBondContact O-N 3.38Å; T116-S118 VanDerWaalsContact C-N 3.35Å; T116-S118 PolarHBondContact O-N 3.16Å; S118-F120 PolarHBondContact O-N 2.92Å; S118-Q121 PolarHBondContact O-N 3.27Å; S118-E122 PolarHBondContact O-N 2.86Å |
| 119 | L | 96.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 98.9 Ų | 98.9 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 177.6 | -71.5 | 175.2 | 0 | 0 | 0 | 112.1 | L115 T116 E122 A123 | L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 4.21Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 WeakPolarHBondContact O-CG 3.33Å; L115-L119 PolarHBondContact O-N 3.02Å; T116-L119 PolarHBondContact O-N 3.39Å; L119-E122 PolarHBondContact O-N 2.77Å; L119-A123 WeakPolarHBondContact O-CB 3.43Å; L119-A123 PolarHBondContact O-N 2.91Å |
| 120 | F | 97.9 | Very high | 97.4 | Very high | 132 Ų | 132 | 99.6 Ų | 99.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 174.8 | -82 | -63.4 | 0 | 0 | 0 | 112.3 | T116 A117 S118 A123 H124 | T116-F120 HydrophobicContact CG2-CD2 3.81Å; T116-F120 HydrophobicContact CG2-CE2 3.54Å; T116-F120 WeakPolarHBondContact O-CD2 3.49Å; T116-F120 PolarHBondContact O-N 3Å; A117-F120 PolarHBondContact O-N 2.97Å; S118-F120 PolarHBondContact O-N 2.92Å; F120-A123 PolarHBondContact O-N 2.92Å; F120-H124 WeakPolarHBondContact O-CB 3.44Å; F120-H124 PolarHBondContact O-CD2 3.2Å; F120-H124 PolarHBondContact O-N 2.97Å |
| 121 | Q | 97.4 | Very high | 97.3 | Very high | 138 Ų | 138 | 98.5 Ų | 98.5 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 176.2 | -71.7 | 174 | 9.3 | 0 | 0 | 111.7 | A117 S118 H124 K125 | A117-Q121 WeakPolarHBondContact O-CG 3.04Å; A117-Q121 PolarHBondContact O-N 3.41Å; S118-Q121 PolarHBondContact O-N 3.27Å; Q121-H124 PolarHBondContact O-N 2.84Å; Q121-K125 WeakPolarHBondContact O-CB 3.41Å; Q121-K125 PolarHBondContact O-N 3.4Å |
| 122 | E | 97.6 | Very high | 97.3 | Very high | 84 Ų | 84 | 97.6 Ų | 97.6 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 178.7 | -165.9 | 60.3 | -152.1 | 0 | 0 | 111.4 | S118 L119 H124 K125 M126 | S118-E122 PolarHBondContact O-N 2.86Å; L119-E122 PolarHBondContact O-N 2.77Å; E122-H124 PolarHBondContact O-N 2.98Å; E122-K125 WeakPolarHBondContact O-CB 3.49Å; E122-K125 PolarHBondContact O-N 3.44Å; E122-K125 VanDerWaalsContact O-N 3.15Å; E122-K125 IonicContact OE1-NZ 3.77Å; E122-K125 PolarHBondContact OE1-NZ 3.21Å; E122-K125 IonicContact OE2-NZ 3.22Å; E122-K125 PolarHBondContact OE2-NZ 2.85Å; E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 3.17Å |
| 123 | A | 96.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L119 F120 K125 M126 V127 | L119-A123 WeakPolarHBondContact O-CB 3.43Å; L119-A123 PolarHBondContact O-N 2.91Å; F120-A123 PolarHBondContact O-N 2.92Å; A123-K125 VanDerWaalsContact C-N 3.27Å; A123-K125 PolarHBondContact O-N 3.02Å; A123-M126 PolarHBondContact O-N 3.25Å; A123-V127 WeakPolarHBondContact O-CG2 3.28Å; A123-V127 PolarHBondContact O-N 2.92Å |
| 124 | H | 97.4 | Very high | 97.3 | Very high | 124 Ų | 124 | 97.2 Ų | 97.2 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -33.7 | 175.4 | -86.6 | -64.6 | 0 | 0 | 0 | 113 | F120 Q121 E122 R128 | F120-H124 WeakPolarHBondContact O-CB 3.44Å; F120-H124 PolarHBondContact O-CD2 3.2Å; F120-H124 PolarHBondContact O-N 2.97Å; Q121-H124 PolarHBondContact O-N 2.84Å; E122-H124 PolarHBondContact O-N 2.98Å; H124-R128 WeakPolarHBondContact O-CB 3.47Å; H124-R128 WeakPolarHBondContact O-CG 3.43Å; H124-R128 PolarHBondContact O-N 2.87Å; H124-R128 VanDerWaalsContact O-N 3.12Å; H124-R128 PolarHBondContact O-NE 2.76Å |
| 125 | K | 98 | Very high | 97.4 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -49 | 174 | 175.7 | 176.3 | 153.7 | -130.4 | 0 | 111.1 | Q121 E122 A123 V127 R128 E129 | Q121-K125 WeakPolarHBondContact O-CB 3.41Å; Q121-K125 PolarHBondContact O-N 3.4Å; E122-K125 WeakPolarHBondContact O-CB 3.49Å; E122-K125 PolarHBondContact O-N 3.44Å; E122-K125 VanDerWaalsContact O-N 3.15Å; E122-K125 IonicContact OE1-NZ 3.77Å; E122-K125 PolarHBondContact OE1-NZ 3.21Å; E122-K125 IonicContact OE2-NZ 3.22Å; E122-K125 PolarHBondContact OE2-NZ 2.85Å; A123-K125 VanDerWaalsContact C-N 3.27Å; A123-K125 PolarHBondContact O-N 3.02Å; K125-V127 VanDerWaalsContact C-N 3.32Å; K125-V127 PolarHBondContact O-N 3.05Å; K125-R128 PolarHBondContact O-N 3.37Å; K125-R128 VanDerWaalsContact O-N 3.15Å; K125-E129 VanDerWaalsContact CE-OE1 3.27Å; K125-E129 WeakPolarHBondContact CE-OE1 3.44Å; K125-E129 WeakPolarHBondContact O-CG 3.33Å; K125-E129 PolarHBondContact O-N 3.36Å |
| 126 | M | 96.3 | Very high | 97.4 | Very high | 120 Ų | 120 | 93.9 Ų | 93.9 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.8 | -43 | 177.7 | -70.4 | 176.2 | 64.4 | 0 | 0 | 112.3 | E122 A123 E129 A130 | E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 3.17Å; A123-M126 PolarHBondContact O-N 3.25Å; M126-E129 PolarHBondContact O-N 3.43Å; M126-A130 WeakPolarHBondContact O-CB 3.45Å; M126-A130 PolarHBondContact O-N 3.48Å |
| 127 | V | 98.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 93.9 Ų | 93.9 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | A123 K125 E129 A130 N131 | A123-V127 WeakPolarHBondContact O-CG2 3.28Å; A123-V127 PolarHBondContact O-N 2.92Å; K125-V127 VanDerWaalsContact C-N 3.32Å; K125-V127 PolarHBondContact O-N 3.05Å; V127-E129 PolarHBondContact O-N 3.06Å; V127-A130 PolarHBondContact O-N 3.1Å; V127-N131 VanDerWaalsContact O-CG 3.26Å; V127-N131 PolarHBondContact O-N 3.36Å |
| 128 | R | 97.4 | Very high | 97.4 | Very high | 162 Ų | 162 | 96.8 Ų | 96.8 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 176.3 | -78.7 | -175.7 | -66.4 | 158.4 | -2.2 | 111.9 | H124 K125 A130 N131 V132 | H124-R128 WeakPolarHBondContact O-CB 3.47Å; H124-R128 WeakPolarHBondContact O-CG 3.43Å; H124-R128 PolarHBondContact O-N 2.87Å; H124-R128 VanDerWaalsContact O-N 3.12Å; H124-R128 PolarHBondContact O-NE 2.76Å; K125-R128 PolarHBondContact O-N 3.37Å; K125-R128 VanDerWaalsContact O-N 3.15Å; R128-A130 VanDerWaalsContact C-N 3.33Å; R128-A130 PolarHBondContact O-N 2.88Å; R128-N131 PolarHBondContact O-N 3.37Å; R128-V132 WeakPolarHBondContact O-CG2 3.38Å; R128-V132 PolarHBondContact O-N 3.46Å |
| 129 | E | 97.6 | Very high | 97.4 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.7 | -72.5 | -179.6 | -166.2 | 0 | 0 | 112.1 | K125 M126 V127 V132 K133 | K125-E129 VanDerWaalsContact CE-OE1 3.27Å; K125-E129 WeakPolarHBondContact CE-OE1 3.44Å; K125-E129 WeakPolarHBondContact O-CG 3.33Å; K125-E129 PolarHBondContact O-N 3.36Å; M126-E129 PolarHBondContact O-N 3.43Å; V127-E129 PolarHBondContact O-N 3.06Å; E129-V132 PolarHBondContact O-N 3.36Å; E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 VanDerWaalsContact O-CG 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.39Å; E129-K133 PolarHBondContact O-N 2.66Å |
| 130 | A | 97 | Very high | 97.4 | Very high | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | M126 V127 R128 V132 K133 Q134 | M126-A130 WeakPolarHBondContact O-CB 3.45Å; M126-A130 PolarHBondContact O-N 3.48Å; V127-A130 PolarHBondContact O-N 3.1Å; R128-A130 VanDerWaalsContact C-N 3.33Å; R128-A130 PolarHBondContact O-N 2.88Å; A130-V132 PolarHBondContact O-N 3.06Å; A130-K133 PolarHBondContact O-N 2.92Å; A130-Q134 WeakPolarHBondContact O-CB 3.38Å; A130-Q134 PolarHBondContact O-N 3.17Å |
| 131 | N | 96.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 98.7 Ų | 98.7 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 178.7 | -69.9 | -10 | 0 | 0 | 0 | 112.2 | V127 R128 Q134 A135 | V127-N131 VanDerWaalsContact O-CG 3.26Å; V127-N131 PolarHBondContact O-N 3.36Å; R128-N131 PolarHBondContact O-N 3.37Å; N131-Q134 PolarHBondContact O-N 3.08Å; N131-A135 WeakPolarHBondContact O-CB 3.11Å; N131-A135 PolarHBondContact O-N 2.58Å |
| 132 | V | 98.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 100 Ų | 100 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 111 | R128 E129 A130 A135 N136 | R128-V132 WeakPolarHBondContact O-CG2 3.38Å; R128-V132 PolarHBondContact O-N 3.46Å; E129-V132 PolarHBondContact O-N 3.36Å; A130-V132 PolarHBondContact O-N 3.06Å; V132-A135 PolarHBondContact O-N 3.48Å; V132-N136 WeakPolarHBondContact O-CB 3.31Å; V132-N136 PolarHBondContact O-N 3.22Å |
| 133 | K | 97.8 | Very high | 97.5 | Very high | 143 Ų | 143 | 100.8 Ų | 100.8 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 176.2 | -73.9 | 171 | -176.4 | 169.1 | 0 | 111.3 | E129 A130 N136 A137 | E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 VanDerWaalsContact O-CG 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.39Å; E129-K133 PolarHBondContact O-N 2.66Å; A130-K133 PolarHBondContact O-N 2.92Å; K133-N136 PolarHBondContact O-N 2.9Å; K133-A137 PolarHBondContact O-N 2.97Å |
| 134 | Q | 97.5 | Very high | 97.5 | Very high | 107 Ų | 107 | 100.6 Ų | 100.6 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 175.9 | -179.6 | 178 | -7.4 | 0 | 0 | 111.4 | A130 N131 N136 A137 E138 | A130-Q134 WeakPolarHBondContact O-CB 3.38Å; A130-Q134 PolarHBondContact O-N 3.17Å; N131-Q134 PolarHBondContact O-N 3.08Å; Q134-N136 VanDerWaalsContact C-N 3.27Å; Q134-N136 PolarHBondContact O-N 2.89Å; Q134-A137 PolarHBondContact O-N 3.31Å; Q134-A137 VanDerWaalsContact O-N 3.12Å; Q134-E138 HydrophobicContact CG-CG 4.35Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.37Å; Q134-E138 PolarHBondContact NE2-OE1 3.23Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 2.96Å |
| 135 | A | 97.8 | Very high | 97.5 | Very high | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N131 V132 K139 | N131-A135 WeakPolarHBondContact O-CB 3.11Å; N131-A135 PolarHBondContact O-N 2.58Å; V132-A135 PolarHBondContact O-N 3.48Å; A135-K139 WeakPolarHBondContact O-CB 3.41Å; A135-K139 PolarHBondContact O-N 3.22Å |
| 136 | N | 97.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 175.8 | -167 | 12.2 | 0 | 0 | 0 | 111.9 | V132 K133 Q134 K139 Q140 | V132-N136 WeakPolarHBondContact O-CB 3.31Å; V132-N136 PolarHBondContact O-N 3.22Å; K133-N136 PolarHBondContact O-N 2.9Å; Q134-N136 VanDerWaalsContact C-N 3.27Å; Q134-N136 PolarHBondContact O-N 2.89Å; N136-K139 PolarHBondContact O-N 3.39Å; N136-Q140 WeakPolarHBondContact O-CG 3.48Å; N136-Q140 PolarHBondContact O-N 2.76Å; N136-Q140 PolarHBondContact OD1-NE2 3.09Å |
| 137 | A | 96.7 | Very high | 97.5 | Very high | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K133 Q134 K139 Q140 L141 | K133-A137 PolarHBondContact O-N 2.97Å; Q134-A137 PolarHBondContact O-N 3.31Å; Q134-A137 VanDerWaalsContact O-N 3.12Å; A137-K139 VanDerWaalsContact C-N 3.33Å; A137-K139 PolarHBondContact O-N 3.05Å; A137-Q140 PolarHBondContact O-N 2.86Å; A137-L141 WeakPolarHBondContact O-CB 3.3Å; A137-L141 PolarHBondContact O-N 3.31Å |
| 138 | E | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.7 | -73.6 | 175.5 | -178.2 | 0 | 0 | 111.9 | Q134 L141 K142 | Q134-E138 HydrophobicContact CG-CG 4.35Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.37Å; Q134-E138 PolarHBondContact NE2-OE1 3.23Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 2.96Å; E138-L141 PolarHBondContact O-N 3.3Å; E138-K142 PolarHBondContact O-N 2.83Å |
| 139 | K | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 94.5 Ų | 94.5 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -48.5 | 173.7 | -177.2 | -177 | 173.4 | -173 | 0 | 111.4 | A135 N136 A137 L141 K142 E143 | A135-K139 WeakPolarHBondContact O-CB 3.41Å; A135-K139 PolarHBondContact O-N 3.22Å; N136-K139 PolarHBondContact O-N 3.39Å; A137-K139 VanDerWaalsContact C-N 3.33Å; A137-K139 PolarHBondContact O-N 3.05Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-L141 PolarHBondContact O-N 2.71Å; K139-K142 PolarHBondContact O-N 3.18Å; K139-E143 WeakPolarHBondContact CE-OE1 3.38Å; K139-E143 WeakPolarHBondContact O-CG 3.21Å; K139-E143 PolarHBondContact O-N 2.94Å |
| 140 | Q | 97.5 | Very high | 97.5 | Very high | 110 Ų | 110 | 94.3 Ų | 94.3 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 178.6 | -70.8 | 174.7 | 21.3 | 0 | 0 | 112 | N136 A137 E143 A144 | N136-Q140 WeakPolarHBondContact O-CG 3.48Å; N136-Q140 PolarHBondContact O-N 2.76Å; N136-Q140 PolarHBondContact OD1-NE2 3.09Å; A137-Q140 PolarHBondContact O-N 2.86Å; Q140-E143 PolarHBondContact O-N 2.9Å; Q140-A144 WeakPolarHBondContact O-CB 3.34Å; Q140-A144 PolarHBondContact O-N 3.24Å |
| 141 | L | 97.8 | Very high | 97.5 | Very high | 106 Ų | 106 | 96.5 Ų | 96.5 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | 174.3 | 178.8 | 63.7 | 0 | 0 | 0 | 111 | A137 E138 K139 E143 A144 L145 | A137-L141 WeakPolarHBondContact O-CB 3.3Å; A137-L141 PolarHBondContact O-N 3.31Å; E138-L141 PolarHBondContact O-N 3.3Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-L141 PolarHBondContact O-N 2.71Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 2.84Å; L141-A144 PolarHBondContact O-N 2.85Å; L141-L145 HydrophobicContact CD1-CD1 4.41Å; L141-L145 HydrophobicContact CD1-CG 4.34Å; L141-L145 HydrophobicContact CG-CD1 4.11Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 3.01Å |
| 142 | K | 98.1 | Very high | 97.5 | Very high | 165 Ų | 165 | 98 Ų | 98 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 178.1 | -171 | 174.2 | -177.1 | 174.6 | 0 | 112.3 | E138 K139 L145 G146 | E138-K142 PolarHBondContact O-N 2.83Å; K139-K142 PolarHBondContact O-N 3.18Å; K142-L145 PolarHBondContact O-N 3.34Å; K142-G146 PolarHBondContact O-N 2.83Å |
| 143 | E | 97.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 95.8 Ų | 95.8 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.1 | -70.5 | 175.1 | -171.7 | 0 | 0 | 112.1 | K139 Q140 L141 G146 K147 | K139-E143 WeakPolarHBondContact CE-OE1 3.38Å; K139-E143 WeakPolarHBondContact O-CG 3.21Å; K139-E143 PolarHBondContact O-N 2.94Å; Q140-E143 PolarHBondContact O-N 2.9Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 2.84Å; E143-G146 PolarHBondContact O-N 3.37Å; E143-K147 WeakPolarHBondContact O-CG 3.47Å; E143-K147 PolarHBondContact O-N 3.29Å; E143-K147 VanDerWaalsContact O-N 3.14Å |
| 144 | A | 97.3 | Very high | 97.2 | Very high | 44 Ų | 44 | 94 Ų | 94 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q140 L141 G146 K147 I148 | Q140-A144 WeakPolarHBondContact O-CB 3.34Å; Q140-A144 PolarHBondContact O-N 3.24Å; L141-A144 PolarHBondContact O-N 2.85Å; A144-G146 VanDerWaalsContact C-N 3.35Å; A144-G146 PolarHBondContact O-N 3.08Å; A144-K147 WeakPolarHBondContact O-CB 3.38Å; A144-K147 PolarHBondContact O-N 3.22Å; A144-I148 WeakPolarHBondContact O-CG1 3.44Å; A144-I148 PolarHBondContact O-N 2.92Å |
| 145 | L | 96.7 | Very high | 97.2 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.4 | -73 | 171.8 | 0 | 0 | 0 | 111.1 | L141 K142 K147 I148 D149 | L141-L145 HydrophobicContact CD1-CD1 4.41Å; L141-L145 HydrophobicContact CD1-CG 4.34Å; L141-L145 HydrophobicContact CG-CD1 4.11Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 3.01Å; K142-L145 PolarHBondContact O-N 3.34Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 3.16Å; L145-I148 WeakPolarHBondContact O-CA 3.48Å; L145-I148 WeakPolarHBondContact O-CB 3.47Å; L145-I148 PolarHBondContact O-N 2.89Å; L145-D149 PolarHBondContact O-N 2.72Å |
| 146 | G | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 97.3 Ų | 97.3 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K142 E143 A144 D149 V150 | K142-G146 PolarHBondContact O-N 2.83Å; E143-G146 PolarHBondContact O-N 3.37Å; A144-G146 VanDerWaalsContact C-N 3.35Å; A144-G146 PolarHBondContact O-N 3.08Å; G146-D149 PolarHBondContact O-N 3.37Å; G146-V150 WeakPolarHBondContact O-CG2 3.47Å; G146-V150 PolarHBondContact O-N 3.04Å |
| 147 | K | 97.7 | Very high | 96.9 | Very high | 140 Ų | 140 | 95.7 Ų | 95.7 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 172.8 | -70.4 | 174.3 | -177.3 | 174.1 | 0 | 112.1 | E143 A144 L145 D149 V150 L151 | E143-K147 WeakPolarHBondContact O-CG 3.47Å; E143-K147 PolarHBondContact O-N 3.29Å; E143-K147 VanDerWaalsContact O-N 3.14Å; A144-K147 WeakPolarHBondContact O-CB 3.38Å; A144-K147 PolarHBondContact O-N 3.22Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 3.16Å; K147-D149 VanDerWaalsContact C-N 3.34Å; K147-V150 PolarHBondContact O-N 3.44Å; K147-L151 WeakPolarHBondContact O-CB 3.3Å; K147-L151 VanDerWaalsContact O-CG 3.28Å; K147-L151 WeakPolarHBondContact O-CG 3.47Å; K147-L151 PolarHBondContact O-N 2.87Å |
| 148 | I | 97.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.1 | -69.9 | 168.8 | 0 | 0 | 0 | 110.1 | A144 L145 V150 L151 Q152 | A144-I148 WeakPolarHBondContact O-CG1 3.44Å; A144-I148 PolarHBondContact O-N 2.92Å; L145-I148 WeakPolarHBondContact O-CA 3.48Å; L145-I148 WeakPolarHBondContact O-CB 3.47Å; L145-I148 PolarHBondContact O-N 2.89Å; I148-V150 PolarHBondContact O-N 2.9Å; I148-L151 PolarHBondContact O-N 3.3Å; I148-Q152 HydrophobicContact CG2-CG 4.16Å; I148-Q152 WeakPolarHBondContact O-CB 3.37Å; I148-Q152 VanDerWaalsContact O-CG 3.32Å; I148-Q152 WeakPolarHBondContact O-CG 3.4Å; I148-Q152 PolarHBondContact O-N 3.34Å |
| 149 | D | 97.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 179.6 | -66.2 | -19.6 | 0 | 0 | 0 | 111.9 | L145 G146 K147 Q152 A153 | L145-D149 PolarHBondContact O-N 2.72Å; G146-D149 PolarHBondContact O-N 3.37Å; K147-D149 VanDerWaalsContact C-N 3.34Å; D149-Q152 PolarHBondContact O-N 3.28Å; D149-A153 PolarHBondContact O-N 3.38Å |
| 150 | V | 97.6 | Very high | 96.3 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | G146 K147 I148 Q152 A153 E154 | G146-V150 WeakPolarHBondContact O-CG2 3.47Å; G146-V150 PolarHBondContact O-N 3.04Å; K147-V150 PolarHBondContact O-N 3.44Å; I148-V150 PolarHBondContact O-N 2.9Å; V150-Q152 VanDerWaalsContact C-N 3.33Å; V150-Q152 PolarHBondContact O-N 3.12Å; V150-A153 WeakPolarHBondContact O-CB 3.23Å; V150-A153 PolarHBondContact O-N 3.41Å; V150-E154 WeakPolarHBondContact O-CG 3.41Å; V150-E154 PolarHBondContact O-N 3.01Å |
| 151 | L | 96.7 | Very high | 95.8 | Very high | 99 Ų | 99 | 97.7 Ų | 97.7 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 179.2 | -71.4 | 172 | 0 | 0 | 0 | 112.2 | K147 I148 E154 V155 | K147-L151 WeakPolarHBondContact O-CB 3.3Å; K147-L151 VanDerWaalsContact O-CG 3.28Å; K147-L151 WeakPolarHBondContact O-CG 3.47Å; K147-L151 PolarHBondContact O-N 2.87Å; I148-L151 PolarHBondContact O-N 3.3Å; L151-E154 PolarHBondContact O-N 3.01Å; L151-V155 WeakPolarHBondContact O-CB 3.37Å; L151-V155 VanDerWaalsContact O-CG2 3.28Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.27Å |
| 152 | Q | 96.2 | Very high | 95.4 | Very high | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 174.8 | -77.5 | -179.1 | -1.5 | 0 | 0 | 111.4 | I148 D149 V150 V155 Q156 | I148-Q152 HydrophobicContact CG2-CG 4.16Å; I148-Q152 WeakPolarHBondContact O-CB 3.37Å; I148-Q152 VanDerWaalsContact O-CG 3.32Å; I148-Q152 WeakPolarHBondContact O-CG 3.4Å; I148-Q152 PolarHBondContact O-N 3.34Å; D149-Q152 PolarHBondContact O-N 3.28Å; V150-Q152 VanDerWaalsContact C-N 3.33Å; V150-Q152 PolarHBondContact O-N 3.12Å; Q152-V155 PolarHBondContact O-N 3.35Å; Q152-Q156 WeakPolarHBondContact O-CB 3.43Å; Q152-Q156 PolarHBondContact O-N 3.01Å |
| 153 | A | 96.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D149 V150 Q156 A157 | D149-A153 PolarHBondContact O-N 3.38Å; V150-A153 WeakPolarHBondContact O-CB 3.23Å; V150-A153 PolarHBondContact O-N 3.41Å; A153-Q156 PolarHBondContact O-N 3.46Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 2.86Å |
| 154 | E | 94.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 95.4 Ų | 95.4 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.2 | -72.8 | 179.1 | -175.5 | 0 | 0 | 112.1 | V150 L151 Q156 A157 L158 | V150-E154 WeakPolarHBondContact O-CG 3.41Å; V150-E154 PolarHBondContact O-N 3.01Å; L151-E154 PolarHBondContact O-N 3.01Å; E154-Q156 VanDerWaalsContact C-N 3.3Å; E154-Q156 PolarHBondContact O-N 2.81Å; E154-A157 PolarHBondContact O-N 2.74Å; E154-L158 WeakPolarHBondContact O-CB 3.4Å; E154-L158 WeakPolarHBondContact O-CG 3.44Å; E154-L158 PolarHBondContact O-N 3.09Å |
| 155 | V | 96.8 | Very high | 91.4 | Very high | 95 Ų | 95 | 96.9 Ų | 96.9 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | L151 Q152 L158 K159 | L151-V155 WeakPolarHBondContact O-CB 3.37Å; L151-V155 VanDerWaalsContact O-CG2 3.28Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.27Å; Q152-V155 PolarHBondContact O-N 3.35Å; V155-L158 PolarHBondContact O-N 3.45Å; V155-K159 VanDerWaalsContact O-CB 3.29Å; V155-K159 WeakPolarHBondContact O-CB 3.48Å; V155-K159 PolarHBondContact O-N 3.15Å |
| 156 | Q | 94.3 | Very high | 89.4 | Confident | 137 Ų | 137 | 98.8 Ų | 98.8 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -41.5 | 177.1 | -172.2 | 175.8 | 10.9 | 0 | 0 | 111.9 | Q152 A153 E154 K159 T160 | Q152-Q156 WeakPolarHBondContact O-CB 3.43Å; Q152-Q156 PolarHBondContact O-N 3.01Å; A153-Q156 PolarHBondContact O-N 3.46Å; E154-Q156 VanDerWaalsContact C-N 3.3Å; E154-Q156 PolarHBondContact O-N 2.81Å; Q156-K159 PolarHBondContact O-N 3.42Å; Q156-T160 PolarHBondContact O-N 2.86Å; Q156-T160 PolarHBondContact O-OG1 3.37Å |
| 157 | A | 94.9 | Very high | 86.8 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A153 E154 K159 T160 L161 | A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 2.86Å; E154-A157 PolarHBondContact O-N 2.74Å; A157-K159 PolarHBondContact O-N 2.65Å; A157-T160 WeakPolarHBondContact O-CB 3.47Å; A157-T160 PolarHBondContact O-N 3.47Å; A157-L161 PolarHBondContact O-N 2.94Å |
| 158 | L | 93.6 | Very high | 84.2 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.5 | -44.4 | 175.2 | -78.5 | 164.1 | 0 | 0 | 0 | 111.8 | E154 V155 T160 L161 V162 | E154-L158 WeakPolarHBondContact O-CB 3.4Å; E154-L158 WeakPolarHBondContact O-CG 3.44Å; E154-L158 PolarHBondContact O-N 3.09Å; V155-L158 PolarHBondContact O-N 3.45Å; L158-T160 VanDerWaalsContact C-N 3.3Å; L158-T160 PolarHBondContact O-N 3.47Å; L158-L161 PolarHBondContact O-N 3.32Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 3.02Å |
| 159 | K | 94.3 | Very high | 82.7 | Confident | 140 Ų | 140 | 104.1 Ų | 104.1 | 61% | 0.609 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.9 | -40.6 | 176.5 | -172.6 | 176.8 | -177.9 | 178.8 | 0 | 111.6 | V155 Q156 A157 V162 L163 | V155-K159 VanDerWaalsContact O-CB 3.29Å; V155-K159 WeakPolarHBondContact O-CB 3.48Å; V155-K159 PolarHBondContact O-N 3.15Å; Q156-K159 PolarHBondContact O-N 3.42Å; A157-K159 PolarHBondContact O-N 2.65Å; K159-V162 PolarHBondContact O-N 2.7Å; K159-L163 HydrophobicContact CG-CD1 3.94Å; K159-L163 WeakPolarHBondContact O-CB 3.16Å; K159-L163 WeakPolarHBondContact O-CD1 3.47Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.33Å; K159-L163 PolarHBondContact O-N 3.49Å |
| 160 | T | 91.2 | Very high | 79.9 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -44.3 | 176.6 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | Q156 A157 L158 V162 L163 S164 | Q156-T160 PolarHBondContact O-N 2.86Å; Q156-T160 PolarHBondContact O-OG1 3.37Å; A157-T160 WeakPolarHBondContact O-CB 3.47Å; A157-T160 PolarHBondContact O-N 3.47Å; L158-T160 VanDerWaalsContact C-N 3.3Å; L158-T160 PolarHBondContact O-N 3.47Å; T160-V162 PolarHBondContact O-N 3.2Å; T160-L163 PolarHBondContact O-N 3.2Å; T160-S164 VanDerWaalsContact O-CB 3.27Å; T160-S164 WeakPolarHBondContact O-CB 3.48Å; T160-S164 PolarHBondContact O-N 2.86Å; T160-S164 PolarHBondContact O-OG 3.15Å |
| 161 | L | 86.9 | Confident | 77 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.4 | -43.4 | 175.8 | -81.6 | 167.7 | 0 | 0 | 0 | 112.6 | A157 L158 S164 S165 | A157-L161 PolarHBondContact O-N 2.94Å; L158-L161 PolarHBondContact O-N 3.32Å; L161-S164 WeakPolarHBondContact CA-OG 3.33Å; L161-S164 PolarHBondContact O-N 2.92Å; L161-S164 PolarHBondContact O-OG 3.35Å; L161-S164 VanDerWaalsContact O-OG 3.09Å; L161-S165 PolarHBondContact O-N 3.01Å; L161-S165 PolarHBondContact O-OG 3.49Å |
| 162 | V | 89 | Confident | 74 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.7 | -44.2 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L158 K159 T160 S164 | L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 3.02Å; K159-V162 PolarHBondContact O-N 2.7Å; T160-V162 PolarHBondContact O-N 3.2Å; V162-S164 VanDerWaalsContact C-N 3.33Å; V162-S164 PolarHBondContact O-N 2.82Å |
| 163 | L | 79.2 | Confident | 71.2 | Confident | 136 Ų | 136 | 112 Ų | 112 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.9 | -26.1 | 179.1 | -72.5 | 164.3 | 0 | 0 | 0 | 113.5 | K159 T160 | K159-L163 HydrophobicContact CG-CD1 3.94Å; K159-L163 WeakPolarHBondContact O-CB 3.16Å; K159-L163 WeakPolarHBondContact O-CD1 3.47Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.33Å; K159-L163 PolarHBondContact O-N 3.49Å; T160-L163 PolarHBondContact O-N 3.2Å |
| 164 | S | 74.2 | Confident | 68.8 | Low | 79 Ų | 79 | 114.8 Ų | 114.8 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90 | -5.9 | -179.3 | 65.6 | 0 | 0 | 0 | 0 | 114.3 | T160 L161 V162 P166 | T160-S164 VanDerWaalsContact O-CB 3.27Å; T160-S164 WeakPolarHBondContact O-CB 3.48Å; T160-S164 PolarHBondContact O-N 2.86Å; T160-S164 PolarHBondContact O-OG 3.15Å; L161-S164 WeakPolarHBondContact CA-OG 3.33Å; L161-S164 PolarHBondContact O-N 2.92Å; L161-S164 PolarHBondContact O-OG 3.35Å; L161-S164 VanDerWaalsContact O-OG 3.09Å; V162-S164 VanDerWaalsContact C-N 3.33Å; V162-S164 PolarHBondContact O-N 2.82Å; S164-P166 WeakPolarHBondContact O-CD 3.36Å |
| 165 | S | 55.8 | Low | 66.9 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | trans | -79.6 | 117.7 | 176.4 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | L161 T167 | L161-S165 PolarHBondContact O-N 3.01Å; L161-S165 PolarHBondContact O-OG 3.49Å; S165-T167 PolarHBondContact O-N 3.38Å | ||
| 166 | P | 54.4 | Low | 64.1 | Low | 126 Ų | 126 | 116 Ų | 116 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -88.1 | 93 | -178.9 | 33.2 | -27.5 | 0 | 0 | 0 | 109.8 | S164 | S164-P166 WeakPolarHBondContact O-CD 3.36Š| ||
| 167 | T | 44.4 | Very low | 61.4 | Low | 137 Ų | 137 | 113.2 Ų | 113.2 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | trans | -143.1 | 128.8 | 160.1 | 12 | 0 | 0 | 0 | 0 | 111.5 | S165 | S165-T167 PolarHBondContact O-N 3.38Š| ||
| 168 | S | 43.8 | Very low | 58.7 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -64.7 | 167.4 | -167.8 | -131.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 169 | P | 64.6 | Low | 55.9 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -94.5 | 122.1 | -172.4 | 35.4 | -26.5 | 0 | 0 | 0 | 112.8 | ||||
| 170 | V | 38.6 | Very low | 53.7 | Low | 145 Ų | 145 | 118.2 Ų | 118.2 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | -163.7 | 136.7 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 171 | A | 37.6 | Very low | 51.2 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -165.9 | 170 | -0.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 172 | E | 33.8 | Very low | 49.1 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -53.6 | 138 | 169.5 | -64.5 | 169.1 | 124.7 | 0 | 0 | 114.7 | ||||
| 173 | L | 37.5 | Very low | 47.1 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 51.9 | 160.1 | 136.2 | -72.6 | 168.4 | 0 | 0 | 0 | 120.8 | ||||
| 174 | P | 44.3 | Very low | 45.1 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | cis | -138.3 | -138.6 | -8.9 | 42.3 | -17.9 | 0 | 0 | 0 | 113.1 | ||||
| 175 | P | 54.7 | Low | 43.7 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -119.8 | 176 | -133.7 | 29.2 | -2.4 | 0 | 0 | 0 | 116.8 | ||||
| 176 | A | 39.6 | Very low | 42.9 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 73.6 | 135.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 177 | G | 36 | Very low | 42.5 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 152.3 | 77.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 178 | K | 39.2 | Very low | 42.5 | Very low | 208 Ų | 208 | 139.8 Ų | 139.8 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | 6.5 | 125.4 | 149.6 | -60.2 | 176.5 | 179.4 | 176.9 | 0 | 122.1 | ||||
| 179 | A | 35.5 | Very low | 42.6 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | 75.4 | 168.3 | 127 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 180 | P | 48.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | cis | -140.5 | -179.9 | -31.7 | 29.9 | -7.2 | 0 | 0 | 0 | 115.9 | ||||
| 181 | F | 37.6 | Very low | 41.9 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | 74.6 | 142.5 | 156.6 | -85.5 | -73.4 | 0 | 0 | 0 | 117.8 | ||||
| 182 | R | 43.6 | Very low | 41.8 | Very low | 223 Ų | 223 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | cis | -147.7 | 159.3 | 23.3 | -69.8 | -162.3 | 178.6 | -89.4 | -3.2 | 114 | ||||
| 183 | K | 46.7 | Very low | 42.1 | Very low | 214 Ų | 214 | 141.1 Ų | 141.1 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -74.8 | 144.4 | 177.5 | -174.6 | 177.4 | -171.6 | 174.1 | 0 | 113.1 | ||||
| 184 | G | 36 | Very low | 42.2 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | -177.5 | 106.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 185 | H | 45.7 | Very low | 41.9 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | 56.3 | 109.7 | 156.2 | -61 | -62.7 | 0 | 0 | 0 | 119.9 | ||||
| 186 | S | 39.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | 80.6 | 123.9 | 52.4 | -166.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 187 | R | 46.2 | Very low | 41 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | 94.7 | 125.8 | 165.6 | -64.6 | -174.3 | 165.9 | 150.7 | -4 | 114.7 | ||||
| 188 | N | 44.4 | Very low | 41.3 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | cis | -160.6 | 145.8 | 1.2 | -14 | 31.2 | 0 | 0 | 0 | 111.5 | ||||
| 189 | K | 45.8 | Very low | 41.4 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 51.5 | 107.7 | 135.5 | -65.3 | 177.7 | 177.5 | -175.8 | 0 | 119.8 | ||||
| 190 | S | 45.7 | Very low | 41.8 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | -140 | 122.9 | 116.6 | -77.9 | 0 | 0 | 0 | 0 | 110 | S192 | S190-S192 PolarHBondContact O-N 3.35Š| |||
| 191 | T | 42.9 | Very low | 41.4 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | -53.2 | 105.7 | 171.1 | 11.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 192 | S | 36.2 | Very low | 41.8 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -111.2 | 103.4 | 147.8 | -85.2 | 0 | 0 | 0 | 0 | 106.3 | S190 A194 | S190-S192 PolarHBondContact O-N 3.35Å; S192-A194 PolarHBondContact O-N 2.88Å | ||
| 193 | S | 39.9 | Very low | 42.2 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -50.1 | 112.4 | 162.8 | 18.8 | 0 | 0 | 0 | 0 | 107.7 | M195 | S193-M195 PolarHBondContact O-N 3.45Š| ||
| 194 | A | 39.1 | Very low | 42.6 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -55 | 93.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S192 L196 | S192-A194 PolarHBondContact O-N 2.88Å; A194-L196 PolarHBondContact O-N 3.15Å | ||
| 195 | M | 37.8 | Very low | 43.6 | Very low | 158 Ų | 158 | 131 Ų | 131 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | -75 | 109.7 | 149.1 | -70 | -63.2 | 150.2 | 0 | 0 | 104.1 | S193 G197 | S193-M195 PolarHBondContact O-N 3.45Å; M195-G197 PolarHBondContact O-N 3.39Å | ||
| 196 | L | 41.4 | Very low | 44.4 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -4.6 | 116 | 157.4 | -67.8 | 156.2 | 0 | 0 | 0 | 110.6 | A194 S198 | A194-L196 PolarHBondContact O-N 3.15Å; L196-S198 VanDerWaalsContact C-N 3.25Å; L196-S198 PolarHBondContact O-N 3.27Å | ||
| 197 | G | 34.2 | Very low | 45.9 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -48.4 | 105.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | M195 Q199 | M195-G197 PolarHBondContact O-N 3.39Å; G197-Q199 PolarHBondContact O-N 2.57Å | ||
| 198 | S | 41.3 | Very low | 47.3 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -57.8 | 104.4 | 158.1 | 44.8 | 0 | 0 | 0 | 0 | 102.3 | L196 | L196-S198 VanDerWaalsContact C-N 3.25Å; L196-S198 PolarHBondContact O-N 3.27Å | ||
| 199 | Q | 42.2 | Very low | 49 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | trans | -26.9 | 127.5 | 145.2 | -78 | -74.1 | -44 | 0 | 0 | 106.7 | G197 D201 | G197-Q199 PolarHBondContact O-N 2.57Å; Q199-D201 VanDerWaalsContact C-N 3.26Å; Q199-D201 PolarHBondContact O-N 2.89Å | ||
| 200 | P | 43 | Very low | 50.9 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | trans | -52.9 | 110.5 | 165.8 | 23.2 | -28.5 | 0 | 0 | 0 | 104.3 | L202 | P200-L202 VanDerWaalsContact C-N 3.35Å; P200-L202 PolarHBondContact O-N 3.28Å | ||
| 201 | D | 41 | Very low | 52.8 | Low | 122 Ų | 122 | 130.6 Ų | 130.6 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | trans | -59.1 | 107.1 | -176.4 | -166.3 | 4 | 0 | 0 | 0 | 104.5 | Q199 A203 A204 | Q199-D201 VanDerWaalsContact C-N 3.26Å; Q199-D201 PolarHBondContact O-N 2.89Å; D201-A203 PolarHBondContact O-N 2.96Å; D201-A203 WeakPolarHBondContact OD1-CB 3.46Å; D201-A204 PolarHBondContact O-N 3.49Å | ||
| 202 | L | 45.9 | Very low | 55 | Low | 174 Ų | 174 | 128.5 Ų | 128.5 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 1.5 | 178.1 | -85.4 | 158.2 | 0 | 0 | 0 | 111.2 | P200 | P200-L202 VanDerWaalsContact C-N 3.35Å; P200-L202 PolarHBondContact O-N 3.28Å |
| 203 | A | 51.7 | Low | 57.6 | Low | 69 Ų | 69 | 129.3 Ų | 129.3 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -2.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D201 | D201-A203 PolarHBondContact O-N 2.96Å; D201-A203 WeakPolarHBondContact OD1-CB 3.46Å |
| 204 | A | 55.4 | Low | 60.2 | Low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -116.7 | 33.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116 | D201 | D201-A204 PolarHBondContact O-N 3.49Š| ||
| 205 | T | 56.6 | Low | 62.9 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 82% | 0.816 | 72% | 0.721 | S | S | * | * | trans | -124.9 | 67.9 | 157.7 | -34.9 | 0 | 0 | 0 | 0 | 108 | P207 | T205-P207 WeakPolarHBondContact O-CD 3.39Š| ||
| 206 | Q | 62.1 | Low | 65.7 | Low | 169 Ų | 169 | 126.8 Ų | 126.8 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -59.2 | 124.9 | 163.2 | -70.5 | -151.7 | 6.2 | 0 | 0 | 106.8 | I208 | Q206-I208 PolarHBondContact O-N 3.01Š| ||
| 207 | P | 70.3 | Confident | 68.3 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 69% | 0.688 | 70% | 0.697 | S | S | * | * | trans | -55.9 | 131.3 | 178.7 | 22.2 | -31.2 | 0 | 0 | 0 | 107.9 | T205 V209 | T205-P207 WeakPolarHBondContact O-CD 3.39Å; P207-V209 VanDerWaalsContact C-N 3.34Å; P207-V209 PolarHBondContact O-N 3.05Å | ||
| 208 | I | 76.4 | Confident | 71.3 | Confident | 167 Ų | 167 | 126.5 Ų | 126.5 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | trans | -62.4 | 101.7 | 174.2 | -61.8 | 172.8 | 0 | 0 | 0 | 106.3 | Q206 R210 | Q206-I208 PolarHBondContact O-N 3.01Å; I208-R210 PolarHBondContact O-N 3.31Å; I208-R210 VanDerWaalsContact O-N 3.12Å | ||
| 209 | V | 79.2 | Confident | 74 | Confident | 130 Ų | 130 | 123 Ų | 123 | 79% | 0.788 | 66% | 0.661 | S | S | * | * | trans | -73.7 | 104.9 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | P207 | P207-V209 VanDerWaalsContact C-N 3.34Å; P207-V209 PolarHBondContact O-N 3.05Å | ||
| 210 | R | 87.1 | Confident | 76.7 | Confident | 206 Ų | 206 | 117.1 Ų | 117.1 | 78% | 0.777 | 63% | 0.633 | S | S | * | * | trans | -88 | 123.4 | 173.1 | -169.6 | 178 | 179.3 | 174.5 | -0.2 | 108.6 | I208 C212 | I208-R210 PolarHBondContact O-N 3.31Å; I208-R210 VanDerWaalsContact O-N 3.12Å; R210-C212 PolarHBondContact O-N 3.35Å | ||
| 211 | E | 84.4 | Confident | 79.3 | Confident | 166 Ų | 166 | 114.6 Ų | 114.6 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | trans | -69.5 | 103.3 | 166.3 | -73 | -167.1 | 178 | 0 | 0 | 108.9 | ||||
| 212 | C | 89.1 | Confident | 82 | Confident | 98 Ų | 98 | 110 Ų | 110 | 66% | 0.662 | 60% | 0.597 | S | S | * | * | trans | -101.6 | 146.8 | 173 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | R210 | R210-C212 PolarHBondContact O-N 3.35Š| ||
| 213 | R | 91.1 | Very high | 84.5 | Confident | 137 Ų | 137 | 101.7 Ų | 101.7 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | trans | -131.6 | 135.8 | 172 | -60.3 | -172.9 | -171.6 | -177.9 | 7.4 | 108.4 | W365 | R213-W365 HydrophobicContact CB-CH2 3.57Å; R213-W365 HydrophobicContact CB-CZ2 4.09Å; R213-W365 HydrophobicContact CB-CZ3 3.98Å | ||
| 214 | E | 94.2 | Very high | 86.7 | Confident | 178 Ų | 178 | 102.9 Ų | 102.9 | 83% | 0.832 | 55% | 0.545 | S | S | * | . | trans | -131.9 | 140.7 | 179.2 | -174.4 | 173 | 178.4 | 0 | 0 | 108.8 | D216 W365 | E214-D216 PolarHBondContact O-N 3.25Å; E214-W365 WeakPolarHBondContact O-CH2 3.49Å | ||
| 215 | V | 95.7 | Very high | 88.7 | Confident | 40 Ų | 40 | 102.3 Ų | 102.3 | 24% | 0.242 | 54% | 0.541 | C | S | . | . | trans | -75.6 | 118.1 | -178.9 | 176 | 0 | 0 | 0 | 0 | 109 | S217 F220 E361 F364 W365 | V215-S217 PolarHBondContact O-N 2.96Å; V215-F220 HydrophobicContact CG1-CB 3.5Å; V215-F220 HydrophobicContact CG1-CD1 3.67Å; V215-F220 HydrophobicContact CG1-CD2 4.29Å; V215-F220 HydrophobicContact CG1-CE1 4.34Å; V215-F220 HydrophobicContact CG1-CG 3.6Å; V215-E361 HydrophobicContact CG2-CG 4.4Å; V215-F364 HydrophobicContact CB-CE1 4.47Å; V215-F364 HydrophobicContact CG1-CD1 4.31Å; V215-F364 HydrophobicContact CG1-CE1 3.81Å; V215-F364 HydrophobicContact CG1-CZ 4.37Å; V215-F364 HydrophobicContact CG2-CE1 4.44Å; V215-W365 HydrophobicContact CB-CZ2 4.45Å; V215-W365 HydrophobicContact CG2-CH2 4.48Å; V215-W365 HydrophobicContact CG2-CZ2 3.51Å | ||
| 216 | D | 97.4 | Very high | 90.7 | Very high | 77 Ų | 77 | 96.7 Ų | 96.7 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | trans | -67.7 | 116 | 167.2 | -177.7 | -73.9 | 0 | 0 | 0 | 109.6 | E214 Q218 L219 F220 | E214-D216 PolarHBondContact O-N 3.25Å; D216-Q218 VanDerWaalsContact C-N 3.28Å; D216-Q218 PolarHBondContact O-N 3.47Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.44Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.39Å; D216-Q218 PolarHBondContact OD1-N 2.88Å; D216-L219 HydrophobicContact CB-CB 4.16Å; D216-L219 HydrophobicContact CB-CD1 4.15Å; D216-L219 HydrophobicContact CB-CG 4.06Å; D216-L219 PolarHBondContact O-N 3.47Å; D216-L219 WeakPolarHBondContact OD1-CG 3.14Å; D216-L219 PolarHBondContact OD1-N 3.39Å; D216-F220 VanDerWaalsContact O-CB 3.22Å; D216-F220 WeakPolarHBondContact O-CB 3.36Å; D216-F220 PolarHBondContact O-N 2.91Å | ||
| 217 | S | 96.9 | Very high | 92.3 | Very high | 98 Ų | 98 | 91.3 Ų | 91.3 | 69% | 0.685 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.9 | -32.3 | -175.5 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | V215 A221 | V215-S217 PolarHBondContact O-N 2.96Å; S217-A221 VanDerWaalsContact O-CB 3.26Å; S217-A221 WeakPolarHBondContact O-CB 3.33Å; S217-A221 PolarHBondContact O-N 3.27Å |
| 218 | Q | 97.4 | Very high | 93.6 | Very high | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75.9 | -46.7 | -178.4 | -176.8 | 176.2 | 0.1 | 0 | 0 | 111 | D216 F220 E222 | D216-Q218 VanDerWaalsContact C-N 3.28Å; D216-Q218 PolarHBondContact O-N 3.47Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.44Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.39Å; D216-Q218 PolarHBondContact OD1-N 2.88Å; Q218-F220 VanDerWaalsContact C-N 3.3Å; Q218-F220 PolarHBondContact O-N 2.89Å; Q218-E222 WeakPolarHBondContact O-CB 3.32Å; Q218-E222 PolarHBondContact O-N 3.04Å; Q218-E222 VanDerWaalsContact O-N 3.12Å |
| 219 | L | 97.7 | Very high | 94.5 | Very high | 38 Ų | 38 | 89.2 Ų | 89.2 | 20% | 0.199 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.4 | -61.4 | -172.5 | 0 | 0 | 0 | 111 | D216 F223 F364 M368 | D216-L219 HydrophobicContact CB-CB 4.16Å; D216-L219 HydrophobicContact CB-CD1 4.15Å; D216-L219 HydrophobicContact CB-CG 4.06Å; D216-L219 PolarHBondContact O-N 3.47Å; D216-L219 WeakPolarHBondContact OD1-CG 3.14Å; D216-L219 PolarHBondContact OD1-N 3.39Å; L219-F223 WeakPolarHBondContact O-CB 3.26Å; L219-F223 PolarHBondContact O-N 2.95Å; L219-F364 HydrophobicContact CB-CE2 3.93Å; L219-F364 HydrophobicContact CB-CZ 4.04Å; L219-M368 HydrophobicContact CD1-CE 4.49Å; L219-M368 HydrophobicContact CD1-SD 4.01Å |
| 220 | F | 98.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 85 Ų | 85 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.2 | -41.2 | -179.4 | -172.8 | -137 | 0 | 0 | 0 | 112.5 | V215 D216 Q218 F223 K224 E361 F364 | V215-F220 HydrophobicContact CG1-CB 3.5Å; V215-F220 HydrophobicContact CG1-CD1 3.67Å; V215-F220 HydrophobicContact CG1-CD2 4.29Å; V215-F220 HydrophobicContact CG1-CE1 4.34Å; V215-F220 HydrophobicContact CG1-CG 3.6Å; D216-F220 VanDerWaalsContact O-CB 3.22Å; D216-F220 WeakPolarHBondContact O-CB 3.36Å; D216-F220 PolarHBondContact O-N 2.91Å; Q218-F220 VanDerWaalsContact C-N 3.3Å; Q218-F220 PolarHBondContact O-N 2.89Å; F220-F223 HydrophobicContact CD2-CD1 4.47Å; F220-F223 PolarHBondContact O-N 2.71Å; F220-K224 HydrophobicContact CD2-CG 4.42Å; F220-K224 HydrophobicContact CE1-CD 4.37Å; F220-K224 HydrophobicContact CE2-CG 4.27Å; F220-K224 HydrophobicContact CZ-CD 4.38Å; F220-K224 WeakPolarHBondContact O-CB 3.4Å; F220-K224 WeakPolarHBondContact O-CG 3.42Å; F220-K224 PolarHBondContact O-N 2.78Å; F220-E361 HydrophobicContact CE2-CB 4.39Å; F220-E361 HydrophobicContact CZ-CB 4.05Å; F220-E361 HydrophobicContact CZ-CG 4.28Å; F220-F364 HydrophobicContact CB-CD2 4.33Å; F220-F364 HydrophobicContact CB-CE1 4.37Å; F220-F364 HydrophobicContact CB-CE2 4Å; F220-F364 HydrophobicContact CB-CZ 4.02Å; F220-F364 HydrophobicContact CD2-CB 3.7Å; F220-F364 AromaticContact CD2-CD1 3.84Å; F220-F364 HydrophobicContact CD2-CD1 3.84Å; F220-F364 AromaticContact CD2-CD2 3.69Å; F220-F364 HydrophobicContact CD2-CD2 3.69Å; F220-F364 HydrophobicContact CD2-CE1 4.38Å; F220-F364 HydrophobicContact CD2-CE2 4.22Å; F220-F364 AromaticContact CD2-CG 3.45Å; F220-F364 HydrophobicContact CD2-CG 3.45Å; F220-F364 VanDerWaalsContact CD2-CG 3.45Å; F220-F364 HydrophobicContact CE2-CB 3.71Å; F220-F364 HydrophobicContact CE2-CD1 4.34Å; F220-F364 AromaticContact CE2-CG 3.97Å; F220-F364 HydrophobicContact CE2-CG 3.97Å; F220-F364 HydrophobicContact CG-CD2 4.49Å; F220-F364 HydrophobicContact CG-CG 4.43Å |
| 221 | A | 97.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 77.4 Ų | 77.4 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S217 K224 A225 | S217-A221 VanDerWaalsContact O-CB 3.26Å; S217-A221 WeakPolarHBondContact O-CB 3.33Å; S217-A221 PolarHBondContact O-N 3.27Å; A221-K224 PolarHBondContact O-N 2.7Å; A221-A225 WeakPolarHBondContact O-CB 3.22Å; A221-A225 PolarHBondContact O-N 3.12Å |
| 222 | E | 98.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 72.7 Ų | 72.7 | 12% | 0.117 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 175.4 | 179.1 | -178.3 | -101.4 | 0 | 0 | 112 | Q218 K224 A225 W226 F238 R241 | Q218-E222 WeakPolarHBondContact O-CB 3.32Å; Q218-E222 PolarHBondContact O-N 3.04Å; Q218-E222 VanDerWaalsContact O-N 3.12Å; E222-K224 PolarHBondContact O-N 3.18Å; E222-A225 PolarHBondContact O-N 3.41Å; E222-W226 PolarHBondContact O-N 3.19Å; E222-F238 HydrophobicContact CG-CB 4.03Å; E222-R241 IonicContact OE1-CZ 2.77Å; E222-R241 IonicContact OE1-NE 2.86Å; E222-R241 IonicContact OE1-NH1 3.07Å; E222-R241 PolarHBondContact OE1-NH1 3.09Å; E222-R241 VanDerWaalsContact OE1-NH1 3.1Å; E222-R241 IonicContact OE1-NH2 2.76Å; E222-R241 PolarHBondContact OE1-NH2 3.25Å; E222-R241 IonicContact OE2-CZ 3.93Å; E222-R241 VanDerWaalsContact OE2-CZ 3.22Å; E222-R241 IonicContact OE2-NE 2.66Å; E222-R241 IonicContact OE2-NH1 2.94Å; E222-R241 PolarHBondContact OE2-NH1 3.31Å; E222-R241 IonicContact OE2-NH2 2.71Å |
| 223 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 176.5 | 170.2 | -100.7 | 0 | 0 | 0 | 111.6 | L219 F220 A225 W226 K227 F238 I350 A360 M363 F364 V367 | L219-F223 WeakPolarHBondContact O-CB 3.26Å; L219-F223 PolarHBondContact O-N 2.95Å; F220-F223 HydrophobicContact CD2-CD1 4.47Å; F220-F223 PolarHBondContact O-N 2.71Å; F223-A225 PolarHBondContact O-N 3.01Å; F223-W226 AromaticContact CD2-CE3 3.97Å; F223-W226 HydrophobicContact CD2-CE3 3.97Å; F223-W226 HydrophobicContact CD2-CZ3 4.24Å; F223-W226 AromaticContact CE2-CE3 3.89Å; F223-W226 HydrophobicContact CE2-CE3 3.89Å; F223-W226 AromaticContact CE2-CZ3 3.72Å; F223-W226 HydrophobicContact CE2-CZ3 3.72Å; F223-W226 PolarHBondContact O-N 2.85Å; F223-K227 HydrophobicContact CE1-CB 4.39Å; F223-K227 HydrophobicContact CE1-CD 4.46Å; F223-K227 HydrophobicContact CE1-CG 4.43Å; F223-K227 HydrophobicContact CZ-CB 4.33Å; F223-K227 HydrophobicContact CZ-CG 4.2Å; F223-K227 VanDerWaalsContact O-CB 3.24Å; F223-K227 WeakPolarHBondContact O-CB 3.4Å; F223-K227 PolarHBondContact O-N 2.73Å; F223-F238 HydrophobicContact CB-CE2 4.38Å; F223-F238 AromaticContact CD2-CE2 3.98Å; F223-F238 HydrophobicContact CD2-CE2 3.98Å; F223-F238 HydrophobicContact CD2-CZ 4.06Å; F223-I350 HydrophobicContact CE2-CD1 4.3Å; F223-I350 HydrophobicContact CZ-CD1 4.37Å; F223-A360 WeakPolarHBondContact CE1-O 3.33Å; F223-M363 HydrophobicContact CE1-CB 4.12Å; F223-M363 HydrophobicContact CZ-CB 3.72Å; F223-F364 HydrophobicContact CB-CD2 3.83Å; F223-F364 HydrophobicContact CB-CE2 4.37Å; F223-F364 HydrophobicContact CD1-CB 3.74Å; F223-F364 AromaticContact CD1-CD2 3.98Å; F223-F364 HydrophobicContact CD1-CD2 3.98Å; F223-F364 HydrophobicContact CD1-CG 4.34Å; F223-F364 HydrophobicContact CE1-CB 3.89Å; F223-F364 HydrophobicContact CG-CB 4.42Å; F223-F364 AromaticContact CG-CD2 3.94Å; F223-F364 HydrophobicContact CG-CD2 3.94Å; F223-V367 HydrophobicContact CD2-CG2 4.22Å; F223-V367 HydrophobicContact CE2-CG2 3.76Å; F223-V367 HydrophobicContact CZ-CG2 4.49Å |
| 224 | K | 97.5 | Very high | 96.9 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 41% | 0.409 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 176.3 | -79.2 | -172.7 | -169.2 | 176.9 | 0 | 111.4 | F220 A221 E222 W226 K227 E228 | F220-K224 HydrophobicContact CD2-CG 4.42Å; F220-K224 HydrophobicContact CE1-CD 4.37Å; F220-K224 HydrophobicContact CE2-CG 4.27Å; F220-K224 HydrophobicContact CZ-CD 4.38Å; F220-K224 WeakPolarHBondContact O-CB 3.4Å; F220-K224 WeakPolarHBondContact O-CG 3.42Å; F220-K224 PolarHBondContact O-N 2.78Å; A221-K224 PolarHBondContact O-N 2.7Å; E222-K224 PolarHBondContact O-N 3.18Å; K224-W226 VanDerWaalsContact C-N 3.31Å; K224-W226 PolarHBondContact O-N 3.29Å; K224-K227 PolarHBondContact O-N 3.29Å; K224-K227 VanDerWaalsContact O-N 3.09Å; K224-E228 PolarHBondContact O-N 2.85Å; K224-E228 VanDerWaalsContact O-N 3.13Å |
| 225 | A | 97.4 | Very high | 97 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | A221 E222 F223 | A221-A225 WeakPolarHBondContact O-CB 3.22Å; A221-A225 PolarHBondContact O-N 3.12Å; E222-A225 PolarHBondContact O-N 3.41Å; F223-A225 PolarHBondContact O-N 3.01Å |
| 226 | W | 98.3 | Very high | 97.1 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 5% | 0.053 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 173.6 | 171.2 | 84.5 | 0 | 0 | 0 | 112.3 | E222 F223 K224 E228 A229 P230 T231 F238 I347 I350 | E222-W226 PolarHBondContact O-N 3.19Å; F223-W226 AromaticContact CD2-CE3 3.97Å; F223-W226 HydrophobicContact CD2-CE3 3.97Å; F223-W226 HydrophobicContact CD2-CZ3 4.24Å; F223-W226 AromaticContact CE2-CE3 3.89Å; F223-W226 HydrophobicContact CE2-CE3 3.89Å; F223-W226 AromaticContact CE2-CZ3 3.72Å; F223-W226 HydrophobicContact CE2-CZ3 3.72Å; F223-W226 PolarHBondContact O-N 2.85Å; K224-W226 VanDerWaalsContact C-N 3.31Å; K224-W226 PolarHBondContact O-N 3.29Å; W226-E228 VanDerWaalsContact C-N 3.29Å; W226-E228 PolarHBondContact O-N 3.48Å; W226-A229 CarbonylContact O-C 3.55Å; W226-A229 PolarHBondContact O-N 3.12Å; W226-A229 VanDerWaalsContact O-N 3.15Å; W226-P230 HydrophobicContact CH2-CB 4.29Å; W226-P230 HydrophobicContact CZ2-CB 4.01Å; W226-P230 WeakPolarHBondContact O-CA 3.4Å; W226-T231 PolarHBondContact NE1-O 2.75Å; W226-F238 HydrophobicContact CB-CB 3.82Å; W226-F238 HydrophobicContact CB-CD1 4.32Å; W226-F238 HydrophobicContact CB-CG 4.13Å; W226-F238 AromaticContact CD1-CD1 3.9Å; W226-F238 AromaticContact CD2-CD1 3.58Å; W226-F238 HydrophobicContact CD2-CD1 3.58Å; W226-F238 AromaticContact CD2-CE1 3.97Å; W226-F238 HydrophobicContact CD2-CE1 3.97Å; W226-F238 HydrophobicContact CD2-CG 4.25Å; W226-F238 AromaticContact CE2-CD1 3.83Å; W226-F238 HydrophobicContact CE3-CD1 4.05Å; W226-F238 HydrophobicContact CE3-CE1 4.02Å; W226-F238 HydrophobicContact CG-CB 3.91Å; W226-F238 AromaticContact CG-CD1 3.67Å; W226-F238 HydrophobicContact CG-CD1 3.67Å; W226-F238 AromaticContact CG-CG 3.97Å; W226-F238 HydrophobicContact CG-CG 3.97Å; W226-F238 HydrophobicContact CH2-CE1 4.45Å; W226-F238 HydrophobicContact CZ2-CE1 4.39Å; W226-F238 HydrophobicContact CZ3-CE1 4.26Å; W226-F238 AromaticContact NE1-CD1 3.95Å; W226-I347 HydrophobicContact CH2-CD1 3.98Å; W226-I347 HydrophobicContact CH2-CG2 3.87Å; W226-I347 HydrophobicContact CZ2-CG2 3.63Å; W226-I347 HydrophobicContact CZ3-CD1 4.4Å; W226-I350 HydrophobicContact CH2-CB 4.02Å; W226-I350 HydrophobicContact CH2-CD1 4.38Å; W226-I350 HydrophobicContact CH2-CG2 3.77Å; W226-I350 HydrophobicContact CZ3-CB 4.35Å; W226-I350 HydrophobicContact CZ3-CD1 4.17Å; W226-I350 HydrophobicContact CZ3-CG2 3.76Å |
| 227 | K | 96.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 63.4 Ų | 63.4 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.6 | -25 | -176.4 | -167.8 | -134.9 | 161.5 | -65.3 | 0 | 113.6 | F223 K224 A229 I350 A360 M363 | F223-K227 HydrophobicContact CE1-CB 4.39Å; F223-K227 HydrophobicContact CE1-CD 4.46Å; F223-K227 HydrophobicContact CE1-CG 4.43Å; F223-K227 HydrophobicContact CZ-CB 4.33Å; F223-K227 HydrophobicContact CZ-CG 4.2Å; F223-K227 VanDerWaalsContact O-CB 3.24Å; F223-K227 WeakPolarHBondContact O-CB 3.4Å; F223-K227 PolarHBondContact O-N 2.73Å; K224-K227 PolarHBondContact O-N 3.29Å; K224-K227 VanDerWaalsContact O-N 3.09Å; K227-A229 VanDerWaalsContact C-N 3.34Å; K227-I350 HydrophobicContact CG-CG2 4.35Å; K227-A360 HydrophobicContact CD-CB 4.39Å; K227-M363 HydrophobicContact CD-CE 4.11Å |
| 228 | E | 95.6 | Very high | 97.2 | Very high | 155 Ų | 155 | 59 Ų | 59 | 72% | 0.724 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.8 | -32.3 | 173.5 | -66.8 | -54.3 | 123.8 | 0 | 0 | 112.3 | K224 W226 | K224-E228 PolarHBondContact O-N 2.85Å; K224-E228 VanDerWaalsContact O-N 3.13Å; W226-E228 VanDerWaalsContact C-N 3.29Å; W226-E228 PolarHBondContact O-N 3.48Å |
| 229 | A | 95.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 52.7 Ų | 52.7 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -136.5 | 71.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | W226 K227 T231 | W226-A229 CarbonylContact O-C 3.55Å; W226-A229 PolarHBondContact O-N 3.12Å; W226-A229 VanDerWaalsContact O-N 3.15Å; K227-A229 VanDerWaalsContact C-N 3.34Å; A229-T231 PolarHBondContact O-N 3.15Å |
| 230 | P | 96.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 56 Ų | 56 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | trans | -66 | 136.4 | -170.7 | 27.4 | -33.9 | 0 | 0 | 0 | 110.2 | W226 H351 | W226-P230 HydrophobicContact CH2-CB 4.29Å; W226-P230 HydrophobicContact CZ2-CB 4.01Å; W226-P230 WeakPolarHBondContact O-CA 3.4Å; P230-H351 HydrophobicContact CB-CB 4.37Å; P230-H351 PolarHBondContact O-CD2 3.48Å | ||
| 231 | T | 97.3 | Very high | 97.2 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -138.8 | 151.8 | 178 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | W226 A229 D233 C236 | W226-T231 PolarHBondContact NE1-O 2.75Å; A229-T231 PolarHBondContact O-N 3.15Å; T231-D233 HydrophobicContact CG2-CB 4.4Å; T231-D233 WeakPolarHBondContact OG1-CB 3.5Å; T231-D233 PolarHBondContact OG1-N 2.96Å; T231-C236 HydrophobicContact CG2-CB 3.76Å | ||
| 232 | L | 97.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 54 Ų | 54 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | trans | -96.6 | 4.8 | 170.9 | -62.1 | 177.4 | 0 | 0 | 0 | 112.5 | R234 I347 R348 | L232-R234 PolarHBondContact O-N 3.48Å; L232-I347 HydrophobicContact CD2-CG2 3.64Å; L232-R348 HydrophobicContact CD1-CG 4.05Å; L232-R348 HydrophobicContact CD2-CG 4.21Å | ||
| 233 | D | 96.6 | Very high | 97.3 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | -63.2 | 124.6 | 176.2 | 177.7 | 19.9 | 0 | 0 | 0 | 111.1 | T231 S235 C236 | T231-D233 HydrophobicContact CG2-CB 4.4Å; T231-D233 WeakPolarHBondContact OG1-CB 3.5Å; T231-D233 PolarHBondContact OG1-N 2.96Å; D233-S235 PolarHBondContact O-N 3.47Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 2.97Å; D233-S235 PolarHBondContact OD2-OG 3.43Å; D233-C236 PolarHBondContact O-N 3.02Å; D233-C236 PolarHBondContact O-SG 3.33Å | ||
| 234 | R | 95.1 | Very high | 97.3 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.6 | 176.7 | -172.3 | -172.6 | -158.7 | 87.2 | 10.3 | 112.5 | L232 C236 E240 Y243 H248 E267 | L232-R234 PolarHBondContact O-N 3.48Å; R234-C236 VanDerWaalsContact C-N 3.29Å; R234-C236 PolarHBondContact O-N 3.27Å; R234-E240 PolarHBondContact O-N 2.95Å; R234-Y243 HydrophobicContact CB-CE2 4.08Å; R234-Y243 HydrophobicContact CG-CD2 3.72Å; R234-Y243 HydrophobicContact CG-CE2 3.66Å; R234-Y243 HydrophobicContact CG-CG 4.25Å; R234-H248 PolarHBondContact NH2-CE1 3.31Å; R234-H248 PolarHBondContact NH2-NE2 3.23Å; R234-E267 IonicContact CZ-OE1 2.79Å; R234-E267 IonicContact NH1-OE1 3.31Å; R234-E267 PolarHBondContact NH1-OE1 3.36Å |
| 235 | S | 96.5 | Very high | 97.3 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.9 | -174.7 | 87.9 | 0 | 0 | 0 | 0 | 114 | D233 | D233-S235 PolarHBondContact O-N 3.47Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 2.97Å; D233-S235 PolarHBondContact OD2-OG 3.43Å |
| 236 | C | 97.1 | Very high | 97.4 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -68.4 | 142.9 | 176.4 | 78.6 | 0 | 0 | 0 | 0 | 111.1 | T231 D233 R234 F238 L239 E240 | T231-C236 HydrophobicContact CG2-CB 3.76Å; D233-C236 PolarHBondContact O-N 3.02Å; D233-C236 PolarHBondContact O-SG 3.33Å; R234-C236 VanDerWaalsContact C-N 3.29Å; R234-C236 PolarHBondContact O-N 3.27Å; C236-F238 VanDerWaalsContact C-N 3.27Å; C236-F238 PolarHBondContact O-N 2.78Å; C236-F238 VanDerWaalsContact O-N 3.15Å; C236-L239 PolarHBondContact O-N 3.38Å; C236-L239 VanDerWaalsContact O-N 3.13Å; C236-E240 WeakPolarHBondContact O-CB 3.46Å; C236-E240 PolarHBondContact O-N 2.97Å |
| 237 | S | 97.1 | Very high | 97.4 | Very high | 72 Ų | 72 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.1 | -41 | -171.8 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | R241 | S237-R241 PolarHBondContact O-N 3.34Å |
| 238 | F | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -54.7 | 177.7 | 172 | -110.5 | 0 | 0 | 0 | 111.9 | E222 F223 W226 C236 V242 F343 I347 V367 | E222-F238 HydrophobicContact CG-CB 4.03Å; F223-F238 HydrophobicContact CB-CE2 4.38Å; F223-F238 AromaticContact CD2-CE2 3.98Å; F223-F238 HydrophobicContact CD2-CE2 3.98Å; F223-F238 HydrophobicContact CD2-CZ 4.06Å; W226-F238 HydrophobicContact CB-CB 3.82Å; W226-F238 HydrophobicContact CB-CD1 4.32Å; W226-F238 HydrophobicContact CB-CG 4.13Å; W226-F238 AromaticContact CD1-CD1 3.9Å; W226-F238 AromaticContact CD2-CD1 3.58Å; W226-F238 HydrophobicContact CD2-CD1 3.58Å; W226-F238 AromaticContact CD2-CE1 3.97Å; W226-F238 HydrophobicContact CD2-CE1 3.97Å; W226-F238 HydrophobicContact CD2-CG 4.25Å; W226-F238 AromaticContact CE2-CD1 3.83Å; W226-F238 HydrophobicContact CE3-CD1 4.05Å; W226-F238 HydrophobicContact CE3-CE1 4.02Å; W226-F238 HydrophobicContact CG-CB 3.91Å; W226-F238 AromaticContact CG-CD1 3.67Å; W226-F238 HydrophobicContact CG-CD1 3.67Å; W226-F238 AromaticContact CG-CG 3.97Å; W226-F238 HydrophobicContact CG-CG 3.97Å; W226-F238 HydrophobicContact CH2-CE1 4.45Å; W226-F238 HydrophobicContact CZ2-CE1 4.39Å; W226-F238 HydrophobicContact CZ3-CE1 4.26Å; W226-F238 AromaticContact NE1-CD1 3.95Å; C236-F238 VanDerWaalsContact C-N 3.27Å; C236-F238 PolarHBondContact O-N 2.78Å; C236-F238 VanDerWaalsContact O-N 3.15Å; F238-V242 HydrophobicContact CE2-CG2 4.47Å; F238-V242 WeakPolarHBondContact O-CG2 3.04Å; F238-V242 PolarHBondContact O-N 3.2Å; F238-F343 HydrophobicContact CE1-CZ 4.47Å; F238-F343 HydrophobicContact CZ-CZ 4.5Å; F238-I347 HydrophobicContact CE1-CD1 3.83Å; F238-I347 HydrophobicContact CZ-CD1 4.07Å; F238-V367 HydrophobicContact CE2-CG1 4.02Å; F238-V367 HydrophobicContact CZ-CG1 3.73Å |
| 239 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.2 | -40.4 | -177.8 | -70.3 | 179.8 | 0 | 0 | 0 | 111.5 | C236 R241 V242 Y243 F343 I347 | C236-L239 PolarHBondContact O-N 3.38Å; C236-L239 VanDerWaalsContact O-N 3.13Å; L239-R241 PolarHBondContact O-N 3.43Å; L239-V242 CarbonylContact O-C 2.98Å; L239-V242 PolarHBondContact O-N 2.84Å; L239-Y243 HydrophobicContact CB-CD2 3.99Å; L239-Y243 HydrophobicContact CB-CE2 3.96Å; L239-Y243 WeakPolarHBondContact O-CB 3.33Å; L239-Y243 WeakPolarHBondContact O-CD2 3.48Å; L239-Y243 PolarHBondContact O-N 2.9Å; L239-F343 HydrophobicContact CD2-CE1 3.94Å; L239-F343 HydrophobicContact CD2-CZ 3.86Å; L239-I347 HydrophobicContact CD2-CG2 4.41Å |
| 240 | E | 98.3 | Very high | 97.7 | Very high | 108 Ų | 108 | 48.4 Ų | 48.4 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -51.5 | -44 | 178.1 | -174.2 | -173.3 | -147.4 | 0 | 0 | 111.4 | R234 C236 Y243 R244 | R234-E240 PolarHBondContact O-N 2.95Å; C236-E240 WeakPolarHBondContact O-CB 3.46Å; C236-E240 PolarHBondContact O-N 2.97Å; E240-Y243 PolarHBondContact O-N 3.04Å; E240-R244 WeakPolarHBondContact O-CB 3.32Å; E240-R244 PolarHBondContact O-N 3.39Å |
| 241 | R | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 174.6 | -176 | 173.9 | -63.4 | 145.8 | 10.4 | 112 | E222 S237 L239 Y243 R244 E245 | E222-R241 IonicContact OE1-CZ 2.77Å; E222-R241 IonicContact OE1-NE 2.86Å; E222-R241 IonicContact OE1-NH1 3.07Å; E222-R241 PolarHBondContact OE1-NH1 3.09Å; E222-R241 VanDerWaalsContact OE1-NH1 3.1Å; E222-R241 IonicContact OE1-NH2 2.76Å; E222-R241 PolarHBondContact OE1-NH2 3.25Å; E222-R241 IonicContact OE2-CZ 3.93Å; E222-R241 VanDerWaalsContact OE2-CZ 3.22Å; E222-R241 IonicContact OE2-NE 2.66Å; E222-R241 IonicContact OE2-NH1 2.94Å; E222-R241 PolarHBondContact OE2-NH1 3.31Å; E222-R241 IonicContact OE2-NH2 2.71Å; S237-R241 PolarHBondContact O-N 3.34Å; L239-R241 PolarHBondContact O-N 3.43Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; R241-Y243 PolarHBondContact O-N 2.91Å; R241-R244 PolarHBondContact O-N 3.39Å; R241-E245 VanDerWaalsContact CG-CD 3.47Å; R241-E245 HydrophobicContact CG-CG 4.49Å; R241-E245 VanDerWaalsContact CG-OE1 3.28Å; R241-E245 WeakPolarHBondContact CG-OE1 3.49Å; R241-E245 WeakPolarHBondContact CG-OE2 3.05Å; R241-E245 WeakPolarHBondContact O-CB 3.44Å; R241-E245 PolarHBondContact O-N 2.75Å |
| 242 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | -179 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | F238 L239 D246 I247 F343 R371 M374 | F238-V242 HydrophobicContact CE2-CG2 4.47Å; F238-V242 WeakPolarHBondContact O-CG2 3.04Å; F238-V242 PolarHBondContact O-N 3.2Å; L239-V242 CarbonylContact O-C 2.98Å; L239-V242 PolarHBondContact O-N 2.84Å; V242-D246 HydrophobicContact CG1-CB 4.22Å; V242-D246 WeakPolarHBondContact O-CA 3.48Å; V242-D246 WeakPolarHBondContact O-CB 3.42Å; V242-D246 PolarHBondContact O-N 3.29Å; V242-I247 HydrophobicContact CG1-CD1 3.99Å; V242-I247 HydrophobicContact CG1-CG1 4.13Å; V242-I247 PolarHBondContact O-N 3.35Å; V242-F343 HydrophobicContact CB-CZ 4.08Å; V242-F343 HydrophobicContact CG1-CD1 4.42Å; V242-F343 HydrophobicContact CG1-CD2 4.5Å; V242-F343 HydrophobicContact CG1-CE1 3.85Å; V242-F343 HydrophobicContact CG1-CE2 3.92Å; V242-F343 HydrophobicContact CG1-CZ 3.57Å; V242-F343 HydrophobicContact CG2-CE2 4.41Å; V242-F343 HydrophobicContact CG2-CZ 4.07Å; V242-R371 HydrophobicContact CG1-CG 4.35Å; V242-R371 HydrophobicContact CG2-CG 4.48Å; V242-M374 HydrophobicContact CG1-CE 3.81Å |
| 243 | Y | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -60.7 | -51.8 | 174.7 | -86.7 | -71.3 | 0 | 0 | 0 | 112 | R234 L239 E240 R241 I247 H248 L263 E267 F344 | R234-Y243 HydrophobicContact CB-CE2 4.08Å; R234-Y243 HydrophobicContact CG-CD2 3.72Å; R234-Y243 HydrophobicContact CG-CE2 3.66Å; R234-Y243 HydrophobicContact CG-CG 4.25Å; L239-Y243 HydrophobicContact CB-CD2 3.99Å; L239-Y243 HydrophobicContact CB-CE2 3.96Å; L239-Y243 WeakPolarHBondContact O-CB 3.33Å; L239-Y243 WeakPolarHBondContact O-CD2 3.48Å; L239-Y243 PolarHBondContact O-N 2.9Å; E240-Y243 PolarHBondContact O-N 3.04Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; R241-Y243 PolarHBondContact O-N 2.91Å; Y243-I247 HydrophobicContact CD1-CB 3.91Å; Y243-I247 HydrophobicContact CD1-CD1 3.61Å; Y243-I247 HydrophobicContact CD1-CG1 4.36Å; Y243-I247 HydrophobicContact CD1-CG2 3.92Å; Y243-I247 HydrophobicContact CD2-CD1 4.33Å; Y243-I247 HydrophobicContact CE1-CB 4.5Å; Y243-I247 HydrophobicContact CE1-CD1 3.79Å; Y243-I247 HydrophobicContact CE1-CG2 4.12Å; Y243-I247 HydrophobicContact CE2-CD1 4.42Å; Y243-I247 HydrophobicContact CG-CD1 3.94Å; Y243-H248 VanDerWaalsContact O-CB 3.3Å; Y243-H248 WeakPolarHBondContact O-CB 3.36Å; Y243-H248 PolarHBondContact O-CD2 3.33Å; Y243-H248 PolarHBondContact O-N 2.83Å; Y243-L263 HydrophobicContact CE1-CD1 4.08Å; Y243-E267 WeakPolarHBondContact CE1-OE1 3.49Å; Y243-E267 VanDerWaalsContact CZ-OE1 3.23Å; Y243-E267 VanDerWaalsContact OH-CD 3.24Å; Y243-E267 PolarHBondContact OH-OE1 2.98Å; Y243-F344 AromaticContact CE1-CZ 3.83Å; Y243-F344 HydrophobicContact CE1-CZ 3.83Å; Y243-F344 HydrophobicContact CE2-CZ 4.42Å; Y243-F344 AromaticContact CZ-CZ 3.57Å; Y243-F344 WeakPolarHBondContact OH-CE1 3.3Å; Y243-F344 VanDerWaalsContact OH-CZ 3.23Å; Y243-F344 WeakPolarHBondContact OH-CZ 3.49Å |
| 244 | R | 98.4 | Very high | 97.6 | Very high | 148 Ų | 148 | 48.2 Ų | 48.2 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -65.3 | -45.1 | -178.1 | -175.5 | -177.4 | 66.1 | -154.9 | -0.7 | 112.3 | E240 R241 P249 | E240-R244 WeakPolarHBondContact O-CB 3.32Å; E240-R244 PolarHBondContact O-N 3.39Å; R241-R244 PolarHBondContact O-N 3.39Å; R244-P249 WeakPolarHBondContact O-CD 3.49Å |
| 245 | E | 98.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -86.7 | -32 | -170.5 | -70.8 | 167.4 | -160.8 | 0 | 0 | 113.1 | R241 R371 K378 | R241-E245 VanDerWaalsContact CG-CD 3.47Å; R241-E245 HydrophobicContact CG-CG 4.49Å; R241-E245 VanDerWaalsContact CG-OE1 3.28Å; R241-E245 WeakPolarHBondContact CG-OE1 3.49Å; R241-E245 WeakPolarHBondContact CG-OE2 3.05Å; R241-E245 WeakPolarHBondContact O-CB 3.44Å; R241-E245 PolarHBondContact O-N 2.75Å; E245-R371 IonicContact OE2-CZ 3.62Å; E245-R371 IonicContact OE2-NH2 2.81Å; E245-R371 PolarHBondContact OE2-NH2 3.15Å; E245-K378 PolarHBondContact O-NZ 3.42Å |
| 246 | D | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -123.7 | -59.1 | -168.9 | -58.9 | -53.9 | 0 | 0 | 0 | 113 | V242 P249 C250 R371 M374 S375 K378 | V242-D246 HydrophobicContact CG1-CB 4.22Å; V242-D246 WeakPolarHBondContact O-CA 3.48Å; V242-D246 WeakPolarHBondContact O-CB 3.42Å; V242-D246 PolarHBondContact O-N 3.29Å; D246-P249 WeakPolarHBondContact O-CD 3.29Å; D246-C250 WeakPolarHBondContact O-CB 3.46Å; D246-C250 PolarHBondContact O-N 3.09Å; D246-R371 IonicContact OD2-CZ 3.93Å; D246-R371 VanDerWaalsContact OD2-CZ 3.28Å; D246-R371 IonicContact OD2-NE 2.8Å; D246-R371 PolarHBondContact OD2-NE 2.87Å; D246-R371 IonicContact OD2-NH2 3.09Å; D246-R371 PolarHBondContact OD2-NH2 3Å; D246-M374 HydrophobicContact CB-CB 4.01Å; D246-M374 HydrophobicContact CB-CE 3.87Å; D246-M374 HydrophobicContact CB-SD 4.24Å; D246-S375 PolarHBondContact OD1-OG 3.24Å; D246-K378 IonicContact OD1-NZ 2.77Å; D246-K378 PolarHBondContact OD1-NZ 3.45Å |
| 247 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -66.4 | -49.6 | -169.9 | -60.7 | 163.6 | 0 | 0 | 0 | 111.5 | V242 Y243 C250 L251 L263 V340 F343 F344 M374 | V242-I247 HydrophobicContact CG1-CD1 3.99Å; V242-I247 HydrophobicContact CG1-CG1 4.13Å; V242-I247 PolarHBondContact O-N 3.35Å; Y243-I247 HydrophobicContact CD1-CB 3.91Å; Y243-I247 HydrophobicContact CD1-CD1 3.61Å; Y243-I247 HydrophobicContact CD1-CG1 4.36Å; Y243-I247 HydrophobicContact CD1-CG2 3.92Å; Y243-I247 HydrophobicContact CD2-CD1 4.33Å; Y243-I247 HydrophobicContact CE1-CB 4.5Å; Y243-I247 HydrophobicContact CE1-CD1 3.79Å; Y243-I247 HydrophobicContact CE1-CG2 4.12Å; Y243-I247 HydrophobicContact CE2-CD1 4.42Å; Y243-I247 HydrophobicContact CG-CD1 3.94Å; I247-C250 CarbonylContact O-C 3.58Å; I247-C250 PolarHBondContact O-N 3.38Å; I247-C250 VanDerWaalsContact O-N 3.16Å; I247-L251 HydrophobicContact CG2-CD1 4.19Å; I247-L251 PolarHBondContact O-N 3.39Å; I247-L263 HydrophobicContact CG2-CD1 3.71Å; I247-V340 HydrophobicContact CG1-CG1 4.31Å; I247-V340 HydrophobicContact CG2-CG1 3.84Å; I247-F343 HydrophobicContact CD1-CD1 4.12Å; I247-F343 HydrophobicContact CD1-CE1 3.99Å; I247-F344 HydrophobicContact CD1-CE2 3.74Å; I247-F344 HydrophobicContact CD1-CZ 3.82Å; I247-F344 HydrophobicContact CG1-CE2 4.43Å; I247-F344 HydrophobicContact CG2-CE2 4.42Å; I247-M374 HydrophobicContact CG1-CE 4.46Å; I247-M374 HydrophobicContact CG1-SD 3.96Å |
| 248 | H | 98.3 | Very high | 97 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | -179.6 | -78.3 | -60.1 | 0 | 0 | 0 | 112.3 | R234 Y243 C250 L251 A252 | R234-H248 PolarHBondContact NH2-CE1 3.31Å; R234-H248 PolarHBondContact NH2-NE2 3.23Å; Y243-H248 VanDerWaalsContact O-CB 3.3Å; Y243-H248 WeakPolarHBondContact O-CB 3.36Å; Y243-H248 PolarHBondContact O-CD2 3.33Å; Y243-H248 PolarHBondContact O-N 2.83Å; H248-C250 PolarHBondContact O-N 3.12Å; H248-L251 PolarHBondContact O-N 3.47Å; H248-A252 PolarHBondContact O-N 3.22Å |
| 249 | P | 98.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -35 | 172.7 | -26.5 | 36.3 | 0 | 0 | 0 | 113.1 | R244 D246 R336 K378 | R244-P249 WeakPolarHBondContact O-CD 3.49Å; D246-P249 WeakPolarHBondContact O-CD 3.29Å; P249-R336 PolarHBondContact O-NH2 3.31Å; P249-K378 HydrophobicContact CB-CB 3.94Å; P249-K378 HydrophobicContact CB-CD 3.9Å; P249-K378 HydrophobicContact CB-CG 4.41Å |
| 250 | C | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.1 | -23.5 | -179.4 | -162 | 0 | 0 | 0 | 0 | 113.3 | D246 I247 H248 R336 V340 K378 | D246-C250 WeakPolarHBondContact O-CB 3.46Å; D246-C250 PolarHBondContact O-N 3.09Å; I247-C250 CarbonylContact O-C 3.58Å; I247-C250 PolarHBondContact O-N 3.38Å; I247-C250 VanDerWaalsContact O-N 3.16Å; H248-C250 PolarHBondContact O-N 3.12Å; C250-R336 PolarHBondContact O-NE 3.48Å; C250-R336 PolarHBondContact O-NH2 3.47Å; C250-R336 PolarHBondContact SG-O 3.23Å; C250-R336 VanDerWaalsContact SG-O 3.35Å; C250-V340 HydrophobicContact CB-CG2 3.91Å; C250-K378 HydrophobicContact CB-CB 4.4Å |
| 251 | L | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -106.5 | 7.2 | 175.5 | -60.7 | -178 | 0 | 0 | 0 | 114.2 | I247 H248 F253 I262 L263 I337 V340 | I247-L251 HydrophobicContact CG2-CD1 4.19Å; I247-L251 PolarHBondContact O-N 3.39Å; H248-L251 PolarHBondContact O-N 3.47Å; L251-F253 HydrophobicContact CB-CE2 4.29Å; L251-F253 HydrophobicContact CD2-CE2 3.99Å; L251-F253 HydrophobicContact CD2-CZ 4.29Å; L251-F253 WeakPolarHBondContact O-CD2 3.42Å; L251-F253 WeakPolarHBondContact O-CE2 3.25Å; L251-F253 PolarHBondContact O-N 2.95Å; L251-F253 VanDerWaalsContact O-N 3.09Å; L251-I262 HydrophobicContact CD1-CG2 4.18Å; L251-I262 HydrophobicContact CD2-CG2 4.01Å; L251-L263 HydrophobicContact CD1-CB 3.85Å; L251-L263 HydrophobicContact CD1-CD1 3.88Å; L251-L263 HydrophobicContact CD1-CG 4.44Å; L251-I337 HydrophobicContact CD2-CG1 4.34Å; L251-V340 HydrophobicContact CD1-CG1 4.16Å; L251-V340 HydrophobicContact CD1-CG2 4.5Å; L251-V340 HydrophobicContact CD2-CB 4.48Å; L251-V340 HydrophobicContact CD2-CG2 4.06Å; L251-V340 HydrophobicContact CG-CG2 4.07Å |
| 252 | A | 96.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | trans | -70.4 | 101.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H248 R336 | H248-A252 PolarHBondContact O-N 3.22Å; A252-R336 PolarHBondContact O-NH1 3.02Å; A252-R336 PolarHBondContact O-NH2 2.97Å | ||
| 253 | F | 96.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | trans | -113.6 | 161.9 | 176.8 | -59.4 | -70.5 | 0 | 0 | 0 | 111.4 | L251 K255 I262 L307 C333 R336 I337 | L251-F253 HydrophobicContact CB-CE2 4.29Å; L251-F253 HydrophobicContact CD2-CE2 3.99Å; L251-F253 HydrophobicContact CD2-CZ 4.29Å; L251-F253 WeakPolarHBondContact O-CD2 3.42Å; L251-F253 WeakPolarHBondContact O-CE2 3.25Å; L251-F253 PolarHBondContact O-N 2.95Å; L251-F253 VanDerWaalsContact O-N 3.09Å; F253-K255 PolarHBondContact O-N 3.12Å; F253-I262 HydrophobicContact CE2-CD1 4.18Å; F253-L307 HydrophobicContact CB-CB 4.22Å; F253-L307 HydrophobicContact CB-CD2 4.31Å; F253-L307 HydrophobicContact CD1-CB 3.93Å; F253-L307 HydrophobicContact CD2-CB 4.47Å; F253-L307 HydrophobicContact CD2-CD1 4.42Å; F253-L307 HydrophobicContact CD2-CD2 3.71Å; F253-L307 HydrophobicContact CD2-CG 4.43Å; F253-L307 HydrophobicContact CE1-CB 4.43Å; F253-L307 HydrophobicContact CE1-CD1 4.29Å; F253-L307 HydrophobicContact CE2-CD1 4.16Å; F253-L307 HydrophobicContact CE2-CD2 4.16Å; F253-L307 HydrophobicContact CG-CB 3.96Å; F253-L307 HydrophobicContact CG-CD2 3.98Å; F253-L307 HydrophobicContact CG-CG 4.41Å; F253-L307 HydrophobicContact CZ-CD1 4.1Å; F253-C333 HydrophobicContact CE1-CB 4.19Å; F253-R336 HydrophobicContact CE1-CB 4.47Å; F253-R336 HydrophobicContact CZ-CB 4.26Å; F253-I337 HydrophobicContact CZ-CG1 4.15Å | ||
| 254 | N | 94.4 | Very high | 96.6 | Very high | 137 Ų | 137 | 56 Ų | 56 | 73% | 0.733 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -56.8 | -36 | 177.3 | -64.7 | 37.4 | 0 | 0 | 0 | 112.2 | ||
| 255 | K | 91.6 | Very high | 96.5 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 46% | 0.457 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -93.5 | 89.7 | 168.7 | -60.6 | -165.4 | -164.3 | 160 | 0 | 109.8 | F253 E257 L258 G259 A306 L307 | F253-K255 PolarHBondContact O-N 3.12Å; K255-E257 VanDerWaalsContact C-N 3.34Å; K255-E257 PolarHBondContact O-N 3.26Å; K255-L258 HydrophobicContact CB-CB 4.24Å; K255-L258 PolarHBondContact O-N 3.29Å; K255-G259 PolarHBondContact O-N 2.84Å; K255-G259 VanDerWaalsContact O-N 3.12Å; K255-A306 WeakPolarHBondContact CD-O 3.33Å; K255-A306 WeakPolarHBondContact CE-O 3.43Å; K255-A306 PolarHBondContact NZ-O 2.87Å; K255-L307 PolarHBondContact N-O 3.46Å |
| 256 | S | 94.5 | Very high | 96.4 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 57% | 0.573 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.9 | -37.1 | -175.7 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | L258 G259 S260 | S256-L258 VanDerWaalsContact C-N 3.35Å; S256-L258 PolarHBondContact O-N 3.37Å; S256-G259 PolarHBondContact O-N 3.05Å; S256-S260 PolarHBondContact O-N 3.41Å; S256-S260 PolarHBondContact O-OG 3.32Å |
| 257 | E | 94.9 | Very high | 96.3 | Very high | 170 Ų | 170 | 49 Ų | 49 | 79% | 0.794 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59 | -45.9 | 176.4 | -64.7 | 175.4 | -177.1 | 0 | 0 | 111.5 | K255 G259 S260 A261 | K255-E257 VanDerWaalsContact C-N 3.34Å; K255-E257 PolarHBondContact O-N 3.26Å; E257-G259 VanDerWaalsContact C-N 3.34Å; E257-S260 PolarHBondContact O-N 3.23Å; E257-A261 PolarHBondContact O-N 3.06Å |
| 258 | L | 93.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.8 | -34.1 | 178.5 | -167.2 | 63.1 | 0 | 0 | 0 | 111.5 | K255 S256 I262 A306 L307 F320 Y327 | K255-L258 HydrophobicContact CB-CB 4.24Å; K255-L258 PolarHBondContact O-N 3.29Å; S256-L258 VanDerWaalsContact C-N 3.35Å; S256-L258 PolarHBondContact O-N 3.37Å; L258-I262 VanDerWaalsContact O-CG1 3.23Å; L258-I262 WeakPolarHBondContact O-CG1 3.23Å; L258-I262 PolarHBondContact O-N 3.22Å; L258-A306 HydrophobicContact CD2-CB 4.08Å; L258-L307 HydrophobicContact CB-CD2 4Å; L258-L307 HydrophobicContact CD2-CD2 3.49Å; L258-L307 VanDerWaalsContact CD2-CD2 3.49Å; L258-L307 HydrophobicContact CD2-CG 4.03Å; L258-L307 HydrophobicContact CG-CD2 3.61Å; L258-F320 HydrophobicContact CD1-CE2 3.63Å; L258-F320 HydrophobicContact CD1-CZ 3.6Å; L258-F320 HydrophobicContact CG-CZ 4.48Å; L258-Y327 HydrophobicContact CD1-CD1 4.31Å; L258-Y327 HydrophobicContact CD1-CE1 4.23Å; L258-Y327 HydrophobicContact CD1-CG 4.5Å; L258-Y327 HydrophobicContact CD2-CD1 4.15Å; L258-Y327 HydrophobicContact CD2-CG 4.5Å |
| 259 | G | 96.1 | Very high | 96 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K255 S256 E257 I262 L263 | K255-G259 PolarHBondContact O-N 2.84Å; K255-G259 VanDerWaalsContact O-N 3.12Å; S256-G259 PolarHBondContact O-N 3.05Å; E257-G259 VanDerWaalsContact C-N 3.34Å; G259-I262 PolarHBondContact O-N 2.93Å; G259-L263 PolarHBondContact O-N 3.41Å |
| 260 | S | 96.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 47% | 0.469 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 176.5 | -52.5 | 0 | 0 | 0 | 0 | 111 | S256 E257 I262 L263 D264 | S256-S260 PolarHBondContact O-N 3.41Å; S256-S260 PolarHBondContact O-OG 3.32Å; E257-S260 PolarHBondContact O-N 3.23Å; S260-I262 VanDerWaalsContact C-N 3.27Å; S260-I262 PolarHBondContact O-N 3.39Å; S260-L263 WeakPolarHBondContact O-CA 3.26Å; S260-L263 WeakPolarHBondContact O-CB 3.5Å; S260-L263 PolarHBondContact O-N 3.47Å; S260-D264 PolarHBondContact O-N 3.44Å |
| 261 | A | 96.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E257 A265 F320 | E257-A261 PolarHBondContact O-N 3.06Å; A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.48Å; A261-A265 PolarHBondContact O-N 3.11Å; A261-F320 HydrophobicContact CB-CE1 4.33Å; A261-F320 HydrophobicContact CB-CZ 4.3Å |
| 262 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 170.7 | -72.5 | 165.9 | 0 | 0 | 0 | 110.8 | L251 F253 L258 G259 S260 D264 A265 V266 L271 L307 I318 F320 I337 | L251-I262 HydrophobicContact CD1-CG2 4.18Å; L251-I262 HydrophobicContact CD2-CG2 4.01Å; F253-I262 HydrophobicContact CE2-CD1 4.18Å; L258-I262 VanDerWaalsContact O-CG1 3.23Å; L258-I262 WeakPolarHBondContact O-CG1 3.23Å; L258-I262 PolarHBondContact O-N 3.22Å; G259-I262 PolarHBondContact O-N 2.93Å; S260-I262 VanDerWaalsContact C-N 3.27Å; S260-I262 PolarHBondContact O-N 3.39Å; I262-D264 PolarHBondContact O-N 3.35Å; I262-A265 PolarHBondContact O-N 3.19Å; I262-V266 HydrophobicContact CG2-CG2 4.12Å; I262-V266 WeakPolarHBondContact O-CB 3.48Å; I262-V266 WeakPolarHBondContact O-CG2 3.44Å; I262-V266 PolarHBondContact O-N 3.28Å; I262-L271 HydrophobicContact CG2-CD2 4.17Å; I262-L307 HydrophobicContact CD1-CD1 3.78Å; I262-L307 HydrophobicContact CD1-CD2 3.45Å; I262-L307 VanDerWaalsContact CD1-CD2 3.45Å; I262-L307 HydrophobicContact CD1-CG 4.22Å; I262-I318 HydrophobicContact CD1-CD1 3.7Å; I262-I318 HydrophobicContact CG1-CD1 3.97Å; I262-F320 HydrophobicContact CB-CE1 4.36Å; I262-F320 HydrophobicContact CG1-CE1 3.64Å; I262-F320 HydrophobicContact CG1-CZ 3.77Å; I262-I337 HydrophobicContact CD1-CD1 3.89Å; I262-I337 HydrophobicContact CD1-CG1 4.33Å; I262-I337 HydrophobicContact CG2-CG1 4.25Å; I262-I337 HydrophobicContact CG2-CG2 4.41Å |
| 263 | L | 97.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 179.8 | 177.8 | 57.4 | 0 | 0 | 0 | 111.3 | Y243 I247 L251 G259 S260 A265 V266 E267 | Y243-L263 HydrophobicContact CE1-CD1 4.08Å; I247-L263 HydrophobicContact CG2-CD1 3.71Å; L251-L263 HydrophobicContact CD1-CB 3.85Å; L251-L263 HydrophobicContact CD1-CD1 3.88Å; L251-L263 HydrophobicContact CD1-CG 4.44Å; G259-L263 PolarHBondContact O-N 3.41Å; S260-L263 WeakPolarHBondContact O-CA 3.26Å; S260-L263 WeakPolarHBondContact O-CB 3.5Å; S260-L263 PolarHBondContact O-N 3.47Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 3Å; L263-V266 PolarHBondContact O-N 2.9Å; L263-V266 VanDerWaalsContact O-N 3.15Å; L263-E267 HydrophobicContact CD1-CG 4.2Å; L263-E267 WeakPolarHBondContact CD1-OE1 3.37Å; L263-E267 WeakPolarHBondContact O-CG 3.35Å; L263-E267 PolarHBondContact O-N 2.88Å |
| 264 | D | 96.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 56.5 Ų | 56.5 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 179 | -63.1 | -21.6 | 0 | 0 | 0 | 111.4 | S260 I262 V266 E267 Q268 | S260-D264 PolarHBondContact O-N 3.44Å; I262-D264 PolarHBondContact O-N 3.35Å; D264-V266 PolarHBondContact O-N 2.93Å; D264-E267 PolarHBondContact O-N 3.35Å; D264-Q268 WeakPolarHBondContact O-CB 3.41Å; D264-Q268 VanDerWaalsContact O-CG 3.26Å; D264-Q268 WeakPolarHBondContact O-CG 3.38Å; D264-Q268 PolarHBondContact O-N 3.15Å |
| 265 | A | 96.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.6 | -33.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A261 I262 L263 N269 T270 L271 F320 | A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.48Å; A261-A265 PolarHBondContact O-N 3.11Å; I262-A265 PolarHBondContact O-N 3.19Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 3Å; A265-N269 PolarHBondContact O-N 2.82Å; A265-T270 WeakPolarHBondContact CA-OG1 2.93Å; A265-T270 PolarHBondContact O-N 2.99Å; A265-T270 PolarHBondContact O-OG1 3.05Å; A265-L271 HydrophobicContact CB-CB 4.01Å; A265-L271 HydrophobicContact CB-CD1 4.34Å; A265-L271 PolarHBondContact O-N 3.21Å; A265-F320 HydrophobicContact CB-CD1 3.6Å; A265-F320 HydrophobicContact CB-CE1 4.24Å |
| 266 | V | 96.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | I262 L263 D264 Q268 N269 L271 V340 F344 R348 | I262-V266 HydrophobicContact CG2-CG2 4.12Å; I262-V266 WeakPolarHBondContact O-CB 3.48Å; I262-V266 WeakPolarHBondContact O-CG2 3.44Å; I262-V266 PolarHBondContact O-N 3.28Å; L263-V266 PolarHBondContact O-N 2.9Å; L263-V266 VanDerWaalsContact O-N 3.15Å; D264-V266 PolarHBondContact O-N 2.93Å; V266-Q268 VanDerWaalsContact C-N 3.35Å; V266-Q268 PolarHBondContact O-N 2.91Å; V266-N269 PolarHBondContact O-N 3.36Å; V266-N269 VanDerWaalsContact O-N 3.15Å; V266-L271 HydrophobicContact CG2-CB 4.37Å; V266-L271 HydrophobicContact CG2-CD2 3.68Å; V266-V340 HydrophobicContact CG1-CG1 4.18Å; V266-F344 HydrophobicContact CG1-CB 4.22Å; V266-F344 HydrophobicContact CG1-CD2 3.4Å; V266-F344 HydrophobicContact CG1-CE2 3.93Å; V266-F344 HydrophobicContact CG1-CG 3.97Å; V266-R348 PolarHBondContact O-NH2 3.3Å |
| 267 | E | 95.5 | Very high | 93.1 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 178.8 | -72.6 | 177.2 | 179 | 0 | 0 | 112.3 | R234 Y243 L263 D264 N269 F344 R348 | R234-E267 IonicContact CZ-OE1 2.79Å; R234-E267 IonicContact NH1-OE1 3.31Å; R234-E267 PolarHBondContact NH1-OE1 3.36Å; Y243-E267 WeakPolarHBondContact CE1-OE1 3.49Å; Y243-E267 VanDerWaalsContact CZ-OE1 3.23Å; Y243-E267 VanDerWaalsContact OH-CD 3.24Å; Y243-E267 PolarHBondContact OH-OE1 2.98Å; L263-E267 HydrophobicContact CD1-CG 4.2Å; L263-E267 WeakPolarHBondContact CD1-OE1 3.37Å; L263-E267 WeakPolarHBondContact O-CG 3.35Å; L263-E267 PolarHBondContact O-N 2.88Å; D264-E267 PolarHBondContact O-N 3.35Å; E267-N269 VanDerWaalsContact C-N 3.28Å; E267-N269 PolarHBondContact O-N 3.48Å; E267-F344 HydrophobicContact CG-CE1 4.12Å; E267-F344 HydrophobicContact CG-CZ 3.95Å; E267-R348 VanDerWaalsContact C-NH2 3.29Å; E267-R348 PolarHBondContact O-NH2 2.67Å |
| 268 | Q | 95.7 | Very high | 91.2 | Very high | 133 Ų | 133 | 49.7 Ų | 49.7 | 62% | 0.621 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.8 | 176.9 | -65.2 | 169.1 | 34.3 | 0 | 0 | 113.7 | D264 V266 T270 | D264-Q268 WeakPolarHBondContact O-CB 3.41Å; D264-Q268 VanDerWaalsContact O-CG 3.26Å; D264-Q268 WeakPolarHBondContact O-CG 3.38Å; D264-Q268 PolarHBondContact O-N 3.15Å; V266-Q268 VanDerWaalsContact C-N 3.35Å; V266-Q268 PolarHBondContact O-N 2.91Å; Q268-T270 VanDerWaalsContact C-N 3.3Å; Q268-T270 HydrophobicContact CB-CG2 4.09Å; Q268-T270 PolarHBondContact O-N 3.1Å |
| 269 | N | 95.6 | Very high | 88.9 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 36.9 | -176.4 | -159.8 | 50.9 | 0 | 0 | 0 | 113.9 | A265 V266 E267 R348 | A265-N269 PolarHBondContact O-N 2.82Å; V266-N269 PolarHBondContact O-N 3.36Å; V266-N269 VanDerWaalsContact O-N 3.15Å; E267-N269 VanDerWaalsContact C-N 3.28Å; E267-N269 PolarHBondContact O-N 3.48Å; N269-R348 PolarHBondContact OD1-NH1 2.67Å; N269-R348 VanDerWaalsContact OD1-NH1 3.09Å |
| 270 | T | 96 | Very high | 86.4 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -111.8 | 1.1 | -178.8 | 58 | 0 | 0 | 0 | 0 | 113.1 | A265 Q268 G321 | A265-T270 WeakPolarHBondContact CA-OG1 2.93Å; A265-T270 PolarHBondContact O-N 2.99Å; A265-T270 PolarHBondContact O-OG1 3.05Å; Q268-T270 VanDerWaalsContact C-N 3.3Å; Q268-T270 HydrophobicContact CB-CG2 4.09Å; Q268-T270 PolarHBondContact O-N 3.1Å; T270-G321 WeakPolarHBondContact O-CA 3.44Å; T270-G321 PolarHBondContact O-N 2.92Å | ||
| 271 | L | 95.6 | Very high | 83.8 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.8 | 176.3 | -171.8 | 75.7 | 0 | 0 | 0 | 111.5 | I262 A265 V266 I318 F320 I337 | I262-L271 HydrophobicContact CG2-CD2 4.17Å; A265-L271 HydrophobicContact CB-CB 4.01Å; A265-L271 HydrophobicContact CB-CD1 4.34Å; A265-L271 PolarHBondContact O-N 3.21Å; V266-L271 HydrophobicContact CG2-CB 4.37Å; V266-L271 HydrophobicContact CG2-CD2 3.68Å; L271-I318 HydrophobicContact CD1-CB 4.37Å; L271-F320 HydrophobicContact CD1-CD1 3.59Å; L271-F320 HydrophobicContact CD1-CE1 3.54Å; L271-F320 HydrophobicContact CD1-CZ 4.48Å; L271-I337 HydrophobicContact CD2-CG2 3.48Å; L271-I337 VanDerWaalsContact CD2-CG2 3.48Å |
| 272 | S | 91.9 | Very high | 81.2 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.6 | 168.1 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | I318 K319 | S272-I318 VanDerWaalsContact O-CA 3.25Å; S272-I318 WeakPolarHBondContact O-CA 3.34Å; S272-K319 PolarHBondContact N-O 3.01Å; S272-K319 PolarHBondContact O-N 3.24Å; S272-K319 WeakPolarHBondContact OG-CB 3.48Å |
| 273 | V | 92.3 | Very high | 78.6 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 113.9 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | H316 I318 R334 I337 | V273-H316 HydrophobicContact CG1-CB 4.47Å; V273-I318 HydrophobicContact CB-CG2 4.49Å; V273-I318 HydrophobicContact CG1-CG2 4.28Å; V273-I318 HydrophobicContact CG2-CG2 4Å; V273-R334 HydrophobicContact CG1-CG 4.2Å; V273-I337 HydrophobicContact CG2-CG2 4.47Å |
| 274 | E | 89.9 | Confident | 75.9 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 27% | 0.271 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.7 | -174.5 | -66.6 | 171.7 | -166.9 | 0 | 0 | 110.8 | H316 R317 Y326 | E274-H316 CarbonylContact O-C 3.36Å; E274-H316 VanDerWaalsContact O-CA 3.28Å; E274-H316 WeakPolarHBondContact O-CA 3.03Å; E274-R317 HydrophobicContact CB-CG 4.06Å; E274-R317 PolarHBondContact N-O 2.91Å; E274-R317 PolarHBondContact O-N 2.86Å; E274-R317 IonicContact OE2-CZ 3.3Å; E274-R317 VanDerWaalsContact OE2-CZ 3.31Å; E274-R317 IonicContact OE2-NE 2.67Å; E274-R317 PolarHBondContact OE2-NE 3.44Å; E274-R317 IonicContact OE2-NH2 3.4Å; E274-R317 PolarHBondContact OE2-NH2 3.37Å; E274-Y326 WeakPolarHBondContact OE2-CE1 3.25Å |
| 275 | P | 89.8 | Confident | 73.4 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 142.7 | 166 | 30.7 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 276 | V | 83.8 | Confident | 70.9 | Confident | 28 Ų | 28 | 85.8 Ų | 85.8 | 17% | 0.17 | 48% | 0.48 | C | S | . | . | trans | -96.3 | 113.8 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 106.7 | K315 R317 Y328 | V276-K315 PolarHBondContact N-O 3.48Å; V276-R317 HydrophobicContact CG2-CB 3.94Å; V276-R317 HydrophobicContact CG2-CG 3.86Å; V276-Y328 HydrophobicContact CB-CE1 4.44Å; V276-Y328 HydrophobicContact CG1-CE1 4.05Å; V276-Y328 HydrophobicContact CG2-CD1 4.17Å; V276-Y328 HydrophobicContact CG2-CE1 3.75Å | ||
| 277 | G | 66.8 | Low | 68.4 | Low | 54 Ų | 54 | 89.3 Ų | 89.3 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | trans | -60.8 | 151.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q279 | G277-Q279 PolarHBondContact O-N 2.92Š| ||
| 278 | F | 54.5 | Low | 65.9 | Low | 173 Ų | 173 | 88.5 Ų | 88.5 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | trans | -70 | 73.3 | 170.1 | -79.5 | -90.8 | 0 | 0 | 0 | 109.9 | ||||
| 279 | Q | 45.5 | Very low | 63.5 | Low | 149 Ų | 149 | 86.5 Ų | 86.5 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | trans | -102.8 | 128.7 | 166.1 | -70.2 | -76.5 | -21 | 0 | 0 | 106.6 | G277 L281 | G277-Q279 PolarHBondContact O-N 2.92Å; Q279-L281 PolarHBondContact O-N 2.88Å | ||
| 280 | P | 43.1 | Very low | 61.1 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 81% | 0.812 | 52% | 0.522 | S | S | * | . | trans | -59.5 | 102.6 | 168 | -13.2 | 26.5 | 0 | 0 | 0 | 107 | ||||
| 281 | L | 42.4 | Very low | 58.5 | Low | 88 Ų | 88 | 91.9 Ų | 91.9 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | trans | -68.8 | 135.8 | -179.8 | -76.1 | 166.5 | 0 | 0 | 0 | 108.6 | Q279 V283 L301 Y328 | Q279-L281 PolarHBondContact O-N 2.88Å; L281-V283 PolarHBondContact O-N 3.43Å; L281-L301 HydrophobicContact CD1-CD2 4.39Å; L281-Y328 WeakPolarHBondContact CD1-OH 3.2Å | ||
| 282 | P | 40.4 | Very low | 56 | Low | 104 Ų | 104 | 94.1 Ų | 94.1 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | trans | -56.9 | 133.7 | 166.7 | -16.6 | 29.5 | 0 | 0 | 0 | 108 | V284 | P282-V284 HydrophobicContact CB-CG2 4.38Å; P282-V284 PolarHBondContact O-N 3.1Å | ||
| 283 | V | 43.4 | Very low | 53.6 | Low | 151 Ų | 151 | 95.9 Ų | 95.9 | 92% | 0.915 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -59.8 | 79.3 | 179.4 | -178 | 0 | 0 | 0 | 0 | 109.9 | L281 | L281-V283 PolarHBondContact O-N 3.43Š|
| 284 | V | 41.7 | Very low | 51.2 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 66% | 0.655 | 62% | 0.615 | S | S | * | * | trans | -140 | 100.2 | 176.9 | -166.8 | 0 | 0 | 0 | 0 | 109.1 | P282 A286 | P282-V284 HydrophobicContact CB-CG2 4.38Å; P282-V284 PolarHBondContact O-N 3.1Å; V284-A286 PolarHBondContact O-N 3.22Å | ||
| 285 | K | 44.1 | Very low | 48.8 | Very low | 209 Ų | 209 | 104.7 Ų | 104.7 | 91% | 0.909 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 68.9 | 28.1 | 157.1 | -61.2 | 179.6 | 179.3 | 177.5 | 0 | 118.9 | ||
| 286 | A | 43.2 | Very low | 46.7 | Very low | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -126.8 | 139.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V284 A288 | V284-A286 PolarHBondContact O-N 3.22Å; A286-A288 PolarHBondContact O-N 3.22Å |
| 287 | S | 44.3 | Very low | 44.7 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -67.7 | 59.3 | 177.3 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | K304 | S287-K304 VanDerWaalsContact OG-CB 3.31Å; S287-K304 WeakPolarHBondContact OG-CB 3.48Å | ||
| 288 | A | 43.4 | Very low | 43.7 | Very low | 44 Ų | 44 | 123 Ų | 123 | 36% | 0.364 | 70% | 0.7 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 118.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107 | A286 L301 T303 | A286-A288 PolarHBondContact O-N 3.22Å; A288-L301 HydrophobicContact CB-CD1 3.87Å; A288-T303 HydrophobicContact CB-CG2 3.99Å |
| 289 | V | 45.8 | Very low | 43.3 | Very low | 91 Ų | 91 | 117.1 Ų | 117.1 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 116 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 105.9 | C291 V302 | V289-C291 PolarHBondContact O-N 3.25Å; V289-C291 VanDerWaalsContact O-N 3.11Å; V289-V302 PolarHBondContact N-O 3.43Å |
| 290 | E | 44.5 | Very low | 43.6 | Very low | 158 Ų | 158 | 112.2 Ų | 112.2 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -70.7 | 101.5 | 168 | -73.2 | -173.5 | 152.2 | 0 | 0 | 108.5 | G292 | E290-G292 VanDerWaalsContact C-N 3.32Å; E290-G292 PolarHBondContact O-N 3.41Å; E290-G292 VanDerWaalsContact O-N 3.09Å | ||
| 291 | C | 43.1 | Very low | 44.3 | Very low | 88 Ų | 88 | 108.8 Ų | 108.8 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | trans | -81.1 | 82.6 | 170.1 | -63 | 0 | 0 | 0 | 0 | 109 | V289 G293 | V289-C291 PolarHBondContact O-N 3.25Å; V289-C291 VanDerWaalsContact O-N 3.11Å; C291-G293 PolarHBondContact O-N 3.25Å | ||
| 292 | G | 42.6 | Very low | 45.4 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | trans | -71.6 | 113.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E290 | E290-G292 VanDerWaalsContact C-N 3.32Å; E290-G292 PolarHBondContact O-N 3.41Å; E290-G292 VanDerWaalsContact O-N 3.09Å | ||
| 293 | G | 40.6 | Very low | 47.2 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | trans | -82.4 | 156.4 | 164 | 0 | 0 | 0 | 0 | 0 | 111 | C291 N295 | C291-G293 PolarHBondContact O-N 3.25Å; G293-N295 PolarHBondContact O-N 3.32Å | ||
| 294 | P | 42.3 | Very low | 49.2 | Very low | 133 Ų | 133 | 99.2 Ų | 99.2 | 86% | 0.864 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 4.3 | -169.5 | -2.2 | 3.8 | 0 | 0 | 0 | 117.5 | ||
| 295 | N | 40.2 | Very low | 51.7 | Low | 140 Ų | 140 | 94.1 Ų | 94.1 | 75% | 0.749 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | 27.1 | -162.5 | -64.8 | -10.1 | 0 | 0 | 0 | 115.7 | G293 R297 | G293-N295 PolarHBondContact O-N 3.32Å; N295-R297 PolarHBondContact O-N 3.45Å |
| 296 | G | 45.3 | Very low | 54 | Low | 82 Ų | 82 | 84.8 Ų | 84.8 | 85% | 0.845 | 51% | 0.508 | S | S | * | . | trans | 62.7 | 17.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 297 | R | 42 | Very low | 56.4 | Low | 232 Ų | 232 | 82 Ų | 82 | 88% | 0.875 | 49% | 0.486 | S | S | * | . | trans | -76.9 | 132.4 | 168.5 | -70.5 | -174.2 | 177.9 | -176.3 | -0.7 | 108.9 | N295 A299 | N295-R297 PolarHBondContact O-N 3.45Å; R297-A299 PolarHBondContact O-N 2.93Å | ||
| 298 | R | 45.6 | Very low | 58.7 | Low | 248 Ų | 248 | 79 Ų | 79 | 94% | 0.936 | 46% | 0.464 | S | S | * | . | trans | -45.7 | 126.3 | 179.7 | -63.3 | -179.3 | -137.5 | -176.9 | 5 | 110.4 | A300 | R298-A300 PolarHBondContact O-N 3.32Š| ||
| 299 | A | 46.6 | Very low | 60.8 | Low | 49 Ų | 49 | 78.2 Ų | 78.2 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | trans | -61.7 | 118.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R297 L301 | R297-A299 PolarHBondContact O-N 2.93Å; A299-L301 PolarHBondContact O-N 2.89Å | ||
| 300 | A | 51.8 | Low | 62.9 | Low | 47 Ų | 47 | 78.8 Ų | 78.8 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | trans | -65.6 | 129.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | R298 V302 T313 | R298-A300 PolarHBondContact O-N 3.32Å; A300-V302 VanDerWaalsContact C-N 3.32Å; A300-V302 PolarHBondContact O-N 3.17Å; A300-T313 HydrophobicContact CB-CG2 4.42Å | ||
| 301 | L | 58.2 | Low | 65 | Low | 52 Ų | 52 | 75.5 Ų | 75.5 | 27% | 0.272 | 45% | 0.448 | S | S | . | . | trans | -66.6 | 95.4 | 174.9 | -175.9 | 68.1 | 0 | 0 | 0 | 108.4 | L281 A288 A299 T303 | L281-L301 HydrophobicContact CD1-CD2 4.39Å; A288-L301 HydrophobicContact CB-CD1 3.87Å; A299-L301 PolarHBondContact O-N 2.89Å; L301-T303 HydrophobicContact CD1-CG2 4.25Å; L301-T303 HydrophobicContact CD2-CG2 4.07Å; L301-T303 HydrophobicContact CG-CG2 3.78Å; L301-T303 PolarHBondContact O-N 2.67Å | ||
| 302 | V | 64.5 | Low | 67 | Low | 27 Ų | 27 | 76.3 Ų | 76.3 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 107.4 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 107.4 | V289 A300 T311 | V289-V302 PolarHBondContact N-O 3.43Å; A300-V302 VanDerWaalsContact C-N 3.32Å; A300-V302 PolarHBondContact O-N 3.17Å; V302-T311 HydrophobicContact CG1-CG2 3.11Å |
| 303 | T | 77.4 | Confident | 69.1 | Low | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.025 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.6 | -178.3 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | A288 L301 C305 K312 C314 | A288-T303 HydrophobicContact CB-CG2 3.99Å; L301-T303 HydrophobicContact CD1-CG2 4.25Å; L301-T303 HydrophobicContact CD2-CG2 4.07Å; L301-T303 HydrophobicContact CG-CG2 3.78Å; L301-T303 PolarHBondContact O-N 2.67Å; T303-C305 PolarHBondContact O-N 3.4Å; T303-K312 PolarHBondContact N-O 2.96Å; T303-K312 PolarHBondContact O-N 3.05Å; T303-C314 WeakPolarHBondContact OG1-CB 3.42Å; T303-C314 PolarHBondContact OG1-SG 2.79Å |
| 304 | K | 87.1 | Confident | 71.4 | Confident | 112 Ų | 112 | 73.2 Ų | 73.2 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 119.9 | 169.7 | -164.1 | 174.4 | -175.1 | 174.6 | 0 | 109.4 | S287 A306 G309 | S287-K304 VanDerWaalsContact OG-CB 3.31Å; S287-K304 WeakPolarHBondContact OG-CB 3.48Å; K304-A306 PolarHBondContact O-N 3.47Å; K304-G309 WeakPolarHBondContact CE-O 3.33Å; K304-G309 WeakPolarHBondContact CG-O 3.1Å |
| 305 | C | 92.8 | Very high | 73.7 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -60.5 | 126.5 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | T303 L307 S308 G309 Q310 S330 C333 | T303-C305 PolarHBondContact O-N 3.4Å; C305-L307 PolarHBondContact O-N 3.47Å; C305-S308 WeakPolarHBondContact CB-OG 3.14Å; C305-S308 PolarHBondContact SG-OG 3.05Å; C305-G309 VanDerWaalsContact O-CA 3.24Å; C305-G309 WeakPolarHBondContact O-CA 3.19Å; C305-G309 PolarHBondContact O-N 2.9Å; C305-Q310 WeakPolarHBondContact CB-O 3.22Å; C305-Q310 PolarHBondContact N-O 3.47Å; C305-S330 PolarHBondContact SG-N 3.37Å; C305-C333 VanDerWaalsContact SG-SG 3.61Å | ||
| 306 | A | 93.5 | Very high | 76.1 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K255 L258 K304 Y327 Y328 | K255-A306 WeakPolarHBondContact CD-O 3.33Å; K255-A306 WeakPolarHBondContact CE-O 3.43Å; K255-A306 PolarHBondContact NZ-O 2.87Å; L258-A306 HydrophobicContact CD2-CB 4.08Å; K304-A306 PolarHBondContact O-N 3.47Å; A306-Y327 HydrophobicContact CB-CD1 4.18Å; A306-Y327 HydrophobicContact CB-CG 4.48Å; A306-Y328 WeakPolarHBondContact CB-O 3.27Å; A306-Y328 PolarHBondContact N-O 2.85Å |
| 307 | L | 93.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -50.3 | -174.4 | -69.2 | 164.7 | 0 | 0 | 0 | 113.6 | F253 K255 L258 I262 C305 I318 V329 C333 I337 | F253-L307 HydrophobicContact CB-CB 4.22Å; F253-L307 HydrophobicContact CB-CD2 4.31Å; F253-L307 HydrophobicContact CD1-CB 3.93Å; F253-L307 HydrophobicContact CD2-CB 4.47Å; F253-L307 HydrophobicContact CD2-CD1 4.42Å; F253-L307 HydrophobicContact CD2-CD2 3.71Å; F253-L307 HydrophobicContact CD2-CG 4.43Å; F253-L307 HydrophobicContact CE1-CB 4.43Å; F253-L307 HydrophobicContact CE1-CD1 4.29Å; F253-L307 HydrophobicContact CE2-CD1 4.16Å; F253-L307 HydrophobicContact CE2-CD2 4.16Å; F253-L307 HydrophobicContact CG-CB 3.96Å; F253-L307 HydrophobicContact CG-CD2 3.98Å; F253-L307 HydrophobicContact CG-CG 4.41Å; F253-L307 HydrophobicContact CZ-CD1 4.1Å; K255-L307 PolarHBondContact N-O 3.46Å; L258-L307 HydrophobicContact CB-CD2 4Å; L258-L307 HydrophobicContact CD2-CD2 3.49Å; L258-L307 VanDerWaalsContact CD2-CD2 3.49Å; L258-L307 HydrophobicContact CD2-CG 4.03Å; L258-L307 HydrophobicContact CG-CD2 3.61Å; I262-L307 HydrophobicContact CD1-CD1 3.78Å; I262-L307 HydrophobicContact CD1-CD2 3.45Å; I262-L307 VanDerWaalsContact CD1-CD2 3.45Å; I262-L307 HydrophobicContact CD1-CG 4.22Å; C305-L307 PolarHBondContact O-N 3.47Å; L307-I318 HydrophobicContact CD1-CD1 4.47Å; L307-V329 HydrophobicContact CD1-CB 4.44Å; L307-V329 HydrophobicContact CD1-CG1 3.59Å; L307-V329 HydrophobicContact CG-CG1 4.27Å; L307-C333 HydrophobicContact CB-CB 4.42Å; L307-C333 HydrophobicContact CD1-CB 3.88Å; L307-I337 HydrophobicContact CD1-CD1 3.67Å |
| 308 | S | 91.7 | Very high | 80.8 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -16.6 | -178.7 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | C305 Q310 | C305-S308 WeakPolarHBondContact CB-OG 3.14Å; C305-S308 PolarHBondContact SG-OG 3.05Å; S308-Q310 PolarHBondContact O-N 3.32Å; S308-Q310 PolarHBondContact OG-N 3.24Å |
| 309 | G | 88.3 | Confident | 83 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | trans | 70.3 | 1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K304 C305 | K304-G309 WeakPolarHBondContact CE-O 3.33Å; K304-G309 WeakPolarHBondContact CG-O 3.1Å; C305-G309 VanDerWaalsContact O-CA 3.24Å; C305-G309 WeakPolarHBondContact O-CA 3.19Å; C305-G309 PolarHBondContact O-N 2.9Å | ||
| 310 | Q | 88.7 | Confident | 85.2 | Confident | 103 Ų | 103 | 42 Ų | 42 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | trans | -82.9 | 143.7 | -179.8 | -62 | -179.6 | 33.6 | 0 | 0 | 111.3 | C305 S308 K312 | C305-Q310 WeakPolarHBondContact CB-O 3.22Å; C305-Q310 PolarHBondContact N-O 3.47Å; S308-Q310 PolarHBondContact O-N 3.32Å; S308-Q310 PolarHBondContact OG-N 3.24Å; Q310-K312 HydrophobicContact CB-CG 4.28Å; Q310-K312 PolarHBondContact O-N 3.38Å | ||
| 311 | T | 88.3 | Confident | 87 | Confident | 90 Ų | 90 | 41.2 Ų | 41.2 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112.4 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | V302 | V302-T311 HydrophobicContact CG1-CG2 3.11Å |
| 312 | K | 86.1 | Confident | 88.3 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 160.8 | -175.6 | -63.9 | -67.6 | -178.6 | 178.4 | 0 | 110.2 | T303 Q310 C314 | T303-K312 PolarHBondContact N-O 2.96Å; T303-K312 PolarHBondContact O-N 3.05Å; Q310-K312 HydrophobicContact CB-CG 4.28Å; Q310-K312 PolarHBondContact O-N 3.38Å; K312-C314 PolarHBondContact O-N 3.23Å; K312-C314 PolarHBondContact O-SG 2.86Å |
| 313 | T | 87 | Confident | 89.2 | Confident | 56 Ų | 56 | 47 Ų | 47 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 100.6 | 171.1 | -49.6 | 0 | 0 | 0 | 0 | 109.8 | A300 K315 P331 | A300-T313 HydrophobicContact CB-CG2 4.42Å; T313-K315 HydrophobicContact CG2-CG 4.36Å; T313-P331 WeakPolarHBondContact O-CD 3.42Å |
| 314 | C | 89.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | trans | -96 | 97.2 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 109.6 | T303 K312 H316 Y328 V329 | T303-C314 WeakPolarHBondContact OG1-CB 3.42Å; T303-C314 PolarHBondContact OG1-SG 2.79Å; K312-C314 PolarHBondContact O-N 3.23Å; K312-C314 PolarHBondContact O-SG 2.86Å; C314-H316 PolarHBondContact O-N 2.97Å; C314-Y328 HydrophobicContact CB-CD1 4.45Å; C314-V329 WeakPolarHBondContact CB-O 3.37Å; C314-V329 VanDerWaalsContact SG-C 3.57Å | ||
| 315 | K | 89.2 | Confident | 89.3 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | trans | -79 | -0.4 | 176.7 | -59.5 | 179.8 | -179.2 | 172.5 | 0 | 113.5 | V276 T313 L386 | V276-K315 PolarHBondContact N-O 3.48Å; T313-K315 HydrophobicContact CG2-CG 4.36Å; K315-L386 PolarHBondContact NZ-OXT 2.77Å | ||
| 316 | H | 91 | Very high | 89.2 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.7 | -174.4 | -67.7 | 77.7 | 0 | 0 | 0 | 111.2 | V273 E274 C314 V329 R334 | V273-H316 HydrophobicContact CG1-CB 4.47Å; E274-H316 CarbonylContact O-C 3.36Å; E274-H316 VanDerWaalsContact O-CA 3.28Å; E274-H316 WeakPolarHBondContact O-CA 3.03Å; C314-H316 PolarHBondContact O-N 2.97Å; H316-V329 HydrophobicContact CB-CG2 4.14Å; H316-V329 PolarHBondContact O-N 3.4Å; H316-R334 VanDerWaalsContact CD2-CZ 3.49Å; H316-R334 PolarHBondContact CD2-NE 3.13Å; H316-R334 PolarHBondContact CE1-NH1 3.49Å; H316-R334 VanDerWaalsContact CG-CD 3.48Å; H316-R334 PolarHBondContact NE2-NE 2.97Å; H316-R334 PolarHBondContact NE2-NH1 3.4Å; H316-R334 PolarHBondContact NE2-NH2 3.22Å |
| 317 | R | 92.1 | Very high | 89.1 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.6 | 173.7 | 65.8 | -175 | -171.9 | -177.6 | 3.2 | 110.2 | E274 V276 Y326 Y327 | E274-R317 HydrophobicContact CB-CG 4.06Å; E274-R317 PolarHBondContact N-O 2.91Å; E274-R317 PolarHBondContact O-N 2.86Å; E274-R317 IonicContact OE2-CZ 3.3Å; E274-R317 VanDerWaalsContact OE2-CZ 3.31Å; E274-R317 IonicContact OE2-NE 2.67Å; E274-R317 PolarHBondContact OE2-NE 3.44Å; E274-R317 IonicContact OE2-NH2 3.4Å; E274-R317 PolarHBondContact OE2-NH2 3.37Å; V276-R317 HydrophobicContact CG2-CB 3.94Å; V276-R317 HydrophobicContact CG2-CG 3.86Å; R317-Y326 HydrophobicContact CB-CD1 4.45Å; R317-Y326 HydrophobicContact CG-CD1 3.8Å; R317-Y326 HydrophobicContact CG-CG 4.43Å; R317-Y326 VanDerWaalsContact NE-CD1 3.34Å; R317-Y327 CarbonylContact C-O 3.59Å; R317-Y327 VanDerWaalsContact CA-O 3.27Å; R317-Y327 WeakPolarHBondContact CA-O 3.49Å |
| 318 | I | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151 | 174.8 | 66.2 | 174.7 | 0 | 0 | 0 | 110.7 | I262 L271 S272 V273 L307 F320 Y326 Y327 V329 I337 | I262-I318 HydrophobicContact CD1-CD1 3.7Å; I262-I318 HydrophobicContact CG1-CD1 3.97Å; L271-I318 HydrophobicContact CD1-CB 4.37Å; S272-I318 VanDerWaalsContact O-CA 3.25Å; S272-I318 WeakPolarHBondContact O-CA 3.34Å; V273-I318 HydrophobicContact CB-CG2 4.49Å; V273-I318 HydrophobicContact CG1-CG2 4.28Å; V273-I318 HydrophobicContact CG2-CG2 4Å; L307-I318 HydrophobicContact CD1-CD1 4.47Å; I318-F320 HydrophobicContact CD1-CZ 4.18Å; I318-Y326 WeakPolarHBondContact O-CA 3.28Å; I318-Y327 HydrophobicContact CG1-CD2 4.46Å; I318-Y327 PolarHBondContact N-O 3.2Å; I318-Y327 PolarHBondContact O-N 3.42Å; I318-V329 HydrophobicContact CD1-CG1 3.96Å; I318-V329 HydrophobicContact CG1-CG1 4.01Å; I318-V329 HydrophobicContact CG2-CG1 4.03Å; I318-V329 HydrophobicContact CG2-CG2 3.94Å; I318-I337 HydrophobicContact CD1-CD1 4.25Å; I318-I337 HydrophobicContact CG2-CD1 4.33Å |
| 319 | K | 92.9 | Very high | 89.2 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145.8 | 176.1 | 162 | 176 | 163.7 | 155.1 | 0 | 109.9 | S272 G321 D322 S323 Y326 | S272-K319 PolarHBondContact N-O 3.01Å; S272-K319 PolarHBondContact O-N 3.24Å; S272-K319 WeakPolarHBondContact OG-CB 3.48Å; K319-G321 WeakPolarHBondContact CE-O 3.27Å; K319-D322 PolarHBondContact NZ-O 3.24Å; K319-S323 WeakPolarHBondContact CD-O 2.85Å; K319-S323 WeakPolarHBondContact CE-O 3.13Å; K319-S323 PolarHBondContact NZ-O 2.96Å; K319-Y326 HydrophobicContact CB-CD1 3.88Å; K319-Y326 HydrophobicContact CB-CE1 3.89Å; K319-Y326 HydrophobicContact CD-CD1 4.46Å; K319-Y326 HydrophobicContact CD-CE1 3.75Å; K319-Y326 HydrophobicContact CG-CE1 4.41Å |
| 320 | F | 92.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 16% | 0.158 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.2 | 179.9 | -53.8 | -75.5 | 0 | 0 | 0 | 110 | L258 A261 I262 A265 L271 I318 D322 S323 Y327 | L258-F320 HydrophobicContact CD1-CE2 3.63Å; L258-F320 HydrophobicContact CD1-CZ 3.6Å; L258-F320 HydrophobicContact CG-CZ 4.48Å; A261-F320 HydrophobicContact CB-CE1 4.33Å; A261-F320 HydrophobicContact CB-CZ 4.3Å; I262-F320 HydrophobicContact CB-CE1 4.36Å; I262-F320 HydrophobicContact CG1-CE1 3.64Å; I262-F320 HydrophobicContact CG1-CZ 3.77Å; A265-F320 HydrophobicContact CB-CD1 3.6Å; A265-F320 HydrophobicContact CB-CE1 4.24Å; L271-F320 HydrophobicContact CD1-CD1 3.59Å; L271-F320 HydrophobicContact CD1-CE1 3.54Å; L271-F320 HydrophobicContact CD1-CZ 4.48Å; I318-F320 HydrophobicContact CD1-CZ 4.18Å; F320-D322 PolarHBondContact O-N 2.99Å; F320-S323 WeakPolarHBondContact O-CB 3.46Å; F320-S323 PolarHBondContact O-N 2.89Å; F320-Y327 HydrophobicContact CD2-CD2 4.23Å; F320-Y327 AromaticContact CD2-CE2 3.78Å; F320-Y327 HydrophobicContact CD2-CE2 3.78Å; F320-Y327 AromaticContact CE2-CD2 3.7Å; F320-Y327 HydrophobicContact CE2-CD2 3.7Å; F320-Y327 AromaticContact CE2-CE2 3.5Å; F320-Y327 HydrophobicContact CE2-CE2 3.5Å; F320-Y327 VanDerWaalsContact CE2-CE2 3.5Å |
| 321 | G | 89.3 | Confident | 89.6 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | -130.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T270 K319 S323 | T270-G321 WeakPolarHBondContact O-CA 3.44Å; T270-G321 PolarHBondContact O-N 2.92Å; K319-G321 WeakPolarHBondContact CE-O 3.27Å; G321-S323 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 3.5Å |
| 322 | D | 84.6 | Confident | 90 | Very high | 161 Ų | 161 | 51.9 Ų | 51.9 | 86% | 0.861 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 8.5 | 179.3 | -61 | -43.2 | 0 | 0 | 0 | 114.1 | K319 F320 S324 | K319-D322 PolarHBondContact NZ-O 3.24Å; F320-D322 PolarHBondContact O-N 2.99Å; D322-S324 PolarHBondContact O-N 2.83Å |
| 323 | S | 85 | Confident | 90.4 | Very high | 41 Ų | 41 | 47 Ų | 47 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | trans | -53.4 | 140.4 | -179.7 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | K319 F320 G321 N325 | K319-S323 WeakPolarHBondContact CD-O 2.85Å; K319-S323 WeakPolarHBondContact CE-O 3.13Å; K319-S323 PolarHBondContact NZ-O 2.96Å; F320-S323 WeakPolarHBondContact O-CB 3.46Å; F320-S323 PolarHBondContact O-N 2.89Å; G321-S323 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 3.5Å; S323-N325 PolarHBondContact O-N 3.38Å; S323-N325 PolarHBondContact OG-N 3.3Å | ||
| 324 | S | 79.6 | Confident | 90.8 | Very high | 95 Ų | 95 | 48.2 Ų | 48.2 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.3 | -10 | 174 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | D322 | D322-S324 PolarHBondContact O-N 2.83Š|
| 325 | N | 85.8 | Confident | 91.2 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | trans | -89.5 | 131.5 | -173.4 | -64.5 | -44.3 | 0 | 0 | 0 | 111.7 | S323 Y327 | S323-N325 PolarHBondContact O-N 3.38Å; S323-N325 PolarHBondContact OG-N 3.3Å; N325-Y327 HydrophobicContact CB-CE2 4.06Å | ||
| 326 | Y | 90.6 | Very high | 91.6 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 33% | 0.333 | 24% | 0.239 | S | C | . | . | trans | -111.8 | 142.2 | 175 | -66.3 | -82.7 | 0 | 0 | 0 | 111.1 | E274 R317 I318 K319 | E274-Y326 WeakPolarHBondContact OE2-CE1 3.25Å; R317-Y326 HydrophobicContact CB-CD1 4.45Å; R317-Y326 HydrophobicContact CG-CD1 3.8Å; R317-Y326 HydrophobicContact CG-CG 4.43Å; R317-Y326 VanDerWaalsContact NE-CD1 3.34Å; I318-Y326 WeakPolarHBondContact O-CA 3.28Å; K319-Y326 HydrophobicContact CB-CD1 3.88Å; K319-Y326 HydrophobicContact CB-CE1 3.89Å; K319-Y326 HydrophobicContact CD-CD1 4.46Å; K319-Y326 HydrophobicContact CD-CE1 3.75Å; K319-Y326 HydrophobicContact CG-CE1 4.41Å | ||
| 327 | Y | 92.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.3 | 178.8 | -56.4 | -91.8 | 0 | 0 | 0 | 109.8 | L258 A306 R317 I318 F320 N325 V329 | L258-Y327 HydrophobicContact CD1-CD1 4.31Å; L258-Y327 HydrophobicContact CD1-CE1 4.23Å; L258-Y327 HydrophobicContact CD1-CG 4.5Å; L258-Y327 HydrophobicContact CD2-CD1 4.15Å; L258-Y327 HydrophobicContact CD2-CG 4.5Å; A306-Y327 HydrophobicContact CB-CD1 4.18Å; A306-Y327 HydrophobicContact CB-CG 4.48Å; R317-Y327 CarbonylContact C-O 3.59Å; R317-Y327 VanDerWaalsContact CA-O 3.27Å; R317-Y327 WeakPolarHBondContact CA-O 3.49Å; I318-Y327 HydrophobicContact CG1-CD2 4.46Å; I318-Y327 PolarHBondContact N-O 3.2Å; I318-Y327 PolarHBondContact O-N 3.42Å; F320-Y327 HydrophobicContact CD2-CD2 4.23Å; F320-Y327 AromaticContact CD2-CE2 3.78Å; F320-Y327 HydrophobicContact CD2-CE2 3.78Å; F320-Y327 AromaticContact CE2-CD2 3.7Å; F320-Y327 HydrophobicContact CE2-CD2 3.7Å; F320-Y327 AromaticContact CE2-CE2 3.5Å; F320-Y327 HydrophobicContact CE2-CE2 3.5Å; F320-Y327 VanDerWaalsContact CE2-CE2 3.5Å; N325-Y327 HydrophobicContact CB-CE2 4.06Å; Y327-V329 PolarHBondContact O-N 3.4Å |
| 328 | Y | 92.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.6 | 175.9 | -70 | -89.2 | 0 | 0 | 0 | 110.6 | V276 L281 A306 C314 | V276-Y328 HydrophobicContact CB-CE1 4.44Å; V276-Y328 HydrophobicContact CG1-CE1 4.05Å; V276-Y328 HydrophobicContact CG2-CD1 4.17Å; V276-Y328 HydrophobicContact CG2-CE1 3.75Å; L281-Y328 WeakPolarHBondContact CD1-OH 3.2Å; A306-Y328 WeakPolarHBondContact CB-O 3.27Å; A306-Y328 PolarHBondContact N-O 2.85Å; C314-Y328 HydrophobicContact CB-CD1 4.45Å |
| 329 | V | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.4 | -177.8 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | L307 C314 H316 I318 Y327 C333 R334 | L307-V329 HydrophobicContact CD1-CB 4.44Å; L307-V329 HydrophobicContact CD1-CG1 3.59Å; L307-V329 HydrophobicContact CG-CG1 4.27Å; C314-V329 WeakPolarHBondContact CB-O 3.37Å; C314-V329 VanDerWaalsContact SG-C 3.57Å; H316-V329 HydrophobicContact CB-CG2 4.14Å; H316-V329 PolarHBondContact O-N 3.4Å; I318-V329 HydrophobicContact CD1-CG1 3.96Å; I318-V329 HydrophobicContact CG1-CG1 4.01Å; I318-V329 HydrophobicContact CG2-CG1 4.03Å; I318-V329 HydrophobicContact CG2-CG2 3.94Å; Y327-V329 PolarHBondContact O-N 3.4Å; V329-C333 HydrophobicContact CB-CB 4.25Å; V329-R334 HydrophobicContact CG2-CB 4.1Å |
| 330 | S | 93.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -64.8 | 158.2 | 174.2 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | C305 F332 C333 R334 | C305-S330 PolarHBondContact SG-N 3.37Å; S330-F332 PolarHBondContact O-N 3.39Å; S330-C333 PolarHBondContact O-N 2.99Å; S330-C333 VanDerWaalsContact O-N 3.1Å; S330-C333 PolarHBondContact OG-N 3.25Å; S330-C333 PolarHBondContact OG-SG 3.48Å; S330-C333 VanDerWaalsContact OG-SG 3.41Å; S330-R334 PolarHBondContact O-N 2.96Å | ||
| 331 | P | 93.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53 | -40.6 | 175.8 | -28.1 | 35.8 | 0 | 0 | 0 | 113 | T313 R334 Y335 Y382 | T313-P331 WeakPolarHBondContact O-CD 3.42Å; P331-R334 WeakPolarHBondContact O-CB 3.47Å; P331-R334 PolarHBondContact O-N 2.93Å; P331-Y335 PolarHBondContact O-N 2.8Å; P331-Y382 HydrophobicContact CB-CE2 3.9Å |
| 332 | F | 95.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 43 Ų | 43 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.9 | 175 | -124.2 | 0 | 0 | 0 | 113.2 | S330 R334 Y335 R336 A377 G380 Y382 | S330-F332 PolarHBondContact O-N 3.39Å; F332-R334 VanDerWaalsContact C-N 3.32Å; F332-R334 PolarHBondContact O-N 3.31Å; F332-Y335 WeakPolarHBondContact O-CB 3.24Å; F332-Y335 PolarHBondContact O-N 2.98Å; F332-R336 HydrophobicContact CD2-CG 4.48Å; F332-R336 HydrophobicContact CE2-CG 3.98Å; F332-R336 VanDerWaalsContact CZ-CD 3.44Å; F332-R336 HydrophobicContact CZ-CG 4.16Å; F332-R336 PolarHBondContact O-N 2.75Å; F332-R336 VanDerWaalsContact O-N 3.12Å; F332-A377 WeakPolarHBondContact CE2-O 3.27Å; F332-G380 VanDerWaalsContact CE2-CA 3.49Å; F332-Y382 HydrophobicContact CB-CD1 4.04Å; F332-Y382 HydrophobicContact CB-CE1 4.01Å; F332-Y382 HydrophobicContact CB-CE2 4.49Å; F332-Y382 HydrophobicContact CB-CG 4.31Å; F332-Y382 AromaticContact CD2-CD1 3.58Å; F332-Y382 HydrophobicContact CD2-CD1 3.58Å; F332-Y382 HydrophobicContact CD2-CE1 4.28Å; F332-Y382 AromaticContact CD2-CG 3.89Å; F332-Y382 HydrophobicContact CD2-CG 3.89Å; F332-Y382 HydrophobicContact CE2-CD1 4.47Å; F332-Y382 HydrophobicContact CG-CD1 4.19Å; F332-Y382 HydrophobicContact CG-CE1 4.47Å |
| 333 | C | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.4 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | F253 C305 L307 V329 S330 Y335 R336 I337 | F253-C333 HydrophobicContact CE1-CB 4.19Å; C305-C333 VanDerWaalsContact SG-SG 3.61Å; L307-C333 HydrophobicContact CB-CB 4.42Å; L307-C333 HydrophobicContact CD1-CB 3.88Å; V329-C333 HydrophobicContact CB-CB 4.25Å; S330-C333 PolarHBondContact O-N 2.99Å; S330-C333 VanDerWaalsContact O-N 3.1Å; S330-C333 PolarHBondContact OG-N 3.25Å; S330-C333 PolarHBondContact OG-SG 3.48Å; S330-C333 VanDerWaalsContact OG-SG 3.41Å; C333-Y335 VanDerWaalsContact C-N 3.34Å; C333-Y335 PolarHBondContact O-N 2.88Å; C333-R336 PolarHBondContact O-N 3.06Å; C333-I337 WeakPolarHBondContact O-CD1 3.35Å; C333-I337 VanDerWaalsContact O-CG1 3.26Å; C333-I337 WeakPolarHBondContact O-CG1 3.03Å; C333-I337 PolarHBondContact O-N 3.38Å; C333-I337 VanDerWaalsContact O-N 3.09Å |
| 334 | R | 95.5 | Very high | 94.5 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56 | -49.5 | 172.7 | 179.2 | -167.7 | 176 | -152.5 | 3.5 | 110.6 | V273 H316 V329 S330 P331 F332 R336 I337 T338 | V273-R334 HydrophobicContact CG1-CG 4.2Å; H316-R334 VanDerWaalsContact CD2-CZ 3.49Å; H316-R334 PolarHBondContact CD2-NE 3.13Å; H316-R334 PolarHBondContact CE1-NH1 3.49Å; H316-R334 VanDerWaalsContact CG-CD 3.48Å; H316-R334 PolarHBondContact NE2-NE 2.97Å; H316-R334 PolarHBondContact NE2-NH1 3.4Å; H316-R334 PolarHBondContact NE2-NH2 3.22Å; V329-R334 HydrophobicContact CG2-CB 4.1Å; S330-R334 PolarHBondContact O-N 2.96Å; P331-R334 WeakPolarHBondContact O-CB 3.47Å; P331-R334 PolarHBondContact O-N 2.93Å; F332-R334 VanDerWaalsContact C-N 3.32Å; F332-R334 PolarHBondContact O-N 3.31Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 3.03Å; R334-I337 WeakPolarHBondContact O-CB 3.34Å; R334-I337 PolarHBondContact O-N 2.9Å; R334-I337 VanDerWaalsContact O-N 3.15Å; R334-T338 HydrophobicContact CG-CG2 4.14Å; R334-T338 WeakPolarHBondContact O-CG2 3.32Å; R334-T338 PolarHBondContact O-N 3.38Å; R334-T338 PolarHBondContact O-OG1 3.49Å |
| 335 | Y | 96.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | -178.8 | -170 | -97.2 | 0 | 0 | 0 | 112.5 | P331 F332 C333 I337 T338 A339 E373 A377 Y382 K383 | P331-Y335 PolarHBondContact O-N 2.8Å; F332-Y335 WeakPolarHBondContact O-CB 3.24Å; F332-Y335 PolarHBondContact O-N 2.98Å; C333-Y335 VanDerWaalsContact C-N 3.34Å; C333-Y335 PolarHBondContact O-N 2.88Å; Y335-I337 VanDerWaalsContact C-N 3.35Å; Y335-I337 PolarHBondContact O-N 3.14Å; Y335-T338 WeakPolarHBondContact CA-OG1 3.47Å; Y335-T338 PolarHBondContact O-N 3Å; Y335-T338 PolarHBondContact O-OG1 3.41Å; Y335-A339 WeakPolarHBondContact O-CB 3.33Å; Y335-A339 PolarHBondContact O-N 2.93Å; Y335-E373 PolarHBondContact OH-OE2 3.46Å; Y335-A377 HydrophobicContact CD1-CB 3.73Å; Y335-A377 HydrophobicContact CE1-CB 3.9Å; Y335-Y382 VanDerWaalsContact CD1-CB 3.46Å; Y335-Y382 VanDerWaalsContact CG-CB 3.48Å; Y335-K383 HydrophobicContact CE2-CB 3.81Å; Y335-K383 HydrophobicContact CE2-CD 4.43Å; Y335-K383 HydrophobicContact CE2-CG 4.22Å |
| 336 | R | 97.8 | Very high | 96 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 175.7 | -73.1 | 177.7 | 70.7 | -171.5 | 4.1 | 112.1 | P249 C250 A252 F253 F332 C333 R334 V340 A377 | P249-R336 PolarHBondContact O-NH2 3.31Å; C250-R336 PolarHBondContact O-NE 3.48Å; C250-R336 PolarHBondContact O-NH2 3.47Å; C250-R336 PolarHBondContact SG-O 3.23Å; C250-R336 VanDerWaalsContact SG-O 3.35Å; A252-R336 PolarHBondContact O-NH1 3.02Å; A252-R336 PolarHBondContact O-NH2 2.97Å; F253-R336 HydrophobicContact CE1-CB 4.47Å; F253-R336 HydrophobicContact CZ-CB 4.26Å; F332-R336 HydrophobicContact CD2-CG 4.48Å; F332-R336 HydrophobicContact CE2-CG 3.98Å; F332-R336 VanDerWaalsContact CZ-CD 3.44Å; F332-R336 HydrophobicContact CZ-CG 4.16Å; F332-R336 PolarHBondContact O-N 2.75Å; F332-R336 VanDerWaalsContact O-N 3.12Å; C333-R336 PolarHBondContact O-N 3.06Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 3.03Å; R336-V340 WeakPolarHBondContact O-CG2 3.49Å; R336-V340 PolarHBondContact O-N 2.96Å; R336-A377 HydrophobicContact CG-CB 3.89Å |
| 337 | I | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -50.3 | 177.8 | -65.8 | 165.7 | 0 | 0 | 0 | 110.3 | L251 F253 I262 L271 V273 L307 I318 C333 R334 Y335 A339 V340 C341 | L251-I337 HydrophobicContact CD2-CG1 4.34Å; F253-I337 HydrophobicContact CZ-CG1 4.15Å; I262-I337 HydrophobicContact CD1-CD1 3.89Å; I262-I337 HydrophobicContact CD1-CG1 4.33Å; I262-I337 HydrophobicContact CG2-CG1 4.25Å; I262-I337 HydrophobicContact CG2-CG2 4.41Å; L271-I337 HydrophobicContact CD2-CG2 3.48Å; L271-I337 VanDerWaalsContact CD2-CG2 3.48Å; V273-I337 HydrophobicContact CG2-CG2 4.47Å; L307-I337 HydrophobicContact CD1-CD1 3.67Å; I318-I337 HydrophobicContact CD1-CD1 4.25Å; I318-I337 HydrophobicContact CG2-CD1 4.33Å; C333-I337 WeakPolarHBondContact O-CD1 3.35Å; C333-I337 VanDerWaalsContact O-CG1 3.26Å; C333-I337 WeakPolarHBondContact O-CG1 3.03Å; C333-I337 PolarHBondContact O-N 3.38Å; C333-I337 VanDerWaalsContact O-N 3.09Å; R334-I337 WeakPolarHBondContact O-CB 3.34Å; R334-I337 PolarHBondContact O-N 2.9Å; R334-I337 VanDerWaalsContact O-N 3.15Å; Y335-I337 VanDerWaalsContact C-N 3.35Å; Y335-I337 PolarHBondContact O-N 3.14Å; I337-A339 VanDerWaalsContact C-N 3.31Å; I337-A339 PolarHBondContact O-N 2.97Å; I337-V340 PolarHBondContact O-N 2.96Å; I337-V340 VanDerWaalsContact O-N 3.15Å; I337-C341 PolarHBondContact O-N 2.98Å; I337-C341 PolarHBondContact O-SG 2.78Å |
| 338 | T | 96.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 15% | 0.153 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -34.8 | -177.3 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | R334 Y335 V340 C341 N342 | R334-T338 HydrophobicContact CG-CG2 4.14Å; R334-T338 WeakPolarHBondContact O-CG2 3.32Å; R334-T338 PolarHBondContact O-N 3.38Å; R334-T338 PolarHBondContact O-OG1 3.49Å; Y335-T338 WeakPolarHBondContact CA-OG1 3.47Å; Y335-T338 PolarHBondContact O-N 3Å; Y335-T338 PolarHBondContact O-OG1 3.41Å; T338-V340 VanDerWaalsContact C-N 3.31Å; T338-V340 PolarHBondContact O-N 3.18Å; T338-C341 PolarHBondContact O-N 3.39Å; T338-N342 WeakPolarHBondContact O-CB 3.16Å; T338-N342 PolarHBondContact O-N 2.71Å; T338-N342 PolarHBondContact O-ND2 3.23Å; T338-N342 PolarHBondContact O-OD1 2.84Å |
| 339 | A | 98 | Very high | 96.7 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 5% | 0.05 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y335 I337 F343 M374 A377 | Y335-A339 WeakPolarHBondContact O-CB 3.33Å; Y335-A339 PolarHBondContact O-N 2.93Å; I337-A339 VanDerWaalsContact C-N 3.31Å; I337-A339 PolarHBondContact O-N 2.97Å; A339-F343 PolarHBondContact O-N 3.19Å; A339-M374 HydrophobicContact CB-CG 3.89Å; A339-A377 HydrophobicContact CB-CB 4.44Å |
| 340 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.5 | -44.7 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | I247 C250 L251 V266 R336 I337 T338 N342 F343 F344 M374 | I247-V340 HydrophobicContact CG1-CG1 4.31Å; I247-V340 HydrophobicContact CG2-CG1 3.84Å; C250-V340 HydrophobicContact CB-CG2 3.91Å; L251-V340 HydrophobicContact CD1-CG1 4.16Å; L251-V340 HydrophobicContact CD1-CG2 4.5Å; L251-V340 HydrophobicContact CD2-CB 4.48Å; L251-V340 HydrophobicContact CD2-CG2 4.06Å; L251-V340 HydrophobicContact CG-CG2 4.07Å; V266-V340 HydrophobicContact CG1-CG1 4.18Å; R336-V340 WeakPolarHBondContact O-CG2 3.49Å; R336-V340 PolarHBondContact O-N 2.96Å; I337-V340 PolarHBondContact O-N 2.96Å; I337-V340 VanDerWaalsContact O-N 3.15Å; T338-V340 VanDerWaalsContact C-N 3.31Å; T338-V340 PolarHBondContact O-N 3.18Å; V340-N342 VanDerWaalsContact C-N 3.31Å; V340-N342 PolarHBondContact O-N 3.46Å; V340-F343 WeakPolarHBondContact O-CB 3.06Å; V340-F343 PolarHBondContact O-N 3.11Å; V340-F344 HydrophobicContact CG1-CD2 3.79Å; V340-F344 HydrophobicContact CG1-CE2 3.71Å; V340-F344 WeakPolarHBondContact O-CD2 3.31Å; V340-F344 PolarHBondContact O-N 3.35Å; V340-M374 HydrophobicContact CB-SD 4.35Å; V340-M374 HydrophobicContact CG2-CG 4.28Å; V340-M374 HydrophobicContact CG2-SD 3.84Å |
| 341 | C | 97.9 | Very high | 97 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 11% | 0.108 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 176.2 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | I337 T338 F343 F344 T345 | I337-C341 PolarHBondContact O-N 2.98Å; I337-C341 PolarHBondContact O-SG 2.78Å; T338-C341 PolarHBondContact O-N 3.39Å; C341-F343 VanDerWaalsContact C-N 3.32Å; C341-F343 PolarHBondContact O-N 3.24Å; C341-F344 PolarHBondContact O-N 3.28Å; C341-T345 WeakPolarHBondContact O-CB 3.48Å; C341-T345 PolarHBondContact O-N 2.82Å; C341-T345 PolarHBondContact O-OG1 2.87Å |
| 342 | N | 97.5 | Very high | 97.1 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 27% | 0.273 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | 179.3 | -70.4 | -13 | 0 | 0 | 0 | 111.2 | T338 V340 T345 Y346 L370 | T338-N342 WeakPolarHBondContact O-CB 3.16Å; T338-N342 PolarHBondContact O-N 2.71Å; T338-N342 PolarHBondContact O-ND2 3.23Å; T338-N342 PolarHBondContact O-OD1 2.84Å; V340-N342 VanDerWaalsContact C-N 3.31Å; V340-N342 PolarHBondContact O-N 3.46Å; N342-T345 PolarHBondContact O-N 3.33Å; N342-Y346 PolarHBondContact O-N 3.3Å; N342-Y346 VanDerWaalsContact O-N 3.08Å; N342-L370 HydrophobicContact CB-CD2 3.77Å |
| 343 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.5 | -56.9 | 173.1 | 173.9 | -97.8 | 0 | 0 | 0 | 111.4 | F238 L239 V242 I247 A339 V340 C341 T345 Y346 I347 V367 L370 R371 M374 | F238-F343 HydrophobicContact CE1-CZ 4.47Å; F238-F343 HydrophobicContact CZ-CZ 4.5Å; L239-F343 HydrophobicContact CD2-CE1 3.94Å; L239-F343 HydrophobicContact CD2-CZ 3.86Å; V242-F343 HydrophobicContact CB-CZ 4.08Å; V242-F343 HydrophobicContact CG1-CD1 4.42Å; V242-F343 HydrophobicContact CG1-CD2 4.5Å; V242-F343 HydrophobicContact CG1-CE1 3.85Å; V242-F343 HydrophobicContact CG1-CE2 3.92Å; V242-F343 HydrophobicContact CG1-CZ 3.57Å; V242-F343 HydrophobicContact CG2-CE2 4.41Å; V242-F343 HydrophobicContact CG2-CZ 4.07Å; I247-F343 HydrophobicContact CD1-CD1 4.12Å; I247-F343 HydrophobicContact CD1-CE1 3.99Å; A339-F343 PolarHBondContact O-N 3.19Å; V340-F343 WeakPolarHBondContact O-CB 3.06Å; V340-F343 PolarHBondContact O-N 3.11Å; C341-F343 VanDerWaalsContact C-N 3.32Å; C341-F343 PolarHBondContact O-N 3.24Å; F343-T345 VanDerWaalsContact C-N 3.29Å; F343-T345 PolarHBondContact O-N 3.1Å; F343-Y346 PolarHBondContact O-N 3.41Å; F343-Y346 VanDerWaalsContact O-N 3.17Å; F343-I347 HydrophobicContact CD1-CG1 4.22Å; F343-I347 HydrophobicContact CD2-CG1 4.21Å; F343-I347 HydrophobicContact CE1-CG1 3.76Å; F343-I347 HydrophobicContact CE2-CD1 3.89Å; F343-I347 HydrophobicContact CE2-CG1 3.76Å; F343-I347 HydrophobicContact CG-CG1 4.42Å; F343-I347 HydrophobicContact CZ-CD1 3.92Å; F343-I347 HydrophobicContact CZ-CG1 3.5Å; F343-I347 VanDerWaalsContact CZ-CG1 3.5Å; F343-I347 WeakPolarHBondContact O-CG1 3.33Å; F343-I347 PolarHBondContact O-N 3.09Å; F343-V367 HydrophobicContact CE2-CG1 4.23Å; F343-L370 HydrophobicContact CB-CB 4.36Å; F343-L370 HydrophobicContact CD2-CB 4.2Å; F343-R371 HydrophobicContact CE2-CG 4.5Å; F343-M374 HydrophobicContact CB-CE 3.77Å; F343-M374 HydrophobicContact CB-SD 4.06Å; F343-M374 HydrophobicContact CD1-CE 4.21Å; F343-M374 HydrophobicContact CD2-CE 3.77Å; F343-M374 HydrophobicContact CE2-CE 4.45Å; F343-M374 HydrophobicContact CG-CE 3.63Å; F343-M374 HydrophobicContact CG-SD 4.38Å |
| 344 | F | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -37.9 | -179.8 | -83.8 | -78.8 | 0 | 0 | 0 | 113.2 | Y243 I247 V266 E267 V340 C341 Y346 I347 R348 | Y243-F344 AromaticContact CE1-CZ 3.83Å; Y243-F344 HydrophobicContact CE1-CZ 3.83Å; Y243-F344 HydrophobicContact CE2-CZ 4.42Å; Y243-F344 AromaticContact CZ-CZ 3.57Å; Y243-F344 WeakPolarHBondContact OH-CE1 3.3Å; Y243-F344 VanDerWaalsContact OH-CZ 3.23Å; Y243-F344 WeakPolarHBondContact OH-CZ 3.49Å; I247-F344 HydrophobicContact CD1-CE2 3.74Å; I247-F344 HydrophobicContact CD1-CZ 3.82Å; I247-F344 HydrophobicContact CG1-CE2 4.43Å; I247-F344 HydrophobicContact CG2-CE2 4.42Å; V266-F344 HydrophobicContact CG1-CB 4.22Å; V266-F344 HydrophobicContact CG1-CD2 3.4Å; V266-F344 HydrophobicContact CG1-CE2 3.93Å; V266-F344 HydrophobicContact CG1-CG 3.97Å; E267-F344 HydrophobicContact CG-CE1 4.12Å; E267-F344 HydrophobicContact CG-CZ 3.95Å; V340-F344 HydrophobicContact CG1-CD2 3.79Å; V340-F344 HydrophobicContact CG1-CE2 3.71Å; V340-F344 WeakPolarHBondContact O-CD2 3.31Å; V340-F344 PolarHBondContact O-N 3.35Å; C341-F344 PolarHBondContact O-N 3.28Å; F344-Y346 VanDerWaalsContact C-N 3.32Å; F344-Y346 PolarHBondContact O-N 2.83Å; F344-I347 PolarHBondContact O-N 3.45Å; F344-R348 WeakPolarHBondContact O-CB 3.44Å; F344-R348 VanDerWaalsContact O-CG 3.3Å; F344-R348 WeakPolarHBondContact O-CG 3.48Å; F344-R348 PolarHBondContact O-N 3.33Å |
| 345 | T | 97.4 | Very high | 96.5 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | C341 N342 F343 R348 Y349 | C341-T345 WeakPolarHBondContact O-CB 3.48Å; C341-T345 PolarHBondContact O-N 2.82Å; C341-T345 PolarHBondContact O-OG1 2.87Å; N342-T345 PolarHBondContact O-N 3.33Å; F343-T345 VanDerWaalsContact C-N 3.29Å; F343-T345 PolarHBondContact O-N 3.1Å; T345-R348 PolarHBondContact O-N 3.22Å; T345-Y349 HydrophobicContact CG2-CD2 4.46Å; T345-Y349 HydrophobicContact CG2-CE1 4.04Å; T345-Y349 HydrophobicContact CG2-CE2 3.79Å; T345-Y349 WeakPolarHBondContact O-CD1 3.44Å; T345-Y349 PolarHBondContact O-N 2.69Å |
| 346 | Y | 98.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 178.5 | -171.6 | -115.1 | 0 | 0 | 0 | 112.7 | N342 F343 F344 R348 Y349 I350 V355 Q358 M363 E366 V367 L370 | N342-Y346 PolarHBondContact O-N 3.3Å; N342-Y346 VanDerWaalsContact O-N 3.08Å; F343-Y346 PolarHBondContact O-N 3.41Å; F343-Y346 VanDerWaalsContact O-N 3.17Å; F344-Y346 VanDerWaalsContact C-N 3.32Å; F344-Y346 PolarHBondContact O-N 2.83Å; Y346-R348 VanDerWaalsContact C-N 3.29Å; Y346-R348 PolarHBondContact O-N 2.98Å; Y346-Y349 WeakPolarHBondContact O-CB 3.45Å; Y346-Y349 PolarHBondContact O-N 3.34Å; Y346-Y349 VanDerWaalsContact O-N 3.1Å; Y346-I350 HydrophobicContact CD1-CD1 3.98Å; Y346-I350 HydrophobicContact CE1-CD1 3.55Å; Y346-I350 HydrophobicContact CE1-CG1 4.3Å; Y346-I350 PolarHBondContact O-N 2.88Å; Y346-V355 HydrophobicContact CE2-CG2 4.24Å; Y346-Q358 PolarHBondContact OH-OE1 3.05Å; Y346-M363 WeakPolarHBondContact OH-CA 3.48Å; Y346-M363 WeakPolarHBondContact OH-CG 3.46Å; Y346-E366 HydrophobicContact CD1-CB 4.39Å; Y346-E366 HydrophobicContact CD1-CG 3.99Å; Y346-E366 HydrophobicContact CD2-CG 4.16Å; Y346-E366 HydrophobicContact CE1-CB 3.59Å; Y346-E366 HydrophobicContact CE1-CG 3.57Å; Y346-E366 HydrophobicContact CE2-CB 4.4Å; Y346-E366 HydrophobicContact CE2-CG 3.78Å; Y346-E366 HydrophobicContact CG-CG 4.26Å; Y346-E366 VanDerWaalsContact CZ-CG 3.46Å; Y346-V367 HydrophobicContact CD1-CG2 4.13Å; Y346-V367 HydrophobicContact CE1-CG2 3.95Å; Y346-L370 HydrophobicContact CD1-CD1 3.68Å; Y346-L370 HydrophobicContact CG-CD1 3.79Å |
| 347 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 175.3 | -65.4 | -49.3 | 0 | 0 | 0 | 111.3 | W226 L232 F238 L239 F343 F344 I350 H351 V367 | W226-I347 HydrophobicContact CH2-CD1 3.98Å; W226-I347 HydrophobicContact CH2-CG2 3.87Å; W226-I347 HydrophobicContact CZ2-CG2 3.63Å; W226-I347 HydrophobicContact CZ3-CD1 4.4Å; L232-I347 HydrophobicContact CD2-CG2 3.64Å; F238-I347 HydrophobicContact CE1-CD1 3.83Å; F238-I347 HydrophobicContact CZ-CD1 4.07Å; L239-I347 HydrophobicContact CD2-CG2 4.41Å; F343-I347 HydrophobicContact CD1-CG1 4.22Å; F343-I347 HydrophobicContact CD2-CG1 4.21Å; F343-I347 HydrophobicContact CE1-CG1 3.76Å; F343-I347 HydrophobicContact CE2-CD1 3.89Å; F343-I347 HydrophobicContact CE2-CG1 3.76Å; F343-I347 HydrophobicContact CG-CG1 4.42Å; F343-I347 HydrophobicContact CZ-CD1 3.92Å; F343-I347 HydrophobicContact CZ-CG1 3.5Å; F343-I347 VanDerWaalsContact CZ-CG1 3.5Å; F343-I347 WeakPolarHBondContact O-CG1 3.33Å; F343-I347 PolarHBondContact O-N 3.09Å; F344-I347 PolarHBondContact O-N 3.45Å; I347-I350 PolarHBondContact O-N 3.31Å; I347-H351 WeakPolarHBondContact O-CB 3.44Å; I347-H351 PolarHBondContact O-N 3.29Å; I347-V367 HydrophobicContact CD1-CG2 4.15Å |
| 348 | R | 97.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.1 | -75.4 | 179.7 | -170 | 116 | 12.6 | 112.5 | L232 V266 E267 N269 F344 T345 Y346 I350 H351 Q352 | L232-R348 HydrophobicContact CD1-CG 4.05Å; L232-R348 HydrophobicContact CD2-CG 4.21Å; V266-R348 PolarHBondContact O-NH2 3.3Å; E267-R348 VanDerWaalsContact C-NH2 3.29Å; E267-R348 PolarHBondContact O-NH2 2.67Å; N269-R348 PolarHBondContact OD1-NH1 2.67Å; N269-R348 VanDerWaalsContact OD1-NH1 3.09Å; F344-R348 WeakPolarHBondContact O-CB 3.44Å; F344-R348 VanDerWaalsContact O-CG 3.3Å; F344-R348 WeakPolarHBondContact O-CG 3.48Å; F344-R348 PolarHBondContact O-N 3.33Å; T345-R348 PolarHBondContact O-N 3.22Å; Y346-R348 VanDerWaalsContact C-N 3.29Å; Y346-R348 PolarHBondContact O-N 2.98Å; R348-I350 VanDerWaalsContact C-N 3.32Å; R348-I350 PolarHBondContact O-N 3.42Å; R348-H351 PolarHBondContact O-N 3.09Å; R348-Q352 WeakPolarHBondContact O-CB 3.4Å; R348-Q352 WeakPolarHBondContact O-CG 3.46Å; R348-Q352 PolarHBondContact O-N 3.48Å |
| 349 | Y | 96.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 176.9 | -66.6 | -13.8 | 0 | 0 | 0 | 112.2 | T345 Y346 G353 L354 | T345-Y349 HydrophobicContact CG2-CD2 4.46Å; T345-Y349 HydrophobicContact CG2-CE1 4.04Å; T345-Y349 HydrophobicContact CG2-CE2 3.79Å; T345-Y349 WeakPolarHBondContact O-CD1 3.44Å; T345-Y349 PolarHBondContact O-N 2.69Å; Y346-Y349 WeakPolarHBondContact O-CB 3.45Å; Y346-Y349 PolarHBondContact O-N 3.34Å; Y346-Y349 VanDerWaalsContact O-N 3.1Å; Y349-G353 PolarHBondContact O-N 2.92Å; Y349-L354 HydrophobicContact CD1-CD1 3.79Å; Y349-L354 HydrophobicContact CE1-CD1 4.34Å; Y349-L354 HydrophobicContact CG-CD1 4.4Å; Y349-L354 PolarHBondContact O-N 3.41Å |
| 350 | I | 96 | Very high | 94 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 172.8 | -63.9 | 172.6 | 0 | 0 | 0 | 110.2 | F223 W226 K227 Y346 I347 R348 Q352 G353 V355 M363 | F223-I350 HydrophobicContact CE2-CD1 4.3Å; F223-I350 HydrophobicContact CZ-CD1 4.37Å; W226-I350 HydrophobicContact CH2-CB 4.02Å; W226-I350 HydrophobicContact CH2-CD1 4.38Å; W226-I350 HydrophobicContact CH2-CG2 3.77Å; W226-I350 HydrophobicContact CZ3-CB 4.35Å; W226-I350 HydrophobicContact CZ3-CD1 4.17Å; W226-I350 HydrophobicContact CZ3-CG2 3.76Å; K227-I350 HydrophobicContact CG-CG2 4.35Å; Y346-I350 HydrophobicContact CD1-CD1 3.98Å; Y346-I350 HydrophobicContact CE1-CD1 3.55Å; Y346-I350 HydrophobicContact CE1-CG1 4.3Å; Y346-I350 PolarHBondContact O-N 2.88Å; I347-I350 PolarHBondContact O-N 3.31Å; R348-I350 VanDerWaalsContact C-N 3.32Å; R348-I350 PolarHBondContact O-N 3.42Å; I350-Q352 VanDerWaalsContact C-N 3.29Å; I350-Q352 PolarHBondContact O-N 2.9Å; I350-G353 PolarHBondContact O-N 3.44Å; I350-V355 HydrophobicContact CG1-CG2 4.14Å; I350-M363 HydrophobicContact CD1-SD 4.49Å; I350-M363 HydrophobicContact CG1-SD 4.37Å |
| 351 | H | 96.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 179.2 | 176.4 | -86.8 | 0 | 0 | 0 | 113.1 | P230 I347 R348 G353 | P230-H351 HydrophobicContact CB-CB 4.37Å; P230-H351 PolarHBondContact O-CD2 3.48Å; I347-H351 WeakPolarHBondContact O-CB 3.44Å; I347-H351 PolarHBondContact O-N 3.29Å; R348-H351 PolarHBondContact O-N 3.09Å; H351-G353 PolarHBondContact O-N 3.38Å |
| 352 | Q | 95.8 | Very high | 93.7 | Very high | 117 Ų | 117 | 63 Ų | 63 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.7 | 178 | -67.3 | 167.8 | 8.5 | 0 | 0 | 113.3 | R348 I350 L354 | R348-Q352 WeakPolarHBondContact O-CB 3.4Å; R348-Q352 WeakPolarHBondContact O-CG 3.46Å; R348-Q352 PolarHBondContact O-N 3.48Å; I350-Q352 VanDerWaalsContact C-N 3.29Å; I350-Q352 PolarHBondContact O-N 2.9Å; Q352-L354 VanDerWaalsContact C-N 3.3Å; Q352-L354 HydrophobicContact CB-CD1 4.18Å; Q352-L354 HydrophobicContact CB-CG 4.01Å; Q352-L354 PolarHBondContact O-N 3.47Å; Q352-L354 VanDerWaalsContact OE1-CD1 3.28Å |
| 353 | G | 92.8 | Very high | 93.7 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 25.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Y349 I350 H351 V355 K356 | Y349-G353 PolarHBondContact O-N 2.92Å; I350-G353 PolarHBondContact O-N 3.44Å; H351-G353 PolarHBondContact O-N 3.38Å; G353-V355 VanDerWaalsContact C-N 3.35Å; G353-K356 WeakPolarHBondContact O-CE 3.49Å; G353-K356 VanDerWaalsContact O-CG 3.29Å; G353-K356 WeakPolarHBondContact O-CG 3.32Å |
| 354 | L | 91.6 | Very high | 93.6 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 56% | 0.555 | 30% | 0.302 | S | S | * | . | trans | -78 | -20.9 | 178.2 | -66.1 | 174.3 | 0 | 0 | 0 | 112.5 | Y349 Q352 K356 | Y349-L354 HydrophobicContact CD1-CD1 3.79Å; Y349-L354 HydrophobicContact CE1-CD1 4.34Å; Y349-L354 HydrophobicContact CG-CD1 4.4Å; Y349-L354 PolarHBondContact O-N 3.41Å; Q352-L354 VanDerWaalsContact C-N 3.3Å; Q352-L354 HydrophobicContact CB-CD1 4.18Å; Q352-L354 HydrophobicContact CB-CG 4.01Å; Q352-L354 PolarHBondContact O-N 3.47Å; Q352-L354 VanDerWaalsContact OE1-CD1 3.28Å; L354-K356 PolarHBondContact O-N 3.32Å | ||
| 355 | V | 89.8 | Confident | 93.6 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | trans | -94 | 80 | -179.8 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | Y346 I350 G353 Q358 M363 | Y346-V355 HydrophobicContact CE2-CG2 4.24Å; I350-V355 HydrophobicContact CG1-CG2 4.14Å; G353-V355 VanDerWaalsContact C-N 3.35Å; V355-Q358 HydrophobicContact CG1-CB 3.95Å; V355-Q358 HydrophobicContact CG1-CG 4.04Å; V355-M363 HydrophobicContact CB-SD 4.35Å; V355-M363 HydrophobicContact CG1-CG 3.99Å; V355-M363 HydrophobicContact CG1-SD 3.92Å | ||
| 356 | K | 79.2 | Confident | 93.6 | Very high | 182 Ų | 182 | 62.8 Ų | 62.8 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | trans | -95.6 | -22.9 | -173.5 | -61.1 | -175.6 | -178.2 | 179.8 | 0 | 115.4 | G353 L354 | G353-K356 WeakPolarHBondContact O-CE 3.49Å; G353-K356 VanDerWaalsContact O-CG 3.29Å; G353-K356 WeakPolarHBondContact O-CG 3.32Å; L354-K356 PolarHBondContact O-N 3.32Å | ||
| 357 | Q | 81.3 | Confident | 93.6 | Very high | 181 Ų | 181 | 61.8 Ų | 61.8 | 85% | 0.846 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -97.1 | -8.8 | -172.3 | -70.5 | 179.6 | -12.4 | 0 | 0 | 114.3 | ||
| 358 | Q | 87 | Confident | 93.6 | Very high | 70 Ų | 70 | 63.3 Ų | 63.3 | 33% | 0.327 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -93.2 | 143.5 | 179.7 | -66.4 | -177.9 | -7.3 | 0 | 0 | 110.5 | Y346 V355 Q362 M363 | Y346-Q358 PolarHBondContact OH-OE1 3.05Å; V355-Q358 HydrophobicContact CG1-CB 3.95Å; V355-Q358 HydrophobicContact CG1-CG 4.04Å; Q358-Q362 HydrophobicContact CB-CB 4.18Å; Q358-M363 HydrophobicContact CB-CG 3.86Å; Q358-M363 VanDerWaalsContact O-CE 3.23Å; Q358-M363 WeakPolarHBondContact O-CE 3.47Å |
| 359 | D | 92.1 | Very high | 93.7 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | trans | -76 | 167.9 | 168.3 | 68.4 | 54 | 0 | 0 | 0 | 111.3 | E361 Q362 M363 | D359-E361 PolarHBondContact O-N 3.43Å; D359-E361 WeakPolarHBondContact OD1-CA 3.44Å; D359-E361 WeakPolarHBondContact OD1-CB 3.47Å; D359-E361 PolarHBondContact OD1-N 2.89Å; D359-Q362 PolarHBondContact O-N 3.41Å; D359-Q362 WeakPolarHBondContact OD1-CG 3.29Å; D359-Q362 PolarHBondContact OD1-N 3.24Å; D359-Q362 VanDerWaalsContact OD2-CD 3.28Å; D359-Q362 WeakPolarHBondContact OD2-CG 3.31Å; D359-Q362 PolarHBondContact OD2-NE2 3.27Å; D359-M363 WeakPolarHBondContact O-CE 3.41Å; D359-M363 PolarHBondContact O-N 3.45Å; D359-M363 VanDerWaalsContact O-N 3.09Å | ||
| 360 | A | 93.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -30.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F223 K227 F364 | F223-A360 WeakPolarHBondContact CE1-O 3.33Å; K227-A360 HydrophobicContact CD-CB 4.39Å; A360-F364 VanDerWaalsContact O-CB 3.32Å; A360-F364 WeakPolarHBondContact O-CB 3.41Å; A360-F364 PolarHBondContact O-N 2.86Å |
| 361 | E | 95.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.7 | -41.3 | 179.7 | -168.2 | -180 | 150.4 | 0 | 0 | 111.2 | V215 F220 D359 M363 F364 W365 | V215-E361 HydrophobicContact CG2-CG 4.4Å; F220-E361 HydrophobicContact CE2-CB 4.39Å; F220-E361 HydrophobicContact CZ-CB 4.05Å; F220-E361 HydrophobicContact CZ-CG 4.28Å; D359-E361 PolarHBondContact O-N 3.43Å; D359-E361 WeakPolarHBondContact OD1-CA 3.44Å; D359-E361 WeakPolarHBondContact OD1-CB 3.47Å; D359-E361 PolarHBondContact OD1-N 2.89Å; E361-M363 PolarHBondContact O-N 2.9Å; E361-F364 WeakPolarHBondContact O-CB 3.29Å; E361-F364 PolarHBondContact O-N 3.36Å; E361-W365 VanDerWaalsContact O-CD1 3.23Å; E361-W365 PolarHBondContact O-N 2.98Å; E361-W365 PolarHBondContact OE1-NE1 2.84Å |
| 362 | Q | 95.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 173.5 | -70.2 | 174.1 | 17.5 | 0 | 0 | 111.4 | Q358 D359 F364 W365 E366 | Q358-Q362 HydrophobicContact CB-CB 4.18Å; D359-Q362 PolarHBondContact O-N 3.41Å; D359-Q362 WeakPolarHBondContact OD1-CG 3.29Å; D359-Q362 PolarHBondContact OD1-N 3.24Å; D359-Q362 VanDerWaalsContact OD2-CD 3.28Å; D359-Q362 WeakPolarHBondContact OD2-CG 3.31Å; D359-Q362 PolarHBondContact OD2-NE2 3.27Å; Q362-F364 VanDerWaalsContact C-N 3.31Å; Q362-F364 PolarHBondContact O-N 3.24Å; Q362-W365 PolarHBondContact O-N 3.06Å; Q362-E366 PolarHBondContact O-N 3.36Å |
| 363 | M | 96.7 | Very high | 94 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.9 | -70.7 | -177.4 | -93.4 | 0 | 0 | 111.8 | F223 K227 Y346 I350 V355 Q358 D359 E361 W365 E366 V367 | F223-M363 HydrophobicContact CE1-CB 4.12Å; F223-M363 HydrophobicContact CZ-CB 3.72Å; K227-M363 HydrophobicContact CD-CE 4.11Å; Y346-M363 WeakPolarHBondContact OH-CA 3.48Å; Y346-M363 WeakPolarHBondContact OH-CG 3.46Å; I350-M363 HydrophobicContact CD1-SD 4.49Å; I350-M363 HydrophobicContact CG1-SD 4.37Å; V355-M363 HydrophobicContact CB-SD 4.35Å; V355-M363 HydrophobicContact CG1-CG 3.99Å; V355-M363 HydrophobicContact CG1-SD 3.92Å; Q358-M363 HydrophobicContact CB-CG 3.86Å; Q358-M363 VanDerWaalsContact O-CE 3.23Å; Q358-M363 WeakPolarHBondContact O-CE 3.47Å; D359-M363 WeakPolarHBondContact O-CE 3.41Å; D359-M363 PolarHBondContact O-N 3.45Å; D359-M363 VanDerWaalsContact O-N 3.09Å; E361-M363 PolarHBondContact O-N 2.9Å; M363-W365 PolarHBondContact O-N 3.08Å; M363-E366 WeakPolarHBondContact O-CB 3.38Å; M363-E366 PolarHBondContact O-N 3.44Å; M363-V367 WeakPolarHBondContact O-CG2 3.43Å; M363-V367 PolarHBondContact O-N 2.97Å |
| 364 | F | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.3 | 173 | -102.4 | 0 | 0 | 0 | 112 | V215 L219 F220 F223 A360 E361 Q362 E366 V367 M368 | V215-F364 HydrophobicContact CB-CE1 4.47Å; V215-F364 HydrophobicContact CG1-CD1 4.31Å; V215-F364 HydrophobicContact CG1-CE1 3.81Å; V215-F364 HydrophobicContact CG1-CZ 4.37Å; V215-F364 HydrophobicContact CG2-CE1 4.44Å; L219-F364 HydrophobicContact CB-CE2 3.93Å; L219-F364 HydrophobicContact CB-CZ 4.04Å; F220-F364 HydrophobicContact CB-CD2 4.33Å; F220-F364 HydrophobicContact CB-CE1 4.37Å; F220-F364 HydrophobicContact CB-CE2 4Å; F220-F364 HydrophobicContact CB-CZ 4.02Å; F220-F364 HydrophobicContact CD2-CB 3.7Å; F220-F364 AromaticContact CD2-CD1 3.84Å; F220-F364 HydrophobicContact CD2-CD1 3.84Å; F220-F364 AromaticContact CD2-CD2 3.69Å; F220-F364 HydrophobicContact CD2-CD2 3.69Å; F220-F364 HydrophobicContact CD2-CE1 4.38Å; F220-F364 HydrophobicContact CD2-CE2 4.22Å; F220-F364 AromaticContact CD2-CG 3.45Å; F220-F364 HydrophobicContact CD2-CG 3.45Å; F220-F364 VanDerWaalsContact CD2-CG 3.45Å; F220-F364 HydrophobicContact CE2-CB 3.71Å; F220-F364 HydrophobicContact CE2-CD1 4.34Å; F220-F364 AromaticContact CE2-CG 3.97Å; F220-F364 HydrophobicContact CE2-CG 3.97Å; F220-F364 HydrophobicContact CG-CD2 4.49Å; F220-F364 HydrophobicContact CG-CG 4.43Å; F223-F364 HydrophobicContact CB-CD2 3.83Å; F223-F364 HydrophobicContact CB-CE2 4.37Å; F223-F364 HydrophobicContact CD1-CB 3.74Å; F223-F364 AromaticContact CD1-CD2 3.98Å; F223-F364 HydrophobicContact CD1-CD2 3.98Å; F223-F364 HydrophobicContact CD1-CG 4.34Å; F223-F364 HydrophobicContact CE1-CB 3.89Å; F223-F364 HydrophobicContact CG-CB 4.42Å; F223-F364 AromaticContact CG-CD2 3.94Å; F223-F364 HydrophobicContact CG-CD2 3.94Å; A360-F364 VanDerWaalsContact O-CB 3.32Å; A360-F364 WeakPolarHBondContact O-CB 3.41Å; A360-F364 PolarHBondContact O-N 2.86Å; E361-F364 WeakPolarHBondContact O-CB 3.29Å; E361-F364 PolarHBondContact O-N 3.36Å; Q362-F364 VanDerWaalsContact C-N 3.31Å; Q362-F364 PolarHBondContact O-N 3.24Å; F364-E366 VanDerWaalsContact C-N 3.28Å; F364-E366 PolarHBondContact O-N 3.42Å; F364-V367 WeakPolarHBondContact O-CB 3.45Å; F364-V367 PolarHBondContact O-N 3.49Å; F364-V367 VanDerWaalsContact O-N 3.16Å; F364-M368 HydrophobicContact CD1-CG 4.09Å; F364-M368 HydrophobicContact CD2-CE 4.04Å; F364-M368 HydrophobicContact CD2-CG 4.4Å; F364-M368 HydrophobicContact CE1-CG 3.62Å; F364-M368 HydrophobicContact CE1-SD 4.36Å; F364-M368 HydrophobicContact CE2-CE 3.48Å; F364-M368 VanDerWaalsContact CE2-CE 3.48Å; F364-M368 HydrophobicContact CE2-CG 4Å; F364-M368 HydrophobicContact CE2-SD 3.98Å; F364-M368 HydrophobicContact CG-CG 4.46Å; F364-M368 HydrophobicContact CZ-CE 3.9Å; F364-M368 HydrophobicContact CZ-CG 3.59Å; F364-M368 HydrophobicContact CZ-SD 3.73Å; F364-M368 WeakPolarHBondContact O-CG 3.49Å; F364-M368 PolarHBondContact O-N 3.46Å |
| 365 | W | 97.3 | Very high | 94.6 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -33.1 | 177.5 | -81 | 120.1 | 0 | 0 | 0 | 112.9 | R213 E214 V215 E361 Q362 M363 M368 Q369 | R213-W365 HydrophobicContact CB-CH2 3.57Å; R213-W365 HydrophobicContact CB-CZ2 4.09Å; R213-W365 HydrophobicContact CB-CZ3 3.98Å; E214-W365 WeakPolarHBondContact O-CH2 3.49Å; V215-W365 HydrophobicContact CB-CZ2 4.45Å; V215-W365 HydrophobicContact CG2-CH2 4.48Å; V215-W365 HydrophobicContact CG2-CZ2 3.51Å; E361-W365 VanDerWaalsContact O-CD1 3.23Å; E361-W365 PolarHBondContact O-N 2.98Å; E361-W365 PolarHBondContact OE1-NE1 2.84Å; Q362-W365 PolarHBondContact O-N 3.06Å; M363-W365 PolarHBondContact O-N 3.08Å; W365-M368 HydrophobicContact CE3-CB 4.08Å; W365-M368 HydrophobicContact CE3-CG 4.36Å; W365-M368 HydrophobicContact CZ3-CB 4.4Å; W365-M368 PolarHBondContact O-N 3.07Å; W365-Q369 VanDerWaalsContact O-CB 3.31Å; W365-Q369 WeakPolarHBondContact O-CB 3.43Å; W365-Q369 PolarHBondContact O-N 3.16Å |
| 366 | E | 97.7 | Very high | 95 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 171.8 | -165.6 | 62 | -146.2 | 0 | 0 | 111.5 | R21 Y346 Q362 M363 F364 M368 Q369 L370 | R21-E366 IonicContact CZ-OE1 3.1Å; R21-E366 IonicContact CZ-OE2 2.89Å; R21-E366 IonicContact NH1-OE1 3.83Å; R21-E366 PolarHBondContact NH1-OE1 3.2Å; R21-E366 IonicContact NH1-OE2 3.23Å; R21-E366 PolarHBondContact NH1-OE2 2.99Å; R21-E366 IonicContact NH2-OE2 3.27Å; R21-E366 PolarHBondContact NH2-OE2 2.81Å; Y346-E366 HydrophobicContact CD1-CB 4.39Å; Y346-E366 HydrophobicContact CD1-CG 3.99Å; Y346-E366 HydrophobicContact CD2-CG 4.16Å; Y346-E366 HydrophobicContact CE1-CB 3.59Å; Y346-E366 HydrophobicContact CE1-CG 3.57Å; Y346-E366 HydrophobicContact CE2-CB 4.4Å; Y346-E366 HydrophobicContact CE2-CG 3.78Å; Y346-E366 HydrophobicContact CG-CG 4.26Å; Y346-E366 VanDerWaalsContact CZ-CG 3.46Å; Q362-E366 PolarHBondContact O-N 3.36Å; M363-E366 WeakPolarHBondContact O-CB 3.38Å; M363-E366 PolarHBondContact O-N 3.44Å; F364-E366 VanDerWaalsContact C-N 3.28Å; F364-E366 PolarHBondContact O-N 3.42Å; E366-M368 PolarHBondContact O-N 3.01Å; E366-Q369 WeakPolarHBondContact O-CB 3.41Å; E366-Q369 PolarHBondContact O-N 3.16Å; E366-L370 HydrophobicContact CG-CD1 4.3Å; E366-L370 WeakPolarHBondContact O-CG 3.46Å; E366-L370 PolarHBondContact O-N 2.81Å |
| 367 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 172.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | F223 F238 F343 Y346 I347 M363 F364 Q369 L370 R371 | F223-V367 HydrophobicContact CD2-CG2 4.22Å; F223-V367 HydrophobicContact CE2-CG2 3.76Å; F223-V367 HydrophobicContact CZ-CG2 4.49Å; F238-V367 HydrophobicContact CE2-CG1 4.02Å; F238-V367 HydrophobicContact CZ-CG1 3.73Å; F343-V367 HydrophobicContact CE2-CG1 4.23Å; Y346-V367 HydrophobicContact CD1-CG2 4.13Å; Y346-V367 HydrophobicContact CE1-CG2 3.95Å; I347-V367 HydrophobicContact CD1-CG2 4.15Å; M363-V367 WeakPolarHBondContact O-CG2 3.43Å; M363-V367 PolarHBondContact O-N 2.97Å; F364-V367 WeakPolarHBondContact O-CB 3.45Å; F364-V367 PolarHBondContact O-N 3.49Å; F364-V367 VanDerWaalsContact O-N 3.16Å; V367-Q369 VanDerWaalsContact C-N 3.28Å; V367-Q369 PolarHBondContact O-N 3.02Å; V367-L370 PolarHBondContact O-N 2.96Å; V367-R371 HydrophobicContact CG1-CG 4.4Å; V367-R371 WeakPolarHBondContact O-CG 3.35Å; V367-R371 PolarHBondContact O-N 3.26Å |
| 368 | M | 98.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 16% | 0.163 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 177.8 | -68.2 | -56.2 | 105.3 | 0 | 0 | 112 | L219 F364 W365 E366 R372 | L219-M368 HydrophobicContact CD1-CE 4.49Å; L219-M368 HydrophobicContact CD1-SD 4.01Å; F364-M368 HydrophobicContact CD1-CG 4.09Å; F364-M368 HydrophobicContact CD2-CE 4.04Å; F364-M368 HydrophobicContact CD2-CG 4.4Å; F364-M368 HydrophobicContact CE1-CG 3.62Å; F364-M368 HydrophobicContact CE1-SD 4.36Å; F364-M368 HydrophobicContact CE2-CE 3.48Å; F364-M368 VanDerWaalsContact CE2-CE 3.48Å; F364-M368 HydrophobicContact CE2-CG 4Å; F364-M368 HydrophobicContact CE2-SD 3.98Å; F364-M368 HydrophobicContact CG-CG 4.46Å; F364-M368 HydrophobicContact CZ-CE 3.9Å; F364-M368 HydrophobicContact CZ-CG 3.59Å; F364-M368 HydrophobicContact CZ-SD 3.73Å; F364-M368 WeakPolarHBondContact O-CG 3.49Å; F364-M368 PolarHBondContact O-N 3.46Å; W365-M368 HydrophobicContact CE3-CB 4.08Å; W365-M368 HydrophobicContact CE3-CG 4.36Å; W365-M368 HydrophobicContact CZ3-CB 4.4Å; W365-M368 PolarHBondContact O-N 3.07Å; E366-M368 PolarHBondContact O-N 3.01Å; M368-R372 WeakPolarHBondContact O-CB 3.45Å; M368-R372 PolarHBondContact O-N 3.21Å |
| 369 | Q | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 173.8 | -179.5 | 64.3 | 40.8 | 0 | 0 | 111.3 | W365 E366 V367 R372 E373 | W365-Q369 VanDerWaalsContact O-CB 3.31Å; W365-Q369 WeakPolarHBondContact O-CB 3.43Å; W365-Q369 PolarHBondContact O-N 3.16Å; E366-Q369 WeakPolarHBondContact O-CB 3.41Å; E366-Q369 PolarHBondContact O-N 3.16Å; V367-Q369 VanDerWaalsContact C-N 3.28Å; V367-Q369 PolarHBondContact O-N 3.02Å; Q369-R372 WeakPolarHBondContact O-CB 3.49Å; Q369-R372 PolarHBondContact O-N 3.44Å; Q369-E373 PolarHBondContact NE2-OE1 3.34Å; Q369-E373 WeakPolarHBondContact O-CG 3.45Å; Q369-E373 PolarHBondContact O-N 2.96Å |
| 370 | L | 98.6 | Very high | 97.2 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 179.1 | -68.2 | 161.9 | 0 | 0 | 0 | 111.8 | N342 F343 Y346 E366 V367 R372 E373 M374 | N342-L370 HydrophobicContact CB-CD2 3.77Å; F343-L370 HydrophobicContact CB-CB 4.36Å; F343-L370 HydrophobicContact CD2-CB 4.2Å; Y346-L370 HydrophobicContact CD1-CD1 3.68Å; Y346-L370 HydrophobicContact CG-CD1 3.79Å; E366-L370 HydrophobicContact CG-CD1 4.3Å; E366-L370 WeakPolarHBondContact O-CG 3.46Å; E366-L370 PolarHBondContact O-N 2.81Å; V367-L370 PolarHBondContact O-N 2.96Å; L370-R372 VanDerWaalsContact C-N 3.33Å; L370-R372 PolarHBondContact O-N 2.95Å; L370-E373 PolarHBondContact O-N 2.92Å; L370-M374 PolarHBondContact O-N 2.87Å; L370-M374 VanDerWaalsContact O-N 3.09Å |
| 371 | R | 98.6 | Very high | 97.3 | Very high | 24 Ų | 24 | 48 Ų | 48 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 172.4 | -70.2 | -171.5 | 70.9 | -168.3 | -0 | 112.2 | V242 E245 D246 F343 V367 M374 S375 | V242-R371 HydrophobicContact CG1-CG 4.35Å; V242-R371 HydrophobicContact CG2-CG 4.48Å; E245-R371 IonicContact OE2-CZ 3.62Å; E245-R371 IonicContact OE2-NH2 2.81Å; E245-R371 PolarHBondContact OE2-NH2 3.15Å; D246-R371 IonicContact OD2-CZ 3.93Å; D246-R371 VanDerWaalsContact OD2-CZ 3.28Å; D246-R371 IonicContact OD2-NE 2.8Å; D246-R371 PolarHBondContact OD2-NE 2.87Å; D246-R371 IonicContact OD2-NH2 3.09Å; D246-R371 PolarHBondContact OD2-NH2 3Å; F343-R371 HydrophobicContact CE2-CG 4.5Å; V367-R371 HydrophobicContact CG1-CG 4.4Å; V367-R371 WeakPolarHBondContact O-CG 3.35Å; V367-R371 PolarHBondContact O-N 3.26Å; R371-M374 HydrophobicContact CG-CE 4.22Å; R371-M374 PolarHBondContact O-N 3.27Å; R371-S375 WeakPolarHBondContact O-CB 3.32Å; R371-S375 PolarHBondContact O-N 3.24Å; R371-S375 PolarHBondContact O-OG 3.25Å |
| 372 | R | 97.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.2 | -171 | 172.3 | 79.4 | -118.3 | 7.8 | 111.7 | M368 Q369 L370 S375 Y376 | M368-R372 WeakPolarHBondContact O-CB 3.45Å; M368-R372 PolarHBondContact O-N 3.21Å; Q369-R372 WeakPolarHBondContact O-CB 3.49Å; Q369-R372 PolarHBondContact O-N 3.44Å; L370-R372 VanDerWaalsContact C-N 3.33Å; L370-R372 PolarHBondContact O-N 2.95Å; R372-S375 WeakPolarHBondContact O-CB 3.42Å; R372-S375 PolarHBondContact O-N 3.16Å; R372-Y376 HydrophobicContact CG-CE1 4.35Å; R372-Y376 HydrophobicContact CG-CE2 4.27Å; R372-Y376 PolarHBondContact O-N 3.36Å |
| 373 | E | 97.7 | Very high | 96.9 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.1 | -65.7 | -63 | 156.2 | 0 | 0 | 111.8 | Y335 Q369 L370 S375 Y376 A377 K383 | Y335-E373 PolarHBondContact OH-OE2 3.46Å; Q369-E373 PolarHBondContact NE2-OE1 3.34Å; Q369-E373 WeakPolarHBondContact O-CG 3.45Å; Q369-E373 PolarHBondContact O-N 2.96Å; L370-E373 PolarHBondContact O-N 2.92Å; E373-S375 VanDerWaalsContact C-N 3.35Å; E373-Y376 PolarHBondContact O-N 3.33Å; E373-A377 VanDerWaalsContact O-CB 3.32Å; E373-A377 WeakPolarHBondContact O-CB 3.36Å; E373-A377 PolarHBondContact O-N 2.99Å; E373-K383 IonicContact OE1-NZ 2.67Å; E373-K383 PolarHBondContact OE1-NZ 2.94Å; E373-K383 IonicContact OE2-NZ 2.97Å; E373-K383 PolarHBondContact OE2-NZ 3.3Å |
| 374 | M | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 172.1 | -69 | -170.8 | -71.2 | 0 | 0 | 112.3 | V242 D246 I247 A339 V340 F343 L370 R371 Y376 A377 K378 | V242-M374 HydrophobicContact CG1-CE 3.81Å; D246-M374 HydrophobicContact CB-CB 4.01Å; D246-M374 HydrophobicContact CB-CE 3.87Å; D246-M374 HydrophobicContact CB-SD 4.24Å; I247-M374 HydrophobicContact CG1-CE 4.46Å; I247-M374 HydrophobicContact CG1-SD 3.96Å; A339-M374 HydrophobicContact CB-CG 3.89Å; V340-M374 HydrophobicContact CB-SD 4.35Å; V340-M374 HydrophobicContact CG2-CG 4.28Å; V340-M374 HydrophobicContact CG2-SD 3.84Å; F343-M374 HydrophobicContact CB-CE 3.77Å; F343-M374 HydrophobicContact CB-SD 4.06Å; F343-M374 HydrophobicContact CD1-CE 4.21Å; F343-M374 HydrophobicContact CD2-CE 3.77Å; F343-M374 HydrophobicContact CE2-CE 4.45Å; F343-M374 HydrophobicContact CG-CE 3.63Å; F343-M374 HydrophobicContact CG-SD 4.38Å; L370-M374 PolarHBondContact O-N 2.87Å; L370-M374 VanDerWaalsContact O-N 3.09Å; R371-M374 HydrophobicContact CG-CE 4.22Å; R371-M374 PolarHBondContact O-N 3.27Å; M374-Y376 VanDerWaalsContact C-N 3.34Å; M374-Y376 PolarHBondContact O-N 3.49Å; M374-A377 PolarHBondContact O-N 2.89Å; M374-K378 PolarHBondContact O-N 3.01Å |
| 375 | S | 98.1 | Very high | 94.3 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -33.1 | 177.6 | -83.8 | 0 | 0 | 0 | 0 | 113.4 | D246 R371 R372 E373 K378 L379 | D246-S375 PolarHBondContact OD1-OG 3.24Å; R371-S375 WeakPolarHBondContact O-CB 3.32Å; R371-S375 PolarHBondContact O-N 3.24Å; R371-S375 PolarHBondContact O-OG 3.25Å; R372-S375 WeakPolarHBondContact O-CB 3.42Å; R372-S375 PolarHBondContact O-N 3.16Å; E373-S375 VanDerWaalsContact C-N 3.35Å; S375-K378 WeakPolarHBondContact O-CG 3.35Å; S375-K378 PolarHBondContact OG-NZ 3.01Å; S375-L379 WeakPolarHBondContact O-CG 3.43Å |
| 376 | Y | 97.2 | Very high | 91.7 | Very high | 112 Ų | 112 | 66.2 Ų | 66.2 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72 | -44.6 | 170.1 | -76.4 | -4.1 | 0 | 0 | 0 | 111.4 | R372 E373 M374 K378 L379 G380 Y381 | R372-Y376 HydrophobicContact CG-CE1 4.35Å; R372-Y376 HydrophobicContact CG-CE2 4.27Å; R372-Y376 PolarHBondContact O-N 3.36Å; E373-Y376 PolarHBondContact O-N 3.33Å; M374-Y376 VanDerWaalsContact C-N 3.34Å; M374-Y376 PolarHBondContact O-N 3.49Å; Y376-K378 PolarHBondContact O-N 3.16Å; Y376-L379 PolarHBondContact O-N 3Å; Y376-L379 VanDerWaalsContact O-N 3.12Å; Y376-G380 PolarHBondContact O-N 3.44Å; Y376-Y381 CarbonylContact C-O 3.58Å; Y376-Y381 PolarHBondContact O-N 3.28Å |
| 377 | A | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F332 Y335 R336 A339 E373 M374 L379 G380 Y381 | F332-A377 WeakPolarHBondContact CE2-O 3.27Å; Y335-A377 HydrophobicContact CD1-CB 3.73Å; Y335-A377 HydrophobicContact CE1-CB 3.9Å; R336-A377 HydrophobicContact CG-CB 3.89Å; A339-A377 HydrophobicContact CB-CB 4.44Å; E373-A377 VanDerWaalsContact O-CB 3.32Å; E373-A377 WeakPolarHBondContact O-CB 3.36Å; E373-A377 PolarHBondContact O-N 2.99Å; M374-A377 PolarHBondContact O-N 2.89Å; A377-L379 PolarHBondContact O-N 3.09Å; A377-G380 PolarHBondContact O-N 3.01Å; A377-Y381 WeakPolarHBondContact CA-O 3.44Å; A377-Y381 PolarHBondContact N-O 3.32Å |
| 378 | K | 96.8 | Very high | 91 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 27% | 0.274 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -26.3 | 177.2 | 74.9 | -170.5 | 177.3 | -159.7 | 0 | 113 | E245 D246 P249 C250 M374 S375 Y376 | E245-K378 PolarHBondContact O-NZ 3.42Å; D246-K378 IonicContact OD1-NZ 2.77Å; D246-K378 PolarHBondContact OD1-NZ 3.45Å; P249-K378 HydrophobicContact CB-CB 3.94Å; P249-K378 HydrophobicContact CB-CD 3.9Å; P249-K378 HydrophobicContact CB-CG 4.41Å; C250-K378 HydrophobicContact CB-CB 4.4Å; M374-K378 PolarHBondContact O-N 3.01Å; S375-K378 WeakPolarHBondContact O-CG 3.35Å; S375-K378 PolarHBondContact OG-NZ 3.01Å; Y376-K378 PolarHBondContact O-N 3.16Å |
| 379 | L | 97.6 | Very high | 90.6 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 63% | 0.628 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.4 | 178.9 | -63.1 | 177.3 | 0 | 0 | 0 | 113.6 | S375 Y376 A377 Y381 | S375-L379 WeakPolarHBondContact O-CG 3.43Å; Y376-L379 PolarHBondContact O-N 3Å; Y376-L379 VanDerWaalsContact O-N 3.12Å; A377-L379 PolarHBondContact O-N 3.09Å; L379-Y381 HydrophobicContact CB-CD2 3.81Å; L379-Y381 HydrophobicContact CB-CE2 3.9Å; L379-Y381 HydrophobicContact CD1-CE2 4.45Å |
| 380 | G | 95.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 76.9 Ų | 76.9 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -3.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | F332 Y376 A377 | F332-G380 VanDerWaalsContact CE2-CA 3.49Å; Y376-G380 PolarHBondContact O-N 3.44Å; A377-G380 PolarHBondContact O-N 3.01Å |
| 381 | Y | 96.5 | Very high | 89.7 | Confident | 155 Ų | 155 | 80.7 Ų | 80.7 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | trans | -83.2 | 122.9 | 177.3 | -57.8 | -76.8 | 0 | 0 | 0 | 109.9 | Y376 A377 L379 | Y376-Y381 CarbonylContact C-O 3.58Å; Y376-Y381 PolarHBondContact O-N 3.28Å; A377-Y381 WeakPolarHBondContact CA-O 3.44Å; A377-Y381 PolarHBondContact N-O 3.32Å; L379-Y381 HydrophobicContact CB-CD2 3.81Å; L379-Y381 HydrophobicContact CB-CE2 3.9Å; L379-Y381 HydrophobicContact CD1-CE2 4.45Å | ||
| 382 | Y | 93.8 | Very high | 89.1 | Confident | 103 Ų | 103 | 84.5 Ų | 84.5 | 40% | 0.404 | 40% | 0.401 | S | S | . | . | trans | -143 | 155.4 | 178.9 | 75.8 | -78 | 0 | 0 | 0 | 111.7 | P331 F332 Y335 D384 | P331-Y382 HydrophobicContact CB-CE2 3.9Å; F332-Y382 HydrophobicContact CB-CD1 4.04Å; F332-Y382 HydrophobicContact CB-CE1 4.01Å; F332-Y382 HydrophobicContact CB-CE2 4.49Å; F332-Y382 HydrophobicContact CB-CG 4.31Å; F332-Y382 AromaticContact CD2-CD1 3.58Å; F332-Y382 HydrophobicContact CD2-CD1 3.58Å; F332-Y382 HydrophobicContact CD2-CE1 4.28Å; F332-Y382 AromaticContact CD2-CG 3.89Å; F332-Y382 HydrophobicContact CD2-CG 3.89Å; F332-Y382 HydrophobicContact CE2-CD1 4.47Å; F332-Y382 HydrophobicContact CG-CD1 4.19Å; F332-Y382 HydrophobicContact CG-CE1 4.47Å; Y335-Y382 VanDerWaalsContact CD1-CB 3.46Å; Y335-Y382 VanDerWaalsContact CG-CB 3.48Å; Y382-D384 HydrophobicContact CD2-CB 4.38Å; Y382-D384 HydrophobicContact CE2-CB 3.84Å | ||
| 383 | K | 88.3 | Confident | 88.5 | Confident | 124 Ų | 124 | 85.2 Ų | 85.2 | 54% | 0.539 | 41% | 0.41 | S | S | . | . | trans | -100.5 | 129.5 | 173.8 | -59.8 | 165.4 | -175.4 | 153.3 | 0 | 108.1 | Y335 E373 | Y335-K383 HydrophobicContact CE2-CB 3.81Å; Y335-K383 HydrophobicContact CE2-CD 4.43Å; Y335-K383 HydrophobicContact CE2-CG 4.22Å; E373-K383 IonicContact OE1-NZ 2.67Å; E373-K383 PolarHBondContact OE1-NZ 2.94Å; E373-K383 IonicContact OE2-NZ 2.97Å; E373-K383 PolarHBondContact OE2-NZ 3.3Å | ||
| 384 | D | 79 | Confident | 87.7 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 40% | 0.396 | 43% | 0.431 | S | S | . | . | trans | -112 | 105.5 | 172.8 | -156 | 8.1 | 0 | 0 | 0 | 107.8 | Y382 | Y382-D384 HydrophobicContact CD2-CB 4.38Å; Y382-D384 HydrophobicContact CE2-CB 3.84Å | ||
| 385 | Q | 60.1 | Low | 86.9 | Confident | 155 Ų | 155 | 97 Ų | 97 | 72% | 0.724 | 47% | 0.467 | S | S | * | . | trans | -85.5 | 112.5 | 168.2 | -73.6 | 177.9 | -4.2 | 0 | 0 | 106.5 | ||||
| 386 | L | 42.6 | Very low | 85.8 | Confident | 190 Ų | 190 | 102.9 Ų | 102.9 | 100% | 0.995 | 49% | 0.489 | S | S | * | . | trans | -64.5 | 0 | -169.1 | -89.9 | 169.4 | 0 | 0 | 0 | 114.3 | K315 | K315-L386 PolarHBondContact NZ-OXT 2.77Š|
Retrieved 386 of 386 residues in 371.3 ms
(Link to these results)