| 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 | 45.6 | Very low | 42.3 | Very low | 246 Ų | 246 | 166.3 Ų | 166.3 | 100% | 1.212 | 86% | 0.855 | S | S | * | * | 0 | 106.7 | 0 | -78.2 | 116.5 | 143.1 | 0 | 0 | 109 | |||||
| 2 | N | 38 | Very low | 42.8 | Very low | 152 Ų | 152 | 168.1 Ų | 168.1 | 81% | 0.813 | 86% | 0.856 | S | S | * | * | trans | -66.9 | 139.4 | 164.3 | -77.2 | -39.1 | 0 | 0 | 0 | 108.9 | ||||
| 3 | L | 38 | Very low | 42.1 | Very low | 166 Ų | 166 | 163.1 Ų | 163.1 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | trans | 176.7 | 107.7 | 136.5 | -97 | 139.8 | 0 | 0 | 0 | 110.2 | K5 | L3-K5 PolarHBondContact O-N 3.43Š| ||
| 4 | L | 38.2 | Very low | 41.4 | Very low | 146 Ų | 146 | 159.4 Ų | 159.4 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | trans | -35.3 | 121.9 | 159.4 | -76.8 | 60.8 | 0 | 0 | 0 | 111.4 | ||||
| 5 | K | 48 | Very low | 41.3 | Very low | 213 Ų | 213 | 161.5 Ų | 161.5 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | trans | -102 | 71.8 | 152 | -75.4 | -164.8 | -180 | -179 | 0 | 108.6 | L3 | L3-K5 PolarHBondContact O-N 3.43Š| ||
| 6 | F | 39.6 | Very low | 40.9 | Very low | 207 Ų | 207 | 164.3 Ų | 164.3 | 91% | 0.908 | 84% | 0.837 | S | S | * | * | trans | -89.3 | 106 | 154.9 | -115.6 | -94.4 | 0 | 0 | 0 | 105.8 | ||||
| 7 | G | 39.4 | Very low | 41 | Very low | 67 Ų | 67 | 162.5 Ų | 162.5 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -157.1 | 100.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 8 | R | 47 | Very low | 40.9 | Very low | 243 Ų | 243 | 157.3 Ų | 157.3 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | 82.7 | 97.7 | 149 | -63.7 | -172.5 | 179 | 165.4 | -0.4 | 119.7 | ||||
| 9 | I | 43.7 | Very low | 41 | Very low | 160 Ų | 160 | 158.2 Ų | 158.2 | 82% | 0.821 | 82% | 0.82 | S | S | * | * | trans | -41.9 | 131.5 | 135.8 | -117.5 | 79.9 | 0 | 0 | 0 | 111.7 | ||||
| 10 | V | 48.8 | Very low | 40.8 | Very low | 129 Ų | 129 | 156 Ų | 156 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | trans | -158.6 | 90.9 | 151.5 | 179.4 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 11 | S | 39.1 | Very low | 41 | Very low | 100 Ų | 100 | 156 Ų | 156 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | 41 | 86.8 | 82.1 | -156.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 12 | H | 48.7 | Very low | 40.7 | Very low | 188 Ų | 188 | 150 Ų | 150 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -143.8 | 112.3 | 145 | -147.4 | 87.3 | 0 | 0 | 0 | 109.8 | ||||
| 13 | C | 32.7 | Very low | 40.7 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | trans | -74.4 | 163.2 | 169.7 | -77.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | S | 32.4 | Very low | 40.8 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 68.2 | 119.4 | 157.9 | -74.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 15 | F | 40.6 | Very low | 40.8 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | -175.8 | 128.3 | 91.2 | -168.9 | -117.1 | 0 | 0 | 0 | 111.4 | |||||
| 16 | Y | 34.3 | Very low | 40.7 | Very low | 206 Ų | 206 | 150.6 Ų | 150.6 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -67.7 | 131.4 | 169.5 | -134.2 | -109.2 | 0 | 0 | 0 | 109.6 | ||||
| 17 | N | 42.2 | Very low | 40.4 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 165.5 | 129.4 | 130.8 | -96.5 | -48.5 | 0 | 0 | 0 | 113.7 | ||||
| 18 | G | 39.2 | Very low | 40.5 | Very low | 68 Ų | 68 | 147.3 Ų | 147.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | 66 | 89.9 | 129 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 19 | F | 43.6 | Very low | 40.2 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -122.3 | 70.1 | 153.6 | -118.5 | -67.9 | 0 | 0 | 0 | 110.5 | K21 | F19-K21 VanDerWaalsContact C-N 3.3Å; F19-K21 HydrophobicContact CD1-CB 4.36Å; F19-K21 HydrophobicContact CD1-CD 3.63Å; F19-K21 HydrophobicContact CD1-CG 3.53Å; F19-K21 HydrophobicContact CE1-CD 3.78Å; F19-K21 HydrophobicContact CE1-CG 3.66Å; F19-K21 PolarHBondContact O-N 3.13Å; F19-K21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | S | 36.7 | Very low | 39.8 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -67 | 90.5 | 153.7 | 168.8 | 0 | 0 | 0 | 0 | 107.7 | P22 | S20-P22 WeakPolarHBondContact O-CD 3.45Š| ||
| 21 | K | 44.7 | Very low | 39.1 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 68% | 0.683 | 78% | 0.776 | S | S | * | * | trans | -88.9 | 114.5 | 170 | -104.7 | 161.7 | -168.2 | -163.8 | 0 | 108.5 | F19 Y23 | F19-K21 VanDerWaalsContact C-N 3.3Å; F19-K21 HydrophobicContact CD1-CB 4.36Å; F19-K21 HydrophobicContact CD1-CD 3.63Å; F19-K21 HydrophobicContact CD1-CG 3.53Å; F19-K21 HydrophobicContact CE1-CD 3.78Å; F19-K21 HydrophobicContact CE1-CG 3.66Å; F19-K21 PolarHBondContact O-N 3.13Å; F19-K21 VanDerWaalsContact O-N 3.11Å; K21-Y23 PolarHBondContact O-N 3.44Å | ||
| 22 | P | 40.3 | Very low | 39 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -69.8 | 110.5 | 175.3 | 27.7 | -32.1 | 0 | 0 | 0 | 109.5 | S20 T24 | S20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-T24 PolarHBondContact O-N 2.93Å | ||
| 23 | Y | 38 | Very low | 38.7 | Very low | 235 Ų | 235 | 138.8 Ų | 138.8 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | -92.1 | 83.4 | 174.9 | -151.4 | -94.9 | 0 | 0 | 0 | 107.8 | K21 | K21-Y23 PolarHBondContact O-N 3.44Š| ||
| 24 | T | 38.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | trans | -144.2 | 121.5 | 175 | -64.1 | 0 | 0 | 0 | 0 | 109.1 | P22 | P22-T24 PolarHBondContact O-N 2.93Š| ||
| 25 | Q | 39.2 | Very low | 40.1 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 113.3 | 168.1 | -70.1 | -176.2 | 50.5 | 0 | 0 | 119 | ||||
| 26 | M | 45.1 | Very low | 40.2 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | 148.5 | 86.4 | 129.2 | -75.8 | -178.3 | -161.5 | 0 | 0 | 106.7 | |||||
| 27 | A | 35 | Very low | 41 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | 56.6 | 128.4 | 84.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 28 | T | 39.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 78.6 | 83.8 | 165.9 | 75.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 29 | N | 40.7 | Very low | 42.4 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -152.8 | 72 | 138.2 | -80.3 | -46.5 | 0 | 0 | 0 | 106.3 | G31 | N29-G31 PolarHBondContact O-N 3.27Š| ||
| 30 | L | 35.4 | Very low | 42.7 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | 27.2 | 79.5 | 107.6 | -95.5 | 79.4 | 0 | 0 | 0 | 113.2 | |||||
| 31 | G | 35 | Very low | 43.4 | Very low | 63 Ų | 63 | 136.9 Ų | 136.9 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -150.7 | 59.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N29 D33 | N29-G31 PolarHBondContact O-N 3.27Å; G31-D33 PolarHBondContact O-N 3.22Å; G31-D33 VanDerWaalsContact O-N 3.13Å | ||
| 32 | A | 36.6 | Very low | 43.5 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 26.9 | 73.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K34 | A32-K34 PolarHBondContact O-N 3.44Š| ||
| 33 | D | 42 | Very low | 44.4 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -52.9 | 104.4 | 157.4 | -76.2 | -66.3 | 0 | 0 | 0 | 107.7 | G31 D35 | G31-D33 PolarHBondContact O-N 3.22Å; G31-D33 VanDerWaalsContact O-N 3.13Å; D33-D35 PolarHBondContact O-N 3.33Å | ||
| 34 | K | 49.2 | Very low | 45.6 | Very low | 190 Ų | 190 | 127.9 Ų | 127.9 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -62.2 | 94.2 | 158.6 | -72.1 | 179.8 | 175.9 | 173.4 | 0 | 106.1 | A32 L36 | A32-K34 PolarHBondContact O-N 3.44Å; K34-L36 PolarHBondContact O-N 3.26Å | ||
| 35 | D | 45.2 | Very low | 47.1 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 34.3 | 75.9 | 148.9 | -55.9 | -57.5 | 0 | 0 | 0 | 113.7 | D33 V37 | D33-D35 PolarHBondContact O-N 3.33Å; D35-V37 HydrophobicContact CB-CG2 4.41Å; D35-V37 PolarHBondContact O-N 3.28Å | ||
| 36 | L | 42.9 | Very low | 49 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 68 | 158.2 | -65.7 | 174 | 0 | 0 | 0 | 108.2 | K34 P38 | K34-L36 PolarHBondContact O-N 3.26Å; L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 2.89Å | ||
| 37 | V | 51.8 | Low | 50.8 | Low | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | trans | -68.9 | 113.7 | 161 | 179.3 | 0 | 0 | 0 | 0 | 104.4 | D35 | D35-V37 HydrophobicContact CB-CG2 4.41Å; D35-V37 PolarHBondContact O-N 3.28Å | ||
| 38 | P | 57.3 | Low | 53.3 | Low | 98 Ų | 98 | 130 Ų | 130 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -53.7 | 142.7 | 176.7 | 24.1 | -33 | 0 | 0 | 0 | 107.5 | L36 S40 | L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 2.89Å; P38-S40 PolarHBondContact O-N 2.9Å | ||
| 39 | P | 53.2 | Low | 55.8 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -52.5 | 112.7 | 175.2 | 23.6 | -31.9 | 0 | 0 | 0 | 106.1 | L41 | P39-L41 PolarHBondContact O-N 2.89Š| ||
| 40 | S | 49.6 | Very low | 58.3 | Low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | -59.2 | 96.4 | 161.6 | 65.7 | 0 | 0 | 0 | 0 | 102.8 | P38 S42 | P38-S40 PolarHBondContact O-N 2.9Å; S40-S42 WeakPolarHBondContact O-CA 3.05Å; S40-S42 PolarHBondContact O-N 3.27Å; S40-S42 PolarHBondContact O-OG 2.88Å | ||
| 41 | L | 50.7 | Low | 61 | Low | 160 Ų | 160 | 124.7 Ų | 124.7 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -57 | 101.3 | 173 | -79.2 | 167.2 | 0 | 0 | 0 | 103 | P39 A43 | P39-L41 PolarHBondContact O-N 2.89Å; L41-A43 PolarHBondContact O-N 2.95Å; L41-A43 VanDerWaalsContact O-N 3.12Å | ||
| 42 | S | 48 | Very low | 63.8 | Low | 88 Ų | 88 | 124.5 Ų | 124.5 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | trans | -53.1 | 126.7 | -164.2 | -59.1 | 0 | 0 | 0 | 0 | 105.3 | S40 D44 | S40-S42 WeakPolarHBondContact O-CA 3.05Å; S40-S42 PolarHBondContact O-N 3.27Å; S40-S42 PolarHBondContact O-OG 2.88Å; S42-D44 PolarHBondContact O-N 3.34Å | ||
| 43 | A | 58.2 | Low | 66.5 | Low | 81 Ų | 81 | 124.3 Ų | 124.3 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | -48.6 | 94.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | L41 N45 | L41-A43 PolarHBondContact O-N 2.95Å; L41-A43 VanDerWaalsContact O-N 3.12Å; A43-N45 PolarHBondContact O-N 2.98Å | ||
| 44 | D | 63.2 | Low | 69 | Low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -62.9 | 92 | 164.1 | -75.4 | -36.6 | 0 | 0 | 0 | 102.3 | S42 K46 | S42-D44 PolarHBondContact O-N 3.34Å; D44-K46 PolarHBondContact O-N 3.12Å | ||
| 45 | N | 70.5 | Confident | 71.1 | Confident | 150 Ų | 150 | 118 Ų | 118 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | trans | -67 | 69.5 | 169.5 | -90.3 | -73.3 | 0 | 0 | 0 | 105.8 | A43 E47 | A43-N45 PolarHBondContact O-N 2.98Å; N45-E47 PolarHBondContact O-N 2.99Å | ||
| 46 | K | 79 | Confident | 73.4 | Confident | 142 Ų | 142 | 115.2 Ų | 115.2 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | trans | -65.8 | 96.9 | 160.9 | -176 | 171.3 | -177.2 | 177.7 | 0 | 104.2 | D44 Y48 | D44-K46 PolarHBondContact O-N 3.12Å; K46-Y48 HydrophobicContact CB-CE2 4.28Å; K46-Y48 HydrophobicContact CD-CE1 3.89Å; K46-Y48 HydrophobicContact CG-CE1 4.06Å; K46-Y48 WeakPolarHBondContact O-CD2 3.49Å; K46-Y48 WeakPolarHBondContact O-CE2 3.32Å; K46-Y48 PolarHBondContact O-N 3.41Å; K46-Y48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | E | 84.2 | Confident | 75.9 | Confident | 183 Ų | 183 | 112.9 Ų | 112.9 | 86% | 0.855 | 61% | 0.609 | S | S | * | * | trans | -62.6 | 115 | 176.6 | -171.8 | 166.7 | 175 | 0 | 0 | 107.8 | N45 | N45-E47 PolarHBondContact O-N 2.99Š| ||
| 48 | Y | 86.6 | Confident | 77.9 | Confident | 114 Ų | 114 | 116 Ų | 116 | 45% | 0.447 | 61% | 0.609 | S | S | . | * | trans | -88.5 | 144.6 | 178.4 | -64.7 | -78.8 | 0 | 0 | 0 | 109.1 | K46 I52 H53 | K46-Y48 HydrophobicContact CB-CE2 4.28Å; K46-Y48 HydrophobicContact CD-CE1 3.89Å; K46-Y48 HydrophobicContact CG-CE1 4.06Å; K46-Y48 WeakPolarHBondContact O-CD2 3.49Å; K46-Y48 WeakPolarHBondContact O-CE2 3.32Å; K46-Y48 PolarHBondContact O-N 3.41Å; K46-Y48 VanDerWaalsContact O-N 3.09Å; Y48-I52 HydrophobicContact CD1-CG2 4.19Å; Y48-I52 HydrophobicContact CG-CG2 4.12Å; Y48-H53 PolarHBondContact O-CD2 3.16Å; Y48-H53 PolarHBondContact O-NE2 2.87Å | ||
| 49 | P | 92.7 | Very high | 79.6 | Confident | 66 Ų | 66 | 114.9 Ų | 114.9 | 43% | 0.429 | 60% | 0.597 | S | S | . | * | trans | -63.9 | 156 | 176 | 27.3 | -34.4 | 0 | 0 | 0 | 111 | H51 I52 | P49-H51 WeakPolarHBondContact CG-CE1 3.31Å; P49-H51 PolarHBondContact O-N 2.64Å; P49-I52 HydrophobicContact CG-CG1 3.84Å; P49-I52 PolarHBondContact O-N 3.42Å | ||
| 50 | K | 93.1 | Very high | 81.4 | Confident | 176 Ų | 176 | 114.1 Ų | 114.1 | 77% | 0.765 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -47.6 | -41.2 | -175.2 | -65.4 | -176.1 | 177.8 | -177.2 | 0 | 114.1 | I52 H53 E54 | K50-I52 VanDerWaalsContact C-N 3.27Å; K50-I52 PolarHBondContact O-N 3.41Å; K50-H53 PolarHBondContact O-N 2.74Å; K50-E54 WeakPolarHBondContact O-CG 3.38Å; K50-E54 PolarHBondContact O-N 3.3Å |
| 51 | H | 92.8 | Very high | 83.5 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 49% | 0.486 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.8 | -30.3 | -179.1 | 67.5 | -97.4 | 0 | 0 | 0 | 113.5 | P49 I55 | P49-H51 WeakPolarHBondContact CG-CE1 3.31Å; P49-H51 PolarHBondContact O-N 2.64Å; H51-I55 WeakPolarHBondContact O-CD1 3.47Å; H51-I55 VanDerWaalsContact O-CG1 3.24Å; H51-I55 WeakPolarHBondContact O-CG1 3.25Å; H51-I55 PolarHBondContact O-N 2.98Å; H51-I55 VanDerWaalsContact O-N 3.08Å |
| 52 | I | 93.1 | Very high | 85.6 | Confident | 58 Ų | 58 | 109 Ų | 109 | 30% | 0.297 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.6 | -43.5 | 177.2 | -60.9 | -63.6 | 0 | 0 | 0 | 110.1 | Y48 P49 K50 E54 I55 V56 | Y48-I52 HydrophobicContact CD1-CG2 4.19Å; Y48-I52 HydrophobicContact CG-CG2 4.12Å; P49-I52 HydrophobicContact CG-CG1 3.84Å; P49-I52 PolarHBondContact O-N 3.42Å; K50-I52 VanDerWaalsContact C-N 3.27Å; K50-I52 PolarHBondContact O-N 3.41Å; I52-E54 VanDerWaalsContact C-N 3.28Å; I52-E54 PolarHBondContact O-N 3.46Å; I52-I55 PolarHBondContact O-N 3.32Å; I52-V56 HydrophobicContact CG2-CG2 4.42Å; I52-V56 WeakPolarHBondContact O-CG2 3.37Å; I52-V56 PolarHBondContact O-N 3.48Å |
| 53 | H | 92.8 | Very high | 87.8 | Confident | 94 Ų | 94 | 108.7 Ų | 108.7 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.9 | -39.9 | 174.4 | -73.1 | -72.4 | 0 | 0 | 0 | 111.8 | Y48 K50 V56 N57 | Y48-H53 PolarHBondContact O-CD2 3.16Å; Y48-H53 PolarHBondContact O-NE2 2.87Å; K50-H53 PolarHBondContact O-N 2.74Å; H53-V56 PolarHBondContact O-N 3.05Å; H53-N57 WeakPolarHBondContact O-CB 3.42Å; H53-N57 PolarHBondContact O-N 2.96Å; H53-N57 PolarHBondContact O-ND2 3.33Å |
| 54 | E | 95.1 | Very high | 89.4 | Confident | 111 Ų | 111 | 112.4 Ų | 112.4 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -42.9 | 174.2 | -71.6 | 171 | -159.7 | 0 | 0 | 112.5 | K50 I52 N57 R58 | K50-E54 WeakPolarHBondContact O-CG 3.38Å; K50-E54 PolarHBondContact O-N 3.3Å; I52-E54 VanDerWaalsContact C-N 3.28Å; I52-E54 PolarHBondContact O-N 3.46Å; E54-N57 PolarHBondContact O-N 3.07Å; E54-R58 WeakPolarHBondContact O-CB 3.44Å; E54-R58 VanDerWaalsContact O-CG 3.32Å; E54-R58 WeakPolarHBondContact O-CG 3.38Å; E54-R58 PolarHBondContact O-N 3.31Å |
| 55 | I | 94.2 | Very high | 90.9 | Very high | 85 Ų | 85 | 111.8 Ų | 111.8 | 44% | 0.436 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -45.9 | 176.2 | -69.5 | 163.5 | 0 | 0 | 0 | 110.5 | H51 I52 N57 R58 I59 | H51-I55 WeakPolarHBondContact O-CD1 3.47Å; H51-I55 VanDerWaalsContact O-CG1 3.24Å; H51-I55 WeakPolarHBondContact O-CG1 3.25Å; H51-I55 PolarHBondContact O-N 2.98Å; H51-I55 VanDerWaalsContact O-N 3.08Å; I52-I55 PolarHBondContact O-N 3.32Å; I55-N57 PolarHBondContact O-N 2.96Å; I55-R58 PolarHBondContact O-N 3.41Å; I55-I59 HydrophobicContact CG2-CD1 3.61Å; I55-I59 HydrophobicContact CG2-CG1 4.31Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.24Å; I55-I59 PolarHBondContact O-N 3.35Å |
| 56 | V | 93.1 | Very high | 92 | Very high | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | I52 H53 R58 I59 S60 | I52-V56 HydrophobicContact CG2-CG2 4.42Å; I52-V56 WeakPolarHBondContact O-CG2 3.37Å; I52-V56 PolarHBondContact O-N 3.48Å; H53-V56 PolarHBondContact O-N 3.05Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 3.32Å; V56-I59 PolarHBondContact O-N 3.05Å; V56-S60 WeakPolarHBondContact O-CB 3.24Å; V56-S60 PolarHBondContact O-N 2.86Å; V56-S60 PolarHBondContact O-OG 3.02Å |
| 57 | N | 94.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 104.9 Ų | 104.9 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 177.9 | -70.4 | -18.6 | 0 | 0 | 0 | 111.4 | H53 E54 I55 S60 S61 | H53-N57 WeakPolarHBondContact O-CB 3.42Å; H53-N57 PolarHBondContact O-N 2.96Å; H53-N57 PolarHBondContact O-ND2 3.33Å; E54-N57 PolarHBondContact O-N 3.07Å; I55-N57 PolarHBondContact O-N 2.96Å; N57-S60 WeakPolarHBondContact CA-OG 3.25Å; N57-S60 PolarHBondContact O-N 2.9Å; N57-S60 PolarHBondContact O-OG 3.08Å; N57-S61 PolarHBondContact O-N 2.91Å; N57-S61 PolarHBondContact O-OG 3.4Å |
| 58 | R | 94.7 | Very high | 93.2 | Very high | 181 Ų | 181 | 98.9 Ų | 98.9 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -50.2 | 175.8 | -74.6 | 176.8 | -177.1 | -119.2 | 2.7 | 111.3 | E54 I55 V56 S60 S61 L62 | E54-R58 WeakPolarHBondContact O-CB 3.44Å; E54-R58 VanDerWaalsContact O-CG 3.32Å; E54-R58 WeakPolarHBondContact O-CG 3.38Å; E54-R58 PolarHBondContact O-N 3.31Å; I55-R58 PolarHBondContact O-N 3.41Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 3.32Å; R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 3.16Å; R58-S61 PolarHBondContact O-N 3.49Å; R58-S61 VanDerWaalsContact O-N 3.1Å; R58-S61 PolarHBondContact O-OG 3.12Å; R58-L62 WeakPolarHBondContact O-CG 2.87Å; R58-L62 PolarHBondContact O-N 3.14Å |
| 59 | I | 92.9 | Very high | 93.5 | Very high | 75 Ų | 75 | 98 Ų | 98 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 178.6 | -67 | 168.9 | 0 | 0 | 0 | 111.1 | I55 V56 S61 L62 L70 | I55-I59 HydrophobicContact CG2-CD1 3.61Å; I55-I59 HydrophobicContact CG2-CG1 4.31Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.24Å; I55-I59 PolarHBondContact O-N 3.35Å; V56-I59 PolarHBondContact O-N 3.05Å; I59-S61 PolarHBondContact O-N 3.15Å; I59-L62 PolarHBondContact O-N 3.42Å; I59-L62 VanDerWaalsContact O-N 3.17Å; I59-L70 HydrophobicContact CG1-CD1 4.31Å |
| 60 | S | 89.9 | Confident | 93.6 | Very high | 92 Ų | 92 | 97.7 Ų | 97.7 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -21.9 | 179.6 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | V56 N57 R58 | V56-S60 WeakPolarHBondContact O-CB 3.24Å; V56-S60 PolarHBondContact O-N 2.86Å; V56-S60 PolarHBondContact O-OG 3.02Å; N57-S60 WeakPolarHBondContact CA-OG 3.25Å; N57-S60 PolarHBondContact O-N 2.9Å; N57-S60 PolarHBondContact O-OG 3.08Å; R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 3.16Å |
| 61 | S | 94.6 | Very high | 93.5 | Very high | 91 Ų | 91 | 91.9 Ų | 91.9 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -89.1 | -11.3 | 177.6 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | N57 R58 I59 | N57-S61 PolarHBondContact O-N 2.91Å; N57-S61 PolarHBondContact O-OG 3.4Å; R58-S61 PolarHBondContact O-N 3.49Å; R58-S61 VanDerWaalsContact O-N 3.1Å; R58-S61 PolarHBondContact O-OG 3.12Å; I59-S61 PolarHBondContact O-N 3.15Å |
| 62 | L | 94.1 | Very high | 93.4 | Very high | 60 Ų | 60 | 91.3 Ų | 91.3 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -78.7 | 149.7 | -179.2 | -66.7 | 175.9 | 0 | 0 | 0 | 111.7 | R58 I59 E66 V67 L70 | R58-L62 WeakPolarHBondContact O-CG 2.87Å; R58-L62 PolarHBondContact O-N 3.14Å; I59-L62 PolarHBondContact O-N 3.42Å; I59-L62 VanDerWaalsContact O-N 3.17Å; L62-E66 HydrophobicContact CB-CB 4.2Å; L62-E66 HydrophobicContact CD2-CB 4.1Å; L62-V67 HydrophobicContact CB-CG2 3.84Å; L62-V67 HydrophobicContact CD1-CG2 4.5Å; L62-L70 HydrophobicContact CD1-CD1 3.68Å |
| 63 | T | 94.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 93.3 Ų | 93.3 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | trans | -77.2 | 160.5 | 170.3 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | L65 E66 V67 | T63-L65 PolarHBondContact O-N 2.87Å; T63-E66 WeakPolarHBondContact CB-OE2 3.47Å; T63-E66 PolarHBondContact N-OE2 3.33Å; T63-E66 PolarHBondContact O-N 3.35Å; T63-E66 VanDerWaalsContact O-N 3.13Å; T63-E66 WeakPolarHBondContact OG1-CG 3.27Å; T63-E66 PolarHBondContact OG1-OE2 3.14Å; T63-V67 WeakPolarHBondContact O-CG2 3.42Å; T63-V67 PolarHBondContact O-N 2.9Å | ||
| 64 | L | 92.5 | Very high | 93.2 | Very high | 159 Ų | 159 | 93.2 Ų | 93.2 | 83% | 0.832 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -32 | -179.1 | -66.8 | 177.4 | 0 | 0 | 0 | 113.5 | A68 | L64-A68 PolarHBondContact O-N 3.47Å |
| 65 | L | 94 | Very high | 92.7 | Very high | 141 Ų | 141 | 91 Ų | 91 | 74% | 0.738 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.5 | -46.1 | 176.6 | -65.2 | 177.9 | 0 | 0 | 0 | 111.2 | T63 V67 A68 D69 | T63-L65 PolarHBondContact O-N 2.87Å; L65-V67 VanDerWaalsContact C-N 3.27Å; L65-V67 PolarHBondContact O-N 3.25Å; L65-A68 WeakPolarHBondContact O-CB 2.95Å; L65-A68 PolarHBondContact O-N 2.7Å; L65-A68 VanDerWaalsContact O-N 3.08Å; L65-D69 PolarHBondContact O-N 2.85Å; L65-D69 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 94.5 | Very high | 92.4 | Very high | 90 Ų | 90 | 93.4 Ų | 93.4 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -31.6 | 177.9 | -66.6 | 165.8 | 135.2 | 0 | 0 | 112.2 | L62 T63 A68 D69 L70 | L62-E66 HydrophobicContact CB-CB 4.2Å; L62-E66 HydrophobicContact CD2-CB 4.1Å; T63-E66 WeakPolarHBondContact CB-OE2 3.47Å; T63-E66 PolarHBondContact N-OE2 3.33Å; T63-E66 PolarHBondContact O-N 3.35Å; T63-E66 VanDerWaalsContact O-N 3.13Å; T63-E66 WeakPolarHBondContact OG1-CG 3.27Å; T63-E66 PolarHBondContact OG1-OE2 3.14Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-D69 PolarHBondContact O-N 3.3Å; E66-L70 VanDerWaalsContact O-CB 3.29Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 PolarHBondContact O-N 3.48Å |
| 67 | V | 94.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 98 Ų | 98 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L62 T63 L65 L70 S71 | L62-V67 HydrophobicContact CB-CG2 3.84Å; L62-V67 HydrophobicContact CD1-CG2 4.5Å; T63-V67 WeakPolarHBondContact O-CG2 3.42Å; T63-V67 PolarHBondContact O-N 2.9Å; L65-V67 VanDerWaalsContact C-N 3.27Å; L65-V67 PolarHBondContact O-N 3.25Å; V67-L70 PolarHBondContact O-N 2.94Å; V67-S71 PolarHBondContact O-N 2.98Å |
| 68 | A | 92.5 | Very high | 91.9 | Very high | 58 Ų | 58 | 98.6 Ų | 98.6 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L64 L65 E66 L70 S71 E72 | L64-A68 PolarHBondContact O-N 3.47Å; L65-A68 WeakPolarHBondContact O-CB 2.95Å; L65-A68 PolarHBondContact O-N 2.7Å; L65-A68 VanDerWaalsContact O-N 3.08Å; E66-A68 VanDerWaalsContact C-N 3.32Å; A68-L70 VanDerWaalsContact C-N 3.34Å; A68-L70 PolarHBondContact O-N 3.32Å; A68-S71 WeakPolarHBondContact O-CB 3.36Å; A68-S71 PolarHBondContact O-N 3.37Å; A68-E72 PolarHBondContact O-N 3.48Å |
| 69 | D | 94.6 | Very high | 91.1 | Very high | 96 Ų | 96 | 96 Ų | 96 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 175.6 | -67.8 | -19 | 0 | 0 | 0 | 111.7 | L65 E66 S71 E72 L73 | L65-D69 PolarHBondContact O-N 2.85Å; L65-D69 VanDerWaalsContact O-N 3.13Å; E66-D69 PolarHBondContact O-N 3.3Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 PolarHBondContact O-N 3.46Å; D69-E72 PolarHBondContact O-N 3.21Å; D69-L73 WeakPolarHBondContact O-CB 3.15Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 3.38Å |
| 70 | L | 94.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 97 Ų | 97 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 174.4 | 179.2 | 156.1 | 0 | 0 | 0 | 110.9 | I59 L62 E66 V67 A68 L73 L74 | I59-L70 HydrophobicContact CG1-CD1 4.31Å; L62-L70 HydrophobicContact CD1-CD1 3.68Å; E66-L70 VanDerWaalsContact O-CB 3.29Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 PolarHBondContact O-N 3.48Å; V67-L70 PolarHBondContact O-N 2.94Å; A68-L70 VanDerWaalsContact C-N 3.34Å; A68-L70 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 2.9Å; L70-L74 HydrophobicContact CD2-CD1 3.52Å; L70-L74 HydrophobicContact CD2-CG 4.1Å; L70-L74 VanDerWaalsContact O-CG 3.32Å; L70-L74 WeakPolarHBondContact O-CG 3.27Å; L70-L74 PolarHBondContact O-N 3.38Å |
| 71 | S | 90.7 | Very high | 89.2 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | V67 A68 D69 L74 Q75 | V67-S71 PolarHBondContact O-N 2.98Å; A68-S71 WeakPolarHBondContact O-CB 3.36Å; A68-S71 PolarHBondContact O-N 3.37Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 PolarHBondContact O-N 3.46Å; S71-L74 PolarHBondContact O-N 3.32Å; S71-Q75 VanDerWaalsContact O-CG 3.28Å; S71-Q75 WeakPolarHBondContact O-CG 3.36Å; S71-Q75 PolarHBondContact O-N 2.87Å; S71-Q75 PolarHBondContact O-NE2 3.27Å; S71-Q75 PolarHBondContact OG-NE2 2.81Å; S71-Q75 VanDerWaalsContact OG-NE2 3.12Å |
| 72 | E | 90.1 | Very high | 87.7 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.5 | -170.7 | -177.5 | 161.6 | 0 | 0 | 111.8 | A68 D69 L74 Q75 K76 | A68-E72 PolarHBondContact O-N 3.48Å; D69-E72 PolarHBondContact O-N 3.21Å; E72-L74 PolarHBondContact O-N 2.98Å; E72-Q75 PolarHBondContact O-N 3.46Å; E72-K76 HydrophobicContact CG-CD 4.41Å; E72-K76 WeakPolarHBondContact O-CG 3.44Å; E72-K76 PolarHBondContact O-N 2.85Å; E72-K76 WeakPolarHBondContact OE1-CE 3.36Å; E72-K76 IonicContact OE1-NZ 2.64Å; E72-K76 PolarHBondContact OE1-NZ 2.89Å |
| 73 | L | 91.1 | Very high | 86.1 | Confident | 101 Ų | 101 | 103.7 Ų | 103.7 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176 | -73.6 | 176.3 | 0 | 0 | 0 | 111.8 | D69 L70 Q75 K76 K77 | D69-L73 WeakPolarHBondContact O-CB 3.15Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 3.38Å; L70-L73 PolarHBondContact O-N 2.9Å; L73-Q75 VanDerWaalsContact C-N 3.34Å; L73-K76 PolarHBondContact O-N 2.81Å; L73-K77 VanDerWaalsContact O-CB 3.3Å; L73-K77 WeakPolarHBondContact O-CB 3.34Å; L73-K77 WeakPolarHBondContact O-CG 3.48Å; L73-K77 PolarHBondContact O-N 3.27Å |
| 74 | L | 90.6 | Very high | 84.6 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 174.7 | -72.4 | -178.8 | 0 | 0 | 0 | 111.6 | L70 S71 E72 K77 L78 | L70-L74 HydrophobicContact CD2-CD1 3.52Å; L70-L74 HydrophobicContact CD2-CG 4.1Å; L70-L74 VanDerWaalsContact O-CG 3.32Å; L70-L74 WeakPolarHBondContact O-CG 3.27Å; L70-L74 PolarHBondContact O-N 3.38Å; S71-L74 PolarHBondContact O-N 3.32Å; E72-L74 PolarHBondContact O-N 2.98Å; L74-K77 PolarHBondContact O-N 3.07Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 VanDerWaalsContact O-CG 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.21Å; L74-L78 PolarHBondContact O-N 2.73Å |
| 75 | Q | 86 | Confident | 82.9 | Confident | 64 Ų | 64 | 98.6 Ų | 98.6 | 30% | 0.299 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176 | -72.6 | 169.2 | 60.8 | 0 | 0 | 111.9 | S71 E72 L73 N79 I80 | S71-Q75 VanDerWaalsContact O-CG 3.28Å; S71-Q75 WeakPolarHBondContact O-CG 3.36Å; S71-Q75 PolarHBondContact O-N 2.87Å; S71-Q75 PolarHBondContact O-NE2 3.27Å; S71-Q75 PolarHBondContact OG-NE2 2.81Å; S71-Q75 VanDerWaalsContact OG-NE2 3.12Å; E72-Q75 PolarHBondContact O-N 3.46Å; L73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-N79 WeakPolarHBondContact O-CA 3.47Å; Q75-N79 PolarHBondContact O-N 2.89Å; Q75-I80 PolarHBondContact O-N 3.46Å |
| 76 | K | 88 | Confident | 81.3 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 176 | -72.8 | 176.2 | -178.1 | 168.8 | 0 | 111.9 | E72 L73 N79 | E72-K76 HydrophobicContact CG-CD 4.41Å; E72-K76 WeakPolarHBondContact O-CG 3.44Å; E72-K76 PolarHBondContact O-N 2.85Å; E72-K76 WeakPolarHBondContact OE1-CE 3.36Å; E72-K76 IonicContact OE1-NZ 2.64Å; E72-K76 PolarHBondContact OE1-NZ 2.89Å; L73-K76 PolarHBondContact O-N 2.81Å; K76-N79 PolarHBondContact O-N 3.22Å |
| 77 | K | 87.7 | Confident | 79.5 | Confident | 178 Ų | 178 | 100 Ų | 100 | 77% | 0.774 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -40.2 | -178.6 | -73.8 | -67.9 | -178.1 | -175.2 | 0 | 112.8 | L73 L74 N79 | L73-K77 VanDerWaalsContact O-CB 3.3Å; L73-K77 WeakPolarHBondContact O-CB 3.34Å; L73-K77 WeakPolarHBondContact O-CG 3.48Å; L73-K77 PolarHBondContact O-N 3.27Å; L74-K77 PolarHBondContact O-N 3.07Å; K77-N79 VanDerWaalsContact C-N 3.27Å |
| 78 | L | 87.8 | Confident | 77.7 | Confident | 116 Ų | 116 | 102 Ų | 102 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -86.4 | -1 | 179.5 | -61.2 | 176.5 | 0 | 0 | 0 | 112.6 | L74 I80 | L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 VanDerWaalsContact O-CG 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.21Å; L74-L78 PolarHBondContact O-N 2.73Å; L78-I80 HydrophobicContact CB-CB 4.48Å; L78-I80 HydrophobicContact CB-CD1 3.63Å; L78-I80 HydrophobicContact CB-CG1 3.66Å; L78-I80 HydrophobicContact CD1-CD1 3.74Å; L78-I80 HydrophobicContact CG-CD1 4.34Å; L78-I80 PolarHBondContact O-N 3.01Å |
| 79 | N | 78.7 | Confident | 76.1 | Confident | 127 Ų | 127 | 107.3 Ų | 107.3 | 68% | 0.679 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.8 | 31.1 | -169.8 | -163.9 | 25.4 | 0 | 0 | 0 | 112.3 | Q75 K76 K77 K81 | Q75-N79 WeakPolarHBondContact O-CA 3.47Å; Q75-N79 PolarHBondContact O-N 2.89Å; K76-N79 PolarHBondContact O-N 3.22Å; K77-N79 VanDerWaalsContact C-N 3.27Å; N79-K81 PolarHBondContact O-N 2.95Å |
| 80 | I | 76 | Confident | 74.3 | Confident | 96 Ų | 96 | 111.5 Ų | 111.5 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | trans | -78.6 | 87.7 | 171.6 | -61 | 169.5 | 0 | 0 | 0 | 103.3 | Q75 L78 N82 | Q75-I80 PolarHBondContact O-N 3.46Å; L78-I80 HydrophobicContact CB-CB 4.48Å; L78-I80 HydrophobicContact CB-CD1 3.63Å; L78-I80 HydrophobicContact CB-CG1 3.66Å; L78-I80 HydrophobicContact CD1-CD1 3.74Å; L78-I80 HydrophobicContact CG-CD1 4.34Å; L78-I80 PolarHBondContact O-N 3.01Å; I80-N82 VanDerWaalsContact C-N 3.33Å; I80-N82 PolarHBondContact O-N 2.8Å | ||
| 81 | K | 66 | Low | 72.4 | Confident | 149 Ų | 149 | 110.9 Ų | 110.9 | 65% | 0.648 | 59% | 0.594 | S | S | * | * | trans | -50.4 | 112.9 | 156.7 | -68.4 | -178.5 | -177.8 | 172.8 | 0 | 103.7 | N79 T83 | N79-K81 PolarHBondContact O-N 2.95Å; K81-T83 HydrophobicContact CB-CG2 4.44Å; K81-T83 PolarHBondContact O-N 2.89Å | ||
| 82 | N | 63.2 | Low | 70.3 | Confident | 104 Ų | 104 | 117.6 Ų | 117.6 | 56% | 0.556 | 62% | 0.619 | S | S | * | * | trans | -64.7 | 80.6 | 171.3 | -175.4 | 54.3 | 0 | 0 | 0 | 106.4 | I80 G84 | I80-N82 VanDerWaalsContact C-N 3.33Å; I80-N82 PolarHBondContact O-N 2.8Å; N82-G84 PolarHBondContact O-N 2.6Å | ||
| 83 | T | 59.8 | Low | 68.1 | Low | 130 Ų | 130 | 118 Ų | 118 | 80% | 0.798 | 64% | 0.638 | S | S | * | * | trans | -69.6 | 7.5 | 160.5 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | K81 | K81-T83 HydrophobicContact CB-CG2 4.44Å; K81-T83 PolarHBondContact O-N 2.89Å | ||
| 84 | G | 63.8 | Low | 66.1 | Low | 21 Ų | 21 | 118.2 Ų | 118.2 | 22% | 0.216 | 65% | 0.646 | C | S | . | * | S | Bend | trans | -41.1 | 143.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N82 V86 | N82-G84 PolarHBondContact O-N 2.6Å; G84-V86 VanDerWaalsContact C-N 3.31Å; G84-V86 PolarHBondContact O-N 3.39Å |
| 85 | P | 57.2 | Low | 64.1 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | trans | -57.1 | 100.5 | -164.4 | 24.1 | -33.3 | 0 | 0 | 0 | 108 | M87 | P85-M87 HydrophobicContact CB-CG 4.35Å; P85-M87 PolarHBondContact O-N 3.25Å | ||
| 86 | V | 59.5 | Low | 62.3 | Low | 130 Ų | 130 | 125.5 Ų | 125.5 | 79% | 0.788 | 69% | 0.686 | S | S | * | * | trans | -59 | 83.3 | 143.2 | -172.4 | 0 | 0 | 0 | 0 | 101.3 | G84 P88 | G84-V86 VanDerWaalsContact C-N 3.31Å; G84-V86 PolarHBondContact O-N 3.39Å; V86-P88 WeakPolarHBondContact O-CD 3.31Å | ||
| 87 | M | 56.9 | Low | 60.3 | Low | 129 Ų | 129 | 128 Ų | 128 | 64% | 0.635 | 70% | 0.699 | S | S | * | * | trans | -45.9 | 118.7 | 170.1 | -82.3 | -74 | -82.1 | 0 | 0 | 102.8 | P85 M89 | P85-M87 HydrophobicContact CB-CG 4.35Å; P85-M87 PolarHBondContact O-N 3.25Å; M87-M89 PolarHBondContact O-N 3.29Å | ||
| 88 | P | 58 | Low | 58.3 | Low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | trans | -60 | 93.7 | 170.9 | 22.2 | -29 | 0 | 0 | 0 | 105.4 | V86 M90 G91 | V86-P88 WeakPolarHBondContact O-CD 3.31Å; P88-M90 PolarHBondContact O-N 2.89Å; P88-G91 PolarHBondContact O-N 3.25Å | ||
| 89 | M | 58 | Low | 56.3 | Low | 169 Ų | 169 | 126.1 Ų | 126.1 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 8.5 | 159.3 | -81.4 | -77.1 | 125.1 | 0 | 0 | 110.6 | M87 | M87-M89 PolarHBondContact O-N 3.29Š|
| 90 | M | 56.8 | Low | 54.8 | Low | 184 Ų | 184 | 128.3 Ų | 128.3 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 32.5 | -179.5 | -68.6 | -63 | -171.2 | 0 | 0 | 112.2 | P88 | P88-M90 PolarHBondContact O-N 2.89Š|
| 91 | G | 53.7 | Low | 53.3 | Low | 44 Ų | 44 | 130.8 Ų | 130.8 | 45% | 0.454 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -146.5 | 51.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P88 | P88-G91 PolarHBondContact O-N 3.25Š|
| 92 | Q | 46.8 | Very low | 52.2 | Low | 196 Ų | 196 | 129.7 Ų | 129.7 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 163 | 84.8 | 144.8 | -88.8 | 160.1 | 89.4 | 0 | 0 | 112.4 | ||
| 93 | A | 44.5 | Very low | 51.4 | Low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -156.2 | 88.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 94 | P | 48.5 | Very low | 50.7 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | trans | -74.1 | 161.4 | 163.4 | 32.5 | -30 | 0 | 0 | 0 | 108.9 | ||||
| 95 | I | 49.8 | Very low | 49.8 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | 114.4 | 95.1 | 163.5 | -55.7 | 156.4 | 0 | 0 | 0 | 112.5 | ||||
| 96 | N | 48.5 | Very low | 49.4 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 106.1 | 67.9 | 133.6 | -154.8 | 53.3 | 0 | 0 | 0 | 116.6 | ||||
| 97 | Q | 46.2 | Very low | 48.9 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -146.7 | 147.3 | 130.2 | -68.6 | -156.7 | 1.2 | 0 | 0 | 111 | ||||
| 98 | P | 43.9 | Very low | 48.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 151.7 | -160.3 | -13.6 | 30.8 | 0 | 0 | 0 | 114.1 | E100 | P98-E100 PolarHBondContact O-N 3.16Š| ||
| 99 | V | 46.3 | Very low | 48.3 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -60 | 105.9 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | E | 48 | Very low | 48.3 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -118.4 | 130.4 | 161.7 | -74.2 | -175.3 | 170.1 | 0 | 0 | 108.5 | P98 | P98-E100 PolarHBondContact O-N 3.16Š| ||
| 101 | E | 43.2 | Very low | 48.5 | Very low | 147 Ų | 147 | 139 Ų | 139 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | 34 | 110 | -179.3 | -94.5 | 74.3 | -161.1 | 0 | 0 | 121.2 | E103 | E101-E103 HydrophobicContact CB-CG 4.46Å; E101-E103 HydrophobicContact CG-CG 4.43Å; E101-E103 PolarHBondContact O-N 3.19Å | ||
| 102 | P | 43.5 | Very low | 48.9 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -79.5 | 84.1 | 158.4 | 32.1 | -28 | 0 | 0 | 0 | 110 | ||||
| 103 | E | 47.2 | Very low | 50.2 | Low | 162 Ų | 162 | 132.6 Ų | 132.6 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | -100.7 | 116.2 | 168.2 | -74.1 | -166 | 156.5 | 0 | 0 | 111.5 | E101 | E101-E103 HydrophobicContact CB-CG 4.46Å; E101-E103 HydrophobicContact CG-CG 4.43Å; E101-E103 PolarHBondContact O-N 3.19Å | ||
| 104 | E | 44.5 | Very low | 51.9 | Low | 163 Ų | 163 | 128.8 Ų | 128.8 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | trans | 71 | 85.2 | 156.9 | -69.2 | 179 | 152.2 | 0 | 0 | 118.2 | Q106 | E104-Q106 PolarHBondContact O-N 3.27Š| ||
| 105 | Q | 44.9 | Very low | 53.6 | Low | 190 Ų | 190 | 123.7 Ų | 123.7 | 89% | 0.888 | 66% | 0.66 | S | S | * | * | trans | -36.9 | 83.8 | 137.2 | -113.3 | 97.2 | -6.8 | 0 | 0 | 111.8 | A107 | Q105-A107 PolarHBondContact O-N 3.37Š| ||
| 106 | Q | 48.4 | Very low | 55.3 | Low | 173 Ų | 173 | 118.5 Ų | 118.5 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | -72.1 | 91.4 | 157.7 | -74.9 | 179 | 30.5 | 0 | 0 | 106.6 | E104 | E104-Q106 PolarHBondContact O-N 3.27Š| ||
| 107 | A | 48.9 | Very low | 56.9 | Low | 75 Ų | 75 | 111.6 Ų | 111.6 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | trans | -46.4 | 126.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q105 T109 | Q105-A107 PolarHBondContact O-N 3.37Å; A107-T109 PolarHBondContact O-N 3.27Å | ||
| 108 | P | 52 | Low | 58.8 | Low | 116 Ų | 116 | 105.1 Ų | 105.1 | 75% | 0.753 | 57% | 0.568 | S | S | * | * | trans | -61.6 | 104.4 | -179.4 | 23.9 | -31.8 | 0 | 0 | 0 | 107.2 | K110 | P108-K110 VanDerWaalsContact C-N 3.31Å; P108-K110 PolarHBondContact O-N 3.13Å | ||
| 109 | T | 51.4 | Low | 60.5 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 69% | 0.693 | 56% | 0.562 | S | S | * | * | trans | -58.7 | 101.5 | 171.5 | 52.8 | 0 | 0 | 0 | 0 | 105.6 | A107 T111 | A107-T109 PolarHBondContact O-N 3.27Å; T109-T111 PolarHBondContact O-N 3.44Å | ||
| 110 | K | 56.7 | Low | 62.3 | Low | 195 Ų | 195 | 102.5 Ų | 102.5 | 85% | 0.848 | 53% | 0.533 | S | S | * | . | trans | -66.4 | 74.1 | 170.3 | -69.4 | 178.2 | 177.8 | 174.5 | 0 | 107.3 | P108 A112 | P108-K110 VanDerWaalsContact C-N 3.31Å; P108-K110 PolarHBondContact O-N 3.13Å; K110-A112 PolarHBondContact O-N 3.22Å | ||
| 111 | T | 61.6 | Low | 64 | Low | 86 Ų | 86 | 98.1 Ų | 98.1 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | trans | -84.8 | 25.8 | 176.3 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | T109 F113 | T109-T111 PolarHBondContact O-N 3.44Å; T111-F113 PolarHBondContact O-N 2.81Å | ||
| 112 | A | 61.9 | Low | 65.7 | Low | 51 Ų | 51 | 94.9 Ų | 94.9 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | trans | -92.5 | 94.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | K110 D158 | K110-A112 PolarHBondContact O-N 3.22Å; A112-D158 WeakPolarHBondContact CB-OD1 3.27Å | ||
| 113 | F | 74.9 | Confident | 67.6 | Low | 54 Ų | 54 | 92.9 Ų | 92.9 | 24% | 0.237 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.5 | 172.3 | -63.7 | -82.1 | 0 | 0 | 0 | 109.4 | T111 D158 V159 K161 A164 I180 E181 | T111-F113 PolarHBondContact O-N 2.81Å; F113-D158 PolarHBondContact O-N 2.89Å; F113-V159 HydrophobicContact CB-CG2 4.37Å; F113-V159 PolarHBondContact N-O 3.1Å; F113-V159 VanDerWaalsContact O-CG2 3.26Å; F113-V159 WeakPolarHBondContact O-CG2 3.19Å; F113-V159 PolarHBondContact O-N 3.31Å; F113-V159 VanDerWaalsContact O-N 3.13Å; F113-K161 HydrophobicContact CD2-CB 4.11Å; F113-K161 HydrophobicContact CE2-CB 3.63Å; F113-K161 HydrophobicContact CE2-CG 4.11Å; F113-K161 HydrophobicContact CZ-CB 4.24Å; F113-K161 HydrophobicContact CZ-CG 4.23Å; F113-A164 HydrophobicContact CB-CB 4.03Å; F113-I180 HydrophobicContact CB-CG2 3.85Å; F113-I180 HydrophobicContact CD1-CG2 3.62Å; F113-I180 HydrophobicContact CG-CG2 4.08Å; F113-E181 CarbonylContact C-O 3.59Å; F113-E181 VanDerWaalsContact CA-O 3.29Å; F113-E181 WeakPolarHBondContact CA-O 3.27Å |
| 114 | S | 80.6 | Confident | 69.5 | Low | 20 Ų | 20 | 88.8 Ų | 88.8 | 14% | 0.14 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.3 | 171.1 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | N154 E181 | S114-N154 PolarHBondContact OG-OD1 2.83Å; S114-E181 PolarHBondContact N-O 3.13Å; S114-E181 PolarHBondContact O-N 3.18Å |
| 115 | V | 84.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 109.3 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | I155 K156 V159 A164 I167 I178 | V115-I155 HydrophobicContact CG1-CD1 4.32Å; V115-I155 PolarHBondContact O-N 3.18Å; V115-K156 PolarHBondContact N-O 2.73Å; V115-V159 HydrophobicContact CG2-CG2 3.75Å; V115-A164 HydrophobicContact CG2-CB 3.8Å; V115-I167 HydrophobicContact CG1-CG2 3.88Å; V115-I178 HydrophobicContact CG1-CD1 4.39Å; V115-I178 HydrophobicContact CG1-CG2 3.55Å |
| 116 | K | 84.1 | Confident | 73.5 | Confident | 55 Ų | 55 | 80.5 Ų | 80.5 | 24% | 0.239 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.4 | 178.3 | -71.4 | 178.9 | -168.4 | 173.4 | 0 | 111.5 | V118 N154 I178 A179 E181 | K116-V118 PolarHBondContact O-N 2.94Å; K116-N154 WeakPolarHBondContact CE-OD1 3.3Å; K116-N154 WeakPolarHBondContact CG-OD1 3.16Å; K116-I178 WeakPolarHBondContact O-CA 3.37Å; K116-A179 PolarHBondContact N-O 3.11Å; K116-A179 PolarHBondContact O-N 2.93Å; K116-E181 WeakPolarHBondContact CE-OE2 3.44Å; K116-E181 IonicContact NZ-OE1 2.6Å; K116-E181 PolarHBondContact NZ-OE1 3.36Å; K116-E181 IonicContact NZ-OE2 2.62Å; K116-E181 PolarHBondContact NZ-OE2 3.3Å |
| 117 | L | 82.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.8 | 164.1 | -176.4 | 61.1 | 0 | 0 | 0 | 108.3 | F120 L128 I132 A151 P152 A153 I155 A176 | L117-F120 HydrophobicContact CD1-CB 4.46Å; L117-F120 HydrophobicContact CD2-CD1 4.24Å; L117-L128 HydrophobicContact CD1-CD2 4.24Å; L117-L128 HydrophobicContact CD2-CD2 4.06Å; L117-I132 HydrophobicContact CD2-CD1 4.46Å; L117-A151 HydrophobicContact CD2-CB 4.12Å; L117-A151 HydrophobicContact CG-CB 4.26Å; L117-P152 CarbonylContact O-C 3.5Å; L117-P152 WeakPolarHBondContact O-CA 3.39Å; L117-A153 PolarHBondContact N-O 2.76Å; L117-A153 PolarHBondContact O-N 3.28Å; L117-A153 VanDerWaalsContact O-N 3.12Å; L117-I155 HydrophobicContact CB-CD1 3.94Å; L117-I155 HydrophobicContact CB-CG1 3.99Å; L117-A176 HydrophobicContact CD1-CB 3.56Å |
| 118 | V | 85.6 | Confident | 77.4 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -49.9 | -177.7 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | K116 S177 A179 | K116-V118 PolarHBondContact O-N 2.94Å; V118-S177 PolarHBondContact N-O 3.2Å; V118-A179 HydrophobicContact CG2-CB 3.49Å; V118-A179 VanDerWaalsContact CG2-CB 3.49Å |
| 119 | K | 80.6 | Confident | 79.1 | Confident | 146 Ų | 146 | 68.8 Ų | 68.8 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158.6 | 178.1 | -70.9 | -176.6 | 178.1 | 71.5 | 0 | 109.3 | A176 S177 | K119-A176 CarbonylContact O-C 3.6Å; K119-S177 PolarHBondContact N-O 2.9Å; K119-S177 PolarHBondContact O-N 2.79Å |
| 120 | F | 83.8 | Confident | 81 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 153.2 | 170.9 | 63.2 | -83.1 | 0 | 0 | 0 | 109.8 | L117 K125 L128 V148 A151 | L117-F120 HydrophobicContact CD1-CB 4.46Å; L117-F120 HydrophobicContact CD2-CD1 4.24Å; F120-K125 HydrophobicContact CD2-CB 4.41Å; F120-K125 HydrophobicContact CE2-CB 4.26Å; F120-K125 HydrophobicContact CE2-CD 4.13Å; F120-K125 HydrophobicContact CE2-CG 4.09Å; F120-L128 HydrophobicContact CB-CD2 3.34Å; F120-L128 HydrophobicContact CD1-CD2 4.35Å; F120-L128 HydrophobicContact CD2-CD2 4.12Å; F120-L128 HydrophobicContact CG-CD2 3.69Å; F120-V148 HydrophobicContact CD1-CG1 4.03Å; F120-V148 HydrophobicContact CD2-CG1 3.92Å; F120-V148 HydrophobicContact CE1-CG1 3.81Å; F120-V148 WeakPolarHBondContact CE1-O 3.35Å; F120-V148 HydrophobicContact CE2-CG1 3.69Å; F120-V148 HydrophobicContact CG-CG1 4.1Å; F120-V148 HydrophobicContact CZ-CG1 3.63Å; F120-V148 WeakPolarHBondContact CZ-O 3.21Å; F120-A151 HydrophobicContact CD1-CB 3.92Å; F120-A151 HydrophobicContact CE1-CB 3.73Å |
| 121 | D | 83.5 | Confident | 82.5 | Confident | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | trans | -77.8 | 127.8 | 171.7 | -171.5 | -11.9 | 0 | 0 | 0 | 110.7 | A123 K124 K125 G175 | D121-A123 PolarHBondContact O-N 2.92Å; D121-A123 WeakPolarHBondContact OD1-CB 3.49Å; D121-A123 PolarHBondContact OD1-N 2.99Å; D121-K124 PolarHBondContact O-N 2.99Å; D121-K124 VanDerWaalsContact O-N 3.13Å; D121-K125 PolarHBondContact O-N 2.91Å; D121-K125 VanDerWaalsContact O-N 3.16Å; D121-G175 PolarHBondContact N-O 2.87Å | ||
| 122 | A | 79.8 | Confident | 83.8 | Confident | 79 Ų | 79 | 58 Ų | 58 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -58.8 | -31.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K124 K125 | A122-K124 VanDerWaalsContact C-N 3.3Å; A122-K124 PolarHBondContact O-N 2.87Å; A122-K125 WeakPolarHBondContact O-CB 3.45Å; A122-K125 PolarHBondContact O-N 3.17Å |
| 123 | A | 83.6 | Confident | 85.1 | Confident | 85 Ų | 85 | 59.5 Ų | 59.5 | 70% | 0.702 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -66 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D121 | D121-A123 PolarHBondContact O-N 2.92Å; D121-A123 WeakPolarHBondContact OD1-CB 3.49Å; D121-A123 PolarHBondContact OD1-N 2.99Å |
| 124 | K | 86 | Confident | 85.8 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -100.7 | 7.2 | -178.9 | -59.3 | -172.3 | -178.9 | -179.7 | 0 | 113.6 | D121 A122 I126 Q127 L128 E173 V174 | D121-K124 PolarHBondContact O-N 2.99Å; D121-K124 VanDerWaalsContact O-N 3.13Å; A122-K124 VanDerWaalsContact C-N 3.3Å; A122-K124 PolarHBondContact O-N 2.87Å; K124-I126 PolarHBondContact O-N 3.4Å; K124-I126 VanDerWaalsContact O-N 3.12Å; K124-Q127 WeakPolarHBondContact O-CB 3.5Å; K124-Q127 PolarHBondContact O-N 3.39Å; K124-L128 PolarHBondContact O-N 3.05Å; K124-E173 PolarHBondContact NZ-O 3.4Å; K124-V174 HydrophobicContact CB-CG1 4.43Å; K124-V174 WeakPolarHBondContact CB-O 3.4Å; K124-V174 WeakPolarHBondContact CD-O 3.45Å |
| 125 | K | 84.2 | Confident | 86 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -50.9 | -39.5 | 179 | -177.9 | 178.6 | 177.5 | -179.6 | 0 | 113.7 | F120 D121 A122 L128 I129 V148 E149 | F120-K125 HydrophobicContact CD2-CB 4.41Å; F120-K125 HydrophobicContact CE2-CB 4.26Å; F120-K125 HydrophobicContact CE2-CD 4.13Å; F120-K125 HydrophobicContact CE2-CG 4.09Å; D121-K125 PolarHBondContact O-N 2.91Å; D121-K125 VanDerWaalsContact O-N 3.16Å; A122-K125 WeakPolarHBondContact O-CB 3.45Å; A122-K125 PolarHBondContact O-N 3.17Å; K125-L128 PolarHBondContact O-N 2.64Å; K125-I129 HydrophobicContact CG-CD1 3.93Å; K125-I129 WeakPolarHBondContact O-CD1 3.4Å; K125-I129 VanDerWaalsContact O-CG1 3.24Å; K125-I129 WeakPolarHBondContact O-CG1 3.13Å; K125-I129 PolarHBondContact O-N 2.92Å; K125-V148 HydrophobicContact CG-CG1 4.13Å; K125-E149 IonicContact NZ-OE1 3.94Å; K125-E149 PolarHBondContact NZ-OE1 3.07Å |
| 126 | I | 89.1 | Confident | 86.1 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 65% | 0.646 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 179.5 | -60.9 | 175.9 | 0 | 0 | 0 | 111.2 | K124 K130 | K124-I126 PolarHBondContact O-N 3.4Å; K124-I126 VanDerWaalsContact O-N 3.12Å; I126-K130 WeakPolarHBondContact O-CG 3.46Å; I126-K130 PolarHBondContact O-N 3.09Å |
| 127 | Q | 90.2 | Very high | 86.2 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 175.9 | -66.4 | 173.2 | 10 | 0 | 0 | 109.8 | K124 I129 K130 E131 V174 | K124-Q127 WeakPolarHBondContact O-CB 3.5Å; K124-Q127 PolarHBondContact O-N 3.39Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 2.89Å; Q127-K130 WeakPolarHBondContact O-CA 3.22Å; Q127-K130 WeakPolarHBondContact O-CB 3.42Å; Q127-K130 PolarHBondContact O-N 2.99Å; Q127-E131 PolarHBondContact O-N 3.36Å; Q127-E131 VanDerWaalsContact O-N 3.07Å; Q127-V174 HydrophobicContact CB-CG1 3.37Å; Q127-V174 HydrophobicContact CB-CG2 4.41Å |
| 128 | L | 88.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 178.9 | -176.7 | 59.1 | 0 | 0 | 0 | 112.6 | L117 F120 K124 K125 K130 E131 I132 V148 L171 V174 A176 | L117-L128 HydrophobicContact CD1-CD2 4.24Å; L117-L128 HydrophobicContact CD2-CD2 4.06Å; F120-L128 HydrophobicContact CB-CD2 3.34Å; F120-L128 HydrophobicContact CD1-CD2 4.35Å; F120-L128 HydrophobicContact CD2-CD2 4.12Å; F120-L128 HydrophobicContact CG-CD2 3.69Å; K124-L128 PolarHBondContact O-N 3.05Å; K125-L128 PolarHBondContact O-N 2.64Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 2.91Å; L128-E131 PolarHBondContact O-N 2.62Å; L128-I132 HydrophobicContact CD1-CD1 4.05Å; L128-I132 HydrophobicContact CD1-CG1 4.4Å; L128-I132 HydrophobicContact CG-CD1 3.86Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.34Å; L128-V148 HydrophobicContact CD2-CG1 3.8Å; L128-V148 HydrophobicContact CD2-CG2 4.29Å; L128-V148 HydrophobicContact CG-CG1 4.46Å; L128-V148 HydrophobicContact CG-CG2 4.23Å; L128-L171 HydrophobicContact CD1-CD2 3.46Å; L128-L171 VanDerWaalsContact CD1-CD2 3.46Å; L128-V174 HydrophobicContact CB-CG1 4.03Å; L128-V174 VanDerWaalsContact N-CG1 3.26Å; L128-A176 HydrophobicContact CD1-CB 3.8Å; L128-A176 HydrophobicContact CD2-CB 4.27Å |
| 129 | I | 89.2 | Confident | 86.3 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 175.5 | -67.5 | 159.5 | 0 | 0 | 0 | 111.3 | K125 Q127 K133 L141 A144 K145 V148 | K125-I129 HydrophobicContact CG-CD1 3.93Å; K125-I129 WeakPolarHBondContact O-CD1 3.4Å; K125-I129 VanDerWaalsContact O-CG1 3.24Å; K125-I129 WeakPolarHBondContact O-CG1 3.13Å; K125-I129 PolarHBondContact O-N 2.92Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 2.89Å; I129-K133 WeakPolarHBondContact O-CG 3.3Å; I129-K133 PolarHBondContact O-N 3.4Å; I129-K133 VanDerWaalsContact O-N 3.16Å; I129-L141 HydrophobicContact CG2-CD1 4.01Å; I129-A144 HydrophobicContact CG2-CB 4.03Å; I129-K145 HydrophobicContact CD1-CG 3.77Å; I129-V148 HydrophobicContact CG1-CB 4.35Å; I129-V148 HydrophobicContact CG1-CG2 3.89Å |
| 130 | K | 89.3 | Confident | 86.7 | Confident | 130 Ų | 130 | 72.9 Ų | 72.9 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.9 | -46 | 175.7 | -70 | 177.4 | 179.5 | -176.6 | 0 | 110.8 | I126 Q127 L128 K133 Q134 | I126-K130 WeakPolarHBondContact O-CG 3.46Å; I126-K130 PolarHBondContact O-N 3.09Å; Q127-K130 WeakPolarHBondContact O-CA 3.22Å; Q127-K130 WeakPolarHBondContact O-CB 3.42Å; Q127-K130 PolarHBondContact O-N 2.99Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 2.91Å; K130-K133 PolarHBondContact O-N 2.94Å; K130-Q134 WeakPolarHBondContact O-CG 3.01Å; K130-Q134 PolarHBondContact O-N 3.5Å |
| 131 | E | 89.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.7 | -60.5 | -45.3 | 132 | 0 | 0 | 112.2 | Q127 L128 K133 Q134 V135 V170 L171 V174 | Q127-E131 PolarHBondContact O-N 3.36Å; Q127-E131 VanDerWaalsContact O-N 3.07Å; L128-E131 PolarHBondContact O-N 2.62Å; E131-K133 VanDerWaalsContact C-N 3.26Å; E131-K133 PolarHBondContact O-N 3.27Å; E131-Q134 WeakPolarHBondContact O-CA 3.45Å; E131-Q134 WeakPolarHBondContact O-CB 3.29Å; E131-Q134 PolarHBondContact O-N 3.12Å; E131-Q134 PolarHBondContact OE2-OE1 2.88Å; E131-V135 WeakPolarHBondContact O-CG2 3.01Å; E131-V135 PolarHBondContact O-N 3.03Å; E131-V170 HydrophobicContact CB-CG1 4.32Å; E131-V170 HydrophobicContact CG-CG1 3.94Å; E131-V170 WeakPolarHBondContact OE2-CG1 3.03Å; E131-L171 HydrophobicContact CB-CD2 3.49Å; E131-L171 VanDerWaalsContact CB-CD2 3.49Å; E131-L171 HydrophobicContact CG-CD2 4.35Å; E131-V174 HydrophobicContact CG-CB 4.49Å; E131-V174 HydrophobicContact CG-CG2 3.73Å |
| 132 | I | 88.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -35 | 178 | -73.7 | 165.4 | 0 | 0 | 0 | 111.8 | L117 L128 Q134 V135 I136 F147 V148 L171 | L117-I132 HydrophobicContact CD2-CD1 4.46Å; L128-I132 HydrophobicContact CD1-CD1 4.05Å; L128-I132 HydrophobicContact CD1-CG1 4.4Å; L128-I132 HydrophobicContact CG-CD1 3.86Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.34Å; I132-Q134 VanDerWaalsContact C-N 3.3Å; I132-Q134 PolarHBondContact O-N 3.21Å; I132-V135 PolarHBondContact O-N 3.38Å; I132-I136 PolarHBondContact O-N 3.38Å; I132-F147 HydrophobicContact CD1-CD1 4.2Å; I132-F147 HydrophobicContact CD1-CE1 4.31Å; I132-F147 HydrophobicContact CG2-CD1 4.17Å; I132-V148 HydrophobicContact CD1-CG2 3.21Å; I132-L171 HydrophobicContact CG1-CD2 4.27Å |
| 133 | K | 89.6 | Confident | 87.6 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.4 | -27.1 | 173 | -75.5 | -175.4 | 70.3 | -175.8 | 0 | 113.4 | I129 K130 E131 P137 L141 A144 | I129-K133 WeakPolarHBondContact O-CG 3.3Å; I129-K133 PolarHBondContact O-N 3.4Å; I129-K133 VanDerWaalsContact O-N 3.16Å; K130-K133 PolarHBondContact O-N 2.94Å; E131-K133 VanDerWaalsContact C-N 3.26Å; E131-K133 PolarHBondContact O-N 3.27Å; K133-P137 WeakPolarHBondContact O-CA 3.19Å; K133-L141 HydrophobicContact CD-CD1 4.12Å; K133-A144 HydrophobicContact CG-CB 3.93Å |
| 134 | Q | 88.2 | Confident | 87.8 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -77 | -39.8 | 173 | -65.6 | 179.9 | 19.4 | 0 | 0 | 111 | K130 E131 I132 | K130-Q134 WeakPolarHBondContact O-CG 3.01Å; K130-Q134 PolarHBondContact O-N 3.5Å; E131-Q134 WeakPolarHBondContact O-CA 3.45Å; E131-Q134 WeakPolarHBondContact O-CB 3.29Å; E131-Q134 PolarHBondContact O-N 3.12Å; E131-Q134 PolarHBondContact OE2-OE1 2.88Å; I132-Q134 VanDerWaalsContact C-N 3.3Å; I132-Q134 PolarHBondContact O-N 3.21Å |
| 135 | V | 86.3 | Confident | 87.9 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | E131 I132 I155 K156 I167 | E131-V135 WeakPolarHBondContact O-CG2 3.01Å; E131-V135 PolarHBondContact O-N 3.03Å; I132-V135 PolarHBondContact O-N 3.38Å; V135-I155 HydrophobicContact CG1-CG2 3.87Å; V135-K156 HydrophobicContact CG1-CD 3.91Å; V135-K156 HydrophobicContact CG1-CG 4.09Å; V135-K156 WeakPolarHBondContact O-CE 3.41Å; V135-K156 PolarHBondContact O-NZ 3.27Å; V135-I167 HydrophobicContact CG1-CD1 3.96Å; V135-I167 HydrophobicContact CG1-CG1 4.22Å; V135-I167 HydrophobicContact CG1-CG2 4.35Å; V135-I167 HydrophobicContact CG2-CG1 4.35Å; V135-I167 HydrophobicContact CG2-CG2 4.39Å |
| 136 | I | 86.5 | Confident | 88.2 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 16% | 0.159 | 38% | 0.377 | C | S | . | . | trans | -126.3 | 80.4 | -178.8 | -42.3 | 172.4 | 0 | 0 | 0 | 109.7 | I132 E138 M139 I155 K156 | I132-I136 PolarHBondContact O-N 3.38Å; I136-E138 HydrophobicContact CG2-CB 4.45Å; I136-E138 PolarHBondContact O-N 2.92Å; I136-E138 VanDerWaalsContact O-N 3.16Å; I136-M139 HydrophobicContact CB-CG 4.3Å; I136-M139 HydrophobicContact CB-SD 4.34Å; I136-M139 HydrophobicContact CD1-SD 4.02Å; I136-M139 HydrophobicContact CG2-CG 3.78Å; I136-M139 HydrophobicContact CG2-SD 4.15Å; I136-M139 PolarHBondContact O-N 3.17Å; I136-I155 HydrophobicContact CD1-CG2 3.94Å; I136-I155 WeakPolarHBondContact CD1-O 3.16Å; I136-I155 HydrophobicContact CG1-CG2 4.33Å; I136-K156 HydrophobicContact CG1-CG 4.45Å | ||
| 137 | P | 85.6 | Confident | 88.1 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 64% | 0.643 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.9 | -177 | 26.3 | -34.7 | 0 | 0 | 0 | 113.9 | K133 M139 | K133-P137 WeakPolarHBondContact O-CA 3.19Å; P137-M139 PolarHBondContact O-N 3.08Å |
| 138 | E | 86.2 | Confident | 87.9 | Confident | 173 Ų | 173 | 67.4 Ų | 67.4 | 81% | 0.808 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.5 | 176.2 | -58.8 | -64.5 | 160.1 | 0 | 0 | 112.9 | I136 | I136-E138 HydrophobicContact CG2-CB 4.45Å; I136-E138 PolarHBondContact O-N 2.92Å; I136-E138 VanDerWaalsContact O-N 3.16Å |
| 139 | M | 84.1 | Confident | 87.9 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -91.1 | 128.3 | 178.9 | -61.5 | -173.6 | 88.8 | 0 | 0 | 112.4 | I136 P137 Q143 F147 | I136-M139 HydrophobicContact CB-CG 4.3Å; I136-M139 HydrophobicContact CB-SD 4.34Å; I136-M139 HydrophobicContact CD1-SD 4.02Å; I136-M139 HydrophobicContact CG2-CG 3.78Å; I136-M139 HydrophobicContact CG2-SD 4.15Å; I136-M139 PolarHBondContact O-N 3.17Å; P137-M139 PolarHBondContact O-N 3.08Å; M139-Q143 HydrophobicContact CB-CB 4.37Å; M139-Q143 HydrophobicContact CE-CB 4.04Å; M139-F147 HydrophobicContact CE-CB 3.68Å; M139-F147 HydrophobicContact CE-CD2 3.92Å; M139-F147 HydrophobicContact CE-CG 3.92Å; M139-F147 HydrophobicContact SD-CD2 4.49Å; M139-F147 HydrophobicContact SD-CG 4.37Å |
| 140 | N | 89 | Confident | 87.8 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | trans | -72.6 | 158.7 | 171.5 | -167.1 | -14.3 | 0 | 0 | 0 | 111 | V142 Q143 A144 | N140-V142 PolarHBondContact O-N 3.49Å; N140-Q143 CarbonylContact O-C 3.47Å; N140-Q143 WeakPolarHBondContact O-CA 3.48Å; N140-Q143 PolarHBondContact O-N 3.03Å; N140-A144 PolarHBondContact O-N 2.91Å | ||
| 141 | L | 87.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -48.8 | -36.3 | 176.9 | -175.5 | 67.2 | 0 | 0 | 0 | 113.4 | I129 K133 K145 | I129-L141 HydrophobicContact CG2-CD1 4.01Å; K133-L141 HydrophobicContact CD-CD1 4.12Å; L141-K145 VanDerWaalsContact O-CG 3.27Å; L141-K145 WeakPolarHBondContact O-CG 3.42Å; L141-K145 PolarHBondContact O-N 3.28Å; L141-K145 VanDerWaalsContact O-N 3.15Å |
| 142 | V | 88.5 | Confident | 87.1 | Confident | 89 Ų | 89 | 74 Ų | 74 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 177 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | N140 K146 | N140-V142 PolarHBondContact O-N 3.49Å; V142-K146 WeakPolarHBondContact O-CG 3.42Å; V142-K146 PolarHBondContact O-N 2.99Å |
| 143 | Q | 89.7 | Confident | 86.9 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 177.6 | -69.8 | -178.7 | -34.8 | 0 | 0 | 111.4 | M139 N140 K145 K146 F147 | M139-Q143 HydrophobicContact CB-CB 4.37Å; M139-Q143 HydrophobicContact CE-CB 4.04Å; N140-Q143 CarbonylContact O-C 3.47Å; N140-Q143 WeakPolarHBondContact O-CA 3.48Å; N140-Q143 PolarHBondContact O-N 3.03Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; Q143-K145 PolarHBondContact O-N 3.2Å; Q143-K146 PolarHBondContact O-N 3.39Å; Q143-F147 VanDerWaalsContact O-CB 3.3Å; Q143-F147 WeakPolarHBondContact O-CB 3.32Å; Q143-F147 PolarHBondContact O-N 3.3Å |
| 144 | A | 87.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I129 K133 N140 F147 V148 | I129-A144 HydrophobicContact CG2-CB 4.03Å; K133-A144 HydrophobicContact CG-CB 3.93Å; N140-A144 PolarHBondContact O-N 2.91Å; A144-F147 PolarHBondContact O-N 3.36Å; A144-V148 WeakPolarHBondContact O-CG2 3.34Å; A144-V148 PolarHBondContact O-N 3.22Å |
| 145 | K | 88.2 | Confident | 86.6 | Confident | 99 Ų | 99 | 68.2 Ų | 68.2 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 173.4 | -78.3 | 173.6 | 179.7 | -171.5 | 0 | 112 | I129 L141 Q143 F147 E149 | I129-K145 HydrophobicContact CD1-CG 3.77Å; L141-K145 VanDerWaalsContact O-CG 3.27Å; L141-K145 WeakPolarHBondContact O-CG 3.42Å; L141-K145 PolarHBondContact O-N 3.28Å; L141-K145 VanDerWaalsContact O-N 3.15Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; Q143-K145 PolarHBondContact O-N 3.2Å; K145-F147 VanDerWaalsContact C-N 3.33Å; K145-F147 PolarHBondContact O-N 2.9Å; K145-E149 VanDerWaalsContact O-CG 3.31Å; K145-E149 WeakPolarHBondContact O-CG 3.45Å; K145-E149 PolarHBondContact O-N 2.67Å; K145-E149 VanDerWaalsContact O-N 3.14Å |
| 146 | K | 90.6 | Very high | 86.3 | Confident | 142 Ų | 142 | 70.6 Ų | 70.6 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 177.3 | -71.2 | -177 | 176.1 | -173.6 | 0 | 112.2 | V142 Q143 E149 S150 | V142-K146 WeakPolarHBondContact O-CG 3.42Å; V142-K146 PolarHBondContact O-N 2.99Å; Q143-K146 PolarHBondContact O-N 3.39Å; K146-E149 PolarHBondContact O-N 2.69Å; K146-S150 WeakPolarHBondContact O-CB 2.91Å; K146-S150 PolarHBondContact O-N 3.13Å; K146-S150 PolarHBondContact O-OG 3.48Å |
| 147 | F | 87.1 | Confident | 86 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | -179.6 | 179.9 | -92.7 | 0 | 0 | 0 | 112.1 | I132 M139 Q143 A144 K145 E149 S150 A153 N154 I155 | I132-F147 HydrophobicContact CD1-CD1 4.2Å; I132-F147 HydrophobicContact CD1-CE1 4.31Å; I132-F147 HydrophobicContact CG2-CD1 4.17Å; M139-F147 HydrophobicContact CE-CB 3.68Å; M139-F147 HydrophobicContact CE-CD2 3.92Å; M139-F147 HydrophobicContact CE-CG 3.92Å; M139-F147 HydrophobicContact SD-CD2 4.49Å; M139-F147 HydrophobicContact SD-CG 4.37Å; Q143-F147 VanDerWaalsContact O-CB 3.3Å; Q143-F147 WeakPolarHBondContact O-CB 3.32Å; Q143-F147 PolarHBondContact O-N 3.3Å; A144-F147 PolarHBondContact O-N 3.36Å; K145-F147 VanDerWaalsContact C-N 3.33Å; K145-F147 PolarHBondContact O-N 2.9Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E149 PolarHBondContact O-N 2.65Å; F147-S150 WeakPolarHBondContact CA-OG 3.26Å; F147-S150 PolarHBondContact O-N 3.42Å; F147-S150 VanDerWaalsContact O-N 3.14Å; F147-S150 PolarHBondContact O-OG 3.46Å; F147-A153 HydrophobicContact CD2-CB 4.3Å; F147-A153 HydrophobicContact CE1-CB 4.28Å; F147-A153 HydrophobicContact CE2-CB 3.69Å; F147-A153 HydrophobicContact CZ-CB 3.66Å; F147-N154 WeakPolarHBondContact CE2-O 3.38Å; F147-N154 WeakPolarHBondContact CZ-O 3.34Å; F147-I155 HydrophobicContact CE1-CG1 4.19Å; F147-I155 HydrophobicContact CZ-CG1 4.31Å |
| 148 | V | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | F120 K125 L128 I129 I132 A144 S150 A151 | F120-V148 HydrophobicContact CD1-CG1 4.03Å; F120-V148 HydrophobicContact CD2-CG1 3.92Å; F120-V148 HydrophobicContact CE1-CG1 3.81Å; F120-V148 WeakPolarHBondContact CE1-O 3.35Å; F120-V148 HydrophobicContact CE2-CG1 3.69Å; F120-V148 HydrophobicContact CG-CG1 4.1Å; F120-V148 HydrophobicContact CZ-CG1 3.63Å; F120-V148 WeakPolarHBondContact CZ-O 3.21Å; K125-V148 HydrophobicContact CG-CG1 4.13Å; L128-V148 HydrophobicContact CD2-CG1 3.8Å; L128-V148 HydrophobicContact CD2-CG2 4.29Å; L128-V148 HydrophobicContact CG-CG1 4.46Å; L128-V148 HydrophobicContact CG-CG2 4.23Å; I129-V148 HydrophobicContact CG1-CB 4.35Å; I129-V148 HydrophobicContact CG1-CG2 3.89Å; I132-V148 HydrophobicContact CD1-CG2 3.21Å; A144-V148 WeakPolarHBondContact O-CG2 3.34Å; A144-V148 PolarHBondContact O-N 3.22Å; V148-S150 PolarHBondContact O-N 2.86Å; V148-A151 WeakPolarHBondContact O-CB 3Å; V148-A151 PolarHBondContact O-N 3.43Å |
| 149 | E | 87.2 | Confident | 85.4 | Confident | 118 Ų | 118 | 66 Ų | 66 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.8 | -23.1 | 176.3 | -71.1 | 170 | -173.7 | 0 | 0 | 113.4 | K125 K145 K146 F147 A151 | K125-E149 IonicContact NZ-OE1 3.94Å; K125-E149 PolarHBondContact NZ-OE1 3.07Å; K145-E149 VanDerWaalsContact O-CG 3.31Å; K145-E149 WeakPolarHBondContact O-CG 3.45Å; K145-E149 PolarHBondContact O-N 2.67Å; K145-E149 VanDerWaalsContact O-N 3.14Å; K146-E149 PolarHBondContact O-N 2.69Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E149 PolarHBondContact O-N 2.65Å; E149-A151 PolarHBondContact O-N 2.73Å |
| 150 | S | 86.9 | Confident | 85.5 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 9.7 | 176.3 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | K146 F147 V148 | K146-S150 WeakPolarHBondContact O-CB 2.91Å; K146-S150 PolarHBondContact O-N 3.13Å; K146-S150 PolarHBondContact O-OG 3.48Å; F147-S150 WeakPolarHBondContact CA-OG 3.26Å; F147-S150 PolarHBondContact O-N 3.42Å; F147-S150 VanDerWaalsContact O-N 3.14Å; F147-S150 PolarHBondContact O-OG 3.46Å; V148-S150 PolarHBondContact O-N 2.86Å |
| 151 | A | 80.3 | Confident | 85.1 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | trans | -56.4 | 137.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | L117 F120 V148 E149 | L117-A151 HydrophobicContact CD2-CB 4.12Å; L117-A151 HydrophobicContact CG-CB 4.26Å; F120-A151 HydrophobicContact CD1-CB 3.92Å; F120-A151 HydrophobicContact CE1-CB 3.73Å; V148-A151 WeakPolarHBondContact O-CB 3Å; V148-A151 PolarHBondContact O-N 3.43Å; E149-A151 PolarHBondContact O-N 2.73Å | ||
| 152 | P | 84.9 | Confident | 85.1 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 70% | 0.701 | 37% | 0.365 | S | S | * | . | S | Bend | cis | -80.2 | 130.7 | 9.1 | 30.1 | -33.8 | 0 | 0 | 0 | 114.5 | L117 | L117-P152 CarbonylContact O-C 3.5Å; L117-P152 WeakPolarHBondContact O-CA 3.39Å |
| 153 | A | 85 | Confident | 84.9 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 F147 I155 | L117-A153 PolarHBondContact N-O 2.76Å; L117-A153 PolarHBondContact O-N 3.28Å; L117-A153 VanDerWaalsContact O-N 3.12Å; F147-A153 HydrophobicContact CD2-CB 4.3Å; F147-A153 HydrophobicContact CE1-CB 4.28Å; F147-A153 HydrophobicContact CE2-CB 3.69Å; F147-A153 HydrophobicContact CZ-CB 3.66Å; A153-I155 PolarHBondContact O-N 3Å |
| 154 | N | 87.2 | Confident | 84.7 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 118.9 | 176.1 | -66.6 | -76.3 | 0 | 0 | 0 | 110.2 | S114 K116 F147 T157 | S114-N154 PolarHBondContact OG-OD1 2.83Å; K116-N154 WeakPolarHBondContact CE-OD1 3.3Å; K116-N154 WeakPolarHBondContact CG-OD1 3.16Å; F147-N154 WeakPolarHBondContact CE2-O 3.38Å; F147-N154 WeakPolarHBondContact CZ-O 3.34Å; N154-T157 HydrophobicContact CB-CG2 4.31Å |
| 155 | I | 83.3 | Confident | 84.7 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -53.5 | 179.3 | -50.8 | -177.9 | 0 | 0 | 0 | 109.8 | V115 L117 V135 I136 F147 A153 L171 I178 | V115-I155 HydrophobicContact CG1-CD1 4.32Å; V115-I155 PolarHBondContact O-N 3.18Å; L117-I155 HydrophobicContact CB-CD1 3.94Å; L117-I155 HydrophobicContact CB-CG1 3.99Å; V135-I155 HydrophobicContact CG1-CG2 3.87Å; I136-I155 HydrophobicContact CD1-CG2 3.94Å; I136-I155 WeakPolarHBondContact CD1-O 3.16Å; I136-I155 HydrophobicContact CG1-CG2 4.33Å; F147-I155 HydrophobicContact CE1-CG1 4.19Å; F147-I155 HydrophobicContact CZ-CG1 4.31Å; A153-I155 PolarHBondContact O-N 3Å; I155-L171 HydrophobicContact CD1-CD1 3.32Å; I155-I178 HydrophobicContact CD1-CD1 4.47Å |
| 156 | K | 79.5 | Confident | 84.7 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 30% | 0.3 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.3 | 173.5 | -74.4 | -166.9 | 172.4 | 172.5 | 0 | 109.9 | V115 V135 I136 V159 I167 | V115-K156 PolarHBondContact N-O 2.73Å; V135-K156 HydrophobicContact CG1-CD 3.91Å; V135-K156 HydrophobicContact CG1-CG 4.09Å; V135-K156 WeakPolarHBondContact O-CE 3.41Å; V135-K156 PolarHBondContact O-NZ 3.27Å; I136-K156 HydrophobicContact CG1-CG 4.45Å; K156-V159 HydrophobicContact CB-CG1 3.64Å; K156-V159 HydrophobicContact CD-CG1 3.8Å; K156-V159 HydrophobicContact CG-CG1 4.37Å; K156-I167 HydrophobicContact CD-CD1 3.92Å |
| 157 | T | 81.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 153.8 | 171.5 | 62.5 | 0 | 0 | 0 | 0 | 109 | N154 V159 | N154-T157 HydrophobicContact CB-CG2 4.31Å; T157-V159 VanDerWaalsContact C-N 3.33Å; T157-V159 PolarHBondContact O-N 3.38Å |
| 158 | D | 78.7 | Confident | 84.6 | Confident | 115 Ų | 115 | 64.2 Ų | 64.2 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.1 | 38 | 175.9 | -55.2 | -72.2 | 0 | 0 | 0 | 114.3 | A112 F113 | A112-D158 WeakPolarHBondContact CB-OD1 3.27Å; F113-D158 PolarHBondContact O-N 2.89Å |
| 159 | V | 80.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 150.1 | 173.6 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | F113 V115 K156 T157 E163 A164 | F113-V159 HydrophobicContact CB-CG2 4.37Å; F113-V159 PolarHBondContact N-O 3.1Å; F113-V159 VanDerWaalsContact O-CG2 3.26Å; F113-V159 WeakPolarHBondContact O-CG2 3.19Å; F113-V159 PolarHBondContact O-N 3.31Å; F113-V159 VanDerWaalsContact O-N 3.13Å; V115-V159 HydrophobicContact CG2-CG2 3.75Å; K156-V159 HydrophobicContact CB-CG1 3.64Å; K156-V159 HydrophobicContact CD-CG1 3.8Å; K156-V159 HydrophobicContact CG-CG1 4.37Å; T157-V159 VanDerWaalsContact C-N 3.33Å; T157-V159 PolarHBondContact O-N 3.38Å; V159-E163 HydrophobicContact CB-CB 4.16Å; V159-A164 HydrophobicContact CG2-CB 3.83Å |
| 160 | S | 86.3 | Confident | 84.8 | Confident | 48 Ų | 48 | 67 Ų | 67 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | trans | -63.5 | 157.7 | 172.2 | 65 | 0 | 0 | 0 | 0 | 110.7 | D162 E163 A164 | S160-D162 PolarHBondContact O-N 3.27Å; S160-E163 PolarHBondContact O-N 3.43Å; S160-E163 WeakPolarHBondContact OG-CB 3.32Å; S160-E163 WeakPolarHBondContact OG-CG 3.43Å; S160-E163 PolarHBondContact OG-N 3.21Å; S160-A164 WeakPolarHBondContact O-CB 3.3Å; S160-A164 PolarHBondContact O-N 2.75Å | ||
| 161 | K | 81.3 | Confident | 84.8 | Confident | 118 Ų | 118 | 63.8 Ų | 63.8 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56 | -42 | 179.3 | -170.4 | -179.6 | 172.5 | -173 | 0 | 111.8 | F113 A164 E165 | F113-K161 HydrophobicContact CD2-CB 4.11Å; F113-K161 HydrophobicContact CE2-CB 3.63Å; F113-K161 HydrophobicContact CE2-CG 4.11Å; F113-K161 HydrophobicContact CZ-CB 4.24Å; F113-K161 HydrophobicContact CZ-CG 4.23Å; K161-A164 PolarHBondContact O-N 3.36Å; K161-E165 WeakPolarHBondContact CE-OE1 3.32Å; K161-E165 WeakPolarHBondContact O-CG 3.06Å; K161-E165 PolarHBondContact O-N 3.39Å |
| 162 | D | 86.6 | Confident | 85.2 | Confident | 111 Ų | 111 | 66.3 Ų | 66.3 | 59% | 0.594 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | -178.9 | -60.2 | -35 | 0 | 0 | 0 | 111.6 | S160 E165 Q166 | S160-D162 PolarHBondContact O-N 3.27Å; D162-E165 PolarHBondContact O-N 3.48Å; D162-Q166 WeakPolarHBondContact O-CB 3.44Å; D162-Q166 WeakPolarHBondContact O-CG 3.28Å; D162-Q166 PolarHBondContact O-N 2.95Å |
| 163 | E | 84.3 | Confident | 85.4 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.9 | -75 | 176.6 | -144 | 0 | 0 | 111.9 | V159 S160 E165 Q166 I167 | V159-E163 HydrophobicContact CB-CB 4.16Å; S160-E163 PolarHBondContact O-N 3.43Å; S160-E163 WeakPolarHBondContact OG-CB 3.32Å; S160-E163 WeakPolarHBondContact OG-CG 3.43Å; S160-E163 PolarHBondContact OG-N 3.21Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 3.23Å; E163-Q166 PolarHBondContact O-N 2.63Å; E163-I167 WeakPolarHBondContact O-CB 3.32Å; E163-I167 WeakPolarHBondContact O-CD1 3.4Å; E163-I167 VanDerWaalsContact O-CG1 3.22Å; E163-I167 WeakPolarHBondContact O-CG1 3.49Å; E163-I167 PolarHBondContact O-N 3.35Å |
| 164 | A | 84.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F113 V115 V159 S160 K161 K168 I180 | F113-A164 HydrophobicContact CB-CB 4.03Å; V115-A164 HydrophobicContact CG2-CB 3.8Å; V159-A164 HydrophobicContact CG2-CB 3.83Å; S160-A164 WeakPolarHBondContact O-CB 3.3Å; S160-A164 PolarHBondContact O-N 2.75Å; K161-A164 PolarHBondContact O-N 3.36Å; A164-K168 WeakPolarHBondContact O-CB 3.33Å; A164-K168 PolarHBondContact O-N 2.72Å; A164-I180 HydrophobicContact CB-CD1 4.1Å; A164-I180 HydrophobicContact CB-CG2 4.28Å |
| 165 | E | 88.2 | Confident | 85.1 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 176.6 | -72.9 | -174.4 | -166.3 | 0 | 0 | 112.7 | K161 D162 E163 K169 | K161-E165 WeakPolarHBondContact CE-OE1 3.32Å; K161-E165 WeakPolarHBondContact O-CG 3.06Å; K161-E165 PolarHBondContact O-N 3.39Å; D162-E165 PolarHBondContact O-N 3.48Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 3.23Å; E165-K169 WeakPolarHBondContact O-CB 3.21Å; E165-K169 VanDerWaalsContact O-CG 3.27Å; E165-K169 WeakPolarHBondContact O-CG 3.18Å; E165-K169 PolarHBondContact O-N 3.47Å |
| 166 | Q | 88.8 | Confident | 85.3 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63 | -49 | 174.1 | -74.8 | 171.4 | 7.8 | 0 | 0 | 111.4 | D162 E163 K168 K169 V170 | D162-Q166 WeakPolarHBondContact O-CB 3.44Å; D162-Q166 WeakPolarHBondContact O-CG 3.28Å; D162-Q166 PolarHBondContact O-N 2.95Å; E163-Q166 PolarHBondContact O-N 2.63Å; Q166-K168 VanDerWaalsContact C-N 3.33Å; Q166-K168 PolarHBondContact O-N 2.7Å; Q166-K169 PolarHBondContact O-N 3.12Å; Q166-V170 WeakPolarHBondContact O-CG2 3.29Å; Q166-V170 PolarHBondContact O-N 2.8Å |
| 167 | I | 87.7 | Confident | 85.6 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 178.2 | -67.5 | 166.1 | 0 | 0 | 0 | 110.4 | V115 V135 K156 E163 L171 | V115-I167 HydrophobicContact CG1-CG2 3.88Å; V135-I167 HydrophobicContact CG1-CD1 3.96Å; V135-I167 HydrophobicContact CG1-CG1 4.22Å; V135-I167 HydrophobicContact CG1-CG2 4.35Å; V135-I167 HydrophobicContact CG2-CG1 4.35Å; V135-I167 HydrophobicContact CG2-CG2 4.39Å; K156-I167 HydrophobicContact CD-CD1 3.92Å; E163-I167 WeakPolarHBondContact O-CB 3.32Å; E163-I167 WeakPolarHBondContact O-CD1 3.4Å; E163-I167 VanDerWaalsContact O-CG1 3.22Å; E163-I167 WeakPolarHBondContact O-CG1 3.49Å; E163-I167 PolarHBondContact O-N 3.35Å; I167-L171 HydrophobicContact CG2-CD1 3.45Å; I167-L171 VanDerWaalsContact CG2-CD1 3.45Å; I167-L171 HydrophobicContact CG2-CG 4.3Å; I167-L171 WeakPolarHBondContact O-CB 3.24Å; I167-L171 VanDerWaalsContact O-CG 3.27Å; I167-L171 WeakPolarHBondContact O-CG 3.46Å; I167-L171 PolarHBondContact O-N 2.72Å; I167-L171 VanDerWaalsContact O-N 3.08Å |
| 168 | K | 86.6 | Confident | 85.9 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 175.7 | 178.4 | 178.5 | 177.4 | -173.1 | 0 | 111.5 | A164 Q166 L171 E172 I178 I180 | A164-K168 WeakPolarHBondContact O-CB 3.33Å; A164-K168 PolarHBondContact O-N 2.72Å; Q166-K168 VanDerWaalsContact C-N 3.33Å; Q166-K168 PolarHBondContact O-N 2.7Å; K168-L171 PolarHBondContact O-N 3.13Å; K168-E172 WeakPolarHBondContact CE-OE1 3.4Å; K168-E172 WeakPolarHBondContact CE-OE2 3.42Å; K168-E172 HydrophobicContact CG-CG 4.17Å; K168-E172 IonicContact NZ-OE1 2.85Å; K168-E172 VanDerWaalsContact O-CB 3.24Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 VanDerWaalsContact O-CG 3.25Å; K168-E172 WeakPolarHBondContact O-CG 3.29Å; K168-E172 PolarHBondContact O-N 2.69Å; K168-I178 HydrophobicContact CB-CG2 4.14Å; K168-I178 HydrophobicContact CG-CB 4.16Å; K168-I178 HydrophobicContact CG-CG2 4.07Å; K168-I180 HydrophobicContact CB-CD1 4.04Å; K168-I180 HydrophobicContact CD-CD1 3.6Å; K168-I180 HydrophobicContact CD-CG1 4.09Å; K168-I180 HydrophobicContact CG-CD1 4.4Å |
| 169 | K | 90 | Very high | 86.1 | Confident | 123 Ų | 123 | 58 Ų | 58 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -52.4 | 179.3 | -75.3 | 171.3 | -176.4 | 172.1 | 0 | 112 | E165 Q166 L171 E172 E173 | E165-K169 WeakPolarHBondContact O-CB 3.21Å; E165-K169 VanDerWaalsContact O-CG 3.27Å; E165-K169 WeakPolarHBondContact O-CG 3.18Å; E165-K169 PolarHBondContact O-N 3.47Å; Q166-K169 PolarHBondContact O-N 3.12Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.36Å; K169-E172 PolarHBondContact O-N 3.08Å; K169-E173 VanDerWaalsContact O-CG 3.31Å; K169-E173 WeakPolarHBondContact O-CG 3.37Å; K169-E173 PolarHBondContact O-N 2.83Å |
| 170 | V | 89.3 | Confident | 86.2 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | -177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | E131 Q166 V174 | E131-V170 HydrophobicContact CB-CG1 4.32Å; E131-V170 HydrophobicContact CG-CG1 3.94Å; E131-V170 WeakPolarHBondContact OE2-CG1 3.03Å; Q166-V170 WeakPolarHBondContact O-CG2 3.29Å; Q166-V170 PolarHBondContact O-N 2.8Å; V170-V174 WeakPolarHBondContact O-CG2 3.36Å; V170-V174 PolarHBondContact O-N 2.99Å |
| 171 | L | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.2 | -32.6 | -177.7 | -65.1 | 172.1 | 0 | 0 | 0 | 112.3 | L128 E131 I132 I155 I167 K168 K169 V174 G175 A176 I178 | L128-L171 HydrophobicContact CD1-CD2 3.46Å; L128-L171 VanDerWaalsContact CD1-CD2 3.46Å; E131-L171 HydrophobicContact CB-CD2 3.49Å; E131-L171 VanDerWaalsContact CB-CD2 3.49Å; E131-L171 HydrophobicContact CG-CD2 4.35Å; I132-L171 HydrophobicContact CG1-CD2 4.27Å; I155-L171 HydrophobicContact CD1-CD1 3.32Å; I167-L171 HydrophobicContact CG2-CD1 3.45Å; I167-L171 VanDerWaalsContact CG2-CD1 3.45Å; I167-L171 HydrophobicContact CG2-CG 4.3Å; I167-L171 WeakPolarHBondContact O-CB 3.24Å; I167-L171 VanDerWaalsContact O-CG 3.27Å; I167-L171 WeakPolarHBondContact O-CG 3.46Å; I167-L171 PolarHBondContact O-N 2.72Å; I167-L171 VanDerWaalsContact O-N 3.08Å; K168-L171 PolarHBondContact O-N 3.13Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.36Å; L171-V174 CarbonylContact O-C 3.6Å; L171-V174 PolarHBondContact O-N 3.18Å; L171-G175 PolarHBondContact O-N 3.25Å; L171-A176 HydrophobicContact CB-CB 4.12Å; L171-A176 VanDerWaalsContact O-CB 3.25Å; L171-A176 WeakPolarHBondContact O-CB 3.44Å; L171-A176 PolarHBondContact O-N 2.79Å; L171-I178 HydrophobicContact CB-CD1 3.22Å; L171-I178 HydrophobicContact CB-CG1 4.39Å; L171-I178 HydrophobicContact CD1-CD1 3.35Å; L171-I178 HydrophobicContact CG-CD1 3.88Å |
| 172 | E | 87.1 | Confident | 86 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 172.9 | -76.2 | -178 | 165.5 | 0 | 0 | 112.5 | K168 K169 V174 G175 A176 | K168-E172 WeakPolarHBondContact CE-OE1 3.4Å; K168-E172 WeakPolarHBondContact CE-OE2 3.42Å; K168-E172 HydrophobicContact CG-CG 4.17Å; K168-E172 IonicContact NZ-OE1 2.85Å; K168-E172 VanDerWaalsContact O-CB 3.24Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 VanDerWaalsContact O-CG 3.25Å; K168-E172 WeakPolarHBondContact O-CG 3.29Å; K168-E172 PolarHBondContact O-N 2.69Å; K169-E172 PolarHBondContact O-N 3.08Å; E172-V174 PolarHBondContact O-N 3.17Å; E172-G175 WeakPolarHBondContact O-CA 3.46Å; E172-G175 PolarHBondContact O-N 3.36Å; E172-A176 WeakPolarHBondContact CA-O 3.32Å; E172-A176 WeakPolarHBondContact CG-O 3.48Å |
| 173 | E | 88.8 | Confident | 86 | Confident | 148 Ų | 148 | 59.8 Ų | 59.8 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.2 | -38.7 | 171.4 | -75.8 | 175 | -172.3 | 0 | 0 | 111.6 | K124 K169 G175 | K124-E173 PolarHBondContact NZ-O 3.4Å; K169-E173 VanDerWaalsContact O-CG 3.31Å; K169-E173 WeakPolarHBondContact O-CG 3.37Å; K169-E173 PolarHBondContact O-N 2.83Å; E173-G175 PolarHBondContact O-N 3.49Å |
| 174 | V | 85.3 | Confident | 86.1 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 2.4 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | K124 Q127 L128 E131 V170 L171 E172 | K124-V174 HydrophobicContact CB-CG1 4.43Å; K124-V174 WeakPolarHBondContact CB-O 3.4Å; K124-V174 WeakPolarHBondContact CD-O 3.45Å; Q127-V174 HydrophobicContact CB-CG1 3.37Å; Q127-V174 HydrophobicContact CB-CG2 4.41Å; L128-V174 HydrophobicContact CB-CG1 4.03Å; L128-V174 VanDerWaalsContact N-CG1 3.26Å; E131-V174 HydrophobicContact CG-CB 4.49Å; E131-V174 HydrophobicContact CG-CG2 3.73Å; V170-V174 WeakPolarHBondContact O-CG2 3.36Å; V170-V174 PolarHBondContact O-N 2.99Å; L171-V174 CarbonylContact O-C 3.6Å; L171-V174 PolarHBondContact O-N 3.18Å; E172-V174 PolarHBondContact O-N 3.17Å |
| 175 | G | 81.8 | Confident | 86.2 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 24.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | D121 L171 E172 E173 | D121-G175 PolarHBondContact N-O 2.87Å; L171-G175 PolarHBondContact O-N 3.25Å; E172-G175 WeakPolarHBondContact O-CA 3.46Å; E172-G175 PolarHBondContact O-N 3.36Å; E173-G175 PolarHBondContact O-N 3.49Å |
| 176 | A | 87.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 153.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L117 K119 L128 L171 E172 | L117-A176 HydrophobicContact CD1-CB 3.56Å; K119-A176 CarbonylContact O-C 3.6Å; L128-A176 HydrophobicContact CD1-CB 3.8Å; L128-A176 HydrophobicContact CD2-CB 4.27Å; L171-A176 HydrophobicContact CB-CB 4.12Å; L171-A176 VanDerWaalsContact O-CB 3.25Å; L171-A176 WeakPolarHBondContact O-CB 3.44Å; L171-A176 PolarHBondContact O-N 2.79Å; E172-A176 WeakPolarHBondContact CA-O 3.32Å; E172-A176 WeakPolarHBondContact CG-O 3.48Å |
| 177 | S | 85.9 | Confident | 85.9 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121 | 169.5 | 179.1 | 0 | 0 | 0 | 0 | 108 | V118 K119 | V118-S177 PolarHBondContact N-O 3.2Å; K119-S177 PolarHBondContact N-O 2.9Å; K119-S177 PolarHBondContact O-N 2.79Å |
| 178 | I | 86.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.6 | -174.1 | -72.6 | 173 | 0 | 0 | 0 | 110.7 | V115 K116 I155 K168 L171 I180 | V115-I178 HydrophobicContact CG1-CD1 4.39Å; V115-I178 HydrophobicContact CG1-CG2 3.55Å; K116-I178 WeakPolarHBondContact O-CA 3.37Å; I155-I178 HydrophobicContact CD1-CD1 4.47Å; K168-I178 HydrophobicContact CB-CG2 4.14Å; K168-I178 HydrophobicContact CG-CB 4.16Å; K168-I178 HydrophobicContact CG-CG2 4.07Å; L171-I178 HydrophobicContact CB-CD1 3.22Å; L171-I178 HydrophobicContact CB-CG1 4.39Å; L171-I178 HydrophobicContact CD1-CD1 3.35Å; L171-I178 HydrophobicContact CG-CD1 3.88Å; I178-I180 HydrophobicContact CG2-CG1 4.26Å |
| 179 | A | 84.1 | Confident | 85.7 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K116 V118 | K116-A179 PolarHBondContact N-O 3.11Å; K116-A179 PolarHBondContact O-N 2.93Å; V118-A179 HydrophobicContact CG2-CB 3.49Å; V118-A179 VanDerWaalsContact CG2-CB 3.49Å |
| 180 | I | 80.7 | Confident | 85.3 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.2 | 166.9 | -57.4 | 176.2 | 0 | 0 | 0 | 105.6 | F113 A164 K168 I178 | F113-I180 HydrophobicContact CB-CG2 3.85Å; F113-I180 HydrophobicContact CD1-CG2 3.62Å; F113-I180 HydrophobicContact CG-CG2 4.08Å; A164-I180 HydrophobicContact CB-CD1 4.1Å; A164-I180 HydrophobicContact CB-CG2 4.28Å; K168-I180 HydrophobicContact CB-CD1 4.04Å; K168-I180 HydrophobicContact CD-CD1 3.6Å; K168-I180 HydrophobicContact CD-CG1 4.09Å; K168-I180 HydrophobicContact CG-CD1 4.4Å; I178-I180 HydrophobicContact CG2-CG1 4.26Å |
| 181 | E | 79.1 | Confident | 85 | Confident | 147 Ų | 147 | 53.1 Ų | 53.1 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | trans | -114.5 | 0 | 174.1 | -72.4 | 179.3 | -150.1 | 0 | 0 | 111.5 | F113 S114 K116 | F113-E181 CarbonylContact C-O 3.59Å; F113-E181 VanDerWaalsContact CA-O 3.29Å; F113-E181 WeakPolarHBondContact CA-O 3.27Å; S114-E181 PolarHBondContact N-O 3.13Å; S114-E181 PolarHBondContact O-N 3.18Å; K116-E181 WeakPolarHBondContact CE-OE2 3.44Å; K116-E181 IonicContact NZ-OE1 2.6Å; K116-E181 PolarHBondContact NZ-OE1 3.36Å; K116-E181 IonicContact NZ-OE2 2.62Å; K116-E181 PolarHBondContact NZ-OE2 3.3Å |
Retrieved 181 of 181 residues in 53.2 ms
(Link to these results)