| 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 | 36.5 | Very low | 33.3 | Very low | 231 Ų | 231 | 129.6 Ų | 129.6 | 100% | 1.138 | 84% | 0.84 | S | S | * | * | 0 | 84.8 | 0 | -65 | 169.8 | 162.7 | 0 | 0 | 105.9 | |||||
| 2 | T | 34.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | 45 | 120 | 66.9 | 72.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 3 | T | 29.2 | Very low | 32.9 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | cis | -166.9 | 147.4 | 40.4 | 40.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | G | 29.1 | Very low | 32.7 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | 86.6 | 139.7 | 92.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 5 | G | 29.1 | Very low | 32.5 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | 170.4 | 147.3 | 7 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 6 | C | 37.7 | Very low | 32.4 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 86% | 0.858 | 82% | 0.819 | S | S | * | * | trans | -56.1 | 144.6 | 165.5 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | C | 33.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 127 Ų | 127 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | 178.7 | 132.5 | 147.5 | -94.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 8 | H | 29.5 | Very low | 32.5 | Very low | 174 Ų | 174 | 124.3 Ų | 124.3 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | 83.9 | 108.7 | 148 | -84 | -88.1 | 0 | 0 | 0 | 122 | ||||
| 9 | L | 36.2 | Very low | 32.4 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -62.2 | 147.4 | 132.5 | -98.9 | 85.5 | 0 | 0 | 0 | 108.8 | ||||
| 10 | P | 35.8 | Very low | 32.4 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | -146.2 | 170.2 | 80.7 | 32.5 | -10.5 | 0 | 0 | 0 | 114.5 | |||||
| 11 | G | 36.2 | Very low | 32.5 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 158.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 12 | S | 26.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -159.1 | 142.8 | 149.4 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 13 | L | 35 | Very low | 32.6 | Very low | 134 Ų | 134 | 121 Ų | 121 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -34.2 | 132.3 | -177.3 | -80 | 66.6 | 0 | 0 | 0 | 116.1 | ||||
| 14 | C | 30.5 | Very low | 32.9 | Very low | 121 Ų | 121 | 123 Ų | 123 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -103.5 | 103.6 | 142.9 | -52.2 | 0 | 0 | 0 | 0 | 106.6 | C16 | C14-C16 PolarHBondContact O-N 3.31Å; C14-C16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | D | 29.6 | Very low | 33.4 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -58.6 | 109.7 | 168.4 | -76.5 | -50.9 | 0 | 0 | 0 | 109.5 | ||||
| 16 | C | 31 | Very low | 34.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -120.8 | 90 | 158.5 | -77 | 0 | 0 | 0 | 0 | 106.8 | C14 G18 | C14-C16 PolarHBondContact O-N 3.31Å; C14-C16 VanDerWaalsContact O-N 3.1Å; C16-G18 PolarHBondContact O-N 3.18Å | ||
| 17 | A | 30 | Very low | 34.2 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -61.4 | 127 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 18 | G | 35.5 | Very low | 34.3 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 92.7 | 75.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | C16 | C16-G18 PolarHBondContact O-N 3.18Š| ||
| 19 | A | 31.6 | Very low | 34.7 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -158.7 | 92 | 136.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G21 | A19-G21 VanDerWaalsContact C-N 3.3Å; A19-G21 PolarHBondContact O-N 3.42Å | ||
| 20 | A | 31.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 125 Ų | 125 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -62.4 | 97.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | M22 | A20-M22 PolarHBondContact O-N 3.01Š| ||
| 21 | G | 35 | Very low | 34.5 | Very low | 50 Ų | 50 | 122.9 Ų | 122.9 | 52% | 0.515 | 79% | 0.785 | S | S | . | * | trans | -60.7 | 104 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A19 W23 | A19-G21 VanDerWaalsContact C-N 3.3Å; A19-G21 PolarHBondContact O-N 3.42Å; G21-W23 PolarHBondContact O-N 3.33Å | ||
| 22 | M | 35.7 | Very low | 34.8 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 84% | 0.837 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 97.7 | 175.4 | -171.9 | 85.6 | 70.1 | 0 | 0 | 108.3 | A20 K24 | A20-M22 PolarHBondContact O-N 3.01Å; M22-K24 VanDerWaalsContact C-N 3.33Å; M22-K24 PolarHBondContact O-N 3.3Å | ||
| 23 | W | 37 | Very low | 35.5 | Very low | 238 Ų | 238 | 127.6 Ų | 127.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -67.3 | 95.4 | 165.8 | -1.1 | 73.9 | 0 | 0 | 0 | 107.5 | G21 | G21-W23 PolarHBondContact O-N 3.33Š| ||
| 24 | K | 35.1 | Very low | 35.7 | Very low | 174 Ų | 174 | 127 Ų | 127 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -93.3 | 100.6 | 173.5 | -162.8 | 171.6 | -175.7 | 178.8 | 0 | 108.2 | M22 V26 | M22-K24 VanDerWaalsContact C-N 3.33Å; M22-K24 PolarHBondContact O-N 3.3Å; K24-V26 PolarHBondContact O-N 3Å | ||
| 25 | I | 40.4 | Very low | 36.2 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -68.2 | 117.9 | 164.2 | -61.2 | 172.2 | 0 | 0 | 0 | 105.8 | E27 | I25-E27 HydrophobicContact CG2-CG 4.15Š| ||
| 26 | V | 44.3 | Very low | 37.1 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | trans | -92 | 107.3 | 170.6 | 172.3 | 0 | 0 | 0 | 0 | 106.4 | K24 E28 | K24-V26 PolarHBondContact O-N 3Å; V26-E28 HydrophobicContact CG1-CG 4.35Å | ||
| 27 | E | 39.6 | Very low | 38 | Very low | 183 Ų | 183 | 121.5 Ų | 121.5 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -89.3 | 114.4 | 164.3 | -68.9 | -160 | 124.3 | 0 | 0 | 108.3 | I25 | I25-E27 HydrophobicContact CG2-CG 4.15Š| ||
| 28 | E | 34.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -88.8 | 127 | 166.5 | -86 | -75.1 | 151.9 | 0 | 0 | 108.5 | V26 | V26-E28 HydrophobicContact CG1-CG 4.35Š| ||
| 29 | A | 38.2 | Very low | 40.4 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -89.4 | 111.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | G | 34.1 | Very low | 42.1 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 70% | 0.701 | S | S | * | * | trans | 137.9 | 119.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 31 | G | 34.1 | Very low | 43.6 | Very low | 75 Ų | 75 | 120.9 Ų | 120.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 96.7 | 136.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G33 | G31-G33 PolarHBondContact O-N 3.47Š|
| 32 | E | 41.8 | Very low | 44.8 | Very low | 213 Ų | 213 | 122.9 Ų | 122.9 | 100% | 0.995 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -41.8 | 117.7 | -172.4 | -71.3 | 160.5 | 100.4 | 0 | 0 | 115.3 | ||
| 33 | G | 41.5 | Very low | 46.6 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | 120.4 | 69.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G31 Q35 | G31-G33 PolarHBondContact O-N 3.47Å; G33-Q35 PolarHBondContact O-N 3.15Å | ||
| 34 | C | 39 | Very low | 48.1 | Very low | 121 Ų | 121 | 109 Ų | 109 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | -67.1 | 100.6 | 173.5 | -92.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 35 | Q | 40.3 | Very low | 49.7 | Very low | 115 Ų | 115 | 110 Ų | 110 | 54% | 0.537 | 66% | 0.655 | S | S | . | * | trans | -95 | 104.8 | 166.3 | -168.5 | 163.1 | 49.1 | 0 | 0 | 108.8 | G33 L37 P56 | G33-Q35 PolarHBondContact O-N 3.15Å; Q35-L37 PolarHBondContact O-N 3.08Å; Q35-P56 HydrophobicContact CG-CB 4.41Å | ||
| 36 | A | 48.6 | Very low | 51.3 | Low | 64 Ų | 64 | 108.3 Ų | 108.3 | 53% | 0.529 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 116.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M57 | A36-M57 HydrophobicContact CB-CB 4.48Å; A36-M57 WeakPolarHBondContact O-CB 3.33Å; A36-M57 PolarHBondContact O-N 3.5Å |
| 37 | L | 50.8 | Low | 52.4 | Low | 89 Ų | 89 | 106.6 Ų | 106.6 | 47% | 0.466 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 117.6 | 174.3 | -89.1 | 149.7 | 0 | 0 | 0 | 107.8 | Q35 L54 | Q35-L37 PolarHBondContact O-N 3.08Å; L37-L54 HydrophobicContact CD2-CB 4.2Å; L37-L54 HydrophobicContact CD2-CD2 4.36Å |
| 38 | Y | 57.3 | Low | 53.5 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 44% | 0.443 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.6 | 168.6 | 74.1 | -91.7 | 0 | 0 | 0 | 108.9 | T40 K55 | Y38-T40 HydrophobicContact CD2-CG2 4.17Å; Y38-T40 HydrophobicContact CE2-CG2 4.22Å; Y38-K55 HydrophobicContact CE1-CB 3.88Å; Y38-K55 HydrophobicContact CE1-CD 4.39Å; Y38-K55 HydrophobicContact CE2-CB 4.44Å; Y38-K55 WeakPolarHBondContact OH-CD 3.42Å |
| 39 | V | 57.8 | Low | 54.9 | Low | 65 Ų | 65 | 102.7 Ų | 102.7 | 39% | 0.394 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.9 | -179.2 | -167.2 | 0 | 0 | 0 | 0 | 108.1 | Q41 L54 | V39-Q41 HydrophobicContact CG1-CG 3.88Å; V39-L54 HydrophobicContact CB-CD2 4.44Å; V39-L54 HydrophobicContact CG1-CD2 4.22Å; V39-L54 HydrophobicContact CG2-CD2 3.62Å |
| 40 | T | 66.3 | Low | 56.1 | Low | 76 Ų | 76 | 103.6 Ų | 103.6 | 47% | 0.466 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.7 | 166.6 | 49.5 | 0 | 0 | 0 | 0 | 108.5 | Y38 V53 | Y38-T40 HydrophobicContact CD2-CG2 4.17Å; Y38-T40 HydrophobicContact CE2-CG2 4.22Å; T40-V53 PolarHBondContact O-N 3.07Å |
| 41 | Q | 64.6 | Low | 57.1 | Low | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104 | 131.4 | 175.9 | -62.7 | -171.4 | 17.9 | 0 | 0 | 109.4 | V39 L49 | V39-Q41 HydrophobicContact CG1-CG 3.88Å; Q41-L49 HydrophobicContact CB-CD1 3.92Å; Q41-L49 HydrophobicContact CG-CD1 4.17Å |
| 42 | V | 60.2 | Low | 58.5 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 112.3 | 171 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | L50 S51 | V42-L50 PolarHBondContact O-N 3.09Å; V42-S51 PolarHBondContact N-O 2.81Å |
| 43 | T | 73.8 | Confident | 59.5 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.4 | 174.6 | 29.3 | 0 | 0 | 0 | 0 | 110.5 | L49 | T43-L49 HydrophobicContact CG2-CD1 4.08Å |
| 44 | A | 67.9 | Low | 60.5 | Low | 28 Ų | 28 | 98 Ų | 98 | 23% | 0.231 | 55% | 0.552 | C | S | . | * | trans | -71.5 | 160.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D46 G47 R48 L50 | A44-D46 WeakPolarHBondContact CB-OD1 3.47Å; A44-D46 PolarHBondContact O-N 2.97Å; A44-D46 VanDerWaalsContact O-N 3.14Å; A44-G47 PolarHBondContact O-N 2.63Å; A44-R48 PolarHBondContact N-O 3.07Å; A44-L50 HydrophobicContact CB-CD1 3.89Å; A44-L50 HydrophobicContact CB-CD2 4.26Å; A44-L50 HydrophobicContact CB-CG 3.93Å | ||
| 45 | L | 68.7 | Low | 61.3 | Low | 195 Ų | 195 | 98.1 Ų | 98.1 | 100% | 1.021 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.1 | 179.6 | -77.5 | 157.3 | 0 | 0 | 0 | 113.6 | G47 | L45-G47 VanDerWaalsContact C-N 3.29Š|
| 46 | D | 74.3 | Confident | 61.7 | Low | 112 Ų | 112 | 95.9 Ų | 95.9 | 60% | 0.599 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6.8 | 175 | 67.1 | -11.5 | 0 | 0 | 0 | 113.3 | A44 R48 | A44-D46 WeakPolarHBondContact CB-OD1 3.47Å; A44-D46 PolarHBondContact O-N 2.97Å; A44-D46 VanDerWaalsContact O-N 3.14Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 3.37Å; D46-R48 WeakPolarHBondContact OD1-CB 3.45Å; D46-R48 PolarHBondContact OD1-N 3.17Å; D46-R48 VanDerWaalsContact OD1-N 3.14Å |
| 47 | G | 66.3 | Low | 61.6 | Low | 61 Ų | 61 | 97.6 Ų | 97.6 | 63% | 0.629 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 79.6 | 4.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A44 L45 | A44-G47 PolarHBondContact O-N 2.63Å; L45-G47 VanDerWaalsContact C-N 3.29Å |
| 48 | R | 63 | Low | 61.4 | Low | 181 Ų | 181 | 97.1 Ų | 97.1 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | trans | -78.1 | 132 | 174.3 | -81.7 | 179 | 148 | 178.9 | -5.5 | 111.5 | A44 D46 L50 | A44-R48 PolarHBondContact N-O 3.07Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 3.37Å; D46-R48 WeakPolarHBondContact OD1-CB 3.45Å; D46-R48 PolarHBondContact OD1-N 3.17Å; D46-R48 VanDerWaalsContact OD1-N 3.14Å; R48-L50 PolarHBondContact O-N 3.34Å | ||
| 49 | L | 65.2 | Low | 61.1 | Low | 91 Ų | 91 | 98.9 Ų | 98.9 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 117.4 | 173 | -170 | 81.9 | 0 | 0 | 0 | 109.3 | Q41 T43 | Q41-L49 HydrophobicContact CB-CD1 3.92Å; Q41-L49 HydrophobicContact CG-CD1 4.17Å; T43-L49 HydrophobicContact CG2-CD1 4.08Å |
| 50 | L | 62.3 | Low | 60.9 | Low | 122 Ų | 122 | 102.6 Ų | 102.6 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88 | -39 | -179.4 | -68.7 | 176.2 | 0 | 0 | 0 | 112.1 | V42 A44 R48 | V42-L50 PolarHBondContact O-N 3.09Å; A44-L50 HydrophobicContact CB-CD1 3.89Å; A44-L50 HydrophobicContact CB-CD2 4.26Å; A44-L50 HydrophobicContact CB-CG 3.93Å; R48-L50 PolarHBondContact O-N 3.34Å |
| 51 | S | 54.9 | Low | 60.3 | Low | 68 Ų | 68 | 103.1 Ų | 103.1 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -165.9 | 145.7 | 177.1 | -163.1 | 0 | 0 | 0 | 0 | 111.7 | V42 | V42-S51 PolarHBondContact N-O 2.81Å |
| 52 | S | 63.2 | Low | 60.2 | Low | 63 Ų | 63 | 105.8 Ų | 105.8 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.8 | 166.9 | 54 | 0 | 0 | 0 | 0 | 109.2 | ||
| 53 | V | 63.9 | Low | 60.7 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 113.5 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | T40 | T40-V53 PolarHBondContact O-N 3.07Å |
| 54 | L | 62.1 | Low | 61 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 105.5 | 169.9 | -68.1 | 166.7 | 0 | 0 | 0 | 107.4 | L37 V39 | L37-L54 HydrophobicContact CD2-CB 4.2Å; L37-L54 HydrophobicContact CD2-CD2 4.36Å; V39-L54 HydrophobicContact CB-CD2 4.44Å; V39-L54 HydrophobicContact CG1-CD2 4.22Å; V39-L54 HydrophobicContact CG2-CD2 3.62Å |
| 55 | K | 55.5 | Low | 62 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 54% | 0.535 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.2 | 171.8 | -155.5 | 176 | -169.2 | 177.9 | 0 | 108.5 | Y38 M57 | Y38-K55 HydrophobicContact CE1-CB 3.88Å; Y38-K55 HydrophobicContact CE1-CD 4.39Å; Y38-K55 HydrophobicContact CE2-CB 4.44Å; Y38-K55 WeakPolarHBondContact OH-CD 3.42Å; K55-M57 PolarHBondContact O-N 2.65Å |
| 56 | P | 49.1 | Very low | 63 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 121.7 | 170 | 23.6 | -29.2 | 0 | 0 | 0 | 107.9 | Q35 S58 | Q35-P56 HydrophobicContact CG-CB 4.41Å; P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 2.84Å |
| 57 | M | 47.3 | Very low | 63.8 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 49% | 0.493 | 51% | 0.514 | S | S | . | . | trans | -71.9 | 97.7 | 165.2 | -156 | 168.3 | -167.1 | 0 | 0 | 105 | A36 K55 I59 | A36-M57 HydrophobicContact CB-CB 4.48Å; A36-M57 WeakPolarHBondContact O-CB 3.33Å; A36-M57 PolarHBondContact O-N 3.5Å; K55-M57 PolarHBondContact O-N 2.65Å; M57-I59 PolarHBondContact O-N 2.73Å | ||
| 58 | S | 46.8 | Very low | 65 | Low | 79 Ų | 79 | 91.5 Ų | 91.5 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | trans | -52.7 | 130.5 | 157.3 | 46 | 0 | 0 | 0 | 0 | 105.6 | P56 Q60 | P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 2.84Å; S58-Q60 PolarHBondContact O-N 3.07Å | ||
| 59 | I | 49.4 | Very low | 66.3 | Low | 149 Ų | 149 | 85 Ų | 85 | 76% | 0.764 | 48% | 0.48 | S | S | * | . | trans | -54.8 | 97 | 164.6 | -62.6 | 165.2 | 0 | 0 | 0 | 103.7 | M57 S61 | M57-I59 PolarHBondContact O-N 2.73Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 3.05Å | ||
| 60 | Q | 53.3 | Low | 67.5 | Low | 143 Ų | 143 | 87.2 Ų | 87.2 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | trans | -61.9 | 106.5 | 168.3 | -77.8 | 175.9 | 68.2 | 0 | 0 | 102.3 | S58 D62 | S58-Q60 PolarHBondContact O-N 3.07Å; Q60-D62 PolarHBondContact O-N 3.17Å | ||
| 61 | S | 54.1 | Low | 68.7 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | trans | -45.3 | 120.3 | 157.1 | 50.2 | 0 | 0 | 0 | 0 | 105.1 | I59 G63 | I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 3.05Å; S61-G63 PolarHBondContact O-N 2.83Å | ||
| 62 | D | 62.5 | Low | 69.7 | Low | 180 Ų | 180 | 85.4 Ų | 85.4 | 96% | 0.963 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -68.6 | 43.2 | -176.8 | -159.5 | 21 | 0 | 0 | 0 | 111.2 | Q60 | Q60-D62 PolarHBondContact O-N 3.17Š|
| 63 | G | 71.6 | Confident | 69.9 | Low | 37 Ų | 37 | 86 Ų | 86 | 38% | 0.381 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -112.5 | 164.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S61 I65 | S61-G63 PolarHBondContact O-N 2.83Å; G63-I65 PolarHBondContact O-N 3.1Å |
| 64 | P | 79.2 | Confident | 70 | Confident | 75 Ų | 75 | 84 Ų | 84 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | trans | -61.1 | 136.1 | -177.2 | 25.5 | -33.6 | 0 | 0 | 0 | 111.4 | L78 T90 | P64-L78 HydrophobicContact CB-CD2 4.35Å; P64-L78 HydrophobicContact CG-CD1 4.5Å; P64-L78 WeakPolarHBondContact O-CD1 3.42Å; P64-L78 WeakPolarHBondContact O-CD2 3.31Å; P64-T90 HydrophobicContact CB-CG2 3.89Å | ||
| 65 | I | 89.1 | Confident | 70.1 | Confident | 66 Ų | 66 | 85.4 Ų | 85.4 | 34% | 0.338 | 50% | 0.502 | S | S | . | . | trans | -105 | 151.1 | 174.1 | 60.5 | 167.8 | 0 | 0 | 0 | 110.7 | G63 R67 T90 | G63-I65 PolarHBondContact O-N 3.1Å; I65-R67 PolarHBondContact O-N 3.14Å; I65-T90 PolarHBondContact O-OG1 2.93Å | ||
| 66 | C | 90.7 | Very high | 71.1 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 49% | 0.489 | C | S | . | . | trans | -73.3 | 126.6 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | I68 C69 H70 E71 L78 T90 H92 | C66-I68 PolarHBondContact O-N 3.2Å; C66-I68 VanDerWaalsContact O-N 3.11Å; C66-I68 PolarHBondContact SG-N 3.17Å; C66-C69 VanDerWaalsContact CB-SG 3.54Å; C66-C69 VanDerWaalsContact SG-SG 3.61Å; C66-H70 WeakPolarHBondContact O-CA 3.22Å; C66-H70 PolarHBondContact O-N 2.88Å; C66-E71 VanDerWaalsContact CB-O 3.29Å; C66-E71 WeakPolarHBondContact CB-O 3.31Å; C66-E71 PolarHBondContact N-O 3.3Å; C66-L78 HydrophobicContact CB-CD2 4.12Å; C66-L78 VanDerWaalsContact N-CD2 3.29Å; C66-T90 WeakPolarHBondContact CA-O 3.47Å; C66-H92 WeakPolarHBondContact CB-ND1 3.13Å; C66-H92 PolarHBondContact SG-N 3.33Å; C66-H92 VanDerWaalsContact SG-N 3.4Å | ||
| 67 | R | 91.4 | Very high | 72.6 | Confident | 37 Ų | 37 | 81.9 Ų | 81.9 | 14% | 0.14 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.6 | 179.7 | 94.8 | -164.2 | -178.4 | 166.5 | 7.2 | 114.6 | I65 H70 T87 L88 T90 V91 E109 | I65-R67 PolarHBondContact O-N 3.14Å; R67-H70 PolarHBondContact O-NE2 3.37Å; R67-T87 WeakPolarHBondContact CB-O 3.42Å; R67-L88 WeakPolarHBondContact CD-O 3.37Å; R67-L88 PolarHBondContact NH1-O 2.8Å; R67-T90 PolarHBondContact N-O 2.85Å; R67-V91 HydrophobicContact CB-CG1 4.33Å; R67-V91 HydrophobicContact CG-CG1 3.6Å; R67-E109 IonicContact NH2-OE1 3.4Å |
| 68 | I | 91 | Very high | 74.5 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 31% | 0.313 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -48.5 | -174.6 | -58.2 | 174.2 | 0 | 0 | 0 | 110.8 | C66 V91 C95 W99 | C66-I68 PolarHBondContact O-N 3.2Å; C66-I68 VanDerWaalsContact O-N 3.11Å; C66-I68 PolarHBondContact SG-N 3.17Å; I68-V91 HydrophobicContact CD1-CB 4.36Å; I68-V91 HydrophobicContact CD1-CG1 4.12Å; I68-V91 HydrophobicContact CG1-CG1 4.16Å; I68-C95 HydrophobicContact CB-CB 3.98Å; I68-C95 HydrophobicContact CD1-CB 3.79Å; I68-C95 HydrophobicContact CG1-CB 4.41Å; I68-C95 HydrophobicContact CG2-CB 4.09Å; I68-W99 HydrophobicContact CD1-CB 4.14Å |
| 69 | C | 90.6 | Very high | 76.5 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 29% | 0.291 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -8.3 | -177.8 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | C66 E71 H92 | C66-C69 VanDerWaalsContact CB-SG 3.54Å; C66-C69 VanDerWaalsContact SG-SG 3.61Å; C69-E71 PolarHBondContact O-N 3.32Å; C69-H92 VanDerWaalsContact SG-CE1 3.53Å; C69-H92 PolarHBondContact SG-ND1 2.92Å |
| 70 | H | 89.7 | Confident | 78.3 | Confident | 138 Ų | 138 | 74.2 Ų | 74.2 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | trans | 60.6 | 26.1 | -178.8 | -49.1 | 123.2 | 0 | 0 | 0 | 114.8 | C66 R67 | C66-H70 WeakPolarHBondContact O-CA 3.22Å; C66-H70 PolarHBondContact O-N 2.88Å; R67-H70 PolarHBondContact O-NE2 3.37Å | ||
| 71 | E | 87.1 | Confident | 79.9 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | trans | -117 | 144.9 | 177 | -64.3 | 172.7 | 179.5 | 0 | 0 | 110.1 | C66 C69 H92 | C66-E71 VanDerWaalsContact CB-O 3.29Å; C66-E71 WeakPolarHBondContact CB-O 3.31Å; C66-E71 PolarHBondContact N-O 3.3Å; C69-E71 PolarHBondContact O-N 3.32Å; E71-H92 PolarHBondContact O-CE1 3.15Å | ||
| 72 | G | 76.6 | Confident | 81.6 | Confident | 31 Ų | 31 | 66 Ų | 66 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -111.1 | -6.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L78 | G72-L78 WeakPolarHBondContact O-CD1 3.47Š|
| 73 | G | 67.1 | Low | 82.9 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 77% | 0.773 | 40% | 0.403 | S | S | * | . | trans | -119.5 | 36.1 | -168 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 74 | S | 66.6 | Low | 83.8 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | trans | -76.7 | 162.8 | 174.8 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | E76 H92 | S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 WeakPolarHBondContact OG-CG 3.11Å; S74-E76 PolarHBondContact OG-N 2.93Å; S74-E76 PolarHBondContact OG-O 2.68Å; S74-H92 PolarHBondContact OG-CD2 3.47Å; S74-H92 PolarHBondContact OG-CE1 2.8Å; S74-H92 PolarHBondContact OG-NE2 3.47Å | ||
| 75 | S | 63.9 | Low | 84.3 | Confident | 139 Ų | 139 | 65.3 Ų | 65.3 | 97% | 0.972 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -64.9 | -13.9 | 176.1 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 76 | E | 75.1 | Confident | 84.1 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 27% | 0.271 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -100.1 | 132.9 | 173.4 | 55.8 | -176.2 | 164.5 | 0 | 0 | 109.9 | S74 H92 S94 | S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 WeakPolarHBondContact OG-CG 3.11Å; S74-E76 PolarHBondContact OG-N 2.93Å; S74-E76 PolarHBondContact OG-O 2.68Å; E76-H92 HydrophobicContact CG-CB 4.18Å; E76-H92 IonicContact OE1-CG 3.16Å; E76-S94 VanDerWaalsContact OE1-CB 3.27Å; E76-S94 WeakPolarHBondContact OE1-CB 3.27Å; E76-S94 PolarHBondContact OE1-OG 3.35Å; E76-S94 WeakPolarHBondContact OE2-CB 3.45Å; E76-S94 PolarHBondContact OE2-N 2.88Å; E76-S94 PolarHBondContact OE2-OG 3.03Å |
| 77 | G | 81.8 | Confident | 83.8 | Confident | 59 Ų | 59 | 69 Ų | 69 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 152.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 78 | L | 87.8 | Confident | 83.6 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 25% | 0.251 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 143.1 | 169.3 | -66.5 | 98.6 | 0 | 0 | 0 | 110.4 | P64 C66 G72 | P64-L78 HydrophobicContact CB-CD2 4.35Å; P64-L78 HydrophobicContact CG-CD1 4.5Å; P64-L78 WeakPolarHBondContact O-CD1 3.42Å; P64-L78 WeakPolarHBondContact O-CD2 3.31Å; C66-L78 HydrophobicContact CB-CD2 4.12Å; C66-L78 VanDerWaalsContact N-CD2 3.29Å; G72-L78 WeakPolarHBondContact O-CD1 3.47Å |
| 79 | L | 87.5 | Confident | 83.4 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 18% | 0.183 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.3 | -179.9 | 43.3 | 84.7 | 0 | 0 | 0 | 110.9 | P81 V91 K93 I220 | L79-P81 HydrophobicContact CD1-CB 4.34Å; L79-P81 HydrophobicContact CD1-CG 3.79Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; L79-V91 HydrophobicContact CD1-CG2 3.7Å; L79-V91 WeakPolarHBondContact CD1-O 3.48Å; L79-V91 VanDerWaalsContact CG-O 3.27Å; L79-V91 WeakPolarHBondContact CG-O 3.4Å; L79-V91 PolarHBondContact N-O 3.4Å; L79-V91 PolarHBondContact O-N 2.92Å; L79-K93 HydrophobicContact CD2-CB 3.75Å; L79-K93 HydrophobicContact CD2-CG 4.34Å; L79-I220 HydrophobicContact CD2-CD1 3.62Å |
| 80 | S | 87.7 | Confident | 83.3 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | trans | -117.7 | 79 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | C82 G89 | S80-C82 VanDerWaalsContact C-N 3.26Å; S80-C82 PolarHBondContact O-N 2.89Å; S80-G89 WeakPolarHBondContact CA-O 3.44Å | ||
| 81 | P | 86.9 | Confident | 83.4 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | trans | -84.1 | 2.3 | -171.1 | 32.6 | -31.9 | 0 | 0 | 0 | 113.5 | L79 V91 L96 F115 | L79-P81 HydrophobicContact CD1-CB 4.34Å; L79-P81 HydrophobicContact CD1-CG 3.79Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; P81-V91 HydrophobicContact CG-CG2 3.98Å; P81-L96 HydrophobicContact CB-CD2 4.18Å; P81-L96 HydrophobicContact CG-CD2 3.4Å; P81-L96 VanDerWaalsContact CG-CD2 3.4Å; P81-F115 HydrophobicContact CB-CD1 4Å; P81-F115 HydrophobicContact CB-CE1 3.78Å; P81-F115 HydrophobicContact CG-CD1 4.46Å; P81-F115 HydrophobicContact CG-CE1 3.85Å; P81-F115 WeakPolarHBondContact O-CD1 3.49Å; P81-F115 VanDerWaalsContact O-CE1 3.28Å; P81-F115 WeakPolarHBondContact O-CE1 3.33Å | ||
| 82 | C | 90.8 | Very high | 83.6 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.081 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -140 | 167 | -179.1 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | S80 C84 C108 F115 | S80-C82 VanDerWaalsContact C-N 3.26Å; S80-C82 PolarHBondContact O-N 2.89Å; C82-C84 PolarHBondContact O-N 2.84Å; C82-C84 VanDerWaalsContact O-N 3.14Å; C82-C84 VanDerWaalsContact SG-SG 3.69Å; C82-C108 HydrophobicContact CB-CB 3.91Å; C82-F115 HydrophobicContact CB-CE1 3.83Å; C82-F115 HydrophobicContact CB-CZ 4.12Å |
| 83 | D | 88.8 | Confident | 84.3 | Confident | 126 Ų | 126 | 57.5 Ų | 57.5 | 67% | 0.674 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -80.7 | 15.4 | -176.6 | -52.1 | -59.1 | 0 | 0 | 0 | 114 | T113 | D83-T113 WeakPolarHBondContact OD2-CG2 3.36Å; D83-T113 PolarHBondContact OD2-OG1 3.19Å |
| 84 | C | 90.3 | Very high | 85.3 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -70.6 | 132.6 | 175.3 | -70 | 0 | 0 | 0 | 0 | 111.1 | C82 L88 G89 | C82-C84 PolarHBondContact O-N 2.84Å; C82-C84 VanDerWaalsContact O-N 3.14Å; C82-C84 VanDerWaalsContact SG-SG 3.69Å; C84-L88 HydrophobicContact CB-CB 4.27Å; C84-G89 WeakPolarHBondContact O-CA 3.27Å | ||
| 85 | T | 89.1 | Confident | 86.5 | Confident | 129 Ų | 129 | 55.4 Ų | 55.4 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | trans | -83.9 | 148.7 | -179.6 | -44.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 86 | G | 85.8 | Confident | 87.8 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | 70.4 | -147.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L88 G89 | G86-L88 PolarHBondContact O-N 2.86Å; G86-G89 PolarHBondContact O-N 2.76Å |
| 87 | T | 84.3 | Confident | 88.5 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -66.6 | -16 | -176.5 | 53 | 0 | 0 | 0 | 0 | 114 | R67 G89 T90 | R67-T87 WeakPolarHBondContact CB-O 3.42Å; T87-G89 VanDerWaalsContact C-N 3.31Å; T87-T90 PolarHBondContact O-OG1 2.94Å |
| 88 | L | 86.4 | Confident | 88.9 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -77.4 | -17.5 | 176.4 | -65.5 | 178.7 | 0 | 0 | 0 | 113.1 | R67 C84 G86 | R67-L88 WeakPolarHBondContact CD-O 3.37Å; R67-L88 PolarHBondContact NH1-O 2.8Å; C84-L88 HydrophobicContact CB-CB 4.27Å; G86-L88 PolarHBondContact O-N 2.86Å |
| 89 | G | 86.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -25 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S80 C84 G86 T87 | S80-G89 WeakPolarHBondContact CA-O 3.44Å; C84-G89 WeakPolarHBondContact O-CA 3.27Å; G86-G89 PolarHBondContact O-N 2.76Å; T87-G89 VanDerWaalsContact C-N 3.31Å |
| 90 | T | 89.8 | Confident | 89.2 | Confident | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | trans | -91.8 | 118.5 | -168.7 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | P64 I65 C66 R67 T87 | P64-T90 HydrophobicContact CB-CG2 3.89Å; I65-T90 PolarHBondContact O-OG1 2.93Å; C66-T90 WeakPolarHBondContact CA-O 3.47Å; R67-T90 PolarHBondContact N-O 2.85Å; T87-T90 PolarHBondContact O-OG1 2.94Å | ||
| 91 | V | 91.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 153.6 | -179.8 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | R67 I68 L79 P81 L96 | R67-V91 HydrophobicContact CB-CG1 4.33Å; R67-V91 HydrophobicContact CG-CG1 3.6Å; I68-V91 HydrophobicContact CD1-CB 4.36Å; I68-V91 HydrophobicContact CD1-CG1 4.12Å; I68-V91 HydrophobicContact CG1-CG1 4.16Å; L79-V91 HydrophobicContact CD1-CG2 3.7Å; L79-V91 WeakPolarHBondContact CD1-O 3.48Å; L79-V91 VanDerWaalsContact CG-O 3.27Å; L79-V91 WeakPolarHBondContact CG-O 3.4Å; L79-V91 PolarHBondContact N-O 3.4Å; L79-V91 PolarHBondContact O-N 2.92Å; P81-V91 HydrophobicContact CG-CG2 3.98Å; V91-L96 HydrophobicContact CG2-CB 3.95Å; V91-L96 HydrophobicContact CG2-CD2 3.97Å; V91-L96 HydrophobicContact CG2-CG 4.42Å |
| 92 | H | 91.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 149.4 | 167.9 | -62.4 | 132.4 | 0 | 0 | 0 | 111.3 | C66 C69 E71 S74 E76 S94 C95 L96 | C66-H92 WeakPolarHBondContact CB-ND1 3.13Å; C66-H92 PolarHBondContact SG-N 3.33Å; C66-H92 VanDerWaalsContact SG-N 3.4Å; C69-H92 VanDerWaalsContact SG-CE1 3.53Å; C69-H92 PolarHBondContact SG-ND1 2.92Å; E71-H92 PolarHBondContact O-CE1 3.15Å; S74-H92 PolarHBondContact OG-CD2 3.47Å; S74-H92 PolarHBondContact OG-CE1 2.8Å; S74-H92 PolarHBondContact OG-NE2 3.47Å; E76-H92 HydrophobicContact CG-CB 4.18Å; E76-H92 IonicContact OE1-CG 3.16Å; H92-S94 PolarHBondContact O-N 3.39Å; H92-C95 HydrophobicContact CB-CB 4Å; H92-C95 PolarHBondContact O-N 3.02Å; H92-L96 PolarHBondContact O-N 3.32Å |
| 93 | K | 89.5 | Confident | 89 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.9 | -51.8 | 174.8 | -170.8 | 178.7 | 177.5 | 175 | 0 | 111.2 | L79 C95 L96 E97 L218 I220 | L79-K93 HydrophobicContact CD2-CB 3.75Å; L79-K93 HydrophobicContact CD2-CG 4.34Å; K93-C95 VanDerWaalsContact C-N 3.31Å; K93-C95 PolarHBondContact O-N 3.02Å; K93-L96 PolarHBondContact O-N 3.48Å; K93-E97 WeakPolarHBondContact CE-OE1 3.07Å; K93-E97 WeakPolarHBondContact O-CG 3.32Å; K93-E97 PolarHBondContact O-N 3.4Å; K93-L218 HydrophobicContact CG-CD1 4.25Å; K93-I220 HydrophobicContact CD-CD1 4.02Å; K93-I220 HydrophobicContact CG-CD1 4.36Å |
| 94 | S | 90.1 | Very high | 88.8 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | -178.1 | 76.3 | 0 | 0 | 0 | 0 | 112.8 | E76 H92 K98 | E76-S94 VanDerWaalsContact OE1-CB 3.27Å; E76-S94 WeakPolarHBondContact OE1-CB 3.27Å; E76-S94 PolarHBondContact OE1-OG 3.35Å; E76-S94 WeakPolarHBondContact OE2-CB 3.45Å; E76-S94 PolarHBondContact OE2-N 2.88Å; E76-S94 PolarHBondContact OE2-OG 3.03Å; H92-S94 PolarHBondContact O-N 3.39Å; S94-K98 VanDerWaalsContact O-CB 3.27Å; S94-K98 WeakPolarHBondContact O-CB 3.47Å; S94-K98 PolarHBondContact O-N 3.42Å |
| 95 | C | 90.5 | Very high | 88.7 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 179.1 | -69.8 | 0 | 0 | 0 | 0 | 110.9 | I68 H92 K93 K98 W99 | I68-C95 HydrophobicContact CB-CB 3.98Å; I68-C95 HydrophobicContact CD1-CB 3.79Å; I68-C95 HydrophobicContact CG1-CB 4.41Å; I68-C95 HydrophobicContact CG2-CB 4.09Å; H92-C95 HydrophobicContact CB-CB 4Å; H92-C95 PolarHBondContact O-N 3.02Å; K93-C95 VanDerWaalsContact C-N 3.31Å; K93-C95 PolarHBondContact O-N 3.02Å; C95-K98 PolarHBondContact O-N 3.31Å; C95-W99 WeakPolarHBondContact O-CB 3.21Å; C95-W99 PolarHBondContact O-N 2.92Å |
| 96 | L | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.8 | -177.4 | 61.5 | 0 | 0 | 0 | 111.9 | P81 V91 H92 K93 K98 W99 L100 F115 L218 | P81-L96 HydrophobicContact CB-CD2 4.18Å; P81-L96 HydrophobicContact CG-CD2 3.4Å; P81-L96 VanDerWaalsContact CG-CD2 3.4Å; V91-L96 HydrophobicContact CG2-CB 3.95Å; V91-L96 HydrophobicContact CG2-CD2 3.97Å; V91-L96 HydrophobicContact CG2-CG 4.42Å; H92-L96 PolarHBondContact O-N 3.32Å; K93-L96 PolarHBondContact O-N 3.48Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 3.08Å; L96-W99 HydrophobicContact CD1-CE3 4.08Å; L96-W99 PolarHBondContact O-N 3.45Å; L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CG 4.02Å; L96-L100 HydrophobicContact CD2-CD1 4.5Å; L96-L100 HydrophobicContact CG-CD1 3.86Å; L96-L100 HydrophobicContact CG-CG 4.26Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.91Å; L96-F115 HydrophobicContact CD1-CE2 4.32Å; L96-F115 HydrophobicContact CD1-CZ 4.46Å; L96-F115 HydrophobicContact CD2-CE1 4.37Å; L96-F115 HydrophobicContact CD2-CZ 4.36Å; L96-L218 HydrophobicContact CB-CD1 3.9Å; L96-L218 HydrophobicContact CD2-CD1 3.6Å; L96-L218 HydrophobicContact CD2-CD2 4.09Å; L96-L218 HydrophobicContact CD2-CG 4.48Å; L96-L218 HydrophobicContact CG-CD1 3.8Å |
| 97 | E | 91 | Very high | 89.1 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 173.9 | -75.9 | -175.7 | 171.5 | 0 | 0 | 111.9 | K93 S101 V216 R217 L218 | K93-E97 WeakPolarHBondContact CE-OE1 3.07Å; K93-E97 WeakPolarHBondContact O-CG 3.32Å; K93-E97 PolarHBondContact O-N 3.4Å; E97-S101 VanDerWaalsContact O-CB 3.28Å; E97-S101 WeakPolarHBondContact O-CB 3.48Å; E97-S101 PolarHBondContact O-N 3.19Å; E97-S101 PolarHBondContact O-OG 3.25Å; E97-V216 WeakPolarHBondContact CB-O 3.29Å; E97-R217 WeakPolarHBondContact OE1-CA 3.3Å; E97-L218 HydrophobicContact CG-CB 4.22Å; E97-L218 HydrophobicContact CG-CD1 3.84Å; E97-L218 HydrophobicContact CG-CG 3.87Å; E97-L218 PolarHBondContact OE1-N 3.41Å |
| 98 | K | 89.3 | Confident | 89.4 | Confident | 163 Ų | 163 | 43.7 Ų | 43.7 | 71% | 0.709 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.8 | -44 | 177.4 | -172.5 | 176.5 | -178 | -178.7 | 0 | 111.5 | S94 C95 L96 S101 S102 | S94-K98 VanDerWaalsContact O-CB 3.27Å; S94-K98 WeakPolarHBondContact O-CB 3.47Å; S94-K98 PolarHBondContact O-N 3.42Å; C95-K98 PolarHBondContact O-N 3.31Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 3.08Å; K98-S101 PolarHBondContact O-N 2.9Å; K98-S102 WeakPolarHBondContact O-CB 3.49Å; K98-S102 PolarHBondContact O-N 3Å; K98-S102 PolarHBondContact O-OG 2.65Å |
| 99 | W | 90.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -53.6 | 176.7 | -178.2 | 86.5 | 0 | 0 | 0 | 110.8 | I68 C95 L96 S101 S102 S103 T105 E109 | I68-W99 HydrophobicContact CD1-CB 4.14Å; C95-W99 WeakPolarHBondContact O-CB 3.21Å; C95-W99 PolarHBondContact O-N 2.92Å; L96-W99 HydrophobicContact CD1-CE3 4.08Å; L96-W99 PolarHBondContact O-N 3.45Å; W99-S101 VanDerWaalsContact C-N 3.28Å; W99-S101 PolarHBondContact O-N 2.7Å; W99-S102 PolarHBondContact O-N 3.34Å; W99-S102 PolarHBondContact O-OG 2.82Å; W99-S103 PolarHBondContact O-N 2.8Å; W99-S103 PolarHBondContact O-OG 3.2Å; W99-T105 WeakPolarHBondContact CH2-OG1 3.06Å; W99-T105 WeakPolarHBondContact CZ3-OG1 3.35Å; W99-E109 HydrophobicContact CH2-CB 4.16Å; W99-E109 HydrophobicContact CH2-CG 4.41Å; W99-E109 HydrophobicContact CZ2-CB 4.33Å; W99-E109 HydrophobicContact CZ2-CG 4.31Å; W99-E109 WeakPolarHBondContact CZ2-OE2 3.4Å |
| 100 | L | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 178.1 | -68.2 | 170.1 | 0 | 0 | 0 | 112.7 | L96 S102 S103 N104 T105 F115 I117 V216 L218 | L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CG 4.02Å; L96-L100 HydrophobicContact CD2-CD1 4.5Å; L96-L100 HydrophobicContact CG-CD1 3.86Å; L96-L100 HydrophobicContact CG-CG 4.26Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.91Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.47Å; L100-S103 WeakPolarHBondContact CA-OG 3.43Å; L100-N104 WeakPolarHBondContact O-CA 3.4Å; L100-N104 PolarHBondContact O-N 3.41Å; L100-T105 WeakPolarHBondContact CD2-O 3.29Å; L100-F115 HydrophobicContact CD1-CD2 4.03Å; L100-F115 HydrophobicContact CD2-CD2 3.85Å; L100-F115 HydrophobicContact CD2-CE2 4.12Å; L100-I117 HydrophobicContact CD1-CG2 3.98Å; L100-V216 HydrophobicContact CB-CB 4.04Å; L100-V216 HydrophobicContact CB-CG1 3.8Å; L100-V216 HydrophobicContact CB-CG2 4.18Å; L100-V216 HydrophobicContact CD1-CG1 4.11Å; L100-L218 HydrophobicContact CD1-CD2 3.93Å; L100-L218 HydrophobicContact CD1-CG 4.46Å |
| 101 | S | 87.9 | Confident | 90.1 | Very high | 28 Ų | 28 | 50.5 Ų | 50.5 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | E97 K98 W99 V216 | E97-S101 VanDerWaalsContact O-CB 3.28Å; E97-S101 WeakPolarHBondContact O-CB 3.48Å; E97-S101 PolarHBondContact O-N 3.19Å; E97-S101 PolarHBondContact O-OG 3.25Å; K98-S101 PolarHBondContact O-N 2.9Å; W99-S101 VanDerWaalsContact C-N 3.28Å; W99-S101 PolarHBondContact O-N 2.7Å; S101-V216 WeakPolarHBondContact OG-CB 3.24Å; S101-V216 PolarHBondContact OG-N 2.88Å |
| 102 | S | 85.4 | Confident | 90.1 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -84.1 | -38 | -179.3 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | K98 W99 L100 N104 | K98-S102 WeakPolarHBondContact O-CB 3.49Å; K98-S102 PolarHBondContact O-N 3Å; K98-S102 PolarHBondContact O-OG 2.65Å; W99-S102 PolarHBondContact O-N 3.34Å; W99-S102 PolarHBondContact O-OG 2.82Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.47Å; S102-N104 VanDerWaalsContact C-N 3.32Å |
| 103 | S | 87 | Confident | 90.1 | Very high | 44 Ų | 44 | 58 Ų | 58 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -80.9 | -15.8 | 179 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | W99 L100 T105 | W99-S103 PolarHBondContact O-N 2.8Å; W99-S103 PolarHBondContact O-OG 3.2Å; L100-S103 WeakPolarHBondContact CA-OG 3.43Å; S103-T105 PolarHBondContact O-N 3.3Å; S103-T105 PolarHBondContact OG-N 3.39Å; S103-T105 PolarHBondContact OG-OG1 2.93Å |
| 104 | N | 85.4 | Confident | 90.2 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | trans | 58.9 | 22.4 | -174.3 | -159.1 | 33.2 | 0 | 0 | 0 | 113.4 | L100 S102 R119 | L100-N104 WeakPolarHBondContact O-CA 3.4Å; L100-N104 PolarHBondContact O-N 3.41Å; S102-N104 VanDerWaalsContact C-N 3.32Å; N104-R119 VanDerWaalsContact C-NH2 3.31Å; N104-R119 PolarHBondContact O-NH2 3.39Å; N104-R119 PolarHBondContact OD1-NH1 3.49Å | ||
| 105 | T | 89.1 | Confident | 90.2 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | trans | -97.3 | 164.7 | 178.8 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | W99 L100 S103 Y107 | W99-T105 WeakPolarHBondContact CH2-OG1 3.06Å; W99-T105 WeakPolarHBondContact CZ3-OG1 3.35Å; L100-T105 WeakPolarHBondContact CD2-O 3.29Å; S103-T105 PolarHBondContact O-N 3.3Å; S103-T105 PolarHBondContact OG-N 3.39Å; S103-T105 PolarHBondContact OG-OG1 2.93Å; T105-Y107 HydrophobicContact CG2-CE1 4.44Å | ||
| 106 | S | 90.1 | Very high | 90 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -126.9 | 7.2 | 176.7 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | F115 | S106-F115 WeakPolarHBondContact O-CB 3.34Å; S106-F115 PolarHBondContact O-N 3.28Å |
| 107 | Y | 91.4 | Very high | 89.8 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -135 | 161.4 | -175.9 | 59.3 | -92.5 | 0 | 0 | 0 | 110.6 | T105 H112 T113 | T105-Y107 HydrophobicContact CG2-CE1 4.44Å; Y107-H112 AromaticContact CD2-ND1 3.66Å; Y107-H112 AromaticContact CE2-ND1 3.62Å; Y107-T113 CarbonylContact C-O 3.55Å; Y107-T113 VanDerWaalsContact CA-O 3.27Å; Y107-T113 WeakPolarHBondContact CA-O 3.33Å |
| 108 | C | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -70.3 | 129.7 | 175 | -173.9 | 0 | 0 | 0 | 0 | 111 | C82 L110 C111 H112 T113 F115 | C82-C108 HydrophobicContact CB-CB 3.91Å; C108-L110 PolarHBondContact O-N 3.49Å; C108-C111 VanDerWaalsContact CB-SG 3.51Å; C108-H112 WeakPolarHBondContact O-CA 3.45Å; C108-H112 PolarHBondContact O-N 2.85Å; C108-T113 PolarHBondContact N-O 2.87Å; C108-F115 HydrophobicContact CB-CE2 4.1Å; C108-F115 HydrophobicContact CB-CZ 3.7Å; C108-F115 VanDerWaalsContact N-CE2 3.33Å | ||
| 109 | E | 92.9 | Very high | 89.4 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.5 | 179.8 | 68.6 | -167 | 153.2 | 0 | 0 | 115 | R67 W99 | R67-E109 IonicContact NH2-OE1 3.4Å; W99-E109 HydrophobicContact CH2-CB 4.16Å; W99-E109 HydrophobicContact CH2-CG 4.41Å; W99-E109 HydrophobicContact CZ2-CB 4.33Å; W99-E109 HydrophobicContact CZ2-CG 4.31Å; W99-E109 WeakPolarHBondContact CZ2-OE2 3.4Å |
| 110 | L | 92.6 | Very high | 89 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 48% | 0.482 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -55.3 | -177.1 | -70.8 | 137.6 | 0 | 0 | 0 | 111.9 | C108 | C108-L110 PolarHBondContact O-N 3.49Š|
| 111 | C | 91.8 | Very high | 88.4 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -3.2 | -175.9 | 63 | 0 | 0 | 0 | 0 | 113.7 | C108 T113 | C108-C111 VanDerWaalsContact CB-SG 3.51Å; C111-T113 PolarHBondContact O-N 2.97Å; C111-T113 PolarHBondContact SG-OG1 2.66Å |
| 112 | H | 92.1 | Very high | 87.9 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 59% | 0.593 | 36% | 0.363 | S | S | * | . | trans | 59 | 13.2 | -179.1 | -62.7 | -80.5 | 0 | 0 | 0 | 116 | Y107 C108 E114 | Y107-H112 AromaticContact CD2-ND1 3.66Å; Y107-H112 AromaticContact CE2-ND1 3.62Å; C108-H112 WeakPolarHBondContact O-CA 3.45Å; C108-H112 PolarHBondContact O-N 2.85Å; H112-E114 PolarHBondContact O-N 2.91Å | ||
| 113 | T | 91 | Very high | 87.6 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 131.5 | 170.6 | -46.2 | 0 | 0 | 0 | 0 | 110.2 | D83 Y107 C108 C111 | D83-T113 WeakPolarHBondContact OD2-CG2 3.36Å; D83-T113 PolarHBondContact OD2-OG1 3.19Å; Y107-T113 CarbonylContact C-O 3.55Å; Y107-T113 VanDerWaalsContact CA-O 3.27Å; Y107-T113 WeakPolarHBondContact CA-O 3.33Å; C108-T113 PolarHBondContact N-O 2.87Å; C111-T113 PolarHBondContact O-N 2.97Å; C111-T113 PolarHBondContact SG-OG1 2.66Å |
| 114 | E | 90.8 | Very high | 86.9 | Confident | 153 Ų | 153 | 72 Ų | 72 | 72% | 0.715 | 36% | 0.364 | S | S | * | . | B | Isolated β-bridge | trans | -82 | 132.2 | -179.2 | -169.9 | 161.1 | -176.5 | 0 | 0 | 111.6 | H112 | H112-E114 PolarHBondContact O-N 2.91Å |
| 115 | F | 90.1 | Very high | 86.4 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 137.1 | 178.7 | -58 | -58.3 | 0 | 0 | 0 | 110.8 | P81 C82 L96 L100 S106 C108 I117 L218 | P81-F115 HydrophobicContact CB-CD1 4Å; P81-F115 HydrophobicContact CB-CE1 3.78Å; P81-F115 HydrophobicContact CG-CD1 4.46Å; P81-F115 HydrophobicContact CG-CE1 3.85Å; P81-F115 WeakPolarHBondContact O-CD1 3.49Å; P81-F115 VanDerWaalsContact O-CE1 3.28Å; P81-F115 WeakPolarHBondContact O-CE1 3.33Å; C82-F115 HydrophobicContact CB-CE1 3.83Å; C82-F115 HydrophobicContact CB-CZ 4.12Å; L96-F115 HydrophobicContact CD1-CE2 4.32Å; L96-F115 HydrophobicContact CD1-CZ 4.46Å; L96-F115 HydrophobicContact CD2-CE1 4.37Å; L96-F115 HydrophobicContact CD2-CZ 4.36Å; L100-F115 HydrophobicContact CD1-CD2 4.03Å; L100-F115 HydrophobicContact CD2-CD2 3.85Å; L100-F115 HydrophobicContact CD2-CE2 4.12Å; S106-F115 WeakPolarHBondContact O-CB 3.34Å; S106-F115 PolarHBondContact O-N 3.28Å; C108-F115 HydrophobicContact CB-CE2 4.1Å; C108-F115 HydrophobicContact CB-CZ 3.7Å; C108-F115 VanDerWaalsContact N-CE2 3.33Å; F115-I117 HydrophobicContact CB-CG2 4Å; F115-I117 PolarHBondContact O-N 2.88Å; F115-L218 HydrophobicContact CB-CD2 4.21Å |
| 116 | S | 87 | Confident | 86 | Confident | 76 Ų | 76 | 76 Ų | 76 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | trans | -72.9 | 106.9 | 168.8 | -69.1 | 0 | 0 | 0 | 0 | 110 | L219 | S116-L219 WeakPolarHBondContact CB-O 3.28Å; S116-L219 PolarHBondContact O-N 3.41Å | ||
| 117 | I | 87.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.7 | -176.1 | 59.8 | 162.2 | 0 | 0 | 0 | 113.2 | L100 F115 R119 V216 R217 L218 | L100-I117 HydrophobicContact CD1-CG2 3.98Å; F115-I117 HydrophobicContact CB-CG2 4Å; F115-I117 PolarHBondContact O-N 2.88Å; I117-R119 HydrophobicContact CD1-CG 4.3Å; I117-V216 HydrophobicContact CB-CG1 3.69Å; I117-V216 HydrophobicContact CD1-CG1 3.77Å; I117-V216 HydrophobicContact CD1-CG2 4.45Å; I117-V216 HydrophobicContact CG1-CG1 4.35Å; I117-V216 HydrophobicContact CG2-CG1 3.58Å; I117-R217 CarbonylContact C-O 3.56Å; I117-R217 VanDerWaalsContact CA-O 3.32Å; I117-R217 WeakPolarHBondContact CA-O 3.41Å; I117-L218 HydrophobicContact CG2-CD2 3.79Å |
| 118 | E | 86.3 | Confident | 84.6 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 34% | 0.341 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.3 | 167.5 | -167.2 | 177.4 | -179.7 | 0 | 0 | 110.2 | R120 R217 L219 | E118-R120 VanDerWaalsContact CD-NE 3.32Å; E118-R120 IonicContact OE1-CZ 3.95Å; E118-R120 IonicContact OE1-NE 3.68Å; E118-R120 PolarHBondContact OE1-NE 2.51Å; E118-R120 IonicContact OE1-NH2 3.32Å; E118-R120 PolarHBondContact OE1-NH2 3.32Å; E118-R120 IonicContact OE2-CZ 3.72Å; E118-R120 IonicContact OE2-NE 3.4Å; E118-R120 IonicContact OE2-NH2 2.71Å; E118-R120 PolarHBondContact OE2-NH2 3.11Å; E118-R217 PolarHBondContact N-O 2.96Å; E118-R217 PolarHBondContact O-N 3.43Å; E118-L219 HydrophobicContact CB-CD1 4.18Å; E118-L219 HydrophobicContact CB-CD2 4.33Å; E118-L219 HydrophobicContact CB-CG 4.21Å |
| 119 | R | 84.2 | Confident | 83.9 | Confident | 78 Ų | 78 | 85 Ų | 85 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.2 | 179.2 | -67.1 | -176.9 | 171.8 | -140.4 | -2.1 | 110.3 | N104 I117 Q214 V216 | N104-R119 VanDerWaalsContact C-NH2 3.31Å; N104-R119 PolarHBondContact O-NH2 3.39Å; N104-R119 PolarHBondContact OD1-NH1 3.49Å; I117-R119 HydrophobicContact CD1-CG 4.3Å; R119-Q214 HydrophobicContact CB-CB 4.36Å; R119-V216 HydrophobicContact CG-CG2 4.24Å |
| 120 | R | 82.6 | Confident | 82.9 | Confident | 136 Ų | 136 | 84.1 Ų | 84.1 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.5 | 178.4 | -66.6 | -67.3 | -176.8 | 118.5 | 0.5 | 110.9 | E118 K215 | E118-R120 VanDerWaalsContact CD-NE 3.32Å; E118-R120 IonicContact OE1-CZ 3.95Å; E118-R120 IonicContact OE1-NE 3.68Å; E118-R120 PolarHBondContact OE1-NE 2.51Å; E118-R120 IonicContact OE1-NH2 3.32Å; E118-R120 PolarHBondContact OE1-NH2 3.32Å; E118-R120 IonicContact OE2-CZ 3.72Å; E118-R120 IonicContact OE2-NE 3.4Å; E118-R120 IonicContact OE2-NH2 2.71Å; E118-R120 PolarHBondContact OE2-NH2 3.11Å; R120-K215 PolarHBondContact N-O 3.5Å; R120-K215 PolarHBondContact O-N 2.8Å |
| 121 | P | 77.9 | Confident | 81.7 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 44% | 0.442 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 140.9 | 175.3 | 29 | -32.9 | 0 | 0 | 0 | 110.7 | R210 | P121-R210 HydrophobicContact CB-CG 4.15Š|
| 122 | K | 79.2 | Confident | 80.7 | Confident | 54 Ų | 54 | 79.3 Ų | 79.3 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 145.2 | 175.2 | -70.4 | 179.7 | 175.2 | -172.6 | 0 | 111.6 | E126 W209 N213 | K122-E126 WeakPolarHBondContact CB-OE2 3.46Å; K122-E126 WeakPolarHBondContact CD-OE2 3.46Å; K122-E126 VanDerWaalsContact CG-OE2 3.22Å; K122-E126 WeakPolarHBondContact CG-OE2 3.34Å; K122-W209 HydrophobicContact CB-CH2 3.63Å; K122-W209 HydrophobicContact CB-CZ3 3.9Å; K122-W209 HydrophobicContact CD-CH2 3.86Å; K122-W209 HydrophobicContact CD-CZ2 4.28Å; K122-W209 HydrophobicContact CG-CH2 4.4Å; K122-N213 HydrophobicContact CD-CB 4.39Å; K122-N213 VanDerWaalsContact CD-O 3.27Å; K122-N213 WeakPolarHBondContact CD-O 3.37Å; K122-N213 WeakPolarHBondContact CG-O 3.39Å |
| 123 | P | 78.1 | Confident | 79.8 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 160.7 | 176.3 | 30.1 | -34.8 | 0 | 0 | 0 | 111.8 | T125 E126 | P123-T125 PolarHBondContact O-N 3.2Å; P123-E126 PolarHBondContact O-N 2.83Å |
| 124 | L | 72 | Confident | 79.1 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.7 | -28.2 | 178.5 | -80.3 | 161.5 | 0 | 0 | 0 | 113.6 | W127 L128 Y206 | L124-W127 WeakPolarHBondContact O-CB 3.28Å; L124-W127 PolarHBondContact O-N 2.74Å; L124-L128 PolarHBondContact O-N 3.01Å; L124-Y206 HydrophobicContact CD2-CD1 4.04Å; L124-Y206 HydrophobicContact CD2-CD2 3.72Å; L124-Y206 HydrophobicContact CD2-CE1 3.59Å; L124-Y206 HydrophobicContact CD2-CE2 3.27Å; L124-Y206 HydrophobicContact CD2-CG 4.09Å; L124-Y206 WeakPolarHBondContact CD2-OH 3.33Å; L124-Y206 HydrophobicContact CG-CE1 4.24Å; L124-Y206 HydrophobicContact CG-CE2 4.09Å; L124-Y206 WeakPolarHBondContact CG-OH 3.34Å |
| 125 | T | 75.2 | Confident | 78.4 | Confident | 104 Ų | 104 | 83 Ų | 83 | 64% | 0.638 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.4 | -39.2 | -177.5 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | P123 L128 Q129 | P123-T125 PolarHBondContact O-N 3.2Å; T125-L128 PolarHBondContact O-N 3.01Å; T125-Q129 PolarHBondContact O-N 3.03Å |
| 126 | E | 80.3 | Confident | 78.1 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 174.3 | -93.3 | -175.4 | 141 | 0 | 0 | 111.6 | K122 P123 Q129 D130 W209 | K122-E126 WeakPolarHBondContact CB-OE2 3.46Å; K122-E126 WeakPolarHBondContact CD-OE2 3.46Å; K122-E126 VanDerWaalsContact CG-OE2 3.22Å; K122-E126 WeakPolarHBondContact CG-OE2 3.34Å; P123-E126 PolarHBondContact O-N 2.83Å; E126-Q129 PolarHBondContact O-N 2.97Å; E126-D130 PolarHBondContact O-N 2.7Å; E126-D130 VanDerWaalsContact O-N 3.13Å; E126-W209 HydrophobicContact CB-CH2 4.32Å |
| 127 | W | 79.3 | Confident | 77.7 | Confident | 24 Ų | 24 | 83.9 Ų | 83.9 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.9 | 177.9 | 71.8 | 0 | 0 | 0 | 111.9 | L124 Q129 D130 P131 L140 L205 Y206 W209 | L124-W127 WeakPolarHBondContact O-CB 3.28Å; L124-W127 PolarHBondContact O-N 2.74Å; W127-Q129 PolarHBondContact O-N 3.02Å; W127-D130 CarbonylContact O-C 3.13Å; W127-D130 PolarHBondContact O-N 3.27Å; W127-P131 HydrophobicContact CD2-CB 4.48Å; W127-P131 HydrophobicContact CZ2-CB 4.2Å; W127-P131 VanDerWaalsContact O-CA 3.26Å; W127-P131 WeakPolarHBondContact O-CA 3.08Å; W127-P131 WeakPolarHBondContact O-CD 3.13Å; W127-P131 WeakPolarHBondContact O-CG 3.46Å; W127-L140 HydrophobicContact CH2-CD1 3.71Å; W127-L140 HydrophobicContact CH2-CD2 3.62Å; W127-L140 HydrophobicContact CH2-CG 4.36Å; W127-L140 HydrophobicContact CZ2-CD1 3.66Å; W127-L140 HydrophobicContact CZ2-CD2 4.23Å; W127-L205 HydrophobicContact CZ2-CD2 4.48Å; W127-Y206 HydrophobicContact CB-CD2 4.22Å; W127-Y206 HydrophobicContact CB-CE2 3.97Å; W127-Y206 AromaticContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CE2 4.31Å; W127-Y206 HydrophobicContact CE3-CD2 4.13Å; W127-Y206 AromaticContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CE2 4Å; W127-W209 HydrophobicContact CB-CD2 4.18Å; W127-W209 HydrophobicContact CB-CE3 3.9Å; W127-W209 HydrophobicContact CB-CH2 3.8Å; W127-W209 HydrophobicContact CB-CZ2 4.06Å; W127-W209 HydrophobicContact CB-CZ3 3.72Å; W127-W209 AromaticContact CD1-CD1 3.7Å; W127-W209 AromaticContact CD1-CD2 3.33Å; W127-W209 AromaticContact CD1-CE2 3.68Å; W127-W209 AromaticContact CD1-CE3 3.74Å; W127-W209 AromaticContact CD1-CG 3.37Å; W127-W209 AromaticContact CD1-NE1 3.86Å; W127-W209 HydrophobicContact CG-CD2 4.08Å; W127-W209 HydrophobicContact CG-CE3 4.08Å; W127-W209 HydrophobicContact CG-CG 4.47Å; W127-W209 HydrophobicContact CG-CZ3 4.4Å; W127-W209 AromaticContact NE1-CG 3.88Å |
| 128 | L | 74.1 | Confident | 77.5 | Confident | 131 Ų | 131 | 90.5 Ų | 90.5 | 69% | 0.686 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64 | -30.1 | 178.7 | -168.9 | 65.6 | 0 | 0 | 0 | 112.1 | L124 T125 | L124-L128 PolarHBondContact O-N 3.01Å; T125-L128 PolarHBondContact O-N 3.01Å |
| 129 | Q | 77.6 | Confident | 77.5 | Confident | 166 Ų | 166 | 90 Ų | 90 | 78% | 0.776 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -77 | -37 | 177.6 | -168.5 | 143.6 | 32.7 | 0 | 0 | 112.4 | T125 E126 W127 | T125-Q129 PolarHBondContact O-N 3.03Å; E126-Q129 PolarHBondContact O-N 2.97Å; W127-Q129 PolarHBondContact O-N 3.02Å |
| 130 | D | 70 | Confident | 77.5 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -137.4 | 79.7 | 173.3 | -149.2 | -34.9 | 0 | 0 | 0 | 113.8 | E126 W127 G132 K137 | E126-D130 PolarHBondContact O-N 2.7Å; E126-D130 VanDerWaalsContact O-N 3.13Å; W127-D130 CarbonylContact O-C 3.13Å; W127-D130 PolarHBondContact O-N 3.27Å; D130-G132 PolarHBondContact O-N 3.19Å; D130-G132 PolarHBondContact OD1-N 3.19Å; D130-K137 WeakPolarHBondContact OD1-CE 3.27Å; D130-K137 IonicContact OD1-NZ 2.75Å; D130-K137 PolarHBondContact OD1-NZ 3.07Å; D130-K137 IonicContact OD2-NZ 3.92Å; D130-K137 PolarHBondContact OD2-NZ 2.96Å | ||
| 131 | P | 67.8 | Low | 77.6 | Confident | 12 Ų | 12 | 87.6 Ų | 87.6 | 8% | 0.078 | 44% | 0.437 | C | S | . | . | trans | -68.8 | 4.7 | -178.8 | -16.7 | 23.2 | 0 | 0 | 0 | 115.4 | W127 K137 L140 | W127-P131 HydrophobicContact CD2-CB 4.48Å; W127-P131 HydrophobicContact CZ2-CB 4.2Å; W127-P131 VanDerWaalsContact O-CA 3.26Å; W127-P131 WeakPolarHBondContact O-CA 3.08Å; W127-P131 WeakPolarHBondContact O-CD 3.13Å; W127-P131 WeakPolarHBondContact O-CG 3.46Å; P131-K137 HydrophobicContact CB-CG 4.14Å; P131-K137 HydrophobicContact CG-CD 4.4Å; P131-K137 HydrophobicContact CG-CG 3.94Å; P131-L140 HydrophobicContact CB-CD1 3.65Å; P131-L140 HydrophobicContact CG-CD1 4.07Å | ||
| 132 | G | 72.1 | Confident | 78 | Confident | 26 Ų | 26 | 87.3 Ų | 87.3 | 27% | 0.268 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 108.5 | -148.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D130 K137 | D130-G132 PolarHBondContact O-N 3.19Å; D130-G132 PolarHBondContact OD1-N 3.19Å; G132-K137 WeakPolarHBondContact O-CE 3.41Å |
| 133 | P | 71.8 | Confident | 78.4 | Confident | 72 Ų | 72 | 85.9 Ų | 85.9 | 47% | 0.468 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -56.9 | 152.7 | -174.8 | -23.8 | 33 | 0 | 0 | 0 | 114.5 | N135 E136 K137 | P133-N135 VanDerWaalsContact CB-OD1 3.25Å; P133-N135 WeakPolarHBondContact CB-OD1 3.4Å; P133-N135 PolarHBondContact O-N 3.35Å; P133-N135 VanDerWaalsContact O-N 3.11Å; P133-E136 VanDerWaalsContact CB-OE2 3.29Å; P133-E136 WeakPolarHBondContact CB-OE2 3.46Å; P133-E136 WeakPolarHBondContact CD-OE2 3.4Å; P133-E136 VanDerWaalsContact CG-OE2 3.23Å; P133-E136 WeakPolarHBondContact CG-OE2 3.49Å; P133-E136 PolarHBondContact O-N 3.44Å; P133-E136 VanDerWaalsContact O-N 3.13Å; P133-K137 PolarHBondContact O-N 2.7Å |
| 134 | R | 76.2 | Confident | 78.8 | Confident | 234 Ų | 234 | 87.6 Ų | 87.6 | 88% | 0.883 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -56.2 | -32.3 | -172.2 | -73 | -178 | 168.7 | -139 | -1.1 | 114.3 | R138 | R134-R138 PolarHBondContact O-N 2.9Å |
| 135 | N | 77.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 178.7 | 52.4 | -61.7 | 0 | 0 | 0 | 112.2 | P133 K137 R138 T139 | P133-N135 VanDerWaalsContact CB-OD1 3.25Å; P133-N135 WeakPolarHBondContact CB-OD1 3.4Å; P133-N135 PolarHBondContact O-N 3.35Å; P133-N135 VanDerWaalsContact O-N 3.11Å; N135-K137 VanDerWaalsContact C-N 3.34Å; N135-K137 PolarHBondContact O-N 3.42Å; N135-R138 PolarHBondContact O-N 3.49Å; N135-T139 PolarHBondContact O-N 3.41Å; N135-T139 PolarHBondContact O-OG1 2.86Å |
| 136 | E | 82.1 | Confident | 80.3 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 19% | 0.192 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 178.2 | -78.2 | 137.7 | 91.6 | 0 | 0 | 111.6 | P133 R138 T139 L140 L205 | P133-E136 VanDerWaalsContact CB-OE2 3.29Å; P133-E136 WeakPolarHBondContact CB-OE2 3.46Å; P133-E136 WeakPolarHBondContact CD-OE2 3.4Å; P133-E136 VanDerWaalsContact CG-OE2 3.23Å; P133-E136 WeakPolarHBondContact CG-OE2 3.49Å; P133-E136 PolarHBondContact O-N 3.44Å; P133-E136 VanDerWaalsContact O-N 3.13Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.22Å; E136-T139 PolarHBondContact O-N 2.87Å; E136-L140 WeakPolarHBondContact O-CG 3.2Å; E136-L140 PolarHBondContact O-N 3.04Å; E136-L140 VanDerWaalsContact O-N 3.08Å; E136-L205 HydrophobicContact CB-CD2 4.32Å; E136-L205 HydrophobicContact CG-CD2 4.3Å |
| 137 | K | 79.9 | Confident | 80.8 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 174.5 | -59.5 | -165 | -171.5 | -168.8 | 0 | 112.4 | D130 P131 G132 P133 N135 F141 | D130-K137 WeakPolarHBondContact OD1-CE 3.27Å; D130-K137 IonicContact OD1-NZ 2.75Å; D130-K137 PolarHBondContact OD1-NZ 3.07Å; D130-K137 IonicContact OD2-NZ 3.92Å; D130-K137 PolarHBondContact OD2-NZ 2.96Å; P131-K137 HydrophobicContact CB-CG 4.14Å; P131-K137 HydrophobicContact CG-CD 4.4Å; P131-K137 HydrophobicContact CG-CG 3.94Å; G132-K137 WeakPolarHBondContact O-CE 3.41Å; P133-K137 PolarHBondContact O-N 2.7Å; N135-K137 VanDerWaalsContact C-N 3.34Å; N135-K137 PolarHBondContact O-N 3.42Å; K137-F141 WeakPolarHBondContact O-CB 3.27Å; K137-F141 PolarHBondContact O-N 2.92Å |
| 138 | R | 83.2 | Confident | 81.3 | Confident | 176 Ų | 176 | 84.8 Ų | 84.8 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.9 | -43.8 | -178.9 | -175.8 | 172.2 | 59.9 | -157.3 | -1.8 | 111.6 | R134 N135 E136 L140 F141 C142 | R134-R138 PolarHBondContact O-N 2.9Å; N135-R138 PolarHBondContact O-N 3.49Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.22Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 3.26Å; R138-F141 PolarHBondContact O-N 3.03Å; R138-C142 WeakPolarHBondContact O-CB 3.19Å; R138-C142 PolarHBondContact O-N 3.37Å; R138-C142 PolarHBondContact O-SG 3.4Å |
| 139 | T | 85.3 | Confident | 82.1 | Confident | 62 Ų | 62 | 84.4 Ų | 84.4 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.3 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | N135 E136 F141 C142 D143 | N135-T139 PolarHBondContact O-N 3.41Å; N135-T139 PolarHBondContact O-OG1 2.86Å; E136-T139 PolarHBondContact O-N 2.87Å; T139-F141 PolarHBondContact O-N 3.45Å; T139-C142 PolarHBondContact O-N 2.96Å; T139-D143 PolarHBondContact O-N 2.84Å |
| 140 | L | 84.2 | Confident | 82.6 | Confident | 18 Ų | 18 | 79.9 Ų | 79.9 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.4 | -81 | 164.4 | 0 | 0 | 0 | 112.6 | W127 P131 E136 R138 D143 M144 H202 L205 | W127-L140 HydrophobicContact CH2-CD1 3.71Å; W127-L140 HydrophobicContact CH2-CD2 3.62Å; W127-L140 HydrophobicContact CH2-CG 4.36Å; W127-L140 HydrophobicContact CZ2-CD1 3.66Å; W127-L140 HydrophobicContact CZ2-CD2 4.23Å; P131-L140 HydrophobicContact CB-CD1 3.65Å; P131-L140 HydrophobicContact CG-CD1 4.07Å; E136-L140 WeakPolarHBondContact O-CG 3.2Å; E136-L140 PolarHBondContact O-N 3.04Å; E136-L140 VanDerWaalsContact O-N 3.08Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 3.26Å; L140-D143 PolarHBondContact O-N 3.01Å; L140-M144 WeakPolarHBondContact O-CB 3.22Å; L140-M144 VanDerWaalsContact O-CG 3.27Å; L140-M144 WeakPolarHBondContact O-CG 3.27Å; L140-M144 PolarHBondContact O-N 3.42Å; L140-H202 HydrophobicContact CD2-CB 4.38Å; L140-H202 WeakPolarHBondContact CD2-CE1 3.28Å; L140-H202 WeakPolarHBondContact CD2-ND1 3.38Å; L140-L205 HydrophobicContact CD1-CD2 4.3Å |
| 141 | F | 84.9 | Confident | 83.5 | Confident | 145 Ų | 145 | 78.5 Ų | 78.5 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 179.2 | -176.2 | -98.2 | 0 | 0 | 0 | 111.6 | K137 R138 T139 M144 V145 | K137-F141 WeakPolarHBondContact O-CB 3.27Å; K137-F141 PolarHBondContact O-N 2.92Å; R138-F141 PolarHBondContact O-N 3.03Å; T139-F141 PolarHBondContact O-N 3.45Å; F141-M144 PolarHBondContact O-N 3.37Å; F141-V145 HydrophobicContact CD1-CG2 4.17Å; F141-V145 HydrophobicContact CE1-CG2 3.79Å; F141-V145 HydrophobicContact CE2-CG2 4.34Å; F141-V145 HydrophobicContact CZ-CG2 3.88Å; F141-V145 WeakPolarHBondContact O-CB 3.31Å; F141-V145 VanDerWaalsContact O-CG2 3.27Å; F141-V145 WeakPolarHBondContact O-CG2 3.48Å; F141-V145 PolarHBondContact O-N 3.41Å |
| 142 | C | 87.1 | Confident | 84.6 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 42% | 0.419 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.3 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | R138 T139 M144 V145 C146 | R138-C142 WeakPolarHBondContact O-CB 3.19Å; R138-C142 PolarHBondContact O-N 3.37Å; R138-C142 PolarHBondContact O-SG 3.4Å; T139-C142 PolarHBondContact O-N 2.96Å; C142-M144 PolarHBondContact O-N 3.34Å; C142-V145 PolarHBondContact O-N 3.19Å; C142-C146 WeakPolarHBondContact O-CB 3.5Å; C142-C146 PolarHBondContact O-N 2.99Å; C142-C146 PolarHBondContact O-SG 2.98Å |
| 143 | D | 88.3 | Confident | 85.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 179.9 | -77.1 | -6.3 | 0 | 0 | 0 | 112.1 | T139 L140 C146 F147 S198 H202 | T139-D143 PolarHBondContact O-N 2.84Å; L140-D143 PolarHBondContact O-N 3.01Å; D143-C146 WeakPolarHBondContact O-CB 3.3Å; D143-C146 PolarHBondContact O-N 3.18Å; D143-F147 HydrophobicContact CB-CE2 4.22Å; D143-F147 WeakPolarHBondContact O-CD2 3.31Å; D143-F147 WeakPolarHBondContact O-CG 3.43Å; D143-F147 PolarHBondContact O-N 3.25Å; D143-S198 PolarHBondContact OD2-OG 2.95Å; D143-H202 IonicContact OD2-CD2 3.93Å; D143-H202 IonicContact OD2-CE1 2.76Å; D143-H202 PolarHBondContact OD2-CE1 3.42Å; D143-H202 IonicContact OD2-NE2 2.8Å; D143-H202 PolarHBondContact OD2-NE2 2.82Å |
| 144 | M | 85.9 | Confident | 86.3 | Confident | 108 Ų | 108 | 83 Ų | 83 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 175 | -72.7 | -66.1 | 111.6 | 0 | 0 | 112.3 | L140 F141 C142 F147 L148 | L140-M144 WeakPolarHBondContact O-CB 3.22Å; L140-M144 VanDerWaalsContact O-CG 3.27Å; L140-M144 WeakPolarHBondContact O-CG 3.27Å; L140-M144 PolarHBondContact O-N 3.42Å; F141-M144 PolarHBondContact O-N 3.37Å; C142-M144 PolarHBondContact O-N 3.34Å; M144-F147 HydrophobicContact CE-CD2 4.03Å; M144-F147 HydrophobicContact CE-CE2 4.37Å; M144-F147 PolarHBondContact O-N 3.44Å; M144-L148 WeakPolarHBondContact O-CB 3.39Å; M144-L148 PolarHBondContact O-N 3.3Å |
| 145 | V | 89.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 75 Ų | 75 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | F141 C142 F147 L148 F149 | F141-V145 HydrophobicContact CD1-CG2 4.17Å; F141-V145 HydrophobicContact CE1-CG2 3.79Å; F141-V145 HydrophobicContact CE2-CG2 4.34Å; F141-V145 HydrophobicContact CZ-CG2 3.88Å; F141-V145 WeakPolarHBondContact O-CB 3.31Å; F141-V145 VanDerWaalsContact O-CG2 3.27Å; F141-V145 WeakPolarHBondContact O-CG2 3.48Å; F141-V145 PolarHBondContact O-N 3.41Å; C142-V145 PolarHBondContact O-N 3.19Å; V145-F147 PolarHBondContact O-N 3.31Å; V145-L148 PolarHBondContact O-N 2.86Å; V145-F149 HydrophobicContact CG1-CD2 3.82Å; V145-F149 HydrophobicContact CG1-CE2 3.91Å; V145-F149 WeakPolarHBondContact O-CD2 3.31Å; V145-F149 PolarHBondContact O-N 3.01Å; V145-F149 VanDerWaalsContact O-N 3.16Å |
| 146 | C | 89.2 | Confident | 87.6 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 175.2 | -74.9 | 0 | 0 | 0 | 0 | 111.8 | C142 D143 L148 F149 I150 W194 | C142-C146 WeakPolarHBondContact O-CB 3.5Å; C142-C146 PolarHBondContact O-N 2.99Å; C142-C146 PolarHBondContact O-SG 2.98Å; D143-C146 WeakPolarHBondContact O-CB 3.3Å; D143-C146 PolarHBondContact O-N 3.18Å; C146-L148 PolarHBondContact O-N 3.46Å; C146-F149 PolarHBondContact O-N 2.98Å; C146-I150 HydrophobicContact CB-CD1 3.91Å; C146-I150 WeakPolarHBondContact O-CA 3.26Å; C146-I150 WeakPolarHBondContact O-CB 3.12Å; C146-I150 WeakPolarHBondContact O-CG1 3.05Å; C146-I150 PolarHBondContact O-N 2.92Å; C146-W194 HydrophobicContact CB-CH2 3.71Å; C146-W194 HydrophobicContact CB-CZ3 4.39Å |
| 147 | F | 89.2 | Confident | 87.9 | Confident | 41 Ų | 41 | 76 Ų | 76 | 18% | 0.18 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.7 | -68.6 | -52.5 | 0 | 0 | 0 | 112.5 | D143 M144 V145 F149 T151 W194 T195 | D143-F147 HydrophobicContact CB-CE2 4.22Å; D143-F147 WeakPolarHBondContact O-CD2 3.31Å; D143-F147 WeakPolarHBondContact O-CG 3.43Å; D143-F147 PolarHBondContact O-N 3.25Å; M144-F147 HydrophobicContact CE-CD2 4.03Å; M144-F147 HydrophobicContact CE-CE2 4.37Å; M144-F147 PolarHBondContact O-N 3.44Å; V145-F147 PolarHBondContact O-N 3.31Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 3.01Å; F147-T151 VanDerWaalsContact O-CB 3.24Å; F147-T151 WeakPolarHBondContact O-CB 3.17Å; F147-T151 PolarHBondContact O-N 3.1Å; F147-T151 PolarHBondContact O-OG1 3.19Å; F147-W194 AromaticContact CD1-CZ3 3.89Å; F147-W194 HydrophobicContact CD1-CZ3 3.89Å; F147-W194 AromaticContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CH2 4.09Å; F147-W194 AromaticContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CZ-CE3 4.35Å; F147-W194 HydrophobicContact CZ-CH2 4.14Å; F147-W194 AromaticContact CZ-CZ3 3.77Å; F147-W194 HydrophobicContact CZ-CZ3 3.77Å; F147-T195 HydrophobicContact CD1-CG2 4.05Å; F147-T195 HydrophobicContact CE1-CG2 3.37Å; F147-T195 HydrophobicContact CZ-CG2 4.34Å |
| 148 | L | 89.9 | Confident | 88.3 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 62% | 0.618 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.8 | -38.8 | -179.8 | -177.2 | 64.1 | 0 | 0 | 0 | 112.4 | M144 V145 C146 P152 | M144-L148 WeakPolarHBondContact O-CB 3.39Å; M144-L148 PolarHBondContact O-N 3.3Å; V145-L148 PolarHBondContact O-N 2.86Å; C146-L148 PolarHBondContact O-N 3.46Å; L148-P152 WeakPolarHBondContact O-CD 3.42Å; L148-P152 VanDerWaalsContact O-CG 3.27Å; L148-P152 WeakPolarHBondContact O-CG 3.45Å |
| 149 | F | 91.1 | Very high | 88.7 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 54% | 0.544 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -98 | -38.8 | -176.4 | -67.1 | -70.1 | 0 | 0 | 0 | 113.9 | V145 C146 F147 P152 L153 | V145-F149 HydrophobicContact CG1-CD2 3.82Å; V145-F149 HydrophobicContact CG1-CE2 3.91Å; V145-F149 WeakPolarHBondContact O-CD2 3.31Å; V145-F149 PolarHBondContact O-N 3.01Å; V145-F149 VanDerWaalsContact O-N 3.16Å; C146-F149 PolarHBondContact O-N 2.98Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 3.01Å; F149-P152 WeakPolarHBondContact O-CD 3.43Å; F149-P152 WeakPolarHBondContact O-CG 3.39Å; F149-L153 WeakPolarHBondContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CD1 3.49Å; F149-L153 WeakPolarHBondContact O-CG 3.44Å; F149-L153 PolarHBondContact O-N 3.46Å |
| 150 | I | 88.3 | Confident | 88.9 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 36% | 0.359 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -75 | -36.8 | -175.1 | -60.6 | 176.5 | 0 | 0 | 0 | 111.4 | C146 L153 A154 Y191 | C146-I150 HydrophobicContact CB-CD1 3.91Å; C146-I150 WeakPolarHBondContact O-CA 3.26Å; C146-I150 WeakPolarHBondContact O-CB 3.12Å; C146-I150 WeakPolarHBondContact O-CG1 3.05Å; C146-I150 PolarHBondContact O-N 2.92Å; I150-L153 PolarHBondContact O-N 2.84Å; I150-A154 VanDerWaalsContact O-CB 3.28Å; I150-A154 WeakPolarHBondContact O-CB 3.35Å; I150-A154 PolarHBondContact O-N 3.46Å; I150-Y191 HydrophobicContact CB-CE2 4.2Å; I150-Y191 HydrophobicContact CG2-CD2 3.67Å; I150-Y191 HydrophobicContact CG2-CE2 3.57Å |
| 151 | T | 88.7 | Confident | 89.1 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.7 | -51.8 | 179.4 | -43.3 | 0 | 0 | 0 | 0 | 113.1 | F147 L153 A154 A155 Y191 | F147-T151 VanDerWaalsContact O-CB 3.24Å; F147-T151 WeakPolarHBondContact O-CB 3.17Å; F147-T151 PolarHBondContact O-N 3.1Å; F147-T151 PolarHBondContact O-OG1 3.19Å; T151-L153 PolarHBondContact O-N 3.41Å; T151-A154 PolarHBondContact O-N 2.98Å; T151-A155 WeakPolarHBondContact O-CB 3.45Å; T151-A155 PolarHBondContact O-N 3.29Å; T151-Y191 WeakPolarHBondContact CB-OH 3.24Å; T151-Y191 PolarHBondContact OG1-OH 2.93Å |
| 152 | P | 92.2 | Very high | 89.1 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 41% | 0.409 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 178 | 25.7 | -34.3 | 0 | 0 | 0 | 111.9 | L148 F149 A154 A155 I156 | L148-P152 WeakPolarHBondContact O-CD 3.42Å; L148-P152 VanDerWaalsContact O-CG 3.27Å; L148-P152 WeakPolarHBondContact O-CG 3.45Å; F149-P152 WeakPolarHBondContact O-CD 3.43Å; F149-P152 WeakPolarHBondContact O-CG 3.39Å; P152-A154 PolarHBondContact O-N 2.71Å; P152-A155 PolarHBondContact O-N 3.31Å; P152-I156 WeakPolarHBondContact O-CB 3.18Å; P152-I156 WeakPolarHBondContact O-CD1 3.17Å; P152-I156 WeakPolarHBondContact O-CG1 3.37Å; P152-I156 PolarHBondContact O-N 3.28Å |
| 153 | L | 89.8 | Confident | 89.1 | Confident | 114 Ų | 114 | 79.2 Ų | 79.2 | 60% | 0.597 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | 176.8 | -70.7 | 173.8 | 0 | 0 | 0 | 111.9 | F149 I150 T151 I156 S157 | F149-L153 WeakPolarHBondContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CD1 3.49Å; F149-L153 WeakPolarHBondContact O-CG 3.44Å; F149-L153 PolarHBondContact O-N 3.46Å; I150-L153 PolarHBondContact O-N 2.84Å; T151-L153 PolarHBondContact O-N 3.41Å; L153-I156 PolarHBondContact O-N 3.13Å; L153-S157 WeakPolarHBondContact O-CB 3.37Å; L153-S157 PolarHBondContact O-N 3.4Å |
| 154 | A | 88.5 | Confident | 88.9 | Confident | 29 Ų | 29 | 79 Ų | 79 | 24% | 0.24 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I150 T151 P152 S157 G158 | I150-A154 VanDerWaalsContact O-CB 3.28Å; I150-A154 WeakPolarHBondContact O-CB 3.35Å; I150-A154 PolarHBondContact O-N 3.46Å; T151-A154 PolarHBondContact O-N 2.98Å; P152-A154 PolarHBondContact O-N 2.71Å; A154-S157 PolarHBondContact O-N 2.88Å; A154-G158 PolarHBondContact O-N 3.32Å |
| 155 | A | 88.9 | Confident | 88.8 | Confident | 64 Ų | 64 | 74 Ų | 74 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T151 P152 G158 W159 | T151-A155 WeakPolarHBondContact O-CB 3.45Å; T151-A155 PolarHBondContact O-N 3.29Å; P152-A155 PolarHBondContact O-N 3.31Å; A155-G158 PolarHBondContact O-N 3.23Å; A155-W159 WeakPolarHBondContact O-CB 3.46Å; A155-W159 PolarHBondContact O-N 3.27Å |
| 156 | I | 92.1 | Very high | 88.5 | Confident | 97 Ų | 97 | 78.1 Ų | 78.1 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.8 | -66.7 | 164.4 | 0 | 0 | 0 | 110.3 | P152 L153 W159 L160 | P152-I156 WeakPolarHBondContact O-CB 3.18Å; P152-I156 WeakPolarHBondContact O-CD1 3.17Å; P152-I156 WeakPolarHBondContact O-CG1 3.37Å; P152-I156 PolarHBondContact O-N 3.28Å; L153-I156 PolarHBondContact O-N 3.13Å; I156-W159 PolarHBondContact O-N 3.32Å; I156-L160 HydrophobicContact CG2-CD1 3.87Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.05Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 3.44Å |
| 157 | S | 89.4 | Confident | 88.1 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L153 A154 W159 L160 C161 | L153-S157 WeakPolarHBondContact O-CB 3.37Å; L153-S157 PolarHBondContact O-N 3.4Å; A154-S157 PolarHBondContact O-N 2.88Å; S157-W159 VanDerWaalsContact C-N 3.34Å; S157-W159 PolarHBondContact O-N 3.49Å; S157-L160 PolarHBondContact O-N 2.95Å; S157-C161 WeakPolarHBondContact O-CB 3.23Å; S157-C161 PolarHBondContact O-N 2.82Å; S157-C161 PolarHBondContact O-SG 3.45Å |
| 158 | G | 88.2 | Confident | 87.5 | Confident | 31 Ų | 31 | 82.6 Ų | 82.6 | 32% | 0.32 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A154 A155 C161 L162 | A154-G158 PolarHBondContact O-N 3.32Å; A155-G158 PolarHBondContact O-N 3.23Å; G158-C161 PolarHBondContact O-N 2.94Å; G158-L162 PolarHBondContact O-N 3.45Å |
| 159 | W | 91.8 | Very high | 86.6 | Confident | 157 Ų | 157 | 82.4 Ų | 82.4 | 60% | 0.595 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 177.1 | -179.6 | -93.4 | 0 | 0 | 0 | 112.8 | A155 I156 S157 L162 R163 | A155-W159 WeakPolarHBondContact O-CB 3.46Å; A155-W159 PolarHBondContact O-N 3.27Å; I156-W159 PolarHBondContact O-N 3.32Å; S157-W159 VanDerWaalsContact C-N 3.34Å; S157-W159 PolarHBondContact O-N 3.49Å; W159-L162 PolarHBondContact O-N 2.88Å; W159-R163 PolarHBondContact O-N 3.47Å; W159-R163 VanDerWaalsContact O-N 3.08Å |
| 160 | L | 90 | Very high | 85.9 | Confident | 111 Ų | 111 | 84.5 Ų | 84.5 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 178.1 | -72.3 | 174.1 | 0 | 0 | 0 | 111.6 | I156 S157 L162 R163 G164 | I156-L160 HydrophobicContact CG2-CD1 3.87Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.05Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 3.44Å; S157-L160 PolarHBondContact O-N 2.95Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.26Å; L160-R163 PolarHBondContact O-N 2.97Å; L160-G164 PolarHBondContact O-N 2.94Å |
| 161 | C | 87.6 | Confident | 85.1 | Confident | 31 Ų | 31 | 88.8 Ų | 88.8 | 21% | 0.209 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 176.9 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | S157 G158 G164 A165 T184 | S157-C161 WeakPolarHBondContact O-CB 3.23Å; S157-C161 PolarHBondContact O-N 2.82Å; S157-C161 PolarHBondContact O-SG 3.45Å; G158-C161 PolarHBondContact O-N 2.94Å; C161-G164 PolarHBondContact O-N 3.4Å; C161-A165 VanDerWaalsContact O-CB 3.3Å; C161-A165 WeakPolarHBondContact O-CB 3.29Å; C161-A165 PolarHBondContact O-N 2.75Å; C161-T184 HydrophobicContact CB-CG2 3.3Å; C161-T184 WeakPolarHBondContact SG-CG2 3.41Å |
| 162 | L | 84.5 | Confident | 84.4 | Confident | 110 Ų | 110 | 89 Ų | 89 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.6 | -43.8 | 175.7 | -172.2 | 63.5 | 0 | 0 | 0 | 111.7 | G158 W159 L160 A165 Q166 | G158-L162 PolarHBondContact O-N 3.45Å; W159-L162 PolarHBondContact O-N 2.88Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.26Å; L162-A165 PolarHBondContact O-N 3.11Å; L162-Q166 PolarHBondContact O-N 2.86Å; L162-Q166 VanDerWaalsContact O-N 3.09Å |
| 163 | R | 87.9 | Confident | 83.7 | Confident | 157 Ų | 157 | 87.8 Ų | 87.8 | 59% | 0.592 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 173 | -82.7 | -143.7 | -172 | -150.6 | 7.9 | 112.3 | W159 L160 A165 Q166 D167 | W159-R163 PolarHBondContact O-N 3.47Å; W159-R163 VanDerWaalsContact O-N 3.08Å; L160-R163 PolarHBondContact O-N 2.97Å; R163-A165 VanDerWaalsContact C-N 3.29Å; R163-A165 PolarHBondContact O-N 3.32Å; R163-Q166 WeakPolarHBondContact O-CB 3.25Å; R163-Q166 PolarHBondContact O-N 2.97Å; R163-Q166 VanDerWaalsContact O-N 3.08Å; R163-D167 PolarHBondContact O-N 3.36Å |
| 164 | G | 84.1 | Confident | 83.3 | Confident | 21 Ų | 21 | 90.2 Ų | 90.2 | 22% | 0.216 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.2 | -36.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L160 C161 D167 H168 | L160-G164 PolarHBondContact O-N 2.94Å; C161-G164 PolarHBondContact O-N 3.4Å; G164-D167 PolarHBondContact O-N 3.38Å; G164-H168 PolarHBondContact O-N 2.89Å; G164-H168 PolarHBondContact O-ND1 3.36Å |
| 165 | A | 83.5 | Confident | 83 | Confident | 3 Ų | 3 | 94.6 Ų | 94.6 | 3% | 0.025 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C161 L162 R163 D167 H168 L169 A177 I181 | C161-A165 VanDerWaalsContact O-CB 3.3Å; C161-A165 WeakPolarHBondContact O-CB 3.29Å; C161-A165 PolarHBondContact O-N 2.75Å; L162-A165 PolarHBondContact O-N 3.11Å; R163-A165 VanDerWaalsContact C-N 3.29Å; R163-A165 PolarHBondContact O-N 3.32Å; A165-D167 VanDerWaalsContact C-N 3.32Å; A165-D167 PolarHBondContact O-N 3.37Å; A165-H168 PolarHBondContact O-N 2.99Å; A165-L169 VanDerWaalsContact O-CG 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.48Å; A165-L169 PolarHBondContact O-N 3.36Å; A165-A177 HydrophobicContact CB-CB 4.4Å; A165-I181 HydrophobicContact CB-CD1 3.83Å; A165-I181 HydrophobicContact CB-CG1 3.91Å |
| 166 | Q | 83.6 | Confident | 82.8 | Confident | 140 Ų | 140 | 97.4 Ų | 97.4 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -39.1 | 176.5 | -172.5 | 164.4 | -20 | 0 | 0 | 112.3 | L162 R163 | L162-Q166 PolarHBondContact O-N 2.86Å; L162-Q166 VanDerWaalsContact O-N 3.09Å; R163-Q166 WeakPolarHBondContact O-CB 3.25Å; R163-Q166 PolarHBondContact O-N 2.97Å; R163-Q166 VanDerWaalsContact O-N 3.08Å |
| 167 | D | 81.1 | Confident | 82.5 | Confident | 107 Ų | 107 | 92.8 Ų | 92.8 | 57% | 0.572 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.7 | -36.8 | 175.9 | -66.3 | -27.7 | 0 | 0 | 0 | 112.3 | R163 G164 A165 H170 | R163-D167 PolarHBondContact O-N 3.36Å; G164-D167 PolarHBondContact O-N 3.38Å; A165-D167 VanDerWaalsContact C-N 3.32Å; A165-D167 PolarHBondContact O-N 3.37Å; D167-H170 WeakPolarHBondContact O-CB 3.2Å; D167-H170 PolarHBondContact O-N 2.87Å |
| 168 | H | 77.1 | Confident | 82.4 | Confident | 72 Ų | 72 | 93.7 Ų | 93.7 | 33% | 0.333 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.1 | -29.2 | 178.8 | -80.3 | 64.5 | 0 | 0 | 0 | 113.5 | G164 A165 H170 M171 G172 A177 | G164-H168 PolarHBondContact O-N 2.89Å; G164-H168 PolarHBondContact O-ND1 3.36Å; A165-H168 PolarHBondContact O-N 2.99Å; H168-H170 PolarHBondContact O-N 3.45Å; H168-M171 PolarHBondContact O-N 2.9Å; H168-M171 VanDerWaalsContact O-N 3.14Å; H168-G172 PolarHBondContact O-N 3.4Å; H168-A177 HydrophobicContact CB-CB 4.21Å |
| 169 | L | 70.8 | Confident | 82.4 | Confident | 115 Ų | 115 | 94.2 Ų | 94.2 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -27 | 171.8 | -73.9 | 169.3 | 0 | 0 | 0 | 111.8 | A165 | A165-L169 VanDerWaalsContact O-CG 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.48Å; A165-L169 PolarHBondContact O-N 3.36Å |
| 170 | H | 75.1 | Confident | 82.1 | Confident | 167 Ų | 167 | 90.1 Ų | 90.1 | 77% | 0.773 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77.2 | -29.2 | 174.5 | -168.4 | -102.7 | 0 | 0 | 0 | 113 | D167 H168 | D167-H170 WeakPolarHBondContact O-CB 3.2Å; D167-H170 PolarHBondContact O-N 2.87Å; H168-H170 PolarHBondContact O-N 3.45Å |
| 171 | M | 72.8 | Confident | 82 | Confident | 160 Ų | 160 | 87.9 Ų | 87.9 | 79% | 0.788 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -93 | -0.3 | -176.9 | -64.8 | -75.6 | -95.5 | 0 | 0 | 113.9 | H168 | H168-M171 PolarHBondContact O-N 2.9Å; H168-M171 VanDerWaalsContact O-N 3.14Å |
| 172 | G | 73.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 89.1 Ų | 89.1 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 2.1 | 170 | 0 | 0 | 0 | 0 | 0 | 116.8 | H168 W174 | H168-G172 PolarHBondContact O-N 3.4Å; G172-W174 PolarHBondContact O-N 2.91Å |
| 173 | S | 78.8 | Confident | 82.4 | Confident | 39 Ų | 39 | 88.7 Ų | 88.7 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | trans | -94.2 | 64.6 | -178.7 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | L175 Q176 | S173-L175 VanDerWaalsContact C-N 3.32Å; S173-L175 PolarHBondContact O-N 3.18Å; S173-L175 VanDerWaalsContact O-N 3.17Å; S173-Q176 PolarHBondContact O-N 3.38Å; S173-Q176 PolarHBondContact OG-OE1 2.84Å | ||
| 174 | W | 80.2 | Confident | 82.4 | Confident | 164 Ų | 164 | 82.6 Ų | 82.6 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.6 | -37.4 | -172.2 | 88.2 | -75.5 | 0 | 0 | 0 | 115 | G172 Q176 A177 V178 | G172-W174 PolarHBondContact O-N 2.91Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-Q176 PolarHBondContact O-N 3.23Å; W174-A177 PolarHBondContact O-N 2.92Å; W174-V178 HydrophobicContact CE3-CG2 3.7Å; W174-V178 HydrophobicContact CZ3-CG2 4.02Å; W174-V178 VanDerWaalsContact O-CG2 3.32Å; W174-V178 WeakPolarHBondContact O-CG2 3.45Å; W174-V178 PolarHBondContact O-N 2.77Å |
| 175 | L | 83.4 | Confident | 82.7 | Confident | 122 Ų | 122 | 86.3 Ų | 86.3 | 64% | 0.639 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.3 | -37.4 | -178.3 | -67.5 | 173.3 | 0 | 0 | 0 | 112.8 | S173 G179 | S173-L175 VanDerWaalsContact C-N 3.32Å; S173-L175 PolarHBondContact O-N 3.18Å; S173-L175 VanDerWaalsContact O-N 3.17Å; L175-G179 PolarHBondContact O-N 2.66Å; L175-G179 VanDerWaalsContact O-N 3.07Å |
| 176 | Q | 83.6 | Confident | 83.1 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72 | -41.1 | 179.8 | -69 | 173.6 | -17.6 | 0 | 0 | 111 | S173 W174 G179 L180 | S173-Q176 PolarHBondContact O-N 3.38Å; S173-Q176 PolarHBondContact OG-OE1 2.84Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-Q176 PolarHBondContact O-N 3.23Å; Q176-G179 PolarHBondContact O-N 3.31Å; Q176-L180 WeakPolarHBondContact O-CG 2.97Å; Q176-L180 PolarHBondContact O-N 3.39Å; Q176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | A | 86.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.008 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A165 H168 W174 G179 L180 I181 | A165-A177 HydrophobicContact CB-CB 4.4Å; H168-A177 HydrophobicContact CB-CB 4.21Å; W174-A177 PolarHBondContact O-N 2.92Å; A177-G179 VanDerWaalsContact C-N 3.35Å; A177-G179 PolarHBondContact O-N 2.85Å; A177-L180 PolarHBondContact O-N 2.95Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.33Å; A177-I181 PolarHBondContact O-N 2.97Å |
| 178 | V | 86.9 | Confident | 83.7 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | W174 I181 A182 | W174-V178 HydrophobicContact CE3-CG2 3.7Å; W174-V178 HydrophobicContact CZ3-CG2 4.02Å; W174-V178 VanDerWaalsContact O-CG2 3.32Å; W174-V178 WeakPolarHBondContact O-CG2 3.45Å; W174-V178 PolarHBondContact O-N 2.77Å; V178-I181 PolarHBondContact O-N 3.28Å; V178-A182 WeakPolarHBondContact O-CB 3.28Å; V178-A182 PolarHBondContact O-N 3.13Å |
| 179 | G | 88.4 | Confident | 84.4 | Confident | 43 Ų | 43 | 86.9 Ų | 86.9 | 44% | 0.443 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L175 Q176 A177 A182 L183 | L175-G179 PolarHBondContact O-N 2.66Å; L175-G179 VanDerWaalsContact O-N 3.07Å; Q176-G179 PolarHBondContact O-N 3.31Å; A177-G179 VanDerWaalsContact C-N 3.35Å; A177-G179 PolarHBondContact O-N 2.85Å; G179-A182 PolarHBondContact O-N 3.48Å; G179-L183 WeakPolarHBondContact O-CB 3.34Å; G179-L183 PolarHBondContact O-N 3.08Å |
| 180 | L | 86.4 | Confident | 85.4 | Confident | 71 Ų | 71 | 86.4 Ų | 86.4 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 177.1 | -72.1 | 172 | 0 | 0 | 0 | 112.2 | Q176 A177 L183 T184 | Q176-L180 WeakPolarHBondContact O-CG 2.97Å; Q176-L180 PolarHBondContact O-N 3.39Å; Q176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 2.95Å; L180-L183 PolarHBondContact O-N 3.36Å; L180-T184 WeakPolarHBondContact O-CG2 3.01Å; L180-T184 PolarHBondContact O-N 3.31Å; L180-T184 PolarHBondContact O-OG1 3.24Å |
| 181 | I | 87.5 | Confident | 86.1 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 33% | 0.328 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.6 | -66.8 | 165.5 | 0 | 0 | 0 | 110.8 | A165 A177 V178 L183 T184 I185 | A165-I181 HydrophobicContact CB-CD1 3.83Å; A165-I181 HydrophobicContact CB-CG1 3.91Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.33Å; A177-I181 PolarHBondContact O-N 2.97Å; V178-I181 PolarHBondContact O-N 3.28Å; I181-L183 PolarHBondContact O-N 3.19Å; I181-T184 PolarHBondContact O-N 2.92Å; I181-T184 PolarHBondContact O-OG1 3.34Å; I181-I185 HydrophobicContact CG2-CD1 3.74Å; I181-I185 HydrophobicContact CG2-CG1 4.42Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.44Å; I181-I185 PolarHBondContact O-N 3.35Å |
| 182 | A | 90.8 | Very high | 86.9 | Confident | 56 Ų | 56 | 75 Ų | 75 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V178 G179 I185 A186 | V178-A182 WeakPolarHBondContact O-CB 3.28Å; V178-A182 PolarHBondContact O-N 3.13Å; G179-A182 PolarHBondContact O-N 3.48Å; A182-I185 PolarHBondContact O-N 3.02Å; A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.5Å |
| 183 | L | 88.7 | Confident | 87.9 | Confident | 102 Ų | 102 | 77.1 Ų | 77.1 | 53% | 0.534 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.1 | -173.7 | 83.6 | 0 | 0 | 0 | 111.7 | G179 L180 I181 A186 L187 | G179-L183 WeakPolarHBondContact O-CB 3.34Å; G179-L183 PolarHBondContact O-N 3.08Å; L180-L183 PolarHBondContact O-N 3.36Å; I181-L183 PolarHBondContact O-N 3.19Å; L183-A186 PolarHBondContact O-N 3.49Å; L183-L187 HydrophobicContact CD2-CD1 4.44Å; L183-L187 HydrophobicContact CG-CD1 4.17Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 3.3Å |
| 184 | T | 88.6 | Confident | 88.5 | Confident | 29 Ų | 29 | 80 Ų | 80 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | -179.3 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | C161 L180 I181 A186 L187 F188 | C161-T184 HydrophobicContact CB-CG2 3.3Å; C161-T184 WeakPolarHBondContact SG-CG2 3.41Å; L180-T184 WeakPolarHBondContact O-CG2 3.01Å; L180-T184 PolarHBondContact O-N 3.31Å; L180-T184 PolarHBondContact O-OG1 3.24Å; I181-T184 PolarHBondContact O-N 2.92Å; I181-T184 PolarHBondContact O-OG1 3.34Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 3.3Å; T184-L187 PolarHBondContact O-N 3.36Å; T184-F188 VanDerWaalsContact O-CB 3.24Å; T184-F188 WeakPolarHBondContact O-CB 3Å; T184-F188 PolarHBondContact O-N 3.32Å |
| 185 | I | 90.1 | Very high | 89 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.4 | -68 | 169.2 | 0 | 0 | 0 | 109.9 | I181 A182 F188 T189 | I181-I185 HydrophobicContact CG2-CD1 3.74Å; I181-I185 HydrophobicContact CG2-CG1 4.42Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.44Å; I181-I185 PolarHBondContact O-N 3.35Å; A182-I185 PolarHBondContact O-N 3.02Å; I185-F188 PolarHBondContact O-N 2.97Å; I185-T189 HydrophobicContact CG2-CG2 4.17Å; I185-T189 WeakPolarHBondContact O-CG2 3.27Å; I185-T189 PolarHBondContact O-N 3.45Å; I185-T189 PolarHBondContact O-OG1 3.47Å |
| 186 | A | 92.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -50.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A182 L183 T184 F188 T189 I190 | A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.5Å; L183-A186 PolarHBondContact O-N 3.49Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 3.3Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.23Å; A186-T189 PolarHBondContact O-N 3.37Å; A186-T189 PolarHBondContact O-OG1 3.28Å; A186-I190 VanDerWaalsContact O-CG1 3.32Å; A186-I190 WeakPolarHBondContact O-CG1 3.44Å; A186-I190 PolarHBondContact O-N 2.55Å |
| 187 | L | 88 | Confident | 89.8 | Confident | 100 Ų | 100 | 71 Ų | 71 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 178.1 | -69.5 | 174.3 | 0 | 0 | 0 | 112.4 | L183 T184 I190 Y191 | L183-L187 HydrophobicContact CD2-CD1 4.44Å; L183-L187 HydrophobicContact CG-CD1 4.17Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 3.3Å; T184-L187 PolarHBondContact O-N 3.36Å; L187-I190 PolarHBondContact O-N 2.99Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.41Å |
| 188 | F | 89.3 | Confident | 90 | Very high | 123 Ų | 123 | 71.4 Ų | 71.4 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.6 | -174.8 | -100.1 | 0 | 0 | 0 | 111.6 | T184 I185 A186 Y191 V192 | T184-F188 VanDerWaalsContact O-CB 3.24Å; T184-F188 WeakPolarHBondContact O-CB 3Å; T184-F188 PolarHBondContact O-N 3.32Å; I185-F188 PolarHBondContact O-N 2.97Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.23Å; F188-Y191 PolarHBondContact O-N 3.45Å; F188-V192 HydrophobicContact CD1-CG2 4.05Å; F188-V192 HydrophobicContact CE1-CG2 3.66Å; F188-V192 HydrophobicContact CE2-CG2 4.3Å; F188-V192 HydrophobicContact CZ-CG2 3.8Å; F188-V192 WeakPolarHBondContact O-CG2 3.47Å; F188-V192 PolarHBondContact O-N 3.14Å |
| 189 | T | 91.3 | Very high | 90.1 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.9 | 63.6 | 0 | 0 | 0 | 0 | 112 | I185 A186 Y191 V192 L193 | I185-T189 HydrophobicContact CG2-CG2 4.17Å; I185-T189 WeakPolarHBondContact O-CG2 3.27Å; I185-T189 PolarHBondContact O-N 3.45Å; I185-T189 PolarHBondContact O-OG1 3.47Å; A186-T189 PolarHBondContact O-N 3.37Å; A186-T189 PolarHBondContact O-OG1 3.28Å; T189-Y191 VanDerWaalsContact C-N 3.34Å; T189-Y191 PolarHBondContact O-N 3.14Å; T189-V192 PolarHBondContact O-N 3.44Å; T189-L193 WeakPolarHBondContact O-CB 3.27Å; T189-L193 VanDerWaalsContact O-CG 3.28Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 3.5Å |
| 190 | I | 92.4 | Very high | 90.2 | Very high | 106 Ų | 106 | 80.2 Ų | 80.2 | 54% | 0.544 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.7 | -67.8 | 164.8 | 0 | 0 | 0 | 110.1 | A186 L187 L193 W194 | A186-I190 VanDerWaalsContact O-CG1 3.32Å; A186-I190 WeakPolarHBondContact O-CG1 3.44Å; A186-I190 PolarHBondContact O-N 2.55Å; L187-I190 PolarHBondContact O-N 2.99Å; I190-L193 PolarHBondContact O-N 3.02Å; I190-W194 WeakPolarHBondContact O-CB 3.48Å; I190-W194 PolarHBondContact O-N 3.41Å |
| 191 | Y | 89.4 | Confident | 90.4 | Very high | 37 Ų | 37 | 81.8 Ų | 81.8 | 15% | 0.145 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 177.1 | 170.8 | -98.8 | 0 | 0 | 0 | 111.6 | I150 T151 L187 F188 T189 L193 W194 T195 | I150-Y191 HydrophobicContact CB-CE2 4.2Å; I150-Y191 HydrophobicContact CG2-CD2 3.67Å; I150-Y191 HydrophobicContact CG2-CE2 3.57Å; T151-Y191 WeakPolarHBondContact CB-OH 3.24Å; T151-Y191 PolarHBondContact OG1-OH 2.93Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.41Å; F188-Y191 PolarHBondContact O-N 3.45Å; T189-Y191 VanDerWaalsContact C-N 3.34Å; T189-Y191 PolarHBondContact O-N 3.14Å; Y191-L193 PolarHBondContact O-N 3.22Å; Y191-W194 PolarHBondContact O-N 3.36Å; Y191-T195 HydrophobicContact CD1-CG2 3.97Å; Y191-T195 HydrophobicContact CD2-CG2 4.02Å; Y191-T195 HydrophobicContact CE1-CG2 3.56Å; Y191-T195 HydrophobicContact CE2-CG2 3.64Å; Y191-T195 HydrophobicContact CG-CG2 4.17Å; Y191-T195 WeakPolarHBondContact O-CG2 3.45Å; Y191-T195 PolarHBondContact O-N 2.97Å |
| 192 | V | 89.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 79.5 Ų | 79.5 | 30% | 0.297 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | F188 T189 T195 L196 | F188-V192 HydrophobicContact CD1-CG2 4.05Å; F188-V192 HydrophobicContact CE1-CG2 3.66Å; F188-V192 HydrophobicContact CE2-CG2 4.3Å; F188-V192 HydrophobicContact CZ-CG2 3.8Å; F188-V192 WeakPolarHBondContact O-CG2 3.47Å; F188-V192 PolarHBondContact O-N 3.14Å; T189-V192 PolarHBondContact O-N 3.44Å; V192-T195 PolarHBondContact O-N 2.7Å; V192-T195 PolarHBondContact O-OG1 3.33Å; V192-L196 HydrophobicContact CG1-CD1 3.87Å; V192-L196 HydrophobicContact CG1-CG 4.3Å; V192-L196 WeakPolarHBondContact O-CB 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 3.5Å |
| 193 | L | 93.2 | Very high | 90.1 | Very high | 110 Ų | 110 | 79.3 Ų | 79.3 | 58% | 0.576 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 176 | -71.9 | 173.1 | 0 | 0 | 0 | 111.5 | T189 I190 Y191 L196 V197 | T189-L193 WeakPolarHBondContact O-CB 3.27Å; T189-L193 VanDerWaalsContact O-CG 3.28Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 3.5Å; I190-L193 PolarHBondContact O-N 3.02Å; Y191-L193 PolarHBondContact O-N 3.22Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 3.44Å |
| 194 | W | 92.1 | Very high | 90.1 | Very high | 99 Ų | 99 | 80.2 Ų | 80.2 | 38% | 0.375 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 176.1 | -180 | 77.6 | 0 | 0 | 0 | 111.8 | C146 F147 I190 Y191 L196 V197 S198 | C146-W194 HydrophobicContact CB-CH2 3.71Å; C146-W194 HydrophobicContact CB-CZ3 4.39Å; F147-W194 AromaticContact CD1-CZ3 3.89Å; F147-W194 HydrophobicContact CD1-CZ3 3.89Å; F147-W194 AromaticContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CH2 4.09Å; F147-W194 AromaticContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CZ-CE3 4.35Å; F147-W194 HydrophobicContact CZ-CH2 4.14Å; F147-W194 AromaticContact CZ-CZ3 3.77Å; F147-W194 HydrophobicContact CZ-CZ3 3.77Å; I190-W194 WeakPolarHBondContact O-CB 3.48Å; I190-W194 PolarHBondContact O-N 3.41Å; Y191-W194 PolarHBondContact O-N 3.36Å; W194-L196 VanDerWaalsContact C-N 3.33Å; W194-L196 PolarHBondContact O-N 3.49Å; W194-V197 PolarHBondContact O-N 3.26Å; W194-S198 WeakPolarHBondContact O-CB 3.08Å; W194-S198 PolarHBondContact O-N 2.89Å |
| 195 | T | 90.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 80 Ų | 80 | 17% | 0.172 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.9 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | F147 Y191 V192 F199 | F147-T195 HydrophobicContact CD1-CG2 4.05Å; F147-T195 HydrophobicContact CE1-CG2 3.37Å; F147-T195 HydrophobicContact CZ-CG2 4.34Å; Y191-T195 HydrophobicContact CD1-CG2 3.97Å; Y191-T195 HydrophobicContact CD2-CG2 4.02Å; Y191-T195 HydrophobicContact CE1-CG2 3.56Å; Y191-T195 HydrophobicContact CE2-CG2 3.64Å; Y191-T195 HydrophobicContact CG-CG2 4.17Å; Y191-T195 WeakPolarHBondContact O-CG2 3.45Å; Y191-T195 PolarHBondContact O-N 2.97Å; V192-T195 PolarHBondContact O-N 2.7Å; V192-T195 PolarHBondContact O-OG1 3.33Å; T195-F199 WeakPolarHBondContact O-CB 3.21Å; T195-F199 PolarHBondContact O-N 3.45Å |
| 196 | L | 91 | Very high | 89.8 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 178.3 | -73.8 | 171.9 | 0 | 0 | 0 | 111.7 | V192 L193 W194 F199 R200 | V192-L196 HydrophobicContact CG1-CD1 3.87Å; V192-L196 HydrophobicContact CG1-CG 4.3Å; V192-L196 WeakPolarHBondContact O-CB 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 3.5Å; L193-L196 PolarHBondContact O-N 2.85Å; W194-L196 VanDerWaalsContact C-N 3.33Å; W194-L196 PolarHBondContact O-N 3.49Å; L196-F199 PolarHBondContact O-N 3.31Å; L196-R200 WeakPolarHBondContact O-CB 3.24Å; L196-R200 WeakPolarHBondContact O-CG 3.37Å; L196-R200 PolarHBondContact O-N 2.94Å |
| 197 | V | 92.9 | Very high | 89.5 | Confident | 104 Ų | 104 | 77.2 Ų | 77.2 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.1 | -47.6 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L193 W194 F199 R200 Y201 | L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 3.44Å; W194-V197 PolarHBondContact O-N 3.26Å; V197-F199 PolarHBondContact O-N 3.31Å; V197-R200 PolarHBondContact O-N 3.08Å; V197-Y201 WeakPolarHBondContact O-CB 3.09Å; V197-Y201 PolarHBondContact O-N 3.31Å |
| 198 | S | 90.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | D143 W194 R200 Y201 H202 | D143-S198 PolarHBondContact OD2-OG 2.95Å; W194-S198 WeakPolarHBondContact O-CB 3.08Å; W194-S198 PolarHBondContact O-N 2.89Å; S198-R200 PolarHBondContact O-N 2.88Å; S198-Y201 WeakPolarHBondContact O-CB 3.37Å; S198-Y201 PolarHBondContact O-N 3Å; S198-H202 PolarHBondContact O-CD2 3.28Å; S198-H202 PolarHBondContact O-N 3.44Å; S198-H202 PolarHBondContact OG-CD2 3.02Å; S198-H202 PolarHBondContact OG-NE2 3.46Å |
| 199 | F | 88.6 | Confident | 89.1 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 176.8 | -178.2 | -104 | 0 | 0 | 0 | 112.6 | T195 L196 V197 Y201 H202 C203 | T195-F199 WeakPolarHBondContact O-CB 3.21Å; T195-F199 PolarHBondContact O-N 3.45Å; L196-F199 PolarHBondContact O-N 3.31Å; V197-F199 PolarHBondContact O-N 3.31Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 PolarHBondContact O-N 3.49Å; F199-H202 PolarHBondContact O-N 3.44Å; F199-C203 WeakPolarHBondContact CE1-SG 3.27Å; F199-C203 WeakPolarHBondContact CZ-SG 3.11Å; F199-C203 WeakPolarHBondContact O-CB 3.18Å; F199-C203 PolarHBondContact O-N 3.5Å; F199-C203 PolarHBondContact O-SG 3.33Å |
| 200 | R | 91.1 | Very high | 88.8 | Confident | 168 Ų | 168 | 75.7 Ų | 75.7 | 63% | 0.634 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 176.4 | -74.1 | -69.1 | -169.4 | 97.7 | 2 | 111.6 | L196 V197 S198 C203 Q204 | L196-R200 WeakPolarHBondContact O-CB 3.24Å; L196-R200 WeakPolarHBondContact O-CG 3.37Å; L196-R200 PolarHBondContact O-N 2.94Å; V197-R200 PolarHBondContact O-N 3.08Å; S198-R200 PolarHBondContact O-N 2.88Å; R200-C203 PolarHBondContact O-N 3.49Å; R200-Q204 VanDerWaalsContact O-CG 3.31Å; R200-Q204 WeakPolarHBondContact O-CG 3.4Å; R200-Q204 PolarHBondContact O-N 2.87Å |
| 201 | Y | 89.3 | Confident | 88.1 | Confident | 104 Ų | 104 | 80 Ų | 80 | 41% | 0.408 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 175 | 171.9 | -96.3 | 0 | 0 | 0 | 111.4 | V197 S198 F199 C203 Q204 L205 | V197-Y201 WeakPolarHBondContact O-CB 3.09Å; V197-Y201 PolarHBondContact O-N 3.31Å; S198-Y201 WeakPolarHBondContact O-CB 3.37Å; S198-Y201 PolarHBondContact O-N 3Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 PolarHBondContact O-N 3.49Å; Y201-C203 PolarHBondContact O-N 3.5Å; Y201-Q204 WeakPolarHBondContact O-CB 3.47Å; Y201-Q204 PolarHBondContact O-N 3.42Å; Y201-L205 HydrophobicContact CE1-CD2 4.47Å; Y201-L205 PolarHBondContact O-N 2.82Å |
| 202 | H | 87.3 | Confident | 87.6 | Confident | 16 Ų | 16 | 82.2 Ų | 82.2 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 179.1 | -66.3 | -43.7 | 0 | 0 | 0 | 112.9 | L140 D143 S198 F199 Q204 L205 Y206 | L140-H202 HydrophobicContact CD2-CB 4.38Å; L140-H202 WeakPolarHBondContact CD2-CE1 3.28Å; L140-H202 WeakPolarHBondContact CD2-ND1 3.38Å; D143-H202 IonicContact OD2-CD2 3.93Å; D143-H202 IonicContact OD2-CE1 2.76Å; D143-H202 PolarHBondContact OD2-CE1 3.42Å; D143-H202 IonicContact OD2-NE2 2.8Å; D143-H202 PolarHBondContact OD2-NE2 2.82Å; S198-H202 PolarHBondContact O-CD2 3.28Å; S198-H202 PolarHBondContact O-N 3.44Å; S198-H202 PolarHBondContact OG-CD2 3.02Å; S198-H202 PolarHBondContact OG-NE2 3.46Å; F199-H202 PolarHBondContact O-N 3.44Å; H202-Q204 VanDerWaalsContact C-N 3.33Å; H202-L205 PolarHBondContact O-N 3.16Å; H202-Y206 VanDerWaalsContact O-CB 3.25Å; H202-Y206 WeakPolarHBondContact O-CB 3.34Å; H202-Y206 PolarHBondContact O-N 3.41Å |
| 203 | C | 86.7 | Confident | 87.1 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 172.9 | -73.6 | 0 | 0 | 0 | 0 | 112 | F199 R200 Y201 S207 | F199-C203 WeakPolarHBondContact CE1-SG 3.27Å; F199-C203 WeakPolarHBondContact CZ-SG 3.11Å; F199-C203 WeakPolarHBondContact O-CB 3.18Å; F199-C203 PolarHBondContact O-N 3.5Å; F199-C203 PolarHBondContact O-SG 3.33Å; R200-C203 PolarHBondContact O-N 3.49Å; Y201-C203 PolarHBondContact O-N 3.5Å; C203-S207 VanDerWaalsContact O-CB 3.31Å; C203-S207 WeakPolarHBondContact O-CB 3.5Å; C203-S207 PolarHBondContact O-N 2.9Å; C203-S207 PolarHBondContact O-OG 3Å |
| 204 | Q | 88.4 | Confident | 86.5 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.7 | -52.2 | 175.8 | -75.7 | 174.7 | -2.5 | 0 | 0 | 110.5 | R200 Y201 H202 Y206 S207 E208 | R200-Q204 VanDerWaalsContact O-CG 3.31Å; R200-Q204 WeakPolarHBondContact O-CG 3.4Å; R200-Q204 PolarHBondContact O-N 2.87Å; Y201-Q204 WeakPolarHBondContact O-CB 3.47Å; Y201-Q204 PolarHBondContact O-N 3.42Å; H202-Q204 VanDerWaalsContact C-N 3.33Å; Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 PolarHBondContact O-N 2.78Å; Q204-S207 PolarHBondContact O-N 3.4Å; Q204-S207 PolarHBondContact O-OG 3.49Å; Q204-E208 PolarHBondContact O-N 3Å |
| 205 | L | 87.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 178 | -174.6 | 64.5 | 0 | 0 | 0 | 111.9 | W127 E136 L140 Y201 H202 S207 E208 W209 | W127-L205 HydrophobicContact CZ2-CD2 4.48Å; E136-L205 HydrophobicContact CB-CD2 4.32Å; E136-L205 HydrophobicContact CG-CD2 4.3Å; L140-L205 HydrophobicContact CD1-CD2 4.3Å; Y201-L205 HydrophobicContact CE1-CD2 4.47Å; Y201-L205 PolarHBondContact O-N 2.82Å; H202-L205 PolarHBondContact O-N 3.16Å; L205-S207 PolarHBondContact O-N 3.37Å; L205-E208 PolarHBondContact O-N 3.43Å; L205-W209 WeakPolarHBondContact O-CB 3.21Å; L205-W209 PolarHBondContact O-N 2.89Å |
| 206 | Y | 84.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.7 | 177.6 | -111 | 0 | 0 | 0 | 112.5 | L124 W127 H202 Q204 W209 R210 | L124-Y206 HydrophobicContact CD2-CD1 4.04Å; L124-Y206 HydrophobicContact CD2-CD2 3.72Å; L124-Y206 HydrophobicContact CD2-CE1 3.59Å; L124-Y206 HydrophobicContact CD2-CE2 3.27Å; L124-Y206 HydrophobicContact CD2-CG 4.09Å; L124-Y206 WeakPolarHBondContact CD2-OH 3.33Å; L124-Y206 HydrophobicContact CG-CE1 4.24Å; L124-Y206 HydrophobicContact CG-CE2 4.09Å; L124-Y206 WeakPolarHBondContact CG-OH 3.34Å; W127-Y206 HydrophobicContact CB-CD2 4.22Å; W127-Y206 HydrophobicContact CB-CE2 3.97Å; W127-Y206 AromaticContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CE2 4.31Å; W127-Y206 HydrophobicContact CE3-CD2 4.13Å; W127-Y206 AromaticContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CE2 4Å; H202-Y206 VanDerWaalsContact O-CB 3.25Å; H202-Y206 WeakPolarHBondContact O-CB 3.34Å; H202-Y206 PolarHBondContact O-N 3.41Å; Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 PolarHBondContact O-N 2.78Å; Y206-W209 HydrophobicContact CD2-CE3 4.48Å; Y206-W209 HydrophobicContact CE2-CE3 4.1Å; Y206-W209 HydrophobicContact CE2-CZ3 4.29Å; Y206-W209 PolarHBondContact O-N 2.92Å; Y206-R210 VanDerWaalsContact O-CB 3.3Å; Y206-R210 WeakPolarHBondContact O-CB 3.42Å; Y206-R210 PolarHBondContact O-N 3.31Å; Y206-R210 VanDerWaalsContact OH-CZ 3.25Å; Y206-R210 PolarHBondContact OH-NE 3.45Å; Y206-R210 VanDerWaalsContact OH-NE 3.07Å; Y206-R210 PolarHBondContact OH-NH2 3.42Å |
| 207 | S | 85.6 | Confident | 85.6 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 179.2 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | C203 Q204 L205 R210 R211 | C203-S207 VanDerWaalsContact O-CB 3.31Å; C203-S207 WeakPolarHBondContact O-CB 3.5Å; C203-S207 PolarHBondContact O-N 2.9Å; C203-S207 PolarHBondContact O-OG 3Å; Q204-S207 PolarHBondContact O-N 3.4Å; Q204-S207 PolarHBondContact O-OG 3.49Å; L205-S207 PolarHBondContact O-N 3.37Å; S207-R210 PolarHBondContact O-N 3.32Å; S207-R211 WeakPolarHBondContact O-CG 3.32Å; S207-R211 PolarHBondContact O-N 3Å |
| 208 | E | 86.4 | Confident | 85.3 | Confident | 133 Ų | 133 | 77.2 Ų | 77.2 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.8 | -45 | 175.6 | -68.8 | -154.4 | 159.8 | 0 | 0 | 111.3 | Q204 L205 R210 R211 T212 | Q204-E208 PolarHBondContact O-N 3Å; L205-E208 PolarHBondContact O-N 3.43Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3Å; E208-R211 PolarHBondContact O-N 3.08Å; E208-T212 WeakPolarHBondContact O-CG2 3.33Å; E208-T212 PolarHBondContact O-N 2.96Å; E208-T212 PolarHBondContact O-OG1 3.47Å |
| 209 | W | 83.8 | Confident | 85 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 11% | 0.114 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 173.6 | -179.2 | 94.2 | 0 | 0 | 0 | 111.5 | K122 E126 W127 L205 Y206 R211 T212 N213 | K122-W209 HydrophobicContact CB-CH2 3.63Å; K122-W209 HydrophobicContact CB-CZ3 3.9Å; K122-W209 HydrophobicContact CD-CH2 3.86Å; K122-W209 HydrophobicContact CD-CZ2 4.28Å; K122-W209 HydrophobicContact CG-CH2 4.4Å; E126-W209 HydrophobicContact CB-CH2 4.32Å; W127-W209 HydrophobicContact CB-CD2 4.18Å; W127-W209 HydrophobicContact CB-CE3 3.9Å; W127-W209 HydrophobicContact CB-CH2 3.8Å; W127-W209 HydrophobicContact CB-CZ2 4.06Å; W127-W209 HydrophobicContact CB-CZ3 3.72Å; W127-W209 AromaticContact CD1-CD1 3.7Å; W127-W209 AromaticContact CD1-CD2 3.33Å; W127-W209 AromaticContact CD1-CE2 3.68Å; W127-W209 AromaticContact CD1-CE3 3.74Å; W127-W209 AromaticContact CD1-CG 3.37Å; W127-W209 AromaticContact CD1-NE1 3.86Å; W127-W209 HydrophobicContact CG-CD2 4.08Å; W127-W209 HydrophobicContact CG-CE3 4.08Å; W127-W209 HydrophobicContact CG-CG 4.47Å; W127-W209 HydrophobicContact CG-CZ3 4.4Å; W127-W209 AromaticContact NE1-CG 3.88Å; L205-W209 WeakPolarHBondContact O-CB 3.21Å; L205-W209 PolarHBondContact O-N 2.89Å; Y206-W209 HydrophobicContact CD2-CE3 4.48Å; Y206-W209 HydrophobicContact CE2-CE3 4.1Å; Y206-W209 HydrophobicContact CE2-CZ3 4.29Å; Y206-W209 PolarHBondContact O-N 2.92Å; W209-R211 VanDerWaalsContact C-N 3.3Å; W209-R211 PolarHBondContact O-N 3.09Å; W209-T212 WeakPolarHBondContact CA-OG1 3.17Å; W209-T212 PolarHBondContact O-N 2.95Å; W209-T212 PolarHBondContact O-OG1 3.28Å; W209-N213 HydrophobicContact CD2-CB 4.06Å; W209-N213 HydrophobicContact CE3-CB 4.48Å; W209-N213 HydrophobicContact CH2-CB 4.4Å; W209-N213 HydrophobicContact CZ2-CB 3.98Å; W209-N213 PolarHBondContact NE1-ND2 2.92Å; W209-N213 VanDerWaalsContact O-CB 3.31Å; W209-N213 WeakPolarHBondContact O-CB 3.2Å; W209-N213 PolarHBondContact O-N 3.36Å; W209-N213 PolarHBondContact O-ND2 3.49Å |
| 210 | R | 83.5 | Confident | 84.5 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 179.4 | -179.9 | -175.3 | -83.3 | -125 | 7.2 | 112.2 | P121 Y206 S207 E208 Q214 | P121-R210 HydrophobicContact CB-CG 4.15Å; Y206-R210 VanDerWaalsContact O-CB 3.3Å; Y206-R210 WeakPolarHBondContact O-CB 3.42Å; Y206-R210 PolarHBondContact O-N 3.31Å; Y206-R210 VanDerWaalsContact OH-CZ 3.25Å; Y206-R210 PolarHBondContact OH-NE 3.45Å; Y206-R210 VanDerWaalsContact OH-NE 3.07Å; Y206-R210 PolarHBondContact OH-NH2 3.42Å; S207-R210 PolarHBondContact O-N 3.32Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å |
| 211 | R | 79.4 | Confident | 83.1 | Confident | 197 Ų | 197 | 76.1 Ų | 76.1 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.4 | -35.8 | 175.6 | -77.8 | -178.9 | 70.4 | 98.1 | -0.3 | 112.3 | S207 E208 W209 | S207-R211 WeakPolarHBondContact O-CG 3.32Å; S207-R211 PolarHBondContact O-N 3Å; E208-R211 PolarHBondContact O-N 3.08Å; W209-R211 VanDerWaalsContact C-N 3.3Å; W209-R211 PolarHBondContact O-N 3.09Å |
| 212 | T | 78.1 | Confident | 81.1 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -87.5 | -26.7 | -175.9 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | E208 W209 | E208-T212 WeakPolarHBondContact O-CG2 3.33Å; E208-T212 PolarHBondContact O-N 2.96Å; E208-T212 PolarHBondContact O-OG1 3.47Å; W209-T212 WeakPolarHBondContact CA-OG1 3.17Å; W209-T212 PolarHBondContact O-N 2.95Å; W209-T212 PolarHBondContact O-OG1 3.28Å |
| 213 | N | 78.9 | Confident | 79.2 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 31% | 0.31 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -108.3 | 48.8 | -175.2 | -72.5 | -93.8 | 0 | 0 | 0 | 112.6 | K122 W209 | K122-N213 HydrophobicContact CD-CB 4.39Å; K122-N213 VanDerWaalsContact CD-O 3.27Å; K122-N213 WeakPolarHBondContact CD-O 3.37Å; K122-N213 WeakPolarHBondContact CG-O 3.39Å; W209-N213 HydrophobicContact CD2-CB 4.06Å; W209-N213 HydrophobicContact CE3-CB 4.48Å; W209-N213 HydrophobicContact CH2-CB 4.4Å; W209-N213 HydrophobicContact CZ2-CB 3.98Å; W209-N213 PolarHBondContact NE1-ND2 2.92Å; W209-N213 VanDerWaalsContact O-CB 3.31Å; W209-N213 WeakPolarHBondContact O-CB 3.2Å; W209-N213 PolarHBondContact O-N 3.36Å; W209-N213 PolarHBondContact O-ND2 3.49Å |
| 214 | Q | 82.3 | Confident | 76.9 | Confident | 52 Ų | 52 | 87.9 Ų | 87.9 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 136.6 | 175.1 | -61.7 | -176.3 | -52.3 | 0 | 0 | 110.6 | R119 R210 | R119-Q214 HydrophobicContact CB-CB 4.36Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å |
| 215 | K | 82.2 | Confident | 74.5 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 45% | 0.452 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.7 | 173 | -169.5 | 169.8 | -176.6 | 170.5 | 0 | 108.8 | R120 | R120-K215 PolarHBondContact N-O 3.5Å; R120-K215 PolarHBondContact O-N 2.8Å |
| 216 | V | 85.6 | Confident | 72.3 | Confident | 1 Ų | 1 | 93.7 Ų | 93.7 | 1% | 0.006 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.4 | 177 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | E97 L100 S101 I117 R119 | E97-V216 WeakPolarHBondContact CB-O 3.29Å; L100-V216 HydrophobicContact CB-CB 4.04Å; L100-V216 HydrophobicContact CB-CG1 3.8Å; L100-V216 HydrophobicContact CB-CG2 4.18Å; L100-V216 HydrophobicContact CD1-CG1 4.11Å; S101-V216 WeakPolarHBondContact OG-CB 3.24Å; S101-V216 PolarHBondContact OG-N 2.88Å; I117-V216 HydrophobicContact CB-CG1 3.69Å; I117-V216 HydrophobicContact CD1-CG1 3.77Å; I117-V216 HydrophobicContact CD1-CG2 4.45Å; I117-V216 HydrophobicContact CG1-CG1 4.35Å; I117-V216 HydrophobicContact CG2-CG1 3.58Å; R119-V216 HydrophobicContact CG-CG2 4.24Å |
| 217 | R | 86.3 | Confident | 70 | Confident | 145 Ų | 145 | 96.3 Ų | 96.3 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136 | 167.8 | -75.9 | -162.2 | 175.3 | -155.6 | -0.3 | 110.1 | E97 I117 E118 | E97-R217 WeakPolarHBondContact OE1-CA 3.3Å; I117-R217 CarbonylContact C-O 3.56Å; I117-R217 VanDerWaalsContact CA-O 3.32Å; I117-R217 WeakPolarHBondContact CA-O 3.41Å; E118-R217 PolarHBondContact N-O 2.96Å; E118-R217 PolarHBondContact O-N 3.43Å |
| 218 | L | 86.8 | Confident | 67.8 | Low | 14 Ų | 14 | 98.7 Ų | 98.7 | 7% | 0.073 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.1 | 176.4 | -74.6 | 161.1 | 0 | 0 | 0 | 109.7 | K93 L96 E97 L100 F115 I117 I220 | K93-L218 HydrophobicContact CG-CD1 4.25Å; L96-L218 HydrophobicContact CB-CD1 3.9Å; L96-L218 HydrophobicContact CD2-CD1 3.6Å; L96-L218 HydrophobicContact CD2-CD2 4.09Å; L96-L218 HydrophobicContact CD2-CG 4.48Å; L96-L218 HydrophobicContact CG-CD1 3.8Å; E97-L218 HydrophobicContact CG-CB 4.22Å; E97-L218 HydrophobicContact CG-CD1 3.84Å; E97-L218 HydrophobicContact CG-CG 3.87Å; E97-L218 PolarHBondContact OE1-N 3.41Å; L100-L218 HydrophobicContact CD1-CD2 3.93Å; L100-L218 HydrophobicContact CD1-CG 4.46Å; F115-L218 HydrophobicContact CB-CD2 4.21Å; I117-L218 HydrophobicContact CG2-CD2 3.79Å; L218-I220 HydrophobicContact CB-CG1 4.34Å; L218-I220 PolarHBondContact O-N 3.5Å |
| 219 | L | 84.3 | Confident | 65.5 | Low | 91 Ų | 91 | 96.8 Ų | 96.8 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | trans | -88 | 84.6 | 167.5 | -61.4 | 177.2 | 0 | 0 | 0 | 106.8 | S116 E118 P221 | S116-L219 WeakPolarHBondContact CB-O 3.28Å; S116-L219 PolarHBondContact O-N 3.41Å; E118-L219 HydrophobicContact CB-CD1 4.18Å; E118-L219 HydrophobicContact CB-CD2 4.33Å; E118-L219 HydrophobicContact CB-CG 4.21Å; L219-P221 VanDerWaalsContact O-CD 3.31Å; L219-P221 WeakPolarHBondContact O-CD 3.2Å | ||
| 220 | I | 77.6 | Confident | 63.5 | Low | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | trans | -72.4 | 118.1 | 168.8 | -55.5 | 168 | 0 | 0 | 0 | 104.7 | L79 K93 L218 E222 | L79-I220 HydrophobicContact CD2-CD1 3.62Å; K93-I220 HydrophobicContact CD-CD1 4.02Å; K93-I220 HydrophobicContact CG-CD1 4.36Å; L218-I220 HydrophobicContact CB-CG1 4.34Å; L218-I220 PolarHBondContact O-N 3.5Å; I220-E222 PolarHBondContact O-N 3.29Å | ||
| 221 | P | 61.1 | Low | 61.5 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 67% | 0.669 | 55% | 0.545 | S | S | * | . | trans | -53.4 | 122.9 | 169.6 | -19.6 | 31.3 | 0 | 0 | 0 | 106.1 | L219 A223 | L219-P221 VanDerWaalsContact O-CD 3.31Å; L219-P221 WeakPolarHBondContact O-CD 3.2Å; P221-A223 PolarHBondContact O-N 2.88Å | ||
| 222 | E | 47.4 | Very low | 59.8 | Low | 174 Ų | 174 | 97.6 Ų | 97.6 | 81% | 0.813 | 53% | 0.53 | S | S | * | . | trans | -61.2 | 85.1 | 172.4 | -75.6 | -171.8 | 117.9 | 0 | 0 | 107.6 | I220 K224 | I220-E222 PolarHBondContact O-N 3.29Å; E222-K224 PolarHBondContact O-N 2.95Å | ||
| 223 | A | 46.8 | Very low | 58.5 | Low | 95 Ų | 95 | 99.5 Ų | 99.5 | 79% | 0.785 | 54% | 0.536 | S | S | * | . | trans | -71 | 74.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106 | P221 | P221-A223 PolarHBondContact O-N 2.88Š| ||
| 224 | K | 38.8 | Very low | 57.2 | Low | 150 Ų | 150 | 102.2 Ų | 102.2 | 65% | 0.652 | 55% | 0.55 | S | S | * | . | trans | 56.4 | 76.4 | 152.3 | -154.2 | 176.5 | -173.6 | 179.1 | 0 | 114.1 | E222 S226 | E222-K224 PolarHBondContact O-N 2.95Å; K224-S226 WeakPolarHBondContact CG-OG 3.33Å; K224-S226 PolarHBondContact O-N 3.37Å | ||
| 225 | E | 38.7 | Very low | 55.7 | Low | 190 Ų | 190 | 102.5 Ų | 102.5 | 89% | 0.888 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -69 | 44.8 | 152.7 | -73.4 | -163 | 161.6 | 0 | 0 | 111.5 | ||
| 226 | S | 40.2 | Very low | 54.3 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 54% | 0.538 | 56% | 0.563 | S | S | . | * | trans | -138.5 | 60.2 | 178.8 | 80.9 | 0 | 0 | 0 | 0 | 111.1 | K224 | K224-S226 WeakPolarHBondContact CG-OG 3.33Å; K224-S226 PolarHBondContact O-N 3.37Å | ||
| 227 | S | 37.4 | Very low | 52.7 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 60% | 0.601 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -162.3 | 5.7 | 160.7 | 61.1 | 0 | 0 | 0 | 0 | 117.5 | ||
| 228 | S | 37.8 | Very low | 51.1 | Low | 103 Ų | 103 | 110.2 Ų | 110.2 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -94 | -36.7 | 175 | -165.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 229 | S | 38.5 | Very low | 49.3 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -84.2 | -15.4 | -175.8 | -47.1 | 0 | 0 | 0 | 0 | 114.9 | S232 L233 | S229-S232 PolarHBondContact O-OG 2.85Å; S229-L233 WeakPolarHBondContact O-CD1 3.42Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å |
| 230 | Q | 42.3 | Very low | 47.6 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 66% | 0.659 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -93.7 | -28.6 | 177.5 | -73.3 | -169.2 | -12.1 | 0 | 0 | 113.5 | S232 L233 L234 | Q230-S232 VanDerWaalsContact C-N 3.35Å; Q230-L233 PolarHBondContact O-N 3.17Å; Q230-L234 WeakPolarHBondContact O-CB 3.45Å; Q230-L234 PolarHBondContact O-N 3.36Å |
| 231 | H | 41.3 | Very low | 46.2 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.9 | -31.1 | 179.3 | -148.8 | -101.5 | 0 | 0 | 0 | 111.8 | S235 | H231-S235 WeakPolarHBondContact O-CB 3.19Å; H231-S235 PolarHBondContact O-N 3.32Å; H231-S235 PolarHBondContact O-OG 2.97Å |
| 232 | S | 43.8 | Very low | 45.8 | Very low | 59 Ų | 59 | 117.5 Ų | 117.5 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.7 | -36.9 | 172.7 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | S229 Q230 N236 | S229-S232 PolarHBondContact O-OG 2.85Å; Q230-S232 VanDerWaalsContact C-N 3.35Å; S232-N236 VanDerWaalsContact O-CB 3.31Å; S232-N236 WeakPolarHBondContact O-CB 3.31Å; S232-N236 PolarHBondContact O-N 3.47Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.34Å; S232-N236 VanDerWaalsContact O-ND2 3.17Å |
| 233 | L | 51.1 | Low | 46 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.9 | -39.1 | 177.7 | -68.9 | 176.1 | 0 | 0 | 0 | 112.8 | S229 Q230 K237 | S229-L233 WeakPolarHBondContact O-CD1 3.42Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; Q230-L233 PolarHBondContact O-N 3.17Å; L233-K237 WeakPolarHBondContact O-CB 3.45Å; L233-K237 PolarHBondContact O-N 3.09Å |
| 234 | L | 51.3 | Low | 46.3 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -40.7 | 174.9 | -93.2 | 151.4 | 0 | 0 | 0 | 112.1 | Q230 N236 K237 L238 | Q230-L234 WeakPolarHBondContact O-CB 3.45Å; Q230-L234 PolarHBondContact O-N 3.36Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.07Å; L234-K237 PolarHBondContact O-N 3.28Å; L234-L238 PolarHBondContact O-N 3.14Å |
| 235 | S | 51.4 | Low | 46.7 | Very low | 57 Ų | 57 | 113.7 Ų | 113.7 | 40% | 0.399 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64 | -39.4 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | H231 K239 | H231-S235 WeakPolarHBondContact O-CB 3.19Å; H231-S235 PolarHBondContact O-N 3.32Å; H231-S235 PolarHBondContact O-OG 2.97Å; S235-K239 WeakPolarHBondContact O-CB 3.39Å; S235-K239 PolarHBondContact O-N 3.32Å; S235-K239 VanDerWaalsContact O-N 3.15Å |
| 236 | N | 51.8 | Low | 47.2 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.9 | -32.3 | 176.7 | -74.5 | -22.5 | 0 | 0 | 0 | 112.8 | S232 L234 K240 | S232-N236 VanDerWaalsContact O-CB 3.31Å; S232-N236 WeakPolarHBondContact O-CB 3.31Å; S232-N236 PolarHBondContact O-N 3.47Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.34Å; S232-N236 VanDerWaalsContact O-ND2 3.17Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.07Å; N236-K240 WeakPolarHBondContact O-CB 3.43Å; N236-K240 PolarHBondContact O-N 3.4Å; N236-K240 VanDerWaalsContact O-N 3.08Å |
| 237 | K | 51.6 | Low | 47.2 | Very low | 167 Ų | 167 | 117.9 Ų | 117.9 | 73% | 0.726 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70 | -39.7 | 175.2 | -124.3 | -172.3 | 178.9 | -169.4 | 0 | 112.4 | L233 L234 K240 S241 | L233-K237 WeakPolarHBondContact O-CB 3.45Å; L233-K237 PolarHBondContact O-N 3.09Å; L234-K237 PolarHBondContact O-N 3.28Å; K237-K240 PolarHBondContact O-N 3.23Å; K237-S241 PolarHBondContact O-N 3.02Å |
| 238 | L | 53.1 | Low | 47.7 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.6 | -39.3 | 177.9 | -142.4 | 83.7 | 0 | 0 | 0 | 111.5 | L234 S241 A242 | L234-L238 PolarHBondContact O-N 3.14Å; L238-S241 PolarHBondContact O-N 2.92Å; L238-A242 PolarHBondContact O-N 3.18Å |
| 239 | K | 49.5 | Very low | 48.2 | Very low | 162 Ų | 162 | 120.3 Ų | 120.3 | 70% | 0.704 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.3 | -35.9 | 177.6 | -146.3 | 171.5 | -172.1 | -179.4 | 0 | 112.3 | S235 S243 | S235-K239 WeakPolarHBondContact O-CB 3.39Å; S235-K239 PolarHBondContact O-N 3.32Å; S235-K239 VanDerWaalsContact O-N 3.15Å; K239-S243 PolarHBondContact O-OG 3.32Å; K239-S243 VanDerWaalsContact O-OG 3.07Å |
| 240 | K | 49.2 | Very low | 48.8 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.2 | -29.3 | 177 | -163.5 | 170.8 | -176.1 | 176.6 | 0 | 113.3 | N236 K237 | N236-K240 WeakPolarHBondContact O-CB 3.43Å; N236-K240 PolarHBondContact O-N 3.4Å; N236-K240 VanDerWaalsContact O-N 3.08Å; K237-K240 PolarHBondContact O-N 3.23Å |
| 241 | S | 48.1 | Very low | 49.2 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76 | -29.7 | 177.3 | -164.4 | 0 | 0 | 0 | 0 | 113.3 | K237 L238 S245 | K237-S241 PolarHBondContact O-N 3.02Å; L238-S241 PolarHBondContact O-N 2.92Å; S241-S245 PolarHBondContact O-OG 3.29Å |
| 242 | A | 51 | Low | 49.7 | Very low | 63 Ų | 63 | 119.4 Ų | 119.4 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75.9 | -21.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L238 | L238-A242 PolarHBondContact O-N 3.18Å |
| 243 | S | 53.5 | Low | 50 | Low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -90.9 | -7.9 | -179.5 | -44.5 | 0 | 0 | 0 | 0 | 114.6 | K239 | K239-S243 PolarHBondContact O-OG 3.32Å; K239-S243 VanDerWaalsContact O-OG 3.07Å |
| 244 | Q | 52.5 | Low | 50 | Low | 157 Ų | 157 | 123.6 Ų | 123.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -104.4 | 2.6 | -179.6 | -75.8 | -173.8 | -28.1 | 0 | 0 | 113.8 | ||
| 245 | S | 46.8 | Very low | 49.9 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -110 | 9.6 | -179.5 | 39.4 | 0 | 0 | 0 | 0 | 113.8 | S241 | S241-S245 PolarHBondContact O-OG 3.29Š|
| 246 | I | 49.9 | Very low | 49.7 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -130.7 | 67.8 | 174.4 | -48.5 | 176.2 | 0 | 0 | 0 | 108.9 | ||||
| 247 | V | 39.8 | Very low | 49.6 | Very low | 211 Ų | 211 | 132 Ų | 132 | 100% | 1.279 | 72% | 0.719 | S | S | * | * | trans | -151.5 | 0 | 151.7 | -177 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 247 of 247 residues in 370.4 ms
(Link to these results)