| 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 | 49.7 | Very low | 36.3 | Very low | 250 Ų | 250 | 147.6 Ų | 147.6 | 100% | 1.232 | 82% | 0.817 | S | S | * | * | 0 | 106.4 | 0 | -72.6 | 171.8 | 175.2 | 0 | 0 | 108.1 | |||||
| 2 | N | 35 | Very low | 35.7 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 168.1 | 168.5 | -128 | 25.4 | 0 | 0 | 0 | 108 | ||||
| 3 | P | 40.7 | Very low | 35.7 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 59% | 0.591 | 80% | 0.8 | S | S | * | * | cis | -142.3 | -162.4 | -43.6 | 32 | -9.3 | 0 | 0 | 0 | 112.2 | ||||
| 4 | L | 36.7 | Very low | 35.4 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 97.9 | 90.7 | 154.8 | -99.5 | 84.9 | 0 | 0 | 0 | 119.1 | ||||
| 5 | S | 40.1 | Very low | 35.3 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -58.9 | 140.5 | 154.8 | 50 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 6 | Q | 34.9 | Very low | 35.3 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -56.9 | 121.3 | -174.7 | -67.5 | 165.9 | -0 | 0 | 0 | 114.7 | ||||
| 7 | Q | 33.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -97.1 | 112.2 | 149.9 | -82.7 | -177.1 | -14.1 | 0 | 0 | 108.2 | S9 | Q7-S9 PolarHBondContact O-N 3.31Å; Q7-S9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | H | 34.7 | Very low | 35.1 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -75.3 | 99.7 | 165.8 | -85.3 | -92.3 | 0 | 0 | 0 | 109.4 | V10 | H8-V10 PolarHBondContact O-N 3.37Š| ||
| 9 | S | 29.3 | Very low | 34.9 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 107.9 | 168.4 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | Q7 A11 | Q7-S9 PolarHBondContact O-N 3.31Å; Q7-S9 VanDerWaalsContact O-N 3.13Å; S9-A11 PolarHBondContact O-N 3Å; S9-A11 VanDerWaalsContact O-N 3.1Å; S9-A11 PolarHBondContact OG-N 3.47Å | ||
| 10 | V | 32.3 | Very low | 34.9 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -72.7 | 85.1 | 150.1 | -90.7 | 0 | 0 | 0 | 0 | 106.8 | H8 S12 | H8-V10 PolarHBondContact O-N 3.37Å; V10-S12 PolarHBondContact O-N 3.2Å | ||
| 11 | A | 32.6 | Very low | 34.7 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -64.5 | 101.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | S9 I13 | S9-A11 PolarHBondContact O-N 3Å; S9-A11 VanDerWaalsContact O-N 3.1Å; S9-A11 PolarHBondContact OG-N 3.47Å; A11-I13 PolarHBondContact O-N 2.87Å | ||
| 12 | S | 29 | Very low | 34.1 | Very low | 89 Ų | 89 | 126.2 Ų | 126.2 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | 32.2 | 87.2 | 141.1 | -157.5 | 0 | 0 | 0 | 0 | 117.8 | V10 G14 | V10-S12 PolarHBondContact O-N 3.2Å; S12-G14 PolarHBondContact OG-N 3.45Å | ||
| 13 | I | 35.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -100.3 | 55.9 | 134.7 | -54.4 | 176.3 | 0 | 0 | 0 | 106.1 | A11 | A11-I13 PolarHBondContact O-N 2.87Š| ||
| 14 | G | 31.6 | Very low | 33.6 | Very low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | -106.2 | -1.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S12 | S12-G14 PolarHBondContact OG-N 3.45Š| ||
| 15 | S | 33.8 | Very low | 33.3 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -106.4 | 4.4 | -171.7 | 49.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 16 | L | 36.5 | Very low | 33 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -106.2 | 7.4 | 178.2 | -78.5 | 166.3 | 0 | 0 | 0 | 115.1 | ||
| 17 | L | 35.1 | Very low | 32.8 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 61% | 0.607 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -103.9 | 17 | 170.7 | -74 | 169.6 | 0 | 0 | 0 | 113.1 | ||
| 18 | G | 31.5 | Very low | 32.9 | Very low | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | -85 | -11.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 19 | N | 31.7 | Very low | 32.8 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -121.6 | 68 | -176.5 | -88.5 | 21.4 | 0 | 0 | 0 | 112.4 | ||||
| 20 | L | 34.4 | Very low | 32.9 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | trans | -102.9 | 112.3 | 156.4 | -88.3 | 155.1 | 0 | 0 | 0 | 107.4 | L22 | L20-L22 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | P | 30.7 | Very low | 33 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -69.2 | 112.8 | 175.1 | 26.8 | -29 | 0 | 0 | 0 | 108.6 | ||||
| 22 | L | 36.9 | Very low | 32.9 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -94.9 | 95.8 | 161.1 | -74.7 | 170.4 | 0 | 0 | 0 | 106.8 | L20 | L20-L22 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact O-N 3.14Å | ||
| 23 | Q | 30.5 | Very low | 33.2 | Very low | 199 Ų | 199 | 131 Ų | 131 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -73.6 | 132.8 | 164.3 | -90.4 | 169.6 | -36.1 | 0 | 0 | 109.4 | ||||
| 24 | G | 33.7 | Very low | 33.3 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 167.4 | 89.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 25 | D | 30.3 | Very low | 33.9 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -48.7 | 149.3 | 178.7 | -95.5 | -47.9 | 0 | 0 | 0 | 116.6 | ||||
| 26 | S | 34.6 | Very low | 34.1 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 145.5 | 100.3 | 125.2 | -57.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 27 | S | 31.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 58.5 | 135.1 | 130.9 | 59.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 28 | L | 34.7 | Very low | 33.9 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 94.9 | 99.9 | 154 | -96.9 | 74.1 | 0 | 0 | 0 | 121.6 | ||||
| 29 | Q | 33.1 | Very low | 33.9 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 44.4 | 140.5 | 117.7 | -71.8 | 177.2 | -0.2 | 0 | 0 | 119.5 | |||||
| 30 | Q | 31.1 | Very low | 34.1 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | cis | -177.3 | 157.8 | -1.6 | -164 | 178.1 | 24.3 | 0 | 0 | 107.2 | ||||
| 31 | K | 33.6 | Very low | 34.1 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | 104.8 | 135.1 | 158.8 | -67.4 | -174.4 | 174.4 | 176.9 | 0 | 120 | ||||
| 32 | T | 30 | Very low | 34 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -128.9 | -171.4 | -158.7 | -25.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 33 | P | 36.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | -119.8 | -170.6 | -109 | 43.1 | -24.5 | 0 | 0 | 0 | 114.5 | |||||
| 34 | L | 36.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -158.4 | 161.9 | 154.2 | -97 | 137.7 | 0 | 0 | 0 | 113.2 | ||||
| 35 | I | 44.9 | Very low | 34.1 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | trans | -103.5 | -171.1 | -145.7 | -11 | 176.2 | 0 | 0 | 0 | 114.1 | ||||
| 36 | P | 36.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -126.9 | -172 | -139.5 | 35.9 | -9.7 | 0 | 0 | 0 | 115.5 | ||||
| 37 | G | 33.1 | Very low | 34.7 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | 162.6 | 138.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 38 | G | 35.3 | Very low | 34.9 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 143.4 | 104.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 39 | S | 32.3 | Very low | 35 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -114.4 | 143.4 | 172.1 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | V | 35.9 | Very low | 35.3 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | trans | -144.7 | 145.6 | 165.8 | -150.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 41 | N | 32.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -85.3 | 167.6 | -161.9 | -95.1 | -23.4 | 0 | 0 | 0 | 117.4 | ||||
| 42 | L | 30.2 | Very low | 36.1 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | -77.1 | 159.1 | 178.7 | -71.5 | 139.6 | 0 | 0 | 0 | 115.3 | ||||
| 43 | N | 31.5 | Very low | 36.9 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | -133 | 137.9 | 159.4 | -119.3 | 30.1 | 0 | 0 | 0 | 111 | ||||
| 44 | L | 33.1 | Very low | 37.2 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -120.8 | 144.9 | 178.1 | -92.9 | 144.8 | 0 | 0 | 0 | 109.1 | ||||
| 45 | H | 36.7 | Very low | 37.2 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -147 | 140.5 | 160.3 | -126.2 | -102.7 | 0 | 0 | 0 | 110.1 | ||||
| 46 | A | 35.9 | Very low | 37 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 82% | 0.823 | S | S | * | * | trans | -128.2 | 155.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 47 | S | 42.2 | Very low | 36.9 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | 165.6 | 146.9 | 161.5 | 43.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 48 | D | 35.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | cis | -173.5 | 170.6 | -11.8 | -112 | -31.2 | 0 | 0 | 0 | 107 | ||||
| 49 | N | 38.4 | Very low | 37.1 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 112 | 92.3 | 161.1 | -69.1 | -17.6 | 0 | 0 | 0 | 120.9 | ||||
| 50 | A | 39.1 | Very low | 37.2 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | 54.8 | 121 | 110.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 51 | A | 38.8 | Very low | 37.3 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | 132.7 | 120.2 | 120.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 52 | S | 42.2 | Very low | 37.9 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 65 | 94.2 | 143.1 | 58.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 53 | I | 47.9 | Very low | 38.3 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 29.2 | 148.4 | 108.1 | -40.4 | 164.8 | 0 | 0 | 0 | 119.3 | |||||
| 54 | P | 41.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | -143.2 | -168.5 | -52.8 | 43.7 | -23.3 | 0 | 0 | 0 | 114.7 | |||||
| 55 | S | 37.1 | Very low | 39.3 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 91 | 103.9 | 150.1 | 77.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 56 | R | 40.2 | Very low | 40.1 | Very low | 245 Ų | 245 | 130.6 Ų | 130.6 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | 166.4 | 116.7 | 118.2 | -92.5 | 175.3 | 120.4 | -169.6 | 0.2 | 109.3 | |||||
| 57 | T | 34.5 | Very low | 40.3 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -69.4 | 158.1 | 162.2 | 41.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 58 | P | 36.9 | Very low | 40.3 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -139.6 | 160.4 | 97.1 | 20.7 | 1 | 0 | 0 | 0 | 115.6 | |||||
| 59 | C | 37.3 | Very low | 40.7 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -60.6 | 151.2 | -173.4 | -54.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 60 | T | 34.1 | Very low | 40.6 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -158.7 | 117.4 | 136.4 | -13.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 61 | P | 37.7 | Very low | 41 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | -91 | 128.8 | 171.9 | 32.2 | -26.9 | 0 | 0 | 0 | 110.8 | T63 | P61-T63 PolarHBondContact O-N 3.02Å; P61-T63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | L | 45.1 | Very low | 41.4 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 93.7 | 171.5 | -71.8 | 171.3 | 0 | 0 | 0 | 109.9 | ||||
| 63 | T | 38.1 | Very low | 42.3 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 119 | 163.7 | 29.7 | 0 | 0 | 0 | 0 | 110.9 | P61 S65 | P61-T63 PolarHBondContact O-N 3.02Å; P61-T63 VanDerWaalsContact O-N 3.15Å; T63-S65 PolarHBondContact O-N 3.15Å | ||
| 64 | L | 41 | Very low | 43.8 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 89.4 | 159.7 | -106.7 | 138.6 | 0 | 0 | 0 | 107.8 | T66 | L64-T66 PolarHBondContact O-N 2.87Š| ||
| 65 | S | 45.6 | Very low | 46 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -71.4 | 108 | 171.1 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | T63 | T63-S65 PolarHBondContact O-N 3.15Š| ||
| 66 | T | 52.5 | Low | 48.7 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -63.8 | 136.4 | 156.4 | -28.6 | 0 | 0 | 0 | 0 | 107.6 | L64 L68 | L64-T66 PolarHBondContact O-N 2.87Å; T66-L68 PolarHBondContact O-N 3.45Å; T66-L68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | P | 39.7 | Very low | 51.3 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -58 | 123 | 177.9 | -19.4 | 30.2 | 0 | 0 | 0 | 109.9 | Q69 | P67-Q69 PolarHBondContact O-N 3.28Š| ||
| 68 | L | 42.1 | Very low | 54.3 | Low | 169 Ų | 169 | 119.3 Ų | 119.3 | 89% | 0.885 | 70% | 0.697 | S | S | * | * | trans | -62.7 | 90.2 | 164.5 | -72.7 | 173 | 0 | 0 | 0 | 107.8 | T66 D70 | T66-L68 PolarHBondContact O-N 3.45Å; T66-L68 VanDerWaalsContact O-N 3.14Å; L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.32Å | ||
| 69 | Q | 44.4 | Very low | 57.1 | Low | 147 Ų | 147 | 119.4 Ų | 119.4 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | trans | -94.4 | 77 | 155.6 | -132.3 | 167.5 | 17.1 | 0 | 0 | 106.5 | P67 R71 R180 | P67-Q69 PolarHBondContact O-N 3.28Å; Q69-R71 PolarHBondContact O-N 3.29Å; Q69-R180 PolarHBondContact O-NH1 3.22Å | ||
| 70 | D | 36.2 | Very low | 60 | Low | 146 Ų | 146 | 115.2 Ų | 115.2 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | trans | -83.4 | 91.6 | 161.2 | -142.3 | 8.8 | 0 | 0 | 0 | 105.8 | L68 | L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.32Å | ||
| 71 | R | 47.3 | Very low | 63 | Low | 208 Ų | 208 | 112.2 Ų | 112.2 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | trans | -126.1 | 113.4 | 165.3 | -80.7 | -162.3 | 161.6 | -170.3 | -5.4 | 107.1 | Q69 G73 | Q69-R71 PolarHBondContact O-N 3.29Å; R71-G73 PolarHBondContact O-N 3.28Å | ||
| 72 | D | 47.7 | Very low | 65.9 | Low | 168 Ų | 168 | 109.1 Ų | 109.1 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -16.5 | 119 | 170.9 | -84.5 | -45.2 | 0 | 0 | 0 | 115.2 | A74 | D72-A74 PolarHBondContact O-N 2.95Š|
| 73 | G | 61.7 | Low | 68.5 | Low | 83 Ų | 83 | 100.6 Ų | 100.6 | 86% | 0.856 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | -2.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | R71 I75 | R71-G73 PolarHBondContact O-N 3.28Å; G73-I75 PolarHBondContact O-N 3.35Å |
| 74 | A | 79.3 | Confident | 71.3 | Confident | 70 Ų | 70 | 95.2 Ų | 95.2 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 131.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D72 P76 | D72-A74 PolarHBondContact O-N 2.95Å; A74-P76 WeakPolarHBondContact O-CD 3.18Å |
| 75 | I | 87.3 | Confident | 74.1 | Confident | 85 Ų | 85 | 86.8 Ų | 86.8 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 124.5 | 173.3 | -61.2 | 179.1 | 0 | 0 | 0 | 108.2 | G73 F240 Y244 | G73-I75 PolarHBondContact O-N 3.35Å; I75-F240 HydrophobicContact CG2-CD1 4.19Å; I75-F240 HydrophobicContact CG2-CE1 3.66Å; I75-Y244 HydrophobicContact CB-CD1 4.49Å; I75-Y244 HydrophobicContact CB-CE1 4.29Å; I75-Y244 HydrophobicContact CD1-CD1 4.26Å; I75-Y244 HydrophobicContact CD1-CE1 4.45Å; I75-Y244 HydrophobicContact CG1-CD1 4.02Å; I75-Y244 HydrophobicContact CG1-CE1 3.78Å; I75-Y244 HydrophobicContact CG2-CD1 3.9Å; I75-Y244 HydrophobicContact CG2-CD2 4.5Å; I75-Y244 HydrophobicContact CG2-CE1 4.11Å; I75-Y244 HydrophobicContact CG2-CG 4.1Å |
| 76 | P | 93.1 | Very high | 76.6 | Confident | 15 Ų | 15 | 83.3 Ų | 83.3 | 10% | 0.097 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 139.9 | 177.2 | -27.5 | 37.5 | 0 | 0 | 0 | 111.8 | A74 C177 F240 Y244 | A74-P76 WeakPolarHBondContact O-CD 3.18Å; P76-C177 VanDerWaalsContact CB-SG 3.51Å; P76-F240 HydrophobicContact CB-CZ 4.22Å; P76-F240 WeakPolarHBondContact O-CE1 3.46Å; P76-Y244 HydrophobicContact CG-CE2 4.25Å |
| 77 | V | 95.2 | Very high | 78.8 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 122.7 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | Y237 | V77-Y237 HydrophobicContact CG1-CE1 4.24Š|
| 78 | P | 97.2 | Very high | 81.6 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 5% | 0.045 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -58 | 138.4 | 173.9 | -24.2 | 33.3 | 0 | 0 | 0 | 112.5 | S176 C177 L227 I236 Y237 F240 | P78-S176 WeakPolarHBondContact CA-O 3.33Å; P78-C177 HydrophobicContact CB-CB 4.18Å; P78-C177 HydrophobicContact CG-CB 4.14Å; P78-L227 HydrophobicContact CB-CD1 4.39Å; P78-I236 HydrophobicContact CB-CG2 3.8Å; P78-I236 HydrophobicContact CG-CG2 4.32Å; P78-Y237 HydrophobicContact CB-CD1 4.44Å; P78-Y237 HydrophobicContact CB-CE1 4.5Å; P78-Y237 HydrophobicContact CG-CD1 4.35Å; P78-F240 HydrophobicContact CG-CB 3.45Å; P78-F240 VanDerWaalsContact CG-CB 3.45Å; P78-F240 HydrophobicContact CG-CD1 3.87Å; P78-F240 HydrophobicContact CG-CD2 3.71Å; P78-F240 HydrophobicContact CG-CE2 4.41Å; P78-F240 HydrophobicContact CG-CG 3.38Å |
| 79 | Q | 97.3 | Very high | 84.3 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.3 | 176.2 | -64.8 | -175.7 | -16.2 | 0 | 0 | 110.5 | Q81 G175 S176 | Q79-Q81 PolarHBondContact O-N 3.07Å; Q79-G175 CarbonylContact O-C 3.56Å; Q79-G175 VanDerWaalsContact O-CA 3.31Å; Q79-G175 WeakPolarHBondContact O-CA 3.28Å; Q79-S176 PolarHBondContact N-O 3.31Å; Q79-S176 PolarHBondContact O-N 2.94Å |
| 80 | L | 97.5 | Very high | 86.8 | Confident | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.9 | 172.9 | -72 | 176.3 | 0 | 0 | 0 | 110.8 | I83 K140 E142 M173 R233 I236 | L80-I83 HydrophobicContact CD1-CD1 4.19Å; L80-K140 WeakPolarHBondContact CB-O 3.47Å; L80-E142 WeakPolarHBondContact CD1-OE2 3.48Å; L80-M173 HydrophobicContact CD2-CB 4.18Å; L80-M173 HydrophobicContact CD2-SD 4.37Å; L80-R233 HydrophobicContact CD1-CG 4.26Å; L80-I236 HydrophobicContact CD2-CD1 3.49Å; L80-I236 VanDerWaalsContact CD2-CD1 3.49Å |
| 81 | Q | 97.6 | Very high | 89.7 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -33.3 | -179.9 | -61.9 | -55.8 | -32.9 | 0 | 0 | 112.4 | Q79 V174 S176 | Q79-Q81 PolarHBondContact O-N 3.07Å; Q81-V174 PolarHBondContact N-O 3.5Å; Q81-S176 WeakPolarHBondContact CG-OG 3.5Å; Q81-S176 PolarHBondContact NE2-OG 3.32Å |
| 82 | N | 98.2 | Very high | 92.1 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 145 | 179.8 | -174.2 | 32.4 | 0 | 0 | 0 | 111.6 | T137 G138 A139 V174 | N82-T137 PolarHBondContact ND2-OG1 2.97Å; N82-G138 WeakPolarHBondContact OD1-CA 3.43Å; N82-G138 PolarHBondContact OD1-N 3.45Å; N82-A139 CarbonylContact C-O 3.59Å; N82-A139 VanDerWaalsContact CA-O 3.32Å; N82-A139 WeakPolarHBondContact CA-O 3.23Å; N82-V174 HydrophobicContact CB-CB 4.12Å; N82-V174 HydrophobicContact CB-CG2 4.28Å; N82-V174 PolarHBondContact N-O 2.86Å; N82-V174 PolarHBondContact O-N 2.96Å |
| 83 | I | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.9 | 170.5 | -58 | -172 | 0 | 0 | 0 | 108.7 | L80 A139 E142 A145 I170 M173 | L80-I83 HydrophobicContact CD1-CD1 4.19Å; I83-A139 PolarHBondContact N-O 2.83Å; I83-E142 HydrophobicContact CD1-CB 4.45Å; I83-E142 HydrophobicContact CD1-CG 3.88Å; I83-E142 VanDerWaalsContact CD1-N 3.35Å; I83-A145 HydrophobicContact CB-CB 4.31Å; I83-A145 HydrophobicContact CG2-CB 3.96Å; I83-I170 HydrophobicContact CG2-CD1 3.73Å; I83-I170 HydrophobicContact CG2-CG2 3.97Å; I83-M173 HydrophobicContact CD1-CE 4.24Å; I83-M173 HydrophobicContact CD1-CG 4.4Å; I83-M173 HydrophobicContact CG1-CG 4.19Å; I83-M173 HydrophobicContact CG2-CG 4.4Å |
| 84 | V | 98.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.4 | 171.7 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | V135 C136 Q171 N172 | V84-V135 HydrophobicContact CG1-CG1 3.82Å; V84-C136 WeakPolarHBondContact CA-O 3.47Å; V84-Q171 HydrophobicContact CG1-CB 4.44Å; V84-Q171 PolarHBondContact O-N 2.73Å; V84-N172 HydrophobicContact CB-CB 4.24Å; V84-N172 HydrophobicContact CG2-CB 4.47Å; V84-N172 PolarHBondContact N-O 3.13Å; V84-N172 PolarHBondContact O-N 2.83Å |
| 85 | C | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 159.5 | 176.5 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | V135 C136 F168 K169 I170 | C85-V135 CarbonylContact O-C 3.37Å; C85-V135 WeakPolarHBondContact O-CA 3.16Å; C85-C136 PolarHBondContact N-O 3.48Å; C85-C136 PolarHBondContact O-N 2.98Å; C85-F168 HydrophobicContact CB-CE2 3.81Å; C85-F168 HydrophobicContact CB-CZ 4.02Å; C85-K169 CarbonylContact C-O 3.5Å; C85-K169 VanDerWaalsContact CA-O 3.22Å; C85-K169 WeakPolarHBondContact CA-O 3.06Å; C85-K169 WeakPolarHBondContact CB-O 3.28Å; C85-I170 HydrophobicContact CB-CD1 3.7Å |
| 86 | T | 98.7 | Very high | 97.5 | Very high | 34 Ų | 34 | 48 Ų | 48 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 153.4 | 172.5 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | M134 V135 F168 K169 Q171 | T86-M134 CarbonylContact C-O 3.54Å; T86-M134 VanDerWaalsContact CA-O 3.24Å; T86-M134 WeakPolarHBondContact CA-O 3.48Å; T86-V135 HydrophobicContact CG2-CG2 3.97Å; T86-F168 WeakPolarHBondContact O-CA 3.39Å; T86-K169 PolarHBondContact N-O 2.85Å; T86-K169 PolarHBondContact O-N 3.23Å; T86-Q171 HydrophobicContact CG2-CG 3.56Å; T86-Q171 PolarHBondContact OG1-NE2 3.38Å |
| 87 | V | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 147.3 | 169.9 | 61.5 | 0 | 0 | 0 | 0 | 108.6 | M134 A149 F165 K166 | V87-M134 HydrophobicContact CG1-CB 3.84Å; V87-M134 HydrophobicContact CG1-CE 3.15Å; V87-M134 HydrophobicContact CG1-CG 4.24Å; V87-M134 PolarHBondContact N-O 3.38Å; V87-M134 PolarHBondContact O-N 2.87Å; V87-A149 HydrophobicContact CG1-CB 4.31Å; V87-F165 HydrophobicContact CB-CE2 4.35Å; V87-F165 HydrophobicContact CG2-CD2 3.65Å; V87-F165 HydrophobicContact CG2-CE2 3.72Å; V87-F165 HydrophobicContact CG2-CG 4.09Å; V87-F165 HydrophobicContact CG2-CZ 4.24Å; V87-K166 WeakPolarHBondContact CG2-O 3.23Å |
| 88 | Y | 98.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.8 | 172.3 | -179 | -134.5 | 0 | 0 | 0 | 110.2 | G90 S131 K133 K166 | Y88-G90 VanDerWaalsContact C-N 3.33Å; Y88-S131 WeakPolarHBondContact CE2-O 3.2Å; Y88-K133 HydrophobicContact CD2-CG 4.36Å; Y88-K166 HydrophobicContact CD1-CB 4.37Å; Y88-K166 PolarHBondContact N-O 3.23Å; Y88-K166 WeakPolarHBondContact O-CB 3.44Å; Y88-K166 PolarHBondContact O-N 2.91Å |
| 89 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -82.2 | -10.1 | -179.1 | -60.9 | 178 | 0 | 0 | 0 | 113.2 | C91 L93 I128 G132 M134 A153 I156 A163 H164 | L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 3.2Å; L89-L93 HydrophobicContact CD1-CD1 3.76Å; L89-I128 HydrophobicContact CD1-CG2 4.36Å; L89-G132 WeakPolarHBondContact CB-O 3.31Å; L89-G132 WeakPolarHBondContact CG-O 3.3Å; L89-G132 PolarHBondContact N-O 2.99Å; L89-M134 HydrophobicContact CD1-CB 4.32Å; L89-M134 HydrophobicContact CD2-CE 4.08Å; L89-M134 HydrophobicContact CG-CB 4.41Å; L89-A153 HydrophobicContact CD2-CB 3.71Å; L89-I156 HydrophobicContact CD1-CG1 4.28Å; L89-I156 HydrophobicContact CD1-CG2 4.43Å; L89-A163 HydrophobicContact CB-CB 4.17Å; L89-A163 HydrophobicContact CD2-CB 4.39Å; L89-A163 CarbonylContact O-C 3.55Å; L89-A163 WeakPolarHBondContact O-CA 3.25Å; L89-H164 VanDerWaalsContact CA-O 3.28Å; L89-H164 WeakPolarHBondContact CA-O 3.47Å; L89-H164 PolarHBondContact O-N 3.11Å | ||
| 90 | G | 97.2 | Very high | 97.6 | Very high | 25 Ų | 25 | 47 Ų | 47 | 26% | 0.258 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 76.9 | 3.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y88 | Y88-G90 VanDerWaalsContact C-N 3.33Š|
| 91 | C | 97.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -145.2 | 154.4 | 179.5 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | L89 G132 | L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 3.2Å; C91-G132 WeakPolarHBondContact O-CA 3.46Å |
| 92 | K | 97.7 | Very high | 97.3 | Very high | 188 Ų | 188 | 45.9 Ų | 45.9 | 82% | 0.817 | 24% | 0.244 | S | C | * | . | trans | -73.2 | 142 | 171 | -71.7 | -172.5 | 178.8 | 179.2 | 0 | 109.8 | S130 | K92-S130 WeakPolarHBondContact CA-O 3.39Š| ||
| 93 | L | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | trans | -120.3 | 132.2 | -173.3 | -63.2 | 177.1 | 0 | 0 | 0 | 111.7 | L89 L95 I98 I128 S130 I156 F161 | L89-L93 HydrophobicContact CD1-CD1 3.76Å; L93-L95 HydrophobicContact CB-CD2 4.22Å; L93-L95 PolarHBondContact O-N 3.49Å; L93-I98 HydrophobicContact CB-CD1 3.88Å; L93-I98 HydrophobicContact CD1-CD1 4.14Å; L93-I98 HydrophobicContact CD2-CD1 4.32Å; L93-I98 HydrophobicContact CG-CD1 4.34Å; L93-I128 HydrophobicContact CD1-CG2 3.45Å; L93-I128 VanDerWaalsContact CD1-CG2 3.45Å; L93-S130 PolarHBondContact N-O 2.89Å; L93-I156 HydrophobicContact CD1-CG2 4.42Å; L93-I156 HydrophobicContact CD2-CG2 3.82Å; L93-F161 HydrophobicContact CD2-CB 3.87Å; L93-F161 HydrophobicContact CD2-CD1 3.58Å; L93-F161 HydrophobicContact CD2-CD2 4.37Å; L93-F161 HydrophobicContact CD2-CE1 4.21Å; L93-F161 HydrophobicContact CD2-CG 3.67Å | ||
| 94 | N | 97.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | trans | -82.5 | 97.8 | 167.9 | -173.6 | -29.5 | 0 | 0 | 0 | 109.2 | K96 N97 I98 F161 | N94-K96 VanDerWaalsContact C-N 3.27Å; N94-K96 PolarHBondContact O-N 3.18Å; N94-K96 WeakPolarHBondContact OD1-CB 3.42Å; N94-K96 PolarHBondContact OD1-N 3.3Å; N94-K96 VanDerWaalsContact OD1-N 3.14Å; N94-N97 HydrophobicContact CB-CB 4.07Å; N94-N97 PolarHBondContact O-N 3.13Å; N94-N97 PolarHBondContact OD1-N 3.46Å; N94-N97 VanDerWaalsContact OD1-N 3.17Å; N94-I98 PolarHBondContact O-N 2.9Å; N94-I98 VanDerWaalsContact O-N 3.12Å; N94-F161 HydrophobicContact CB-CE1 4.33Å; N94-F161 HydrophobicContact CB-CZ 4.41Å | ||
| 95 | L | 97.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -34.8 | -177 | -62.4 | -166.8 | 0 | 0 | 0 | 113.3 | L93 I98 A99 Y107 V115 I128 | L93-L95 HydrophobicContact CB-CD2 4.22Å; L93-L95 PolarHBondContact O-N 3.49Å; L95-I98 HydrophobicContact CD2-CD1 4.41Å; L95-I98 PolarHBondContact O-N 3.14Å; L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 2.86Å; L95-Y107 HydrophobicContact CB-CD1 4.35Å; L95-Y107 HydrophobicContact CB-CD2 4.25Å; L95-Y107 HydrophobicContact CB-CE1 3.94Å; L95-Y107 HydrophobicContact CB-CE2 3.85Å; L95-Y107 HydrophobicContact CB-CG 4.49Å; L95-Y107 HydrophobicContact CD1-CD2 4.39Å; L95-Y107 HydrophobicContact CD1-CE2 3.66Å; L95-Y107 HydrophobicContact CG-CE2 4.43Å; L95-V115 HydrophobicContact CB-CG2 3.7Å; L95-V115 HydrophobicContact CD1-CG2 4.48Å; L95-V115 HydrophobicContact CD2-CG2 3.85Å; L95-V115 HydrophobicContact CG-CG2 4.19Å; L95-V115 WeakPolarHBondContact O-CG2 2.89Å; L95-I128 WeakPolarHBondContact CD2-O 3.38Å |
| 96 | K | 96.7 | Very high | 96.5 | Very high | 140 Ų | 140 | 66.6 Ų | 66.6 | 61% | 0.609 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 177.6 | -172.5 | 179.9 | -179.9 | -177.1 | 0 | 110.8 | N94 A99 L100 Y107 | N94-K96 VanDerWaalsContact C-N 3.27Å; N94-K96 PolarHBondContact O-N 3.18Å; N94-K96 WeakPolarHBondContact OD1-CB 3.42Å; N94-K96 PolarHBondContact OD1-N 3.3Å; N94-K96 VanDerWaalsContact OD1-N 3.14Å; K96-A99 PolarHBondContact O-N 3.48Å; K96-L100 HydrophobicContact CG-CD1 4.12Å; K96-L100 VanDerWaalsContact O-CG 3.3Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.45Å; K96-Y107 HydrophobicContact CB-CE1 4.44Å |
| 97 | N | 96.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.1 | -173 | 10.1 | 0 | 0 | 0 | 111.6 | N94 A99 L100 S101 F161 | N94-N97 HydrophobicContact CB-CB 4.07Å; N94-N97 PolarHBondContact O-N 3.13Å; N94-N97 PolarHBondContact OD1-N 3.46Å; N94-N97 VanDerWaalsContact OD1-N 3.17Å; N97-A99 PolarHBondContact O-N 3.4Å; N97-L100 PolarHBondContact O-N 3.24Å; N97-S101 WeakPolarHBondContact O-CB 3.4Å; N97-S101 PolarHBondContact O-N 3.45Å; N97-S101 PolarHBondContact O-OG 3.46Å; N97-S101 PolarHBondContact OD1-OG 3.45Å; N97-F161 HydrophobicContact CB-CZ 4.34Å |
| 98 | I | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 176.6 | -66 | 167.4 | 0 | 0 | 0 | 110.9 | L93 N94 L95 L100 S101 A102 V115 M117 I156 L159 F161 | L93-I98 HydrophobicContact CB-CD1 3.88Å; L93-I98 HydrophobicContact CD1-CD1 4.14Å; L93-I98 HydrophobicContact CD2-CD1 4.32Å; L93-I98 HydrophobicContact CG-CD1 4.34Å; N94-I98 PolarHBondContact O-N 2.9Å; N94-I98 VanDerWaalsContact O-N 3.12Å; L95-I98 HydrophobicContact CD2-CD1 4.41Å; L95-I98 PolarHBondContact O-N 3.14Å; I98-L100 PolarHBondContact O-N 3.14Å; I98-S101 PolarHBondContact O-N 2.98Å; I98-A102 VanDerWaalsContact O-CB 3.3Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 2.83Å; I98-V115 HydrophobicContact CB-CG2 4.46Å; I98-V115 HydrophobicContact CG2-CG1 4.1Å; I98-V115 HydrophobicContact CG2-CG2 4.4Å; I98-M117 HydrophobicContact CG2-CE 3.82Å; I98-I156 HydrophobicContact CD1-CD1 3.94Å; I98-I156 HydrophobicContact CG1-CD1 4.24Å; I98-I156 HydrophobicContact CG2-CD1 3.9Å; I98-L159 HydrophobicContact CB-CD1 4.39Å; I98-L159 HydrophobicContact CG1-CD1 4.29Å; I98-L159 HydrophobicContact CG2-CD1 3.99Å; I98-F161 HydrophobicContact CD1-CE2 4.06Å; I98-F161 HydrophobicContact CD1-CZ 4.22Å; I98-F161 HydrophobicContact CG1-CD2 4.25Å; I98-F161 HydrophobicContact CG1-CE2 3.43Å; I98-F161 VanDerWaalsContact CG1-CE2 3.43Å; I98-F161 HydrophobicContact CG1-CZ 3.75Å |
| 99 | A | 96.2 | Very high | 96.2 | Very high | 24 Ų | 24 | 72.8 Ų | 72.8 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L95 K96 N97 Y107 | L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 2.86Å; K96-A99 PolarHBondContact O-N 3.48Å; N97-A99 PolarHBondContact O-N 3.4Å; A99-Y107 VanDerWaalsContact CB-CB 3.47Å; A99-Y107 HydrophobicContact CB-CD1 4.45Å; A99-Y107 HydrophobicContact CB-CG 4.35Å |
| 100 | L | 95.2 | Very high | 96.1 | Very high | 136 Ų | 136 | 82.8 Ų | 82.8 | 71% | 0.712 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.9 | -34.2 | 176.5 | -70.3 | 170.8 | 0 | 0 | 0 | 112.4 | K96 N97 I98 | K96-L100 HydrophobicContact CG-CD1 4.12Å; K96-L100 VanDerWaalsContact O-CG 3.3Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.45Å; N97-L100 PolarHBondContact O-N 3.24Å; I98-L100 PolarHBondContact O-N 3.14Å |
| 101 | S | 94.6 | Very high | 96 | Very high | 63 Ų | 63 | 90.8 Ų | 90.8 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -88.1 | -29 | -174.1 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | N97 I98 | N97-S101 WeakPolarHBondContact O-CB 3.4Å; N97-S101 PolarHBondContact O-N 3.45Å; N97-S101 PolarHBondContact O-OG 3.46Å; N97-S101 PolarHBondContact OD1-OG 3.45Å; I98-S101 PolarHBondContact O-N 2.98Å |
| 102 | A | 94 | Very high | 96 | Very high | 15 Ų | 15 | 93.5 Ų | 93.5 | 12% | 0.124 | 45% | 0.445 | C | S | . | . | trans | -99.3 | 118.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I98 N104 A105 M117 L159 | I98-A102 VanDerWaalsContact O-CB 3.3Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 2.83Å; A102-N104 VanDerWaalsContact C-N 3.28Å; A102-N104 PolarHBondContact O-N 2.8Å; A102-N104 VanDerWaalsContact O-N 3.16Å; A102-A105 HydrophobicContact CB-CB 3.68Å; A102-A105 WeakPolarHBondContact O-CB 3.18Å; A102-A105 PolarHBondContact O-N 3.34Å; A102-M117 HydrophobicContact CB-CE 3.92Å; A102-L159 HydrophobicContact CB-CD1 4.34Å | ||
| 103 | R | 90.2 | Very high | 95.9 | Very high | 244 Ų | 244 | 87.7 Ų | 87.7 | 92% | 0.921 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -35.7 | -178.3 | -68.3 | -171.9 | -70.9 | 164.5 | -4.5 | 115.3 | ||
| 104 | N | 93.7 | Very high | 95.9 | Very high | 109 Ų | 109 | 87.3 Ų | 87.3 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 39.7 | -176 | -59.5 | -47.7 | 0 | 0 | 0 | 111.3 | A102 M117 R118 | A102-N104 VanDerWaalsContact C-N 3.28Å; A102-N104 PolarHBondContact O-N 2.8Å; A102-N104 VanDerWaalsContact O-N 3.16Å; N104-M117 WeakPolarHBondContact O-CA 3.41Å; N104-R118 WeakPolarHBondContact CB-O 3.17Å; N104-R118 PolarHBondContact O-N 2.98Å |
| 105 | A | 96.5 | Very high | 96 | Very high | 16 Ų | 16 | 82.8 Ų | 82.8 | 13% | 0.132 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | A102 V115 I116 M117 | A102-A105 HydrophobicContact CB-CB 3.68Å; A102-A105 WeakPolarHBondContact O-CB 3.18Å; A102-A105 PolarHBondContact O-N 3.34Å; A105-V115 HydrophobicContact CB-CG1 3.76Å; A105-I116 CarbonylContact C-O 3.37Å; A105-I116 VanDerWaalsContact CA-O 3.32Å; A105-I116 WeakPolarHBondContact CA-O 3.12Å; A105-M117 HydrophobicContact CB-CE 4.24Å; A105-M117 HydrophobicContact CB-CG 4.5Å |
| 106 | E | 96.9 | Very high | 96 | Very high | 115 Ų | 115 | 83.5 Ų | 83.5 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.6 | 176.8 | -64.9 | 166.6 | -140.3 | 0 | 0 | 109.2 | V115 I116 | E106-V115 WeakPolarHBondContact O-CA 3.34Å; E106-I116 HydrophobicContact CB-CB 4.42Å; E106-I116 PolarHBondContact N-O 3Å; E106-I116 PolarHBondContact O-N 3.26Å |
| 107 | Y | 97.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 77 Ų | 77 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | trans | -143.3 | 119.3 | 176.4 | -179.4 | -126.5 | 0 | 0 | 0 | 111.2 | L95 K96 A99 P109 V115 | L95-Y107 HydrophobicContact CB-CD1 4.35Å; L95-Y107 HydrophobicContact CB-CD2 4.25Å; L95-Y107 HydrophobicContact CB-CE1 3.94Å; L95-Y107 HydrophobicContact CB-CE2 3.85Å; L95-Y107 HydrophobicContact CB-CG 4.49Å; L95-Y107 HydrophobicContact CD1-CD2 4.39Å; L95-Y107 HydrophobicContact CD1-CE2 3.66Å; L95-Y107 HydrophobicContact CG-CE2 4.43Å; K96-Y107 HydrophobicContact CB-CE1 4.44Å; A99-Y107 VanDerWaalsContact CB-CB 3.47Å; A99-Y107 HydrophobicContact CB-CD1 4.45Å; A99-Y107 HydrophobicContact CB-CG 4.35Å; Y107-P109 HydrophobicContact CE1-CB 4.41Å; Y107-P109 HydrophobicContact CE1-CG 4.05Å; Y107-P109 HydrophobicContact CE2-CB 4.14Å; Y107-V115 HydrophobicContact CD2-CG2 4.05Å; Y107-V115 HydrophobicContact CG-CG2 4.13Å | ||
| 108 | N | 96.2 | Very high | 96.2 | Very high | 88 Ų | 88 | 79.5 Ų | 79.5 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | trans | -136.4 | 95.1 | 171.7 | -177.7 | -9.4 | 0 | 0 | 0 | 108.8 | K110 R111 F112 | N108-K110 PolarHBondContact O-N 3.32Å; N108-K110 VanDerWaalsContact O-N 3.16Å; N108-K110 WeakPolarHBondContact OD1-CB 3.13Å; N108-K110 PolarHBondContact OD1-N 3.12Å; N108-R111 HydrophobicContact CB-CB 4.18Å; N108-R111 PolarHBondContact O-N 3.45Å; N108-F112 PolarHBondContact O-N 3.06Å | ||
| 109 | P | 94.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 80.9 Ų | 80.9 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.1 | -175.5 | 21.8 | -31.2 | 0 | 0 | 0 | 113.8 | Y107 R111 | Y107-P109 HydrophobicContact CE1-CB 4.41Å; Y107-P109 HydrophobicContact CE1-CG 4.05Å; Y107-P109 HydrophobicContact CE2-CB 4.14Å; P109-R111 VanDerWaalsContact C-N 3.26Å; P109-R111 PolarHBondContact O-N 3.41Å |
| 110 | K | 96.4 | Very high | 96.2 | Very high | 210 Ų | 210 | 91.2 Ų | 91.2 | 91% | 0.913 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.2 | 174.2 | -64.7 | -174.3 | 176.6 | -177.1 | 0 | 112.3 | N108 | N108-K110 PolarHBondContact O-N 3.32Å; N108-K110 VanDerWaalsContact O-N 3.16Å; N108-K110 WeakPolarHBondContact OD1-CB 3.13Å; N108-K110 PolarHBondContact OD1-N 3.12Å |
| 111 | R | 96.6 | Very high | 96.3 | Very high | 193 Ų | 193 | 91.9 Ų | 91.9 | 73% | 0.728 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -45.2 | 179.5 | -176.3 | 179.4 | -178 | -81.3 | -1.9 | 112 | N108 P109 | N108-R111 HydrophobicContact CB-CB 4.18Å; N108-R111 PolarHBondContact O-N 3.45Å; P109-R111 VanDerWaalsContact C-N 3.26Å; P109-R111 PolarHBondContact O-N 3.41Å |
| 112 | F | 96.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 89.4 Ų | 89.4 | 37% | 0.368 | 41% | 0.408 | S | S | . | . | trans | -159.5 | 131.1 | -175.7 | -168.1 | -125.3 | 0 | 0 | 0 | 111.3 | N108 A114 L127 F129 | N108-F112 PolarHBondContact O-N 3.06Å; F112-A114 HydrophobicContact CD1-CB 3.88Å; F112-A114 HydrophobicContact CE1-CB 3.65Å; F112-A114 HydrophobicContact CZ-CB 4.43Å; F112-A114 PolarHBondContact O-N 3.31Å; F112-L127 HydrophobicContact CE1-CD1 4.14Å; F112-L127 HydrophobicContact CE1-CD2 4.31Å; F112-L127 HydrophobicContact CZ-CD1 4.37Å; F112-F129 HydrophobicContact CZ-CE1 4.34Å; F112-F129 HydrophobicContact CZ-CZ 4.22Å | ||
| 113 | A | 96 | Very high | 96.6 | Very high | 65 Ų | 65 | 99.2 Ų | 99.2 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -80.8 | 39.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 114 | A | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 87.8 Ų | 87.8 | 2% | 0.017 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 152.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | F112 L127 I128 F129 | F112-A114 HydrophobicContact CD1-CB 3.88Å; F112-A114 HydrophobicContact CE1-CB 3.65Å; F112-A114 HydrophobicContact CZ-CB 4.43Å; F112-A114 PolarHBondContact O-N 3.31Å; A114-L127 HydrophobicContact CB-CB 4.49Å; A114-I128 CarbonylContact C-O 3.53Å; A114-I128 VanDerWaalsContact CA-O 3.28Å; A114-I128 WeakPolarHBondContact CA-O 3.46Å; A114-I128 WeakPolarHBondContact CB-O 3.11Å; A114-F129 HydrophobicContact CB-CD1 3.88Å; A114-F129 HydrophobicContact CB-CE1 3.85Å; A114-F129 HydrophobicContact CB-CE2 4.49Å; A114-F129 HydrophobicContact CB-CG 4.24Å; A114-F129 HydrophobicContact CB-CZ 4.17Å |
| 115 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.3 | 168.8 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | L95 I98 A105 E106 Y107 L127 I128 | L95-V115 HydrophobicContact CB-CG2 3.7Å; L95-V115 HydrophobicContact CD1-CG2 4.48Å; L95-V115 HydrophobicContact CD2-CG2 3.85Å; L95-V115 HydrophobicContact CG-CG2 4.19Å; L95-V115 WeakPolarHBondContact O-CG2 2.89Å; I98-V115 HydrophobicContact CB-CG2 4.46Å; I98-V115 HydrophobicContact CG2-CG1 4.1Å; I98-V115 HydrophobicContact CG2-CG2 4.4Å; A105-V115 HydrophobicContact CB-CG1 3.76Å; E106-V115 WeakPolarHBondContact O-CA 3.34Å; Y107-V115 HydrophobicContact CD2-CG2 4.05Å; Y107-V115 HydrophobicContact CG-CG2 4.13Å; V115-L127 WeakPolarHBondContact O-CA 3.47Å; V115-I128 HydrophobicContact CB-CB 4.33Å; V115-I128 PolarHBondContact N-O 2.92Å; V115-I128 PolarHBondContact O-N 3.01Å |
| 116 | I | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 82.9 Ų | 82.9 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.3 | 173 | -55 | 176.6 | 0 | 0 | 0 | 107.4 | A105 E106 T125 A126 L127 | A105-I116 CarbonylContact C-O 3.37Å; A105-I116 VanDerWaalsContact CA-O 3.32Å; A105-I116 WeakPolarHBondContact CA-O 3.12Å; E106-I116 HydrophobicContact CB-CB 4.42Å; E106-I116 PolarHBondContact N-O 3Å; E106-I116 PolarHBondContact O-N 3.26Å; I116-T125 HydrophobicContact CG2-CG2 3.67Å; I116-A126 WeakPolarHBondContact CA-O 3.37Å; I116-L127 HydrophobicContact CB-CD2 4.46Å; I116-L127 HydrophobicContact CG1-CD2 3.93Å; I116-L127 HydrophobicContact CG2-CD2 4.31Å |
| 117 | M | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 79 Ų | 79 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.9 | -179.7 | -170.2 | -177.4 | -72.1 | 0 | 0 | 111.3 | I98 A102 N104 A105 T125 A126 I128 Y152 I155 I156 | I98-M117 HydrophobicContact CG2-CE 3.82Å; A102-M117 HydrophobicContact CB-CE 3.92Å; N104-M117 WeakPolarHBondContact O-CA 3.41Å; A105-M117 HydrophobicContact CB-CE 4.24Å; A105-M117 HydrophobicContact CB-CG 4.5Å; M117-T125 CarbonylContact O-C 3.53Å; M117-T125 WeakPolarHBondContact O-CA 3.27Å; M117-A126 PolarHBondContact N-O 3.44Å; M117-A126 PolarHBondContact O-N 3.38Å; M117-I128 HydrophobicContact CB-CD1 4.25Å; M117-I128 HydrophobicContact CE-CD1 4.04Å; M117-I128 HydrophobicContact SD-CD1 4.32Å; M117-Y152 HydrophobicContact CB-CD1 4.38Å; M117-Y152 HydrophobicContact CB-CE1 4.06Å; M117-Y152 HydrophobicContact CG-CD1 4.12Å; M117-Y152 HydrophobicContact CG-CE1 3.88Å; M117-Y152 WeakPolarHBondContact O-CE1 3.19Å; M117-Y152 PolarHBondContact O-OH 3.24Å; M117-Y152 VanDerWaalsContact O-OH 3.08Å; M117-Y152 HydrophobicContact SD-CD1 3.75Å; M117-Y152 HydrophobicContact SD-CE1 4.12Å; M117-I155 HydrophobicContact CE-CG2 4.05Å; M117-I155 HydrophobicContact SD-CB 4.36Å; M117-I155 HydrophobicContact SD-CD1 4.14Å; M117-I155 HydrophobicContact SD-CG2 3.83Å; M117-I156 HydrophobicContact CE-CD1 3.95Å |
| 118 | R | 98.1 | Very high | 97.4 | Very high | 123 Ų | 123 | 75.2 Ų | 75.2 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.5 | -177.1 | -58.7 | -176.3 | -171.6 | -95 | 10.8 | 111.9 | N104 T125 | N104-R118 WeakPolarHBondContact CB-O 3.17Å; N104-R118 PolarHBondContact O-N 2.98Å; R118-T125 HydrophobicContact CG-CG2 4.05Å; R118-T125 PolarHBondContact NH1-OG1 3.43Å |
| 119 | I | 97.6 | Very high | 97.5 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.6 | 170.8 | 65.5 | 178.3 | 0 | 0 | 0 | 109.7 | P122 T124 K151 Y152 I155 | I119-P122 WeakPolarHBondContact CG1-O 3.09Å; I119-T124 VanDerWaalsContact CG1-OG1 3.28Å; I119-T124 WeakPolarHBondContact CG1-OG1 3.23Å; I119-T124 PolarHBondContact N-O 2.85Å; I119-T124 PolarHBondContact O-N 3.25Å; I119-K151 HydrophobicContact CD1-CB 4.04Å; I119-K151 HydrophobicContact CD1-CD 4.17Å; I119-Y152 HydrophobicContact CB-CE1 4.46Å; I119-Y152 HydrophobicContact CD1-CD2 4.39Å; I119-Y152 HydrophobicContact CD1-CE1 4.41Å; I119-Y152 HydrophobicContact CD1-CE2 3.92Å; I119-Y152 HydrophobicContact CG1-CE1 4.22Å; I119-Y152 HydrophobicContact CG1-CE2 4.12Å; I119-Y152 HydrophobicContact CG2-CD1 4.28Å; I119-Y152 HydrophobicContact CG2-CE1 3.69Å; I119-Y152 PolarHBondContact N-OH 2.96Å; I119-I155 HydrophobicContact CG2-CD1 3.91Å |
| 120 | R | 96.7 | Very high | 97.6 | Very high | 240 Ų | 240 | 73.2 Ų | 73.2 | 91% | 0.906 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -30.8 | -176.9 | -66.7 | -176.7 | 179.9 | 178.2 | -0.8 | 113.5 | P122 R123 | R120-P122 CarbonylContact C-O 3.56Å; R120-P122 CarbonylContact O-C 3.59Å; R120-R123 VanDerWaalsContact O-CA 3.23Å; R120-R123 WeakPolarHBondContact O-CA 3.41Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.1Å |
| 121 | E | 96 | Very high | 97.7 | Very high | 150 Ų | 150 | 65.9 Ų | 65.9 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | 112.4 | -173.2 | -172.1 | 177.1 | -165.7 | 0 | 0 | 112.1 | K151 | E121-K151 WeakPolarHBondContact O-CD 3.22Å; E121-K151 PolarHBondContact O-NZ 2.86Å |
| 122 | P | 96.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -58.8 | 153.3 | -17.2 | 29.5 | -37 | 0 | 0 | 0 | 110.8 | I119 R120 T124 Q144 A148 | I119-P122 WeakPolarHBondContact CG1-O 3.09Å; R120-P122 CarbonylContact C-O 3.56Å; R120-P122 CarbonylContact O-C 3.59Å; P122-T124 HydrophobicContact CB-CG2 4.19Å; P122-T124 HydrophobicContact CG-CG2 4.01Å; P122-T124 PolarHBondContact O-N 3.11Å; P122-T124 PolarHBondContact O-OG1 2.82Å; P122-Q144 HydrophobicContact CB-CB 4.27Å; P122-Q144 HydrophobicContact CB-CG 4.41Å; P122-Q144 HydrophobicContact CG-CB 4.44Å; P122-A148 HydrophobicContact CG-CB 3.67Å |
| 123 | R | 98 | Very high | 97.9 | Very high | 221 Ų | 221 | 57.9 Ų | 57.9 | 83% | 0.834 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 95.7 | -178.7 | -177.3 | 178.5 | 177.1 | 169.7 | -1 | 109.8 | R120 | R120-R123 VanDerWaalsContact O-CA 3.23Å; R120-R123 WeakPolarHBondContact O-CA 3.41Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.1Å |
| 124 | T | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 166.7 | -174.3 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | I119 P122 T137 A139 A148 Y152 | I119-T124 VanDerWaalsContact CG1-OG1 3.28Å; I119-T124 WeakPolarHBondContact CG1-OG1 3.23Å; I119-T124 PolarHBondContact N-O 2.85Å; I119-T124 PolarHBondContact O-N 3.25Å; P122-T124 HydrophobicContact CB-CG2 4.19Å; P122-T124 HydrophobicContact CG-CG2 4.01Å; P122-T124 PolarHBondContact O-N 3.11Å; P122-T124 PolarHBondContact O-OG1 2.82Å; T124-T137 CarbonylContact C-O 3.51Å; T124-T137 VanDerWaalsContact CA-O 3.28Å; T124-T137 WeakPolarHBondContact CA-O 3.33Å; T124-T137 VanDerWaalsContact CB-O 3.3Å; T124-T137 WeakPolarHBondContact CB-O 3.43Å; T124-A139 HydrophobicContact CG2-CB 4.09Å; T124-A148 HydrophobicContact CG2-CB 3.74Å; T124-Y152 PolarHBondContact O-OH 3.32Å; T124-Y152 WeakPolarHBondContact OG1-CE2 3.26Å; T124-Y152 PolarHBondContact OG1-OH 3.48Å |
| 125 | T | 98.5 | Very high | 98 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.3 | 171.5 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | I116 M117 R118 L127 C136 T137 Y152 | I116-T125 HydrophobicContact CG2-CG2 3.67Å; M117-T125 CarbonylContact O-C 3.53Å; M117-T125 WeakPolarHBondContact O-CA 3.27Å; R118-T125 HydrophobicContact CG-CG2 4.05Å; R118-T125 PolarHBondContact NH1-OG1 3.43Å; T125-L127 HydrophobicContact CG2-CD2 4.49Å; T125-C136 WeakPolarHBondContact O-CA 3.31Å; T125-T137 PolarHBondContact N-O 2.86Å; T125-T137 PolarHBondContact O-N 2.87Å; T125-Y152 VanDerWaalsContact CA-OH 3.22Å; T125-Y152 WeakPolarHBondContact CA-OH 3.38Å; T125-Y152 PolarHBondContact N-OH 3.07Å |
| 126 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I116 M117 I128 M134 V135 Y152 | I116-A126 WeakPolarHBondContact CA-O 3.37Å; M117-A126 PolarHBondContact N-O 3.44Å; M117-A126 PolarHBondContact O-N 3.38Å; A126-I128 HydrophobicContact CB-CG1 4.26Å; A126-M134 HydrophobicContact CB-CG 4.1Å; A126-M134 HydrophobicContact CB-SD 3.86Å; A126-V135 CarbonylContact C-O 3.54Å; A126-V135 WeakPolarHBondContact CA-O 3.39Å; A126-Y152 HydrophobicContact CB-CD1 3.6Å; A126-Y152 HydrophobicContact CB-CD2 3.64Å; A126-Y152 HydrophobicContact CB-CE1 3.54Å; A126-Y152 HydrophobicContact CB-CE2 3.61Å; A126-Y152 HydrophobicContact CB-CG 3.63Å; A126-Y152 PolarHBondContact N-OH 2.85Å |
| 127 | L | 98.5 | Very high | 98 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116 | 167.5 | -48.5 | 177.6 | 0 | 0 | 0 | 107 | F112 A114 V115 I116 T125 F129 M134 V135 | F112-L127 HydrophobicContact CE1-CD1 4.14Å; F112-L127 HydrophobicContact CE1-CD2 4.31Å; F112-L127 HydrophobicContact CZ-CD1 4.37Å; A114-L127 HydrophobicContact CB-CB 4.49Å; V115-L127 WeakPolarHBondContact O-CA 3.47Å; I116-L127 HydrophobicContact CB-CD2 4.46Å; I116-L127 HydrophobicContact CG1-CD2 3.93Å; I116-L127 HydrophobicContact CG2-CD2 4.31Å; T125-L127 HydrophobicContact CG2-CD2 4.49Å; L127-F129 HydrophobicContact CB-CE2 4.15Å; L127-M134 CarbonylContact O-C 3.56Å; L127-M134 VanDerWaalsContact O-CA 3.28Å; L127-M134 WeakPolarHBondContact O-CA 3.48Å; L127-V135 HydrophobicContact CB-CB 4.22Å; L127-V135 HydrophobicContact CD1-CB 4.47Å; L127-V135 PolarHBondContact N-O 2.83Å; L127-V135 PolarHBondContact O-N 2.81Å |
| 128 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.3 | -172.7 | -54.4 | 175.8 | 0 | 0 | 0 | 108.7 | L89 L93 L95 A114 V115 M117 A126 M134 I156 | L89-I128 HydrophobicContact CD1-CG2 4.36Å; L93-I128 HydrophobicContact CD1-CG2 3.45Å; L93-I128 VanDerWaalsContact CD1-CG2 3.45Å; L95-I128 WeakPolarHBondContact CD2-O 3.38Å; A114-I128 CarbonylContact C-O 3.53Å; A114-I128 VanDerWaalsContact CA-O 3.28Å; A114-I128 WeakPolarHBondContact CA-O 3.46Å; A114-I128 WeakPolarHBondContact CB-O 3.11Å; V115-I128 HydrophobicContact CB-CB 4.33Å; V115-I128 PolarHBondContact N-O 2.92Å; V115-I128 PolarHBondContact O-N 3.01Å; M117-I128 HydrophobicContact CB-CD1 4.25Å; M117-I128 HydrophobicContact CE-CD1 4.04Å; M117-I128 HydrophobicContact SD-CD1 4.32Å; A126-I128 HydrophobicContact CB-CG1 4.26Å; I128-M134 HydrophobicContact CD1-SD 4.22Å; I128-M134 HydrophobicContact CG1-CG 4.02Å; I128-M134 HydrophobicContact CG1-SD 3.92Å; I128-I156 HydrophobicContact CD1-CD1 3.8Å; I128-I156 HydrophobicContact CD1-CG1 4.07Å |
| 129 | F | 98.5 | Very high | 98 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 152.7 | -177.3 | -63.5 | -91.8 | 0 | 0 | 0 | 111 | F112 A114 L127 S131 G132 K133 V135 | F112-F129 HydrophobicContact CZ-CE1 4.34Å; F112-F129 HydrophobicContact CZ-CZ 4.22Å; A114-F129 HydrophobicContact CB-CD1 3.88Å; A114-F129 HydrophobicContact CB-CE1 3.85Å; A114-F129 HydrophobicContact CB-CE2 4.49Å; A114-F129 HydrophobicContact CB-CG 4.24Å; A114-F129 HydrophobicContact CB-CZ 4.17Å; L127-F129 HydrophobicContact CB-CE2 4.15Å; F129-S131 PolarHBondContact O-N 2.93Å; F129-S131 VanDerWaalsContact O-N 3.12Å; F129-G132 PolarHBondContact O-N 2.93Å; F129-K133 HydrophobicContact CB-CB 4.44Å; F129-K133 WeakPolarHBondContact CB-O 3.38Å; F129-K133 HydrophobicContact CD2-CB 4.36Å; F129-K133 WeakPolarHBondContact CD2-O 3.37Å; F129-K133 PolarHBondContact N-O 2.92Å; F129-V135 HydrophobicContact CE2-CG2 3.93Å |
| 130 | S | 98 | Very high | 98 | Very high | 68 Ų | 68 | 57 Ų | 57 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25 | 178.7 | 55 | 0 | 0 | 0 | 0 | 113.1 | K92 L93 G132 | K92-S130 WeakPolarHBondContact CA-O 3.39Å; L93-S130 PolarHBondContact N-O 2.89Å; S130-G132 PolarHBondContact O-N 2.91Å |
| 131 | S | 97.7 | Very high | 98 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.5 | 174.6 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | Y88 F129 K133 | Y88-S131 WeakPolarHBondContact CE2-O 3.2Å; F129-S131 PolarHBondContact O-N 2.93Å; F129-S131 VanDerWaalsContact O-N 3.12Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact OG-N 2.78Å |
| 132 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 86.6 | -3.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L89 C91 F129 S130 | L89-G132 WeakPolarHBondContact CB-O 3.31Å; L89-G132 WeakPolarHBondContact CG-O 3.3Å; L89-G132 PolarHBondContact N-O 2.99Å; C91-G132 WeakPolarHBondContact O-CA 3.46Å; F129-G132 PolarHBondContact O-N 2.93Å; S130-G132 PolarHBondContact O-N 2.91Å |
| 133 | K | 98.4 | Very high | 98.2 | Very high | 110 Ų | 110 | 46.7 Ų | 46.7 | 48% | 0.478 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.1 | 168 | -68.6 | -175.8 | 178.8 | 176.7 | 0 | 109.6 | Y88 F129 S131 | Y88-K133 HydrophobicContact CD2-CG 4.36Å; F129-K133 HydrophobicContact CB-CB 4.44Å; F129-K133 WeakPolarHBondContact CB-O 3.38Å; F129-K133 HydrophobicContact CD2-CB 4.36Å; F129-K133 WeakPolarHBondContact CD2-O 3.37Å; F129-K133 PolarHBondContact N-O 2.92Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact OG-N 2.78Å |
| 134 | M | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.5 | 173.8 | 177 | 171.1 | 66.8 | 0 | 0 | 110.1 | T86 V87 L89 A126 L127 I128 A149 Y152 | T86-M134 CarbonylContact C-O 3.54Å; T86-M134 VanDerWaalsContact CA-O 3.24Å; T86-M134 WeakPolarHBondContact CA-O 3.48Å; V87-M134 HydrophobicContact CG1-CB 3.84Å; V87-M134 HydrophobicContact CG1-CE 3.15Å; V87-M134 HydrophobicContact CG1-CG 4.24Å; V87-M134 PolarHBondContact N-O 3.38Å; V87-M134 PolarHBondContact O-N 2.87Å; L89-M134 HydrophobicContact CD1-CB 4.32Å; L89-M134 HydrophobicContact CD2-CE 4.08Å; L89-M134 HydrophobicContact CG-CB 4.41Å; A126-M134 HydrophobicContact CB-CG 4.1Å; A126-M134 HydrophobicContact CB-SD 3.86Å; L127-M134 CarbonylContact O-C 3.56Å; L127-M134 VanDerWaalsContact O-CA 3.28Å; L127-M134 WeakPolarHBondContact O-CA 3.48Å; I128-M134 HydrophobicContact CD1-SD 4.22Å; I128-M134 HydrophobicContact CG1-CG 4.02Å; I128-M134 HydrophobicContact CG1-SD 3.92Å; M134-A149 HydrophobicContact CE-CB 4.45Å; M134-A149 WeakPolarHBondContact CE-O 3.36Å; M134-Y152 WeakPolarHBondContact SD-CB 3.44Å; M134-Y152 HydrophobicContact SD-CG 4.12Å |
| 135 | V | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.1 | 170.4 | 179 | 0 | 0 | 0 | 0 | 107.8 | V84 C85 T86 A126 L127 F129 | V84-V135 HydrophobicContact CG1-CG1 3.82Å; C85-V135 CarbonylContact O-C 3.37Å; C85-V135 WeakPolarHBondContact O-CA 3.16Å; T86-V135 HydrophobicContact CG2-CG2 3.97Å; A126-V135 CarbonylContact C-O 3.54Å; A126-V135 WeakPolarHBondContact CA-O 3.39Å; L127-V135 HydrophobicContact CB-CB 4.22Å; L127-V135 HydrophobicContact CD1-CB 4.47Å; L127-V135 PolarHBondContact N-O 2.83Å; L127-V135 PolarHBondContact O-N 2.81Å; F129-V135 HydrophobicContact CE2-CG2 3.93Å |
| 136 | C | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.9 | 175 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | V84 C85 T125 A149 | V84-C136 WeakPolarHBondContact CA-O 3.47Å; C85-C136 PolarHBondContact N-O 3.48Å; C85-C136 PolarHBondContact O-N 2.98Å; T125-C136 WeakPolarHBondContact O-CA 3.31Å; C136-A149 HydrophobicContact CB-CB 4.48Å |
| 137 | T | 98.4 | Very high | 98.2 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.9 | -177.5 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | N82 T124 T125 | N82-T137 PolarHBondContact ND2-OG1 2.97Å; T124-T137 CarbonylContact C-O 3.51Å; T124-T137 VanDerWaalsContact CA-O 3.28Å; T124-T137 WeakPolarHBondContact CA-O 3.33Å; T124-T137 VanDerWaalsContact CB-O 3.3Å; T124-T137 WeakPolarHBondContact CB-O 3.43Å; T125-T137 PolarHBondContact N-O 2.86Å; T125-T137 PolarHBondContact O-N 2.87Å |
| 138 | G | 97.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.6 | -3.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N82 | N82-G138 WeakPolarHBondContact OD1-CA 3.43Å; N82-G138 PolarHBondContact OD1-N 3.45Å |
| 139 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 144.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | N82 I83 T124 Q144 A145 | N82-A139 CarbonylContact C-O 3.59Å; N82-A139 VanDerWaalsContact CA-O 3.32Å; N82-A139 WeakPolarHBondContact CA-O 3.23Å; I83-A139 PolarHBondContact N-O 2.83Å; T124-A139 HydrophobicContact CG2-CB 4.09Å; A139-Q144 HydrophobicContact CB-CB 4.04Å; A139-A145 VanDerWaalsContact CB-CA 3.49Å; A139-A145 HydrophobicContact CB-CB 3.69Å |
| 140 | K | 96.9 | Very high | 98.2 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -98.8 | -4.7 | 179.5 | -63.5 | -170.3 | 175.5 | -170.2 | 0 | 114.1 | L80 Q144 | L80-K140 WeakPolarHBondContact CB-O 3.47Å; K140-Q144 VanDerWaalsContact N-OE1 3.17Å |
| 141 | S | 97.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -149.3 | 161.5 | 176.2 | 91.1 | 0 | 0 | 0 | 0 | 110.3 | E143 Q144 A145 | S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 WeakPolarHBondContact CB-OE2 3.47Å; S141-E143 PolarHBondContact O-N 3.3Å; S141-E143 PolarHBondContact OG-N 2.81Å; S141-E143 PolarHBondContact OG-OE2 3.31Å; S141-Q144 WeakPolarHBondContact O-CB 3.42Å; S141-Q144 PolarHBondContact O-N 2.85Å; S141-Q144 WeakPolarHBondContact OG-CG 3.3Å; S141-Q144 PolarHBondContact OG-N 2.99Å; S141-Q144 VanDerWaalsContact OG-N 3.13Å; S141-A145 WeakPolarHBondContact O-CB 3.19Å; S141-A145 PolarHBondContact O-N 2.81Å |
| 142 | E | 97.7 | Very high | 98.2 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | -177.5 | -66.4 | 87 | 131.9 | 0 | 0 | 110.1 | L80 I83 A145 R146 M173 R233 | L80-E142 WeakPolarHBondContact CD1-OE2 3.48Å; I83-E142 HydrophobicContact CD1-CB 4.45Å; I83-E142 HydrophobicContact CD1-CG 3.88Å; I83-E142 VanDerWaalsContact CD1-N 3.35Å; E142-A145 PolarHBondContact O-N 2.88Å; E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 PolarHBondContact O-N 3.32Å; E142-M173 HydrophobicContact CG-CE 3.4Å; E142-R233 VanDerWaalsContact CD-NH2 3.26Å; E142-R233 WeakPolarHBondContact OE1-CB 3.36Å; E142-R233 IonicContact OE1-CZ 2.95Å; E142-R233 VanDerWaalsContact OE1-CZ 3.31Å; E142-R233 IonicContact OE1-NE 3.02Å; E142-R233 PolarHBondContact OE1-NE 3.37Å; E142-R233 IonicContact OE1-NH2 3.78Å; E142-R233 PolarHBondContact OE1-NH2 3Å; E142-R233 IonicContact OE2-CZ 3.72Å; E142-R233 IonicContact OE2-NE 3.51Å; E142-R233 IonicContact OE2-NH2 3.79Å; E142-R233 PolarHBondContact OE2-NH2 3.48Å |
| 143 | E | 98 | Very high | 98.2 | Very high | 123 Ų | 123 | 50.3 Ų | 50.3 | 58% | 0.575 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.9 | -44.9 | 175 | -52.5 | 76.9 | -163.1 | 0 | 0 | 110.3 | S141 A145 R146 L147 | S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 WeakPolarHBondContact CB-OE2 3.47Å; S141-E143 PolarHBondContact O-N 3.3Å; S141-E143 PolarHBondContact OG-N 2.81Å; S141-E143 PolarHBondContact OG-OE2 3.31Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.45Å; E143-R146 PolarHBondContact O-N 2.84Å; E143-L147 VanDerWaalsContact O-CB 3.25Å; E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.81Å |
| 144 | Q | 98.1 | Very high | 98.2 | Very high | 78 Ų | 78 | 51.4 Ų | 51.4 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.1 | -72.6 | -172.7 | -0.2 | 0 | 0 | 111.5 | P122 A139 K140 S141 L147 A148 | P122-Q144 HydrophobicContact CB-CB 4.27Å; P122-Q144 HydrophobicContact CB-CG 4.41Å; P122-Q144 HydrophobicContact CG-CB 4.44Å; A139-Q144 HydrophobicContact CB-CB 4.04Å; K140-Q144 VanDerWaalsContact N-OE1 3.17Å; S141-Q144 WeakPolarHBondContact O-CB 3.42Å; S141-Q144 PolarHBondContact O-N 2.85Å; S141-Q144 WeakPolarHBondContact OG-CG 3.3Å; S141-Q144 PolarHBondContact OG-N 2.99Å; S141-Q144 VanDerWaalsContact OG-N 3.13Å; Q144-L147 PolarHBondContact O-N 3.29Å; Q144-A148 VanDerWaalsContact O-CB 3.24Å; Q144-A148 WeakPolarHBondContact O-CB 3.45Å; Q144-A148 PolarHBondContact O-N 3.15Å |
| 145 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I83 A139 S141 E142 E143 A149 I170 | I83-A145 HydrophobicContact CB-CB 4.31Å; I83-A145 HydrophobicContact CG2-CB 3.96Å; A139-A145 VanDerWaalsContact CB-CA 3.49Å; A139-A145 HydrophobicContact CB-CB 3.69Å; S141-A145 WeakPolarHBondContact O-CB 3.19Å; S141-A145 PolarHBondContact O-N 2.81Å; E142-A145 PolarHBondContact O-N 2.88Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.45Å; A145-A149 WeakPolarHBondContact O-CB 3.32Å; A145-A149 PolarHBondContact O-N 3.34Å; A145-I170 HydrophobicContact CB-CD1 4.45Å |
| 146 | R | 98.4 | Very high | 98.1 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 176.5 | -168 | 174.8 | -172.8 | 138.3 | 0.1 | 111.8 | E142 E143 A149 R150 F165 F168 | E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 PolarHBondContact O-N 3.32Å; E143-R146 PolarHBondContact O-N 2.84Å; R146-A149 PolarHBondContact O-N 3.49Å; R146-R150 WeakPolarHBondContact O-CG 3.38Å; R146-R150 PolarHBondContact O-N 2.94Å; R146-F165 HydrophobicContact CG-CE1 4.49Å; R146-F165 HydrophobicContact CG-CZ 4.15Å; R146-F168 HydrophobicContact CB-CE1 4.13Å; R146-F168 HydrophobicContact CB-CE2 4.08Å; R146-F168 HydrophobicContact CB-CZ 3.7Å; R146-F168 HydrophobicContact CG-CD1 4.46Å; R146-F168 HydrophobicContact CG-CE1 4.23Å; R146-F168 HydrophobicContact CG-CE2 4.29Å; R146-F168 HydrophobicContact CG-CZ 4.13Å |
| 147 | L | 98.5 | Very high | 98 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 177 | 178.2 | 62.2 | 0 | 0 | 0 | 111.4 | E143 Q144 R150 K151 | E143-L147 VanDerWaalsContact O-CB 3.25Å; E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.81Å; Q144-L147 PolarHBondContact O-N 3.29Å; L147-R150 PolarHBondContact O-N 3.23Å; L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.36Å |
| 148 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P122 T124 Q144 R150 K151 Y152 | P122-A148 HydrophobicContact CG-CB 3.67Å; T124-A148 HydrophobicContact CG2-CB 3.74Å; Q144-A148 VanDerWaalsContact O-CB 3.24Å; Q144-A148 WeakPolarHBondContact O-CB 3.45Å; Q144-A148 PolarHBondContact O-N 3.15Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.92Å; A148-K151 WeakPolarHBondContact O-CB 3.2Å; A148-K151 PolarHBondContact O-N 2.82Å; A148-Y152 HydrophobicContact CB-CE2 4.37Å; A148-Y152 WeakPolarHBondContact O-CD2 3.28Å; A148-Y152 PolarHBondContact O-N 2.76Å |
| 149 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -38.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V87 M134 C136 A145 R146 Y152 A153 F165 F168 | V87-A149 HydrophobicContact CG1-CB 4.31Å; M134-A149 HydrophobicContact CE-CB 4.45Å; M134-A149 WeakPolarHBondContact CE-O 3.36Å; C136-A149 HydrophobicContact CB-CB 4.48Å; A145-A149 WeakPolarHBondContact O-CB 3.32Å; A145-A149 PolarHBondContact O-N 3.34Å; R146-A149 PolarHBondContact O-N 3.49Å; A149-Y152 PolarHBondContact O-N 3.44Å; A149-A153 PolarHBondContact O-N 3.31Å; A149-F165 HydrophobicContact CB-CE2 3.73Å; A149-F165 HydrophobicContact CB-CZ 4.26Å; A149-F168 HydrophobicContact CB-CD2 4.26Å; A149-F168 HydrophobicContact CB-CE2 4.11Å |
| 150 | R | 98.5 | Very high | 97.7 | Very high | 153 Ų | 153 | 67.4 Ų | 67.4 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | 173.3 | -72.8 | 179 | 70.5 | -167.5 | 2.5 | 112.5 | R146 L147 A148 Y152 A153 R154 F165 | R146-R150 WeakPolarHBondContact O-CG 3.38Å; R146-R150 PolarHBondContact O-N 2.94Å; L147-R150 PolarHBondContact O-N 3.23Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.92Å; R150-Y152 VanDerWaalsContact C-N 3.34Å; R150-Y152 PolarHBondContact O-N 3.05Å; R150-A153 PolarHBondContact O-N 2.89Å; R150-R154 WeakPolarHBondContact O-CB 3.34Å; R150-R154 PolarHBondContact O-N 3.22Å; R150-F165 HydrophobicContact CB-CD2 4.45Å; R150-F165 HydrophobicContact CB-CE2 4.3Å; R150-F165 HydrophobicContact CG-CD1 4.36Å; R150-F165 HydrophobicContact CG-CD2 3.7Å; R150-F165 HydrophobicContact CG-CE1 4.16Å; R150-F165 HydrophobicContact CG-CE2 3.48Å; R150-F165 VanDerWaalsContact CG-CE2 3.48Å; R150-F165 HydrophobicContact CG-CG 4.14Å; R150-F165 HydrophobicContact CG-CZ 3.72Å |
| 151 | K | 98.2 | Very high | 97.7 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 175.5 | -74 | -173 | -179.7 | -172.1 | 0 | 111 | I119 E121 L147 A148 R154 I155 | I119-K151 HydrophobicContact CD1-CB 4.04Å; I119-K151 HydrophobicContact CD1-CD 4.17Å; E121-K151 WeakPolarHBondContact O-CD 3.22Å; E121-K151 PolarHBondContact O-NZ 2.86Å; L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.36Å; A148-K151 WeakPolarHBondContact O-CB 3.2Å; A148-K151 PolarHBondContact O-N 2.82Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 2.93Å; K151-I155 WeakPolarHBondContact O-CG1 3.41Å; K151-I155 PolarHBondContact O-N 3.17Å |
| 152 | Y | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.2 | -72 | -66 | 0 | 0 | 0 | 112.8 | M117 I119 T124 T125 A126 M134 A148 A149 R150 R154 I155 I156 | M117-Y152 HydrophobicContact CB-CD1 4.38Å; M117-Y152 HydrophobicContact CB-CE1 4.06Å; M117-Y152 HydrophobicContact CG-CD1 4.12Å; M117-Y152 HydrophobicContact CG-CE1 3.88Å; M117-Y152 WeakPolarHBondContact O-CE1 3.19Å; M117-Y152 PolarHBondContact O-OH 3.24Å; M117-Y152 VanDerWaalsContact O-OH 3.08Å; M117-Y152 HydrophobicContact SD-CD1 3.75Å; M117-Y152 HydrophobicContact SD-CE1 4.12Å; I119-Y152 HydrophobicContact CB-CE1 4.46Å; I119-Y152 HydrophobicContact CD1-CD2 4.39Å; I119-Y152 HydrophobicContact CD1-CE1 4.41Å; I119-Y152 HydrophobicContact CD1-CE2 3.92Å; I119-Y152 HydrophobicContact CG1-CE1 4.22Å; I119-Y152 HydrophobicContact CG1-CE2 4.12Å; I119-Y152 HydrophobicContact CG2-CD1 4.28Å; I119-Y152 HydrophobicContact CG2-CE1 3.69Å; I119-Y152 PolarHBondContact N-OH 2.96Å; T124-Y152 PolarHBondContact O-OH 3.32Å; T124-Y152 WeakPolarHBondContact OG1-CE2 3.26Å; T124-Y152 PolarHBondContact OG1-OH 3.48Å; T125-Y152 VanDerWaalsContact CA-OH 3.22Å; T125-Y152 WeakPolarHBondContact CA-OH 3.38Å; T125-Y152 PolarHBondContact N-OH 3.07Å; A126-Y152 HydrophobicContact CB-CD1 3.6Å; A126-Y152 HydrophobicContact CB-CD2 3.64Å; A126-Y152 HydrophobicContact CB-CE1 3.54Å; A126-Y152 HydrophobicContact CB-CE2 3.61Å; A126-Y152 HydrophobicContact CB-CG 3.63Å; A126-Y152 PolarHBondContact N-OH 2.85Å; M134-Y152 WeakPolarHBondContact SD-CB 3.44Å; M134-Y152 HydrophobicContact SD-CG 4.12Å; A148-Y152 HydrophobicContact CB-CE2 4.37Å; A148-Y152 WeakPolarHBondContact O-CD2 3.28Å; A148-Y152 PolarHBondContact O-N 2.76Å; A149-Y152 PolarHBondContact O-N 3.44Å; R150-Y152 VanDerWaalsContact C-N 3.34Å; R150-Y152 PolarHBondContact O-N 3.05Å; Y152-R154 PolarHBondContact O-N 2.82Å; Y152-I155 HydrophobicContact CD1-CD1 4.45Å; Y152-I155 WeakPolarHBondContact O-CB 3.23Å; Y152-I155 PolarHBondContact O-N 3.39Å; Y152-I155 VanDerWaalsContact O-N 3.08Å; Y152-I156 PolarHBondContact O-N 2.65Å |
| 153 | A | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L89 A149 R150 I156 Q157 F165 | L89-A153 HydrophobicContact CD2-CB 3.71Å; A149-A153 PolarHBondContact O-N 3.31Å; R150-A153 PolarHBondContact O-N 2.89Å; A153-I156 PolarHBondContact O-N 3.34Å; A153-Q157 WeakPolarHBondContact O-CG 3.44Å; A153-Q157 PolarHBondContact O-N 2.97Å; A153-F165 HydrophobicContact CB-CD2 4.28Å |
| 154 | R | 97.7 | Very high | 97.6 | Very high | 134 Ų | 134 | 65.8 Ų | 65.8 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 176.3 | -173.4 | 56.7 | 170 | 175.2 | 1.3 | 113.3 | R150 K151 Y152 Q157 R158 | R150-R154 WeakPolarHBondContact O-CB 3.34Å; R150-R154 PolarHBondContact O-N 3.22Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 2.93Å; Y152-R154 PolarHBondContact O-N 2.82Å; R154-Q157 VanDerWaalsContact CD-OE1 3.26Å; R154-Q157 PolarHBondContact O-N 2.78Å; R154-R158 WeakPolarHBondContact O-CG 3.24Å; R154-R158 PolarHBondContact O-N 2.86Å |
| 155 | I | 96.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 173.4 | -67.9 | 164.2 | 0 | 0 | 0 | 109.4 | M117 I119 K151 Y152 Q157 R158 L159 | M117-I155 HydrophobicContact CE-CG2 4.05Å; M117-I155 HydrophobicContact SD-CB 4.36Å; M117-I155 HydrophobicContact SD-CD1 4.14Å; M117-I155 HydrophobicContact SD-CG2 3.83Å; I119-I155 HydrophobicContact CG2-CD1 3.91Å; K151-I155 WeakPolarHBondContact O-CG1 3.41Å; K151-I155 PolarHBondContact O-N 3.17Å; Y152-I155 HydrophobicContact CD1-CD1 4.45Å; Y152-I155 WeakPolarHBondContact O-CB 3.23Å; Y152-I155 PolarHBondContact O-N 3.39Å; Y152-I155 VanDerWaalsContact O-N 3.08Å; I155-Q157 VanDerWaalsContact C-N 3.34Å; I155-Q157 PolarHBondContact O-N 2.86Å; I155-R158 WeakPolarHBondContact O-CB 3.47Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 4.49Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 2.87Å; I155-L159 VanDerWaalsContact O-N 3.14Å |
| 156 | I | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.8 | -61.7 | -52.9 | 0 | 0 | 0 | 111.8 | L89 L93 I98 M117 I128 Y152 A153 R158 L159 F161 A163 | L89-I156 HydrophobicContact CD1-CG1 4.28Å; L89-I156 HydrophobicContact CD1-CG2 4.43Å; L93-I156 HydrophobicContact CD1-CG2 4.42Å; L93-I156 HydrophobicContact CD2-CG2 3.82Å; I98-I156 HydrophobicContact CD1-CD1 3.94Å; I98-I156 HydrophobicContact CG1-CD1 4.24Å; I98-I156 HydrophobicContact CG2-CD1 3.9Å; M117-I156 HydrophobicContact CE-CD1 3.95Å; I128-I156 HydrophobicContact CD1-CD1 3.8Å; I128-I156 HydrophobicContact CD1-CG1 4.07Å; Y152-I156 PolarHBondContact O-N 2.65Å; A153-I156 PolarHBondContact O-N 3.34Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.84Å; I156-L159 HydrophobicContact CD1-CD1 4.15Å; I156-L159 PolarHBondContact O-N 3.3Å; I156-L159 VanDerWaalsContact O-N 3.16Å; I156-F161 HydrophobicContact CG2-CB 3.78Å; I156-F161 HydrophobicContact CG2-CD2 4Å; I156-F161 HydrophobicContact CG2-CG 4.13Å; I156-F161 PolarHBondContact O-N 3.03Å; I156-A163 HydrophobicContact CB-CB 4.11Å; I156-A163 HydrophobicContact CG2-CB 3.66Å |
| 157 | Q | 97.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 171.6 | -74 | 177.7 | -14.5 | 0 | 0 | 112.6 | A153 R154 I155 L159 G160 F161 A163 | A153-Q157 WeakPolarHBondContact O-CG 3.44Å; A153-Q157 PolarHBondContact O-N 2.97Å; R154-Q157 VanDerWaalsContact CD-OE1 3.26Å; R154-Q157 PolarHBondContact O-N 2.78Å; I155-Q157 VanDerWaalsContact C-N 3.34Å; I155-Q157 PolarHBondContact O-N 2.86Å; Q157-L159 PolarHBondContact O-N 2.84Å; Q157-G160 PolarHBondContact O-N 3.46Å; Q157-F161 WeakPolarHBondContact CA-O 3.49Å; Q157-A163 HydrophobicContact CG-CB 4.01Å; Q157-A163 WeakPolarHBondContact CG-O 3.49Å; Q157-A163 PolarHBondContact NE2-O 3.29Å |
| 158 | R | 96.5 | Very high | 97.6 | Very high | 193 Ų | 193 | 69 Ų | 69 | 73% | 0.728 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.6 | -19 | 179.5 | -75.8 | -179.8 | 173 | 177.8 | -1.8 | 113.8 | R154 I155 I156 G160 | R154-R158 WeakPolarHBondContact O-CG 3.24Å; R154-R158 PolarHBondContact O-N 2.86Å; I155-R158 WeakPolarHBondContact O-CB 3.47Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.09Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.84Å; R158-G160 PolarHBondContact O-N 3.38Å |
| 159 | L | 96.3 | Very high | 97.6 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 3.1 | 172.7 | -64.2 | 177 | 0 | 0 | 0 | 112.9 | I98 A102 I155 I156 Q157 F161 | I98-L159 HydrophobicContact CB-CD1 4.39Å; I98-L159 HydrophobicContact CG1-CD1 4.29Å; I98-L159 HydrophobicContact CG2-CD1 3.99Å; A102-L159 HydrophobicContact CB-CD1 4.34Å; I155-L159 HydrophobicContact CG2-CD1 4.49Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 2.87Å; I155-L159 VanDerWaalsContact O-N 3.14Å; I156-L159 HydrophobicContact CD1-CD1 4.15Å; I156-L159 PolarHBondContact O-N 3.3Å; I156-L159 VanDerWaalsContact O-N 3.16Å; Q157-L159 PolarHBondContact O-N 2.84Å; L159-F161 HydrophobicContact CB-CD2 3.88Å; L159-F161 HydrophobicContact CB-CE2 3.97Å |
| 160 | G | 96.4 | Very high | 97.6 | Very high | 69 Ų | 69 | 75.7 Ų | 75.7 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | 9.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q157 R158 | Q157-G160 PolarHBondContact O-N 3.46Å; R158-G160 PolarHBondContact O-N 3.38Å |
| 161 | F | 97.1 | Very high | 97.5 | Very high | 32 Ų | 32 | 71.2 Ų | 71.2 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | trans | -90.7 | 142.2 | 174.2 | -60.6 | -85.4 | 0 | 0 | 0 | 110.8 | L93 N94 N97 I98 I156 Q157 L159 A163 | L93-F161 HydrophobicContact CD2-CB 3.87Å; L93-F161 HydrophobicContact CD2-CD1 3.58Å; L93-F161 HydrophobicContact CD2-CD2 4.37Å; L93-F161 HydrophobicContact CD2-CE1 4.21Å; L93-F161 HydrophobicContact CD2-CG 3.67Å; N94-F161 HydrophobicContact CB-CE1 4.33Å; N94-F161 HydrophobicContact CB-CZ 4.41Å; N97-F161 HydrophobicContact CB-CZ 4.34Å; I98-F161 HydrophobicContact CD1-CE2 4.06Å; I98-F161 HydrophobicContact CD1-CZ 4.22Å; I98-F161 HydrophobicContact CG1-CD2 4.25Å; I98-F161 HydrophobicContact CG1-CE2 3.43Å; I98-F161 VanDerWaalsContact CG1-CE2 3.43Å; I98-F161 HydrophobicContact CG1-CZ 3.75Å; I156-F161 HydrophobicContact CG2-CB 3.78Å; I156-F161 HydrophobicContact CG2-CD2 4Å; I156-F161 HydrophobicContact CG2-CG 4.13Å; I156-F161 PolarHBondContact O-N 3.03Å; Q157-F161 WeakPolarHBondContact CA-O 3.49Å; L159-F161 HydrophobicContact CB-CD2 3.88Å; L159-F161 HydrophobicContact CB-CE2 3.97Å; F161-A163 PolarHBondContact O-N 2.88Å | ||
| 162 | E | 97 | Very high | 97.5 | Very high | 159 Ų | 159 | 69.2 Ų | 69.2 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | trans | -75.3 | 52.8 | 174.2 | -61.3 | -172.8 | 154.8 | 0 | 0 | 112.4 | H164 | E162-H164 PolarHBondContact O-CE1 2.88Å; E162-H164 VanDerWaalsContact O-CE1 3.31Å; E162-H164 PolarHBondContact O-ND1 2.73Å | ||
| 163 | A | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | trans | -74 | 138.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L89 I156 Q157 F161 | L89-A163 HydrophobicContact CB-CB 4.17Å; L89-A163 HydrophobicContact CD2-CB 4.39Å; L89-A163 CarbonylContact O-C 3.55Å; L89-A163 WeakPolarHBondContact O-CA 3.25Å; I156-A163 HydrophobicContact CB-CB 4.11Å; I156-A163 HydrophobicContact CG2-CB 3.66Å; Q157-A163 HydrophobicContact CG-CB 4.01Å; Q157-A163 WeakPolarHBondContact CG-O 3.49Å; Q157-A163 PolarHBondContact NE2-O 3.29Å; F161-A163 PolarHBondContact O-N 2.88Å | ||
| 164 | H | 97.2 | Very high | 97.5 | Very high | 89 Ų | 89 | 70.5 Ų | 70.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | trans | -121.1 | 165.9 | 178.3 | -66 | 83.3 | 0 | 0 | 0 | 110.1 | L89 E162 K166 | L89-H164 VanDerWaalsContact CA-O 3.28Å; L89-H164 WeakPolarHBondContact CA-O 3.47Å; L89-H164 PolarHBondContact O-N 3.11Å; E162-H164 PolarHBondContact O-CE1 2.88Å; E162-H164 VanDerWaalsContact O-CE1 3.31Å; E162-H164 PolarHBondContact O-ND1 2.73Å; H164-K166 HydrophobicContact CB-CD 4.27Å; H164-K166 HydrophobicContact CB-CG 4.05Å | ||
| 165 | F | 98.2 | Very high | 97.6 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 28% | 0.281 | 31% | 0.31 | S | S | . | . | trans | -106.1 | 85.6 | 176 | -169.2 | -93.5 | 0 | 0 | 0 | 109.4 | V87 R146 A149 R150 A153 F168 | V87-F165 HydrophobicContact CB-CE2 4.35Å; V87-F165 HydrophobicContact CG2-CD2 3.65Å; V87-F165 HydrophobicContact CG2-CE2 3.72Å; V87-F165 HydrophobicContact CG2-CG 4.09Å; V87-F165 HydrophobicContact CG2-CZ 4.24Å; R146-F165 HydrophobicContact CG-CE1 4.49Å; R146-F165 HydrophobicContact CG-CZ 4.15Å; A149-F165 HydrophobicContact CB-CE2 3.73Å; A149-F165 HydrophobicContact CB-CZ 4.26Å; R150-F165 HydrophobicContact CB-CD2 4.45Å; R150-F165 HydrophobicContact CB-CE2 4.3Å; R150-F165 HydrophobicContact CG-CD1 4.36Å; R150-F165 HydrophobicContact CG-CD2 3.7Å; R150-F165 HydrophobicContact CG-CE1 4.16Å; R150-F165 HydrophobicContact CG-CE2 3.48Å; R150-F165 VanDerWaalsContact CG-CE2 3.48Å; R150-F165 HydrophobicContact CG-CG 4.14Å; R150-F165 HydrophobicContact CG-CZ 3.72Å; A153-F165 HydrophobicContact CB-CD2 4.28Å; F165-F168 HydrophobicContact CE1-CB 3.56Å; F165-F168 HydrophobicContact CE1-CD2 4.21Å; F165-F168 HydrophobicContact CE1-CG 4.03Å; F165-F168 HydrophobicContact CE2-CD2 4.28Å; F165-F168 HydrophobicContact CZ-CB 3.71Å; F165-F168 AromaticContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CD2 3.48Å; F165-F168 VanDerWaalsContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CE2 4.32Å; F165-F168 AromaticContact CZ-CG 3.78Å; F165-F168 HydrophobicContact CZ-CG 3.78Å | ||
| 166 | K | 98 | Very high | 97.6 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 152.3 | -176.7 | -58.5 | -179.3 | 178.3 | 179.6 | 0 | 110.8 | V87 Y88 H164 F168 | V87-K166 WeakPolarHBondContact CG2-O 3.23Å; Y88-K166 HydrophobicContact CD1-CB 4.37Å; Y88-K166 PolarHBondContact N-O 3.23Å; Y88-K166 WeakPolarHBondContact O-CB 3.44Å; Y88-K166 PolarHBondContact O-N 2.91Å; H164-K166 HydrophobicContact CB-CD 4.27Å; H164-K166 HydrophobicContact CB-CG 4.05Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.47Å |
| 167 | E | 97.4 | Very high | 97.6 | Very high | 149 Ų | 149 | 63.8 Ų | 63.8 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.4 | 42.3 | 170.9 | -60 | 174.1 | -152.2 | 0 | 0 | 115 | K169 | E167-K169 PolarHBondContact O-N 3.2Å |
| 168 | F | 98.5 | Very high | 97.6 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 124.4 | 173.2 | 176.2 | -94.1 | 0 | 0 | 0 | 110.5 | C85 T86 R146 A149 F165 K166 I170 | C85-F168 HydrophobicContact CB-CE2 3.81Å; C85-F168 HydrophobicContact CB-CZ 4.02Å; T86-F168 WeakPolarHBondContact O-CA 3.39Å; R146-F168 HydrophobicContact CB-CE1 4.13Å; R146-F168 HydrophobicContact CB-CE2 4.08Å; R146-F168 HydrophobicContact CB-CZ 3.7Å; R146-F168 HydrophobicContact CG-CD1 4.46Å; R146-F168 HydrophobicContact CG-CE1 4.23Å; R146-F168 HydrophobicContact CG-CE2 4.29Å; R146-F168 HydrophobicContact CG-CZ 4.13Å; A149-F168 HydrophobicContact CB-CD2 4.26Å; A149-F168 HydrophobicContact CB-CE2 4.11Å; F165-F168 HydrophobicContact CE1-CB 3.56Å; F165-F168 HydrophobicContact CE1-CD2 4.21Å; F165-F168 HydrophobicContact CE1-CG 4.03Å; F165-F168 HydrophobicContact CE2-CD2 4.28Å; F165-F168 HydrophobicContact CZ-CB 3.71Å; F165-F168 AromaticContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CD2 3.48Å; F165-F168 VanDerWaalsContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CE2 4.32Å; F165-F168 AromaticContact CZ-CG 3.78Å; F165-F168 HydrophobicContact CZ-CG 3.78Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.47Å; F168-I170 HydrophobicContact CE1-CD1 3.93Å; F168-I170 HydrophobicContact CZ-CD1 3.71Å |
| 169 | K | 98.3 | Very high | 97.6 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 134.3 | -177.7 | -173 | 170.2 | -176.5 | 171.9 | 0 | 111.6 | C85 T86 E167 | C85-K169 CarbonylContact C-O 3.5Å; C85-K169 VanDerWaalsContact CA-O 3.22Å; C85-K169 WeakPolarHBondContact CA-O 3.06Å; C85-K169 WeakPolarHBondContact CB-O 3.28Å; T86-K169 PolarHBondContact N-O 2.85Å; T86-K169 PolarHBondContact O-N 3.23Å; E167-K169 PolarHBondContact O-N 3.2Å |
| 170 | I | 98.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.6 | 167.6 | -56.3 | -51.6 | 0 | 0 | 0 | 108.8 | I83 C85 A145 F168 M173 | I83-I170 HydrophobicContact CG2-CD1 3.73Å; I83-I170 HydrophobicContact CG2-CG2 3.97Å; C85-I170 HydrophobicContact CB-CD1 3.7Å; A145-I170 HydrophobicContact CB-CD1 4.45Å; F168-I170 HydrophobicContact CE1-CD1 3.93Å; F168-I170 HydrophobicContact CZ-CD1 3.71Å; I170-M173 HydrophobicContact CG1-CE 4.28Å; I170-M173 HydrophobicContact CG2-CE 3.9Å; I170-M173 HydrophobicContact CG2-CG 3.84Å |
| 171 | Q | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 58 Ų | 58 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -37.4 | -179.8 | -64.4 | -62.4 | -17.7 | 0 | 0 | 112.1 | V84 T86 | V84-Q171 HydrophobicContact CG1-CB 4.44Å; V84-Q171 PolarHBondContact O-N 2.73Å; T86-Q171 HydrophobicContact CG2-CG 3.56Å; T86-Q171 PolarHBondContact OG1-NE2 3.38Å |
| 172 | N | 98.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 145.1 | 178.2 | -171.4 | 30.9 | 0 | 0 | 0 | 110.8 | V84 T228 G229 A230 | V84-N172 HydrophobicContact CB-CB 4.24Å; V84-N172 HydrophobicContact CG2-CB 4.47Å; V84-N172 PolarHBondContact N-O 3.13Å; V84-N172 PolarHBondContact O-N 2.83Å; N172-T228 PolarHBondContact ND2-OG1 3.23Å; N172-T228 VanDerWaalsContact ND2-OG1 3.11Å; N172-G229 VanDerWaalsContact OD1-CA 3.23Å; N172-G229 WeakPolarHBondContact OD1-CA 3.49Å; N172-G229 PolarHBondContact OD1-N 3.22Å; N172-A230 CarbonylContact C-O 3.57Å; N172-A230 VanDerWaalsContact CA-O 3.3Å; N172-A230 WeakPolarHBondContact CA-O 3.46Å |
| 173 | M | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.8 | 168.2 | -62 | -173 | 174.7 | 0 | 0 | 108.8 | L80 I83 E142 I170 A230 K231 R233 I236 | L80-M173 HydrophobicContact CD2-CB 4.18Å; L80-M173 HydrophobicContact CD2-SD 4.37Å; I83-M173 HydrophobicContact CD1-CE 4.24Å; I83-M173 HydrophobicContact CD1-CG 4.4Å; I83-M173 HydrophobicContact CG1-CG 4.19Å; I83-M173 HydrophobicContact CG2-CG 4.4Å; E142-M173 HydrophobicContact CG-CE 3.4Å; I170-M173 HydrophobicContact CG1-CE 4.28Å; I170-M173 HydrophobicContact CG2-CE 3.9Å; I170-M173 HydrophobicContact CG2-CG 3.84Å; M173-A230 HydrophobicContact CB-CB 4.26Å; M173-A230 PolarHBondContact N-O 3.4Å; M173-K231 WeakPolarHBondContact CE-O 3.36Å; M173-R233 HydrophobicContact SD-CB 4.29Å; M173-I236 HydrophobicContact CB-CD1 3.81Å |
| 174 | V | 98.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.4 | 176 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | Q81 N82 V226 L227 | Q81-V174 PolarHBondContact N-O 3.5Å; N82-V174 HydrophobicContact CB-CB 4.12Å; N82-V174 HydrophobicContact CB-CG2 4.28Å; N82-V174 PolarHBondContact N-O 2.86Å; N82-V174 PolarHBondContact O-N 2.96Å; V174-V226 HydrophobicContact CG1-CG1 3.88Å; V174-L227 CarbonylContact C-O 3.57Å; V174-L227 VanDerWaalsContact CA-O 3.31Å; V174-L227 WeakPolarHBondContact CA-O 2.91Å |
| 175 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 157.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q79 V226 L227 | Q79-G175 CarbonylContact O-C 3.56Å; Q79-G175 VanDerWaalsContact O-CA 3.31Å; Q79-G175 WeakPolarHBondContact O-CA 3.28Å; G175-V226 CarbonylContact O-C 3.57Å; G175-V226 WeakPolarHBondContact O-CA 3.33Å; G175-L227 PolarHBondContact N-O 3.49Å; G175-L227 PolarHBondContact O-N 3.49Å |
| 176 | S | 98 | Very high | 97.4 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.2 | 167.8 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | P78 Q79 Q81 I225 | P78-S176 WeakPolarHBondContact CA-O 3.33Å; Q79-S176 PolarHBondContact N-O 3.31Å; Q79-S176 PolarHBondContact O-N 2.94Å; Q81-S176 WeakPolarHBondContact CG-OG 3.5Å; Q81-S176 PolarHBondContact NE2-OG 3.32Å; S176-I225 CarbonylContact C-O 3.57Å; S176-I225 WeakPolarHBondContact CA-O 3.35Å |
| 177 | C | 97.5 | Very high | 97.3 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 9% | 0.088 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 157.2 | 176.1 | -161.3 | 0 | 0 | 0 | 0 | 109.7 | P76 P78 I225 F240 | P76-C177 VanDerWaalsContact CB-SG 3.51Å; P78-C177 HydrophobicContact CB-CB 4.18Å; P78-C177 HydrophobicContact CG-CB 4.14Å; C177-I225 PolarHBondContact N-O 2.92Å; C177-I225 PolarHBondContact O-N 2.89Å; C177-F240 HydrophobicContact CB-CD2 4.01Å; C177-F240 HydrophobicContact CB-CE2 3.51Å; C177-F240 HydrophobicContact CB-CZ 4.11Å; C177-F240 VanDerWaalsContact SG-CE2 3.54Å; C177-F240 WeakPolarHBondContact SG-CZ 3.44Å |
| 178 | D | 97.3 | Very high | 97.2 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.1 | 170 | -171.5 | -13.4 | 0 | 0 | 0 | 108 | R180 | D178-R180 PolarHBondContact O-N 2.84Å; D178-R180 WeakPolarHBondContact OD1-CA 3.36Å; D178-R180 PolarHBondContact OD1-N 3.35Å |
| 179 | V | 96.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | trans | -77.9 | -8.7 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 113 | F181 I183 G223 I225 F240 Y244 L247 | V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CB-CD1 4.11Å; V179-F181 HydrophobicContact CB-CE1 3.65Å; V179-F181 HydrophobicContact CB-CZ 3.87Å; V179-F181 HydrophobicContact CG2-CD1 3.94Å; V179-F181 HydrophobicContact CG2-CD2 3.99Å; V179-F181 HydrophobicContact CG2-CE1 3.72Å; V179-F181 HydrophobicContact CG2-CE2 3.77Å; V179-F181 HydrophobicContact CG2-CG 4.08Å; V179-F181 HydrophobicContact CG2-CZ 3.62Å; V179-F181 WeakPolarHBondContact O-CD1 3.43Å; V179-F181 WeakPolarHBondContact O-CE1 3.44Å; V179-F181 PolarHBondContact O-N 2.66Å; V179-I183 HydrophobicContact CG2-CD1 3.96Å; V179-I183 HydrophobicContact CG2-CG1 4.36Å; V179-G223 WeakPolarHBondContact CG2-O 3.48Å; V179-G223 PolarHBondContact N-O 3.05Å; V179-I225 HydrophobicContact CG1-CD1 3.5Å; V179-I225 VanDerWaalsContact CG1-CD1 3.5Å; V179-I225 HydrophobicContact CG1-CG1 4.46Å; V179-F240 HydrophobicContact CG1-CE2 4.12Å; V179-F240 HydrophobicContact CG1-CZ 4Å; V179-Y244 HydrophobicContact CB-CE2 4.18Å; V179-Y244 HydrophobicContact CG1-CD2 3.93Å; V179-Y244 HydrophobicContact CG1-CE2 4.01Å; V179-L247 HydrophobicContact CG1-CD1 4.4Å | ||
| 180 | R | 94.7 | Very high | 97.1 | Very high | 167 Ų | 167 | 45.8 Ų | 45.8 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 63.5 | 26.7 | 175.6 | -47.3 | 178.7 | -168.9 | 161.1 | 0.4 | 114.5 | Q69 D178 | Q69-R180 PolarHBondContact O-NH1 3.22Å; D178-R180 PolarHBondContact O-N 2.84Å; D178-R180 WeakPolarHBondContact OD1-CA 3.36Å; D178-R180 PolarHBondContact OD1-N 3.35Å |
| 181 | F | 95.1 | Very high | 96.9 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -149.3 | 151.1 | 169.4 | 57.5 | -98.6 | 0 | 0 | 0 | 110.9 | V179 I183 G223 Y244 L247 K251 | V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CB-CD1 4.11Å; V179-F181 HydrophobicContact CB-CE1 3.65Å; V179-F181 HydrophobicContact CB-CZ 3.87Å; V179-F181 HydrophobicContact CG2-CD1 3.94Å; V179-F181 HydrophobicContact CG2-CD2 3.99Å; V179-F181 HydrophobicContact CG2-CE1 3.72Å; V179-F181 HydrophobicContact CG2-CE2 3.77Å; V179-F181 HydrophobicContact CG2-CG 4.08Å; V179-F181 HydrophobicContact CG2-CZ 3.62Å; V179-F181 WeakPolarHBondContact O-CD1 3.43Å; V179-F181 WeakPolarHBondContact O-CE1 3.44Å; V179-F181 PolarHBondContact O-N 2.66Å; F181-I183 HydrophobicContact CD2-CG1 4.13Å; F181-I183 HydrophobicContact CE2-CG1 3.97Å; F181-G223 VanDerWaalsContact O-CA 3.28Å; F181-G223 WeakPolarHBondContact O-CA 3.3Å; F181-Y244 HydrophobicContact CE1-CE2 4.26Å; F181-L247 HydrophobicContact CZ-CB 4.45Å; F181-K251 HydrophobicContact CB-CD 3.93Å; F181-K251 HydrophobicContact CB-CG 4.01Å; F181-K251 HydrophobicContact CD1-CD 4.46Å; F181-K251 HydrophobicContact CD2-CB 3.8Å; F181-K251 HydrophobicContact CD2-CD 4.16Å; F181-K251 HydrophobicContact CD2-CG 3.76Å; F181-K251 HydrophobicContact CE2-CB 4.07Å; F181-K251 HydrophobicContact CE2-CG 4.49Å; F181-K251 HydrophobicContact CG-CB 4.45Å; F181-K251 HydrophobicContact CG-CD 3.94Å; F181-K251 HydrophobicContact CG-CG 4Å |
| 182 | H | 96.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | trans | -72.7 | 140.7 | 177.7 | -64.1 | 93.8 | 0 | 0 | 0 | 111.5 | V221 K251 K252 | H182-V221 CarbonylContact C-O 3.56Å; H182-V221 WeakPolarHBondContact CA-O 3.45Å; H182-K251 WeakPolarHBondContact O-CA 3.2Å; H182-K252 HydrophobicContact CB-CB 4.13Å; H182-K252 HydrophobicContact CB-CD 4.08Å; H182-K252 HydrophobicContact CB-CG 4.28Å; H182-K252 PolarHBondContact O-N 2.94Å | ||
| 183 | I | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -113.2 | 133.2 | -175.8 | -52.7 | 170.2 | 0 | 0 | 0 | 109.5 | V179 F181 L185 L188 V219 V221 L247 F250 K252 | V179-I183 HydrophobicContact CG2-CD1 3.96Å; V179-I183 HydrophobicContact CG2-CG1 4.36Å; F181-I183 HydrophobicContact CD2-CG1 4.13Å; F181-I183 HydrophobicContact CE2-CG1 3.97Å; I183-L185 HydrophobicContact CB-CD2 4.2Å; I183-L185 HydrophobicContact CG2-CD2 3.9Å; I183-L185 PolarHBondContact O-N 3.24Å; I183-L188 HydrophobicContact CG2-CD2 4.5Å; I183-V219 HydrophobicContact CD1-CG1 3.53Å; I183-V221 PolarHBondContact N-O 3.03Å; I183-L247 HydrophobicContact CD1-CB 4.34Å; I183-L247 HydrophobicContact CD1-CD1 4.17Å; I183-L247 HydrophobicContact CD1-CD2 4.28Å; I183-L247 HydrophobicContact CD1-CG 4.49Å; I183-F250 HydrophobicContact CG2-CB 4.08Å; I183-K252 WeakPolarHBondContact O-CE 3.41Å |
| 184 | R | 97.2 | Very high | 96.5 | Very high | 109 Ų | 109 | 55.6 Ų | 55.6 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | trans | -81.5 | 89.3 | 171.4 | -172.6 | -176.3 | -68.5 | 176.3 | -1.8 | 109.8 | E186 G187 L188 F250 K252 | R184-E186 VanDerWaalsContact C-N 3.29Å; R184-E186 PolarHBondContact O-N 2.78Å; R184-G187 PolarHBondContact O-N 3.21Å; R184-L188 PolarHBondContact O-N 3.16Å; R184-F250 PolarHBondContact N-O 3.2Å; R184-K252 HydrophobicContact CB-CG 4.05Å | ||
| 185 | L | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -31.1 | -175.6 | -61.3 | -174.7 | 0 | 0 | 0 | 113 | I183 G187 L188 V189 Y198 L206 V219 V221 | I183-L185 HydrophobicContact CB-CD2 4.2Å; I183-L185 HydrophobicContact CG2-CD2 3.9Å; I183-L185 PolarHBondContact O-N 3.24Å; L185-G187 PolarHBondContact O-N 3.03Å; L185-L188 HydrophobicContact CD2-CD2 4.4Å; L185-L188 PolarHBondContact O-N 3.08Å; L185-V189 PolarHBondContact O-N 3.24Å; L185-Y198 HydrophobicContact CB-CD1 3.98Å; L185-Y198 HydrophobicContact CB-CD2 4.4Å; L185-Y198 HydrophobicContact CB-CE1 3.78Å; L185-Y198 HydrophobicContact CB-CE2 4.22Å; L185-Y198 HydrophobicContact CB-CG 4.28Å; L185-Y198 HydrophobicContact CD1-CD2 4.07Å; L185-Y198 HydrophobicContact CD1-CE2 3.58Å; L185-L206 HydrophobicContact CB-CD1 4.36Å; L185-L206 HydrophobicContact CD1-CB 4.08Å; L185-L206 HydrophobicContact CD2-CB 4.02Å; L185-L206 HydrophobicContact CD2-CD1 4.39Å; L185-L206 HydrophobicContact CG-CB 4.43Å; L185-V219 HydrophobicContact CD2-CB 4.34Å; L185-V219 HydrophobicContact CD2-CG1 3.87Å; L185-V221 HydrophobicContact CD1-CG2 3.59Å; L185-V221 HydrophobicContact CG-CG2 3.9Å |
| 186 | E | 96 | Very high | 96.3 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.4 | -57.4 | 76.6 | -168.4 | 0 | 0 | 110.9 | R184 L188 V189 L190 Y198 | R184-E186 VanDerWaalsContact C-N 3.29Å; R184-E186 PolarHBondContact O-N 2.78Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-V189 VanDerWaalsContact O-CG1 3.3Å; E186-V189 WeakPolarHBondContact O-CG1 3.37Å; E186-L190 WeakPolarHBondContact O-CD1 3.32Å; E186-L190 WeakPolarHBondContact O-CG 3.46Å; E186-L190 PolarHBondContact O-N 2.9Å; E186-Y198 HydrophobicContact CG-CE1 4.24Å |
| 187 | G | 95.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R184 L185 L190 S191 F250 | R184-G187 PolarHBondContact O-N 3.21Å; L185-G187 PolarHBondContact O-N 3.03Å; G187-L190 PolarHBondContact O-N 2.8Å; G187-S191 PolarHBondContact O-N 2.92Å; G187-F250 VanDerWaalsContact O-CE1 3.23Å; G187-F250 WeakPolarHBondContact O-CE1 3.41Å |
| 188 | L | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | -179.8 | 179.5 | 58.6 | 0 | 0 | 0 | 111.9 | I183 R184 L185 E186 S191 Q192 L206 I246 L247 F250 | I183-L188 HydrophobicContact CG2-CD2 4.5Å; R184-L188 PolarHBondContact O-N 3.16Å; L185-L188 HydrophobicContact CD2-CD2 4.4Å; L185-L188 PolarHBondContact O-N 3.08Å; E186-L188 VanDerWaalsContact C-N 3.35Å; L188-S191 PolarHBondContact O-N 2.81Å; L188-Q192 HydrophobicContact CD1-CB 4.34Å; L188-Q192 HydrophobicContact CD1-CG 3.74Å; L188-Q192 WeakPolarHBondContact O-CB 3.22Å; L188-Q192 PolarHBondContact O-N 2.78Å; L188-L206 HydrophobicContact CB-CD1 4.14Å; L188-L206 HydrophobicContact CD2-CD1 3.9Å; L188-L206 HydrophobicContact CD2-CD2 4.24Å; L188-L206 HydrophobicContact CG-CD1 3.9Å; L188-I246 HydrophobicContact CD1-CG2 3.7Å; L188-L247 HydrophobicContact CD2-CD2 3.58Å; L188-F250 HydrophobicContact CB-CD1 4.39Å; L188-F250 HydrophobicContact CB-CD2 4.11Å; L188-F250 HydrophobicContact CB-CE2 4.45Å; L188-F250 HydrophobicContact CB-CG 4.1Å; L188-F250 HydrophobicContact CD1-CD2 3.65Å; L188-F250 HydrophobicContact CD1-CE2 3.65Å; L188-F250 HydrophobicContact CD1-CG 4.48Å; L188-F250 HydrophobicContact CD1-CZ 4.47Å; L188-F250 HydrophobicContact CG-CD2 4.43Å |
| 189 | V | 97.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 178 | 67.7 | 0 | 0 | 0 | 0 | 112 | L185 E186 S191 G193 A196 Y198 L206 | L185-V189 PolarHBondContact O-N 3.24Å; E186-V189 VanDerWaalsContact O-CG1 3.3Å; E186-V189 WeakPolarHBondContact O-CG1 3.37Å; V189-S191 VanDerWaalsContact C-N 3.32Å; V189-S191 PolarHBondContact O-N 2.82Å; V189-G193 WeakPolarHBondContact O-CA 3.3Å; V189-G193 PolarHBondContact O-N 3.19Å; V189-A196 HydrophobicContact CB-CB 4.47Å; V189-A196 HydrophobicContact CG2-CB 4.28Å; V189-Y198 HydrophobicContact CG1-CD1 4.44Å; V189-L206 HydrophobicContact CB-CD1 4.03Å |
| 190 | L | 96.5 | Very high | 96.3 | Very high | 152 Ų | 152 | 65 Ų | 65 | 80% | 0.796 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.3 | -38.2 | 175.3 | -71 | 171.2 | 0 | 0 | 0 | 112.1 | E186 G187 | E186-L190 WeakPolarHBondContact O-CD1 3.32Å; E186-L190 WeakPolarHBondContact O-CG 3.46Å; E186-L190 PolarHBondContact O-N 2.9Å; G187-L190 PolarHBondContact O-N 2.8Å |
| 191 | S | 95.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -79.5 | -35.6 | 178.6 | 171.5 | 0 | 0 | 0 | 0 | 113.8 | G187 L188 V189 F250 | G187-S191 PolarHBondContact O-N 2.92Å; L188-S191 PolarHBondContact O-N 2.81Å; V189-S191 VanDerWaalsContact C-N 3.32Å; V189-S191 PolarHBondContact O-N 2.82Å; S191-F250 VanDerWaalsContact CB-CZ 3.49Å |
| 192 | Q | 94.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 71.6 Ų | 71.6 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -115 | 24.9 | -170.8 | -60.3 | -64.1 | -53.8 | 0 | 0 | 112.4 | L188 Q194 F195 A196 Y208 I246 | L188-Q192 HydrophobicContact CD1-CB 4.34Å; L188-Q192 HydrophobicContact CD1-CG 3.74Å; L188-Q192 WeakPolarHBondContact O-CB 3.22Å; L188-Q192 PolarHBondContact O-N 2.78Å; Q192-Q194 PolarHBondContact O-N 2.85Å; Q192-F195 PolarHBondContact O-N 3.42Å; Q192-A196 HydrophobicContact CB-CB 4.12Å; Q192-A196 WeakPolarHBondContact O-CB 3.47Å; Q192-A196 PolarHBondContact O-N 2.85Å; Q192-Y208 HydrophobicContact CB-CE2 4.05Å; Q192-Y208 HydrophobicContact CG-CE2 4.31Å; Q192-I246 HydrophobicContact CG-CG2 4.13Å |
| 193 | G | 93.7 | Very high | 96.4 | Very high | 48 Ų | 48 | 70.2 Ų | 70.2 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V189 F195 | V189-G193 WeakPolarHBondContact O-CA 3.3Å; V189-G193 PolarHBondContact O-N 3.19Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.22Å |
| 194 | Q | 95.5 | Very high | 96.4 | Very high | 171 Ų | 171 | 74.2 Ų | 74.2 | 80% | 0.799 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -30.4 | 172.4 | -172.8 | 176.9 | 17.1 | 0 | 0 | 113 | Q192 | Q192-Q194 PolarHBondContact O-N 2.85Š|
| 195 | F | 96.6 | Very high | 96.4 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 26% | 0.263 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -19.3 | -176.7 | -53.6 | -65.2 | 0 | 0 | 0 | 112.7 | Q192 G193 Y208 R209 T211 | Q192-F195 PolarHBondContact O-N 3.42Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.22Å; F195-Y208 HydrophobicContact CB-CD2 4.32Å; F195-Y208 HydrophobicContact CB-CE1 4.21Å; F195-Y208 HydrophobicContact CB-CE2 3.86Å; F195-Y208 CarbonylContact O-C 3.56Å; F195-Y208 WeakPolarHBondContact O-CA 3.47Å; F195-R209 PolarHBondContact O-N 3.27Å; F195-T211 HydrophobicContact CD1-CG2 4.48Å; F195-T211 HydrophobicContact CE1-CG2 4.11Å |
| 196 | A | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V189 Q192 L206 I207 Y208 | V189-A196 HydrophobicContact CB-CB 4.47Å; V189-A196 HydrophobicContact CG2-CB 4.28Å; Q192-A196 HydrophobicContact CB-CB 4.12Å; Q192-A196 WeakPolarHBondContact O-CB 3.47Å; Q192-A196 PolarHBondContact O-N 2.85Å; A196-L206 HydrophobicContact CB-CD1 4.1Å; A196-L206 HydrophobicContact CB-CD2 3.93Å; A196-L206 HydrophobicContact CB-CG 4.22Å; A196-I207 CarbonylContact C-O 3.48Å; A196-I207 WeakPolarHBondContact CA-O 3.42Å; A196-Y208 HydrophobicContact CB-CD2 4.2Å |
| 197 | T | 97.8 | Very high | 96.6 | Very high | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.4 | 169.2 | -50.7 | 0 | 0 | 0 | 0 | 108.7 | I207 | T197-I207 PolarHBondContact N-O 3.16Å; T197-I207 PolarHBondContact O-N 2.93Å |
| 198 | Y | 98 | Very high | 96.7 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | trans | -143.6 | 110.6 | 179.8 | 178.6 | -124.2 | 0 | 0 | 0 | 110.2 | L185 E186 V189 P200 L206 | L185-Y198 HydrophobicContact CB-CD1 3.98Å; L185-Y198 HydrophobicContact CB-CD2 4.4Å; L185-Y198 HydrophobicContact CB-CE1 3.78Å; L185-Y198 HydrophobicContact CB-CE2 4.22Å; L185-Y198 HydrophobicContact CB-CG 4.28Å; L185-Y198 HydrophobicContact CD1-CD2 4.07Å; L185-Y198 HydrophobicContact CD1-CE2 3.58Å; E186-Y198 HydrophobicContact CG-CE1 4.24Å; V189-Y198 HydrophobicContact CG1-CD1 4.44Å; Y198-P200 HydrophobicContact CE1-CB 4.47Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 HydrophobicContact CE2-CB 4.11Å; Y198-L206 HydrophobicContact CD2-CB 4.06Å; Y198-L206 HydrophobicContact CG-CB 4.31Å | ||
| 199 | E | 96.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 73.6 Ų | 73.6 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | trans | -130.7 | 85.4 | -179.9 | -66.8 | -62.9 | 161.2 | 0 | 0 | 107.2 | E201 L202 F203 | E199-E201 PolarHBondContact O-N 2.88Å; E199-E201 VanDerWaalsContact O-N 3.14Å; E199-L202 HydrophobicContact CB-CB 4.13Å; E199-L202 HydrophobicContact CB-CD1 3.99Å; E199-L202 HydrophobicContact CB-CG 4.17Å; E199-L202 HydrophobicContact CG-CD1 4.4Å; E199-L202 PolarHBondContact O-N 2.77Å; E199-F203 PolarHBondContact O-N 2.95Å | ||
| 200 | P | 95.6 | Very high | 96.8 | Very high | 62 Ų | 62 | 72.9 Ų | 72.9 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.5 | -168.5 | 20.9 | -32.1 | 0 | 0 | 0 | 113.9 | Y198 L202 | Y198-P200 HydrophobicContact CE1-CB 4.47Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 HydrophobicContact CE2-CB 4.11Å; P200-L202 VanDerWaalsContact C-N 3.28Å; P200-L202 PolarHBondContact O-N 2.85Å |
| 201 | E | 96.7 | Very high | 96.7 | Very high | 179 Ų | 179 | 70.3 Ų | 70.3 | 84% | 0.836 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -25.5 | 175 | -57.5 | -54.2 | 137.7 | 0 | 0 | 112.8 | E199 | E199-E201 PolarHBondContact O-N 2.88Å; E199-E201 VanDerWaalsContact O-N 3.14Å |
| 202 | L | 96.7 | Very high | 96.7 | Very high | 149 Ų | 149 | 75 Ų | 75 | 78% | 0.78 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -41.3 | 177.6 | -61.9 | -179.1 | 0 | 0 | 0 | 112 | E199 P200 | E199-L202 HydrophobicContact CB-CB 4.13Å; E199-L202 HydrophobicContact CB-CD1 3.99Å; E199-L202 HydrophobicContact CB-CG 4.17Å; E199-L202 HydrophobicContact CG-CD1 4.4Å; E199-L202 PolarHBondContact O-N 2.77Å; P200-L202 VanDerWaalsContact C-N 3.28Å; P200-L202 PolarHBondContact O-N 2.85Å |
| 203 | F | 96.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 73.6 Ų | 73.6 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | trans | -155.5 | 129 | -178.4 | -178.7 | -114.9 | 0 | 0 | 0 | 111 | E199 G205 I207 L218 F220 | E199-F203 PolarHBondContact O-N 2.95Å; F203-G205 WeakPolarHBondContact CD1-O 3.42Å; F203-G205 PolarHBondContact O-N 2.92Å; F203-G205 VanDerWaalsContact O-N 3.11Å; F203-I207 HydrophobicContact CD1-CG1 4.3Å; F203-I207 HydrophobicContact CE1-CG1 4.5Å; F203-L218 HydrophobicContact CE1-CD2 4.26Å; F203-L218 HydrophobicContact CZ-CD1 4.25Å; F203-F220 HydrophobicContact CZ-CE1 4.13Å; F203-F220 AromaticContact CZ-CZ 3.97Å; F203-F220 HydrophobicContact CZ-CZ 3.97Å | ||
| 204 | P | 96.6 | Very high | 96.9 | Very high | 84 Ų | 84 | 80 Ų | 80 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -72 | -7.3 | -172.1 | 28.3 | -37.8 | 0 | 0 | 0 | 115.2 | ||
| 205 | G | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -106.3 | 149.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F203 V219 | F203-G205 WeakPolarHBondContact CD1-O 3.42Å; F203-G205 PolarHBondContact O-N 2.92Å; F203-G205 VanDerWaalsContact O-N 3.11Å; G205-V219 CarbonylContact C-O 3.5Å; G205-V219 WeakPolarHBondContact CA-O 3.37Å |
| 206 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.3 | 168.3 | 179.3 | 151.7 | 0 | 0 | 0 | 109.5 | L185 L188 V189 A196 Y198 Y208 L218 V219 | L185-L206 HydrophobicContact CB-CD1 4.36Å; L185-L206 HydrophobicContact CD1-CB 4.08Å; L185-L206 HydrophobicContact CD2-CB 4.02Å; L185-L206 HydrophobicContact CD2-CD1 4.39Å; L185-L206 HydrophobicContact CG-CB 4.43Å; L188-L206 HydrophobicContact CB-CD1 4.14Å; L188-L206 HydrophobicContact CD2-CD1 3.9Å; L188-L206 HydrophobicContact CD2-CD2 4.24Å; L188-L206 HydrophobicContact CG-CD1 3.9Å; V189-L206 HydrophobicContact CB-CD1 4.03Å; A196-L206 HydrophobicContact CB-CD1 4.1Å; A196-L206 HydrophobicContact CB-CD2 3.93Å; A196-L206 HydrophobicContact CB-CG 4.22Å; Y198-L206 HydrophobicContact CD2-CB 4.06Å; Y198-L206 HydrophobicContact CG-CB 4.31Å; L206-Y208 HydrophobicContact CD2-CD2 4.45Å; L206-L218 CarbonylContact O-C 3.49Å; L206-L218 WeakPolarHBondContact O-CA 3.36Å; L206-V219 HydrophobicContact CB-CB 4.43Å; L206-V219 HydrophobicContact CD2-CB 4.49Å; L206-V219 HydrophobicContact CD2-CG2 4.48Å; L206-V219 PolarHBondContact N-O 3.26Å; L206-V219 PolarHBondContact O-N 2.93Å |
| 207 | I | 98.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 70.9 Ų | 70.9 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111.1 | 174.2 | -56.1 | 175.4 | 0 | 0 | 0 | 107.9 | A196 T197 F203 R209 V216 L218 | A196-I207 CarbonylContact C-O 3.48Å; A196-I207 WeakPolarHBondContact CA-O 3.42Å; T197-I207 PolarHBondContact N-O 3.16Å; T197-I207 PolarHBondContact O-N 2.93Å; F203-I207 HydrophobicContact CD1-CG1 4.3Å; F203-I207 HydrophobicContact CE1-CG1 4.5Å; I207-R209 HydrophobicContact CG2-CG 4.33Å; I207-V216 HydrophobicContact CG2-CG1 3.87Å; I207-L218 HydrophobicContact CB-CD2 4.49Å; I207-L218 HydrophobicContact CG1-CD2 3.95Å; I207-L218 HydrophobicContact CG2-CD2 4.44Å |
| 208 | Y | 98.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 69.2 Ų | 69.2 | 6% | 0.059 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.1 | 175.2 | -169.5 | -81 | 0 | 0 | 0 | 110.2 | Q192 F195 A196 L206 M210 V216 L217 I243 | Q192-Y208 HydrophobicContact CB-CE2 4.05Å; Q192-Y208 HydrophobicContact CG-CE2 4.31Å; F195-Y208 HydrophobicContact CB-CD2 4.32Å; F195-Y208 HydrophobicContact CB-CE1 4.21Å; F195-Y208 HydrophobicContact CB-CE2 3.86Å; F195-Y208 CarbonylContact O-C 3.56Å; F195-Y208 WeakPolarHBondContact O-CA 3.47Å; A196-Y208 HydrophobicContact CB-CD2 4.2Å; L206-Y208 HydrophobicContact CD2-CD2 4.45Å; Y208-M210 HydrophobicContact CD1-CB 4.32Å; Y208-M210 HydrophobicContact CE1-CB 4.09Å; Y208-M210 HydrophobicContact CE1-CE 4.05Å; Y208-V216 CarbonylContact O-C 3.35Å; Y208-V216 WeakPolarHBondContact O-CA 3.44Å; Y208-L217 HydrophobicContact CD1-CD1 3.91Å; Y208-L217 PolarHBondContact N-O 3.47Å; Y208-L217 PolarHBondContact O-N 3.49Å; Y208-I243 HydrophobicContact CD1-CD1 3.97Å; Y208-I243 HydrophobicContact CD2-CD1 3.81Å; Y208-I243 HydrophobicContact CE1-CD1 3.73Å; Y208-I243 HydrophobicContact CE2-CD1 3.56Å; Y208-I243 HydrophobicContact CG-CD1 4Å |
| 209 | R | 98 | Very high | 97.2 | Very high | 141 Ų | 141 | 67.8 Ų | 67.8 | 53% | 0.532 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 97.2 | -178.9 | -61.5 | -178.9 | -175.6 | -83.8 | 1.2 | 109.5 | F195 I207 | F195-R209 PolarHBondContact O-N 3.27Å; I207-R209 HydrophobicContact CG2-CG 4.33Å |
| 210 | M | 97.5 | Very high | 97.3 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136.8 | 175 | -169.1 | 171.1 | -70.8 | 0 | 0 | 110.3 | Y208 K212 P213 K214 I215 L217 A239 N242 I243 | Y208-M210 HydrophobicContact CD1-CB 4.32Å; Y208-M210 HydrophobicContact CE1-CB 4.09Å; Y208-M210 HydrophobicContact CE1-CE 4.05Å; M210-K212 WeakPolarHBondContact CG-O 3.47Å; M210-P213 CarbonylContact C-O 3.6Å; M210-P213 WeakPolarHBondContact CG-O 3.37Å; M210-K214 WeakPolarHBondContact O-CA 3.48Å; M210-I215 WeakPolarHBondContact CB-O 3.37Å; M210-I215 PolarHBondContact N-O 3.35Å; M210-I215 PolarHBondContact O-N 2.97Å; M210-L217 HydrophobicContact CB-CD1 4.07Å; M210-L217 HydrophobicContact CE-CD1 4.25Å; M210-A239 HydrophobicContact CE-CB 4.41Å; M210-A239 WeakPolarHBondContact CE-O 3.49Å; M210-A239 HydrophobicContact SD-CB 3.8Å; M210-N242 HydrophobicContact CE-CB 3.67Å; M210-N242 HydrophobicContact SD-CB 4.09Å; M210-I243 HydrophobicContact CE-CB 4.26Å |
| 211 | T | 95.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 64 Ų | 64 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -34.9 | 179.8 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | F195 P213 K214 | F195-T211 HydrophobicContact CD1-CG2 4.48Å; F195-T211 HydrophobicContact CE1-CG2 4.11Å; T211-P213 CarbonylContact C-O 3.55Å; T211-P213 CarbonylContact O-C 3.46Å; T211-K214 PolarHBondContact O-N 3.08Å |
| 212 | K | 94.3 | Very high | 97.4 | Very high | 167 Ų | 167 | 58 Ų | 58 | 73% | 0.726 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.9 | 111.4 | 179.1 | -67.4 | -174.1 | 179.7 | -179.9 | 0 | 110.7 | M210 | M210-K212 WeakPolarHBondContact CG-O 3.47Š|
| 213 | P | 96.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -63 | 161.2 | -14.4 | 29.2 | -34.7 | 0 | 0 | 0 | 111.1 | M210 T211 I215 E235 E238 A239 | M210-P213 CarbonylContact C-O 3.6Å; M210-P213 WeakPolarHBondContact CG-O 3.37Å; T211-P213 CarbonylContact C-O 3.55Å; T211-P213 CarbonylContact O-C 3.46Å; P213-I215 VanDerWaalsContact C-N 3.33Å; P213-I215 HydrophobicContact CB-CG1 4.04Å; P213-I215 HydrophobicContact CG-CG1 3.81Å; P213-I215 PolarHBondContact O-N 2.91Å; P213-E235 HydrophobicContact CB-CB 4.08Å; P213-E235 HydrophobicContact CB-CG 4.22Å; P213-E235 HydrophobicContact CG-CB 4.19Å; P213-E235 WeakPolarHBondContact CG-O 3.3Å; P213-E238 HydrophobicContact CG-CB 4.36Å; P213-E238 HydrophobicContact CG-CG 4.47Å; P213-A239 HydrophobicContact CG-CB 4.03Å |
| 214 | K | 97.1 | Very high | 97.5 | Very high | 182 Ų | 182 | 53.2 Ų | 53.2 | 79% | 0.791 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 84.5 | -179.2 | -173.3 | 177.7 | 179.5 | 173.8 | 0 | 110.6 | M210 T211 | M210-K214 WeakPolarHBondContact O-CA 3.48Å; T211-K214 PolarHBondContact O-N 3.08Å |
| 215 | I | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.8 | -173.1 | -60.8 | -61.7 | 0 | 0 | 0 | 110.2 | M210 P213 L217 L227 A230 E235 A239 | M210-I215 WeakPolarHBondContact CB-O 3.37Å; M210-I215 PolarHBondContact N-O 3.35Å; M210-I215 PolarHBondContact O-N 2.97Å; P213-I215 VanDerWaalsContact C-N 3.33Å; P213-I215 HydrophobicContact CB-CG1 4.04Å; P213-I215 HydrophobicContact CG-CG1 3.81Å; P213-I215 PolarHBondContact O-N 2.91Å; I215-L217 HydrophobicContact CG2-CD1 4.04Å; I215-L217 HydrophobicContact CG2-CG 4.29Å; I215-L227 HydrophobicContact CG2-CB 4.32Å; I215-A230 HydrophobicContact CD1-CB 3.51Å; I215-E235 HydrophobicContact CD1-CB 4.33Å; I215-A239 HydrophobicContact CB-CB 4.04Å; I215-A239 HydrophobicContact CG1-CB 4.02Å; I215-A239 HydrophobicContact CG2-CB 3.99Å |
| 216 | V | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.2 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | I207 Y208 L218 T228 | I207-V216 HydrophobicContact CG2-CG1 3.87Å; Y208-V216 CarbonylContact O-C 3.35Å; Y208-V216 WeakPolarHBondContact O-CA 3.44Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; V216-T228 HydrophobicContact CB-CG2 4.24Å; V216-T228 PolarHBondContact N-O 2.99Å; V216-T228 PolarHBondContact O-N 2.94Å |
| 217 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.3 | 175.2 | -55.2 | 87.4 | 0 | 0 | 0 | 109.4 | Y208 M210 I215 V219 I225 V226 L227 I243 | Y208-L217 HydrophobicContact CD1-CD1 3.91Å; Y208-L217 PolarHBondContact N-O 3.47Å; Y208-L217 PolarHBondContact O-N 3.49Å; M210-L217 HydrophobicContact CB-CD1 4.07Å; M210-L217 HydrophobicContact CE-CD1 4.25Å; I215-L217 HydrophobicContact CG2-CD1 4.04Å; I215-L217 HydrophobicContact CG2-CG 4.29Å; L217-V219 HydrophobicContact CB-CG2 4.48Å; L217-I225 HydrophobicContact CD2-CG2 4.37Å; L217-V226 CarbonylContact C-O 3.51Å; L217-V226 VanDerWaalsContact CA-O 3.26Å; L217-V226 WeakPolarHBondContact CA-O 3.24Å; L217-L227 HydrophobicContact CD2-CD2 3.62Å; L217-L227 HydrophobicContact CD2-CG 3.98Å; L217-L227 HydrophobicContact CG-CD2 4.02Å; L217-L227 HydrophobicContact CG-CG 4.08Å; L217-I243 HydrophobicContact CD2-CB 4.07Å; L217-I243 HydrophobicContact CD2-CG1 4.3Å; L217-I243 HydrophobicContact CD2-CG2 3.62Å |
| 218 | L | 98.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.2 | 168.4 | -50.6 | -179.8 | 0 | 0 | 0 | 107.5 | F203 L206 I207 V216 F220 I225 V226 | F203-L218 HydrophobicContact CE1-CD2 4.26Å; F203-L218 HydrophobicContact CZ-CD1 4.25Å; L206-L218 CarbonylContact O-C 3.49Å; L206-L218 WeakPolarHBondContact O-CA 3.36Å; I207-L218 HydrophobicContact CB-CD2 4.49Å; I207-L218 HydrophobicContact CG1-CD2 3.95Å; I207-L218 HydrophobicContact CG2-CD2 4.44Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; L218-F220 HydrophobicContact CB-CE2 4.06Å; L218-F220 HydrophobicContact CB-CZ 4.45Å; L218-I225 CarbonylContact O-C 3.48Å; L218-I225 VanDerWaalsContact O-CA 3.27Å; L218-I225 WeakPolarHBondContact O-CA 3.44Å; L218-V226 HydrophobicContact CB-CB 4.19Å; L218-V226 HydrophobicContact CD1-CB 4.42Å; L218-V226 HydrophobicContact CG-CB 4.48Å; L218-V226 PolarHBondContact N-O 2.94Å; L218-V226 PolarHBondContact O-N 2.82Å |
| 219 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.4 | -176.5 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | I183 L185 G205 L206 L217 I225 L247 | I183-V219 HydrophobicContact CD1-CG1 3.53Å; L185-V219 HydrophobicContact CD2-CB 4.34Å; L185-V219 HydrophobicContact CD2-CG1 3.87Å; G205-V219 CarbonylContact C-O 3.5Å; G205-V219 WeakPolarHBondContact CA-O 3.37Å; L206-V219 HydrophobicContact CB-CB 4.43Å; L206-V219 HydrophobicContact CD2-CB 4.49Å; L206-V219 HydrophobicContact CD2-CG2 4.48Å; L206-V219 PolarHBondContact N-O 3.26Å; L206-V219 PolarHBondContact O-N 2.93Å; L217-V219 HydrophobicContact CB-CG2 4.48Å; V219-I225 HydrophobicContact CG1-CG1 4.38Å; V219-L247 HydrophobicContact CG1-CD1 4.49Å; V219-L247 HydrophobicContact CG1-CD2 4.04Å; V219-L247 HydrophobicContact CG2-CD2 4.49Å |
| 220 | F | 98.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 23% | 0.228 | 24% | 0.237 | C | C | . | . | trans | -104.6 | 152.1 | -179.8 | -64.2 | -88.5 | 0 | 0 | 0 | 111.2 | F203 L218 S222 G223 K224 V226 | F203-F220 HydrophobicContact CZ-CE1 4.13Å; F203-F220 AromaticContact CZ-CZ 3.97Å; F203-F220 HydrophobicContact CZ-CZ 3.97Å; L218-F220 HydrophobicContact CB-CE2 4.06Å; L218-F220 HydrophobicContact CB-CZ 4.45Å; F220-S222 PolarHBondContact O-N 3.29Å; F220-G223 PolarHBondContact O-N 3.01Å; F220-K224 HydrophobicContact CB-CB 4.43Å; F220-K224 HydrophobicContact CD2-CB 4.32Å; F220-K224 WeakPolarHBondContact CD2-O 3.06Å; F220-K224 PolarHBondContact N-O 3.04Å; F220-V226 HydrophobicContact CE2-CG2 4.32Å | ||
| 221 | V | 97.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31.4 | 177 | 176.9 | 0 | 0 | 0 | 0 | 112 | H182 I183 L185 G223 | H182-V221 CarbonylContact C-O 3.56Å; H182-V221 WeakPolarHBondContact CA-O 3.45Å; I183-V221 PolarHBondContact N-O 3.03Å; L185-V221 HydrophobicContact CD1-CG2 3.59Å; L185-V221 HydrophobicContact CG-CG2 3.9Å; V221-G223 PolarHBondContact O-N 3.48Å |
| 222 | S | 96.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.3 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | F220 | F220-S222 PolarHBondContact O-N 3.29Š|
| 223 | G | 97.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 90.9 | -3.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V179 F181 F220 V221 | V179-G223 WeakPolarHBondContact CG2-O 3.48Å; V179-G223 PolarHBondContact N-O 3.05Å; F181-G223 VanDerWaalsContact O-CA 3.28Å; F181-G223 WeakPolarHBondContact O-CA 3.3Å; F220-G223 PolarHBondContact O-N 3.01Å; V221-G223 PolarHBondContact O-N 3.48Å |
| 224 | K | 98 | Very high | 97.8 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 53% | 0.53 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.9 | 170 | -64.7 | -176.2 | -178.9 | 179.5 | 0 | 110.2 | F220 | F220-K224 HydrophobicContact CB-CB 4.43Å; F220-K224 HydrophobicContact CD2-CB 4.32Å; F220-K224 WeakPolarHBondContact CD2-O 3.06Å; F220-K224 PolarHBondContact N-O 3.04Å |
| 225 | I | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.4 | -179.4 | -57.1 | 175.2 | 0 | 0 | 0 | 109.3 | S176 C177 V179 L217 L218 V219 L227 F240 L247 | S176-I225 CarbonylContact C-O 3.57Å; S176-I225 WeakPolarHBondContact CA-O 3.35Å; C177-I225 PolarHBondContact N-O 2.92Å; C177-I225 PolarHBondContact O-N 2.89Å; V179-I225 HydrophobicContact CG1-CD1 3.5Å; V179-I225 VanDerWaalsContact CG1-CD1 3.5Å; V179-I225 HydrophobicContact CG1-CG1 4.46Å; L217-I225 HydrophobicContact CD2-CG2 4.37Å; L218-I225 CarbonylContact O-C 3.48Å; L218-I225 VanDerWaalsContact O-CA 3.27Å; L218-I225 WeakPolarHBondContact O-CA 3.44Å; V219-I225 HydrophobicContact CG1-CG1 4.38Å; I225-L227 HydrophobicContact CG2-CD1 3.94Å; I225-L227 HydrophobicContact CG2-CG 4.26Å; I225-F240 HydrophobicContact CD1-CE2 4.02Å; I225-L247 HydrophobicContact CD1-CD1 3.21Å; I225-L247 HydrophobicContact CG1-CD1 4.39Å |
| 226 | V | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | V174 G175 L217 L218 F220 | V174-V226 HydrophobicContact CG1-CG1 3.88Å; G175-V226 CarbonylContact O-C 3.57Å; G175-V226 WeakPolarHBondContact O-CA 3.33Å; L217-V226 CarbonylContact C-O 3.51Å; L217-V226 VanDerWaalsContact CA-O 3.26Å; L217-V226 WeakPolarHBondContact CA-O 3.24Å; L218-V226 HydrophobicContact CB-CB 4.19Å; L218-V226 HydrophobicContact CD1-CB 4.42Å; L218-V226 HydrophobicContact CG-CB 4.48Å; L218-V226 PolarHBondContact N-O 2.94Å; L218-V226 PolarHBondContact O-N 2.82Å; F220-V226 HydrophobicContact CE2-CG2 4.32Å |
| 227 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.3 | 177.7 | -56.9 | 93.8 | 0 | 0 | 0 | 108.8 | P78 V174 G175 I215 L217 I225 I236 A239 F240 | P78-L227 HydrophobicContact CB-CD1 4.39Å; V174-L227 CarbonylContact C-O 3.57Å; V174-L227 VanDerWaalsContact CA-O 3.31Å; V174-L227 WeakPolarHBondContact CA-O 2.91Å; G175-L227 PolarHBondContact N-O 3.49Å; G175-L227 PolarHBondContact O-N 3.49Å; I215-L227 HydrophobicContact CG2-CB 4.32Å; L217-L227 HydrophobicContact CD2-CD2 3.62Å; L217-L227 HydrophobicContact CD2-CG 3.98Å; L217-L227 HydrophobicContact CG-CD2 4.02Å; L217-L227 HydrophobicContact CG-CG 4.08Å; I225-L227 HydrophobicContact CG2-CD1 3.94Å; I225-L227 HydrophobicContact CG2-CG 4.26Å; L227-I236 HydrophobicContact CB-CG2 4.25Å; L227-I236 HydrophobicContact CD1-CG2 4.42Å; L227-I236 HydrophobicContact CD2-CG2 4.2Å; L227-A239 HydrophobicContact CD2-CB 4.03Å; L227-F240 HydrophobicContact CD1-CD2 4.47Å; L227-F240 HydrophobicContact CD2-CB 4.09Å |
| 228 | T | 97.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.8 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | N172 V216 | N172-T228 PolarHBondContact ND2-OG1 3.23Å; N172-T228 VanDerWaalsContact ND2-OG1 3.11Å; V216-T228 HydrophobicContact CB-CG2 4.24Å; V216-T228 PolarHBondContact N-O 2.99Å; V216-T228 PolarHBondContact O-N 2.94Å |
| 229 | G | 96.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.4 | -10.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N172 | N172-G229 VanDerWaalsContact OD1-CA 3.23Å; N172-G229 WeakPolarHBondContact OD1-CA 3.49Å; N172-G229 PolarHBondContact OD1-N 3.22Å |
| 230 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 147.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N172 M173 I215 E235 I236 | N172-A230 CarbonylContact C-O 3.57Å; N172-A230 VanDerWaalsContact CA-O 3.3Å; N172-A230 WeakPolarHBondContact CA-O 3.46Å; M173-A230 HydrophobicContact CB-CB 4.26Å; M173-A230 PolarHBondContact N-O 3.4Å; I215-A230 HydrophobicContact CD1-CB 3.51Å; A230-E235 WeakPolarHBondContact CA-OE2 3.4Å; A230-E235 HydrophobicContact CB-CB 4.03Å; A230-I236 HydrophobicContact CB-CD1 4.02Å; A230-I236 HydrophobicContact CB-CG1 3.47Å; A230-I236 VanDerWaalsContact CB-CG1 3.47Å |
| 231 | K | 97.7 | Very high | 97.6 | Very high | 102 Ų | 102 | 47.7 Ų | 47.7 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -109.4 | -13.6 | 168 | -68.4 | 178.5 | -177.5 | 170.7 | 0 | 112.2 | M173 E235 | M173-K231 WeakPolarHBondContact CE-O 3.36Å; K231-E235 PolarHBondContact N-OE2 3.3Å |
| 232 | V | 97.3 | Very high | 97.5 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -132.7 | 140.4 | -176.4 | 176 | 0 | 0 | 0 | 0 | 107.9 | E234 E235 | V232-E234 VanDerWaalsContact C-N 3.27Å; V232-E234 HydrophobicContact CG1-CB 4.22Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.41Å; V232-E234 PolarHBondContact O-N 3.12Å; V232-E235 HydrophobicContact CB-CG 4.2Å; V232-E235 PolarHBondContact N-OE2 3.03Å; V232-E235 WeakPolarHBondContact O-CB 3.49Å; V232-E235 PolarHBondContact O-N 3.38Å |
| 233 | R | 97 | Very high | 97.5 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | -173.2 | -179 | -173.4 | -68.6 | -172.6 | -7.1 | 111.8 | L80 E142 M173 E235 I236 Y237 | L80-R233 HydrophobicContact CD1-CG 4.26Å; E142-R233 VanDerWaalsContact CD-NH2 3.26Å; E142-R233 WeakPolarHBondContact OE1-CB 3.36Å; E142-R233 IonicContact OE1-CZ 2.95Å; E142-R233 VanDerWaalsContact OE1-CZ 3.31Å; E142-R233 IonicContact OE1-NE 3.02Å; E142-R233 PolarHBondContact OE1-NE 3.37Å; E142-R233 IonicContact OE1-NH2 3.78Å; E142-R233 PolarHBondContact OE1-NH2 3Å; E142-R233 IonicContact OE2-CZ 3.72Å; E142-R233 IonicContact OE2-NE 3.51Å; E142-R233 IonicContact OE2-NH2 3.79Å; E142-R233 PolarHBondContact OE2-NH2 3.48Å; M173-R233 HydrophobicContact SD-CB 4.29Å; R233-E235 PolarHBondContact O-N 3.44Å; R233-I236 WeakPolarHBondContact O-CB 3.28Å; R233-I236 PolarHBondContact O-N 2.84Å; R233-Y237 WeakPolarHBondContact CD-OH 3.5Å; R233-Y237 HydrophobicContact CG-CD2 4.4Å; R233-Y237 HydrophobicContact CG-CE1 4.35Å; R233-Y237 HydrophobicContact CG-CE2 3.68Å; R233-Y237 PolarHBondContact O-N 3.04Å |
| 234 | E | 97.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 48 Ų | 48 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -33.7 | 179.6 | -68 | 65.3 | -146.9 | 0 | 0 | 111.9 | V232 I236 Y237 E238 | V232-E234 VanDerWaalsContact C-N 3.27Å; V232-E234 HydrophobicContact CG1-CB 4.22Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.41Å; V232-E234 PolarHBondContact O-N 3.12Å; E234-I236 VanDerWaalsContact C-N 3.27Å; E234-I236 PolarHBondContact O-N 2.91Å; E234-Y237 PolarHBondContact O-N 3.14Å; E234-Y237 VanDerWaalsContact O-N 3.17Å; E234-E238 WeakPolarHBondContact O-CB 3.28Å; E234-E238 PolarHBondContact O-N 3.43Å |
| 235 | E | 97.8 | Very high | 97.4 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -32.6 | 175.9 | -62.4 | 176.2 | 135.5 | 0 | 0 | 112 | P213 I215 A230 K231 V232 R233 A239 | P213-E235 HydrophobicContact CB-CB 4.08Å; P213-E235 HydrophobicContact CB-CG 4.22Å; P213-E235 HydrophobicContact CG-CB 4.19Å; P213-E235 WeakPolarHBondContact CG-O 3.3Å; I215-E235 HydrophobicContact CD1-CB 4.33Å; A230-E235 WeakPolarHBondContact CA-OE2 3.4Å; A230-E235 HydrophobicContact CB-CB 4.03Å; K231-E235 PolarHBondContact N-OE2 3.3Å; V232-E235 HydrophobicContact CB-CG 4.2Å; V232-E235 PolarHBondContact N-OE2 3.03Å; V232-E235 WeakPolarHBondContact O-CB 3.49Å; V232-E235 PolarHBondContact O-N 3.38Å; R233-E235 PolarHBondContact O-N 3.44Å; E235-A239 WeakPolarHBondContact O-CB 3.43Å; E235-A239 PolarHBondContact O-N 2.89Å |
| 236 | I | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -42.7 | 175.9 | -64.6 | 178.3 | 0 | 0 | 0 | 110 | P78 L80 M173 L227 A230 R233 E234 F240 | P78-I236 HydrophobicContact CB-CG2 3.8Å; P78-I236 HydrophobicContact CG-CG2 4.32Å; L80-I236 HydrophobicContact CD2-CD1 3.49Å; L80-I236 VanDerWaalsContact CD2-CD1 3.49Å; M173-I236 HydrophobicContact CB-CD1 3.81Å; L227-I236 HydrophobicContact CB-CG2 4.25Å; L227-I236 HydrophobicContact CD1-CG2 4.42Å; L227-I236 HydrophobicContact CD2-CG2 4.2Å; A230-I236 HydrophobicContact CB-CD1 4.02Å; A230-I236 HydrophobicContact CB-CG1 3.47Å; A230-I236 VanDerWaalsContact CB-CG1 3.47Å; R233-I236 WeakPolarHBondContact O-CB 3.28Å; R233-I236 PolarHBondContact O-N 2.84Å; E234-I236 VanDerWaalsContact C-N 3.27Å; E234-I236 PolarHBondContact O-N 2.91Å; I236-F240 WeakPolarHBondContact O-CB 3.4Å; I236-F240 PolarHBondContact O-N 2.82Å |
| 237 | Y | 97.5 | Very high | 97.1 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 30% | 0.302 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.7 | -43.7 | 179.6 | -59.3 | -25.7 | 0 | 0 | 0 | 111.7 | V77 P78 R233 E234 F240 N241 | V77-Y237 HydrophobicContact CG1-CE1 4.24Å; P78-Y237 HydrophobicContact CB-CD1 4.44Å; P78-Y237 HydrophobicContact CB-CE1 4.5Å; P78-Y237 HydrophobicContact CG-CD1 4.35Å; R233-Y237 WeakPolarHBondContact CD-OH 3.5Å; R233-Y237 HydrophobicContact CG-CD2 4.4Å; R233-Y237 HydrophobicContact CG-CE1 4.35Å; R233-Y237 HydrophobicContact CG-CE2 3.68Å; R233-Y237 PolarHBondContact O-N 3.04Å; E234-Y237 PolarHBondContact O-N 3.14Å; E234-Y237 VanDerWaalsContact O-N 3.17Å; Y237-F240 PolarHBondContact O-N 3.31Å; Y237-N241 WeakPolarHBondContact O-CB 3.38Å; Y237-N241 VanDerWaalsContact O-CG 3.23Å; Y237-N241 PolarHBondContact O-N 2.9Å; Y237-N241 PolarHBondContact O-ND2 2.93Å |
| 238 | E | 97.5 | Very high | 97 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 174.5 | -172 | -175.1 | 161.3 | 0 | 0 | 111.2 | P213 E234 F240 N241 N242 | P213-E238 HydrophobicContact CG-CB 4.36Å; P213-E238 HydrophobicContact CG-CG 4.47Å; E234-E238 WeakPolarHBondContact O-CB 3.28Å; E234-E238 PolarHBondContact O-N 3.43Å; E238-F240 VanDerWaalsContact C-N 3.29Å; E238-F240 PolarHBondContact O-N 3.41Å; E238-N241 PolarHBondContact O-N 3.46Å; E238-N242 WeakPolarHBondContact O-CB 3.33Å; E238-N242 VanDerWaalsContact O-CG 3.23Å; E238-N242 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-ND2 3.04Å |
| 239 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M210 P213 I215 L227 E235 I243 | M210-A239 HydrophobicContact CE-CB 4.41Å; M210-A239 WeakPolarHBondContact CE-O 3.49Å; M210-A239 HydrophobicContact SD-CB 3.8Å; P213-A239 HydrophobicContact CG-CB 4.03Å; I215-A239 HydrophobicContact CB-CB 4.04Å; I215-A239 HydrophobicContact CG1-CB 4.02Å; I215-A239 HydrophobicContact CG2-CB 3.99Å; L227-A239 HydrophobicContact CD2-CB 4.03Å; E235-A239 WeakPolarHBondContact O-CB 3.43Å; E235-A239 PolarHBondContact O-N 2.89Å; A239-I243 PolarHBondContact O-N 3.28Å; A239-I243 VanDerWaalsContact O-N 3.15Å |
| 240 | F | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 176.8 | -174.1 | -94.5 | 0 | 0 | 0 | 112.2 | I75 P76 P78 C177 V179 I225 L227 I236 Y237 E238 N242 I243 Y244 | I75-F240 HydrophobicContact CG2-CD1 4.19Å; I75-F240 HydrophobicContact CG2-CE1 3.66Å; P76-F240 HydrophobicContact CB-CZ 4.22Å; P76-F240 WeakPolarHBondContact O-CE1 3.46Å; P78-F240 HydrophobicContact CG-CB 3.45Å; P78-F240 VanDerWaalsContact CG-CB 3.45Å; P78-F240 HydrophobicContact CG-CD1 3.87Å; P78-F240 HydrophobicContact CG-CD2 3.71Å; P78-F240 HydrophobicContact CG-CE2 4.41Å; P78-F240 HydrophobicContact CG-CG 3.38Å; C177-F240 HydrophobicContact CB-CD2 4.01Å; C177-F240 HydrophobicContact CB-CE2 3.51Å; C177-F240 HydrophobicContact CB-CZ 4.11Å; C177-F240 VanDerWaalsContact SG-CE2 3.54Å; C177-F240 WeakPolarHBondContact SG-CZ 3.44Å; V179-F240 HydrophobicContact CG1-CE2 4.12Å; V179-F240 HydrophobicContact CG1-CZ 4Å; I225-F240 HydrophobicContact CD1-CE2 4.02Å; L227-F240 HydrophobicContact CD1-CD2 4.47Å; L227-F240 HydrophobicContact CD2-CB 4.09Å; I236-F240 WeakPolarHBondContact O-CB 3.4Å; I236-F240 PolarHBondContact O-N 2.82Å; Y237-F240 PolarHBondContact O-N 3.31Å; E238-F240 VanDerWaalsContact C-N 3.29Å; E238-F240 PolarHBondContact O-N 3.41Å; F240-N242 VanDerWaalsContact C-N 3.27Å; F240-N242 PolarHBondContact O-N 3.09Å; F240-I243 WeakPolarHBondContact O-CG2 3.22Å; F240-I243 PolarHBondContact O-N 3.28Å; F240-Y244 AromaticContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CG 4.15Å; F240-Y244 AromaticContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CE2 4.41Å; F240-Y244 HydrophobicContact CZ-CG 4.4Å; F240-Y244 VanDerWaalsContact O-CB 3.23Å; F240-Y244 WeakPolarHBondContact O-CB 3.19Å; F240-Y244 PolarHBondContact O-N 3.16Å |
| 241 | N | 96.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 177.6 | -72.7 | -22.7 | 0 | 0 | 0 | 112.4 | Y237 E238 P245 | Y237-N241 WeakPolarHBondContact O-CB 3.38Å; Y237-N241 VanDerWaalsContact O-CG 3.23Å; Y237-N241 PolarHBondContact O-N 2.9Å; Y237-N241 PolarHBondContact O-ND2 2.93Å; E238-N241 PolarHBondContact O-N 3.46Å; N241-P245 WeakPolarHBondContact O-CD 3.48Å |
| 242 | N | 96.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70 | -42 | 175.8 | -71.3 | -13.2 | 0 | 0 | 0 | 112.5 | M210 E238 F240 | M210-N242 HydrophobicContact CE-CB 3.67Å; M210-N242 HydrophobicContact SD-CB 4.09Å; E238-N242 WeakPolarHBondContact O-CB 3.33Å; E238-N242 VanDerWaalsContact O-CG 3.23Å; E238-N242 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-ND2 3.04Å; F240-N242 VanDerWaalsContact C-N 3.27Å; F240-N242 PolarHBondContact O-N 3.09Å |
| 243 | I | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -81.4 | -31.9 | -176.6 | -159 | 60.2 | 0 | 0 | 0 | 112.5 | Y208 M210 L217 A239 F240 I246 L247 | Y208-I243 HydrophobicContact CD1-CD1 3.97Å; Y208-I243 HydrophobicContact CD2-CD1 3.81Å; Y208-I243 HydrophobicContact CE1-CD1 3.73Å; Y208-I243 HydrophobicContact CE2-CD1 3.56Å; Y208-I243 HydrophobicContact CG-CD1 4Å; M210-I243 HydrophobicContact CE-CB 4.26Å; L217-I243 HydrophobicContact CD2-CB 4.07Å; L217-I243 HydrophobicContact CD2-CG1 4.3Å; L217-I243 HydrophobicContact CD2-CG2 3.62Å; A239-I243 PolarHBondContact O-N 3.28Å; A239-I243 VanDerWaalsContact O-N 3.15Å; F240-I243 WeakPolarHBondContact O-CG2 3.22Å; F240-I243 PolarHBondContact O-N 3.28Å; I243-I246 HydrophobicContact CD1-CB 4.39Å; I243-I246 HydrophobicContact CD1-CD1 4.13Å; I243-I246 WeakPolarHBondContact O-CA 3.44Å; I243-I246 WeakPolarHBondContact O-CB 3.36Å; I243-I246 PolarHBondContact O-N 3.48Å; I243-L247 HydrophobicContact CG1-CD1 4.2Å; I243-L247 HydrophobicContact CG1-CD2 4.1Å; I243-L247 HydrophobicContact CG1-CG 3.98Å; I243-L247 HydrophobicContact CG2-CD1 4.12Å; I243-L247 WeakPolarHBondContact O-CG 3.16Å; I243-L247 PolarHBondContact O-N 3.42Å |
| 244 | Y | 96.8 | Very high | 94.5 | Very high | 31 Ų | 31 | 64 Ų | 64 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.3 | -44.5 | -170.5 | -179.3 | -101 | 0 | 0 | 0 | 114 | I75 P76 V179 F181 F240 I246 L247 K248 | I75-Y244 HydrophobicContact CB-CD1 4.49Å; I75-Y244 HydrophobicContact CB-CE1 4.29Å; I75-Y244 HydrophobicContact CD1-CD1 4.26Å; I75-Y244 HydrophobicContact CD1-CE1 4.45Å; I75-Y244 HydrophobicContact CG1-CD1 4.02Å; I75-Y244 HydrophobicContact CG1-CE1 3.78Å; I75-Y244 HydrophobicContact CG2-CD1 3.9Å; I75-Y244 HydrophobicContact CG2-CD2 4.5Å; I75-Y244 HydrophobicContact CG2-CE1 4.11Å; I75-Y244 HydrophobicContact CG2-CG 4.1Å; P76-Y244 HydrophobicContact CG-CE2 4.25Å; V179-Y244 HydrophobicContact CB-CE2 4.18Å; V179-Y244 HydrophobicContact CG1-CD2 3.93Å; V179-Y244 HydrophobicContact CG1-CE2 4.01Å; F181-Y244 HydrophobicContact CE1-CE2 4.26Å; F240-Y244 AromaticContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CG 4.15Å; F240-Y244 AromaticContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CE2 4.41Å; F240-Y244 HydrophobicContact CZ-CG 4.4Å; F240-Y244 VanDerWaalsContact O-CB 3.23Å; F240-Y244 WeakPolarHBondContact O-CB 3.19Å; F240-Y244 PolarHBondContact O-N 3.16Å; Y244-I246 VanDerWaalsContact C-N 3.3Å; Y244-I246 PolarHBondContact O-N 3.14Å; Y244-L247 PolarHBondContact O-N 2.94Å; Y244-K248 PolarHBondContact O-N 3.29Å |
| 245 | P | 95.5 | Very high | 92.6 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 174.4 | -23.3 | 34 | 0 | 0 | 0 | 113 | N241 K248 N249 | N241-P245 WeakPolarHBondContact O-CD 3.48Å; P245-K248 PolarHBondContact O-N 3.2Å; P245-N249 PolarHBondContact O-N 3.4Å |
| 246 | I | 95.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 177.3 | -56.9 | 174.6 | 0 | 0 | 0 | 109.2 | L188 Q192 I243 Y244 K248 N249 F250 | L188-I246 HydrophobicContact CD1-CG2 3.7Å; Q192-I246 HydrophobicContact CG-CG2 4.13Å; I243-I246 HydrophobicContact CD1-CB 4.39Å; I243-I246 HydrophobicContact CD1-CD1 4.13Å; I243-I246 WeakPolarHBondContact O-CA 3.44Å; I243-I246 WeakPolarHBondContact O-CB 3.36Å; I243-I246 PolarHBondContact O-N 3.48Å; Y244-I246 VanDerWaalsContact C-N 3.3Å; Y244-I246 PolarHBondContact O-N 3.14Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.26Å; I246-N249 WeakPolarHBondContact O-CB 3.21Å; I246-N249 PolarHBondContact O-N 2.79Å; I246-N249 VanDerWaalsContact O-N 3.12Å; I246-F250 HydrophobicContact CG2-CD2 4.37Å; I246-F250 HydrophobicContact CG2-CE2 4.01Å; I246-F250 WeakPolarHBondContact O-CD2 3.41Å |
| 247 | L | 96.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | -179.8 | -59.2 | -178.7 | 0 | 0 | 0 | 112.7 | V179 F181 I183 L188 V219 I225 I243 Y244 N249 F250 K251 | V179-L247 HydrophobicContact CG1-CD1 4.4Å; F181-L247 HydrophobicContact CZ-CB 4.45Å; I183-L247 HydrophobicContact CD1-CB 4.34Å; I183-L247 HydrophobicContact CD1-CD1 4.17Å; I183-L247 HydrophobicContact CD1-CD2 4.28Å; I183-L247 HydrophobicContact CD1-CG 4.49Å; L188-L247 HydrophobicContact CD2-CD2 3.58Å; V219-L247 HydrophobicContact CG1-CD1 4.49Å; V219-L247 HydrophobicContact CG1-CD2 4.04Å; V219-L247 HydrophobicContact CG2-CD2 4.49Å; I225-L247 HydrophobicContact CD1-CD1 3.21Å; I225-L247 HydrophobicContact CG1-CD1 4.39Å; I243-L247 HydrophobicContact CG1-CD1 4.2Å; I243-L247 HydrophobicContact CG1-CD2 4.1Å; I243-L247 HydrophobicContact CG1-CG 3.98Å; I243-L247 HydrophobicContact CG2-CD1 4.12Å; I243-L247 WeakPolarHBondContact O-CG 3.16Å; I243-L247 PolarHBondContact O-N 3.42Å; Y244-L247 PolarHBondContact O-N 2.94Å; L247-N249 PolarHBondContact O-N 3.17Å; L247-F250 CarbonylContact O-C 3.54Å; L247-F250 PolarHBondContact O-N 3.47Å; L247-K251 PolarHBondContact O-N 3.19Å |
| 248 | K | 95.3 | Very high | 86.4 | Confident | 132 Ų | 132 | 76 Ų | 76 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.6 | -35.1 | 177.3 | -166 | 176.9 | -178.7 | -179.9 | 0 | 112 | Y244 P245 I246 F250 K251 | Y244-K248 PolarHBondContact O-N 3.29Å; P245-K248 PolarHBondContact O-N 3.2Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.26Å; K248-F250 PolarHBondContact O-N 2.81Å; K248-K251 WeakPolarHBondContact O-CB 3.28Å; K248-K251 PolarHBondContact O-N 3.24Å |
| 249 | N | 95.5 | Very high | 84.4 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.9 | -19.7 | 176.4 | -64.4 | -19.8 | 0 | 0 | 0 | 113.3 | P245 I246 L247 | P245-N249 PolarHBondContact O-N 3.4Å; I246-N249 WeakPolarHBondContact O-CB 3.21Å; I246-N249 PolarHBondContact O-N 2.79Å; I246-N249 VanDerWaalsContact O-N 3.12Å; L247-N249 PolarHBondContact O-N 3.17Å |
| 250 | F | 95.9 | Very high | 82 | Confident | 38 Ų | 38 | 82.8 Ų | 82.8 | 17% | 0.167 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 18.5 | 178 | -61.2 | -79.5 | 0 | 0 | 0 | 112.9 | I183 R184 G187 L188 S191 I246 L247 K248 K252 | I183-F250 HydrophobicContact CG2-CB 4.08Å; R184-F250 PolarHBondContact N-O 3.2Å; G187-F250 VanDerWaalsContact O-CE1 3.23Å; G187-F250 WeakPolarHBondContact O-CE1 3.41Å; L188-F250 HydrophobicContact CB-CD1 4.39Å; L188-F250 HydrophobicContact CB-CD2 4.11Å; L188-F250 HydrophobicContact CB-CE2 4.45Å; L188-F250 HydrophobicContact CB-CG 4.1Å; L188-F250 HydrophobicContact CD1-CD2 3.65Å; L188-F250 HydrophobicContact CD1-CE2 3.65Å; L188-F250 HydrophobicContact CD1-CG 4.48Å; L188-F250 HydrophobicContact CD1-CZ 4.47Å; L188-F250 HydrophobicContact CG-CD2 4.43Å; S191-F250 VanDerWaalsContact CB-CZ 3.49Å; I246-F250 HydrophobicContact CG2-CD2 4.37Å; I246-F250 HydrophobicContact CG2-CE2 4.01Å; I246-F250 WeakPolarHBondContact O-CD2 3.41Å; L247-F250 CarbonylContact O-C 3.54Å; L247-F250 PolarHBondContact O-N 3.47Å; K248-F250 PolarHBondContact O-N 2.81Å; F250-K252 PolarHBondContact O-N 3.3Å |
| 251 | K | 95.9 | Very high | 79.4 | Confident | 116 Ų | 116 | 88.4 Ų | 88.4 | 50% | 0.504 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -58.9 | 124.4 | 172.3 | 178.1 | 172.7 | 177.2 | -178.5 | 0 | 109.6 | F181 H182 L247 K248 S253 | F181-K251 HydrophobicContact CB-CD 3.93Å; F181-K251 HydrophobicContact CB-CG 4.01Å; F181-K251 HydrophobicContact CD1-CD 4.46Å; F181-K251 HydrophobicContact CD2-CB 3.8Å; F181-K251 HydrophobicContact CD2-CD 4.16Å; F181-K251 HydrophobicContact CD2-CG 3.76Å; F181-K251 HydrophobicContact CE2-CB 4.07Å; F181-K251 HydrophobicContact CE2-CG 4.49Å; F181-K251 HydrophobicContact CG-CB 4.45Å; F181-K251 HydrophobicContact CG-CD 3.94Å; F181-K251 HydrophobicContact CG-CG 4Å; H182-K251 WeakPolarHBondContact O-CA 3.2Å; L247-K251 PolarHBondContact O-N 3.19Å; K248-K251 WeakPolarHBondContact O-CB 3.28Å; K248-K251 PolarHBondContact O-N 3.24Å; K251-S253 PolarHBondContact O-N 2.95Å |
| 252 | K | 91.2 | Very high | 77 | Confident | 53 Ų | 53 | 89.5 Ų | 89.5 | 23% | 0.23 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 131.7 | 170.8 | -65.9 | -173 | -179.8 | -177.9 | 0 | 108.3 | H182 I183 R184 F250 | H182-K252 HydrophobicContact CB-CB 4.13Å; H182-K252 HydrophobicContact CB-CD 4.08Å; H182-K252 HydrophobicContact CB-CG 4.28Å; H182-K252 PolarHBondContact O-N 2.94Å; I183-K252 WeakPolarHBondContact O-CE 3.41Å; R184-K252 HydrophobicContact CB-CG 4.05Å; F250-K252 PolarHBondContact O-N 3.3Å |
| 253 | S | 82.7 | Confident | 74.6 | Confident | 71 Ų | 71 | 91 Ų | 91 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.6 | 167.5 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | K251 K255 D256 | K251-S253 PolarHBondContact O-N 2.95Å; S253-K255 PolarHBondContact O-N 3.12Å; S253-D256 PolarHBondContact O-N 2.73Å |
| 254 | D | 70.2 | Confident | 72.1 | Confident | 151 Ų | 151 | 96.3 Ų | 96.3 | 81% | 0.807 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -1.2 | 175.4 | -62.3 | -40.6 | 0 | 0 | 0 | 112.9 | ||
| 255 | K | 57.7 | Low | 69.6 | Low | 189 Ų | 189 | 102.2 Ų | 102.2 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 8.1 | 177.1 | -61.3 | -172.2 | 178.1 | -176.3 | 0 | 114.2 | S253 P257 | S253-K255 PolarHBondContact O-N 3.12Å; K255-P257 WeakPolarHBondContact O-CD 3.46Å |
| 256 | D | 55 | Low | 67.2 | Low | 32 Ų | 32 | 109.5 Ų | 109.5 | 17% | 0.171 | 58% | 0.583 | C | S | . | * | trans | -75.2 | 110.9 | 174.8 | -163.2 | -26.2 | 0 | 0 | 0 | 110.3 | S253 R258 A259 | S253-D256 PolarHBondContact O-N 2.73Å; D256-R258 PolarHBondContact O-N 3.31Å; D256-R258 IonicContact OD1-CZ 3.48Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 IonicContact OD1-NE 2.85Å; D256-R258 PolarHBondContact OD1-NE 3.04Å; D256-R258 IonicContact OD1-NH2 3.55Å; D256-R258 IonicContact OD2-CZ 2.65Å; D256-R258 IonicContact OD2-NE 3.24Å; D256-R258 IonicContact OD2-NH2 3.31Å; D256-R258 PolarHBondContact OD2-NH2 2.79Å; D256-A259 PolarHBondContact O-N 3.29Å | ||
| 257 | P | 51.2 | Low | 64.9 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65.4 | -9.4 | -173.5 | -18.8 | 32.7 | 0 | 0 | 0 | 114.6 | K255 A259 | K255-P257 WeakPolarHBondContact O-CD 3.46Å; P257-A259 VanDerWaalsContact C-N 3.33Å; P257-A259 PolarHBondContact O-N 2.77Å |
| 258 | R | 57.8 | Low | 63.1 | Low | 183 Ų | 183 | 124.8 Ų | 124.8 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -83.4 | -3.9 | -175.7 | -66 | 174.7 | -68.6 | 170.9 | 1.3 | 114.3 | D256 | D256-R258 PolarHBondContact O-N 3.31Å; D256-R258 IonicContact OD1-CZ 3.48Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 IonicContact OD1-NE 2.85Å; D256-R258 PolarHBondContact OD1-NE 3.04Å; D256-R258 IonicContact OD1-NH2 3.55Å; D256-R258 IonicContact OD2-CZ 2.65Å; D256-R258 IonicContact OD2-NE 3.24Å; D256-R258 IonicContact OD2-NH2 3.31Å; D256-R258 PolarHBondContact OD2-NH2 2.79Å |
| 259 | A | 54.6 | Low | 61.1 | Low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -83.4 | -7.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D256 P257 | D256-A259 PolarHBondContact O-N 3.29Å; P257-A259 VanDerWaalsContact C-N 3.33Å; P257-A259 PolarHBondContact O-N 2.77Å |
| 260 | L | 46.9 | Very low | 59.2 | Low | 154 Ų | 154 | 125 Ų | 125 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -106.2 | -2.4 | -175.4 | -73.3 | 163 | 0 | 0 | 0 | 114.3 | S262 | L260-S262 PolarHBondContact O-N 2.99Š|
| 261 | T | 44.2 | Very low | 57.6 | Low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 63.8 | -175.9 | 61.9 | 0 | 0 | 0 | 0 | 112 | ||
| 262 | S | 45.5 | Very low | 55.7 | Low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.2 | 11.1 | 164 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | L260 | L260-S262 PolarHBondContact O-N 2.99Š|
| 263 | S | 46 | Very low | 53.8 | Low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -149.8 | 47.1 | -173.6 | -41.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 264 | S | 43.5 | Very low | 52.2 | Low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -163.4 | 90.2 | 160.3 | -157.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 265 | N | 44.3 | Very low | 51.1 | Low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -133.6 | 62.6 | 166.2 | -101.4 | -17.2 | 0 | 0 | 0 | 107.6 | ||||
| 266 | Y | 45.3 | Very low | 50.7 | Low | 223 Ų | 223 | 138.3 Ų | 138.3 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -158.1 | 102.5 | 162.6 | -77.9 | -71.6 | 0 | 0 | 0 | 108.2 | ||||
| 267 | M | 48.5 | Very low | 50.5 | Low | 186 Ų | 186 | 145.4 Ų | 145.4 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | 168.4 | 99 | 140 | -90.7 | -83.5 | 151.1 | 0 | 0 | 108.9 | ||||
| 268 | H | 57.4 | Low | 50.4 | Low | 174 Ų | 174 | 148.6 Ų | 148.6 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.5 | 160.9 | -106 | -85.9 | 0 | 0 | 0 | 109.6 | ||
| 269 | P | 54 | Low | 49.8 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87 | 124.6 | 160 | 28.3 | -18.5 | 0 | 0 | 0 | 109.2 | ||
| 270 | L | 55.7 | Low | 49.4 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 80% | 0.801 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 127.8 | 161.1 | -79 | 170.2 | 0 | 0 | 0 | 108 | ||
| 271 | T | 61.9 | Low | 49.7 | Very low | 205 Ų | 205 | 150.5 Ų | 150.5 | 100% | 1.258 | 84% | 0.839 | S | S | * | * | trans | 31 | 0 | 145.5 | 54.4 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 271 of 271 residues in 68.2 ms
(Link to these results)