| 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 | 34.8 | Very low | 33.6 | Very low | 253 Ų | 253 | 138.9 Ų | 138.9 | 100% | 1.246 | 82% | 0.824 | S | S | * | * | 0 | 122.7 | 0 | -57.9 | 170.6 | -178.2 | 0 | 0 | 106.4 | |||||
| 2 | G | 35.5 | Very low | 33 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | cis | -161.2 | 161.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | N | 33.4 | Very low | 32.8 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -71.5 | 166.2 | 176.4 | -58.3 | -7.9 | 0 | 0 | 0 | 111.5 | ||||
| 4 | T | 37.2 | Very low | 32.6 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 91% | 0.914 | 83% | 0.834 | S | S | * | * | -163.4 | 163.1 | 116.6 | 28.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 5 | S | 38.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -122.9 | -162.8 | -164.6 | -44.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 6 | S | 38.5 | Very low | 32 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | trans | 81.8 | 151 | 163 | -77.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 7 | E | 32.7 | Very low | 31.9 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 63% | 0.631 | 83% | 0.83 | S | S | * | * | cis | -165.2 | 138.5 | -18.9 | -114 | 176.8 | 118.2 | 0 | 0 | 107.7 | ||||
| 8 | R | 31.3 | Very low | 31.8 | Very low | 219 Ų | 219 | 149.8 Ų | 149.8 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | 75.4 | 112.2 | 92.6 | -167.4 | -170.4 | -157.2 | 159.5 | 3 | 117.9 | |||||
| 9 | A | 30.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -166.3 | 143.2 | 146 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 10 | G | 27.9 | Very low | 31.5 | Very low | 67 Ų | 67 | 153 Ų | 153 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | cis | 127.7 | 94.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 11 | L | 29.3 | Very low | 31.4 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | trans | -176.8 | 121.3 | 155.9 | -105.5 | 152.5 | 0 | 0 | 0 | 112.4 | ||||
| 12 | E | 26.4 | Very low | 31.2 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -91.3 | 161.8 | 165.6 | -62.6 | -177.4 | 116.5 | 0 | 0 | 111.4 | ||||
| 13 | R | 30.3 | Very low | 30.8 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -160.4 | 145.1 | 140.4 | -109.4 | 168 | -160.9 | -130.4 | 3 | 112.6 | ||||
| 14 | H | 29.7 | Very low | 30.7 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -60 | 162.4 | 176.6 | -56.7 | -29.5 | 0 | 0 | 0 | 113.1 | ||||
| 15 | G | 26.6 | Very low | 30.3 | Very low | 58 Ų | 58 | 144.3 Ų | 144.3 | 60% | 0.598 | 81% | 0.812 | S | S | * | * | cis | 137.5 | 161.2 | 4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 16 | H | 29.5 | Very low | 29.7 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -175.3 | 156.5 | 154.8 | -100.2 | -67.8 | 0 | 0 | 0 | 113.1 | ||||
| 17 | K | 30.2 | Very low | 29.3 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -84.4 | 172.4 | -178.6 | -59.5 | 168.7 | 174.1 | 172 | 0 | 111.2 | ||||
| 18 | A | 29.9 | Very low | 29.2 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | cis | -145.1 | -154.5 | 12.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | S | 30.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | cis | -159.8 | 129.1 | 2.3 | 39.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 20 | R | 28.1 | Very low | 29 | Very low | 258 Ų | 258 | 138.2 Ų | 138.2 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | 54.3 | 120.8 | 105.7 | -95.7 | -173.3 | 171.5 | 166.8 | -2.4 | 118.5 | |||||
| 21 | G | 28.5 | Very low | 29.2 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 165.9 | 72.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 22 | D | 29.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 148.2 | 166.1 | -91.7 | -51 | 0 | 0 | 0 | 111.3 | ||||
| 23 | N | 28.2 | Very low | 29.4 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -158.6 | 149.4 | 133.8 | -156.5 | 51.6 | 0 | 0 | 0 | 112.7 | ||||
| 24 | S | 31 | Very low | 29.4 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -129.8 | 159.7 | -167.8 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 25 | G | 28.4 | Very low | 29.7 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 88.3 | 149.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 26 | G | 27 | Very low | 30.6 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 145.1 | 145.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 27 | A | 28.6 | Very low | 30.8 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 76.3 | 151.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 28 | I | 31.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | cis | -165.2 | 159.3 | -7.5 | -116.8 | 169.9 | 0 | 0 | 0 | 110.8 | ||||
| 29 | S | 28.8 | Very low | 31.8 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 67.7 | 153.1 | 160.6 | -81.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 30 | T | 29.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | cis | -157.1 | 153.1 | 7.7 | -2.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 31 | K | 31 | Very low | 33.1 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | 37.7 | 153.2 | 141.9 | -72.7 | 173.4 | 161 | -117.8 | 0 | 120.6 | ||||
| 32 | E | 28.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -155.9 | 153.8 | -2.6 | -116.4 | 152 | -179 | 0 | 0 | 103.9 | ||||
| 33 | G | 31.5 | Very low | 34.4 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | 114.9 | 112.7 | 63.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 34 | D | 31.1 | Very low | 35.3 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | 82.5 | 137.6 | 162.7 | -120.7 | 12.1 | 0 | 0 | 0 | 123 | ||||
| 35 | R | 34.4 | Very low | 35.6 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -130.7 | 176.1 | 170.3 | -74.8 | -177 | 177.2 | -173.3 | -0.5 | 106 | ||||
| 36 | P | 46.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | cis | -124.3 | 169.2 | -36.9 | 35.8 | -22.3 | 0 | 0 | 0 | 111 | ||||
| 37 | K | 33.7 | Very low | 37.1 | Very low | 213 Ų | 213 | 144.2 Ų | 144.2 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -138.1 | 119.1 | 144.7 | -74.7 | -164.6 | 178.5 | 177 | 0 | 110.6 | ||||
| 38 | I | 44.1 | Very low | 37.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 122.1 | 168.4 | -62.3 | 165.2 | 0 | 0 | 0 | 106.5 | ||||
| 39 | L | 37.8 | Very low | 37.8 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -137.7 | 125.7 | 151.8 | -154 | 81.5 | 0 | 0 | 0 | 107 | ||||
| 40 | M | 48.2 | Very low | 38.1 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -113.4 | 101.3 | -177.8 | 171.9 | 175.1 | 165.3 | 0 | 0 | 106.5 | ||||
| 41 | D | 37.3 | Very low | 38.3 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -164 | 102.4 | 169.3 | -119.4 | -14 | 0 | 0 | 0 | 110.5 | ||||
| 42 | S | 35.4 | Very low | 38.4 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | 165.9 | 130.6 | 140.6 | -103.1 | 0 | 0 | 0 | 0 | 110.4 | E44 | S42-E44 PolarHBondContact O-N 2.87Š| ||
| 43 | P | 51.1 | Low | 38.9 | Very low | 128 Ų | 128 | 155.2 Ų | 155.2 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -101.1 | 53.1 | -176.2 | 40.3 | -35.3 | 0 | 0 | 0 | 112.9 | ||||
| 44 | E | 45.6 | Very low | 39.3 | Very low | 167 Ų | 167 | 160.2 Ų | 160.2 | 78% | 0.78 | 83% | 0.829 | S | S | * | * | trans | -135.9 | 81.1 | -176.8 | -34.3 | -167.3 | -179.8 | 0 | 0 | 111.6 | S42 | S42-E44 PolarHBondContact O-N 2.87Š| ||
| 45 | D | 38.2 | Very low | 39.7 | Very low | 155 Ų | 155 | 160.5 Ų | 160.5 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -161.4 | 79.8 | 164.8 | -110 | -25.7 | 0 | 0 | 0 | 108.9 | ||||
| 46 | A | 42 | Very low | 40.3 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -113.9 | 2.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 47 | D | 43.9 | Very low | 40.4 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -122.3 | 59.2 | -170.3 | -73.6 | -51.7 | 0 | 0 | 0 | 112.7 | ||||
| 48 | L | 40.3 | Very low | 41.3 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -126.9 | 32.7 | -179.8 | -116.2 | 167.4 | 0 | 0 | 0 | 114.8 | ||||
| 49 | F | 34.2 | Very low | 41.7 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | trans | -138.8 | 86.2 | 163.9 | -75.4 | -76 | 0 | 0 | 0 | 111.4 | S51 | F49-S51 PolarHBondContact O-N 3.01Š| ||
| 50 | H | 36.8 | Very low | 42.5 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | -70.5 | 107.7 | 161.9 | -74.5 | -59.1 | 0 | 0 | 0 | 109.3 | E52 | H50-E52 PolarHBondContact O-N 2.88Š| ||
| 51 | S | 33.2 | Very low | 42.8 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -75.1 | 115.1 | 171.5 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | F49 E53 | F49-S51 PolarHBondContact O-N 3.01Å; S51-E53 PolarHBondContact O-N 3.07Å | ||
| 52 | E | 33.1 | Very low | 43.5 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -74 | 116 | 162 | -73.5 | -169.1 | 128.6 | 0 | 0 | 109.3 | H50 M54 | H50-E52 PolarHBondContact O-N 2.88Å; E52-M54 PolarHBondContact O-N 3.39Å | ||
| 53 | E | 38.8 | Very low | 44.1 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -70.9 | 87.4 | 178.7 | -70.9 | -173.6 | 124.9 | 0 | 0 | 112.1 | S51 K55 | S51-E53 PolarHBondContact O-N 3.07Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 PolarHBondContact O-N 2.78Å | ||
| 54 | M | 40.2 | Very low | 44.3 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 86% | 0.862 | 72% | 0.715 | S | S | * | * | trans | -79.2 | 76.8 | 164.2 | -77.4 | -163.6 | 162.3 | 0 | 0 | 111.9 | E52 A56 | E52-M54 PolarHBondContact O-N 3.39Å; M54-A56 PolarHBondContact O-N 2.73Å | ||
| 55 | K | 39.8 | Very low | 44.6 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | 23.5 | 80.7 | 147.5 | -160.1 | -178.9 | -174.5 | -173.6 | 0 | 117.3 | E53 P57 | E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 PolarHBondContact O-N 2.78Å; K55-P57 HydrophobicContact CG-CG 4.27Å; K55-P57 VanDerWaalsContact O-CD 3.3Å; K55-P57 WeakPolarHBondContact O-CD 3.28Å | ||
| 56 | A | 45.8 | Very low | 45.4 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 65% | 0.653 | 69% | 0.691 | S | S | * | * | trans | -103.6 | 56 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | M54 | M54-A56 PolarHBondContact O-N 2.73Š| ||
| 57 | P | 49.2 | Very low | 45.8 | Very low | 57 Ų | 57 | 137 Ų | 137 | 37% | 0.37 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -80.9 | -43.3 | 159.5 | -13.6 | 29.6 | 0 | 0 | 0 | 112.7 | K55 E59 K60 E61 | K55-P57 HydrophobicContact CG-CG 4.27Å; K55-P57 VanDerWaalsContact O-CD 3.3Å; K55-P57 WeakPolarHBondContact O-CD 3.28Å; P57-E59 PolarHBondContact O-N 2.86Å; P57-K60 PolarHBondContact O-N 3.08Å; P57-E61 PolarHBondContact O-N 2.85Å |
| 58 | L | 53.1 | Low | 45.8 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 58% | 0.576 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.4 | -46.8 | -162.5 | -74.1 | 164.5 | 0 | 0 | 0 | 113.8 | K60 E61 E62 | L58-K60 PolarHBondContact O-N 3.25Å; L58-E61 PolarHBondContact O-N 2.88Å; L58-E62 WeakPolarHBondContact O-CB 3.28Å; L58-E62 WeakPolarHBondContact O-CG 3.41Å; L58-E62 PolarHBondContact O-N 2.98Å |
| 59 | E | 52.8 | Low | 45.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.1 | -28.7 | 180 | -66.8 | -175.1 | 154.1 | 0 | 0 | 112.8 | P57 F63 | P57-E59 PolarHBondContact O-N 2.86Å; E59-F63 VanDerWaalsContact O-CB 3.29Å; E59-F63 WeakPolarHBondContact O-CB 3.38Å; E59-F63 PolarHBondContact O-N 2.85Å |
| 60 | K | 52.9 | Low | 46.6 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.4 | -36.3 | 177.7 | -167.6 | 176.4 | -178.3 | -179.6 | 0 | 111.5 | P57 L58 L64 | P57-K60 PolarHBondContact O-N 3.08Å; L58-K60 PolarHBondContact O-N 3.25Å; K60-L64 WeakPolarHBondContact O-CB 3.21Å; K60-L64 WeakPolarHBondContact O-CD1 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.06Å |
| 61 | E | 54.5 | Low | 47.1 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.6 | -37.6 | 171.2 | -71.3 | 172 | 149.7 | 0 | 0 | 111.2 | P57 L58 L64 A65 | P57-E61 PolarHBondContact O-N 2.85Å; L58-E61 PolarHBondContact O-N 2.88Å; E61-L64 PolarHBondContact O-N 3.47Å; E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 2.85Å |
| 62 | E | 53.2 | Low | 47.6 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.4 | -46.1 | 170.6 | -75.4 | -177.4 | 167.2 | 0 | 0 | 111.5 | L58 L64 A65 W66 | L58-E62 WeakPolarHBondContact O-CB 3.28Å; L58-E62 WeakPolarHBondContact O-CG 3.41Å; L58-E62 PolarHBondContact O-N 2.98Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.94Å; E62-A65 CarbonylContact O-C 3.59Å; E62-A65 PolarHBondContact O-N 3.45Å; E62-A65 VanDerWaalsContact O-N 3.09Å; E62-W66 VanDerWaalsContact O-CD1 3.25Å; E62-W66 PolarHBondContact O-N 2.9Å |
| 63 | F | 48.4 | Very low | 48.3 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 61% | 0.605 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.1 | -38.6 | 176.9 | -170.9 | -90.4 | 0 | 0 | 0 | 112.4 | E59 Q67 | E59-F63 VanDerWaalsContact O-CB 3.29Å; E59-F63 WeakPolarHBondContact O-CB 3.38Å; E59-F63 PolarHBondContact O-N 2.85Å; F63-Q67 PolarHBondContact O-N 2.87Å; F63-Q67 VanDerWaalsContact O-N 3.16Å |
| 64 | L | 54.6 | Low | 48.5 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.5 | -36.2 | 173.3 | -71.6 | 167.6 | 0 | 0 | 0 | 112.3 | K60 E61 E62 Q67 Q68 | K60-L64 WeakPolarHBondContact O-CB 3.21Å; K60-L64 WeakPolarHBondContact O-CD1 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.06Å; E61-L64 PolarHBondContact O-N 3.47Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.94Å; L64-Q67 PolarHBondContact O-N 2.85Å; L64-Q68 VanDerWaalsContact O-CB 3.26Å; L64-Q68 WeakPolarHBondContact O-CB 3.45Å; L64-Q68 PolarHBondContact O-N 3.19Å |
| 65 | A | 52.8 | Low | 48.6 | Very low | 42 Ų | 42 | 124.8 Ų | 124.8 | 35% | 0.347 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E61 E62 Q68 D69 | E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 2.85Å; E62-A65 CarbonylContact O-C 3.59Å; E62-A65 PolarHBondContact O-N 3.45Å; E62-A65 VanDerWaalsContact O-N 3.09Å; A65-Q68 CarbonylContact O-C 3.56Å; A65-Q68 PolarHBondContact O-N 3.33Å; A65-D69 WeakPolarHBondContact O-CB 3.43Å; A65-D69 PolarHBondContact O-N 2.64Å |
| 66 | W | 54.2 | Low | 48.9 | Very low | 198 Ų | 198 | 119.9 Ų | 119.9 | 75% | 0.75 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66 | -35.1 | 173.5 | -84.6 | 77.1 | 0 | 0 | 0 | 112.7 | E62 L70 | E62-W66 VanDerWaalsContact O-CD1 3.25Å; E62-W66 PolarHBondContact O-N 2.9Å; W66-L70 WeakPolarHBondContact O-CG 3.36Å; W66-L70 PolarHBondContact O-N 2.83Å |
| 67 | Q | 50.5 | Low | 49.3 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 48% | 0.481 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67 | -41.9 | 169.1 | -75.1 | -170.2 | -56.4 | 0 | 0 | 111.5 | F63 L64 L70 E71 | F63-Q67 PolarHBondContact O-N 2.87Å; F63-Q67 VanDerWaalsContact O-N 3.16Å; L64-Q67 PolarHBondContact O-N 2.85Å; Q67-L70 PolarHBondContact O-N 3.02Å; Q67-E71 PolarHBondContact O-N 3.04Å; Q67-E71 VanDerWaalsContact O-N 3.15Å |
| 68 | Q | 43.7 | Very low | 49.9 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.5 | -29.3 | -176.7 | -165.8 | 150.5 | 42.6 | 0 | 0 | 112.8 | L64 A65 L70 E71 V72 | L64-Q68 VanDerWaalsContact O-CB 3.26Å; L64-Q68 WeakPolarHBondContact O-CB 3.45Å; L64-Q68 PolarHBondContact O-N 3.19Å; A65-Q68 CarbonylContact O-C 3.56Å; A65-Q68 PolarHBondContact O-N 3.33Å; Q68-L70 VanDerWaalsContact C-N 3.34Å; Q68-E71 CarbonylContact O-C 3.46Å; Q68-E71 WeakPolarHBondContact O-CA 3.48Å; Q68-E71 PolarHBondContact O-N 2.84Å; Q68-E71 VanDerWaalsContact O-N 3.1Å; Q68-V72 PolarHBondContact O-N 2.85Å |
| 69 | D | 43.3 | Very low | 51.1 | Low | 120 Ų | 120 | 124 Ų | 124 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.1 | -28.1 | 171.4 | -81.6 | -14 | 0 | 0 | 0 | 112.3 | A65 E71 | A65-D69 WeakPolarHBondContact O-CB 3.43Å; A65-D69 PolarHBondContact O-N 2.64Å; D69-E71 VanDerWaalsContact C-N 3.32Å |
| 70 | L | 48.7 | Very low | 52.7 | Low | 155 Ų | 155 | 119.2 Ų | 119.2 | 81% | 0.812 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.6 | -19.7 | 167.6 | -70.6 | 169.9 | 0 | 0 | 0 | 112.8 | W66 Q67 Q68 | W66-L70 WeakPolarHBondContact O-CG 3.36Å; W66-L70 PolarHBondContact O-N 2.83Å; Q67-L70 PolarHBondContact O-N 3.02Å; Q68-L70 VanDerWaalsContact C-N 3.34Å |
| 71 | E | 47.4 | Very low | 54.5 | Low | 161 Ų | 161 | 114.3 Ų | 114.3 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 12 | 174.4 | -66.3 | -172.1 | 171.2 | 0 | 0 | 113.1 | Q67 Q68 D69 S73 | Q67-E71 PolarHBondContact O-N 3.04Å; Q67-E71 VanDerWaalsContact O-N 3.15Å; Q68-E71 CarbonylContact O-C 3.46Å; Q68-E71 WeakPolarHBondContact O-CA 3.48Å; Q68-E71 PolarHBondContact O-N 2.84Å; Q68-E71 VanDerWaalsContact O-N 3.1Å; D69-E71 VanDerWaalsContact C-N 3.32Å; E71-S73 PolarHBondContact O-N 2.81Å |
| 72 | V | 42.6 | Very low | 56.4 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -63 | 103 | 171.9 | 164.5 | 0 | 0 | 0 | 0 | 108.5 | Q68 D74 | Q68-V72 PolarHBondContact O-N 2.85Å; V72-D74 VanDerWaalsContact C-N 3.25Å; V72-D74 PolarHBondContact O-N 2.66Å |
| 73 | S | 47.8 | Very low | 58.5 | Low | 97 Ų | 97 | 107.1 Ų | 107.1 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | trans | -5.7 | 71.7 | 165.2 | 173.3 | 0 | 0 | 0 | 0 | 115.2 | E71 K75 | E71-S73 PolarHBondContact O-N 2.81Å; S73-K75 VanDerWaalsContact C-N 3.25Å; S73-K75 PolarHBondContact O-N 2.9Å | ||
| 74 | D | 42.8 | Very low | 60.8 | Low | 129 Ų | 129 | 104.8 Ų | 104.8 | 69% | 0.69 | 56% | 0.559 | S | S | * | * | trans | -75.6 | 90.3 | 172.4 | -133.7 | -0.9 | 0 | 0 | 0 | 106.6 | V72 T76 | V72-D74 VanDerWaalsContact C-N 3.25Å; V72-D74 PolarHBondContact O-N 2.66Å; D74-T76 HydrophobicContact CB-CG2 4.29Å; D74-T76 VanDerWaalsContact CG-CG2 3.47Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-T76 PolarHBondContact O-OG1 2.8Å; D74-T76 VanDerWaalsContact OD2-CG2 3.22Å; D74-T76 WeakPolarHBondContact OD2-CG2 3.44Å | ||
| 75 | K | 43.7 | Very low | 62.8 | Low | 194 Ų | 194 | 100.7 Ų | 100.7 | 84% | 0.843 | 54% | 0.537 | S | S | * | . | trans | -69.5 | 54 | 150.8 | -68.9 | -176.4 | -179.5 | 176.6 | 0 | 108 | S73 | S73-K75 VanDerWaalsContact C-N 3.25Å; S73-K75 PolarHBondContact O-N 2.9Å | ||
| 76 | T | 46 | Very low | 64.9 | Low | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | trans | -55.5 | 134 | 163.8 | 22.7 | 0 | 0 | 0 | 0 | 106.6 | D74 T78 | D74-T76 HydrophobicContact CB-CG2 4.29Å; D74-T76 VanDerWaalsContact CG-CG2 3.47Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-T76 PolarHBondContact O-OG1 2.8Å; D74-T76 VanDerWaalsContact OD2-CG2 3.22Å; D74-T76 WeakPolarHBondContact OD2-CG2 3.44Å; T76-T78 PolarHBondContact O-N 3.42Å | ||
| 77 | P | 54.2 | Low | 66.9 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 77% | 0.766 | 51% | 0.514 | S | S | * | . | trans | -55.8 | 127.5 | 165.9 | 26 | -32.6 | 0 | 0 | 0 | 106.6 | Q79 | P77-Q79 WeakPolarHBondContact O-CA 3.3Å; P77-Q79 PolarHBondContact O-N 3.39Å | ||
| 78 | T | 61.7 | Low | 69 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | trans | -45.6 | 104.6 | -169.4 | -44.1 | 0 | 0 | 0 | 0 | 109.8 | T76 A80 P122 | T76-T78 PolarHBondContact O-N 3.42Å; T78-A80 PolarHBondContact O-N 2.98Å; T78-P122 HydrophobicContact CG2-CB 3.54Å | ||
| 79 | Q | 77.8 | Confident | 71.2 | Confident | 120 Ų | 120 | 89.9 Ų | 89.9 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | trans | -64.8 | 117.1 | -160.6 | -169.8 | -178.9 | 21.4 | 0 | 0 | 108 | P77 R81 | P77-Q79 WeakPolarHBondContact O-CA 3.3Å; P77-Q79 PolarHBondContact O-N 3.39Å; Q79-R81 WeakPolarHBondContact O-CG 3.36Å; Q79-R81 PolarHBondContact O-N 3.4Å | ||
| 80 | A | 86.5 | Confident | 73.5 | Confident | 53 Ų | 53 | 87.1 Ų | 87.1 | 44% | 0.438 | 49% | 0.493 | S | S | . | . | trans | -71.6 | 130.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | T78 D120 L121 | T78-A80 PolarHBondContact O-N 2.98Å; A80-D120 HydrophobicContact CB-CB 3.73Å; A80-L121 WeakPolarHBondContact CA-O 3.4Å | ||
| 81 | R | 89.4 | Confident | 75.4 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 18% | 0.181 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.6 | -173.4 | -60.4 | -179.9 | 179.4 | -161 | -4.2 | 111 | Q79 T83 D120 L121 E123 K160 F163 | Q79-R81 WeakPolarHBondContact O-CG 3.36Å; Q79-R81 PolarHBondContact O-N 3.4Å; R81-T83 PolarHBondContact O-N 3.4Å; R81-T83 VanDerWaalsContact O-N 3.12Å; R81-T83 PolarHBondContact O-OG1 2.97Å; R81-D120 WeakPolarHBondContact O-CA 3.48Å; R81-L121 PolarHBondContact N-O 2.85Å; R81-L121 PolarHBondContact O-N 3.16Å; R81-E123 IonicContact CZ-OE1 3.91Å; R81-E123 IonicContact NH2-OE1 3.88Å; R81-K160 PolarHBondContact NH1-O 3.06Å; R81-F163 HydrophobicContact CB-CD1 3.79Å; R81-F163 HydrophobicContact CB-CD2 4.35Å; R81-F163 HydrophobicContact CB-CE1 3.3Å; R81-F163 HydrophobicContact CB-CE2 3.9Å; R81-F163 HydrophobicContact CB-CG 4.29Å; R81-F163 HydrophobicContact CB-CZ 3.34Å; R81-F163 VanDerWaalsContact CD-CE2 3.46Å; R81-F163 HydrophobicContact CG-CD1 4.42Å; R81-F163 HydrophobicContact CG-CD2 4.49Å; R81-F163 HydrophobicContact CG-CE1 4.32Å; R81-F163 HydrophobicContact CG-CE2 4.34Å; R81-F163 HydrophobicContact CG-CZ 4.26Å; R81-F163 VanDerWaalsContact NH1-CD2 3.27Å |
| 82 | P | 95.8 | Very high | 77.5 | Confident | 75 Ų | 75 | 81 Ų | 81 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 113 | -167.1 | 24.5 | -35 | 0 | 0 | 0 | 112 | I118 D120 | P82-I118 HydrophobicContact CB-CG2 3.82Å; P82-D120 WeakPolarHBondContact CA-OD1 3.42Å; P82-D120 WeakPolarHBondContact CB-OD1 3.36Å |
| 83 | T | 96.4 | Very high | 80 | Confident | 9 Ų | 9 | 82.3 Ų | 82.3 | 6% | 0.055 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.4 | 179.5 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | R81 F85 I118 L119 L121 I156 V158 | R81-T83 PolarHBondContact O-N 3.4Å; R81-T83 VanDerWaalsContact O-N 3.12Å; R81-T83 PolarHBondContact O-OG1 2.97Å; T83-F85 HydrophobicContact CG2-CE2 3.9Å; T83-F85 HydrophobicContact CG2-CZ 4.11Å; T83-I118 WeakPolarHBondContact O-CA 3.25Å; T83-L119 WeakPolarHBondContact CB-O 3.06Å; T83-L119 PolarHBondContact N-O 2.84Å; T83-L119 PolarHBondContact O-N 3.05Å; T83-L121 HydrophobicContact CG2-CD1 4.18Å; T83-I156 HydrophobicContact CG2-CD1 3.69Å; T83-V158 HydrophobicContact CG2-CG2 4.3Å |
| 84 | V | 96.5 | Very high | 82.3 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 54% | 0.539 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.5 | -176.1 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | V116 I118 | V84-V116 HydrophobicContact CG1-CG1 4Å; V84-I118 HydrophobicContact CG2-CG1 4.27Å |
| 85 | F | 97.1 | Very high | 84.9 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 1% | 0.013 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.5 | 168.5 | -67.8 | -86.1 | 0 | 0 | 0 | 109.4 | T83 L96 F100 V116 A117 L119 L121 Y128 I156 | T83-F85 HydrophobicContact CG2-CE2 3.9Å; T83-F85 HydrophobicContact CG2-CZ 4.11Å; F85-L96 HydrophobicContact CB-CD2 3.59Å; F85-L96 HydrophobicContact CD1-CD1 4.06Å; F85-L96 HydrophobicContact CD1-CD2 3.93Å; F85-L96 HydrophobicContact CD2-CD2 3.7Å; F85-L96 HydrophobicContact CE2-CD2 4.39Å; F85-L96 HydrophobicContact CG-CD1 4.36Å; F85-L96 HydrophobicContact CG-CD2 3.44Å; F85-L96 VanDerWaalsContact CG-CD2 3.44Å; F85-F100 HydrophobicContact CE1-CE1 4.4Å; F85-F100 HydrophobicContact CE2-CE1 4.34Å; F85-F100 HydrophobicContact CE2-CZ 4.34Å; F85-F100 AromaticContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CZ 4.17Å; F85-V116 VanDerWaalsContact O-CA 3.32Å; F85-V116 WeakPolarHBondContact O-CA 3.36Å; F85-A117 PolarHBondContact N-O 2.92Å; F85-A117 PolarHBondContact O-N 3.46Å; F85-L119 HydrophobicContact CD2-CB 4.49Å; F85-L119 HydrophobicContact CD2-CD1 4.18Å; F85-L119 HydrophobicContact CD2-CG 4.44Å; F85-L119 HydrophobicContact CE2-CB 4.37Å; F85-L119 HydrophobicContact CE2-CD1 4.27Å; F85-L121 HydrophobicContact CE2-CD1 3.71Å; F85-L121 HydrophobicContact CE2-CG 4.45Å; F85-L121 HydrophobicContact CZ-CD1 3.62Å; F85-Y128 HydrophobicContact CD1-CD1 4.41Å; F85-Y128 AromaticContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CE1 4.45Å; F85-Y128 AromaticContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CG 4.09Å; F85-Y128 AromaticContact CE1-CD1 3.67Å; F85-Y128 HydrophobicContact CE1-CD1 3.67Å; F85-Y128 AromaticContact CE1-CD2 3.86Å; F85-Y128 HydrophobicContact CE1-CD2 3.86Å; F85-Y128 AromaticContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE2 4.07Å; F85-Y128 AromaticContact CE1-CG 3.64Å; F85-Y128 HydrophobicContact CE1-CG 3.64Å; F85-I156 HydrophobicContact CE1-CG2 4.11Å; F85-I156 HydrophobicContact CZ-CG2 4.08Å |
| 86 | R | 96.4 | Very high | 87.5 | Confident | 136 Ų | 136 | 65.5 Ų | 65.5 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130 | -179.4 | 178.9 | 174.4 | 62.4 | 136.1 | -1 | 110.1 | T88 N114 F115 V116 | R86-T88 HydrophobicContact CG-CG2 4.13Å; R86-N114 HydrophobicContact CG-CB 4.26Å; R86-F115 CarbonylContact C-O 3.56Å; R86-F115 WeakPolarHBondContact CA-O 3.37Å; R86-V116 HydrophobicContact CB-CG2 4.41Å; R86-V116 HydrophobicContact CG-CG2 4.17Å |
| 87 | W | 96.4 | Very high | 90 | Very high | 23 Ų | 23 | 62 Ų | 62 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.9 | 167 | 176.7 | -106.1 | 0 | 0 | 0 | 108.7 | G89 G90 V94 L108 N114 F115 F130 V132 T137 D139 | W87-G89 PolarHBondContact NE1-O 2.81Å; W87-G90 PolarHBondContact NE1-O 3.38Å; W87-G90 VanDerWaalsContact NE1-O 3.08Å; W87-V94 HydrophobicContact CB-CG1 4.34Å; W87-V94 HydrophobicContact CG-CG1 4.19Å; W87-L108 HydrophobicContact CB-CD1 4.18Å; W87-N114 WeakPolarHBondContact O-CA 3.23Å; W87-F115 HydrophobicContact CB-CB 4.25Å; W87-F115 PolarHBondContact N-O 2.91Å; W87-F115 PolarHBondContact O-N 2.97Å; W87-F130 HydrophobicContact CB-CD1 4.18Å; W87-F130 HydrophobicContact CB-CE1 3.98Å; W87-F130 HydrophobicContact CB-CZ 4.26Å; W87-F130 HydrophobicContact CD2-CD2 4.39Å; W87-F130 HydrophobicContact CD2-CG 4.34Å; W87-F130 HydrophobicContact CE3-CB 4.26Å; W87-F130 HydrophobicContact CE3-CD1 4.43Å; W87-F130 AromaticContact CE3-CD2 3.45Å; W87-F130 HydrophobicContact CE3-CD2 3.45Å; W87-F130 VanDerWaalsContact CE3-CD2 3.45Å; W87-F130 AromaticContact CE3-CE2 3.79Å; W87-F130 HydrophobicContact CE3-CE2 3.79Å; W87-F130 AromaticContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CZ 4.42Å; W87-F130 AromaticContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CE2 4.42Å; W87-F130 HydrophobicContact CZ3-CG 4.37Å; W87-V132 HydrophobicContact CD2-CG2 4.36Å; W87-V132 HydrophobicContact CZ2-CG2 3.9Å; W87-T137 HydrophobicContact CH2-CG2 3.45Å; W87-T137 VanDerWaalsContact CH2-CG2 3.45Å; W87-T137 HydrophobicContact CZ2-CG2 3.84Å; W87-T137 HydrophobicContact CZ3-CG2 3.99Å; W87-D139 HydrophobicContact CE3-CB 4.4Å; W87-D139 HydrophobicContact CZ3-CB 4.21Å |
| 88 | T | 94.6 | Very high | 92 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | trans | -96.4 | -8.7 | -179.1 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | R86 | R86-T88 HydrophobicContact CG-CG2 4.13Š| ||
| 89 | G | 90.9 | Very high | 93.5 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 27% | 0.268 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75.9 | 171.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W87 | W87-G89 PolarHBondContact NE1-O 2.81Š|
| 90 | G | 90.1 | Very high | 94.3 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | trans | -66.6 | 168.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W87 V132 | W87-G90 PolarHBondContact NE1-O 3.38Å; W87-G90 VanDerWaalsContact NE1-O 3.08Å; G90-V132 WeakPolarHBondContact O-CG1 3.49Å | ||
| 91 | G | 90 | Very high | 94.7 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | trans | 162.5 | 163.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R110 F115 D133 | G91-R110 PolarHBondContact O-NH1 3.35Å; G91-F115 WeakPolarHBondContact O-CZ 3.25Å; G91-D133 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 92 | K | 91.1 | Very high | 94.9 | Very high | 170 Ų | 170 | 54.9 Ų | 54.9 | 74% | 0.739 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -99.4 | -52.1 | 161.6 | -64 | 178 | -178.6 | 175 | 0 | 110 | D133 | K92-D133 WeakPolarHBondContact CA-OD1 3.48Å; K92-D133 WeakPolarHBondContact CB-OD1 3.33Å; K92-D133 VanDerWaalsContact N-CG 3.32Å; K92-D133 PolarHBondContact N-OD1 3.22Å; K92-D133 PolarHBondContact N-OD2 3.12Å; K92-D133 VanDerWaalsContact N-OD2 3.07Å |
| 93 | E | 93.7 | Very high | 94.9 | Very high | 121 Ų | 121 | 56.2 Ų | 56.2 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -121.4 | 120.8 | -179.9 | -61.5 | -175.3 | 134.7 | 0 | 0 | 109.3 | Y95 D133 | E93-Y95 HydrophobicContact CB-CE2 3.95Å; E93-D133 PolarHBondContact N-OD1 2.97Å; E93-D133 PolarHBondContact O-N 2.81Å |
| 94 | V | 97.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.9 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | W87 L108 F115 F130 F131 V132 | W87-V94 HydrophobicContact CB-CG1 4.34Å; W87-V94 HydrophobicContact CG-CG1 4.19Å; V94-L108 HydrophobicContact CB-CB 4.47Å; V94-L108 HydrophobicContact CB-CD1 4.26Å; V94-L108 HydrophobicContact CG1-CD1 3.57Å; V94-L108 HydrophobicContact CG1-CG 4.17Å; V94-L108 PolarHBondContact O-N 2.9Å; V94-F115 HydrophobicContact CB-CB 4.23Å; V94-F115 HydrophobicContact CB-CD1 3.79Å; V94-F115 HydrophobicContact CB-CD2 4.48Å; V94-F115 HydrophobicContact CB-CE1 4.18Å; V94-F115 HydrophobicContact CB-CG 3.94Å; V94-F115 HydrophobicContact CG2-CB 4.42Å; V94-F115 HydrophobicContact CG2-CD1 3.7Å; V94-F115 HydrophobicContact CG2-CD2 3.77Å; V94-F115 HydrophobicContact CG2-CE1 3.72Å; V94-F115 HydrophobicContact CG2-CE2 3.8Å; V94-F115 HydrophobicContact CG2-CG 3.72Å; V94-F115 HydrophobicContact CG2-CZ 3.77Å; V94-F130 HydrophobicContact CG1-CD1 4.24Å; V94-F131 WeakPolarHBondContact CA-O 3.43Å; V94-V132 HydrophobicContact CG1-CG2 3.87Å; V94-V132 HydrophobicContact CG2-CG1 4.26Å; V94-V132 HydrophobicContact CG2-CG2 4.09Å |
| 95 | Y | 97.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.3 | 175.1 | -53.2 | -101.4 | 0 | 0 | 0 | 110.6 | E93 K105 I106 P107 F130 F131 | E93-Y95 HydrophobicContact CB-CE2 3.95Å; Y95-K105 HydrophobicContact CD1-CB 3.95Å; Y95-K105 HydrophobicContact CG-CB 4.19Å; Y95-K105 HydrophobicContact CG-CD 4.45Å; Y95-I106 CarbonylContact C-O 3.6Å; Y95-I106 WeakPolarHBondContact CA-O 3.42Å; Y95-I106 WeakPolarHBondContact CB-O 3.41Å; Y95-P107 HydrophobicContact CD1-CB 3.94Å; Y95-P107 HydrophobicContact CE1-CB 3.91Å; Y95-F130 CarbonylContact O-C 3.47Å; Y95-F130 WeakPolarHBondContact O-CA 3.37Å; Y95-F131 AromaticContact CD2-CD1 3.94Å; Y95-F131 HydrophobicContact CD2-CD1 3.94Å; Y95-F131 PolarHBondContact N-O 2.65Å; Y95-F131 PolarHBondContact O-N 3.3Å |
| 96 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.1 | 174.8 | 176.1 | 67.9 | 0 | 0 | 0 | 109.9 | F85 F100 I106 L108 L119 Y128 F130 | F85-L96 HydrophobicContact CB-CD2 3.59Å; F85-L96 HydrophobicContact CD1-CD1 4.06Å; F85-L96 HydrophobicContact CD1-CD2 3.93Å; F85-L96 HydrophobicContact CD2-CD2 3.7Å; F85-L96 HydrophobicContact CE2-CD2 4.39Å; F85-L96 HydrophobicContact CG-CD1 4.36Å; F85-L96 HydrophobicContact CG-CD2 3.44Å; F85-L96 VanDerWaalsContact CG-CD2 3.44Å; L96-F100 HydrophobicContact CD2-CZ 4.1Å; L96-F100 HydrophobicContact CG-CZ 4.19Å; L96-I106 PolarHBondContact N-O 3.46Å; L96-I106 PolarHBondContact O-N 3.3Å; L96-L108 HydrophobicContact CB-CD2 3.79Å; L96-L108 HydrophobicContact CB-CG 4.41Å; L96-L108 HydrophobicContact CD2-CD2 4.36Å; L96-L119 HydrophobicContact CD2-CD1 3.77Å; L96-Y128 HydrophobicContact CD1-CD2 3.7Å; L96-Y128 HydrophobicContact CD1-CG 4.26Å; L96-F130 HydrophobicContact CD1-CD1 4.19Å; L96-F130 HydrophobicContact CD1-CE1 3.92Å; L96-F130 HydrophobicContact CD1-CZ 4.43Å |
| 97 | S | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.9 | 174.8 | -63 | 0 | 0 | 0 | 0 | 109.7 | S104 Y128 K129 | S97-S104 WeakPolarHBondContact CA-O 3.22Å; S97-S104 VanDerWaalsContact CB-O 3.25Å; S97-S104 WeakPolarHBondContact CB-O 3.49Å; S97-S104 PolarHBondContact OG-O 2.95Å; S97-Y128 CarbonylContact O-C 3.06Å; S97-Y128 VanDerWaalsContact O-CA 3.25Å; S97-Y128 WeakPolarHBondContact O-CA 3.22Å; S97-K129 PolarHBondContact N-O 3.22Å; S97-K129 PolarHBondContact O-N 3.17Å |
| 98 | G | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -173.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F100 N101 N102 W103 Q127 | G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 3.22Å; G98-N101 PolarHBondContact N-OD1 2.92Å; G98-N101 PolarHBondContact O-N 3.19Å; G98-N101 PolarHBondContact O-OD1 3.21Å; G98-N102 PolarHBondContact O-N 2.84Å; G98-W103 PolarHBondContact O-N 2.97Å; G98-Q127 CarbonylContact C-O 3.52Å; G98-Q127 WeakPolarHBondContact CA-O 3.33Å |
| 99 | T | 95.2 | Very high | 95 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -60.3 | -38.1 | 179.8 | 44.9 | 0 | 0 | 0 | 0 | 112.5 | N101 W103 H126 Q127 | T99-N101 VanDerWaalsContact C-N 3.26Å; T99-N101 PolarHBondContact O-N 3.41Å; T99-W103 HydrophobicContact CG2-CZ2 4.3Å; T99-H126 WeakPolarHBondContact OG1-CA 3.32Å; T99-Q127 HydrophobicContact CG2-CB 3.96Å; T99-Q127 HydrophobicContact CG2-CG 4.47Å; T99-Q127 PolarHBondContact N-O 2.73Å; T99-Q127 PolarHBondContact OG1-N 2.6Å; T99-Q127 VanDerWaalsContact OG1-N 3.16Å; T99-Q127 PolarHBondContact OG1-O 2.98Å |
| 100 | F | 94.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 23% | 0.228 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -67.5 | -16.6 | -179.4 | 51.5 | -99.4 | 0 | 0 | 0 | 115.2 | F85 L96 G98 I106 L119 L121 H126 | F85-F100 HydrophobicContact CE1-CE1 4.4Å; F85-F100 HydrophobicContact CE2-CE1 4.34Å; F85-F100 HydrophobicContact CE2-CZ 4.34Å; F85-F100 AromaticContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CZ 4.17Å; L96-F100 HydrophobicContact CD2-CZ 4.1Å; L96-F100 HydrophobicContact CG-CZ 4.19Å; G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 3.22Å; F100-I106 HydrophobicContact CE2-CD1 4.28Å; F100-L119 HydrophobicContact CD2-CD1 4.16Å; F100-L119 HydrophobicContact CE2-CD1 3.46Å; F100-L119 VanDerWaalsContact CE2-CD1 3.46Å; F100-L119 HydrophobicContact CZ-CD1 3.97Å; F100-L121 HydrophobicContact CB-CD2 3.45Å; F100-L121 VanDerWaalsContact CB-CD2 3.45Å; F100-L121 HydrophobicContact CD1-CD1 3.87Å; F100-L121 HydrophobicContact CD1-CD2 3.78Å; F100-L121 HydrophobicContact CD2-CD2 3.96Å; F100-L121 HydrophobicContact CE1-CD1 4.21Å; F100-L121 HydrophobicContact CG-CD1 4.41Å; F100-L121 HydrophobicContact CG-CD2 3.45Å; F100-L121 VanDerWaalsContact CG-CD2 3.45Å; F100-H126 HydrophobicContact CD1-CB 4.12Å |
| 101 | N | 93.8 | Very high | 95 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 11% | 0.107 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -126.3 | 22 | -178.5 | 77.5 | -6.9 | 0 | 0 | 0 | 113.8 | G98 T99 W103 S104 I106 | G98-N101 PolarHBondContact N-OD1 2.92Å; G98-N101 PolarHBondContact O-N 3.19Å; G98-N101 PolarHBondContact O-OD1 3.21Å; T99-N101 VanDerWaalsContact C-N 3.26Å; T99-N101 PolarHBondContact O-N 3.41Å; N101-W103 PolarHBondContact O-N 2.86Å; N101-W103 WeakPolarHBondContact OD1-CA 3.49Å; N101-W103 PolarHBondContact OD1-N 2.69Å; N101-S104 PolarHBondContact ND2-O 2.95Å; N101-S104 PolarHBondContact ND2-OG 2.8Å; N101-S104 WeakPolarHBondContact O-CB 3.32Å; N101-S104 PolarHBondContact O-N 3.08Å; N101-S104 VanDerWaalsContact O-N 3.08Å; N101-S104 PolarHBondContact O-OG 2.97Å; N101-S104 PolarHBondContact OD1-N 3.33Å; N101-S104 PolarHBondContact OD1-O 2.94Å; N101-I106 HydrophobicContact CB-CD1 4.15Å; N101-I106 WeakPolarHBondContact ND2-CD1 3.17Å; N101-I106 WeakPolarHBondContact ND2-CG1 3.43Å |
| 102 | N | 94.7 | Very high | 94.8 | Very high | 153 Ų | 153 | 73.9 Ų | 73.9 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.1 | -175.7 | -61.5 | -49 | 0 | 0 | 0 | 113.2 | G98 S104 | G98-N102 PolarHBondContact O-N 2.84Å; N102-S104 PolarHBondContact O-N 3.37Å |
| 103 | W | 94.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 72.1 Ų | 72.1 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23 | -177.4 | -60 | 92.3 | 0 | 0 | 0 | 115.4 | G98 T99 N101 Q127 K129 N153 | G98-W103 PolarHBondContact O-N 2.97Å; T99-W103 HydrophobicContact CG2-CZ2 4.3Å; N101-W103 PolarHBondContact O-N 2.86Å; N101-W103 WeakPolarHBondContact OD1-CA 3.49Å; N101-W103 PolarHBondContact OD1-N 2.69Å; W103-Q127 HydrophobicContact CH2-CB 4.24Å; W103-Q127 HydrophobicContact CZ2-CB 4.22Å; W103-K129 HydrophobicContact CZ3-CB 3.95Å; W103-N153 HydrophobicContact CH2-CB 4.3Å; W103-N153 WeakPolarHBondContact CH2-ND2 3.35Å |
| 104 | S | 96.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | trans | -71.2 | 161.3 | 168.9 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | S97 N101 N102 | S97-S104 WeakPolarHBondContact CA-O 3.22Å; S97-S104 VanDerWaalsContact CB-O 3.25Å; S97-S104 WeakPolarHBondContact CB-O 3.49Å; S97-S104 PolarHBondContact OG-O 2.95Å; N101-S104 PolarHBondContact ND2-O 2.95Å; N101-S104 PolarHBondContact ND2-OG 2.8Å; N101-S104 WeakPolarHBondContact O-CB 3.32Å; N101-S104 PolarHBondContact O-N 3.08Å; N101-S104 VanDerWaalsContact O-N 3.08Å; N101-S104 PolarHBondContact O-OG 2.97Å; N101-S104 PolarHBondContact OD1-N 3.33Å; N101-S104 PolarHBondContact OD1-O 2.94Å; N102-S104 PolarHBondContact O-N 3.37Å | ||
| 105 | K | 96.3 | Very high | 94.6 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | trans | -94.5 | 112.7 | -177.3 | -67.4 | -174.4 | -177.6 | -175.8 | 0 | 111.3 | Y95 F131 | Y95-K105 HydrophobicContact CD1-CB 3.95Å; Y95-K105 HydrophobicContact CG-CB 4.19Å; Y95-K105 HydrophobicContact CG-CD 4.45Å; K105-F131 HydrophobicContact CD-CD1 4.27Å; K105-F131 VanDerWaalsContact NZ-CD1 3.35Å | ||
| 106 | I | 97.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 22% | 0.221 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.3 | 170.4 | -65.9 | 168.5 | 0 | 0 | 0 | 108.2 | Y95 L96 F100 N101 L119 | Y95-I106 CarbonylContact C-O 3.6Å; Y95-I106 WeakPolarHBondContact CA-O 3.42Å; Y95-I106 WeakPolarHBondContact CB-O 3.41Å; L96-I106 PolarHBondContact N-O 3.46Å; L96-I106 PolarHBondContact O-N 3.3Å; F100-I106 HydrophobicContact CE2-CD1 4.28Å; N101-I106 HydrophobicContact CB-CD1 4.15Å; N101-I106 WeakPolarHBondContact ND2-CD1 3.17Å; N101-I106 WeakPolarHBondContact ND2-CG1 3.43Å; I106-L119 HydrophobicContact CD1-CD1 3.79Å; I106-L119 HydrophobicContact CD1-CD2 4.14Å |
| 107 | P | 96.7 | Very high | 94.5 | Very high | 89 Ų | 89 | 68.5 Ų | 68.5 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 136 | 175.8 | 28.6 | -33.7 | 0 | 0 | 0 | 110.7 | Y95 | Y95-P107 HydrophobicContact CD1-CB 3.94Å; Y95-P107 HydrophobicContact CE1-CB 3.91Å |
| 108 | L | 96.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 73.8 Ų | 73.8 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 141.9 | 174.2 | -61.1 | -170.1 | 0 | 0 | 0 | 111.5 | W87 V94 L96 R110 F115 A117 F130 | W87-L108 HydrophobicContact CB-CD1 4.18Å; V94-L108 HydrophobicContact CB-CB 4.47Å; V94-L108 HydrophobicContact CB-CD1 4.26Å; V94-L108 HydrophobicContact CG1-CD1 3.57Å; V94-L108 HydrophobicContact CG1-CG 4.17Å; V94-L108 PolarHBondContact O-N 2.9Å; L96-L108 HydrophobicContact CB-CD2 3.79Å; L96-L108 HydrophobicContact CB-CG 4.41Å; L96-L108 HydrophobicContact CD2-CD2 4.36Å; L108-R110 PolarHBondContact O-N 3.19Å; L108-F115 HydrophobicContact CB-CB 3.78Å; L108-F115 HydrophobicContact CB-CD1 4.43Å; L108-F115 HydrophobicContact CD1-CB 3.78Å; L108-F115 HydrophobicContact CG-CB 4.46Å; L108-A117 HydrophobicContact CD2-CB 3.38Å; L108-F130 HydrophobicContact CD1-CD1 3.99Å; L108-F130 HydrophobicContact CD1-CE1 3.82Å |
| 109 | T | 95.9 | Very high | 94.4 | Very high | 110 Ų | 110 | 75.5 Ų | 75.5 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.1 | 174.7 | -60.5 | 0 | 0 | 0 | 0 | 109.8 | F115 V116 | T109-F115 WeakPolarHBondContact O-CA 3.04Å; T109-V116 PolarHBondContact N-O 2.88Å; T109-V116 PolarHBondContact O-N 2.94Å |
| 110 | R | 94.1 | Very high | 94.4 | Very high | 147 Ų | 147 | 77.5 Ų | 77.5 | 56% | 0.555 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.1 | 177.7 | -176.2 | 172.6 | -178.9 | 145.1 | 6.7 | 111.4 | G91 L108 F115 | G91-R110 PolarHBondContact O-NH1 3.35Å; L108-R110 PolarHBondContact O-N 3.19Å; R110-F115 HydrophobicContact CB-CD1 3.76Å; R110-F115 HydrophobicContact CB-CE1 3.6Å; R110-F115 HydrophobicContact CB-CZ 4.28Å; R110-F115 HydrophobicContact CG-CD1 4.14Å; R110-F115 HydrophobicContact CG-CE1 3.71Å; R110-F115 HydrophobicContact CG-CE2 4.4Å; R110-F115 HydrophobicContact CG-CZ 3.86Å |
| 111 | S | 88.3 | Confident | 94.4 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | trans | -96.6 | -170 | 160.9 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | N114 | S111-N114 WeakPolarHBondContact CA-O 3.44Å; S111-N114 WeakPolarHBondContact CB-O 3.31Å; S111-N114 PolarHBondContact N-O 3.22Å | ||
| 112 | H | 85 | Confident | 94.5 | Very high | 171 Ų | 171 | 76.5 Ų | 76.5 | 79% | 0.792 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -54.8 | -58.5 | -176.8 | -64 | 89.9 | 0 | 0 | 0 | 112.7 | ||
| 113 | N | 88.7 | Confident | 94.4 | Very high | 133 Ų | 133 | 72.1 Ų | 72.1 | 71% | 0.711 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -118.8 | -2.4 | -177.4 | -69 | 11.2 | 0 | 0 | 0 | 113.8 | ||
| 114 | N | 93.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | trans | -130.2 | 147.8 | -174.6 | -58.5 | -63.1 | 0 | 0 | 0 | 110.3 | R86 W87 S111 V116 | R86-N114 HydrophobicContact CG-CB 4.26Å; W87-N114 WeakPolarHBondContact O-CA 3.23Å; S111-N114 WeakPolarHBondContact CA-O 3.44Å; S111-N114 WeakPolarHBondContact CB-O 3.31Å; S111-N114 PolarHBondContact N-O 3.22Å; N114-V116 HydrophobicContact CB-CG2 4.26Å | ||
| 115 | F | 96.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.1 | 164.2 | -65.6 | -105.8 | 0 | 0 | 0 | 108.6 | R86 W87 G91 V94 L108 T109 R110 | R86-F115 CarbonylContact C-O 3.56Å; R86-F115 WeakPolarHBondContact CA-O 3.37Å; W87-F115 HydrophobicContact CB-CB 4.25Å; W87-F115 PolarHBondContact N-O 2.91Å; W87-F115 PolarHBondContact O-N 2.97Å; G91-F115 WeakPolarHBondContact O-CZ 3.25Å; V94-F115 HydrophobicContact CB-CB 4.23Å; V94-F115 HydrophobicContact CB-CD1 3.79Å; V94-F115 HydrophobicContact CB-CD2 4.48Å; V94-F115 HydrophobicContact CB-CE1 4.18Å; V94-F115 HydrophobicContact CB-CG 3.94Å; V94-F115 HydrophobicContact CG2-CB 4.42Å; V94-F115 HydrophobicContact CG2-CD1 3.7Å; V94-F115 HydrophobicContact CG2-CD2 3.77Å; V94-F115 HydrophobicContact CG2-CE1 3.72Å; V94-F115 HydrophobicContact CG2-CE2 3.8Å; V94-F115 HydrophobicContact CG2-CG 3.72Å; V94-F115 HydrophobicContact CG2-CZ 3.77Å; L108-F115 HydrophobicContact CB-CB 3.78Å; L108-F115 HydrophobicContact CB-CD1 4.43Å; L108-F115 HydrophobicContact CD1-CB 3.78Å; L108-F115 HydrophobicContact CG-CB 4.46Å; T109-F115 WeakPolarHBondContact O-CA 3.04Å; R110-F115 HydrophobicContact CB-CD1 3.76Å; R110-F115 HydrophobicContact CB-CE1 3.6Å; R110-F115 HydrophobicContact CB-CZ 4.28Å; R110-F115 HydrophobicContact CG-CD1 4.14Å; R110-F115 HydrophobicContact CG-CE1 3.71Å; R110-F115 HydrophobicContact CG-CE2 4.4Å; R110-F115 HydrophobicContact CG-CZ 3.86Å |
| 116 | V | 96.6 | Very high | 94.3 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.3 | -172.2 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | V84 F85 R86 T109 N114 | V84-V116 HydrophobicContact CG1-CG1 4Å; F85-V116 VanDerWaalsContact O-CA 3.32Å; F85-V116 WeakPolarHBondContact O-CA 3.36Å; R86-V116 HydrophobicContact CB-CG2 4.41Å; R86-V116 HydrophobicContact CG-CG2 4.17Å; T109-V116 PolarHBondContact N-O 2.88Å; T109-V116 PolarHBondContact O-N 2.94Å; N114-V116 HydrophobicContact CB-CG2 4.26Å |
| 117 | A | 96 | Very high | 94.3 | Very high | 13 Ų | 13 | 68.2 Ų | 68.2 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F85 L108 | F85-A117 PolarHBondContact N-O 2.92Å; F85-A117 PolarHBondContact O-N 3.46Å; L108-A117 HydrophobicContact CD2-CB 3.38Å |
| 118 | I | 96.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 64.4 Ų | 64.4 | 57% | 0.569 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.2 | 170.3 | -54.2 | -179.5 | 0 | 0 | 0 | 105.6 | P82 T83 V84 | P82-I118 HydrophobicContact CB-CG2 3.82Å; T83-I118 WeakPolarHBondContact O-CA 3.25Å; V84-I118 HydrophobicContact CG2-CG1 4.27Å |
| 119 | L | 95.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.3 | -177.2 | -62.3 | 178.1 | 0 | 0 | 0 | 109 | T83 F85 L96 F100 I106 L121 | T83-L119 WeakPolarHBondContact CB-O 3.06Å; T83-L119 PolarHBondContact N-O 2.84Å; T83-L119 PolarHBondContact O-N 3.05Å; F85-L119 HydrophobicContact CD2-CB 4.49Å; F85-L119 HydrophobicContact CD2-CD1 4.18Å; F85-L119 HydrophobicContact CD2-CG 4.44Å; F85-L119 HydrophobicContact CE2-CB 4.37Å; F85-L119 HydrophobicContact CE2-CD1 4.27Å; L96-L119 HydrophobicContact CD2-CD1 3.77Å; F100-L119 HydrophobicContact CD2-CD1 4.16Å; F100-L119 HydrophobicContact CE2-CD1 3.46Å; F100-L119 VanDerWaalsContact CE2-CD1 3.46Å; F100-L119 HydrophobicContact CZ-CD1 3.97Å; I106-L119 HydrophobicContact CD1-CD1 3.79Å; I106-L119 HydrophobicContact CD1-CD2 4.14Å; L119-L121 HydrophobicContact CB-CD2 4.36Å; L119-L121 PolarHBondContact O-N 3.27Å |
| 120 | D | 95.5 | Very high | 94.4 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 113.6 | 173.7 | -62.6 | -43.3 | 0 | 0 | 0 | 109.2 | A80 R81 P82 | A80-D120 HydrophobicContact CB-CB 3.73Å; R81-D120 WeakPolarHBondContact O-CA 3.48Å; P82-D120 WeakPolarHBondContact CA-OD1 3.42Å; P82-D120 WeakPolarHBondContact CB-OD1 3.36Å |
| 121 | L | 94.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.9 | -179.6 | -63 | -169.9 | 0 | 0 | 0 | 110.9 | A80 R81 T83 F85 F100 L119 H126 V158 | A80-L121 WeakPolarHBondContact CA-O 3.4Å; R81-L121 PolarHBondContact N-O 2.85Å; R81-L121 PolarHBondContact O-N 3.16Å; T83-L121 HydrophobicContact CG2-CD1 4.18Å; F85-L121 HydrophobicContact CE2-CD1 3.71Å; F85-L121 HydrophobicContact CE2-CG 4.45Å; F85-L121 HydrophobicContact CZ-CD1 3.62Å; F100-L121 HydrophobicContact CB-CD2 3.45Å; F100-L121 VanDerWaalsContact CB-CD2 3.45Å; F100-L121 HydrophobicContact CD1-CD1 3.87Å; F100-L121 HydrophobicContact CD1-CD2 3.78Å; F100-L121 HydrophobicContact CD2-CD2 3.96Å; F100-L121 HydrophobicContact CE1-CD1 4.21Å; F100-L121 HydrophobicContact CG-CD1 4.41Å; F100-L121 HydrophobicContact CG-CD2 3.45Å; F100-L121 VanDerWaalsContact CG-CD2 3.45Å; L119-L121 HydrophobicContact CB-CD2 4.36Å; L119-L121 PolarHBondContact O-N 3.27Å; L121-H126 HydrophobicContact CD1-CB 4.3Å; L121-V158 HydrophobicContact CB-CG2 4.39Å |
| 122 | P | 94.1 | Very high | 95 | Very high | 46 Ų | 46 | 52.2 Ų | 52.2 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -66.7 | 155.5 | 170.2 | 29.9 | -34.2 | 0 | 0 | 0 | 110.4 | T78 H126 | T78-P122 HydrophobicContact CG2-CB 3.54Å; P122-H126 PolarHBondContact O-NE2 3.03Å | ||
| 123 | E | 93.8 | Very high | 95.5 | Very high | 61 Ų | 61 | 48 Ų | 48 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -54.2 | 139.9 | 171.7 | -65.2 | 169.7 | -146.5 | 0 | 0 | 112 | R81 K160 | R81-E123 IonicContact CZ-OE1 3.91Å; R81-E123 IonicContact NH2-OE1 3.88Å; E123-K160 VanDerWaalsContact CD-CE 3.47Å; E123-K160 HydrophobicContact CG-CG 4.47Å; E123-K160 VanDerWaalsContact OE1-CE 3.25Å; E123-K160 WeakPolarHBondContact OE1-CE 3.21Å; E123-K160 VanDerWaalsContact OE1-CG 3.27Å; E123-K160 WeakPolarHBondContact OE1-CG 3.19Å; E123-K160 WeakPolarHBondContact OE2-CE 3.39Å; E123-K160 WeakPolarHBondContact OE2-CG 3.34Å |
| 124 | G | 94.2 | Very high | 95.7 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.4 | -174.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q157 V158 | G124-Q157 VanDerWaalsContact C-NE2 3.31Å; G124-Q157 PolarHBondContact O-NE2 3.45Å; G124-V158 PolarHBondContact N-O 3.14Å; G124-V158 PolarHBondContact O-N 3.24Å |
| 125 | E | 95.8 | Very high | 95.8 | Very high | 136 Ų | 136 | 48.2 Ų | 48.2 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.1 | 173.7 | -68.7 | -175.6 | 169.8 | 0 | 0 | 110.9 | I155 Q157 | E125-I155 HydrophobicContact CB-CD1 4.27Å; E125-I155 HydrophobicContact CG-CD1 4.3Å; E125-Q157 VanDerWaalsContact CG-OE1 3.23Å |
| 126 | H | 96 | Very high | 95.8 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128 | 174.9 | -64.2 | -81.2 | 0 | 0 | 0 | 110.4 | T99 F100 L121 P122 I155 I156 | T99-H126 WeakPolarHBondContact OG1-CA 3.32Å; F100-H126 HydrophobicContact CD1-CB 4.12Å; L121-H126 HydrophobicContact CD1-CB 4.3Å; P122-H126 PolarHBondContact O-NE2 3.03Å; H126-I155 WeakPolarHBondContact O-CA 3.35Å; H126-I156 HydrophobicContact CB-CG2 3.95Å; H126-I156 PolarHBondContact N-O 3.1Å; H126-I156 PolarHBondContact O-N 2.89Å |
| 127 | Q | 96.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 140.2 | 171.6 | -59.1 | -174.7 | 16.2 | 0 | 0 | 109.8 | G98 T99 W103 V145 N153 N154 | G98-Q127 CarbonylContact C-O 3.52Å; G98-Q127 WeakPolarHBondContact CA-O 3.33Å; T99-Q127 HydrophobicContact CG2-CB 3.96Å; T99-Q127 HydrophobicContact CG2-CG 4.47Å; T99-Q127 PolarHBondContact N-O 2.73Å; T99-Q127 PolarHBondContact OG1-N 2.6Å; T99-Q127 VanDerWaalsContact OG1-N 3.16Å; T99-Q127 PolarHBondContact OG1-O 2.98Å; W103-Q127 HydrophobicContact CH2-CB 4.24Å; W103-Q127 HydrophobicContact CZ2-CB 4.22Å; Q127-V145 VanDerWaalsContact CD-CG1 3.5Å; Q127-V145 HydrophobicContact CG-CG1 3.79Å; Q127-N153 HydrophobicContact CB-CB 4.33Å; Q127-N153 PolarHBondContact OE1-ND2 3.49Å; Q127-N154 CarbonylContact C-O 3.47Å; Q127-N154 VanDerWaalsContact CA-O 3.31Å; Q127-N154 WeakPolarHBondContact CA-O 3.44Å |
| 128 | Y | 97.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 164.1 | -179.6 | 69.1 | -81.1 | 0 | 0 | 0 | 112.4 | F85 L96 S97 F130 N154 I156 | F85-Y128 HydrophobicContact CD1-CD1 4.41Å; F85-Y128 AromaticContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CE1 4.45Å; F85-Y128 AromaticContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CG 4.09Å; F85-Y128 AromaticContact CE1-CD1 3.67Å; F85-Y128 HydrophobicContact CE1-CD1 3.67Å; F85-Y128 AromaticContact CE1-CD2 3.86Å; F85-Y128 HydrophobicContact CE1-CD2 3.86Å; F85-Y128 AromaticContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE2 4.07Å; F85-Y128 AromaticContact CE1-CG 3.64Å; F85-Y128 HydrophobicContact CE1-CG 3.64Å; L96-Y128 HydrophobicContact CD1-CD2 3.7Å; L96-Y128 HydrophobicContact CD1-CG 4.26Å; S97-Y128 CarbonylContact O-C 3.06Å; S97-Y128 VanDerWaalsContact O-CA 3.25Å; S97-Y128 WeakPolarHBondContact O-CA 3.22Å; Y128-F130 HydrophobicContact CD2-CE2 4.19Å; Y128-F130 HydrophobicContact CD2-CZ 4.28Å; Y128-F130 AromaticContact CE2-CE2 3.7Å; Y128-F130 HydrophobicContact CE2-CE2 3.7Å; Y128-F130 AromaticContact CE2-CZ 3.88Å; Y128-F130 HydrophobicContact CE2-CZ 3.88Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.01Å; Y128-N154 HydrophobicContact CE1-CB 3.4Å; Y128-N154 HydrophobicContact CE2-CB 3.58Å; Y128-N154 HydrophobicContact CG-CB 4.15Å; Y128-N154 PolarHBondContact N-O 2.73Å; Y128-N154 PolarHBondContact O-N 3.46Å; Y128-I156 HydrophobicContact CD1-CG2 4.05Å; Y128-I156 HydrophobicContact CE1-CB 3.95Å; Y128-I156 HydrophobicContact CE1-CG2 3.95Å |
| 129 | K | 97.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 51 Ų | 51 | 12% | 0.122 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 149 | 179 | -159.1 | 167.9 | -168.4 | 162 | 0 | 111.1 | S97 W103 W136 T137 V152 | S97-K129 PolarHBondContact N-O 3.22Å; S97-K129 PolarHBondContact O-N 3.17Å; W103-K129 HydrophobicContact CZ3-CB 3.95Å; K129-W136 HydrophobicContact CB-CE3 4.15Å; K129-W136 HydrophobicContact CB-CZ3 4.18Å; K129-W136 HydrophobicContact CD-CB 4.41Å; K129-W136 HydrophobicContact CD-CE3 3.95Å; K129-W136 HydrophobicContact CG-CE3 3.9Å; K129-W136 HydrophobicContact CG-CZ3 4.42Å; K129-T137 WeakPolarHBondContact CG-O 3.43Å; K129-V152 WeakPolarHBondContact CE-O 3.41Å; K129-V152 PolarHBondContact NZ-O 3.21Å |
| 130 | F | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143 | 176.6 | -62.5 | -76.7 | 0 | 0 | 0 | 111.1 | W87 V94 Y95 L96 L108 Y128 V132 T137 D139 | W87-F130 HydrophobicContact CB-CD1 4.18Å; W87-F130 HydrophobicContact CB-CE1 3.98Å; W87-F130 HydrophobicContact CB-CZ 4.26Å; W87-F130 HydrophobicContact CD2-CD2 4.39Å; W87-F130 HydrophobicContact CD2-CG 4.34Å; W87-F130 HydrophobicContact CE3-CB 4.26Å; W87-F130 HydrophobicContact CE3-CD1 4.43Å; W87-F130 AromaticContact CE3-CD2 3.45Å; W87-F130 HydrophobicContact CE3-CD2 3.45Å; W87-F130 VanDerWaalsContact CE3-CD2 3.45Å; W87-F130 AromaticContact CE3-CE2 3.79Å; W87-F130 HydrophobicContact CE3-CE2 3.79Å; W87-F130 AromaticContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CZ 4.42Å; W87-F130 AromaticContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CE2 4.42Å; W87-F130 HydrophobicContact CZ3-CG 4.37Å; V94-F130 HydrophobicContact CG1-CD1 4.24Å; Y95-F130 CarbonylContact O-C 3.47Å; Y95-F130 WeakPolarHBondContact O-CA 3.37Å; L96-F130 HydrophobicContact CD1-CD1 4.19Å; L96-F130 HydrophobicContact CD1-CE1 3.92Å; L96-F130 HydrophobicContact CD1-CZ 4.43Å; L108-F130 HydrophobicContact CD1-CD1 3.99Å; L108-F130 HydrophobicContact CD1-CE1 3.82Å; Y128-F130 HydrophobicContact CD2-CE2 4.19Å; Y128-F130 HydrophobicContact CD2-CZ 4.28Å; Y128-F130 AromaticContact CE2-CE2 3.7Å; Y128-F130 HydrophobicContact CE2-CE2 3.7Å; Y128-F130 AromaticContact CE2-CZ 3.88Å; Y128-F130 HydrophobicContact CE2-CZ 3.88Å; F130-V132 HydrophobicContact CB-CG2 4.23Å; F130-T137 HydrophobicContact CB-CG2 4.05Å; F130-T137 PolarHBondContact N-O 3.34Å; F130-T137 PolarHBondContact O-N 2.93Å; F130-T137 VanDerWaalsContact O-O 3.04Å; F130-D139 HydrophobicContact CE2-CB 4.1Å |
| 131 | F | 97.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 54 Ų | 54 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 105.2 | 170.4 | -174.3 | -95.4 | 0 | 0 | 0 | 108 | V94 Y95 K105 G134 Q135 W136 | V94-F131 WeakPolarHBondContact CA-O 3.43Å; Y95-F131 AromaticContact CD2-CD1 3.94Å; Y95-F131 HydrophobicContact CD2-CD1 3.94Å; Y95-F131 PolarHBondContact N-O 2.65Å; Y95-F131 PolarHBondContact O-N 3.3Å; K105-F131 HydrophobicContact CD-CD1 4.27Å; K105-F131 VanDerWaalsContact NZ-CD1 3.35Å; F131-G134 VanDerWaalsContact CE2-O 3.28Å; F131-G134 WeakPolarHBondContact CE2-O 3.47Å; F131-G134 VanDerWaalsContact CZ-O 3.28Å; F131-G134 WeakPolarHBondContact CZ-O 3.49Å; F131-Q135 CarbonylContact C-O 3.54Å; F131-Q135 WeakPolarHBondContact CA-O 3.48Å; F131-W136 HydrophobicContact CB-CD2 4.37Å; F131-W136 HydrophobicContact CB-CE3 3.94Å; F131-W136 HydrophobicContact CB-CH2 4.28Å; F131-W136 HydrophobicContact CB-CZ3 3.89Å; F131-W136 AromaticContact CD2-CD2 3.66Å; F131-W136 HydrophobicContact CD2-CD2 3.66Å; F131-W136 AromaticContact CD2-CE2 3.63Å; F131-W136 HydrophobicContact CD2-CE3 4.11Å; F131-W136 AromaticContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CZ2 4.09Å; F131-W136 AromaticContact CD2-NE1 3.84Å |
| 132 | V | 96.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.3 | -171.9 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | W87 G90 V94 F130 G134 Q135 T137 | W87-V132 HydrophobicContact CD2-CG2 4.36Å; W87-V132 HydrophobicContact CZ2-CG2 3.9Å; G90-V132 WeakPolarHBondContact O-CG1 3.49Å; V94-V132 HydrophobicContact CG1-CG2 3.87Å; V94-V132 HydrophobicContact CG2-CG1 4.26Å; V94-V132 HydrophobicContact CG2-CG2 4.09Å; F130-V132 HydrophobicContact CB-CG2 4.23Å; V132-G134 PolarHBondContact O-N 2.88Å; V132-Q135 PolarHBondContact N-O 3.27Å; V132-Q135 PolarHBondContact O-N 2.82Å; V132-T137 HydrophobicContact CB-CG2 4.15Å; V132-T137 HydrophobicContact CG2-CG2 3.58Å |
| 133 | D | 95 | Very high | 95.8 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 37.4 | 174 | -65.5 | -12.7 | 0 | 0 | 0 | 114.4 | G91 K92 E93 | G91-D133 WeakPolarHBondContact CA-OD2 3.44Å; K92-D133 WeakPolarHBondContact CA-OD1 3.48Å; K92-D133 WeakPolarHBondContact CB-OD1 3.33Å; K92-D133 VanDerWaalsContact N-CG 3.32Å; K92-D133 PolarHBondContact N-OD1 3.22Å; K92-D133 PolarHBondContact N-OD2 3.12Å; K92-D133 VanDerWaalsContact N-OD2 3.07Å; E93-D133 PolarHBondContact N-OD1 2.97Å; E93-D133 PolarHBondContact O-N 2.81Å |
| 134 | G | 94.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -5.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F131 V132 | F131-G134 VanDerWaalsContact CE2-O 3.28Å; F131-G134 WeakPolarHBondContact CE2-O 3.47Å; F131-G134 VanDerWaalsContact CZ-O 3.28Å; F131-G134 WeakPolarHBondContact CZ-O 3.49Å; V132-G134 PolarHBondContact O-N 2.88Å |
| 135 | Q | 95.5 | Very high | 96 | Very high | 144 Ų | 144 | 60.9 Ų | 60.9 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.8 | -174.8 | -63.8 | -59.7 | -31.3 | 0 | 0 | 112.9 | F131 V132 | F131-Q135 CarbonylContact C-O 3.54Å; F131-Q135 WeakPolarHBondContact CA-O 3.48Å; V132-Q135 PolarHBondContact N-O 3.27Å; V132-Q135 PolarHBondContact O-N 2.82Å |
| 136 | W | 95.6 | Very high | 96 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 46% | 0.458 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.6 | 174.6 | -75.6 | 110 | 0 | 0 | 0 | 111.1 | K129 F131 | K129-W136 HydrophobicContact CB-CE3 4.15Å; K129-W136 HydrophobicContact CB-CZ3 4.18Å; K129-W136 HydrophobicContact CD-CB 4.41Å; K129-W136 HydrophobicContact CD-CE3 3.95Å; K129-W136 HydrophobicContact CG-CE3 3.9Å; K129-W136 HydrophobicContact CG-CZ3 4.42Å; F131-W136 HydrophobicContact CB-CD2 4.37Å; F131-W136 HydrophobicContact CB-CE3 3.94Å; F131-W136 HydrophobicContact CB-CH2 4.28Å; F131-W136 HydrophobicContact CB-CZ3 3.89Å; F131-W136 AromaticContact CD2-CD2 3.66Å; F131-W136 HydrophobicContact CD2-CD2 3.66Å; F131-W136 AromaticContact CD2-CE2 3.63Å; F131-W136 HydrophobicContact CD2-CE3 4.11Å; F131-W136 AromaticContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CZ2 4.09Å; F131-W136 AromaticContact CD2-NE1 3.84Å |
| 137 | T | 95.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 27% | 0.27 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 169.1 | -179.3 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | W87 K129 F130 V132 | W87-T137 HydrophobicContact CH2-CG2 3.45Å; W87-T137 VanDerWaalsContact CH2-CG2 3.45Å; W87-T137 HydrophobicContact CZ2-CG2 3.84Å; W87-T137 HydrophobicContact CZ3-CG2 3.99Å; K129-T137 WeakPolarHBondContact CG-O 3.43Å; F130-T137 HydrophobicContact CB-CG2 4.05Å; F130-T137 PolarHBondContact N-O 3.34Å; F130-T137 PolarHBondContact O-N 2.93Å; F130-T137 VanDerWaalsContact O-O 3.04Å; V132-T137 HydrophobicContact CB-CG2 4.15Å; V132-T137 HydrophobicContact CG2-CG2 3.58Å |
| 138 | H | 95.6 | Very high | 95 | Very high | 65 Ų | 65 | 67 Ų | 67 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | trans | -129.9 | 157.1 | 177.5 | 68.6 | -84.1 | 0 | 0 | 0 | 108.8 | N154 | H138-N154 WeakPolarHBondContact CA-OD1 3.43Å; H138-N154 VanDerWaalsContact CB-OD1 3.3Å; H138-N154 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 139 | D | 95.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.027 | 41% | 0.407 | C | S | . | . | trans | -79.1 | 122.1 | 173.1 | -164.5 | -47.3 | 0 | 0 | 0 | 109 | W87 F130 S141 E142 N154 | W87-D139 HydrophobicContact CE3-CB 4.4Å; W87-D139 HydrophobicContact CZ3-CB 4.21Å; F130-D139 HydrophobicContact CE2-CB 4.1Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.07Å; D139-S141 WeakPolarHBondContact OD1-CB 3.21Å; D139-S141 PolarHBondContact OD1-N 3.29Å; D139-S141 PolarHBondContact OD1-OG 3.35Å; D139-E142 HydrophobicContact CB-CB 4.28Å; D139-E142 HydrophobicContact CB-CG 4.16Å; D139-N154 PolarHBondContact N-OD1 2.92Å; D139-N154 PolarHBondContact O-ND2 3.43Å | ||
| 140 | P | 94.6 | Very high | 94.1 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 73% | 0.734 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.8 | -179.2 | 32.9 | -37.4 | 0 | 0 | 0 | 113.9 | ||
| 141 | S | 94.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 78.2 Ų | 78.2 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -17.5 | 174.9 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | D139 | D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.07Å; D139-S141 WeakPolarHBondContact OD1-CB 3.21Å; D139-S141 PolarHBondContact OD1-N 3.29Å; D139-S141 PolarHBondContact OD1-OG 3.35Å |
| 142 | E | 96.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 79 Ų | 79 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -100.8 | 152 | -178.4 | -65.1 | -62.1 | 153.1 | 0 | 0 | 111.8 | D139 N154 | D139-E142 HydrophobicContact CB-CB 4.28Å; D139-E142 HydrophobicContact CB-CG 4.16Å; E142-N154 PolarHBondContact O-ND2 3.33Å |
| 143 | P | 96.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 78.4 Ų | 78.4 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | trans | -55.4 | 147.4 | 177.1 | -25.7 | 35.4 | 0 | 0 | 0 | 113.3 | N154 I155 | P143-N154 CarbonylContact O-C 3.57Å; P143-N154 VanDerWaalsContact O-CA 3.23Å; P143-N154 WeakPolarHBondContact O-CA 3.45Å; P143-N154 PolarHBondContact O-ND2 2.91Å; P143-I155 HydrophobicContact CB-CG2 3.9Å; P143-I155 PolarHBondContact O-N 3.33Å | ||
| 144 | V | 96.8 | Very high | 93.8 | Very high | 74 Ų | 74 | 74.5 Ų | 74.5 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151 | 179.3 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | V152 N153 N154 | V144-V152 HydrophobicContact CB-CG1 3.9Å; V144-V152 HydrophobicContact CG1-CG1 4.1Å; V144-V152 HydrophobicContact CG2-CG1 4.35Å; V144-N153 CarbonylContact C-O 3.26Å; V144-N153 VanDerWaalsContact CA-O 3.22Å; V144-N153 WeakPolarHBondContact CA-O 3.39Å; V144-N153 WeakPolarHBondContact CB-O 3.27Å; V144-N154 WeakPolarHBondContact CG1-ND2 3.47Å |
| 145 | V | 96.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 74.1 Ų | 74.1 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.5 | 172.6 | 65.4 | 0 | 0 | 0 | 0 | 109.8 | Q127 N153 I155 | Q127-V145 VanDerWaalsContact CD-CG1 3.5Å; Q127-V145 HydrophobicContact CG-CG1 3.79Å; V145-N153 PolarHBondContact N-O 3.26Å; V145-N153 PolarHBondContact O-N 3.21Å; V145-I155 HydrophobicContact CB-CB 4.45Å; V145-I155 HydrophobicContact CB-CG2 4.37Å; V145-I155 HydrophobicContact CG1-CB 4.01Å; V145-I155 HydrophobicContact CG1-CD1 4.39Å; V145-I155 HydrophobicContact CG1-CG2 4.45Å |
| 146 | T | 94.7 | Very high | 94 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.1 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 147 | S | 87.8 | Confident | 93.9 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | trans | -68.8 | 160.1 | 175.5 | -174 | 0 | 0 | 0 | 0 | 111.8 | L149 G150 T151 | S147-L149 PolarHBondContact O-N 3.01Å; S147-G150 PolarHBondContact O-N 3.45Å; S147-T151 WeakPolarHBondContact CB-O 3.39Å; S147-T151 WeakPolarHBondContact CB-OG1 3.33Å; S147-T151 PolarHBondContact N-O 3.19Å | ||
| 148 | Q | 85 | Confident | 93.9 | Very high | 203 Ų | 203 | 65.6 Ų | 65.6 | 95% | 0.949 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.6 | 177 | -61 | 177.3 | 9.3 | 0 | 0 | 113.2 | G150 | Q148-G150 VanDerWaalsContact C-N 3.27Å; Q148-G150 PolarHBondContact O-N 3.34Å |
| 149 | L | 85.5 | Confident | 93.8 | Very high | 154 Ų | 154 | 67.3 Ų | 67.3 | 81% | 0.806 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8.9 | 176 | -59.2 | 175.7 | 0 | 0 | 0 | 113.5 | S147 T151 | S147-L149 PolarHBondContact O-N 3.01Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 3.36Å |
| 150 | G | 88.6 | Confident | 93.5 | Very high | 56 Ų | 56 | 73.3 Ų | 73.3 | 58% | 0.577 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 77.7 | 4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | S147 Q148 | S147-G150 PolarHBondContact O-N 3.45Å; Q148-G150 VanDerWaalsContact C-N 3.27Å; Q148-G150 PolarHBondContact O-N 3.34Å |
| 151 | T | 91.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | trans | -82.2 | 124.2 | 178.2 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | S147 L149 | S147-T151 WeakPolarHBondContact CB-O 3.39Å; S147-T151 WeakPolarHBondContact CB-OG1 3.33Å; S147-T151 PolarHBondContact N-O 3.19Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 3.36Å | ||
| 152 | V | 95.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125.7 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | K129 V144 | K129-V152 WeakPolarHBondContact CE-O 3.41Å; K129-V152 PolarHBondContact NZ-O 3.21Å; V144-V152 HydrophobicContact CB-CG1 3.9Å; V144-V152 HydrophobicContact CG1-CG1 4.1Å; V144-V152 HydrophobicContact CG2-CG1 4.35Å |
| 153 | N | 96.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.2 | 177.1 | -59.3 | -27.6 | 0 | 0 | 0 | 108.8 | W103 Q127 V144 V145 | W103-N153 HydrophobicContact CH2-CB 4.3Å; W103-N153 WeakPolarHBondContact CH2-ND2 3.35Å; Q127-N153 HydrophobicContact CB-CB 4.33Å; Q127-N153 PolarHBondContact OE1-ND2 3.49Å; V144-N153 CarbonylContact C-O 3.26Å; V144-N153 VanDerWaalsContact CA-O 3.22Å; V144-N153 WeakPolarHBondContact CA-O 3.39Å; V144-N153 WeakPolarHBondContact CB-O 3.27Å; V145-N153 PolarHBondContact N-O 3.26Å; V145-N153 PolarHBondContact O-N 3.21Å |
| 154 | N | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 156.2 | 163.9 | -69.7 | 110.6 | 0 | 0 | 0 | 110.2 | Q127 Y128 H138 D139 E142 P143 V144 | Q127-N154 CarbonylContact C-O 3.47Å; Q127-N154 VanDerWaalsContact CA-O 3.31Å; Q127-N154 WeakPolarHBondContact CA-O 3.44Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.01Å; Y128-N154 HydrophobicContact CE1-CB 3.4Å; Y128-N154 HydrophobicContact CE2-CB 3.58Å; Y128-N154 HydrophobicContact CG-CB 4.15Å; Y128-N154 PolarHBondContact N-O 2.73Å; Y128-N154 PolarHBondContact O-N 3.46Å; H138-N154 WeakPolarHBondContact CA-OD1 3.43Å; H138-N154 VanDerWaalsContact CB-OD1 3.3Å; H138-N154 WeakPolarHBondContact CB-OD1 3.46Å; D139-N154 PolarHBondContact N-OD1 2.92Å; D139-N154 PolarHBondContact O-ND2 3.43Å; E142-N154 PolarHBondContact O-ND2 3.33Å; P143-N154 CarbonylContact O-C 3.57Å; P143-N154 VanDerWaalsContact O-CA 3.23Å; P143-N154 WeakPolarHBondContact O-CA 3.45Å; P143-N154 PolarHBondContact O-ND2 2.91Å; V144-N154 WeakPolarHBondContact CG1-ND2 3.47Å |
| 155 | I | 97.1 | Very high | 92.5 | Very high | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.4 | 174.4 | -173.9 | 169.2 | 0 | 0 | 0 | 110 | E125 H126 P143 V145 | E125-I155 HydrophobicContact CB-CD1 4.27Å; E125-I155 HydrophobicContact CG-CD1 4.3Å; H126-I155 WeakPolarHBondContact O-CA 3.35Å; P143-I155 HydrophobicContact CB-CG2 3.9Å; P143-I155 PolarHBondContact O-N 3.33Å; V145-I155 HydrophobicContact CB-CB 4.45Å; V145-I155 HydrophobicContact CB-CG2 4.37Å; V145-I155 HydrophobicContact CG1-CB 4.01Å; V145-I155 HydrophobicContact CG1-CD1 4.39Å; V145-I155 HydrophobicContact CG1-CG2 4.45Å |
| 156 | I | 96.3 | Very high | 92.3 | Very high | 41 Ų | 41 | 76.5 Ų | 76.5 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.4 | 172.2 | -173.7 | 163.4 | 0 | 0 | 0 | 109.4 | T83 F85 H126 Y128 | T83-I156 HydrophobicContact CG2-CD1 3.69Å; F85-I156 HydrophobicContact CE1-CG2 4.11Å; F85-I156 HydrophobicContact CZ-CG2 4.08Å; H126-I156 HydrophobicContact CB-CG2 3.95Å; H126-I156 PolarHBondContact N-O 3.1Å; H126-I156 PolarHBondContact O-N 2.89Å; Y128-I156 HydrophobicContact CD1-CG2 4.05Å; Y128-I156 HydrophobicContact CE1-CB 3.95Å; Y128-I156 HydrophobicContact CE1-CG2 3.95Å |
| 157 | Q | 95.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 75.1 Ų | 75.1 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.3 | 174.1 | 174.5 | 70.9 | 69.6 | 0 | 0 | 108.1 | G124 E125 K159 | G124-Q157 VanDerWaalsContact C-NE2 3.31Å; G124-Q157 PolarHBondContact O-NE2 3.45Å; E125-Q157 VanDerWaalsContact CG-OE1 3.23Å; Q157-K159 HydrophobicContact CG-CD 4.3Å; Q157-K159 HydrophobicContact CG-CG 3.76Å |
| 158 | V | 95.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.7 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | T83 L121 G124 F163 | T83-V158 HydrophobicContact CG2-CG2 4.3Å; L121-V158 HydrophobicContact CB-CG2 4.39Å; G124-V158 PolarHBondContact N-O 3.14Å; G124-V158 PolarHBondContact O-N 3.24Å; V158-F163 HydrophobicContact CG1-CE2 3.61Å; V158-F163 HydrophobicContact CG1-CZ 3.64Å |
| 159 | K | 92.4 | Very high | 92.8 | Very high | 101 Ų | 101 | 70 Ų | 70 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | trans | -122.6 | 158.2 | 179.8 | -52.7 | -176.4 | -179.4 | -178.9 | 0 | 111.8 | Q157 T161 D162 F163 | Q157-K159 HydrophobicContact CG-CD 4.3Å; Q157-K159 HydrophobicContact CG-CG 3.76Å; K159-T161 WeakPolarHBondContact CB-OG1 3.48Å; K159-T161 PolarHBondContact O-N 3.19Å; K159-D162 WeakPolarHBondContact CA-OD2 3.47Å; K159-D162 WeakPolarHBondContact CB-OD2 3.43Å; K159-D162 PolarHBondContact N-OD2 3.49Å; K159-D162 PolarHBondContact O-N 2.98Å; K159-D162 VanDerWaalsContact O-N 3.14Å; K159-F163 WeakPolarHBondContact O-CD2 3.48Å; K159-F163 WeakPolarHBondContact O-CE2 3.2Å | ||
| 160 | K | 90.4 | Very high | 93 | Very high | 132 Ų | 132 | 67.1 Ų | 67.1 | 57% | 0.574 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -51.5 | -42.4 | 173 | -66.8 | -171.2 | 177 | -170.9 | 0 | 113.4 | R81 E123 D162 | R81-K160 PolarHBondContact NH1-O 3.06Å; E123-K160 VanDerWaalsContact CD-CE 3.47Å; E123-K160 HydrophobicContact CG-CG 4.47Å; E123-K160 VanDerWaalsContact OE1-CE 3.25Å; E123-K160 WeakPolarHBondContact OE1-CE 3.21Å; E123-K160 VanDerWaalsContact OE1-CG 3.27Å; E123-K160 WeakPolarHBondContact OE1-CG 3.19Å; E123-K160 WeakPolarHBondContact OE2-CE 3.39Å; E123-K160 WeakPolarHBondContact OE2-CG 3.34Å; K160-D162 PolarHBondContact O-N 2.86Å |
| 161 | T | 91.6 | Very high | 93 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -60.6 | -25.4 | -178 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | K159 F163 D167 A168 V171 | K159-T161 WeakPolarHBondContact CB-OG1 3.48Å; K159-T161 PolarHBondContact O-N 3.19Å; T161-F163 PolarHBondContact O-N 2.8Å; T161-D167 HydrophobicContact CG2-CB 4.14Å; T161-A168 WeakPolarHBondContact O-CA 3.28Å; T161-A168 WeakPolarHBondContact O-CB 3.44Å; T161-A168 PolarHBondContact O-N 3.23Å; T161-V171 HydrophobicContact CG2-CG2 4.16Å |
| 162 | D | 90.9 | Very high | 93 | Very high | 67 Ų | 67 | 66.7 Ų | 66.7 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -78.7 | -4.1 | -169.3 | -48.6 | -24.9 | 0 | 0 | 0 | 112.4 | K159 K160 | K159-D162 WeakPolarHBondContact CA-OD2 3.47Å; K159-D162 WeakPolarHBondContact CB-OD2 3.43Å; K159-D162 PolarHBondContact N-OD2 3.49Å; K159-D162 PolarHBondContact O-N 2.98Å; K159-D162 VanDerWaalsContact O-N 3.14Å; K160-D162 PolarHBondContact O-N 2.86Å |
| 163 | F | 89.1 | Confident | 92.6 | Very high | 60 Ų | 60 | 66.4 Ų | 66.4 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -24.6 | -175.5 | -57.7 | -81 | 0 | 0 | 0 | 113.4 | R81 V158 K159 T161 | R81-F163 HydrophobicContact CB-CD1 3.79Å; R81-F163 HydrophobicContact CB-CD2 4.35Å; R81-F163 HydrophobicContact CB-CE1 3.3Å; R81-F163 HydrophobicContact CB-CE2 3.9Å; R81-F163 HydrophobicContact CB-CG 4.29Å; R81-F163 HydrophobicContact CB-CZ 3.34Å; R81-F163 VanDerWaalsContact CD-CE2 3.46Å; R81-F163 HydrophobicContact CG-CD1 4.42Å; R81-F163 HydrophobicContact CG-CD2 4.49Å; R81-F163 HydrophobicContact CG-CE1 4.32Å; R81-F163 HydrophobicContact CG-CE2 4.34Å; R81-F163 HydrophobicContact CG-CZ 4.26Å; R81-F163 VanDerWaalsContact NH1-CD2 3.27Å; V158-F163 HydrophobicContact CG1-CE2 3.61Å; V158-F163 HydrophobicContact CG1-CZ 3.64Å; K159-F163 WeakPolarHBondContact O-CD2 3.48Å; K159-F163 WeakPolarHBondContact O-CE2 3.2Å; T161-F163 PolarHBondContact O-N 2.8Å |
| 164 | E | 92.3 | Very high | 92.1 | Very high | 118 Ų | 118 | 72.1 Ų | 72.1 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -88.6 | 113.2 | 169.2 | -71.3 | -57.4 | 154.2 | 0 | 0 | 108.7 | F166 D167 A168 | E164-F166 PolarHBondContact O-N 3Å; E164-F166 VanDerWaalsContact O-N 3.13Å; E164-D167 HydrophobicContact CB-CB 4.06Å; E164-D167 PolarHBondContact O-N 3.48Å; E164-A168 PolarHBondContact O-N 3.34Å |
| 165 | V | 92.2 | Very high | 91.4 | Very high | 99 Ų | 99 | 78.6 Ų | 78.6 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.5 | -36.6 | -168.9 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | L169 | V165-L169 HydrophobicContact CG1-CD1 3.99Å; V165-L169 WeakPolarHBondContact O-CB 3.13Å; V165-L169 WeakPolarHBondContact O-CD1 2.91Å; V165-L169 WeakPolarHBondContact O-CG 3.27Å; V165-L169 PolarHBondContact O-N 3.3Å; V165-L169 VanDerWaalsContact O-N 3.1Å |
| 166 | F | 92.6 | Very high | 90.2 | Very high | 171 Ų | 171 | 81.4 Ų | 81.4 | 75% | 0.75 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.7 | -37.6 | 177.7 | -63.4 | -66.8 | 0 | 0 | 0 | 112.7 | E164 M170 | E164-F166 PolarHBondContact O-N 3Å; E164-F166 VanDerWaalsContact O-N 3.13Å; F166-M170 VanDerWaalsContact O-CB 3.28Å; F166-M170 WeakPolarHBondContact O-CB 3.25Å; F166-M170 PolarHBondContact O-N 2.91Å |
| 167 | D | 93 | Very high | 88.2 | Confident | 64 Ų | 64 | 84.5 Ų | 84.5 | 34% | 0.342 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.1 | -41.8 | 177.9 | -71 | -11.5 | 0 | 0 | 0 | 111.3 | T161 E164 M170 V171 | T161-D167 HydrophobicContact CG2-CB 4.14Å; E164-D167 HydrophobicContact CB-CB 4.06Å; E164-D167 PolarHBondContact O-N 3.48Å; D167-M170 PolarHBondContact O-N 2.94Å; D167-V171 WeakPolarHBondContact O-CB 3.49Å; D167-V171 WeakPolarHBondContact O-CG2 3.34Å; D167-V171 PolarHBondContact O-N 3.24Å |
| 168 | A | 92.9 | Very high | 86.1 | Confident | 23 Ų | 23 | 86.2 Ų | 86.2 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T161 E164 M170 V171 D172 | T161-A168 WeakPolarHBondContact O-CA 3.28Å; T161-A168 WeakPolarHBondContact O-CB 3.44Å; T161-A168 PolarHBondContact O-N 3.23Å; E164-A168 PolarHBondContact O-N 3.34Å; A168-M170 VanDerWaalsContact C-N 3.35Å; A168-M170 PolarHBondContact O-N 2.82Å; A168-V171 PolarHBondContact O-N 2.8Å; A168-D172 WeakPolarHBondContact O-CB 3.4Å; A168-D172 PolarHBondContact O-N 3.18Å |
| 169 | L | 92 | Very high | 84.3 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 58% | 0.576 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.3 | -38.4 | 177.2 | -72.3 | 172.1 | 0 | 0 | 0 | 112.5 | V165 S173 | V165-L169 HydrophobicContact CG1-CD1 3.99Å; V165-L169 WeakPolarHBondContact O-CB 3.13Å; V165-L169 WeakPolarHBondContact O-CD1 2.91Å; V165-L169 WeakPolarHBondContact O-CG 3.27Å; V165-L169 PolarHBondContact O-N 3.3Å; V165-L169 VanDerWaalsContact O-N 3.1Å; L169-S173 WeakPolarHBondContact O-CB 3.49Å; L169-S173 PolarHBondContact O-N 3.17Å; L169-S173 PolarHBondContact O-OG 3.32Å |
| 170 | M | 89.6 | Confident | 82.4 | Confident | 93 Ų | 93 | 90.5 Ų | 90.5 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -50.5 | 174.8 | 176.1 | 172.1 | 54.5 | 0 | 0 | 111 | F166 D167 A168 D172 S173 Q174 | F166-M170 VanDerWaalsContact O-CB 3.28Å; F166-M170 WeakPolarHBondContact O-CB 3.25Å; F166-M170 PolarHBondContact O-N 2.91Å; D167-M170 PolarHBondContact O-N 2.94Å; A168-M170 VanDerWaalsContact C-N 3.35Å; A168-M170 PolarHBondContact O-N 2.82Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 2.98Å; M170-S173 PolarHBondContact O-N 3.13Å; M170-S173 PolarHBondContact O-OG 3.32Å; M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.02Å |
| 171 | V | 90 | Very high | 80.6 | Confident | 31 Ų | 31 | 89.6 Ų | 89.6 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.4 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | T161 D167 A168 Q174 K175 | T161-V171 HydrophobicContact CG2-CG2 4.16Å; D167-V171 WeakPolarHBondContact O-CB 3.49Å; D167-V171 WeakPolarHBondContact O-CG2 3.34Å; D167-V171 PolarHBondContact O-N 3.24Å; A168-V171 PolarHBondContact O-N 2.8Å; V171-Q174 PolarHBondContact O-N 3.18Å; V171-K175 WeakPolarHBondContact O-CG 3.22Å; V171-K175 PolarHBondContact O-N 3.33Å |
| 172 | D | 89.6 | Confident | 78.8 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.1 | -35.4 | 179.4 | -76.1 | -13.1 | 0 | 0 | 0 | 112.9 | A168 M170 Q174 K175 C176 | A168-D172 WeakPolarHBondContact O-CB 3.4Å; A168-D172 PolarHBondContact O-N 3.18Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 2.98Å; D172-Q174 PolarHBondContact O-N 3.03Å; D172-K175 PolarHBondContact O-N 2.88Å; D172-K175 WeakPolarHBondContact OD1-CE 3.25Å; D172-K175 IonicContact OD1-NZ 2.65Å; D172-K175 PolarHBondContact OD1-NZ 2.83Å; D172-C176 PolarHBondContact O-N 2.96Å; D172-C176 VanDerWaalsContact O-N 3.17Å |
| 173 | S | 88.1 | Confident | 77.1 | Confident | 42 Ų | 42 | 96.2 Ų | 96.2 | 29% | 0.294 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 172.4 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | L169 M170 C176 M179 | L169-S173 WeakPolarHBondContact O-CB 3.49Å; L169-S173 PolarHBondContact O-N 3.17Å; L169-S173 PolarHBondContact O-OG 3.32Å; M170-S173 PolarHBondContact O-N 3.13Å; M170-S173 PolarHBondContact O-OG 3.32Å; S173-C176 PolarHBondContact O-N 3.03Å; S173-M179 VanDerWaalsContact O-CG 3.27Å; S173-M179 WeakPolarHBondContact O-CG 3.44Å |
| 174 | Q | 85.9 | Confident | 75.7 | Confident | 127 Ų | 127 | 95.9 Ų | 95.9 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.1 | -32 | 177.7 | -68.5 | 172.9 | 8.5 | 0 | 0 | 112.9 | M170 V171 D172 S177 | M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.02Å; V171-Q174 PolarHBondContact O-N 3.18Å; D172-Q174 PolarHBondContact O-N 3.03Å; Q174-S177 WeakPolarHBondContact O-CB 3.44Å |
| 175 | K | 82.6 | Confident | 74.7 | Confident | 135 Ų | 135 | 96 Ų | 96 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.6 | -39.2 | 173.6 | -67.9 | 170.6 | -167.8 | 158.5 | 0 | 111.6 | V171 D172 S177 | V171-K175 WeakPolarHBondContact O-CG 3.22Å; V171-K175 PolarHBondContact O-N 3.33Å; D172-K175 PolarHBondContact O-N 2.88Å; D172-K175 WeakPolarHBondContact OD1-CE 3.25Å; D172-K175 IonicContact OD1-NZ 2.65Å; D172-K175 PolarHBondContact OD1-NZ 2.83Å; K175-S177 PolarHBondContact O-N 3.32Å |
| 176 | C | 71.6 | Confident | 74 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -79.6 | 55.2 | 175.3 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | D172 S173 D178 | D172-C176 PolarHBondContact O-N 2.96Å; D172-C176 VanDerWaalsContact O-N 3.17Å; S173-C176 PolarHBondContact O-N 3.03Å; C176-D178 PolarHBondContact O-N 3.36Å |
| 177 | S | 54 | Low | 73.1 | Confident | 106 Ų | 106 | 89 Ų | 89 | 74% | 0.741 | 52% | 0.517 | S | S | * | . | trans | -71 | 57 | -167 | 47.2 | 0 | 0 | 0 | 0 | 116 | Q174 K175 | Q174-S177 WeakPolarHBondContact O-CB 3.44Å; K175-S177 PolarHBondContact O-N 3.32Å | ||
| 178 | D | 52.5 | Low | 72.5 | Confident | 120 Ų | 120 | 88 Ų | 88 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | trans | -108.2 | 13.2 | 152.6 | -148.4 | 7.9 | 0 | 0 | 0 | 110.6 | C176 S180 E181 | C176-D178 PolarHBondContact O-N 3.36Å; D178-S180 PolarHBondContact O-N 3.45Å; D178-E181 PolarHBondContact O-N 3.03Å | ||
| 179 | M | 56.1 | Low | 72.3 | Confident | 87 Ų | 87 | 92.3 Ų | 92.3 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -67 | -12.3 | 177.7 | -80.8 | -73.7 | 155.3 | 0 | 0 | 114.3 | S173 E181 L182 S183 | S173-M179 VanDerWaalsContact O-CG 3.27Å; S173-M179 WeakPolarHBondContact O-CG 3.44Å; M179-E181 PolarHBondContact O-N 3.18Å; M179-L182 HydrophobicContact CE-CD1 3.56Å; M179-L182 PolarHBondContact O-N 3.49Å; M179-L182 HydrophobicContact SD-CB 4.04Å; M179-L182 HydrophobicContact SD-CD1 3.56Å; M179-L182 VanDerWaalsContact SD-CD1 3.56Å; M179-L182 HydrophobicContact SD-CG 4.39Å; M179-S183 PolarHBondContact O-N 3.17Å |
| 180 | S | 54.3 | Low | 72.1 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 76% | 0.755 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -63.8 | -23.4 | 175.2 | -158.5 | 0 | 0 | 0 | 0 | 112.1 | D178 | D178-S180 PolarHBondContact O-N 3.45Š|
| 181 | E | 51.2 | Low | 72 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -85.8 | -8.3 | 173.2 | -62.7 | -139.5 | 151.6 | 0 | 0 | 114.1 | D178 M179 P187 | D178-E181 PolarHBondContact O-N 3.03Å; M179-E181 PolarHBondContact O-N 3.18Å; E181-P187 HydrophobicContact CB-CB 3.9Å; E181-P187 HydrophobicContact CB-CG 3.82Å; E181-P187 HydrophobicContact CG-CB 3.9Å; E181-P187 HydrophobicContact CG-CG 4.2Å |
| 182 | L | 53.6 | Low | 72.2 | Confident | 125 Ų | 125 | 107 Ų | 107 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -13.4 | -173.5 | -64.7 | 174.3 | 0 | 0 | 0 | 113.9 | M179 S184 | M179-L182 HydrophobicContact CE-CD1 3.56Å; M179-L182 PolarHBondContact O-N 3.49Å; M179-L182 HydrophobicContact SD-CB 4.04Å; M179-L182 HydrophobicContact SD-CD1 3.56Å; M179-L182 VanDerWaalsContact SD-CD1 3.56Å; M179-L182 HydrophobicContact SD-CG 4.39Å; L182-S184 VanDerWaalsContact C-N 3.31Å |
| 183 | S | 55.9 | Low | 72.4 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -73 | -22.3 | 175.8 | -166.2 | 0 | 0 | 0 | 0 | 113.3 | M179 | M179-S183 PolarHBondContact O-N 3.17Š|
| 184 | S | 58.8 | Low | 72.4 | Confident | 53 Ų | 53 | 114.1 Ų | 114.1 | 37% | 0.371 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -141.7 | 139 | 171.5 | 63.5 | 0 | 0 | 0 | 0 | 111 | L182 P186 | L182-S184 VanDerWaalsContact C-N 3.31Å; S184-P186 CarbonylContact C-O 3.57Å; S184-P186 VanDerWaalsContact C-O 3.26Å; S184-P186 WeakPolarHBondContact CB-O 3.45Å; S184-P186 CarbonylContact O-C 3.21Å; S184-P186 PolarHBondContact OG-O 3.15Å |
| 185 | S | 71.4 | Confident | 72.4 | Confident | 121 Ų | 121 | 115.1 Ų | 115.1 | 85% | 0.846 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -110.1 | 113.6 | 162.5 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 186 | P | 77.3 | Confident | 72.5 | Confident | 63 Ų | 63 | 114.3 Ų | 114.3 | 41% | 0.409 | 64% | 0.644 | S | S | . | * | S | Bend | cis | -73.8 | 158.6 | 4.1 | 32 | -36.1 | 0 | 0 | 0 | 114.1 | S184 Y190 | S184-P186 CarbonylContact C-O 3.57Å; S184-P186 VanDerWaalsContact C-O 3.26Å; S184-P186 WeakPolarHBondContact CB-O 3.45Å; S184-P186 CarbonylContact O-C 3.21Å; S184-P186 PolarHBondContact OG-O 3.15Å; P186-Y190 HydrophobicContact CG-CE1 4.34Å |
| 187 | P | 75.5 | Confident | 72.8 | Confident | 60 Ų | 60 | 113.7 Ų | 113.7 | 39% | 0.39 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -58.1 | 138.6 | 167.4 | -24.9 | 35 | 0 | 0 | 0 | 112.1 | E181 | E181-P187 HydrophobicContact CB-CB 3.9Å; E181-P187 HydrophobicContact CB-CG 3.82Å; E181-P187 HydrophobicContact CG-CB 3.9Å; E181-P187 HydrophobicContact CG-CG 4.2Å |
| 188 | G | 80.4 | Confident | 74.1 | Confident | 42 Ų | 42 | 114.3 Ų | 114.3 | 43% | 0.433 | 63% | 0.629 | S | S | . | * | S | Bend | trans | 79 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 189 | P | 86.7 | Confident | 75.2 | Confident | 114 Ų | 114 | 113.3 Ų | 113.3 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | trans | -76.7 | 147.7 | -177.7 | 31.7 | -35 | 0 | 0 | 0 | 112.3 | H191 | P189-H191 PolarHBondContact O-N 3.13Š| ||
| 190 | Y | 88.8 | Confident | 76 | Confident | 204 Ų | 204 | 117 Ų | 117 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | trans | -62.1 | 125.8 | 169.4 | -70.7 | -88.1 | 0 | 0 | 0 | 111 | P186 | P186-Y190 HydrophobicContact CG-CE1 4.34Š| ||
| 191 | H | 88.6 | Confident | 76.7 | Confident | 136 Ų | 136 | 114.6 Ų | 114.6 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | trans | -129.1 | 162.5 | 175.4 | 59.9 | 80.1 | 0 | 0 | 0 | 111.5 | P189 E193 | P189-H191 PolarHBondContact O-N 3.13Å; H191-E193 PolarHBondContact CE1-O 3.29Å; H191-E193 VanDerWaalsContact CE1-O 3.29Å; H191-E193 PolarHBondContact ND1-N 3.16Å; H191-E193 PolarHBondContact ND1-O 2.87Å | ||
| 192 | Q | 94 | Very high | 77.4 | Confident | 202 Ų | 202 | 118.3 Ų | 118.3 | 94% | 0.944 | 63% | 0.63 | S | S | * | * | trans | -96.5 | -7.3 | 177 | -65.1 | -176.7 | -4.5 | 0 | 0 | 113.3 | ||||
| 193 | E | 91.9 | Very high | 78.2 | Confident | 156 Ų | 156 | 121.2 Ų | 121.2 | 73% | 0.729 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -65.7 | 129.8 | 178.2 | -60.3 | -169.1 | 163.9 | 0 | 0 | 110.7 | H191 | H191-E193 PolarHBondContact CE1-O 3.29Å; H191-E193 VanDerWaalsContact CE1-O 3.29Å; H191-E193 PolarHBondContact ND1-N 3.16Å; H191-E193 PolarHBondContact ND1-O 2.87Å |
| 194 | P | 88.3 | Confident | 79.5 | Confident | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 141.1 | -180 | 29.1 | -34.5 | 0 | 0 | 0 | 111.1 | V196 | P194-V196 PolarHBondContact O-N 3.43Š|
| 195 | Y | 85.9 | Confident | 80.8 | Confident | 148 Ų | 148 | 125.8 Ų | 125.8 | 58% | 0.58 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.5 | 177.8 | -174 | -107.3 | 0 | 0 | 0 | 112.1 | K198 E201 | Y195-K198 WeakPolarHBondContact OH-CE 3.36Å; Y195-E201 WeakPolarHBondContact CE1-OE2 3.44Å; Y195-E201 PolarHBondContact OH-OE1 3.1Å; Y195-E201 PolarHBondContact OH-OE2 2.8Å |
| 196 | V | 85.9 | Confident | 81.8 | Confident | 119 Ų | 119 | 125.3 Ų | 125.3 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | trans | -91.7 | 109.5 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | P194 K198 | P194-V196 PolarHBondContact O-N 3.43Å; V196-K198 PolarHBondContact O-N 2.79Å | ||
| 197 | C | 77.9 | Confident | 82.6 | Confident | 79 Ų | 79 | 128.3 Ų | 128.3 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | trans | -60.1 | 119.9 | 179.8 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 198 | K | 80.6 | Confident | 83.6 | Confident | 120 Ų | 120 | 133.2 Ų | 133.2 | 52% | 0.522 | 68% | 0.684 | S | S | . | * | trans | -75.5 | 148.8 | 178.4 | -59.8 | 173.7 | -165.9 | 150.7 | 0 | 110.6 | Y195 V196 E200 E201 R202 | Y195-K198 WeakPolarHBondContact OH-CE 3.36Å; V196-K198 PolarHBondContact O-N 2.79Å; K198-E200 PolarHBondContact O-N 2.7Å; K198-E201 HydrophobicContact CB-CG 4.42Å; K198-E201 IonicContact NZ-OE1 3.64Å; K198-E201 PolarHBondContact O-N 2.93Å; K198-R202 PolarHBondContact O-N 3.39Å | ||
| 199 | T | 75.1 | Confident | 84.3 | Confident | 98 Ų | 98 | 136.1 Ų | 136.1 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -55.3 | -37.3 | 179.7 | -49.9 | 0 | 0 | 0 | 0 | 112.9 | E201 R202 | T199-E201 VanDerWaalsContact C-N 3.3Å; T199-E201 PolarHBondContact O-N 3.17Å; T199-R202 VanDerWaalsContact O-CB 3.32Å; T199-R202 WeakPolarHBondContact O-CB 3.31Å; T199-R202 PolarHBondContact O-N 3.15Å |
| 200 | E | 72.9 | Confident | 84.8 | Confident | 165 Ų | 165 | 133.7 Ų | 133.7 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -65.4 | -26.8 | 176.8 | -57.4 | -56.2 | 140.4 | 0 | 0 | 114.1 | K198 | K198-E200 PolarHBondContact O-N 2.7Š|
| 201 | E | 70.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 128.1 Ų | 128.1 | 27% | 0.266 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -91.3 | -14.2 | -177.5 | -69.5 | 164.8 | -169.6 | 0 | 0 | 112.5 | Y195 K198 T199 F203 K204 | Y195-E201 WeakPolarHBondContact CE1-OE2 3.44Å; Y195-E201 PolarHBondContact OH-OE1 3.1Å; Y195-E201 PolarHBondContact OH-OE2 2.8Å; K198-E201 HydrophobicContact CB-CG 4.42Å; K198-E201 IonicContact NZ-OE1 3.64Å; K198-E201 PolarHBondContact O-N 2.93Å; T199-E201 VanDerWaalsContact C-N 3.3Å; T199-E201 PolarHBondContact O-N 3.17Å; E201-F203 PolarHBondContact O-N 3.2Å; E201-K204 WeakPolarHBondContact O-CB 3.49Å; E201-K204 PolarHBondContact O-N 3.39Å |
| 202 | R | 64.3 | Low | 85.6 | Confident | 192 Ų | 192 | 125.7 Ų | 125.7 | 73% | 0.725 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -14.5 | -171.8 | -148.9 | 176.1 | -160.2 | 165.1 | 6.7 | 114.8 | K198 T199 | K198-R202 PolarHBondContact O-N 3.39Å; T199-R202 VanDerWaalsContact O-CB 3.32Å; T199-R202 WeakPolarHBondContact O-CB 3.31Å; T199-R202 PolarHBondContact O-N 3.15Å |
| 203 | F | 70.1 | Confident | 85.7 | Confident | 185 Ų | 185 | 117.4 Ų | 117.4 | 81% | 0.811 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -0.4 | 179 | -58.1 | -75.3 | 0 | 0 | 0 | 113.8 | E201 S205 | E201-F203 PolarHBondContact O-N 3.2Å; F203-S205 PolarHBondContact O-N 3.06Å |
| 204 | K | 83.9 | Confident | 85.9 | Confident | 164 Ų | 164 | 115.8 Ų | 115.8 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | trans | -84.2 | 107.2 | 175.7 | -62.9 | -177.5 | -177.9 | 177.4 | 0 | 109.6 | E201 | E201-K204 WeakPolarHBondContact O-CB 3.49Å; E201-K204 PolarHBondContact O-N 3.39Å | ||
| 205 | S | 87.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 115 Ų | 115 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 147.9 | 169.2 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | F203 | F203-S205 PolarHBondContact O-N 3.06Š|
| 206 | P | 90.9 | Very high | 86.6 | Confident | 112 Ų | 112 | 109.4 Ų | 109.4 | 73% | 0.727 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 152.9 | 172.2 | 27 | -35.2 | 0 | 0 | 0 | 111.2 | ||
| 207 | P | 94.1 | Very high | 87 | Confident | 126 Ų | 126 | 104 Ų | 104 | 82% | 0.818 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 144.7 | 178.7 | 26.6 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 208 | I | 96.9 | Very high | 87.8 | Confident | 163 Ų | 163 | 103.6 Ų | 103.6 | 84% | 0.836 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 134.4 | 176.4 | -59.8 | 171.5 | 0 | 0 | 0 | 109 | P210 | I208-P210 WeakPolarHBondContact O-CD 3.4Š|
| 209 | L | 96.3 | Very high | 88.5 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 121.6 | 178.2 | 179.6 | 67.2 | 0 | 0 | 0 | 111 | L213 L214 | L209-L213 HydrophobicContact CD1-CB 4.38Å; L209-L213 HydrophobicContact CD1-CD1 3.97Å; L209-L214 HydrophobicContact CD2-CD2 3.76Å; L209-L214 HydrophobicContact CD2-CG 4.3Å |
| 210 | P | 97.3 | Very high | 89.3 | Confident | 62 Ų | 62 | 103.4 Ų | 103.4 | 40% | 0.403 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 126.6 | 176.1 | -25 | 35.5 | 0 | 0 | 0 | 111 | I208 H212 L213 | I208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-H212 PolarHBondContact O-N 3.33Å; P210-L213 PolarHBondContact O-N 2.97Å |
| 211 | P | 97.1 | Very high | 90.1 | Very high | 87 Ų | 87 | 103.6 Ų | 103.6 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -64.3 | -18.4 | -173.2 | 25.1 | -35.1 | 0 | 0 | 0 | 113.5 | L213 L214 | P211-L213 PolarHBondContact O-N 3.48Å; P211-L214 WeakPolarHBondContact O-CB 3.49Å; P211-L214 PolarHBondContact O-N 3.05Å; P211-L214 VanDerWaalsContact O-N 3.17Å |
| 212 | H | 96.7 | Very high | 91 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 39% | 0.394 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -57 | -34.5 | 172.1 | -61.1 | 103.9 | 0 | 0 | 0 | 113.1 | P210 L214 Q215 | P210-H212 PolarHBondContact O-N 3.33Å; H212-L214 PolarHBondContact O-N 2.91Å; H212-Q215 WeakPolarHBondContact O-CB 3.29Å; H212-Q215 PolarHBondContact O-N 2.86Å |
| 213 | L | 96.6 | Very high | 92.1 | Very high | 29 Ų | 29 | 96.6 Ų | 96.6 | 15% | 0.152 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -72.2 | -16.5 | -179.2 | -61 | -176.9 | 0 | 0 | 0 | 113.1 | L209 P210 P211 Q215 M238 H241 Y243 | L209-L213 HydrophobicContact CD1-CB 4.38Å; L209-L213 HydrophobicContact CD1-CD1 3.97Å; P210-L213 PolarHBondContact O-N 2.97Å; P211-L213 PolarHBondContact O-N 3.48Å; L213-Q215 VanDerWaalsContact C-N 3.29Å; L213-M238 HydrophobicContact CD2-CB 4.35Å; L213-H241 HydrophobicContact CD2-CB 4.45Å; L213-Y243 WeakPolarHBondContact O-CE1 3.41Å; L213-Y243 PolarHBondContact O-OH 3.49Å |
| 214 | L | 96.1 | Very high | 93 | Very high | 121 Ų | 121 | 96.6 Ų | 96.6 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -78.2 | -12.8 | 174 | -57.6 | 174.6 | 0 | 0 | 0 | 112.7 | L209 P211 H212 V216 | L209-L214 HydrophobicContact CD2-CD2 3.76Å; L209-L214 HydrophobicContact CD2-CG 4.3Å; P211-L214 WeakPolarHBondContact O-CB 3.49Å; P211-L214 PolarHBondContact O-N 3.05Å; P211-L214 VanDerWaalsContact O-N 3.17Å; H212-L214 PolarHBondContact O-N 2.91Å; L214-V216 VanDerWaalsContact C-N 3.29Å; L214-V216 PolarHBondContact O-N 3.46Å |
| 215 | Q | 93.3 | Very high | 93.4 | Very high | 98 Ų | 98 | 94.8 Ų | 94.8 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | trans | -85.3 | 64 | -178.4 | -59 | -171 | 10.6 | 0 | 0 | 112.2 | H212 L213 I217 | H212-Q215 WeakPolarHBondContact O-CB 3.29Å; H212-Q215 PolarHBondContact O-N 2.86Å; L213-Q215 VanDerWaalsContact C-N 3.29Å; Q215-I217 PolarHBondContact O-N 2.84Å | ||
| 216 | V | 94.4 | Very high | 93.6 | Very high | 32 Ų | 32 | 92.6 Ų | 92.6 | 19% | 0.194 | 53% | 0.528 | C | S | . | . | trans | -55.8 | 118.9 | -178.7 | -170.9 | 0 | 0 | 0 | 0 | 111 | L214 L218 N219 Y243 | L214-V216 VanDerWaalsContact C-N 3.29Å; L214-V216 PolarHBondContact O-N 3.46Å; V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 HydrophobicContact CG1-CB 4.41Å; V216-L218 PolarHBondContact O-N 3.39Å; V216-N219 HydrophobicContact CB-CB 4.06Å; V216-N219 HydrophobicContact CG1-CB 4.38Å; V216-N219 PolarHBondContact O-N 2.91Å; V216-N219 VanDerWaalsContact O-N 3.17Å; V216-Y243 HydrophobicContact CB-CD1 4.42Å; V216-Y243 HydrophobicContact CB-CE1 4.41Å; V216-Y243 HydrophobicContact CG1-CD1 4.02Å; V216-Y243 HydrophobicContact CG1-CE1 4.43Å; V216-Y243 HydrophobicContact CG1-CG 4.44Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.78Å | ||
| 217 | I | 95.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 91.8 Ų | 91.8 | 3% | 0.031 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -64.4 | -34.9 | -176.6 | -173.3 | 164.3 | 0 | 0 | 0 | 113 | Q215 N219 K220 L231 P232 P234 M238 T266 | Q215-I217 PolarHBondContact O-N 2.84Å; I217-N219 PolarHBondContact O-N 2.94Å; I217-K220 PolarHBondContact O-N 2.81Å; I217-L231 HydrophobicContact CD1-CB 4.03Å; I217-L231 HydrophobicContact CD1-CD1 4.42Å; I217-L231 HydrophobicContact CG1-CB 4.28Å; I217-L231 HydrophobicContact CG1-CD1 4.43Å; I217-P232 HydrophobicContact CD1-CG 4.4Å; I217-P232 VanDerWaalsContact CD1-O 3.31Å; I217-P232 WeakPolarHBondContact CD1-O 3.44Å; I217-P232 HydrophobicContact CG1-CG 4.16Å; I217-P234 HydrophobicContact CD1-CB 3.95Å; I217-M238 HydrophobicContact CB-CE 3.95Å; I217-M238 HydrophobicContact CB-SD 4.37Å; I217-M238 HydrophobicContact CG2-CE 3.95Å; I217-T266 HydrophobicContact CG2-CG2 4.43Å |
| 218 | L | 95.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 91.5 Ų | 91.5 | 37% | 0.366 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -74.9 | -11 | 178.1 | -62.3 | 177.8 | 0 | 0 | 0 | 113.8 | V216 L231 T266 L268 | V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 HydrophobicContact CG1-CB 4.41Å; V216-L218 PolarHBondContact O-N 3.39Å; L218-L231 HydrophobicContact CD2-CD1 3.85Å; L218-L231 HydrophobicContact CD2-CD2 4.2Å; L218-T266 HydrophobicContact CD1-CG2 4.06Å; L218-T266 HydrophobicContact CD2-CG2 3.89Å; L218-T266 HydrophobicContact CG-CG2 4.06Å; L218-L268 HydrophobicContact CD1-CD1 3.94Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.22Å; L218-L268 HydrophobicContact CD2-CD1 4.42Å |
| 219 | N | 94.8 | Very high | 93.7 | Very high | 119 Ų | 119 | 87.7 Ų | 87.7 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -97.1 | 6.9 | 175.4 | -62.4 | 4 | 0 | 0 | 0 | 112 | V216 I217 | V216-N219 HydrophobicContact CB-CB 4.06Å; V216-N219 HydrophobicContact CG1-CB 4.38Å; V216-N219 PolarHBondContact O-N 2.91Å; V216-N219 VanDerWaalsContact O-N 3.17Å; I217-N219 PolarHBondContact O-N 2.94Å |
| 220 | K | 91.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 87.6 Ų | 87.6 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -97.4 | 123.6 | 176.4 | -64.6 | -177.9 | 179.9 | -178.7 | 0 | 109 | I217 T222 P232 | I217-K220 PolarHBondContact O-N 2.81Å; K220-T222 PolarHBondContact O-N 3.37Å; K220-P232 HydrophobicContact CD-CG 4.41Å |
| 221 | D | 90.5 | Very high | 93.6 | Very high | 168 Ų | 168 | 88 Ų | 88 | 90% | 0.898 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 134.4 | 172.8 | -60.7 | -56.6 | 0 | 0 | 0 | 110.7 | ||
| 222 | T | 89.3 | Confident | 93.5 | Very high | 57 Ų | 57 | 86.6 Ų | 86.6 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 154.6 | 171.2 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | K220 I224 | K220-T222 PolarHBondContact O-N 3.37Å; T222-I224 PolarHBondContact O-N 3.1Å |
| 223 | G | 87.4 | Confident | 93.5 | Very high | 45 Ų | 45 | 89.8 Ų | 89.8 | 46% | 0.464 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 132.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | S225 C226 | G223-S225 PolarHBondContact O-N 3.27Å; G223-C226 PolarHBondContact O-N 3.15Å; G223-C226 PolarHBondContact O-SG 3.42Å |
| 224 | I | 89.1 | Confident | 93.5 | Very high | 186 Ų | 186 | 88.9 Ų | 88.9 | 95% | 0.954 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -18.6 | -176 | -52.4 | 161.9 | 0 | 0 | 0 | 112.8 | T222 | T222-I224 PolarHBondContact O-N 3.1Š|
| 225 | S | 91.8 | Very high | 93.5 | Very high | 126 Ų | 126 | 86 Ų | 86 | 88% | 0.881 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 115.9 | G223 | G223-S225 PolarHBondContact O-N 3.27Š|
| 226 | C | 91.9 | Very high | 93.7 | Very high | 55 Ų | 55 | 87.6 Ų | 87.6 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -104.8 | 163.1 | 179.2 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | G223 | G223-C226 PolarHBondContact O-N 3.15Å; G223-C226 PolarHBondContact O-SG 3.42Å |
| 227 | D | 94.6 | Very high | 93.9 | Very high | 94 Ų | 94 | 88.7 Ų | 88.7 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | trans | -61.2 | 127.1 | 177.2 | 174.5 | -13.9 | 0 | 0 | 0 | 110.2 | A229 L230 | D227-A229 PolarHBondContact O-N 2.76Å; D227-A229 WeakPolarHBondContact OD1-CB 3.48Å; D227-A229 PolarHBondContact OD1-N 2.93Å; D227-L230 HydrophobicContact CB-CD1 3.87Å; D227-L230 HydrophobicContact CB-CG 3.93Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.73Å | ||
| 228 | P | 93.7 | Very high | 94 | Very high | 120 Ų | 120 | 88.6 Ų | 88.6 | 78% | 0.779 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.4 | -179.8 | -26.5 | 35.1 | 0 | 0 | 0 | 115.7 | L230 | P228-L230 VanDerWaalsContact C-N 3.32Š|
| 229 | A | 94.7 | Very high | 94.1 | Very high | 83 Ų | 83 | 86 Ų | 86 | 69% | 0.686 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D227 | D227-A229 PolarHBondContact O-N 2.76Å; D227-A229 WeakPolarHBondContact OD1-CB 3.48Å; D227-A229 PolarHBondContact OD1-N 2.93Å |
| 230 | L | 95.6 | Very high | 94.2 | Very high | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | trans | -86.5 | 131.7 | 178.8 | -63.5 | 177.4 | 0 | 0 | 0 | 111.4 | D227 P228 | D227-L230 HydrophobicContact CB-CD1 3.87Å; D227-L230 HydrophobicContact CB-CG 3.93Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.73Å; P228-L230 VanDerWaalsContact C-N 3.32Å | ||
| 231 | L | 96 | Very high | 94.5 | Very high | 70 Ų | 70 | 85.3 Ų | 85.3 | 37% | 0.366 | 49% | 0.491 | S | S | . | . | trans | -113.4 | 155.1 | 173.3 | -65.3 | 175.1 | 0 | 0 | 0 | 109.9 | I217 L218 T266 | I217-L231 HydrophobicContact CD1-CB 4.03Å; I217-L231 HydrophobicContact CD1-CD1 4.42Å; I217-L231 HydrophobicContact CG1-CB 4.28Å; I217-L231 HydrophobicContact CG1-CD1 4.43Å; L218-L231 HydrophobicContact CD2-CD1 3.85Å; L218-L231 HydrophobicContact CD2-CD2 4.2Å; L231-T266 HydrophobicContact CD1-CG2 4.26Å; L231-T266 WeakPolarHBondContact CD1-OG1 3.38Å | ||
| 232 | P | 95.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 83.1 Ų | 83.1 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 164.7 | 172.3 | 28.4 | -36.1 | 0 | 0 | 0 | 111.7 | I217 K220 P234 | I217-P232 HydrophobicContact CD1-CG 4.4Å; I217-P232 VanDerWaalsContact CD1-O 3.31Å; I217-P232 WeakPolarHBondContact CD1-O 3.44Å; I217-P232 HydrophobicContact CG1-CG 4.16Å; K220-P232 HydrophobicContact CD-CG 4.41Å; P232-P234 WeakPolarHBondContact O-CD 3.37Å |
| 233 | E | 95.9 | Very high | 95.3 | Very high | 151 Ų | 151 | 82.1 Ų | 82.1 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -64 | 124.7 | 176.7 | -176.6 | 164.1 | -162.7 | 0 | 0 | 111.2 | Y264 | E233-Y264 HydrophobicContact CG-CD2 4.42Å; E233-Y264 HydrophobicContact CG-CE2 3.74Å; E233-Y264 VanDerWaalsContact OE1-CE2 3.29Å; E233-Y264 WeakPolarHBondContact OE1-CE2 3.19Å; E233-Y264 PolarHBondContact OE1-OH 3.24Å |
| 234 | P | 97.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 83.2 Ų | 83.2 | 7% | 0.065 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 151 | 176.4 | 30.5 | -36 | 0 | 0 | 0 | 111.6 | I217 P232 M238 L239 T257 Y264 | I217-P234 HydrophobicContact CD1-CB 3.95Å; P232-P234 WeakPolarHBondContact O-CD 3.37Å; P234-M238 HydrophobicContact CB-CG 4.22Å; P234-M238 HydrophobicContact CB-SD 4.05Å; P234-L239 HydrophobicContact CB-CD2 4.16Å; P234-L239 HydrophobicContact CG-CD2 3.92Å; P234-T257 HydrophobicContact CB-CG2 4.26Å; P234-T257 HydrophobicContact CG-CG2 4.04Å; P234-Y264 HydrophobicContact CG-CD1 3.63Å; P234-Y264 HydrophobicContact CG-CD2 3.93Å; P234-Y264 HydrophobicContact CG-CE1 4.08Å; P234-Y264 HydrophobicContact CG-CE2 4.36Å; P234-Y264 HydrophobicContact CG-CG 3.52Å |
| 235 | N | 96.9 | Very high | 96.1 | Very high | 61 Ų | 61 | 79.5 Ų | 79.5 | 33% | 0.326 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.4 | 167 | -170.5 | -31.1 | 0 | 0 | 0 | 109.4 | V237 M238 | N235-V237 PolarHBondContact O-N 3.28Å; N235-V237 VanDerWaalsContact O-N 3.13Å; N235-V237 PolarHBondContact OD1-N 3.08Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; N235-M238 VanDerWaalsContact O-CG 3.25Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 2.88Å; N235-M238 VanDerWaalsContact O-N 3.15Å |
| 236 | H | 97.4 | Very high | 96.3 | Very high | 131 Ų | 131 | 78.5 Ų | 78.5 | 61% | 0.606 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -58.4 | -28.4 | 179 | 70.9 | -85.1 | 0 | 0 | 0 | 113.3 | M238 L239 | H236-M238 PolarHBondContact O-N 2.91Å; H236-L239 HydrophobicContact CB-CD1 4.43Å; H236-L239 WeakPolarHBondContact O-CB 3.37Å; H236-L239 WeakPolarHBondContact O-CG 3.4Å; H236-L239 PolarHBondContact O-N 2.84Å |
| 237 | V | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 80.5 Ų | 80.5 | 33% | 0.333 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -70.3 | -25.9 | 180 | -176.9 | 0 | 0 | 0 | 0 | 113.2 | N235 L239 H241 | N235-V237 PolarHBondContact O-N 3.28Å; N235-V237 VanDerWaalsContact O-N 3.13Å; N235-V237 PolarHBondContact OD1-N 3.08Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; V237-L239 VanDerWaalsContact C-N 3.35Å; V237-H241 PolarHBondContact O-CD2 3.07Å; V237-H241 PolarHBondContact O-NE2 3.03Å |
| 238 | M | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 83.3 Ų | 83.3 | 2% | 0.02 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -88.8 | -1.3 | 179.7 | 72.2 | 174.7 | -56.7 | 0 | 0 | 113.8 | L213 I217 P234 N235 H236 Y243 | L213-M238 HydrophobicContact CD2-CB 4.35Å; I217-M238 HydrophobicContact CB-CE 3.95Å; I217-M238 HydrophobicContact CB-SD 4.37Å; I217-M238 HydrophobicContact CG2-CE 3.95Å; P234-M238 HydrophobicContact CB-CG 4.22Å; P234-M238 HydrophobicContact CB-SD 4.05Å; N235-M238 VanDerWaalsContact O-CG 3.25Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 2.88Å; N235-M238 VanDerWaalsContact O-N 3.15Å; H236-M238 PolarHBondContact O-N 2.91Å; M238-Y243 HydrophobicContact CE-CE2 3.83Å |
| 239 | L | 97.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 85.4 Ų | 85.4 | 9% | 0.089 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 148.5 | 178.7 | -58.4 | 175.4 | 0 | 0 | 0 | 110.5 | P234 H236 V237 H241 T257 R259 Y264 | P234-L239 HydrophobicContact CB-CD2 4.16Å; P234-L239 HydrophobicContact CG-CD2 3.92Å; H236-L239 HydrophobicContact CB-CD1 4.43Å; H236-L239 WeakPolarHBondContact O-CB 3.37Å; H236-L239 WeakPolarHBondContact O-CG 3.4Å; H236-L239 PolarHBondContact O-N 2.84Å; V237-L239 VanDerWaalsContact C-N 3.35Å; L239-H241 PolarHBondContact O-CD2 3.43Å; L239-H241 PolarHBondContact O-N 2.9Å; L239-T257 WeakPolarHBondContact CA-O 3.39Å; L239-T257 HydrophobicContact CD2-CG2 3.6Å; L239-R259 HydrophobicContact CD1-CB 4.19Å; L239-Y264 HydrophobicContact CD1-CD1 4.22Å; L239-Y264 HydrophobicContact CD1-CE1 3.97Å; L239-Y264 HydrophobicContact CD2-CD1 3.96Å; L239-Y264 HydrophobicContact CD2-CE1 4.41Å |
| 240 | N | 97.6 | Very high | 96.5 | Very high | 119 Ų | 119 | 83.5 Ų | 83.5 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 2.5 | -176.9 | -43.6 | -32.7 | 0 | 0 | 0 | 115 | T257 H258 | N240-T257 PolarHBondContact N-O 2.89Å; N240-H258 PolarHBondContact OD1-CD2 3.22Å |
| 241 | H | 98 | Very high | 96.5 | Very high | 80 Ų | 80 | 81 Ų | 81 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | trans | -81.4 | 137.5 | 169.8 | -74.2 | -88.7 | 0 | 0 | 0 | 111 | L213 V237 L239 Y243 | L213-H241 HydrophobicContact CD2-CB 4.45Å; V237-H241 PolarHBondContact O-CD2 3.07Å; V237-H241 PolarHBondContact O-NE2 3.03Å; L239-H241 PolarHBondContact O-CD2 3.43Å; L239-H241 PolarHBondContact O-N 2.9Å; H241-Y243 HydrophobicContact CB-CE2 4.18Å | ||
| 242 | L | 98 | Very high | 96.6 | Very high | 121 Ų | 121 | 80.7 Ų | 80.7 | 63% | 0.634 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.8 | 177.6 | -172.3 | 69.6 | 0 | 0 | 0 | 110.6 | L254 | L242-L254 HydrophobicContact CD1-CB 4.17Å; L242-L254 HydrophobicContact CD1-CD2 4.41Å; L242-L254 HydrophobicContact CD2-CD2 4.35Å |
| 243 | Y | 97.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 78.9 Ų | 78.9 | 15% | 0.145 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.1 | 167.7 | -66.1 | -84.2 | 0 | 0 | 0 | 108.8 | L213 V216 M238 H241 S255 | L213-Y243 WeakPolarHBondContact O-CE1 3.41Å; L213-Y243 PolarHBondContact O-OH 3.49Å; V216-Y243 HydrophobicContact CB-CD1 4.42Å; V216-Y243 HydrophobicContact CB-CE1 4.41Å; V216-Y243 HydrophobicContact CG1-CD1 4.02Å; V216-Y243 HydrophobicContact CG1-CE1 4.43Å; V216-Y243 HydrophobicContact CG1-CG 4.44Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.78Å; M238-Y243 HydrophobicContact CE-CE2 3.83Å; H241-Y243 HydrophobicContact CB-CE2 4.18Å; Y243-S255 PolarHBondContact N-O 3.08Å; Y243-S255 PolarHBondContact O-N 3.33Å; Y243-S255 VanDerWaalsContact O-O 3.13Å |
| 244 | A | 97.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 56% | 0.562 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | V253 L254 | A244-V253 WeakPolarHBondContact CA-O 3.26Å; A244-L254 HydrophobicContact CB-CD2 3.7Å |
| 245 | L | 96.3 | Very high | 96.8 | Very high | 108 Ų | 108 | 73.8 Ų | 73.8 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 152.4 | 164.4 | -65.4 | 175.2 | 0 | 0 | 0 | 109.5 | I247 V253 | L245-I247 PolarHBondContact O-N 2.83Å; L245-V253 HydrophobicContact CB-CB 4.3Å; L245-V253 HydrophobicContact CD1-CB 4.29Å; L245-V253 HydrophobicContact CD1-CG1 4.27Å; L245-V253 PolarHBondContact N-O 2.89Å; L245-V253 VanDerWaalsContact N-O 3.1Å |
| 246 | S | 96.3 | Very high | 96.9 | Very high | 105 Ų | 105 | 71.5 Ų | 71.5 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 128.8 | 168.8 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | K248 | S246-K248 PolarHBondContact O-N 3.16Å |
| 247 | I | 95.8 | Very high | 96.9 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 132.5 | 179.3 | -64.4 | 158.3 | 0 | 0 | 0 | 109.8 | L245 M252 I273 | L245-I247 PolarHBondContact O-N 2.83Å; I247-M252 HydrophobicContact CD1-CE 4.29Å; I247-M252 HydrophobicContact CG1-CB 4.45Å; I247-M252 HydrophobicContact CG1-CG 4.44Å; I247-I273 HydrophobicContact CB-CD1 4.34Å; I247-I273 HydrophobicContact CD1-CD1 3.59Å; I247-I273 HydrophobicContact CG1-CD1 3.86Å; I247-I273 HydrophobicContact CG2-CD1 3.52Å |
| 248 | K | 94.4 | Very high | 97 | Very high | 153 Ų | 153 | 67 Ų | 67 | 67% | 0.665 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 148.3 | 174.6 | -67.7 | -177.8 | -177.5 | -178.9 | 0 | 109.1 | S246 G250 V251 | S246-K248 PolarHBondContact O-N 3.16Å; K248-G250 PolarHBondContact O-N 2.81Å; K248-V251 PolarHBondContact N-O 3.32Å; K248-V251 PolarHBondContact O-N 3.18Å |
| 249 | D | 94.4 | Very high | 97.1 | Very high | 165 Ų | 165 | 72.3 Ų | 72.3 | 88% | 0.882 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 33.6 | 172.4 | -48.3 | -43.6 | 0 | 0 | 0 | 114.8 | V251 | D249-V251 VanDerWaalsContact C-N 3.27Å; D249-V251 PolarHBondContact O-N 3.09Å |
| 250 | G | 94.6 | Very high | 97.1 | Very high | 43 Ų | 43 | 78.8 Ų | 78.8 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 8.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K248 P272 I273 | K248-G250 PolarHBondContact O-N 2.81Å; G250-P272 WeakPolarHBondContact O-CA 3.3Å; G250-I273 PolarHBondContact O-N 3.45Å |
| 251 | V | 97 | Very high | 97.1 | Very high | 48 Ų | 48 | 80.8 Ų | 80.8 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.9 | -177.8 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | K248 D249 V253 Y270 | K248-V251 PolarHBondContact N-O 3.32Å; K248-V251 PolarHBondContact O-N 3.18Å; D249-V251 VanDerWaalsContact C-N 3.27Å; D249-V251 PolarHBondContact O-N 3.09Å; V251-V253 HydrophobicContact CG1-CG2 4.42Å; V251-Y270 HydrophobicContact CG1-CD1 4.14Å |
| 252 | M | 96.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 86.3 Ų | 86.3 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.2 | 166.8 | -171.3 | -177.5 | -68.3 | 0 | 0 | 109.7 | I247 L254 Y270 K271 I273 | I247-M252 HydrophobicContact CD1-CE 4.29Å; I247-M252 HydrophobicContact CG1-CB 4.45Å; I247-M252 HydrophobicContact CG1-CG 4.44Å; M252-L254 HydrophobicContact CG-CD2 4.02Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.92Å; M252-L254 HydrophobicContact SD-CD2 3.93Å; M252-L254 HydrophobicContact SD-CG 3.93Å; M252-Y270 WeakPolarHBondContact O-CA 3.46Å; M252-K271 PolarHBondContact N-O 2.83Å; M252-K271 PolarHBondContact O-N 2.92Å; M252-I273 HydrophobicContact CB-CD1 4.1Å; M252-I273 HydrophobicContact CB-CG1 4.1Å; M252-I273 HydrophobicContact CE-CD1 4.18Å |
| 253 | V | 97.8 | Very high | 97 | Very high | 20 Ų | 20 | 88.1 Ų | 88.1 | 12% | 0.121 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.3 | 173.9 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | A244 L245 V251 L269 Y270 | A244-V253 WeakPolarHBondContact CA-O 3.26Å; L245-V253 HydrophobicContact CB-CB 4.3Å; L245-V253 HydrophobicContact CD1-CB 4.29Å; L245-V253 HydrophobicContact CD1-CG1 4.27Å; L245-V253 PolarHBondContact N-O 2.89Å; L245-V253 VanDerWaalsContact N-O 3.1Å; V251-V253 HydrophobicContact CG1-CG2 4.42Å; V253-L269 WeakPolarHBondContact CA-O 3.43Å; V253-Y270 HydrophobicContact CB-CD1 4.43Å; V253-Y270 HydrophobicContact CB-CE1 4.29Å; V253-Y270 HydrophobicContact CG1-CD1 4.17Å; V253-Y270 HydrophobicContact CG1-CD2 4.35Å; V253-Y270 HydrophobicContact CG1-CE1 3.79Å; V253-Y270 HydrophobicContact CG1-CE2 3.99Å; V253-Y270 HydrophobicContact CG1-CG 4.42Å; V253-Y270 HydrophobicContact CG2-CD1 3.53Å; V253-Y270 HydrophobicContact CG2-CE1 3.46Å; V253-Y270 VanDerWaalsContact CG2-CE1 3.46Å; V253-Y270 HydrophobicContact CG2-CG 4.36Å |
| 254 | L | 97.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 89.3 Ų | 89.3 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.2 | 179.1 | -62.5 | -177.3 | 0 | 0 | 0 | 110.3 | L242 A244 M252 L268 L269 | L242-L254 HydrophobicContact CD1-CB 4.17Å; L242-L254 HydrophobicContact CD1-CD2 4.41Å; L242-L254 HydrophobicContact CD2-CD2 4.35Å; A244-L254 HydrophobicContact CB-CD2 3.7Å; M252-L254 HydrophobicContact CG-CD2 4.02Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.92Å; M252-L254 HydrophobicContact SD-CD2 3.93Å; M252-L254 HydrophobicContact SD-CG 3.93Å; L254-L268 CarbonylContact O-C 3.6Å; L254-L268 WeakPolarHBondContact O-CA 3.26Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 3.06Å |
| 255 | S | 98 | Very high | 97.1 | Very high | 11 Ų | 11 | 89.9 Ų | 89.9 | 8% | 0.077 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148 | 173.6 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | Y243 T266 T267 | Y243-S255 PolarHBondContact N-O 3.08Å; Y243-S255 PolarHBondContact O-N 3.33Å; Y243-S255 VanDerWaalsContact O-O 3.13Å; S255-T266 WeakPolarHBondContact OG-CG2 3.42Å; S255-T267 WeakPolarHBondContact CA-O 3.44Å; S255-T267 WeakPolarHBondContact CB-O 3.44Å; S255-T267 PolarHBondContact OG-O 3.49Å |
| 256 | A | 98.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 86.1 Ų | 86.1 | 11% | 0.107 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T267 | A256-T267 PolarHBondContact N-O 3.21Å; A256-T267 PolarHBondContact O-N 3.01Å; A256-T267 VanDerWaalsContact O-N 3.08Å |
| 257 | T | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.6 | 175.7 | -49.6 | 0 | 0 | 0 | 0 | 109.8 | P234 L239 N240 V265 T266 | P234-T257 HydrophobicContact CB-CG2 4.26Å; P234-T257 HydrophobicContact CG-CG2 4.04Å; L239-T257 WeakPolarHBondContact CA-O 3.39Å; L239-T257 HydrophobicContact CD2-CG2 3.6Å; N240-T257 PolarHBondContact N-O 2.89Å; T257-V265 WeakPolarHBondContact CA-O 3.35Å; T257-T266 PolarHBondContact OG1-OG1 2.96Å |
| 258 | H | 98.3 | Very high | 97.4 | Very high | 89 Ų | 89 | 83.9 Ų | 83.9 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.5 | -179.7 | -63.2 | 97.5 | 0 | 0 | 0 | 111.1 | N240 Y264 V265 | N240-H258 PolarHBondContact OD1-CD2 3.22Å; H258-Y264 WeakPolarHBondContact O-CA 3.49Å; H258-V265 PolarHBondContact N-O 2.94Å; H258-V265 PolarHBondContact O-N 2.9Å |
| 259 | R | 98.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 81.3 Ų | 81.3 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | 173.9 | -176 | -171.3 | -67.7 | -89.3 | 1.1 | 109.9 | L239 K261 K263 Y264 | L239-R259 HydrophobicContact CD1-CB 4.19Å; R259-K261 WeakPolarHBondContact CG-O 3.26Å; R259-K263 CarbonylContact C-O 3.58Å; R259-K263 WeakPolarHBondContact CA-O 3.29Å; R259-Y264 HydrophobicContact CB-CD1 4.29Å; R259-Y264 HydrophobicContact CB-CE1 4.48Å; R259-Y264 HydrophobicContact CG-CD1 4.37Å; R259-Y264 HydrophobicContact CG-CE1 4.26Å; R259-Y264 VanDerWaalsContact CZ-CE1 3.4Å; R259-Y264 PolarHBondContact NH1-OH 3.04Å; R259-Y264 PolarHBondContact NH2-OH 2.78Å |
| 260 | Y | 97.9 | Very high | 97.8 | Very high | 154 Ų | 154 | 80.5 Ų | 80.5 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 108.5 | 167.7 | -178.9 | -103.5 | 0 | 0 | 0 | 109.7 | K262 K263 | Y260-K262 PolarHBondContact O-N 3.25Å; Y260-K263 PolarHBondContact N-O 3.5Å; Y260-K263 PolarHBondContact O-N 3.23Å |
| 261 | K | 97.1 | Very high | 97.9 | Very high | 161 Ų | 161 | 84.8 Ų | 84.8 | 70% | 0.7 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -109.5 | -171.4 | -56.3 | 179.5 | 179.6 | -179.8 | 0 | 110.9 | R259 | R259-K261 WeakPolarHBondContact CG-O 3.26Š|
| 262 | K | 97.8 | Very high | 97.8 | Very high | 196 Ų | 196 | 87.1 Ų | 87.1 | 85% | 0.852 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 12.1 | 177.3 | -61.7 | -171.5 | 178.8 | -175.6 | 0 | 113.5 | Y260 | Y260-K262 PolarHBondContact O-N 3.25Š|
| 263 | K | 97.9 | Very high | 97.5 | Very high | 158 Ų | 158 | 91.4 Ų | 91.4 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 161 | 178 | -63.3 | -166.8 | 176.8 | -168.4 | 0 | 110.9 | R259 Y260 | R259-K263 CarbonylContact C-O 3.58Å; R259-K263 WeakPolarHBondContact CA-O 3.29Å; Y260-K263 PolarHBondContact N-O 3.5Å; Y260-K263 PolarHBondContact O-N 3.23Å |
| 264 | Y | 98.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 95 Ų | 95 | 25% | 0.247 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.9 | 177 | -49.7 | -79.9 | 0 | 0 | 0 | 109.5 | E233 P234 L239 H258 R259 | E233-Y264 HydrophobicContact CG-CD2 4.42Å; E233-Y264 HydrophobicContact CG-CE2 3.74Å; E233-Y264 VanDerWaalsContact OE1-CE2 3.29Å; E233-Y264 WeakPolarHBondContact OE1-CE2 3.19Å; E233-Y264 PolarHBondContact OE1-OH 3.24Å; P234-Y264 HydrophobicContact CG-CD1 3.63Å; P234-Y264 HydrophobicContact CG-CD2 3.93Å; P234-Y264 HydrophobicContact CG-CE1 4.08Å; P234-Y264 HydrophobicContact CG-CE2 4.36Å; P234-Y264 HydrophobicContact CG-CG 3.52Å; L239-Y264 HydrophobicContact CD1-CD1 4.22Å; L239-Y264 HydrophobicContact CD1-CE1 3.97Å; L239-Y264 HydrophobicContact CD2-CD1 3.96Å; L239-Y264 HydrophobicContact CD2-CE1 4.41Å; H258-Y264 WeakPolarHBondContact O-CA 3.49Å; R259-Y264 HydrophobicContact CB-CD1 4.29Å; R259-Y264 HydrophobicContact CB-CE1 4.48Å; R259-Y264 HydrophobicContact CG-CD1 4.37Å; R259-Y264 HydrophobicContact CG-CE1 4.26Å; R259-Y264 VanDerWaalsContact CZ-CE1 3.4Å; R259-Y264 PolarHBondContact NH1-OH 3.04Å; R259-Y264 PolarHBondContact NH2-OH 2.78Å |
| 265 | V | 98.3 | Very high | 97.5 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 49% | 0.485 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.8 | 176.7 | -178 | 0 | 0 | 0 | 0 | 108.4 | T257 H258 | T257-V265 WeakPolarHBondContact CA-O 3.35Å; H258-V265 PolarHBondContact N-O 2.94Å; H258-V265 PolarHBondContact O-N 2.9Å |
| 266 | T | 98.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 102.5 Ų | 102.5 | 17% | 0.172 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.9 | 172.5 | -53.4 | 0 | 0 | 0 | 0 | 108.3 | I217 L218 L231 S255 T257 L268 | I217-T266 HydrophobicContact CG2-CG2 4.43Å; L218-T266 HydrophobicContact CD1-CG2 4.06Å; L218-T266 HydrophobicContact CD2-CG2 3.89Å; L218-T266 HydrophobicContact CG-CG2 4.06Å; L231-T266 HydrophobicContact CD1-CG2 4.26Å; L231-T266 WeakPolarHBondContact CD1-OG1 3.38Å; S255-T266 WeakPolarHBondContact OG-CG2 3.42Å; T257-T266 PolarHBondContact OG1-OG1 2.96Å; T266-L268 HydrophobicContact CG2-CD1 4.33Å |
| 267 | T | 98 | Very high | 97.4 | Very high | 78 Ų | 78 | 107.8 Ų | 107.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.9 | 179.1 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | S255 A256 | S255-T267 WeakPolarHBondContact CA-O 3.44Å; S255-T267 WeakPolarHBondContact CB-O 3.44Å; S255-T267 PolarHBondContact OG-O 3.49Å; A256-T267 PolarHBondContact N-O 3.21Å; A256-T267 PolarHBondContact O-N 3.01Å; A256-T267 VanDerWaalsContact O-N 3.08Å |
| 268 | L | 98.2 | Very high | 97.4 | Very high | 77 Ų | 77 | 114.4 Ų | 114.4 | 40% | 0.403 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.3 | 169.3 | -74.1 | 74.6 | 0 | 0 | 0 | 108.8 | L218 L254 T266 Y270 | L218-L268 HydrophobicContact CD1-CD1 3.94Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.22Å; L218-L268 HydrophobicContact CD2-CD1 4.42Å; L254-L268 CarbonylContact O-C 3.6Å; L254-L268 WeakPolarHBondContact O-CA 3.26Å; T266-L268 HydrophobicContact CG2-CD1 4.33Å; L268-Y270 HydrophobicContact CB-CE2 4.13Å; L268-Y270 HydrophobicContact CD2-CE2 4.31Å |
| 269 | L | 97.8 | Very high | 97.3 | Very high | 98 Ų | 98 | 116.1 Ų | 116.1 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.4 | 175.3 | 175.9 | 64 | 0 | 0 | 0 | 109.2 | V253 L254 | V253-L269 WeakPolarHBondContact CA-O 3.43Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 3.06Å |
| 270 | Y | 97.7 | Very high | 97.2 | Very high | 149 Ų | 149 | 116.1 Ų | 116.1 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.2 | 170.4 | -69.3 | -104.2 | 0 | 0 | 0 | 107.9 | V251 M252 V253 L268 | V251-Y270 HydrophobicContact CG1-CD1 4.14Å; M252-Y270 WeakPolarHBondContact O-CA 3.46Å; V253-Y270 HydrophobicContact CB-CD1 4.43Å; V253-Y270 HydrophobicContact CB-CE1 4.29Å; V253-Y270 HydrophobicContact CG1-CD1 4.17Å; V253-Y270 HydrophobicContact CG1-CD2 4.35Å; V253-Y270 HydrophobicContact CG1-CE1 3.79Å; V253-Y270 HydrophobicContact CG1-CE2 3.99Å; V253-Y270 HydrophobicContact CG1-CG 4.42Å; V253-Y270 HydrophobicContact CG2-CD1 3.53Å; V253-Y270 HydrophobicContact CG2-CE1 3.46Å; V253-Y270 VanDerWaalsContact CG2-CE1 3.46Å; V253-Y270 HydrophobicContact CG2-CG 4.36Å; L268-Y270 HydrophobicContact CB-CE2 4.13Å; L268-Y270 HydrophobicContact CD2-CE2 4.31Å |
| 271 | K | 97.3 | Very high | 97.2 | Very high | 132 Ų | 132 | 113.2 Ų | 113.2 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 123.5 | -177.9 | -174.5 | -178.8 | 171.5 | -176.7 | 0 | 110.4 | M252 | M252-K271 PolarHBondContact N-O 2.83Å; M252-K271 PolarHBondContact O-N 2.92Å |
| 272 | P | 95.9 | Very high | 97.2 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 151 | 169.2 | -22.2 | 34 | 0 | 0 | 0 | 112.1 | G250 | G250-P272 WeakPolarHBondContact O-CA 3.3Å |
| 273 | I | 90.6 | Very high | 97.1 | Very high | 155 Ų | 155 | 101.4 Ų | 101.4 | 80% | 0.795 | 51% | 0.506 | S | S | * | . | trans | -103.6 | 0 | 177.9 | -54.1 | -178.6 | 0 | 0 | 0 | 110 | I247 G250 M252 | I247-I273 HydrophobicContact CB-CD1 4.34Å; I247-I273 HydrophobicContact CD1-CD1 3.59Å; I247-I273 HydrophobicContact CG1-CD1 3.86Å; I247-I273 HydrophobicContact CG2-CD1 3.52Å; G250-I273 PolarHBondContact O-N 3.45Å; M252-I273 HydrophobicContact CB-CD1 4.1Å; M252-I273 HydrophobicContact CB-CG1 4.1Å; M252-I273 HydrophobicContact CE-CD1 4.18Å |
Retrieved 273 of 273 residues in 216.4 ms
(Link to these results)