| 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 | 30.2 | Very low | 40.9 | Very low | 258 Ų | 258 | 139 Ų | 139 | 100% | 1.271 | 79% | 0.791 | S | S | * | * | 0 | 137.3 | 0 | -64.7 | 171.5 | 177.4 | 0 | 0 | 107.3 | |||||
| 2 | G | 31.6 | Very low | 42 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 161.2 | 117.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | T | 32.6 | Very low | 41.1 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -173.5 | 164.9 | -165.7 | 35.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | P | 63.5 | Low | 40.6 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | cis | -146.1 | 168.8 | -31.4 | 40.2 | -23.3 | 0 | 0 | 0 | 116.2 | ||||
| 5 | R | 40.4 | Very low | 40 | Very low | 226 Ų | 226 | 141.1 Ų | 141.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 62.7 | 156.2 | 143.6 | -79.9 | 174.2 | 170.7 | 160.8 | -2.9 | 119.9 | ||||
| 6 | A | 34.8 | Very low | 39.3 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | cis | -151.5 | 173.1 | 16.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | Q | 35.7 | Very low | 38.8 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | cis | -163.3 | 143 | -16.8 | -103 | 179.7 | 152.6 | 0 | 0 | 107.3 | ||||
| 8 | H | 32.3 | Very low | 38.3 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | 65 | 144.2 | 84.2 | -63.8 | -23 | 0 | 0 | 0 | 116.7 | |||||
| 9 | P | 44.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -123.3 | -137.4 | 18.6 | 42.5 | -22.6 | 0 | 0 | 0 | 114.8 | ||||
| 10 | P | 45.7 | Very low | 37.4 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -134.6 | 172 | -124.6 | 39.4 | -16.6 | 0 | 0 | 0 | 119.9 | |||||
| 11 | P | 58.3 | Low | 37.1 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -92 | -168 | 163.8 | 41.8 | -37.5 | 0 | 0 | 0 | 111.3 | ||||
| 12 | P | 53.8 | Low | 37 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -144.2 | -173.2 | 12.2 | 44.7 | -24.6 | 0 | 0 | 0 | 117.5 | ||||
| 13 | Q | 31 | Very low | 37.7 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | 170.8 | 177.7 | 124.7 | -88.2 | -149.8 | 7.8 | 0 | 0 | 113.5 | |||||
| 14 | L | 34.4 | Very low | 37.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -154 | 139.3 | -161.1 | -155.6 | 86.6 | 0 | 0 | 0 | 115.2 | ||||
| 15 | L | 31.1 | Very low | 35.9 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | 78 | 156.4 | 150.5 | -120.3 | 129.6 | 0 | 0 | 0 | 123.3 | ||||
| 16 | F | 28.9 | Very low | 35.4 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | 96.4 | 152.6 | 167.9 | -90.9 | -80.5 | 0 | 0 | 0 | 122.1 | ||||
| 17 | L | 30.3 | Very low | 35.1 | Very low | 141 Ų | 141 | 145 Ų | 145 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -102 | 168.7 | -161.3 | -58.1 | 94.6 | 0 | 0 | 0 | 114.9 | ||||
| 18 | I | 29.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 146 Ų | 146 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | -174.1 | 166.4 | 117.7 | -95.9 | 161 | 0 | 0 | 0 | 113.9 | |||||
| 19 | L | 29.8 | Very low | 35.4 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 169.5 | -169.9 | -63.4 | 155.8 | 0 | 0 | 0 | 117.4 | ||||
| 20 | L | 29.8 | Very low | 34.5 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 153.7 | 150 | 134.5 | -80.3 | 164.1 | 0 | 0 | 0 | 110.1 | ||||
| 21 | S | 30.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -171.5 | 154.3 | -16.6 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 22 | C | 27.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -92 | 161.6 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 23 | P | 46.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -137.6 | 145.5 | 106.6 | 30.8 | -14.9 | 0 | 0 | 0 | 113.1 | |||||
| 24 | W | 29.2 | Very low | 30.7 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | 63.1 | 113.4 | 72.9 | -93.3 | 60.1 | 0 | 0 | 0 | 116.3 | |||||
| 25 | I | 29.6 | Very low | 30.4 | Very low | 171 Ų | 171 | 151 Ų | 151 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -170.1 | 162.4 | 137.4 | -100.2 | 159.5 | 0 | 0 | 0 | 109.9 | ||||
| 26 | Q | 30.9 | Very low | 30.4 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -107 | 162.4 | -168.9 | -57.3 | 156.2 | -47.5 | 0 | 0 | 112.4 | ||||
| 27 | G | 27.9 | Very low | 30.6 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 167.7 | 91.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 28 | L | 29 | Very low | 30.4 | Very low | 168 Ų | 168 | 150 Ų | 150 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -92 | 166 | 137.2 | -83.7 | 162.1 | 0 | 0 | 0 | 106.7 | ||||
| 29 | P | 44.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -151.3 | -162.4 | 32.9 | 37.5 | -11.9 | 0 | 0 | 0 | 116.9 | ||||
| 30 | L | 25.9 | Very low | 30.9 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | 75.4 | 137.3 | 163 | -57.5 | 168.5 | 0 | 0 | 0 | 118 | ||||
| 31 | K | 25.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | cis | 113.8 | 148.5 | 3.8 | -167.1 | -178.3 | 179 | -67 | 0 | 113.9 | ||||
| 32 | E | 29.3 | Very low | 30.4 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 62% | 0.621 | 80% | 0.798 | S | S | * | * | trans | 70.7 | 148 | -172 | -96 | 64.3 | -104.3 | 0 | 0 | 114 | ||||
| 33 | E | 26.8 | Very low | 30.3 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | cis | -147.1 | 160.5 | 8.8 | -152.4 | 155.7 | -178 | 0 | 0 | 112.1 | ||||
| 34 | E | 28.2 | Very low | 29.8 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -83.2 | 169.6 | 172.3 | -63.6 | 173.7 | 98.3 | 0 | 0 | 111.9 | ||||
| 35 | I | 26.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -167.7 | 145.7 | 134.8 | -100.9 | 151.6 | 0 | 0 | 0 | 111.3 | ||||
| 36 | L | 32.6 | Very low | 29.3 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 164.4 | -177.8 | -148.3 | 77.7 | 0 | 0 | 0 | 113 | ||||
| 37 | P | 32.8 | Very low | 29.2 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -142.1 | 146.4 | 128.4 | 37.6 | -25.1 | 0 | 0 | 0 | 116.3 | |||||
| 38 | E | 26.1 | Very low | 29.2 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -157.6 | 157.3 | 164.4 | -96.9 | -90 | 135.4 | 0 | 0 | 105.2 | ||||
| 39 | P | 43.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -118.3 | 178.5 | -23.8 | 36.7 | -22.2 | 0 | 0 | 0 | 111.8 | ||||
| 40 | G | 26.5 | Very low | 28.3 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -169 | 105.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 41 | S | 23.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -90.8 | 132 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 42 | E | 26.3 | Very low | 28.4 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -158.8 | 126.6 | 142.4 | -118.4 | 167.2 | -140.1 | 0 | 0 | 111.6 | ||||
| 43 | T | 24.7 | Very low | 28.4 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -124.8 | 146.8 | 164.5 | 60.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 44 | P | 34.8 | Very low | 28.5 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | -153.3 | 153.9 | 97.9 | 39 | -21.3 | 0 | 0 | 0 | 117.8 | |||||
| 45 | T | 25.4 | Very low | 28.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 69.2 | 117.7 | 139.2 | 52 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 46 | V | 24.5 | Very low | 28.5 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | 79.4 | 107.2 | 125.9 | 178.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 47 | A | 27 | Very low | 28.2 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | -167.9 | 163.2 | 110.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 48 | S | 28.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -79.4 | 177.3 | 166.8 | 55 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 49 | E | 27.5 | Very low | 27.9 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | cis | -166.8 | 175.4 | 28.4 | -151 | 142 | -107.5 | 0 | 0 | 111.5 | ||||
| 50 | A | 27.4 | Very low | 27.1 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 58.1 | 96.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 51 | L | 26.7 | Very low | 27.2 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 76.2 | 110.2 | 62.1 | -165.8 | 128.3 | 0 | 0 | 0 | 114.2 | |||||
| 52 | A | 26.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -130.4 | 134.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 53 | E | 29.8 | Very low | 27.6 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -88.5 | 136 | 175.8 | -65.7 | -169.8 | 141.8 | 0 | 0 | 111.6 | ||||
| 54 | L | 28 | Very low | 28.5 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | -177.8 | 116.9 | 120.1 | -97.6 | 163.3 | 0 | 0 | 0 | 109.7 | |||||
| 55 | L | 27.7 | Very low | 28.1 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -150 | 159.9 | -171.3 | -65.9 | 178.3 | 0 | 0 | 0 | 107.8 | ||||
| 56 | H | 28.8 | Very low | 28.1 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | cis | -154.5 | 156.1 | -0.2 | -120.7 | 140.8 | 0 | 0 | 0 | 108.6 | ||||
| 57 | G | 25.8 | Very low | 28.2 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | -119.9 | 161.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 58 | A | 26.6 | Very low | 28 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | cis | -164.2 | -177.9 | -4.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 59 | L | 26.2 | Very low | 27.9 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | 65.9 | 133.9 | 164.3 | -61 | 165.9 | 0 | 0 | 0 | 118.6 | ||||
| 60 | L | 26.5 | Very low | 28.3 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | trans | -137.3 | 142.1 | 151.2 | -81.2 | 178.8 | 0 | 0 | 0 | 110 | ||||
| 61 | R | 28.1 | Very low | 28.1 | Very low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -148.9 | 105.3 | 172.6 | -146.1 | -175.3 | -165.9 | -153.5 | 4.8 | 110.8 | ||||
| 62 | R | 29.6 | Very low | 28.1 | Very low | 248 Ų | 248 | 142.3 Ų | 142.3 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | 63.7 | 143.5 | 170.7 | -64.9 | -177.6 | 170.1 | 175.5 | -4.7 | 117.8 | ||||
| 63 | G | 28.8 | Very low | 28.1 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -84.7 | -158.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 64 | P | 43.5 | Very low | 28.1 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | -150.2 | -175.3 | 58.8 | 43.4 | -24.5 | 0 | 0 | 0 | 117.9 | |||||
| 65 | E | 27.2 | Very low | 28 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 77.5 | 126.8 | 149.4 | -85.5 | -176.6 | -166.7 | 0 | 0 | 125.3 | ||||
| 66 | M | 24.7 | Very low | 28.4 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 54.4 | 116 | 143.3 | -72.4 | -169 | -88 | 0 | 0 | 123.2 | ||||
| 67 | G | 26.5 | Very low | 28.3 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -160.1 | 142 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 68 | Y | 24.1 | Very low | 28.6 | Very low | 214 Ų | 214 | 145.2 Ų | 145.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -127.1 | 134.6 | -161.1 | -140 | -128.4 | 0 | 0 | 0 | 113.2 | ||||
| 69 | L | 26.3 | Very low | 28.5 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | 70.6 | 165.4 | 160.4 | -56.6 | 173.2 | 0 | 0 | 0 | 118.7 | ||||
| 70 | P | 34.3 | Very low | 28.6 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | -141.1 | 148.3 | -53.3 | 39.3 | -23.8 | 0 | 0 | 0 | 116.1 | |||||
| 71 | G | 24.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 59.8 | 125.4 | 133.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 72 | S | 26.1 | Very low | 30.2 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -152.7 | 160.4 | 132.8 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 73 | D | 26.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 128 Ų | 128 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 73.8 | 145 | 166.8 | -66.5 | 8.7 | 0 | 0 | 0 | 117.6 | ||||
| 74 | R | 29.2 | Very low | 30.3 | Very low | 220 Ų | 220 | 127.8 Ų | 127.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | cis | 173.8 | 102.7 | -30.9 | -114.6 | 171.7 | 137.6 | 179.9 | -5.2 | 104.8 | ||||
| 75 | D | 26.8 | Very low | 29.6 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -56.3 | 149.7 | 166.7 | -142.6 | -36.7 | 0 | 0 | 0 | 109.9 | T77 | D75-T77 PolarHBondContact OD1-N 3.16Š| ||
| 76 | P | 35.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -147.3 | 111.8 | 102.5 | 35.6 | -17.9 | 0 | 0 | 0 | 116.8 | |||||
| 77 | T | 28.4 | Very low | 29.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | 55.5 | 98.7 | 126.5 | 62.7 | 0 | 0 | 0 | 0 | 119.3 | D75 | D75-T77 PolarHBondContact OD1-N 3.16Š| |||
| 78 | L | 31.4 | Very low | 29.8 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | 43.6 | 119.8 | 111 | -165.3 | 80.2 | 0 | 0 | 0 | 119.7 | |||||
| 79 | A | 25.5 | Very low | 30.1 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -148.6 | 109.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 80 | T | 28.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -125.3 | 178.1 | 157.8 | 57 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 81 | P | 44.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -127.3 | -139.2 | 5.7 | 42.2 | -19.5 | 0 | 0 | 0 | 108.6 | ||||
| 82 | P | 43 | Very low | 30.4 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | cis | -126.9 | -170.9 | -3.5 | 41.7 | -22.1 | 0 | 0 | 0 | 115.5 | ||||
| 83 | A | 31.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -112 | 163.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 84 | G | 28.9 | Very low | 30.7 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 105 | 104.3 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 85 | Q | 28.8 | Very low | 30.6 | Very low | 203 Ų | 203 | 127.1 Ų | 127.1 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -160 | 142.3 | 141.1 | -118.6 | 150.4 | 103.1 | 0 | 0 | 112.4 | ||||
| 86 | T | 29.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -101.2 | 142.2 | 177.7 | -46 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 87 | L | 27.3 | Very low | 30.3 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -176.3 | 134.8 | 143.5 | -105.2 | 162.5 | 0 | 0 | 0 | 115.3 | ||||
| 88 | A | 24.9 | Very low | 30.6 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 67.2 | 151 | 146.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 89 | V | 32.1 | Very low | 30.3 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -127.2 | 140.3 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 90 | P | 32.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 151.1 | 139 | 35.5 | -22.7 | 0 | 0 | 0 | 111.1 | ||||
| 91 | S | 26.9 | Very low | 30.2 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | cis | 169.7 | 152 | -13.9 | 47.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 92 | L | 31.4 | Very low | 30.4 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -62.5 | 166.3 | -174.9 | -123.8 | 73.5 | 0 | 0 | 0 | 114.8 | R94 | L92-R94 HydrophobicContact CD2-CB 4.19Å; L92-R94 HydrophobicContact CD2-CG 4.02Å | ||
| 93 | P | 31.2 | Very low | 29.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | -131.1 | 143.5 | 102.6 | 37 | -30.2 | 0 | 0 | 0 | 116.1 | |||||
| 94 | R | 26.8 | Very low | 29.4 | Very low | 227 Ų | 227 | 129.7 Ų | 129.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -87.2 | 170.6 | 156.8 | -109.3 | -174.9 | 151.2 | 153.4 | -10 | 107.9 | L92 | L92-R94 HydrophobicContact CD2-CB 4.19Å; L92-R94 HydrophobicContact CD2-CG 4.02Å | ||
| 95 | A | 28.5 | Very low | 29.3 | Very low | 74 Ų | 74 | 133 Ų | 133 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | cis | -168.9 | 166.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 96 | T | 26.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -160.4 | 151.5 | 139.4 | 11.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 97 | E | 30.1 | Very low | 29.1 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -87.1 | -178.5 | 169.6 | -58 | 177.1 | 148.8 | 0 | 0 | 110.8 | ||||
| 98 | P | 33.5 | Very low | 29.2 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -142.9 | 167.8 | 105.8 | 39.6 | -28.3 | 0 | 0 | 0 | 114.9 | |||||
| 99 | G | 24.9 | Very low | 30.2 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | -157.1 | 166.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 100 | T | 27.6 | Very low | 30 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | 81.7 | 76.7 | 150.4 | -40.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 101 | G | 25.3 | Very low | 29.8 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | 61.7 | -163 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 102 | P | 48 | Very low | 30 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | cis | -139.8 | -169.2 | -8.8 | 36.2 | -14.4 | 0 | 0 | 0 | 115.9 | ||||
| 103 | L | 26.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 96.8 | 103 | 154.1 | -65 | 164.8 | 0 | 0 | 0 | 123.2 | ||||
| 104 | T | 27.1 | Very low | 29.7 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | 70.5 | 151.5 | 131 | 59.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 105 | T | 27.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | cis | -129.4 | 168.9 | 11.9 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 106 | A | 27.6 | Very low | 29.7 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -103.4 | -161.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 107 | V | 26.3 | Very low | 31.3 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -148.9 | 171.6 | 32.6 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 108 | T | 28.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -82.8 | -156.8 | 175.5 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 109 | P | 45.2 | Very low | 31 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | cis | -147.4 | 177.8 | 0 | 43.2 | -21.9 | 0 | 0 | 0 | 120.3 | ||||
| 110 | N | 28.6 | Very low | 32 | Very low | 161 Ų | 161 | 121 Ų | 121 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | 55.5 | 123.8 | 142.6 | -65 | -5.8 | 0 | 0 | 0 | 124.6 | ||||
| 111 | G | 28.2 | Very low | 32 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -89.8 | -157 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 112 | V | 30 | Very low | 32.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 95% | 0.945 | 79% | 0.794 | S | S | * | * | trans | -164.4 | 170.1 | 169.4 | 131.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 113 | R | 29.5 | Very low | 31.4 | Very low | 249 Ų | 249 | 128.4 Ų | 128.4 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | trans | -81.1 | 159.7 | -166.9 | -54.2 | 170.3 | 176.4 | 172.1 | -3.8 | 116.6 | ||||
| 114 | G | 28.1 | Very low | 32 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -168.4 | 144.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 115 | A | 28.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -71.1 | 167.2 | -169 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 116 | G | 26.2 | Very low | 33.5 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -98.6 | -158.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 117 | P | 60.8 | Low | 35 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | -130 | -146.5 | 4.3 | 42.6 | -24.1 | 0 | 0 | 0 | 112.9 | ||||
| 118 | T | 27.5 | Very low | 35.4 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | 101.6 | 146.1 | 165.9 | 70.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 119 | A | 30.5 | Very low | 35.6 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -110.6 | -177.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 120 | P | 44.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 126 Ų | 126 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | cis | -147.7 | -165.7 | 21.6 | 41.2 | -17.4 | 0 | 0 | 0 | 117.2 | ||||
| 121 | E | 28.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | 81.9 | 165.2 | 143.9 | -97.5 | 180 | 107.5 | 0 | 0 | 124 | ||||
| 122 | L | 34.2 | Very low | 35.8 | Very low | 148 Ų | 148 | 125 Ų | 125 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -73.6 | 157.6 | -171.5 | -82.2 | 58.9 | 0 | 0 | 0 | 113.3 | ||||
| 123 | L | 26.5 | Very low | 36.6 | Very low | 165 Ų | 165 | 123 Ų | 123 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -172.6 | 170.7 | 113.8 | -100.2 | 165.4 | 0 | 0 | 0 | 113.8 | |||||
| 124 | T | 37.9 | Very low | 38 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -90.3 | 157.2 | -170 | 48.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 125 | P | 37.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -98.9 | 164.1 | 155.8 | 36.5 | -30.5 | 0 | 0 | 0 | 113 | ||||
| 126 | P | 49 | Very low | 38.6 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -127.3 | -149 | -155.5 | 48.6 | -31.1 | 0 | 0 | 0 | 113.3 | ||||
| 127 | P | 59.1 | Low | 40.1 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -134 | -178.3 | -123.6 | 34.4 | -9.1 | 0 | 0 | 0 | 118 | |||||
| 128 | G | 35.4 | Very low | 38.5 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 102.8 | 158.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 129 | T | 33.1 | Very low | 38.9 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -167.9 | 153.1 | -2.9 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 130 | T | 33.1 | Very low | 40.1 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | cis | -173.5 | 143.9 | -15.5 | 29.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 131 | A | 30.8 | Very low | 39.2 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 68.1 | 165.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 132 | P | 40.2 | Very low | 40.1 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -128.1 | -141.3 | -35 | 32.5 | -9.6 | 0 | 0 | 0 | 112.3 | ||||
| 133 | P | 47.8 | Very low | 41 | Very low | 115 Ų | 115 | 116 Ų | 116 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | -123.5 | -173.9 | -104.6 | 43.3 | -24.2 | 0 | 0 | 0 | 114.9 | |||||
| 134 | P | 58.4 | Low | 41.1 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -106.9 | -170 | -163.8 | 42.8 | -36.8 | 0 | 0 | 0 | 114.7 | ||||
| 135 | P | 32.8 | Very low | 40.6 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -129.8 | 151.4 | 141.9 | 38 | -27.6 | 0 | 0 | 0 | 115.2 | ||||
| 136 | S | 36.1 | Very low | 41 | Very low | 111 Ų | 111 | 113.5 Ų | 113.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -154.3 | 176.5 | 167.4 | -41.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 137 | P | 58 | Low | 40 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -122.9 | -171.9 | -27.9 | 39.8 | -25 | 0 | 0 | 0 | 111.3 | ||||
| 138 | A | 27.1 | Very low | 38.6 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -151.6 | 135.7 | 166 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 139 | S | 36.4 | Very low | 38.4 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 178.4 | 165 | 172.6 | -80.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 140 | P | 54.4 | Low | 38.2 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | cis | -127.6 | -174.8 | -10.6 | 40.8 | -25.2 | 0 | 0 | 0 | 113.6 | ||||
| 141 | G | 26.7 | Very low | 38.1 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 161.5 | 120.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 142 | P | 46.8 | Very low | 38.2 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -114.7 | -159 | 168.4 | 44.9 | -34.5 | 0 | 0 | 0 | 110.9 | ||||
| 143 | P | 54.5 | Low | 37.6 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -134.3 | -159.3 | -10.3 | 33 | -8.4 | 0 | 0 | 0 | 114.5 | ||||
| 144 | L | 28.1 | Very low | 37.1 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | 80.2 | 146.4 | 168.3 | -48.1 | 174.9 | 0 | 0 | 0 | 116.7 | ||||
| 145 | G | 27 | Very low | 35.9 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | cis | -161.1 | 179.7 | 3.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 146 | P | 46.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -84.9 | -170.6 | -154.8 | 39.4 | -41.9 | 0 | 0 | 0 | 115.2 | ||||
| 147 | E | 28.3 | Very low | 35.7 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | cis | -166.1 | 163.6 | 27.3 | -152.7 | 139.7 | 79.8 | 0 | 0 | 115 | ||||
| 148 | G | 28.6 | Very low | 34.8 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 89.8 | 138.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 149 | G | 31 | Very low | 35 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | cis | 131.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 150 | E | 29.8 | Very low | 34.9 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | cis | -153 | 171 | -1.1 | -70.1 | -176 | 110.8 | 0 | 0 | 111.6 | ||||
| 151 | E | 31.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 71.1 | 165.4 | 157.8 | -103.7 | -179.2 | 178.9 | 0 | 0 | 123.4 | ||||
| 152 | E | 32 | Very low | 34.2 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -84.4 | 152.4 | -148.2 | -56.5 | -178.7 | 124.8 | 0 | 0 | 116.3 | ||||
| 153 | T | 28 | Very low | 33.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -142.2 | 111 | 148.8 | 12.4 | 0 | 0 | 0 | 0 | 111.4 | T155 | T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 VanDerWaalsContact O-N 3.16Å | ||
| 154 | T | 37 | Very low | 32.4 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -55.6 | 114.8 | 178 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | T | 33.4 | Very low | 32.4 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -102.8 | 111.9 | 164.2 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | T153 I157 | T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 VanDerWaalsContact O-N 3.16Å; T155-I157 PolarHBondContact O-N 3.01Å | ||
| 156 | T | 32.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | -60.1 | 125.1 | -169.5 | -26.3 | 0 | 0 | 0 | 0 | 111.6 | I158 | T156-I158 PolarHBondContact O-N 3.38Š| ||
| 157 | I | 33.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -63.3 | 110.1 | 159.4 | -59 | 176.7 | 0 | 0 | 0 | 105.8 | T155 T159 | T155-I157 PolarHBondContact O-N 3.01Å; I157-T159 HydrophobicContact CG2-CG2 4.07Å; I157-T159 PolarHBondContact O-N 3.1Å | ||
| 158 | I | 38.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 125 Ų | 125 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -72.7 | 82.8 | 166.4 | -55.9 | 178.6 | 0 | 0 | 0 | 106.2 | T156 T160 | T156-I158 PolarHBondContact O-N 3.38Å; I158-T160 VanDerWaalsContact C-N 3.26Å; I158-T160 HydrophobicContact CG2-CG2 4.19Å; I158-T160 PolarHBondContact O-N 3.34Å | ||
| 159 | T | 31.9 | Very low | 32.5 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | trans | -59.3 | 101.2 | 154.3 | 49 | 0 | 0 | 0 | 0 | 105.6 | I157 T161 | I157-T159 HydrophobicContact CG2-CG2 4.07Å; I157-T159 PolarHBondContact O-N 3.1Å; T159-T161 PolarHBondContact O-N 2.75Å | ||
| 160 | T | 33.2 | Very low | 33.2 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -66.7 | 74.5 | 155.3 | 50.9 | 0 | 0 | 0 | 0 | 106.4 | I158 T162 | I158-T160 VanDerWaalsContact C-N 3.26Å; I158-T160 HydrophobicContact CG2-CG2 4.19Å; I158-T160 PolarHBondContact O-N 3.34Å; T160-T162 VanDerWaalsContact C-N 3.33Å; T160-T162 PolarHBondContact O-N 2.91Å | ||
| 161 | T | 32.5 | Very low | 34.3 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | trans | -52.2 | 108.3 | 162.2 | -52.5 | 0 | 0 | 0 | 0 | 104.2 | T159 V163 | T159-T161 PolarHBondContact O-N 2.75Å; T161-V163 HydrophobicContact CG2-CG2 4.11Å; T161-V163 PolarHBondContact O-N 3.24Å | ||
| 162 | T | 34.2 | Very low | 35.7 | Very low | 121 Ų | 121 | 114.7 Ų | 114.7 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | -65.4 | 84.8 | 163.7 | 45.5 | 0 | 0 | 0 | 0 | 105.2 | T160 T164 | T160-T162 VanDerWaalsContact C-N 3.33Å; T160-T162 PolarHBondContact O-N 2.91Å; T162-T164 PolarHBondContact O-N 3.22Å | ||
| 163 | V | 30.7 | Very low | 37.7 | Very low | 101 Ų | 101 | 108.9 Ų | 108.9 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | trans | -61.8 | 88 | 156.8 | -177.7 | 0 | 0 | 0 | 0 | 103.4 | T161 T165 | T161-V163 HydrophobicContact CG2-CG2 4.11Å; T161-V163 PolarHBondContact O-N 3.24Å; V163-T165 HydrophobicContact CG1-CG2 3.95Å; V163-T165 PolarHBondContact O-N 3.02Å | ||
| 164 | T | 32.3 | Very low | 40.1 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | trans | -51.4 | 94.9 | 147.2 | 44.7 | 0 | 0 | 0 | 0 | 104.1 | T162 T166 | T162-T164 PolarHBondContact O-N 3.22Å; T164-T166 PolarHBondContact O-N 3.34Å | ||
| 165 | T | 29.2 | Very low | 42.1 | Very low | 107 Ų | 107 | 104.4 Ų | 104.4 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | trans | -63.4 | 88.8 | 162 | 47.2 | 0 | 0 | 0 | 0 | 104.5 | V163 V167 | V163-T165 HydrophobicContact CG1-CG2 3.95Å; V163-T165 PolarHBondContact O-N 3.02Å; T165-V167 PolarHBondContact O-N 3.16Å | ||
| 166 | T | 33 | Very low | 44.6 | Very low | 113 Ų | 113 | 102.4 Ų | 102.4 | 69% | 0.693 | 61% | 0.605 | S | S | * | * | trans | -49.6 | 87.3 | 141.4 | 50.2 | 0 | 0 | 0 | 0 | 104.7 | T164 T168 | T164-T166 PolarHBondContact O-N 3.34Å; T166-T168 PolarHBondContact O-N 3.34Å | ||
| 167 | V | 27.6 | Very low | 47.2 | Very low | 121 Ų | 121 | 98 Ų | 98 | 73% | 0.733 | 58% | 0.577 | S | S | * | * | trans | -61.7 | 96.2 | 159.1 | 176 | 0 | 0 | 0 | 0 | 102 | T165 S169 | T165-V167 PolarHBondContact O-N 3.16Å; V167-S169 PolarHBondContact O-N 2.82Å | ||
| 168 | T | 34.6 | Very low | 49.7 | Very low | 126 Ų | 126 | 95.1 Ų | 95.1 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | trans | -66.3 | 80.6 | 170.5 | 21 | 0 | 0 | 0 | 0 | 106.1 | T166 | T166-T168 PolarHBondContact O-N 3.34Š| ||
| 169 | S | 35.8 | Very low | 51.7 | Low | 82 Ų | 82 | 94.7 Ų | 94.7 | 57% | 0.573 | 57% | 0.565 | S | S | * | * | trans | -44.2 | 127.2 | 154.5 | 48.4 | 0 | 0 | 0 | 0 | 106.2 | V167 V171 | V167-S169 PolarHBondContact O-N 2.82Å; S169-V171 PolarHBondContact O-N 3.37Å; S169-V171 VanDerWaalsContact O-N 3.13Å | ||
| 170 | P | 45.9 | Very low | 53.9 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | trans | -54.4 | 127.9 | 179.8 | 24.3 | -33.7 | 0 | 0 | 0 | 107.6 | L172 | P170-L172 WeakPolarHBondContact O-CG 3.35Å; P170-L172 PolarHBondContact O-N 2.88Å | ||
| 171 | V | 53.8 | Low | 56.5 | Low | 47 Ų | 47 | 90.3 Ų | 90.3 | 29% | 0.285 | 54% | 0.538 | S | S | . | . | trans | -57.5 | 103.9 | -174.8 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | S169 C173 E185 Y204 | S169-V171 PolarHBondContact O-N 3.37Å; S169-V171 VanDerWaalsContact O-N 3.13Å; V171-C173 PolarHBondContact O-N 2.03Å; V171-C173 VanDerWaalsContact O-N 3.16Å; V171-E185 HydrophobicContact CG1-CB 4.49Å; V171-E185 WeakPolarHBondContact CG1-O 3.4Å; V171-E185 HydrophobicContact CG2-CB 4.42Å; V171-Y204 HydrophobicContact CG1-CE1 4.3Å; V171-Y204 WeakPolarHBondContact CG1-OH 3.4Å | ||
| 172 | L | 61.8 | Low | 59.2 | Low | 104 Ų | 104 | 86.2 Ų | 86.2 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | trans | -75.3 | 109.5 | -170.3 | -76.1 | 174.7 | 0 | 0 | 0 | 109.1 | P170 N174 N175 Y204 | P170-L172 WeakPolarHBondContact O-CG 3.35Å; P170-L172 PolarHBondContact O-N 2.88Å; L172-N174 PolarHBondContact O-N 2.96Å; L172-N175 HydrophobicContact CB-CB 4.02Å; L172-N175 VanDerWaalsContact O-CB 3.31Å; L172-N175 WeakPolarHBondContact O-CB 3.28Å; L172-N175 PolarHBondContact O-N 3.15Å; L172-Y204 VanDerWaalsContact O-CE1 3.31Å; L172-Y204 WeakPolarHBondContact O-CE1 3.39Å | ||
| 173 | C | 72.7 | Confident | 61.8 | Low | 48 Ų | 48 | 86.3 Ų | 86.3 | 32% | 0.324 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 133.7 | 160.5 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | V171 P187 D201 C202 | V171-C173 PolarHBondContact O-N 2.03Å; V171-C173 VanDerWaalsContact O-N 3.16Å; C173-P187 HydrophobicContact CB-CG 4.38Å; C173-D201 PolarHBondContact SG-O 3.19Å; C173-C202 HydrophobicContact CB-CB 4.05Å; C173-C202 WeakPolarHBondContact CB-SG 3.3Å; C173-C202 WeakPolarHBondContact SG-CA 3.32Å; C173-C202 WeakPolarHBondContact SG-CB 3.26Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.83Å |
| 174 | N | 77.8 | Confident | 64.5 | Low | 102 Ų | 102 | 81.7 Ų | 81.7 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 38.7 | -173.9 | -58.9 | -18.6 | 0 | 0 | 0 | 115.3 | L172 C202 T203 | L172-N174 PolarHBondContact O-N 2.96Å; N174-C202 WeakPolarHBondContact OD1-CA 3.14Å; N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 2.97Å |
| 175 | N | 79.6 | Confident | 67 | Low | 67 Ų | 67 | 79.1 Ų | 79.1 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | trans | -79.8 | 146.1 | 172.6 | -163.1 | 17.9 | 0 | 0 | 0 | 113.1 | L172 I177 Y204 S205 | L172-N175 HydrophobicContact CB-CB 4.02Å; L172-N175 VanDerWaalsContact O-CB 3.31Å; L172-N175 WeakPolarHBondContact O-CB 3.28Å; L172-N175 PolarHBondContact O-N 3.15Å; N175-I177 HydrophobicContact CB-CG1 4.44Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; N175-Y204 WeakPolarHBondContact O-CA 3.21Å; N175-S205 PolarHBondContact O-N 2.85Å; N175-S205 VanDerWaalsContact O-N 3.08Å | ||
| 176 | N | 85.9 | Confident | 69.3 | Low | 91 Ų | 91 | 75.2 Ų | 75.2 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.6 | 177 | -177.3 | 52.3 | 0 | 0 | 0 | 109.6 | S205 H207 | N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 PolarHBondContact OD1-O 3.06Å; N176-S205 VanDerWaalsContact OD1-O 3.1Å; N176-S205 PolarHBondContact OD1-OG 2.9Å; N176-H207 PolarHBondContact ND2-CE1 2.03Å; N176-H207 PolarHBondContact ND2-NE2 2.84Å; N176-H207 PolarHBondContact OD1-CE1 2.81Å; N176-H207 VanDerWaalsContact OD1-CE1 3.24Å; N176-H207 PolarHBondContact OD1-ND1 2.68Å |
| 177 | I | 86.5 | Confident | 71.3 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.087 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.3 | -161.5 | -61.3 | 171.3 | 0 | 0 | 0 | 109.9 | N175 V184 S205 I206 H207 Y283 | N175-I177 HydrophobicContact CB-CG1 4.44Å; I177-V184 HydrophobicContact CD1-CG2 3.76Å; I177-S205 PolarHBondContact N-O 3.49Å; I177-I206 HydrophobicContact CB-CG1 4.33Å; I177-I206 HydrophobicContact CD1-CG1 4.42Å; I177-I206 CarbonylContact O-C 3.51Å; I177-I206 WeakPolarHBondContact O-CA 3.18Å; I177-H207 PolarHBondContact O-CE1 2.91Å; I177-H207 PolarHBondContact O-N 3.48Å; I177-H207 PolarHBondContact O-ND1 3.18Å; I177-Y283 HydrophobicContact CG2-CE1 4.07Å; I177-Y283 HydrophobicContact CG2-CE2 4.07Å; I177-Y283 VanDerWaalsContact CG2-CZ 3.49Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.37Å |
| 178 | S | 85.4 | Confident | 72.9 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | trans | -120.8 | 12.1 | -176.6 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 179 | E | 81.7 | Confident | 73.8 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | trans | -81.4 | 151.3 | 179.5 | -64.2 | 175.6 | 158 | 0 | 0 | 110 | E181 Y283 | E179-E181 VanDerWaalsContact C-N 3.31Å; E179-E181 PolarHBondContact O-N 2.97Å; E179-Y283 WeakPolarHBondContact O-CE2 3.45Å | ||
| 180 | G | 77.3 | Confident | 74.5 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -73.6 | -19.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G285 | G180-G285 WeakPolarHBondContact O-CA 3.03Å; G180-G285 PolarHBondContact O-N 2.86Å |
| 181 | E | 88.3 | Confident | 74.6 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 146.4 | 176.6 | -172.9 | 179.2 | 152 | 0 | 0 | 109.7 | E179 H282 Y283 Q284 | E179-E181 VanDerWaalsContact C-N 3.31Å; E179-E181 PolarHBondContact O-N 2.97Å; E181-H282 WeakPolarHBondContact CG-NE2 3Å; E181-H282 IonicContact OE1-CE1 3.17Å; E181-H282 PolarHBondContact OE1-CE1 3.2Å; E181-H282 IonicContact OE1-NE2 2.81Å; E181-H282 PolarHBondContact OE1-NE2 3.37Å; E181-Y283 WeakPolarHBondContact CA-O 3.46Å; E181-Y283 WeakPolarHBondContact CG-O 3.38Å; E181-Q284 HydrophobicContact CB-CG 4.26Å; E181-Q284 HydrophobicContact CG-CB 4.35Å; E181-Q284 HydrophobicContact CG-CG 3.95Å; E181-Q284 PolarHBondContact OE2-NE2 2.97Å |
| 182 | G | 89.1 | Confident | 74.3 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 13% | 0.134 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | -155.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | H282 Y283 | G182-H282 WeakPolarHBondContact O-CA 3.5Å; G182-H282 PolarHBondContact O-CD2 2.84Å; G182-H282 VanDerWaalsContact O-CD2 3.24Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.43Å; G182-Y283 VanDerWaalsContact N-CZ 3.34Å; G182-Y283 PolarHBondContact N-O 2.92Å; G182-Y283 VanDerWaalsContact O-CD1 3.29Å; G182-Y283 WeakPolarHBondContact O-CD1 3.33Å; G182-Y283 PolarHBondContact O-N 3.09Å |
| 183 | Y | 87.9 | Confident | 73.6 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 48% | 0.482 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.6 | -178.2 | -59.3 | -82.4 | 0 | 0 | 0 | 111.3 | R280 I281 H282 | Y183-R280 HydrophobicContact CD1-CG 4.19Å; Y183-I281 CarbonylContact C-O 3.56Å; Y183-I281 WeakPolarHBondContact CA-O 3.06Å; Y183-H282 HydrophobicContact CD1-CB 3.92Å; Y183-H282 HydrophobicContact CE1-CB 3.67Å; Y183-H282 AromaticContact CE1-CD2 3.41Å; Y183-H282 VanDerWaalsContact CE1-CD2 3.41Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y183-H282 AromaticContact CE1-CG 3.82Å; Y183-H282 AromaticContact CZ-CD2 3.57Å |
| 184 | V | 88.3 | Confident | 72.4 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.1 | 165 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | I177 Y204 I206 L266 F279 I281 Y283 | I177-V184 HydrophobicContact CD1-CG2 3.76Å; V184-Y204 HydrophobicContact CG1-CD1 3.7Å; V184-Y204 HydrophobicContact CG1-CD2 3.69Å; V184-Y204 HydrophobicContact CG1-CE1 3.91Å; V184-Y204 HydrophobicContact CG1-CE2 3.89Å; V184-Y204 HydrophobicContact CG1-CG 3.57Å; V184-I206 HydrophobicContact CG2-CD1 4.02Å; V184-I206 HydrophobicContact CG2-CG1 4.48Å; V184-L266 HydrophobicContact CB-CD1 4.06Å; V184-L266 HydrophobicContact CG1-CD1 4.13Å; V184-L266 HydrophobicContact CG2-CD1 4.08Å; V184-F279 HydrophobicContact CG1-CE2 4.07Å; V184-I281 PolarHBondContact N-O 2.8Å; V184-I281 PolarHBondContact O-N 2.81Å; V184-Y283 HydrophobicContact CG2-CD1 3.89Å; V184-Y283 HydrophobicContact CG2-CE1 4.18Å |
| 185 | E | 84.7 | Confident | 71.1 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 27% | 0.271 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 159.7 | -177.4 | -58 | -170.8 | 174.7 | 0 | 0 | 111.2 | V171 Y204 F279 R280 | V171-E185 HydrophobicContact CG1-CB 4.49Å; V171-E185 WeakPolarHBondContact CG1-O 3.4Å; V171-E185 HydrophobicContact CG2-CB 4.42Å; E185-Y204 PolarHBondContact O-OH 3.05Å; E185-F279 VanDerWaalsContact CA-O 3.3Å; E185-F279 WeakPolarHBondContact CA-O 3.28Å; E185-R280 HydrophobicContact CG-CB 4.46Å; E185-R280 HydrophobicContact CG-CG 4.27Å; E185-R280 IonicContact OE1-CZ 2.72Å; E185-R280 IonicContact OE1-NE 3.92Å; E185-R280 PolarHBondContact OE1-NE 2.71Å; E185-R280 IonicContact OE1-NH2 3.7Å; E185-R280 PolarHBondContact OE1-NH2 3.27Å; E185-R280 IonicContact OE2-NH2 3.66Å; E185-R280 PolarHBondContact OE2-NH2 2.75Å |
| 186 | S | 78.4 | Confident | 69.7 | Low | 25 Ų | 25 | 74.2 Ų | 74.2 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.2 | 166.3 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | D188 G278 F279 | S186-D188 PolarHBondContact O-N 2.85Å; S186-G278 WeakPolarHBondContact OG-CA 3.42Å; S186-F279 PolarHBondContact N-O 3.49Å; S186-F279 VanDerWaalsContact N-O 3.09Å; S186-F279 PolarHBondContact OG-N 3.39Å |
| 187 | P | 73.4 | Confident | 68.2 | Low | 18 Ų | 18 | 76 Ų | 76 | 12% | 0.117 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -61 | 122.5 | -176.9 | -24.8 | 34.8 | 0 | 0 | 0 | 114 | C173 L200 Y204 | C173-P187 HydrophobicContact CB-CG 4.38Å; P187-L200 HydrophobicContact CB-CD2 4.44Å; P187-L200 HydrophobicContact CG-CD2 4.2Å; P187-Y204 WeakPolarHBondContact CD-OH 3.37Å; P187-Y204 WeakPolarHBondContact CG-OH 3.28Å |
| 188 | D | 62.2 | Low | 66.7 | Low | 141 Ų | 141 | 77.8 Ų | 77.8 | 75% | 0.754 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 127 | -171.8 | -155.9 | 3.2 | 0 | 0 | 0 | 112.9 | S186 G190 | S186-D188 PolarHBondContact O-N 2.85Å; D188-G190 PolarHBondContact O-N 2.84Å; D188-G190 VanDerWaalsContact O-N 3.08Å |
| 189 | L | 52.7 | Low | 65.7 | Low | 47 Ų | 47 | 78 Ų | 78 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 15.4 | -159.7 | -80.2 | 156.3 | 0 | 0 | 0 | 115.4 | S191 V273 P274 | L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.89Å; L189-V273 HydrophobicContact CD1-CG1 3.46Å; L189-V273 VanDerWaalsContact CD1-CG1 3.46Å; L189-V273 HydrophobicContact CD2-CG1 4.03Å; L189-V273 HydrophobicContact CG-CG1 4.33Å; L189-P274 HydrophobicContact CD1-CB 4.26Å; L189-P274 HydrophobicContact CD1-CG 3.76Å |
| 190 | G | 50.6 | Low | 65.3 | Low | 62 Ų | 62 | 72.9 Ų | 72.9 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D188 | D188-G190 PolarHBondContact O-N 2.84Å; D188-G190 VanDerWaalsContact O-N 3.08Å |
| 191 | S | 48.6 | Very low | 65.5 | Low | 42 Ų | 42 | 74.2 Ų | 74.2 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -68.2 | 136.2 | -173.3 | -177.6 | 0 | 0 | 0 | 0 | 113.5 | L189 V193 | L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.89Å; S191-V193 PolarHBondContact O-N 3.07Å |
| 192 | P | 46.9 | Very low | 65.3 | Low | 108 Ų | 108 | 69.6 Ų | 69.6 | 70% | 0.701 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -67.1 | -16.4 | -179.4 | 27.8 | -35.7 | 0 | 0 | 0 | 114.2 | ||
| 193 | V | 48.7 | Very low | 65.2 | Low | 115 Ų | 115 | 71 Ų | 71 | 70% | 0.697 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -73.8 | -30.6 | -176.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | S191 R195 T196 | S191-V193 PolarHBondContact O-N 3.07Å; V193-R195 PolarHBondContact O-N 3.32Å; V193-T196 PolarHBondContact O-OG1 2.84Å |
| 194 | S | 46.9 | Very low | 65.2 | Low | 41 Ų | 41 | 65.3 Ų | 65.3 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -89.3 | 10.6 | -167 | -161.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 195 | R | 49.3 | Very low | 65.2 | Low | 186 Ų | 186 | 66.9 Ų | 66.9 | 70% | 0.702 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -93.2 | 6.2 | -173 | -56.8 | -173.7 | -171.1 | -179 | 4.4 | 114.6 | V193 | V193-R195 PolarHBondContact O-N 3.32Š|
| 196 | T | 50.1 | Low | 65.4 | Low | 119 Ų | 119 | 64.1 Ų | 64.1 | 73% | 0.73 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -117 | -11 | -169.9 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | V193 | V193-T196 PolarHBondContact O-OG1 2.84Š|
| 197 | L | 54.4 | Low | 65.9 | Low | 128 Ų | 128 | 65.5 Ų | 65.5 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | trans | -111.3 | 126.3 | -179.4 | -70.3 | 167 | 0 | 0 | 0 | 109.6 | ||||
| 198 | G | 55 | Low | 66.6 | Low | 55 Ų | 55 | 65.3 Ų | 65.3 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -79.1 | -20.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P271 R272 | G198-P271 CarbonylContact O-C 3.58Å; G198-P271 VanDerWaalsContact O-C 3.25Å; G198-R272 VanDerWaalsContact O-CA 3.29Å; G198-R272 WeakPolarHBondContact O-CA 3.31Å; G198-R272 PolarHBondContact O-N 2.76Å |
| 199 | L | 64.5 | Low | 67.6 | Low | 89 Ų | 89 | 66.6 Ų | 66.6 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | trans | -124.1 | 135.6 | 178.2 | -179.1 | 149.4 | 0 | 0 | 0 | 108.7 | D201 S270 P271 | L199-D201 HydrophobicContact CD2-CB 4.03Å; L199-S270 WeakPolarHBondContact CA-O 3.03Å; L199-P271 HydrophobicContact CD1-CB 4.48Å | ||
| 200 | L | 74.9 | Confident | 69 | Low | 26 Ų | 26 | 67.6 Ų | 67.6 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.4 | 179.2 | -176 | 68.5 | 0 | 0 | 0 | 108.1 | P187 F268 Q269 S270 | P187-L200 HydrophobicContact CB-CD2 4.44Å; P187-L200 HydrophobicContact CG-CD2 4.2Å; L200-F268 HydrophobicContact CD2-CE1 4.17Å; L200-Q269 WeakPolarHBondContact O-CA 3.44Å; L200-S270 PolarHBondContact N-O 2.93Å; L200-S270 PolarHBondContact O-N 3.48Å |
| 201 | D | 81.1 | Confident | 70.2 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113 | 178.2 | -172.1 | -56.1 | 0 | 0 | 0 | 107.6 | C173 L199 H267 Q269 | C173-D201 PolarHBondContact SG-O 3.19Å; L199-D201 HydrophobicContact CD2-CB 4.03Å; D201-H267 IonicContact OD1-CE1 3.44Å; D201-H267 PolarHBondContact OD1-CE1 2.83Å; D201-H267 IonicContact OD1-ND1 2.71Å; D201-H267 IonicContact OD2-CE1 3.53Å; D201-H267 PolarHBondContact OD2-CE1 2.89Å; D201-H267 IonicContact OD2-NE2 2.67Å; D201-Q269 PolarHBondContact OD2-NE2 3.29Å |
| 202 | C | 83.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.2 | -172.1 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | C173 N174 Y204 F268 | C173-C202 HydrophobicContact CB-CB 4.05Å; C173-C202 WeakPolarHBondContact CB-SG 3.3Å; C173-C202 WeakPolarHBondContact SG-CA 3.32Å; C173-C202 WeakPolarHBondContact SG-CB 3.26Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.83Å; N174-C202 WeakPolarHBondContact OD1-CA 3.14Å; C202-Y204 HydrophobicContact CB-CE2 4.13Å; C202-F268 PolarHBondContact N-O 3.2Å; C202-F268 PolarHBondContact O-N 2.93Å |
| 203 | T | 86.2 | Confident | 73.6 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 102.8 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | N174 L265 L266 H267 | N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 2.97Å; T203-L265 HydrophobicContact CG2-CB 4.49Å; T203-L265 HydrophobicContact CG2-CD2 4.06Å; T203-L266 CarbonylContact C-O 3.57Å; T203-L266 WeakPolarHBondContact CA-O 3.18Å; T203-H267 PolarHBondContact OG1-ND1 3.39Å |
| 204 | Y | 88.8 | Confident | 75.5 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.8 | 174.4 | -55.6 | -93 | 0 | 0 | 0 | 109.7 | V171 L172 N175 V184 E185 P187 C202 L265 L266 F279 | V171-Y204 HydrophobicContact CG1-CE1 4.3Å; V171-Y204 WeakPolarHBondContact CG1-OH 3.4Å; L172-Y204 VanDerWaalsContact O-CE1 3.31Å; L172-Y204 WeakPolarHBondContact O-CE1 3.39Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; N175-Y204 WeakPolarHBondContact O-CA 3.21Å; V184-Y204 HydrophobicContact CG1-CD1 3.7Å; V184-Y204 HydrophobicContact CG1-CD2 3.69Å; V184-Y204 HydrophobicContact CG1-CE1 3.91Å; V184-Y204 HydrophobicContact CG1-CE2 3.89Å; V184-Y204 HydrophobicContact CG1-CG 3.57Å; E185-Y204 PolarHBondContact O-OH 3.05Å; P187-Y204 WeakPolarHBondContact CD-OH 3.37Å; P187-Y204 WeakPolarHBondContact CG-OH 3.28Å; C202-Y204 HydrophobicContact CB-CE2 4.13Å; Y204-L265 CarbonylContact O-C 3.54Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.25Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 2.74Å; Y204-L266 PolarHBondContact O-N 2.8Å; Y204-F279 AromaticContact CE2-CZ 3.98Å; Y204-F279 HydrophobicContact CE2-CZ 3.98Å |
| 205 | S | 88.9 | Confident | 77.6 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 105.8 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | N175 N176 I177 | N175-S205 PolarHBondContact O-N 2.85Å; N175-S205 VanDerWaalsContact O-N 3.08Å; N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 PolarHBondContact OD1-O 3.06Å; N176-S205 VanDerWaalsContact OD1-O 3.1Å; N176-S205 PolarHBondContact OD1-OG 2.9Å; I177-S205 PolarHBondContact N-O 3.49Å |
| 206 | I | 89.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.2 | 176 | -51.9 | 167.6 | 0 | 0 | 0 | 108.3 | I177 V184 I214 R263 L264 L266 Y283 | I177-I206 HydrophobicContact CB-CG1 4.33Å; I177-I206 HydrophobicContact CD1-CG1 4.42Å; I177-I206 CarbonylContact O-C 3.51Å; I177-I206 WeakPolarHBondContact O-CA 3.18Å; V184-I206 HydrophobicContact CG2-CD1 4.02Å; V184-I206 HydrophobicContact CG2-CG1 4.48Å; I206-I214 HydrophobicContact CB-CD1 4.07Å; I206-I214 HydrophobicContact CG2-CD1 3.79Å; I206-I214 HydrophobicContact CG2-CG1 4.23Å; I206-I214 HydrophobicContact CG2-CG2 4.1Å; I206-I214 WeakPolarHBondContact O-CD1 3.39Å; I206-R263 WeakPolarHBondContact O-CA 3.37Å; I206-L264 HydrophobicContact CB-CB 4.44Å; I206-L264 PolarHBondContact N-O 3.48Å; I206-L264 PolarHBondContact O-N 3.39Å; I206-L266 HydrophobicContact CD1-CD1 4.08Å; I206-Y283 HydrophobicContact CD1-CD1 4.11Å; I206-Y283 HydrophobicContact CD1-CD2 4.28Å; I206-Y283 HydrophobicContact CD1-CG 3.83Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 4.04Å; I206-Y283 HydrophobicContact CG2-CG 4.42Å |
| 207 | H | 87.7 | Confident | 81.5 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 127.1 | -178.4 | 58.6 | -60.9 | 0 | 0 | 0 | 112 | N176 I177 N262 R263 | N176-H207 PolarHBondContact ND2-CE1 2.03Å; N176-H207 PolarHBondContact ND2-NE2 2.84Å; N176-H207 PolarHBondContact OD1-CE1 2.81Å; N176-H207 VanDerWaalsContact OD1-CE1 3.24Å; N176-H207 PolarHBondContact OD1-ND1 2.68Å; I177-H207 PolarHBondContact O-CE1 2.91Å; I177-H207 PolarHBondContact O-N 3.48Å; I177-H207 PolarHBondContact O-ND1 3.18Å; H207-N262 WeakPolarHBondContact CA-O 3.44Å; H207-R263 HydrophobicContact CB-CG 3.93Å |
| 208 | V | 88.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | trans | -119.6 | 179 | -174.7 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | Y212 I214 N262 | V208-Y212 WeakPolarHBondContact CG2-O 3.44Å; V208-I214 HydrophobicContact CB-CG1 4.36Å; V208-I214 HydrophobicContact CG1-CD1 4.22Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.29Å; V208-I214 HydrophobicContact CG2-CG1 3.76Å; V208-N262 HydrophobicContact CG2-CB 3.97Å; V208-N262 PolarHBondContact N-O 2.9Å; V208-N262 PolarHBondContact O-ND2 2.61Å | ||
| 209 | Y | 84.1 | Confident | 84.8 | Confident | 168 Ų | 168 | 40.5 Ų | 40.5 | 66% | 0.659 | 20% | 0.199 | S | C | * | . | trans | -61 | 139.9 | -177.8 | -71.6 | -77.2 | 0 | 0 | 0 | 112.4 | G211 Y212 | Y209-G211 PolarHBondContact O-N 3.23Å; Y209-Y212 PolarHBondContact O-N 3.41Å | ||
| 210 | P | 81.7 | Confident | 85.7 | Confident | 67 Ų | 67 | 39 Ų | 39 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.4 | 176.7 | -25 | 34.7 | 0 | 0 | 0 | 111.8 | ||
| 211 | G | 74.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -12.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y209 L289 L290 G335 | Y209-G211 PolarHBondContact O-N 3.23Å; G211-L289 CarbonylContact O-C 3.54Å; G211-L289 WeakPolarHBondContact O-CA 3.31Å; G211-L290 PolarHBondContact O-N 2.76Å; G211-G335 PolarHBondContact N-O 2.92Å |
| 212 | Y | 82.9 | Confident | 86.4 | Confident | 88 Ų | 88 | 41 Ų | 41 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 151.8 | 170.6 | -65 | -89.3 | 0 | 0 | 0 | 111.5 | V208 Y209 N262 D286 L289 L290 | V208-Y212 WeakPolarHBondContact CG2-O 3.44Å; Y209-Y212 PolarHBondContact O-N 3.41Å; Y212-N262 WeakPolarHBondContact O-CA 3.2Å; Y212-N262 WeakPolarHBondContact O-CB 3.48Å; Y212-D286 HydrophobicContact CD1-CB 4.26Å; Y212-L289 HydrophobicContact CD1-CD2 3.77Å; Y212-L289 HydrophobicContact CD1-CG 4.36Å; Y212-L289 HydrophobicContact CE1-CD2 3.45Å; Y212-L289 VanDerWaalsContact CE1-CD2 3.45Å; Y212-L289 HydrophobicContact CE1-CG 4.12Å; Y212-L289 HydrophobicContact CE2-CD2 4.26Å; Y212-L289 HydrophobicContact CG-CD2 4.34Å; Y212-L290 WeakPolarHBondContact O-CD1 3.13Å |
| 213 | G | 85.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -179 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y288 | G213-Y288 VanDerWaalsContact CA-CZ 3.48Å; G213-Y288 PolarHBondContact N-O 3.36Å |
| 214 | I | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 112.9 | -179.4 | -59.8 | 157.8 | 0 | 0 | 0 | 107.5 | I206 V208 I216 S259 L264 Y288 | I206-I214 HydrophobicContact CB-CD1 4.07Å; I206-I214 HydrophobicContact CG2-CD1 3.79Å; I206-I214 HydrophobicContact CG2-CG1 4.23Å; I206-I214 HydrophobicContact CG2-CG2 4.1Å; I206-I214 WeakPolarHBondContact O-CD1 3.39Å; V208-I214 HydrophobicContact CB-CG1 4.36Å; V208-I214 HydrophobicContact CG1-CD1 4.22Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.29Å; V208-I214 HydrophobicContact CG2-CG1 3.76Å; I214-I216 HydrophobicContact CG2-CG2 4.17Å; I214-S259 PolarHBondContact N-OG 3.33Å; I214-S259 PolarHBondContact O-N 2.98Å; I214-S259 PolarHBondContact O-OG 2.88Å; I214-L264 HydrophobicContact CB-CB 4.37Å; I214-L264 HydrophobicContact CD1-CB 3.73Å; I214-L264 HydrophobicContact CG2-CB 4.31Å; I214-L264 HydrophobicContact CG2-CD2 3.98Å; I214-Y288 PolarHBondContact N-OH 3.35Å; I214-Y288 VanDerWaalsContact N-OH 3.09Å; I214-Y288 PolarHBondContact O-OH 2.95Å |
| 215 | E | 90.3 | Very high | 85.1 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.4 | 169.7 | -173.4 | 165.1 | 110.1 | 0 | 0 | 107.6 | V256 L257 R258 Y283 Q284 Y288 | E215-V256 HydrophobicContact CG-CG1 3.55Å; E215-L257 WeakPolarHBondContact CA-O 3.02Å; E215-R258 HydrophobicContact CB-CG 4.45Å; E215-R258 HydrophobicContact CG-CG 4.25Å; E215-R258 IonicContact OE2-CZ 3.24Å; E215-R258 IonicContact OE2-NE 3.45Å; E215-R258 PolarHBondContact OE2-NE 3.02Å; E215-R258 IonicContact OE2-NH2 2.61Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; E215-Y283 CarbonylContact O-C 3.44Å; E215-Y283 WeakPolarHBondContact O-CA 3.33Å; E215-Q284 PolarHBondContact N-O 3.42Å; E215-Q284 PolarHBondContact O-N 3.01Å; E215-Y288 HydrophobicContact CB-CD1 4.29Å; E215-Y288 HydrophobicContact CB-CE1 3.94Å |
| 216 | I | 91.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.9 | 170.9 | 60.7 | 165 | 0 | 0 | 0 | 110.4 | I214 V231 V256 L257 L264 L266 I281 H282 | I214-I216 HydrophobicContact CG2-CG2 4.17Å; I216-V231 HydrophobicContact CD1-CG1 3.84Å; I216-V231 HydrophobicContact CD1-CG2 4.07Å; I216-V256 CarbonylContact O-C 3.58Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; I216-L257 HydrophobicContact CD1-CB 4.29Å; I216-L257 HydrophobicContact CD1-CD1 4.3Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.83Å; I216-L257 PolarHBondContact O-N 2.86Å; I216-L264 HydrophobicContact CD1-CD2 4.21Å; I216-L264 HydrophobicContact CG1-CD2 4.4Å; I216-L264 HydrophobicContact CG2-CD2 3.44Å; I216-L264 VanDerWaalsContact CG2-CD2 3.44Å; I216-L266 HydrophobicContact CD1-CD2 4.28Å; I216-I281 HydrophobicContact CB-CG2 3.7Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.93Å; I216-H282 CarbonylContact C-O 3.5Å; I216-H282 WeakPolarHBondContact CA-O 3.29Å |
| 217 | Q | 91.1 | Very high | 83.9 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.1 | 169.5 | -173.9 | 175.6 | 38.2 | 0 | 0 | 109.3 | Q219 Q255 V256 H282 | Q217-Q219 PolarHBondContact O-N 3.41Å; Q217-Q255 WeakPolarHBondContact CA-O 3.48Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.05Å; Q217-H282 HydrophobicContact CB-CB 4.48Å; Q217-H282 PolarHBondContact N-O 3.32Å; Q217-H282 PolarHBondContact O-N 2.84Å |
| 218 | V | 90.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113 | 173.5 | -178 | 0 | 0 | 0 | 0 | 108.3 | L221 L251 G252 G254 Q255 I281 | V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; V218-L251 HydrophobicContact CG2-CD2 3.88Å; V218-G252 WeakPolarHBondContact CB-O 3.41Å; V218-G252 WeakPolarHBondContact CG1-O 3.17Å; V218-G254 PolarHBondContact O-N 3.04Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.86Å; V218-I281 HydrophobicContact CG2-CG1 4.46Å |
| 219 | Q | 87.6 | Confident | 83.7 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -46.1 | 178.6 | -68 | -162 | -26.8 | 0 | 0 | 112.3 | Q217 R280 H282 | Q217-Q219 PolarHBondContact O-N 3.41Å; Q219-R280 HydrophobicContact CB-CB 4.43Å; Q219-R280 HydrophobicContact CB-CG 4.19Å; Q219-R280 PolarHBondContact N-O 2.82Å; Q219-R280 VanDerWaalsContact OE1-CD 3.26Å; Q219-H282 HydrophobicContact CG-CB 4.09Å |
| 220 | T | 83.7 | Confident | 84 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.2 | 173.4 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | E253 F279 R280 | T220-E253 WeakPolarHBondContact CA-OE1 3.46Å; T220-F279 CarbonylContact O-C 3.51Å; T220-F279 VanDerWaalsContact O-CA 3.31Å; T220-F279 WeakPolarHBondContact O-CA 3.34Å; T220-R280 PolarHBondContact N-O 3.13Å; T220-R280 PolarHBondContact O-N 3.45Å; T220-R280 VanDerWaalsContact OG1-CB 3.32Å; T220-R280 WeakPolarHBondContact OG1-CB 3.02Å; T220-R280 PolarHBondContact OG1-N 2.81Å |
| 221 | L | 86.6 | Confident | 84.4 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 92.6 | -177.5 | -171.5 | 74.7 | 0 | 0 | 0 | 111.2 | V218 L223 L229 L251 E253 F279 | V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; L221-L223 HydrophobicContact CD1-CD1 3.86Å; L221-L223 HydrophobicContact CD1-CG 3.92Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L221-L229 HydrophobicContact CD1-CD2 3.94Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 VanDerWaalsContact CD2-O 3.3Å; L221-L251 WeakPolarHBondContact CD2-O 3.48Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 2.73Å; L221-F279 HydrophobicContact CD1-CB 4.06Å |
| 222 | N | 83.6 | Confident | 85 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 74.2 | 179 | -177.2 | 23.9 | 0 | 0 | 0 | 109.7 | G276 G277 G278 | N222-G276 PolarHBondContact ND2-O 2.62Å; N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.04Å; N222-G278 PolarHBondContact N-O 2.74Å; N222-G278 PolarHBondContact O-N 2.72Å |
| 223 | L | 81.1 | Confident | 85 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.199 | 23% | 0.232 | C | C | . | . | trans | -94.9 | 142.5 | 178.8 | -57 | -177.6 | 0 | 0 | 0 | 110.8 | L221 E227 L229 F268 F279 | L221-L223 HydrophobicContact CD1-CD1 3.86Å; L221-L223 HydrophobicContact CD1-CG 3.92Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L223-E227 HydrophobicContact CB-CB 4.3Å; L223-L229 HydrophobicContact CD1-CB 3.66Å; L223-L229 HydrophobicContact CD1-CD2 4.29Å; L223-F268 HydrophobicContact CD2-CE2 3.93Å; L223-F279 HydrophobicContact CD2-CB 4.49Å; L223-F279 HydrophobicContact CD2-CD1 4.36Å | ||
| 224 | S | 77.6 | Confident | 84.3 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | trans | -79.2 | 165.5 | 171 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | E226 E227 | S224-E226 PolarHBondContact O-N 3.09Å; S224-E227 WeakPolarHBondContact CB-OE2 3.31Å; S224-E227 PolarHBondContact N-OE2 2.8Å; S224-E227 PolarHBondContact O-N 2.03Å; S224-E227 VanDerWaalsContact OG-CD 3.27Å; S224-E227 WeakPolarHBondContact OG-CG 3.4Å; S224-E227 PolarHBondContact OG-OE2 2.94Å | ||
| 225 | Q | 71.6 | Confident | 83.1 | Confident | 208 Ų | 208 | 46.8 Ų | 46.8 | 97% | 0.972 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -7.8 | -179.6 | -70 | -175.5 | -21.5 | 0 | 0 | 114.9 | ||
| 226 | E | 73.6 | Confident | 81.6 | Confident | 100 Ų | 100 | 47.3 Ų | 47.3 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -0.4 | 175.6 | -62.5 | -176 | -170.3 | 0 | 0 | 112.4 | S224 P271 R272 | S224-E226 PolarHBondContact O-N 3.09Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.26Å; E226-P271 WeakPolarHBondContact O-CG 3.44Å; E226-R272 IonicContact OE1-CZ 2.73Å; E226-R272 IonicContact OE1-NE 2.73Å; E226-R272 IonicContact OE1-NH2 3.84Å; E226-R272 PolarHBondContact OE1-NH2 3.28Å; E226-R272 IonicContact OE2-CZ 3.23Å; E226-R272 IonicContact OE2-NE 3.14Å; E226-R272 PolarHBondContact OE2-NE 3.19Å; E226-R272 IonicContact OE2-NH2 3.34Å; E226-R272 PolarHBondContact OE2-NH2 3.34Å |
| 227 | E | 80.9 | Confident | 79.8 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | trans | -105.8 | 129.5 | -177.5 | -76.8 | 167.2 | 134.2 | 0 | 0 | 111.3 | L223 S224 F268 Q269 S270 P274 | L223-E227 HydrophobicContact CB-CB 4.3Å; S224-E227 WeakPolarHBondContact CB-OE2 3.31Å; S224-E227 PolarHBondContact N-OE2 2.8Å; S224-E227 PolarHBondContact O-N 2.03Å; S224-E227 VanDerWaalsContact OG-CD 3.27Å; S224-E227 WeakPolarHBondContact OG-CG 3.4Å; S224-E227 PolarHBondContact OG-OE2 2.94Å; E227-F268 HydrophobicContact CB-CE2 4.16Å; E227-F268 HydrophobicContact CG-CE2 4.38Å; E227-F268 HydrophobicContact CG-CZ 4.35Å; E227-Q269 WeakPolarHBondContact CA-O 3.45Å; E227-S270 WeakPolarHBondContact CG-OG 3.32Å; E227-S270 PolarHBondContact OE1-OG 2.85Å; E227-P274 WeakPolarHBondContact OE1-CB 3.15Å | ||
| 228 | E | 84.1 | Confident | 77.7 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.6 | -179.9 | -171.2 | 167.1 | -141.5 | 0 | 0 | 111.3 | L230 F268 Q269 | E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.03Å; E228-F268 WeakPolarHBondContact O-CA 3.21Å; E228-F268 WeakPolarHBondContact O-CD2 3.24Å; E228-Q269 PolarHBondContact N-O 3.01Å; E228-Q269 PolarHBondContact O-N 2.86Å |
| 229 | L | 87.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 117.2 | 175.4 | -179.8 | 61.8 | 0 | 0 | 0 | 108.8 | L221 L223 N247 S248 L251 H267 F268 F279 I281 | L221-L229 HydrophobicContact CD1-CD2 3.94Å; L223-L229 HydrophobicContact CD1-CB 3.66Å; L223-L229 HydrophobicContact CD1-CD2 4.29Å; L229-N247 CarbonylContact O-C 3.53Å; L229-S248 PolarHBondContact O-N 3.4Å; L229-L251 HydrophobicContact CD2-CD1 4Å; L229-L251 HydrophobicContact CG-CD1 4.1Å; L229-H267 WeakPolarHBondContact CA-O 3.38Å; L229-F268 HydrophobicContact CB-CD2 4.46Å; L229-F268 HydrophobicContact CD1-CB 4.01Å; L229-F268 HydrophobicContact CD1-CD2 4.43Å; L229-F279 HydrophobicContact CD1-CE1 4.22Å; L229-F279 HydrophobicContact CD1-CZ 4.21Å; L229-F279 HydrophobicContact CD2-CB 4.23Å; L229-F279 HydrophobicContact CD2-CD1 4.16Å; L229-F279 HydrophobicContact CD2-CD2 4.22Å; L229-F279 HydrophobicContact CD2-CG 3.95Å; L229-I281 HydrophobicContact CD2-CD1 4.14Å |
| 230 | L | 88.9 | Confident | 74.5 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.4 | -178.3 | -57.4 | -178.9 | 0 | 0 | 0 | 110.6 | E228 L232 L244 N247 H267 | E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.03Å; L230-L232 HydrophobicContact CB-CD1 4.34Å; L230-L232 HydrophobicContact CB-CG 4.32Å; L230-L244 HydrophobicContact CB-CD1 4.05Å; L230-L244 HydrophobicContact CD2-CD1 4.01Å; L230-L244 HydrophobicContact CG-CD1 4.49Å; L230-N247 HydrophobicContact CD2-CB 3.8Å; L230-H267 HydrophobicContact CB-CB 4.4Å; L230-H267 PolarHBondContact N-O 2.03Å; L230-H267 PolarHBondContact O-N 3.46Å |
| 231 | V | 90.1 | Very high | 73.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.7 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | I216 L245 A246 L251 L264 L266 | I216-V231 HydrophobicContact CD1-CG1 3.84Å; I216-V231 HydrophobicContact CD1-CG2 4.07Å; V231-L245 HydrophobicContact CB-CB 4.49Å; V231-L245 HydrophobicContact CG1-CB 4.16Å; V231-L245 HydrophobicContact CG1-CD1 4.28Å; V231-L245 WeakPolarHBondContact O-CB 3.32Å; V231-L245 PolarHBondContact O-N 2.95Å; V231-A246 HydrophobicContact CB-CB 4.29Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 2.93Å; V231-A246 PolarHBondContact O-N 2.85Å; V231-L251 HydrophobicContact CG2-CD1 4.03Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; V231-L264 HydrophobicContact CG1-CD1 3.78Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; V231-L264 HydrophobicContact CG1-CG 4.41Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.12Å; V231-L266 HydrophobicContact CG2-CD2 3.85Å |
| 232 | L | 87.5 | Confident | 73.2 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.1 | -168.4 | -66.8 | 159.5 | 0 | 0 | 0 | 110.9 | L230 G234 P242 R243 L244 L265 H267 | L230-L232 HydrophobicContact CB-CD1 4.34Å; L230-L232 HydrophobicContact CB-CG 4.32Å; L232-G234 PolarHBondContact O-N 3.45Å; L232-P242 HydrophobicContact CB-CB 4.02Å; L232-P242 HydrophobicContact CD2-CB 4.27Å; L232-R243 CarbonylContact C-O 3.52Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; L232-L244 HydrophobicContact CD2-CB 4.24Å; L232-L244 HydrophobicContact CD2-CD1 3.94Å; L232-L244 HydrophobicContact CG-CD1 4.5Å; L232-L265 HydrophobicContact CB-CB 4.05Å; L232-L265 PolarHBondContact N-O 3.46Å; L232-L265 PolarHBondContact O-N 3.22Å; L232-H267 HydrophobicContact CD1-CB 4.06Å |
| 233 | A | 82.8 | Confident | 73.1 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P242 R243 L245 P260 | A233-P242 WeakPolarHBondContact O-CA 3.45Å; A233-R243 HydrophobicContact CB-CB 4.42Å; A233-R243 PolarHBondContact N-O 2.76Å; A233-R243 PolarHBondContact O-N 2.9Å; A233-R243 VanDerWaalsContact O-N 3.1Å; A233-L245 HydrophobicContact CB-CD1 4.12Å; A233-L245 HydrophobicContact CB-CD2 4.05Å; A233-L245 HydrophobicContact CB-CG 4.13Å; A233-P260 HydrophobicContact CB-CG 3.85Å |
| 234 | G | 71.8 | Confident | 73.3 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 6% | 0.062 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 166.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L232 T261 R263 | L232-G234 PolarHBondContact O-N 3.45Å; G234-T261 WeakPolarHBondContact O-CB 3.48Å; G234-T261 WeakPolarHBondContact O-CG2 3.47Å; G234-T261 PolarHBondContact O-OG1 3.36Å; G234-R263 PolarHBondContact N-O 2.81Å |
| 235 | G | 63.8 | Low | 73.6 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 21% | 0.206 | 41% | 0.411 | C | S | . | . | trans | 83 | 36.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116 | T336 | G235-T336 VanDerWaalsContact O-CB 3.29Å; G235-T336 WeakPolarHBondContact O-CB 3.41Å; G235-T336 PolarHBondContact O-OG1 2.9Å | ||
| 236 | G | 56.9 | Low | 74.3 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 54% | 0.536 | 37% | 0.366 | S | S | . | . | trans | -75.8 | -176.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 237 | S | 53.7 | Low | 74.9 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -56 | 146.3 | 175.9 | -46.6 | 0 | 0 | 0 | 0 | 111.9 | G239 L240 | S237-G239 PolarHBondContact O-N 3.33Å; S237-L240 PolarHBondContact O-N 2.95Å; S237-L240 VanDerWaalsContact O-N 3.13Å |
| 238 | P | 47.3 | Very low | 75 | Confident | 141 Ų | 141 | 57.8 Ų | 57.8 | 92% | 0.916 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 111.5 | -174.3 | 24.5 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 239 | G | 53.5 | Low | 74.8 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 89% | 0.887 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.7 | -18.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S237 | S237-G239 PolarHBondContact O-N 3.33Š|
| 240 | L | 58.9 | Low | 74.5 | Confident | 130 Ų | 130 | 64.6 Ų | 64.6 | 68% | 0.681 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 141.6 | 174.2 | -75.8 | 107.7 | 0 | 0 | 0 | 112.6 | S237 | S237-L240 PolarHBondContact O-N 2.95Å; S237-L240 VanDerWaalsContact O-N 3.13Å |
| 241 | A | 64.1 | Low | 74.1 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 72% | 0.719 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 156.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R243 | A241-R243 PolarHBondContact O-N 3.37Š|
| 242 | P | 77.1 | Confident | 73.9 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -60 | 135.7 | 173.8 | -20.6 | 32.8 | 0 | 0 | 0 | 111.6 | L232 A233 | L232-P242 HydrophobicContact CB-CB 4.02Å; L232-P242 HydrophobicContact CD2-CB 4.27Å; A233-P242 WeakPolarHBondContact O-CA 3.45Å |
| 243 | R | 82 | Confident | 73.8 | Confident | 172 Ų | 172 | 69.9 Ų | 69.9 | 65% | 0.649 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.3 | -180 | 170.6 | 174.4 | 170.2 | 171.5 | -2 | 110.5 | L232 A233 A241 L245 | L232-R243 CarbonylContact C-O 3.52Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; A233-R243 HydrophobicContact CB-CB 4.42Å; A233-R243 PolarHBondContact N-O 2.76Å; A233-R243 PolarHBondContact O-N 2.9Å; A233-R243 VanDerWaalsContact O-N 3.1Å; A241-R243 PolarHBondContact O-N 3.37Å; R243-L245 PolarHBondContact O-N 2.8Å |
| 244 | L | 85.1 | Confident | 73.8 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 132.7 | 170.9 | -168.9 | 67.7 | 0 | 0 | 0 | 111.3 | L230 L232 A246 | L230-L244 HydrophobicContact CB-CD1 4.05Å; L230-L244 HydrophobicContact CD2-CD1 4.01Å; L230-L244 HydrophobicContact CG-CD1 4.49Å; L232-L244 HydrophobicContact CD2-CB 4.24Å; L232-L244 HydrophobicContact CD2-CD1 3.94Å; L232-L244 HydrophobicContact CG-CD1 4.5Å; L244-A246 WeakPolarHBondContact CD1-O 3.49Å |
| 245 | L | 85.1 | Confident | 74.5 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -41.8 | 173.9 | -57.6 | -176.2 | 0 | 0 | 0 | 111.3 | V231 A233 R243 P260 L264 | V231-L245 HydrophobicContact CB-CB 4.49Å; V231-L245 HydrophobicContact CG1-CB 4.16Å; V231-L245 HydrophobicContact CG1-CD1 4.28Å; V231-L245 WeakPolarHBondContact O-CB 3.32Å; V231-L245 PolarHBondContact O-N 2.95Å; A233-L245 HydrophobicContact CB-CD1 4.12Å; A233-L245 HydrophobicContact CB-CD2 4.05Å; A233-L245 HydrophobicContact CB-CG 4.13Å; R243-L245 PolarHBondContact O-N 2.8Å; L245-P260 HydrophobicContact CD2-CG 4.05Å; L245-L264 HydrophobicContact CD1-CD1 3.84Å |
| 246 | A | 85.5 | Confident | 75.7 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.017 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 151.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V231 L244 M250 L251 L257 | V231-A246 HydrophobicContact CB-CB 4.29Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 2.93Å; V231-A246 PolarHBondContact O-N 2.85Å; L244-A246 WeakPolarHBondContact CD1-O 3.49Å; A246-M250 HydrophobicContact CB-CB 4.09Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.22Å; A246-L257 HydrophobicContact CB-CD1 3.55Å |
| 247 | N | 86.3 | Confident | 77.1 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | trans | -110.9 | 178.4 | 169.9 | 71.1 | -9.7 | 0 | 0 | 0 | 110.7 | L229 L230 S249 M250 L251 | L229-N247 CarbonylContact O-C 3.53Å; L230-N247 HydrophobicContact CD2-CB 3.8Å; N247-S249 VanDerWaalsContact CG-OG 3.32Å; N247-S249 PolarHBondContact ND2-OG 2.8Å; N247-S249 PolarHBondContact O-N 2.91Å; N247-S249 VanDerWaalsContact O-N 3.12Å; N247-S249 PolarHBondContact OD1-N 3.17Å; N247-S249 PolarHBondContact OD1-OG 2.87Å; N247-M250 PolarHBondContact O-N 3.39Å; N247-M250 WeakPolarHBondContact OD1-CB 3.46Å; N247-M250 VanDerWaalsContact OD1-CG 3.28Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 2.95Å; N247-M250 VanDerWaalsContact OD1-N 3.08Å; N247-L251 WeakPolarHBondContact O-CG 3.4Å; N247-L251 PolarHBondContact O-N 2.77Å | ||
| 248 | S | 82.3 | Confident | 78.7 | Confident | 39 Ų | 39 | 80.2 Ų | 80.2 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.1 | -178.9 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | L229 | L229-S248 PolarHBondContact O-N 3.4Š|
| 249 | S | 80.6 | Confident | 80.6 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.3 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 114.9 | N247 | N247-S249 VanDerWaalsContact CG-OG 3.32Å; N247-S249 PolarHBondContact ND2-OG 2.8Å; N247-S249 PolarHBondContact O-N 2.91Å; N247-S249 VanDerWaalsContact O-N 3.12Å; N247-S249 PolarHBondContact OD1-N 3.17Å; N247-S249 PolarHBondContact OD1-OG 2.87Å |
| 250 | M | 80.4 | Confident | 81.9 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.1 | 176.2 | -71.9 | 177.7 | 128.5 | 0 | 0 | 112.7 | A246 N247 | A246-M250 HydrophobicContact CB-CB 4.09Å; N247-M250 PolarHBondContact O-N 3.39Å; N247-M250 WeakPolarHBondContact OD1-CB 3.46Å; N247-M250 VanDerWaalsContact OD1-CG 3.28Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 2.95Å; N247-M250 VanDerWaalsContact OD1-N 3.08Å |
| 251 | L | 82.4 | Confident | 83.2 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | trans | -98.1 | 143.3 | 176.7 | -64.6 | 166.7 | 0 | 0 | 0 | 109.8 | V218 L221 L229 V231 A246 N247 L257 | V218-L251 HydrophobicContact CG2-CD2 3.88Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 VanDerWaalsContact CD2-O 3.3Å; L221-L251 WeakPolarHBondContact CD2-O 3.48Å; L229-L251 HydrophobicContact CD2-CD1 4Å; L229-L251 HydrophobicContact CG-CD1 4.1Å; V231-L251 HydrophobicContact CG2-CD1 4.03Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.22Å; N247-L251 WeakPolarHBondContact O-CG 3.4Å; N247-L251 PolarHBondContact O-N 2.77Å; L251-L257 HydrophobicContact CD2-CD1 3.63Å | ||
| 252 | G | 84.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | trans | -156.5 | 159.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V218 G254 Q255 | V218-G252 WeakPolarHBondContact CB-O 3.41Å; V218-G252 WeakPolarHBondContact CG1-O 3.17Å; G252-G254 PolarHBondContact O-N 2.64Å; G252-Q255 WeakPolarHBondContact O-CB 3.46Å; G252-Q255 PolarHBondContact O-N 2.94Å | ||
| 253 | E | 85.9 | Confident | 84.7 | Confident | 126 Ų | 126 | 64.3 Ų | 64.3 | 59% | 0.589 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 132.3 | -178 | -59.5 | -171.9 | 158 | 0 | 0 | 111.1 | T220 L221 Q255 | T220-E253 WeakPolarHBondContact CA-OE1 3.46Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 2.73Å; E253-Q255 VanDerWaalsContact C-N 3.32Å |
| 254 | G | 82.8 | Confident | 85.1 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -10.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V218 G252 V256 | V218-G254 PolarHBondContact O-N 3.04Å; G252-G254 PolarHBondContact O-N 2.64Å; G254-V256 PolarHBondContact O-N 2.86Å |
| 255 | Q | 86.8 | Confident | 85.3 | Confident | 85 Ų | 85 | 54 Ų | 54 | 40% | 0.397 | 29% | 0.292 | S | S | . | . | trans | -63.7 | 131.7 | 178.5 | -176 | 59.9 | 52.8 | 0 | 0 | 111.1 | Q217 V218 G252 E253 L257 | Q217-Q255 WeakPolarHBondContact CA-O 3.48Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.86Å; G252-Q255 WeakPolarHBondContact O-CB 3.46Å; G252-Q255 PolarHBondContact O-N 2.94Å; E253-Q255 VanDerWaalsContact C-N 3.32Å; Q255-L257 HydrophobicContact CG-CG 4.36Å | ||
| 256 | V | 88.6 | Confident | 85.5 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.1 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | E215 I216 Q217 G254 | E215-V256 HydrophobicContact CG-CG1 3.55Å; I216-V256 CarbonylContact O-C 3.58Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.05Å; G254-V256 PolarHBondContact O-N 2.86Å |
| 257 | L | 86.4 | Confident | 85.7 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.1 | 174.7 | -63.1 | 170.9 | 0 | 0 | 0 | 110.2 | E215 I216 A246 L251 Q255 | E215-L257 WeakPolarHBondContact CA-O 3.02Å; I216-L257 HydrophobicContact CD1-CB 4.29Å; I216-L257 HydrophobicContact CD1-CD1 4.3Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.83Å; I216-L257 PolarHBondContact O-N 2.86Å; A246-L257 HydrophobicContact CB-CD1 3.55Å; L251-L257 HydrophobicContact CD2-CD1 3.63Å; Q255-L257 HydrophobicContact CG-CG 4.36Å |
| 258 | R | 87.9 | Confident | 85.7 | Confident | 159 Ų | 159 | 51.4 Ų | 51.4 | 60% | 0.6 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.6 | 178.1 | -71.6 | -179.5 | 177.9 | 166.7 | 1.1 | 110.7 | E215 Y288 | E215-R258 HydrophobicContact CB-CG 4.45Å; E215-R258 HydrophobicContact CG-CG 4.25Å; E215-R258 IonicContact OE2-CZ 3.24Å; E215-R258 IonicContact OE2-NE 3.45Å; E215-R258 PolarHBondContact OE2-NE 3.02Å; E215-R258 IonicContact OE2-NH2 2.61Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; R258-Y288 HydrophobicContact CB-CE1 4.19Å; R258-Y288 HydrophobicContact CB-CE2 4.38Å; R258-Y288 HydrophobicContact CG-CD1 4.48Å; R258-Y288 HydrophobicContact CG-CE1 3.91Å |
| 259 | S | 86.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -69.9 | 137.9 | 171 | 70.6 | 0 | 0 | 0 | 0 | 111.5 | I214 T261 Y288 | I214-S259 PolarHBondContact N-OG 3.33Å; I214-S259 PolarHBondContact O-N 2.98Å; I214-S259 PolarHBondContact O-OG 2.88Å; S259-T261 VanDerWaalsContact CB-O 3.3Å; S259-T261 WeakPolarHBondContact CB-O 3.45Å; S259-T261 PolarHBondContact O-N 2.86Å; S259-T261 PolarHBondContact OG-O 3.13Å; S259-Y288 PolarHBondContact N-OH 3.05Å; S259-Y288 PolarHBondContact O-OH 3.4Å; S259-Y288 PolarHBondContact OG-OH 2.78Å | ||
| 260 | P | 81.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -86.4 | 19.7 | 171.8 | 38.2 | -37.7 | 0 | 0 | 0 | 112.2 | A233 L245 R337 | A233-P260 HydrophobicContact CB-CG 3.85Å; L245-P260 HydrophobicContact CD2-CG 4.05Å; P260-R337 PolarHBondContact O-NH2 2.89Å |
| 261 | T | 85.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -157.6 | 160.9 | -177.1 | 54 | 0 | 0 | 0 | 0 | 110.9 | G234 S259 R263 T336 R337 | G234-T261 WeakPolarHBondContact O-CB 3.48Å; G234-T261 WeakPolarHBondContact O-CG2 3.47Å; G234-T261 PolarHBondContact O-OG1 3.36Å; S259-T261 VanDerWaalsContact CB-O 3.3Å; S259-T261 WeakPolarHBondContact CB-O 3.45Å; S259-T261 PolarHBondContact O-N 2.86Å; S259-T261 PolarHBondContact OG-O 3.13Å; T261-R263 PolarHBondContact O-N 2.85Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 3.12Å; T261-R263 VanDerWaalsContact OG1-O 3.05Å; T261-T336 CarbonylContact C-O 3.54Å; T261-T336 WeakPolarHBondContact CA-O 3.4Å; T261-T336 VanDerWaalsContact CB-O 3.24Å; T261-T336 WeakPolarHBondContact CB-O 3.26Å; T261-R337 HydrophobicContact CG2-CB 4.25Å |
| 262 | N | 85.4 | Confident | 84.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.6 | 11.7 | 178.1 | 84.4 | -37.1 | 0 | 0 | 0 | 114.5 | H207 V208 Y212 L290 T336 | H207-N262 WeakPolarHBondContact CA-O 3.44Å; V208-N262 HydrophobicContact CG2-CB 3.97Å; V208-N262 PolarHBondContact N-O 2.9Å; V208-N262 PolarHBondContact O-ND2 2.61Å; Y212-N262 WeakPolarHBondContact O-CA 3.2Å; Y212-N262 WeakPolarHBondContact O-CB 3.48Å; N262-L290 HydrophobicContact CB-CD1 4.28Å; N262-T336 PolarHBondContact N-O 3.24Å; N262-T336 WeakPolarHBondContact OD1-CA 3.34Å; N262-T336 VanDerWaalsContact OD1-CB 3.3Å; N262-T336 WeakPolarHBondContact OD1-CB 3.29Å; N262-T336 WeakPolarHBondContact OD1-CG2 3.36Å |
| 263 | R | 87.7 | Confident | 83.4 | Confident | 124 Ų | 124 | 53.5 Ų | 53.5 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 124.8 | -177.7 | -71.8 | -178.6 | -178.4 | -169.6 | 0.3 | 110.8 | I206 H207 G234 T261 | I206-R263 WeakPolarHBondContact O-CA 3.37Å; H207-R263 HydrophobicContact CB-CG 3.93Å; G234-R263 PolarHBondContact N-O 2.81Å; T261-R263 PolarHBondContact O-N 2.85Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 3.12Å; T261-R263 VanDerWaalsContact OG1-O 3.05Å |
| 264 | L | 89 | Confident | 82.1 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.6 | 177 | -168.8 | 70.5 | 0 | 0 | 0 | 109.4 | I206 I214 I216 V231 L245 L266 | I206-L264 HydrophobicContact CB-CB 4.44Å; I206-L264 PolarHBondContact N-O 3.48Å; I206-L264 PolarHBondContact O-N 3.39Å; I214-L264 HydrophobicContact CB-CB 4.37Å; I214-L264 HydrophobicContact CD1-CB 3.73Å; I214-L264 HydrophobicContact CG2-CB 4.31Å; I214-L264 HydrophobicContact CG2-CD2 3.98Å; I216-L264 HydrophobicContact CD1-CD2 4.21Å; I216-L264 HydrophobicContact CG1-CD2 4.4Å; I216-L264 HydrophobicContact CG2-CD2 3.44Å; I216-L264 VanDerWaalsContact CG2-CD2 3.44Å; V231-L264 HydrophobicContact CG1-CD1 3.78Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; V231-L264 HydrophobicContact CG1-CG 4.41Å; L245-L264 HydrophobicContact CD1-CD1 3.84Å; L264-L266 HydrophobicContact CD2-CD2 4.25Å; L264-L266 HydrophobicContact CG-CD2 4.49Å |
| 265 | L | 89.9 | Confident | 80.7 | Confident | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.5 | 172.8 | -73.9 | 76.7 | 0 | 0 | 0 | 108.4 | T203 Y204 L232 | T203-L265 HydrophobicContact CG2-CB 4.49Å; T203-L265 HydrophobicContact CG2-CD2 4.06Å; Y204-L265 CarbonylContact O-C 3.54Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.25Å; L232-L265 HydrophobicContact CB-CB 4.05Å; L232-L265 PolarHBondContact N-O 3.46Å; L232-L265 PolarHBondContact O-N 3.22Å |
| 266 | L | 90.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.7 | 170.9 | -57.8 | 175.3 | 0 | 0 | 0 | 107.1 | V184 T203 Y204 I206 I216 V231 L264 I281 | V184-L266 HydrophobicContact CB-CD1 4.06Å; V184-L266 HydrophobicContact CG1-CD1 4.13Å; V184-L266 HydrophobicContact CG2-CD1 4.08Å; T203-L266 CarbonylContact C-O 3.57Å; T203-L266 WeakPolarHBondContact CA-O 3.18Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 2.74Å; Y204-L266 PolarHBondContact O-N 2.8Å; I206-L266 HydrophobicContact CD1-CD1 4.08Å; I216-L266 HydrophobicContact CD1-CD2 4.28Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.12Å; V231-L266 HydrophobicContact CG2-CD2 3.85Å; L264-L266 HydrophobicContact CD2-CD2 4.25Å; L264-L266 HydrophobicContact CG-CD2 4.49Å; L266-I281 HydrophobicContact CD1-CD1 4.19Å; L266-I281 HydrophobicContact CD1-CG2 4.46Å; L266-I281 HydrophobicContact CD2-CD1 4.41Å |
| 267 | H | 88.9 | Confident | 78.1 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 116.8 | 179.9 | 177.2 | 80.3 | 0 | 0 | 0 | 109.3 | D201 T203 L229 L230 L232 | D201-H267 IonicContact OD1-CE1 3.44Å; D201-H267 PolarHBondContact OD1-CE1 2.83Å; D201-H267 IonicContact OD1-ND1 2.71Å; D201-H267 IonicContact OD2-CE1 3.53Å; D201-H267 PolarHBondContact OD2-CE1 2.89Å; D201-H267 IonicContact OD2-NE2 2.67Å; T203-H267 PolarHBondContact OG1-ND1 3.39Å; L229-H267 WeakPolarHBondContact CA-O 3.38Å; L230-H267 HydrophobicContact CB-CB 4.4Å; L230-H267 PolarHBondContact N-O 2.03Å; L230-H267 PolarHBondContact O-N 3.46Å; L232-H267 HydrophobicContact CD1-CB 4.06Å |
| 268 | F | 87.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.7 | 179.8 | 175.2 | -118.2 | 0 | 0 | 0 | 110 | L200 C202 L223 E227 E228 L229 F279 | L200-F268 HydrophobicContact CD2-CE1 4.17Å; C202-F268 PolarHBondContact N-O 3.2Å; C202-F268 PolarHBondContact O-N 2.93Å; L223-F268 HydrophobicContact CD2-CE2 3.93Å; E227-F268 HydrophobicContact CB-CE2 4.16Å; E227-F268 HydrophobicContact CG-CE2 4.38Å; E227-F268 HydrophobicContact CG-CZ 4.35Å; E228-F268 WeakPolarHBondContact O-CA 3.21Å; E228-F268 WeakPolarHBondContact O-CD2 3.24Å; L229-F268 HydrophobicContact CB-CD2 4.46Å; L229-F268 HydrophobicContact CD1-CB 4.01Å; L229-F268 HydrophobicContact CD1-CD2 4.43Å; F268-F279 HydrophobicContact CB-CE1 3.92Å; F268-F279 HydrophobicContact CB-CZ 4.29Å; F268-F279 AromaticContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD2-CD1 4.19Å; F268-F279 AromaticContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CE1-CE1 4.45Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.43Å; F268-F279 AromaticContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CZ 4.44Å |
| 269 | Q | 85.3 | Confident | 77.5 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.2 | 176.7 | -167.4 | 172.9 | 98.3 | 0 | 0 | 110.5 | L200 D201 E227 E228 | L200-Q269 WeakPolarHBondContact O-CA 3.44Å; D201-Q269 PolarHBondContact OD2-NE2 3.29Å; E227-Q269 WeakPolarHBondContact CA-O 3.45Å; E228-Q269 PolarHBondContact N-O 3.01Å; E228-Q269 PolarHBondContact O-N 2.86Å |
| 270 | S | 79.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.2 | 172.7 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | L199 L200 E227 R272 | L199-S270 WeakPolarHBondContact CA-O 3.03Å; L200-S270 PolarHBondContact N-O 2.93Å; L200-S270 PolarHBondContact O-N 3.48Å; E227-S270 WeakPolarHBondContact CG-OG 3.32Å; E227-S270 PolarHBondContact OE1-OG 2.85Å; S270-R272 PolarHBondContact O-N 2.84Å; S270-R272 PolarHBondContact OG-O 3.37Å |
| 271 | P | 71.1 | Confident | 78 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -80.7 | 7 | -179 | 34.3 | -36.5 | 0 | 0 | 0 | 113.4 | G198 L199 E226 | G198-P271 CarbonylContact O-C 3.58Å; G198-P271 VanDerWaalsContact O-C 3.25Å; L199-P271 HydrophobicContact CD1-CB 4.48Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.26Å; E226-P271 WeakPolarHBondContact O-CG 3.44Å |
| 272 | R | 65.9 | Low | 78.3 | Confident | 154 Ų | 154 | 50.5 Ų | 50.5 | 58% | 0.581 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -143.9 | 175.2 | 173.8 | -54.7 | -171.7 | -156.1 | -144 | 7.8 | 109.8 | G198 E226 S270 P274 | G198-R272 VanDerWaalsContact O-CA 3.29Å; G198-R272 WeakPolarHBondContact O-CA 3.31Å; G198-R272 PolarHBondContact O-N 2.76Å; E226-R272 IonicContact OE1-CZ 2.73Å; E226-R272 IonicContact OE1-NE 2.73Å; E226-R272 IonicContact OE1-NH2 3.84Å; E226-R272 PolarHBondContact OE1-NH2 3.28Å; E226-R272 IonicContact OE2-CZ 3.23Å; E226-R272 IonicContact OE2-NE 3.14Å; E226-R272 PolarHBondContact OE2-NE 3.19Å; E226-R272 IonicContact OE2-NH2 3.34Å; E226-R272 PolarHBondContact OE2-NH2 3.34Å; S270-R272 PolarHBondContact O-N 2.84Å; S270-R272 PolarHBondContact OG-O 3.37Å; R272-P274 WeakPolarHBondContact O-CD 3.45Å |
| 273 | V | 60.2 | Low | 78.6 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | trans | -70.8 | 115 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | L189 R275 | L189-V273 HydrophobicContact CD1-CG1 3.46Å; L189-V273 VanDerWaalsContact CD1-CG1 3.46Å; L189-V273 HydrophobicContact CD2-CG1 4.03Å; L189-V273 HydrophobicContact CG-CG1 4.33Å; V273-R275 PolarHBondContact O-N 3.4Å | ||
| 274 | P | 57 | Low | 78.6 | Confident | 22 Ų | 22 | 47 Ų | 47 | 14% | 0.143 | 24% | 0.241 | C | C | . | . | trans | -50.6 | 136.9 | 179.6 | -5.4 | -7.8 | 0 | 0 | 0 | 113.6 | L189 E227 R272 | L189-P274 HydrophobicContact CD1-CB 4.26Å; L189-P274 HydrophobicContact CD1-CG 3.76Å; E227-P274 WeakPolarHBondContact OE1-CB 3.15Å; R272-P274 WeakPolarHBondContact O-CD 3.45Å | ||
| 275 | R | 54.5 | Low | 78 | Confident | 246 Ų | 246 | 47.1 Ų | 47.1 | 93% | 0.928 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -112.6 | 62.8 | -175.1 | -69 | -171.3 | 174.4 | -171.4 | -1.5 | 112.4 | V273 G277 | V273-R275 PolarHBondContact O-N 3.4Å; R275-G277 PolarHBondContact O-N 3.27Å |
| 276 | G | 54.9 | Low | 77 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 75% | 0.753 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 77.2 | 9.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N222 | N222-G276 PolarHBondContact ND2-O 2.62Š|
| 277 | G | 65.1 | Low | 75.8 | Confident | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 27% | 0.271 | C | S | . | . | trans | -86.7 | 158.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N222 R275 | N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.04Å; R275-G277 PolarHBondContact O-N 3.27Å | ||
| 278 | G | 77 | Confident | 75.1 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S186 N222 | S186-G278 WeakPolarHBondContact OG-CA 3.42Å; N222-G278 PolarHBondContact N-O 2.74Å; N222-G278 PolarHBondContact O-N 2.72Å |
| 279 | F | 85.8 | Confident | 74.7 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.4 | 176.1 | 68.7 | -90.6 | 0 | 0 | 0 | 111.2 | V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281 | V184-F279 HydrophobicContact CG1-CE2 4.07Å; E185-F279 VanDerWaalsContact CA-O 3.3Å; E185-F279 WeakPolarHBondContact CA-O 3.28Å; S186-F279 PolarHBondContact N-O 3.49Å; S186-F279 VanDerWaalsContact N-O 3.09Å; S186-F279 PolarHBondContact OG-N 3.39Å; Y204-F279 AromaticContact CE2-CZ 3.98Å; Y204-F279 HydrophobicContact CE2-CZ 3.98Å; T220-F279 CarbonylContact O-C 3.51Å; T220-F279 VanDerWaalsContact O-CA 3.31Å; T220-F279 WeakPolarHBondContact O-CA 3.34Å; L221-F279 HydrophobicContact CD1-CB 4.06Å; L223-F279 HydrophobicContact CD2-CB 4.49Å; L223-F279 HydrophobicContact CD2-CD1 4.36Å; L229-F279 HydrophobicContact CD1-CE1 4.22Å; L229-F279 HydrophobicContact CD1-CZ 4.21Å; L229-F279 HydrophobicContact CD2-CB 4.23Å; L229-F279 HydrophobicContact CD2-CD1 4.16Å; L229-F279 HydrophobicContact CD2-CD2 4.22Å; L229-F279 HydrophobicContact CD2-CG 3.95Å; F268-F279 HydrophobicContact CB-CE1 3.92Å; F268-F279 HydrophobicContact CB-CZ 4.29Å; F268-F279 AromaticContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD2-CD1 4.19Å; F268-F279 AromaticContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CE1-CE1 4.45Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.43Å; F268-F279 AromaticContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CZ 4.44Å; F279-I281 HydrophobicContact CD2-CD1 4.03Å; F279-I281 HydrophobicContact CD2-CG1 4.14Å; F279-I281 HydrophobicContact CE2-CD1 4.39Å |
| 280 | R | 87.7 | Confident | 74.4 | Confident | 89 Ų | 89 | 52.9 Ų | 52.9 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.4 | 166.7 | 178 | 176.7 | -76.2 | 116.4 | 4.8 | 108 | Y183 E185 Q219 T220 | Y183-R280 HydrophobicContact CD1-CG 4.19Å; E185-R280 HydrophobicContact CG-CB 4.46Å; E185-R280 HydrophobicContact CG-CG 4.27Å; E185-R280 IonicContact OE1-CZ 2.72Å; E185-R280 IonicContact OE1-NE 3.92Å; E185-R280 PolarHBondContact OE1-NE 2.71Å; E185-R280 IonicContact OE1-NH2 3.7Å; E185-R280 PolarHBondContact OE1-NH2 3.27Å; E185-R280 IonicContact OE2-NH2 3.66Å; E185-R280 PolarHBondContact OE2-NH2 2.75Å; Q219-R280 HydrophobicContact CB-CB 4.43Å; Q219-R280 HydrophobicContact CB-CG 4.19Å; Q219-R280 PolarHBondContact N-O 2.82Å; Q219-R280 VanDerWaalsContact OE1-CD 3.26Å; T220-R280 PolarHBondContact N-O 3.13Å; T220-R280 PolarHBondContact O-N 3.45Å; T220-R280 VanDerWaalsContact OG1-CB 3.32Å; T220-R280 WeakPolarHBondContact OG1-CB 3.02Å; T220-R280 PolarHBondContact OG1-N 2.81Å |
| 281 | I | 90.4 | Very high | 74.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.3 | 175.7 | -69.7 | 170.8 | 0 | 0 | 0 | 107.3 | Y183 V184 I216 V218 L229 L266 F279 | Y183-I281 CarbonylContact C-O 3.56Å; Y183-I281 WeakPolarHBondContact CA-O 3.06Å; V184-I281 PolarHBondContact N-O 2.8Å; V184-I281 PolarHBondContact O-N 2.81Å; I216-I281 HydrophobicContact CB-CG2 3.7Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.93Å; V218-I281 HydrophobicContact CG2-CG1 4.46Å; L229-I281 HydrophobicContact CD2-CD1 4.14Å; L266-I281 HydrophobicContact CD1-CD1 4.19Å; L266-I281 HydrophobicContact CD1-CG2 4.46Å; L266-I281 HydrophobicContact CD2-CD1 4.41Å; F279-I281 HydrophobicContact CD2-CD1 4.03Å; F279-I281 HydrophobicContact CD2-CG1 4.14Å; F279-I281 HydrophobicContact CE2-CD1 4.39Å |
| 282 | H | 91.4 | Very high | 75 | Confident | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.111 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 136.9 | 162.9 | 179.8 | -123.1 | 0 | 0 | 0 | 107.8 | E181 G182 Y183 I216 Q217 Q219 | E181-H282 WeakPolarHBondContact CG-NE2 3Å; E181-H282 IonicContact OE1-CE1 3.17Å; E181-H282 PolarHBondContact OE1-CE1 3.2Å; E181-H282 IonicContact OE1-NE2 2.81Å; E181-H282 PolarHBondContact OE1-NE2 3.37Å; G182-H282 WeakPolarHBondContact O-CA 3.5Å; G182-H282 PolarHBondContact O-CD2 2.84Å; G182-H282 VanDerWaalsContact O-CD2 3.24Å; Y183-H282 HydrophobicContact CD1-CB 3.92Å; Y183-H282 HydrophobicContact CE1-CB 3.67Å; Y183-H282 AromaticContact CE1-CD2 3.41Å; Y183-H282 VanDerWaalsContact CE1-CD2 3.41Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y183-H282 AromaticContact CE1-CG 3.82Å; Y183-H282 AromaticContact CZ-CD2 3.57Å; I216-H282 CarbonylContact C-O 3.5Å; I216-H282 WeakPolarHBondContact CA-O 3.29Å; Q217-H282 HydrophobicContact CB-CB 4.48Å; Q217-H282 PolarHBondContact N-O 3.32Å; Q217-H282 PolarHBondContact O-N 2.84Å; Q219-H282 HydrophobicContact CG-CB 4.09Å |
| 283 | Y | 91.1 | Very high | 75.6 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142 | 172.9 | 74.2 | -89.2 | 0 | 0 | 0 | 109.3 | I177 E179 E181 G182 V184 I206 E215 | I177-Y283 HydrophobicContact CG2-CE1 4.07Å; I177-Y283 HydrophobicContact CG2-CE2 4.07Å; I177-Y283 VanDerWaalsContact CG2-CZ 3.49Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.37Å; E179-Y283 WeakPolarHBondContact O-CE2 3.45Å; E181-Y283 WeakPolarHBondContact CA-O 3.46Å; E181-Y283 WeakPolarHBondContact CG-O 3.38Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.43Å; G182-Y283 VanDerWaalsContact N-CZ 3.34Å; G182-Y283 PolarHBondContact N-O 2.92Å; G182-Y283 VanDerWaalsContact O-CD1 3.29Å; G182-Y283 WeakPolarHBondContact O-CD1 3.33Å; G182-Y283 PolarHBondContact O-N 3.09Å; V184-Y283 HydrophobicContact CG2-CD1 3.89Å; V184-Y283 HydrophobicContact CG2-CE1 4.18Å; I206-Y283 HydrophobicContact CD1-CD1 4.11Å; I206-Y283 HydrophobicContact CD1-CD2 4.28Å; I206-Y283 HydrophobicContact CD1-CG 3.83Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 4.04Å; I206-Y283 HydrophobicContact CG2-CG 4.42Å; E215-Y283 CarbonylContact O-C 3.44Å; E215-Y283 WeakPolarHBondContact O-CA 3.33Å |
| 284 | Q | 89.4 | Confident | 76.5 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 114.2 | 177.2 | -156.9 | 172.3 | 43.1 | 0 | 0 | 109 | E181 E215 T287 | E181-Q284 HydrophobicContact CB-CG 4.26Å; E181-Q284 HydrophobicContact CG-CB 4.35Å; E181-Q284 HydrophobicContact CG-CG 3.95Å; E181-Q284 PolarHBondContact OE2-NE2 2.97Å; E215-Q284 PolarHBondContact N-O 3.42Å; E215-Q284 PolarHBondContact O-N 3.01Å; Q284-T287 VanDerWaalsContact CD-CG2 3.43Å; Q284-T287 HydrophobicContact CG-CG2 3.72Å |
| 285 | G | 76.6 | Confident | 77.6 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 175.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G180 T287 | G180-G285 WeakPolarHBondContact O-CA 3.03Å; G180-G285 PolarHBondContact O-N 2.86Å; G285-T287 PolarHBondContact O-N 3.27Å |
| 286 | D | 67.1 | Low | 78.7 | Confident | 65 Ų | 65 | 41.7 Ų | 41.7 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.5 | -5.3 | 169.5 | -52.8 | -22.3 | 0 | 0 | 0 | 116.9 | Y212 | Y212-D286 HydrophobicContact CD1-CB 4.26Å |
| 287 | T | 65.2 | Low | 79.8 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -17.6 | -179.8 | 46.8 | 0 | 0 | 0 | 0 | 115.4 | Q284 G285 | Q284-T287 VanDerWaalsContact CD-CG2 3.43Å; Q284-T287 HydrophobicContact CG-CG2 3.72Å; G285-T287 PolarHBondContact O-N 3.27Å |
| 288 | Y | 75.7 | Confident | 80.5 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.4 | 163.9 | 73.8 | -81.8 | 0 | 0 | 0 | 111.8 | G213 I214 E215 R258 S259 L290 | G213-Y288 VanDerWaalsContact CA-CZ 3.48Å; G213-Y288 PolarHBondContact N-O 3.36Å; I214-Y288 PolarHBondContact N-OH 3.35Å; I214-Y288 VanDerWaalsContact N-OH 3.09Å; I214-Y288 PolarHBondContact O-OH 2.95Å; E215-Y288 HydrophobicContact CB-CD1 4.29Å; E215-Y288 HydrophobicContact CB-CE1 3.94Å; R258-Y288 HydrophobicContact CB-CE1 4.19Å; R258-Y288 HydrophobicContact CB-CE2 4.38Å; R258-Y288 HydrophobicContact CG-CD1 4.48Å; R258-Y288 HydrophobicContact CG-CE1 3.91Å; S259-Y288 PolarHBondContact N-OH 3.05Å; S259-Y288 PolarHBondContact O-OH 3.4Å; S259-Y288 PolarHBondContact OG-OH 2.78Å; Y288-L290 HydrophobicContact CE2-CD2 4.03Å |
| 289 | L | 78.5 | Confident | 80.6 | Confident | 72 Ų | 72 | 48 Ų | 48 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 139.1 | 169.4 | -68.5 | 162.4 | 0 | 0 | 0 | 108.8 | G211 Y212 H309 | G211-L289 CarbonylContact O-C 3.54Å; G211-L289 WeakPolarHBondContact O-CA 3.31Å; Y212-L289 HydrophobicContact CD1-CD2 3.77Å; Y212-L289 HydrophobicContact CD1-CG 4.36Å; Y212-L289 HydrophobicContact CE1-CD2 3.45Å; Y212-L289 VanDerWaalsContact CE1-CD2 3.45Å; Y212-L289 HydrophobicContact CE1-CG 4.12Å; Y212-L289 HydrophobicContact CE2-CD2 4.26Å; Y212-L289 HydrophobicContact CG-CD2 4.34Å; L289-H309 WeakPolarHBondContact CB-CD2 3.27Å; L289-H309 HydrophobicContact CD1-CB 4.28Å |
| 290 | L | 78.8 | Confident | 80.1 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | trans | -73.4 | 145.3 | 163.2 | -65.9 | 166.1 | 0 | 0 | 0 | 108.3 | G211 Y212 N262 Y288 P310 P338 | G211-L290 PolarHBondContact O-N 2.76Å; Y212-L290 WeakPolarHBondContact O-CD1 3.13Å; N262-L290 HydrophobicContact CB-CD1 4.28Å; Y288-L290 HydrophobicContact CE2-CD2 4.03Å; L290-P310 VanDerWaalsContact O-CD 3.27Å; L290-P310 WeakPolarHBondContact O-CD 3.49Å; L290-P338 HydrophobicContact CB-CG 3.51Å | ||
| 291 | S | 82.1 | Confident | 79.5 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | trans | -112 | 150.3 | 176.7 | -37.3 | 0 | 0 | 0 | 0 | 110.5 | L308 H309 | S291-L308 CarbonylContact C-O 3.58Å; S291-L308 VanDerWaalsContact CA-O 3.31Å; S291-L308 WeakPolarHBondContact CA-O 3.41Å; S291-H309 PolarHBondContact OG-CD2 3Å; S291-H309 PolarHBondContact OG-NE2 3.25Å | ||
| 292 | C | 79.9 | Confident | 78.7 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 150.3 | 160.4 | -75.1 | 0 | 0 | 0 | 0 | 110.1 | L308 C332 S339 W340 | C292-L308 PolarHBondContact N-O 3.42Å; C292-C332 HydrophobicContact CB-CB 3.94Å; C292-C332 WeakPolarHBondContact CB-SG 3.41Å; C292-C332 WeakPolarHBondContact SG-CA 3.48Å; C292-C332 WeakPolarHBondContact SG-CB 3.4Å; C292-C332 CovalentContact SG-SG 2.04Å; C292-C332 PolarHBondContact SG-SG 2.89Å; C292-S339 PolarHBondContact SG-N 3.09Å; C292-S339 VanDerWaalsContact SG-N 3.41Å; C292-W340 HydrophobicContact CB-CD2 4.36Å; C292-W340 HydrophobicContact CB-CH2 4.47Å; C292-W340 HydrophobicContact CB-CZ2 3.77Å |
| 293 | G | 79.2 | Confident | 78.4 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 142.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | W340 | G293-W340 PolarHBondContact O-NE1 2.69Š|
| 294 | F | 79.6 | Confident | 77.9 | Confident | 119 Ų | 119 | 51.8 Ų | 51.8 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 125.9 | 176.3 | -168.5 | -82.8 | 0 | 0 | 0 | 109.3 | V303 V305 L308 | F294-V303 HydrophobicContact CE1-CG1 3.93Å; F294-V303 HydrophobicContact CZ-CG1 4.12Å; F294-V305 HydrophobicContact CD2-CG2 4.46Å; F294-V305 HydrophobicContact CE2-CB 4.34Å; F294-V305 HydrophobicContact CE2-CG2 3.8Å; F294-V305 HydrophobicContact CZ-CG2 3.94Å; F294-L308 HydrophobicContact CD2-CD1 4.32Å; F294-L308 HydrophobicContact CD2-CD2 4.32Å |
| 295 | P | 79.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 138.6 | -175.3 | 26.4 | -33.5 | 0 | 0 | 0 | 110.5 | R297 V303 V305 A314 F316 W340 T344 | P295-R297 PolarHBondContact O-N 3.45Å; P295-V303 HydrophobicContact CG-CG1 4.14Å; P295-V303 HydrophobicContact CG-CG2 3.86Å; P295-V305 HydrophobicContact CG-CG2 3.87Å; P295-A314 HydrophobicContact CG-CB 3.89Å; P295-F316 HydrophobicContact CB-CE1 4.33Å; P295-F316 HydrophobicContact CB-CZ 3.86Å; P295-F316 HydrophobicContact CG-CZ 4.35Å; P295-W340 HydrophobicContact CG-CZ2 4.29Å; P295-T344 HydrophobicContact CB-CG2 4.31Å |
| 296 | P | 77.6 | Confident | 77.4 | Confident | 84 Ų | 84 | 56 Ų | 56 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 139.2 | 173.9 | 25.7 | -33.4 | 0 | 0 | 0 | 110.1 | T344 | P296-T344 HydrophobicContact CG-CG2 3.84Š|
| 297 | R | 78.4 | Confident | 77.7 | Confident | 155 Ų | 155 | 56.3 Ų | 56.3 | 59% | 0.585 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 134.3 | 172.7 | -65.1 | -178.4 | -171.2 | -129.9 | 2.7 | 108.7 | P295 D302 V303 | P295-R297 PolarHBondContact O-N 3.45Å; R297-D302 VanDerWaalsContact CD-OD1 3.27Å; R297-D302 WeakPolarHBondContact CD-OD1 3.45Å; R297-D302 IonicContact CZ-OD1 3.89Å; R297-D302 VanDerWaalsContact CZ-OD1 3.25Å; R297-D302 IonicContact NE-OD1 2.7Å; R297-D302 PolarHBondContact NE-OD1 2.85Å; R297-D302 IonicContact NH1-OD1 2.95Å; R297-D302 PolarHBondContact NH1-OD1 2.83Å; R297-D302 IonicContact NH1-OD2 3.76Å; R297-D302 PolarHBondContact NH1-OD2 3.19Å; R297-V303 HydrophobicContact CG-CG1 4.08Å |
| 298 | P | 80.6 | Confident | 78.2 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 151 | 174.6 | 28.8 | -33.7 | 0 | 0 | 0 | 110.1 | H300 G301 F316 | P298-H300 PolarHBondContact O-N 2.83Å; P298-G301 PolarHBondContact O-N 3.24Å; P298-F316 HydrophobicContact CG-CD1 4.25Å |
| 299 | A | 78.1 | Confident | 78.4 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 133.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | C347 | A299-C347 WeakPolarHBondContact O-CB 3.29Š|
| 300 | H | 74.6 | Confident | 78.7 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 43.7 | -175.3 | -42.8 | -72.4 | 0 | 0 | 0 | 113.8 | P298 D319 Y322 E367 | P298-H300 PolarHBondContact O-N 2.83Å; H300-D319 VanDerWaalsContact CA-OD2 3.3Å; H300-D319 WeakPolarHBondContact CA-OD2 3.33Å; H300-D319 WeakPolarHBondContact O-CB 3.02Å; H300-D319 PolarHBondContact O-N 3.5Å; H300-Y322 HydrophobicContact CB-CD1 3.9Å; H300-Y322 HydrophobicContact CB-CD2 3.74Å; H300-Y322 HydrophobicContact CB-CE1 3.74Å; H300-Y322 HydrophobicContact CB-CE2 3.53Å; H300-Y322 HydrophobicContact CB-CG 3.93Å; H300-Y322 AromaticContact CD2-CE1 3.54Å; H300-Y322 AromaticContact CD2-CZ 3.63Å; H300-Y322 PolarHBondContact CE1-OH 3.24Å; H300-Y322 AromaticContact CG-CE1 3.67Å; H300-Y322 AromaticContact CG-CE2 3.82Å; H300-Y322 AromaticContact CG-CZ 3.37Å; H300-Y322 AromaticContact ND1-CZ 3.8Å; H300-Y322 PolarHBondContact ND1-OH 3.05Å; H300-E367 IonicContact CD2-OE1 2.68Å; H300-E367 IonicContact CE1-OE1 3.72Å; H300-E367 PolarHBondContact CE1-OE1 2.98Å; H300-E367 IonicContact NE2-OE1 2.91Å; H300-E367 PolarHBondContact NE2-OE1 2.91Å |
| 301 | G | 76.8 | Confident | 78.8 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -173.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | P298 H317 | P298-G301 PolarHBondContact O-N 3.24Å; G301-H317 CarbonylContact C-O 3.33Å; G301-H317 WeakPolarHBondContact CA-O 3.35Å |
| 302 | D | 73.4 | Confident | 78.9 | Confident | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 171.1 | 178.8 | -155 | 5.2 | 0 | 0 | 0 | 112.7 | R297 H317 | R297-D302 VanDerWaalsContact CD-OD1 3.27Å; R297-D302 WeakPolarHBondContact CD-OD1 3.45Å; R297-D302 IonicContact CZ-OD1 3.89Å; R297-D302 VanDerWaalsContact CZ-OD1 3.25Å; R297-D302 IonicContact NE-OD1 2.7Å; R297-D302 PolarHBondContact NE-OD1 2.85Å; R297-D302 IonicContact NH1-OD1 2.95Å; R297-D302 PolarHBondContact NH1-OD1 2.83Å; R297-D302 IonicContact NH1-OD2 3.76Å; R297-D302 PolarHBondContact NH1-OD2 3.19Å; D302-H317 PolarHBondContact N-O 2.87Å; D302-H317 PolarHBondContact O-N 3.41Å |
| 303 | V | 84.1 | Confident | 79.1 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.4 | -179.7 | 68 | 0 | 0 | 0 | 0 | 112.9 | F294 P295 R297 V305 A314 T315 F316 | F294-V303 HydrophobicContact CE1-CG1 3.93Å; F294-V303 HydrophobicContact CZ-CG1 4.12Å; P295-V303 HydrophobicContact CG-CG1 4.14Å; P295-V303 HydrophobicContact CG-CG2 3.86Å; R297-V303 HydrophobicContact CG-CG1 4.08Å; V303-V305 HydrophobicContact CG1-CG2 4.43Å; V303-V305 HydrophobicContact CG2-CG2 4.15Å; V303-A314 HydrophobicContact CG2-CB 3.98Å; V303-T315 CarbonylContact C-O 3.57Å; V303-T315 WeakPolarHBondContact CA-O 3.46Å; V303-F316 HydrophobicContact CB-CD1 3.93Å; V303-F316 HydrophobicContact CB-CE1 3.9Å; V303-F316 HydrophobicContact CG2-CD1 3.73Å; V303-F316 HydrophobicContact CG2-CD2 4.28Å; V303-F316 HydrophobicContact CG2-CE1 3.51Å; V303-F316 HydrophobicContact CG2-CE2 4.05Å; V303-F316 HydrophobicContact CG2-CG 4.12Å; V303-F316 HydrophobicContact CG2-CZ 3.67Å |
| 304 | S | 80 | Confident | 79.2 | Confident | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 103.4 | 172.8 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | T315 H317 | S304-T315 PolarHBondContact N-O 2.04Å; S304-T315 PolarHBondContact O-N 3.19Å; S304-T315 PolarHBondContact O-OG1 2.83Å; S304-H317 PolarHBondContact OG-CD2 2.86Å; S304-H317 VanDerWaalsContact OG-CD2 3.3Å; S304-H317 PolarHBondContact OG-NE2 3.2Å |
| 305 | V | 79.2 | Confident | 79.5 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.4 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | F294 P295 V303 L308 A314 | F294-V305 HydrophobicContact CD2-CG2 4.46Å; F294-V305 HydrophobicContact CE2-CB 4.34Å; F294-V305 HydrophobicContact CE2-CG2 3.8Å; F294-V305 HydrophobicContact CZ-CG2 3.94Å; P295-V305 HydrophobicContact CG-CG2 3.87Å; V303-V305 HydrophobicContact CG1-CG2 4.43Å; V303-V305 HydrophobicContact CG2-CG2 4.15Å; V305-L308 HydrophobicContact CG1-CD2 3.72Å; V305-L308 HydrophobicContact CG1-CG 4.09Å; V305-A314 HydrophobicContact CG2-CB 4.11Å |
| 306 | T | 77.1 | Confident | 79.8 | Confident | 103 Ų | 103 | 48.9 Ų | 48.9 | 63% | 0.632 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -88.9 | -47 | 176.8 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | T313 | T306-T313 WeakPolarHBondContact CG2-OG1 3.21Å; T306-T313 PolarHBondContact N-O 3.39Å; T306-T313 PolarHBondContact OG1-N 2.91Å; T306-T313 VanDerWaalsContact OG1-N 3.09Å; T306-T313 PolarHBondContact OG1-O 2.89Å; T306-T313 VanDerWaalsContact OG1-O 3.06Å; T306-T313 PolarHBondContact OG1-OG1 3.27Å |
| 307 | D | 72.8 | Confident | 80 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | trans | -154.1 | 153 | 173.6 | -166.9 | -1.1 | 0 | 0 | 0 | 109 | H309 G312 | D307-H309 IonicContact OD1-CE1 2.81Å; D307-H309 IonicContact OD1-CG 3.15Å; D307-H309 PolarHBondContact OD1-N 3.08Å; D307-H309 VanDerWaalsContact OD1-N 3.14Å; D307-H309 IonicContact OD1-ND1 3.27Å; D307-H309 PolarHBondContact OD1-ND1 2.83Å; D307-H309 IonicContact OD2-CG 2.75Å; D307-H309 IonicContact OD2-ND1 2.71Å; D307-H309 PolarHBondContact OD2-ND1 2.88Å; D307-G312 WeakPolarHBondContact O-CA 3.44Å | ||
| 308 | L | 76.9 | Confident | 80.2 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -99.5 | -8.9 | 175.1 | -65.3 | 172.5 | 0 | 0 | 0 | 112.8 | S291 C292 F294 V305 C332 W340 | S291-L308 CarbonylContact C-O 3.58Å; S291-L308 VanDerWaalsContact CA-O 3.31Å; S291-L308 WeakPolarHBondContact CA-O 3.41Å; C292-L308 PolarHBondContact N-O 3.42Å; F294-L308 HydrophobicContact CD2-CD1 4.32Å; F294-L308 HydrophobicContact CD2-CD2 4.32Å; V305-L308 HydrophobicContact CG1-CD2 3.72Å; V305-L308 HydrophobicContact CG1-CG 4.09Å; L308-C332 PolarHBondContact O-SG 3.37Å; L308-W340 HydrophobicContact CD2-CH2 4.36Å; L308-W340 HydrophobicContact CD2-CZ2 3.84Å |
| 309 | H | 80.6 | Confident | 80.1 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -74.9 | 162.4 | 175.2 | -56.7 | 104.5 | 0 | 0 | 0 | 112.1 | L289 S291 D307 G311 G312 C332 | L289-H309 WeakPolarHBondContact CB-CD2 3.27Å; L289-H309 HydrophobicContact CD1-CB 4.28Å; S291-H309 PolarHBondContact OG-CD2 3Å; S291-H309 PolarHBondContact OG-NE2 3.25Å; D307-H309 IonicContact OD1-CE1 2.81Å; D307-H309 IonicContact OD1-CG 3.15Å; D307-H309 PolarHBondContact OD1-N 3.08Å; D307-H309 VanDerWaalsContact OD1-N 3.14Å; D307-H309 IonicContact OD1-ND1 3.27Å; D307-H309 PolarHBondContact OD1-ND1 2.83Å; D307-H309 IonicContact OD2-CG 2.75Å; D307-H309 IonicContact OD2-ND1 2.71Å; D307-H309 PolarHBondContact OD2-ND1 2.88Å; H309-G311 PolarHBondContact O-N 2.88Å; H309-G312 WeakPolarHBondContact O-CA 3.39Å; H309-G312 PolarHBondContact O-N 3.19Å; H309-C332 WeakPolarHBondContact O-CB 3.46Å |
| 310 | P | 82.9 | Confident | 80.1 | Confident | 42 Ų | 42 | 46 Ų | 46 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 127.8 | 178.5 | -28.1 | 35.4 | 0 | 0 | 0 | 113 | L290 C332 N334 P338 | L290-P310 VanDerWaalsContact O-CD 3.27Å; L290-P310 WeakPolarHBondContact O-CD 3.49Å; P310-C332 CarbonylContact C-O 3.56Å; P310-C332 WeakPolarHBondContact CA-O 3.13Å; P310-N334 HydrophobicContact CB-CB 3.96Å; P310-N334 HydrophobicContact CG-CB 4.46Å; P310-P338 HydrophobicContact CG-CB 4.36Å; P310-P338 HydrophobicContact CG-CG 4.11Å |
| 311 | G | 82.3 | Confident | 80 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -13.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H309 C332 | H309-G311 PolarHBondContact O-N 2.88Å; G311-C332 PolarHBondContact N-O 2.82Å |
| 312 | G | 82.9 | Confident | 80.2 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | trans | -68.2 | 156.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D307 H309 C332 | D307-G312 WeakPolarHBondContact O-CA 3.44Å; H309-G312 WeakPolarHBondContact O-CA 3.39Å; H309-G312 PolarHBondContact O-N 3.19Å; G312-C332 PolarHBondContact O-N 3.22Å | ||
| 313 | T | 85 | Confident | 80.6 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.3 | -173.9 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | T306 T329 L330 I331 | T306-T313 WeakPolarHBondContact CG2-OG1 3.21Å; T306-T313 PolarHBondContact N-O 3.39Å; T306-T313 PolarHBondContact OG1-N 2.91Å; T306-T313 VanDerWaalsContact OG1-N 3.09Å; T306-T313 PolarHBondContact OG1-O 2.89Å; T306-T313 VanDerWaalsContact OG1-O 3.06Å; T306-T313 PolarHBondContact OG1-OG1 3.27Å; T313-T329 HydrophobicContact CG2-CG2 4.29Å; T313-L330 CarbonylContact C-O 3.46Å; T313-L330 WeakPolarHBondContact CA-O 3.28Å; T313-I331 HydrophobicContact CG2-CG1 4.34Å |
| 314 | A | 81.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P295 V303 V305 F316 T329 L330 W340 | P295-A314 HydrophobicContact CG-CB 3.89Å; V303-A314 HydrophobicContact CG2-CB 3.98Å; V305-A314 HydrophobicContact CG2-CB 4.11Å; A314-F316 HydrophobicContact CB-CE2 4.08Å; A314-F316 HydrophobicContact CB-CZ 4.39Å; A314-F316 WeakPolarHBondContact O-CE2 3.47Å; A314-T329 CarbonylContact O-C 3.54Å; A314-T329 WeakPolarHBondContact O-CA 3.17Å; A314-L330 PolarHBondContact N-O 2.91Å; A314-L330 PolarHBondContact O-N 2.79Å; A314-W340 HydrophobicContact CB-CE3 4.33Å; A314-W340 HydrophobicContact CB-CH2 3.71Å; A314-W340 HydrophobicContact CB-CZ2 4.22Å; A314-W340 HydrophobicContact CB-CZ3 3.76Å |
| 315 | T | 85.8 | Confident | 81 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.2 | -175.9 | -21.6 | 0 | 0 | 0 | 0 | 109.1 | V303 S304 E328 | V303-T315 CarbonylContact C-O 3.57Å; V303-T315 WeakPolarHBondContact CA-O 3.46Å; S304-T315 PolarHBondContact N-O 2.04Å; S304-T315 PolarHBondContact O-N 3.19Å; S304-T315 PolarHBondContact O-OG1 2.83Å; T315-E328 WeakPolarHBondContact CA-O 3.28Å |
| 316 | F | 86.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140 | -174.9 | -65.7 | -95.6 | 0 | 0 | 0 | 111.3 | P295 P298 V303 A314 L324 E328 L330 T344 P345 | P295-F316 HydrophobicContact CB-CE1 4.33Å; P295-F316 HydrophobicContact CB-CZ 3.86Å; P295-F316 HydrophobicContact CG-CZ 4.35Å; P298-F316 HydrophobicContact CG-CD1 4.25Å; V303-F316 HydrophobicContact CB-CD1 3.93Å; V303-F316 HydrophobicContact CB-CE1 3.9Å; V303-F316 HydrophobicContact CG2-CD1 3.73Å; V303-F316 HydrophobicContact CG2-CD2 4.28Å; V303-F316 HydrophobicContact CG2-CE1 3.51Å; V303-F316 HydrophobicContact CG2-CE2 4.05Å; V303-F316 HydrophobicContact CG2-CG 4.12Å; V303-F316 HydrophobicContact CG2-CZ 3.67Å; A314-F316 HydrophobicContact CB-CE2 4.08Å; A314-F316 HydrophobicContact CB-CZ 4.39Å; A314-F316 WeakPolarHBondContact O-CE2 3.47Å; F316-L324 HydrophobicContact CB-CD1 4.1Å; F316-L324 HydrophobicContact CB-CD2 4.12Å; F316-E328 PolarHBondContact N-O 3.02Å; F316-L330 HydrophobicContact CE2-CB 4.15Å; F316-L330 HydrophobicContact CE2-CD1 3.72Å; F316-L330 HydrophobicContact CE2-CG 3.74Å; F316-L330 HydrophobicContact CZ-CD1 3.96Å; F316-L330 HydrophobicContact CZ-CG 4.48Å; F316-T344 HydrophobicContact CE1-CG2 4.01Å; F316-T344 HydrophobicContact CZ-CG2 3.85Å; F316-P345 HydrophobicContact CB-CG 3.58Å; F316-P345 HydrophobicContact CD1-CG 3.82Å; F316-P345 HydrophobicContact CD2-CG 3.76Å; F316-P345 HydrophobicContact CE1-CG 4.45Å; F316-P345 HydrophobicContact CE2-CG 4.42Å; F316-P345 HydrophobicContact CG-CG 3.42Å; F316-P345 VanDerWaalsContact CG-CG 3.42Å |
| 317 | H | 81.8 | Confident | 81.9 | Confident | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.1 | -177.4 | -50.7 | -43.3 | 0 | 0 | 0 | 109.5 | G301 D302 S304 | G301-H317 CarbonylContact C-O 3.33Å; G301-H317 WeakPolarHBondContact CA-O 3.35Å; D302-H317 PolarHBondContact N-O 2.87Å; D302-H317 PolarHBondContact O-N 3.41Å; S304-H317 PolarHBondContact OG-CD2 2.86Å; S304-H317 VanDerWaalsContact OG-CD2 3.3Å; S304-H317 PolarHBondContact OG-NE2 3.2Å |
| 318 | C | 81.1 | Confident | 82.6 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 25% | 0.25 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 151.9 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | L324 C347 | C318-L324 VanDerWaalsContact SG-CA 3.56Å; C318-L324 WeakPolarHBondContact SG-CD1 3.34Å; C318-C347 WeakPolarHBondContact CA-SG 3.19Å; C318-C347 HydrophobicContact CB-CB 3.78Å; C318-C347 WeakPolarHBondContact CB-SG 3.44Å; C318-C347 VanDerWaalsContact SG-CA 3.56Å; C318-C347 WeakPolarHBondContact SG-CB 3.05Å; C318-C347 CovalentContact SG-SG 2.04Å; C318-C347 PolarHBondContact SG-SG 3.43Å |
| 319 | D | 78.5 | Confident | 83.2 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | trans | -63.8 | 155.4 | 171.9 | -75.2 | -38.6 | 0 | 0 | 0 | 111.5 | H300 G321 Y322 | H300-D319 VanDerWaalsContact CA-OD2 3.3Å; H300-D319 WeakPolarHBondContact CA-OD2 3.33Å; H300-D319 WeakPolarHBondContact O-CB 3.02Å; H300-D319 PolarHBondContact O-N 3.5Å; D319-G321 PolarHBondContact O-N 3.47Å; D319-G321 VanDerWaalsContact O-N 3.16Å; D319-Y322 HydrophobicContact CB-CD2 4.03Å; D319-Y322 PolarHBondContact O-N 2.8Å | ||
| 320 | S | 77.9 | Confident | 83.5 | Confident | 63 Ų | 63 | 53 Ų | 53 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 121.6 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | R362 | S320-R362 WeakPolarHBondContact O-CB 3.33Å; S320-R362 WeakPolarHBondContact O-CD 3.45Å; S320-R362 WeakPolarHBondContact OG-CB 3.3Å; S320-R362 PolarHBondContact OG-NE 3.38Å |
| 321 | G | 72.6 | Confident | 83.9 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -8.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | D319 S350 R362 V364 | D319-G321 PolarHBondContact O-N 3.47Å; D319-G321 VanDerWaalsContact O-N 3.16Å; G321-S350 PolarHBondContact O-N 3.43Å; G321-S350 PolarHBondContact O-OG 2.9Å; G321-R362 WeakPolarHBondContact CA-O 3.43Å; G321-V364 VanDerWaalsContact O-CG2 3.24Å; G321-V364 WeakPolarHBondContact O-CG2 3.06Å |
| 322 | Y | 81 | Confident | 84.1 | Confident | 35 Ų | 35 | 52 Ų | 52 | 14% | 0.137 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 153.3 | 168.6 | -63.6 | -95.6 | 0 | 0 | 0 | 110.7 | H300 D319 M348 A349 V364 | H300-Y322 HydrophobicContact CB-CD1 3.9Å; H300-Y322 HydrophobicContact CB-CD2 3.74Å; H300-Y322 HydrophobicContact CB-CE1 3.74Å; H300-Y322 HydrophobicContact CB-CE2 3.53Å; H300-Y322 HydrophobicContact CB-CG 3.93Å; H300-Y322 AromaticContact CD2-CE1 3.54Å; H300-Y322 AromaticContact CD2-CZ 3.63Å; H300-Y322 PolarHBondContact CE1-OH 3.24Å; H300-Y322 AromaticContact CG-CE1 3.67Å; H300-Y322 AromaticContact CG-CE2 3.82Å; H300-Y322 AromaticContact CG-CZ 3.37Å; H300-Y322 AromaticContact ND1-CZ 3.8Å; H300-Y322 PolarHBondContact ND1-OH 3.05Å; D319-Y322 HydrophobicContact CB-CD2 4.03Å; D319-Y322 PolarHBondContact O-N 2.8Å; Y322-M348 CarbonylContact C-O 3.47Å; Y322-M348 WeakPolarHBondContact CA-O 3.5Å; Y322-A349 HydrophobicContact CD1-CB 4.05Å; Y322-A349 HydrophobicContact CE1-CB 3.89Å; Y322-V364 HydrophobicContact CD2-CG2 4.03Å; Y322-V364 HydrophobicContact CE1-CG2 4.27Å; Y322-V364 HydrophobicContact CE2-CB 4.4Å; Y322-V364 HydrophobicContact CE2-CG1 4.14Å; Y322-V364 HydrophobicContact CE2-CG2 3.81Å; Y322-V364 HydrophobicContact CG-CG2 4.37Å |
| 323 | Q | 82.9 | Confident | 84.4 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.3 | 176.2 | -66.5 | -176.9 | 1.6 | 0 | 0 | 109.8 | M348 | Q323-M348 PolarHBondContact N-O 3.34Å; Q323-M348 PolarHBondContact O-N 3.01Å |
| 324 | L | 85.6 | Confident | 84.4 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.8 | -176.7 | -163.1 | 73 | 0 | 0 | 0 | 111.1 | F316 C318 E328 P345 | F316-L324 HydrophobicContact CB-CD1 4.1Å; F316-L324 HydrophobicContact CB-CD2 4.12Å; C318-L324 VanDerWaalsContact SG-CA 3.56Å; C318-L324 WeakPolarHBondContact SG-CD1 3.34Å; L324-E328 HydrophobicContact CD2-CB 3.95Å; L324-E328 HydrophobicContact CD2-CG 4.04Å; L324-P345 HydrophobicContact CD1-CB 3.74Å; L324-P345 HydrophobicContact CD1-CG 3.8Å; L324-P345 HydrophobicContact CD2-CB 4.28Å; L324-P345 HydrophobicContact CD2-CG 4.23Å; L324-P345 HydrophobicContact CG-CB 3.89Å; L324-P345 HydrophobicContact CG-CG 4.24Å |
| 325 | Q | 87.6 | Confident | 84.4 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.1 | 173.4 | -179.8 | -173.1 | 52.6 | 0 | 0 | 109.2 | P345 S346 M348 | Q325-P345 WeakPolarHBondContact O-CA 3.35Å; Q325-P345 WeakPolarHBondContact O-CB 3.48Å; Q325-S346 PolarHBondContact N-O 2.86Å; Q325-S346 PolarHBondContact O-N 2.67Å; Q325-S346 PolarHBondContact OE1-OG 2.94Å; Q325-M348 HydrophobicContact CB-CE 4.16Å; Q325-M348 HydrophobicContact CB-CG 4.47Å; Q325-M348 VanDerWaalsContact CD-CE 3.5Å; Q325-M348 HydrophobicContact CG-CE 4.26Å; Q325-M348 PolarHBondContact OE1-SD 3.09Å; Q325-M348 VanDerWaalsContact OE1-SD 3.37Å |
| 326 | G | 86 | Confident | 84.1 | Confident | 64 Ų | 64 | 61 Ų | 61 | 66% | 0.66 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 135.9 | -155.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 327 | E | 88.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | trans | -88.6 | 127.4 | 175 | -166.9 | 171.9 | -151 | 0 | 0 | 110.2 | T329 L330 N341 P345 | E327-T329 VanDerWaalsContact C-N 3.28Å; E327-T329 WeakPolarHBondContact CG-O 3.47Å; E327-T329 PolarHBondContact O-N 2.91Å; E327-L330 HydrophobicContact CB-CD2 4.13Å; E327-L330 HydrophobicContact CG-CD2 4.49Å; E327-L330 WeakPolarHBondContact OE2-CD2 3.36Å; E327-N341 PolarHBondContact OE2-ND2 3.16Å; E327-P345 WeakPolarHBondContact O-CG 3.49Å | ||
| 328 | E | 86.6 | Confident | 83.8 | Confident | 123 Ų | 123 | 63.6 Ų | 63.6 | 58% | 0.575 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -68.5 | -26.2 | -176.9 | -174.5 | 178.5 | 179.3 | 0 | 0 | 113.2 | T315 F316 L324 | T315-E328 WeakPolarHBondContact CA-O 3.28Å; F316-E328 PolarHBondContact N-O 3.02Å; L324-E328 HydrophobicContact CD2-CB 3.95Å; L324-E328 HydrophobicContact CD2-CG 4.04Å |
| 329 | T | 90 | Very high | 84.1 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 31% | 0.307 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 117.7 | -179.3 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | T313 A314 E327 | T313-T329 HydrophobicContact CG2-CG2 4.29Å; A314-T329 CarbonylContact O-C 3.54Å; A314-T329 WeakPolarHBondContact O-CA 3.17Å; E327-T329 VanDerWaalsContact C-N 3.28Å; E327-T329 WeakPolarHBondContact CG-O 3.47Å; E327-T329 PolarHBondContact O-N 2.91Å |
| 330 | L | 87.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 148.9 | 169.8 | -61.1 | -179.8 | 0 | 0 | 0 | 110.6 | T313 A314 F316 E327 W340 N341 T344 | T313-L330 CarbonylContact C-O 3.46Å; T313-L330 WeakPolarHBondContact CA-O 3.28Å; A314-L330 PolarHBondContact N-O 2.91Å; A314-L330 PolarHBondContact O-N 2.79Å; F316-L330 HydrophobicContact CE2-CB 4.15Å; F316-L330 HydrophobicContact CE2-CD1 3.72Å; F316-L330 HydrophobicContact CE2-CG 3.74Å; F316-L330 HydrophobicContact CZ-CD1 3.96Å; F316-L330 HydrophobicContact CZ-CG 4.48Å; E327-L330 HydrophobicContact CB-CD2 4.13Å; E327-L330 HydrophobicContact CG-CD2 4.49Å; E327-L330 WeakPolarHBondContact OE2-CD2 3.36Å; L330-W340 HydrophobicContact CB-CB 4.32Å; L330-W340 HydrophobicContact CB-CD2 4.31Å; L330-W340 HydrophobicContact CB-CE3 3.76Å; L330-W340 HydrophobicContact CD1-CB 4.16Å; L330-W340 HydrophobicContact CD1-CG 4.5Å; L330-N341 VanDerWaalsContact CA-OD1 3.26Å; L330-N341 WeakPolarHBondContact CA-OD1 3.1Å; L330-N341 WeakPolarHBondContact CB-OD1 3.38Å; L330-N341 WeakPolarHBondContact CD2-OD1 3.46Å; L330-T344 HydrophobicContact CD1-CG2 4.28Å |
| 331 | I | 90.4 | Very high | 85.2 | Confident | 75 Ų | 75 | 62.6 Ų | 62.6 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.2 | -179.4 | -51.1 | -179.9 | 0 | 0 | 0 | 109 | T313 L333 W340 N341 | T313-I331 HydrophobicContact CG2-CG1 4.34Å; I331-L333 PolarHBondContact O-N 2.98Å; I331-W340 VanDerWaalsContact C-CE3 3.46Å; I331-N341 PolarHBondContact N-OD1 3.47Å; I331-N341 PolarHBondContact O-N 3.42Å; I331-N341 VanDerWaalsContact O-N 3.1Å; I331-N341 PolarHBondContact O-OD1 3.35Å |
| 332 | C | 87.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 113.4 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | C292 L308 H309 P310 G311 G312 W340 | C292-C332 HydrophobicContact CB-CB 3.94Å; C292-C332 WeakPolarHBondContact CB-SG 3.41Å; C292-C332 WeakPolarHBondContact SG-CA 3.48Å; C292-C332 WeakPolarHBondContact SG-CB 3.4Å; C292-C332 CovalentContact SG-SG 2.04Å; C292-C332 PolarHBondContact SG-SG 2.89Å; L308-C332 PolarHBondContact O-SG 3.37Å; H309-C332 WeakPolarHBondContact O-CB 3.46Å; P310-C332 CarbonylContact C-O 3.56Å; P310-C332 WeakPolarHBondContact CA-O 3.13Å; G311-C332 PolarHBondContact N-O 2.82Å; G312-C332 PolarHBondContact O-N 3.22Å; C332-W340 HydrophobicContact CB-CE3 4.18Å; C332-W340 HydrophobicContact CB-CH2 4.11Å; C332-W340 HydrophobicContact CB-CZ3 3.85Å |
| 333 | L | 88.7 | Confident | 86.2 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 41% | 0.408 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 146.8 | -178.9 | -60.4 | -176.5 | 0 | 0 | 0 | 111.8 | I331 P338 S339 N341 | I331-L333 PolarHBondContact O-N 2.98Å; L333-P338 WeakPolarHBondContact O-CA 3.2Å; L333-S339 WeakPolarHBondContact CB-O 3.46Å; L333-S339 PolarHBondContact N-O 3.18Å; L333-N341 HydrophobicContact CD1-CB 3.91Å; L333-N341 HydrophobicContact CD2-CB 4.05Å; L333-N341 HydrophobicContact CG-CB 3.92Å |
| 334 | N | 85.5 | Confident | 86.2 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | trans | -74.1 | 143.7 | 169.2 | 65.7 | -16.4 | 0 | 0 | 0 | 110.7 | P310 | P310-N334 HydrophobicContact CB-CB 3.96Å; P310-N334 HydrophobicContact CG-CB 4.46Å | ||
| 335 | G | 80.1 | Confident | 86.2 | Confident | 20 Ų | 20 | 65 Ų | 65 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -176.4 | -175.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | G211 R337 | G211-G335 PolarHBondContact N-O 2.92Å; G335-R337 VanDerWaalsContact C-N 3.28Å |
| 336 | T | 78.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 31% | 0.307 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -69.4 | -32.8 | 173.7 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | G235 T261 N262 | G235-T336 VanDerWaalsContact O-CB 3.29Å; G235-T336 WeakPolarHBondContact O-CB 3.41Å; G235-T336 PolarHBondContact O-OG1 2.9Å; T261-T336 CarbonylContact C-O 3.54Å; T261-T336 WeakPolarHBondContact CA-O 3.4Å; T261-T336 VanDerWaalsContact CB-O 3.24Å; T261-T336 WeakPolarHBondContact CB-O 3.26Å; N262-T336 PolarHBondContact N-O 3.24Å; N262-T336 WeakPolarHBondContact OD1-CA 3.34Å; N262-T336 VanDerWaalsContact OD1-CB 3.3Å; N262-T336 WeakPolarHBondContact OD1-CB 3.29Å; N262-T336 WeakPolarHBondContact OD1-CG2 3.36Å |
| 337 | R | 81.6 | Confident | 86.1 | Confident | 125 Ų | 125 | 60 Ų | 60 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -129.1 | 123.4 | 159.5 | 175.8 | 174.1 | -67.7 | -112.7 | -10 | 106.1 | P260 T261 G335 | P260-R337 PolarHBondContact O-NH2 2.89Å; T261-R337 HydrophobicContact CG2-CB 4.25Å; G335-R337 VanDerWaalsContact C-N 3.28Å |
| 338 | P | 82.1 | Confident | 85.7 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | trans | -60 | 141.1 | 174.5 | -24.7 | 35.2 | 0 | 0 | 0 | 111.6 | L290 P310 L333 | L290-P338 HydrophobicContact CB-CG 3.51Å; P310-P338 HydrophobicContact CG-CB 4.36Å; P310-P338 HydrophobicContact CG-CG 4.11Å; L333-P338 WeakPolarHBondContact O-CA 3.2Å | ||
| 339 | S | 86.4 | Confident | 85.4 | Confident | 69 Ų | 69 | 54 Ų | 54 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154.8 | 176.8 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | C292 L333 | C292-S339 PolarHBondContact SG-N 3.09Å; C292-S339 VanDerWaalsContact SG-N 3.41Å; L333-S339 WeakPolarHBondContact CB-O 3.46Å; L333-S339 PolarHBondContact N-O 3.18Å |
| 340 | W | 88.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 15% | 0.148 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 152.5 | 169.2 | -59.3 | 106.2 | 0 | 0 | 0 | 110.7 | C292 G293 P295 L308 A314 L330 I331 C332 G342 | C292-W340 HydrophobicContact CB-CD2 4.36Å; C292-W340 HydrophobicContact CB-CH2 4.47Å; C292-W340 HydrophobicContact CB-CZ2 3.77Å; G293-W340 PolarHBondContact O-NE1 2.69Å; P295-W340 HydrophobicContact CG-CZ2 4.29Å; L308-W340 HydrophobicContact CD2-CH2 4.36Å; L308-W340 HydrophobicContact CD2-CZ2 3.84Å; A314-W340 HydrophobicContact CB-CE3 4.33Å; A314-W340 HydrophobicContact CB-CH2 3.71Å; A314-W340 HydrophobicContact CB-CZ2 4.22Å; A314-W340 HydrophobicContact CB-CZ3 3.76Å; L330-W340 HydrophobicContact CB-CB 4.32Å; L330-W340 HydrophobicContact CB-CD2 4.31Å; L330-W340 HydrophobicContact CB-CE3 3.76Å; L330-W340 HydrophobicContact CD1-CB 4.16Å; L330-W340 HydrophobicContact CD1-CG 4.5Å; I331-W340 VanDerWaalsContact C-CE3 3.46Å; C332-W340 HydrophobicContact CB-CE3 4.18Å; C332-W340 HydrophobicContact CB-CH2 4.11Å; C332-W340 HydrophobicContact CB-CZ3 3.85Å; W340-G342 VanDerWaalsContact C-N 3.27Å; W340-G342 PolarHBondContact O-N 2.73Å |
| 341 | N | 91.8 | Very high | 84.3 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 32% | 0.316 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -72.5 | -16.9 | -178.2 | 67.9 | -60.9 | 0 | 0 | 0 | 114.3 | E327 L330 I331 L333 | E327-N341 PolarHBondContact OE2-ND2 3.16Å; L330-N341 VanDerWaalsContact CA-OD1 3.26Å; L330-N341 WeakPolarHBondContact CA-OD1 3.1Å; L330-N341 WeakPolarHBondContact CB-OD1 3.38Å; L330-N341 WeakPolarHBondContact CD2-OD1 3.46Å; I331-N341 PolarHBondContact N-OD1 3.47Å; I331-N341 PolarHBondContact O-N 3.42Å; I331-N341 VanDerWaalsContact O-N 3.1Å; I331-N341 PolarHBondContact O-OD1 3.35Å; L333-N341 HydrophobicContact CD1-CB 3.91Å; L333-N341 HydrophobicContact CD2-CB 4.05Å; L333-N341 HydrophobicContact CG-CB 3.92Å |
| 342 | G | 87 | Confident | 83.9 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -150.9 | -178.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W340 | W340-G342 VanDerWaalsContact C-N 3.27Å; W340-G342 PolarHBondContact O-N 2.73Å |
| 343 | E | 86.6 | Confident | 83.8 | Confident | 182 Ų | 182 | 54.5 Ų | 54.5 | 85% | 0.85 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 152.6 | 174.3 | -61.7 | -178.2 | 164.3 | 0 | 0 | 110.5 | ||
| 344 | T | 82.4 | Confident | 83.9 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 131.5 | 179.4 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | P295 P296 F316 L330 | P295-T344 HydrophobicContact CB-CG2 4.31Å; P296-T344 HydrophobicContact CG-CG2 3.84Å; F316-T344 HydrophobicContact CE1-CG2 4.01Å; F316-T344 HydrophobicContact CZ-CG2 3.85Å; L330-T344 HydrophobicContact CD1-CG2 4.28Å |
| 345 | P | 87.6 | Confident | 84 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 156.5 | -179.5 | 30.7 | -38.5 | 0 | 0 | 0 | 112.3 | F316 L324 Q325 E327 | F316-P345 HydrophobicContact CB-CG 3.58Å; F316-P345 HydrophobicContact CD1-CG 3.82Å; F316-P345 HydrophobicContact CD2-CG 3.76Å; F316-P345 HydrophobicContact CE1-CG 4.45Å; F316-P345 HydrophobicContact CE2-CG 4.42Å; F316-P345 HydrophobicContact CG-CG 3.42Å; F316-P345 VanDerWaalsContact CG-CG 3.42Å; L324-P345 HydrophobicContact CD1-CB 3.74Å; L324-P345 HydrophobicContact CD1-CG 3.8Å; L324-P345 HydrophobicContact CD2-CB 4.28Å; L324-P345 HydrophobicContact CD2-CG 4.23Å; L324-P345 HydrophobicContact CG-CB 3.89Å; L324-P345 HydrophobicContact CG-CG 4.24Å; Q325-P345 WeakPolarHBondContact O-CA 3.35Å; Q325-P345 WeakPolarHBondContact O-CB 3.48Å; E327-P345 WeakPolarHBondContact O-CG 3.49Å |
| 346 | S | 84.9 | Confident | 84.5 | Confident | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 150.1 | 174.5 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | Q325 | Q325-S346 PolarHBondContact N-O 2.86Å; Q325-S346 PolarHBondContact O-N 2.67Å; Q325-S346 PolarHBondContact OE1-OG 2.94Å |
| 347 | C | 84.7 | Confident | 84.9 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112.1 | 170.7 | -70.5 | 0 | 0 | 0 | 0 | 109.1 | A299 C318 | A299-C347 WeakPolarHBondContact O-CB 3.29Å; C318-C347 WeakPolarHBondContact CA-SG 3.19Å; C318-C347 HydrophobicContact CB-CB 3.78Å; C318-C347 WeakPolarHBondContact CB-SG 3.44Å; C318-C347 VanDerWaalsContact SG-CA 3.56Å; C318-C347 WeakPolarHBondContact SG-CB 3.05Å; C318-C347 CovalentContact SG-SG 2.04Å; C318-C347 PolarHBondContact SG-SG 3.43Å |
| 348 | M | 81.4 | Confident | 84.9 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.6 | -179.4 | -65.8 | -157.9 | -56.1 | 0 | 0 | 111.6 | Y322 Q323 Q325 S350 | Y322-M348 CarbonylContact C-O 3.47Å; Y322-M348 WeakPolarHBondContact CA-O 3.5Å; Q323-M348 PolarHBondContact N-O 3.34Å; Q323-M348 PolarHBondContact O-N 3.01Å; Q325-M348 HydrophobicContact CB-CE 4.16Å; Q325-M348 HydrophobicContact CB-CG 4.47Å; Q325-M348 VanDerWaalsContact CD-CE 3.5Å; Q325-M348 HydrophobicContact CG-CE 4.26Å; Q325-M348 PolarHBondContact OE1-SD 3.09Å; Q325-M348 VanDerWaalsContact OE1-SD 3.37Å; M348-S350 PolarHBondContact O-N 2.96Å |
| 349 | A | 80.1 | Confident | 84.9 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 128.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y322 C351 V364 S365 P366 | Y322-A349 HydrophobicContact CD1-CB 4.05Å; Y322-A349 HydrophobicContact CE1-CB 3.89Å; A349-C351 PolarHBondContact O-N 3.31Å; A349-V364 HydrophobicContact CB-CB 4.25Å; A349-V364 HydrophobicContact CB-CG2 3.7Å; A349-S365 WeakPolarHBondContact CB-O 3.36Å; A349-P366 HydrophobicContact CB-CG 4.27Å |
| 350 | S | 75.6 | Confident | 84.8 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | trans | -76.6 | 95.9 | 178 | 57.6 | 0 | 0 | 0 | 0 | 111 | G321 M348 G352 W380 | G321-S350 PolarHBondContact O-N 3.43Å; G321-S350 PolarHBondContact O-OG 2.9Å; M348-S350 PolarHBondContact O-N 2.96Å; S350-G352 PolarHBondContact O-N 2.83Å; S350-W380 PolarHBondContact O-NE1 3.06Å | ||
| 351 | C | 78.8 | Confident | 84.4 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | trans | -69.1 | 87.6 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | A349 P366 C378 | A349-C351 PolarHBondContact O-N 3.31Å; C351-P366 HydrophobicContact CB-CG 3.74Å; C351-C378 VanDerWaalsContact CA-SG 3.57Å; C351-C378 HydrophobicContact CB-CB 4.07Å; C351-C378 WeakPolarHBondContact CB-SG 3.45Å; C351-C378 WeakPolarHBondContact SG-CA 3.17Å; C351-C378 WeakPolarHBondContact SG-CB 3.03Å; C351-C378 CovalentContact SG-SG 2.04Å; C351-C378 PolarHBondContact SG-SG 3.35Å | ||
| 352 | G | 81.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 85.8 | 178.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S350 R379 W380 | S350-G352 PolarHBondContact O-N 2.83Å; G352-R379 CarbonylContact C-O 3.52Å; G352-R379 WeakPolarHBondContact CA-O 3.37Å; G352-W380 VanDerWaalsContact N-NE1 3.11Å |
| 353 | G | 86.3 | Confident | 84 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.5 | -178.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R379 W380 V381 | G353-R379 PolarHBondContact N-O 2.88Å; G353-W380 WeakPolarHBondContact O-CA 3.45Å; G353-V381 PolarHBondContact O-N 3.09Å |
| 354 | T | 89.6 | Confident | 83.9 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 45% | 0.454 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.6 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | H356 V381 | T354-H356 WeakPolarHBondContact CG2-CE1 3.37Å; T354-V381 CarbonylContact C-O 3.58Å; T354-V381 VanDerWaalsContact CA-O 3.32Å; T354-V381 WeakPolarHBondContact CA-O 3.47Å; T354-V381 HydrophobicContact CG2-CB 4.01Å; T354-V381 HydrophobicContact CG2-CG1 4.17Å |
| 355 | I | 88.6 | Confident | 83.8 | Confident | 51 Ų | 51 | 45 Ų | 45 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 94.6 | 179.8 | -53.7 | 179.8 | 0 | 0 | 0 | 108.3 | A358 I363 V381 E383 F458 | I355-A358 HydrophobicContact CG2-CB 4.21Å; I355-I363 HydrophobicContact CD1-CG2 3.83Å; I355-V381 PolarHBondContact N-O 2.85Å; I355-E383 PolarHBondContact O-N 2.84Å; I355-F458 HydrophobicContact CD1-CE1 3.63Å; I355-F458 HydrophobicContact CD1-CZ 3.73Å; I355-F458 HydrophobicContact CG2-CE2 4.31Å; I355-F458 HydrophobicContact CG2-CZ 3.93Å |
| 356 | H | 89.6 | Confident | 83.3 | Confident | 122 Ų | 122 | 45.5 Ų | 45.5 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 147.2 | 177.6 | -55.8 | -70.4 | 0 | 0 | 0 | 112 | T354 A358 E383 | T354-H356 WeakPolarHBondContact CG2-CE1 3.37Å; H356-A358 VanDerWaalsContact C-N 3.26Å; H356-A358 PolarHBondContact O-N 3Å; H356-E383 CarbonylContact C-O 3.59Å; H356-E383 IonicContact CE1-OE2 2.98Å; H356-E383 PolarHBondContact CE1-OE2 2.8Å; H356-E383 IonicContact CG-OE2 2.84Å; H356-E383 IonicContact ND1-OE2 3.22Å; H356-E383 PolarHBondContact ND1-OE2 3Å |
| 357 | N | 87.1 | Confident | 82.6 | Confident | 118 Ų | 118 | 47.6 Ų | 47.6 | 63% | 0.631 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 40.5 | -178.2 | -66.4 | -58.7 | 0 | 0 | 0 | 113.7 | T359 E383 | N357-T359 PolarHBondContact O-N 2.95Å; N357-E383 CarbonylContact C-O 3.59Å; N357-E383 WeakPolarHBondContact CA-O 3.44Å; N357-E383 PolarHBondContact N-O 3.35Å |
| 358 | A | 83.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 133.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I355 H356 I382 E383 L390 F458 A460 | I355-A358 HydrophobicContact CG2-CB 4.21Å; H356-A358 VanDerWaalsContact C-N 3.26Å; H356-A358 PolarHBondContact O-N 3Å; A358-I382 HydrophobicContact CB-CG2 3.57Å; A358-E383 WeakPolarHBondContact CB-O 3.43Å; A358-E383 PolarHBondContact N-O 3.18Å; A358-L390 HydrophobicContact CB-CD2 4.1Å; A358-F458 HydrophobicContact CB-CD2 4.06Å; A358-F458 HydrophobicContact CB-CE2 3.76Å; A358-A460 WeakPolarHBondContact O-CB 3.32Å |
| 359 | T | 80.8 | Confident | 80 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -127.1 | -53.6 | 177.2 | 50 | 0 | 0 | 0 | 0 | 110.8 | N357 A460 | N357-T359 PolarHBondContact O-N 2.95Å; T359-A460 PolarHBondContact O-N 3.27Å |
| 360 | L | 83.9 | Confident | 78.8 | Confident | 102 Ų | 102 | 52 Ų | 52 | 53% | 0.534 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 140.4 | 172 | 174.2 | 61.9 | 0 | 0 | 0 | 108.4 | R457 F458 E459 | L360-R457 HydrophobicContact CD1-CG 4.29Å; L360-F458 WeakPolarHBondContact CA-O 3.45Å; L360-E459 HydrophobicContact CD1-CB 4.3Å; L360-E459 HydrophobicContact CD1-CG 4.48Å |
| 361 | G | 81.4 | Confident | 77.6 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -169.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R457 F458 | G361-R457 CarbonylContact O-C 3.59Å; G361-R457 WeakPolarHBondContact O-CA 3.38Å; G361-F458 VanDerWaalsContact CA-CZ 3.43Å; G361-F458 PolarHBondContact N-O 2.87Å; G361-F458 PolarHBondContact O-N 2.82Å |
| 362 | R | 81.6 | Confident | 76.3 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.6 | -176.1 | -177.9 | -175.9 | -61.7 | -88.5 | -5.7 | 110.1 | S320 G321 V364 E395 S455 L456 | S320-R362 WeakPolarHBondContact O-CB 3.33Å; S320-R362 WeakPolarHBondContact O-CD 3.45Å; S320-R362 WeakPolarHBondContact OG-CB 3.3Å; S320-R362 PolarHBondContact OG-NE 3.38Å; G321-R362 WeakPolarHBondContact CA-O 3.43Å; R362-V364 HydrophobicContact CG-CG1 4.26Å; R362-E395 IonicContact CZ-OE1 3.86Å; R362-E395 IonicContact CZ-OE2 3.43Å; R362-E395 VanDerWaalsContact NH1-CD 3.31Å; R362-E395 IonicContact NH1-OE1 2.72Å; R362-E395 IonicContact NH1-OE2 3.85Å; R362-E395 PolarHBondContact NH1-OE2 2.91Å; R362-E395 VanDerWaalsContact NH2-CD 3.27Å; R362-E395 IonicContact NH2-OE1 3.88Å; R362-E395 PolarHBondContact NH2-OE1 2.6Å; R362-E395 IonicContact NH2-OE2 3.2Å; R362-E395 PolarHBondContact NH2-OE2 3.49Å; R362-S455 WeakPolarHBondContact CD-OG 3.36Å; R362-S455 PolarHBondContact NH1-OG 3.25Å; R362-L456 CarbonylContact C-O 3.25Å; R362-L456 VanDerWaalsContact CA-O 3.29Å; R362-L456 WeakPolarHBondContact CA-O 3.21Å |
| 363 | I | 87.8 | Confident | 75 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.3 | 164.8 | 58.2 | 173.2 | 0 | 0 | 0 | 109.6 | I355 W380 I382 V441 S455 L456 F458 | I355-I363 HydrophobicContact CD1-CG2 3.83Å; I363-W380 HydrophobicContact CB-CD2 4.34Å; I363-W380 HydrophobicContact CB-CG 4.31Å; I363-W380 HydrophobicContact CD1-CB 4.08Å; I363-W380 HydrophobicContact CD1-CD2 3.82Å; I363-W380 HydrophobicContact CD1-CE3 3.98Å; I363-W380 HydrophobicContact CD1-CG 3.89Å; I363-W380 HydrophobicContact CG2-CG 4.06Å; I363-I382 HydrophobicContact CD1-CD1 4.36Å; I363-V441 HydrophobicContact CD1-CB 4.31Å; I363-V441 HydrophobicContact CD1-CG1 4.18Å; I363-V441 HydrophobicContact CD1-CG2 4.36Å; I363-S455 WeakPolarHBondContact O-CA 3.36Å; I363-L456 HydrophobicContact CD1-CB 4.38Å; I363-L456 HydrophobicContact CD1-CD1 4.18Å; I363-L456 HydrophobicContact CG1-CB 3.86Å; I363-L456 HydrophobicContact CG1-CD1 4.45Å; I363-L456 PolarHBondContact N-O 2.91Å; I363-L456 PolarHBondContact O-N 2.79Å; I363-F458 HydrophobicContact CG2-CE1 4.21Å |
| 364 | V | 84.4 | Confident | 73.7 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 147.2 | -174.3 | -82.5 | 0 | 0 | 0 | 0 | 111.4 | G321 Y322 A349 R362 W380 L454 S455 | G321-V364 VanDerWaalsContact O-CG2 3.24Å; G321-V364 WeakPolarHBondContact O-CG2 3.06Å; Y322-V364 HydrophobicContact CD2-CG2 4.03Å; Y322-V364 HydrophobicContact CE1-CG2 4.27Å; Y322-V364 HydrophobicContact CE2-CB 4.4Å; Y322-V364 HydrophobicContact CE2-CG1 4.14Å; Y322-V364 HydrophobicContact CE2-CG2 3.81Å; Y322-V364 HydrophobicContact CG-CG2 4.37Å; A349-V364 HydrophobicContact CB-CB 4.25Å; A349-V364 HydrophobicContact CB-CG2 3.7Å; R362-V364 HydrophobicContact CG-CG1 4.26Å; V364-W380 WeakPolarHBondContact O-CZ2 3.19Å; V364-L454 VanDerWaalsContact CA-O 3.3Å; V364-L454 WeakPolarHBondContact CA-O 3.33Å; V364-S455 WeakPolarHBondContact CG1-OG 3.48Å |
| 365 | S | 80.9 | Confident | 72.8 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 3% | 0.028 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 148.2 | 168.4 | 45.6 | 0 | 0 | 0 | 0 | 111.8 | A349 L452 L454 | A349-S365 WeakPolarHBondContact CB-O 3.36Å; S365-L452 PolarHBondContact OG-O 3.09Å; S365-L454 PolarHBondContact N-O 3.04Å; S365-L454 WeakPolarHBondContact OG-CB 3.49Å; S365-L454 PolarHBondContact OG-N 3.5Å |
| 366 | P | 76.7 | Confident | 72.2 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 12% | 0.117 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 146.8 | 164.6 | -22.8 | 33.5 | 0 | 0 | 0 | 113 | A349 C351 L376 | A349-P366 HydrophobicContact CB-CG 4.27Å; C351-P366 HydrophobicContact CB-CG 3.74Å; P366-L376 HydrophobicContact CG-CD1 4.32Å |
| 367 | E | 69.5 | Low | 72 | Confident | 93 Ų | 93 | 58 Ų | 58 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 151.9 | 172.5 | -62.3 | -177.3 | 166.3 | 0 | 0 | 111.6 | H300 G369 G370 | H300-E367 IonicContact CD2-OE1 2.68Å; H300-E367 IonicContact CE1-OE1 3.72Å; H300-E367 PolarHBondContact CE1-OE1 2.98Å; H300-E367 IonicContact NE2-OE1 2.91Å; H300-E367 PolarHBondContact NE2-OE1 2.91Å; E367-G369 PolarHBondContact O-N 3.31Å; E367-G369 VanDerWaalsContact O-N 3.09Å; E367-G370 PolarHBondContact O-N 3.32Å |
| 368 | P | 56 | Low | 72 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 41% | 0.409 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 114.5 | 172.9 | -28.2 | 36.8 | 0 | 0 | 0 | 112.5 | P448 N450 | P368-P448 WeakPolarHBondContact CB-O 3.32Å; P368-N450 VanDerWaalsContact CG-O 3.28Å; P368-N450 WeakPolarHBondContact CG-O 3.33Å |
| 369 | G | 55.8 | Low | 72.3 | Confident | 82 Ų | 82 | 57.2 Ų | 57.2 | 85% | 0.845 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.7 | -21.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E367 | E367-G369 PolarHBondContact O-N 3.31Å; E367-G369 VanDerWaalsContact O-N 3.09Å |
| 370 | G | 54.7 | Low | 72.9 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 54% | 0.536 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -81.5 | -19.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E367 | E367-G370 PolarHBondContact O-N 3.32Š|
| 371 | A | 51.5 | Low | 73.3 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -103.8 | 129.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G373 L376 | A371-G373 PolarHBondContact O-N 2.99Å; A371-L376 HydrophobicContact CB-CD1 4.07Å |
| 372 | V | 50.3 | Low | 73.9 | Confident | 161 Ų | 161 | 48.7 Ų | 48.7 | 98% | 0.976 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -86.8 | 81.6 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 373 | G | 54.8 | Low | 74.4 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 169.6 | 155.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A371 | A371-G373 PolarHBondContact O-N 2.99Š|
| 374 | P | 58.8 | Low | 74.5 | Confident | 98 Ų | 98 | 49.3 Ų | 49.3 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72 | -31 | 173.5 | 27.8 | -32.1 | 0 | 0 | 0 | 112.8 | E446 P448 | P374-E446 VanDerWaalsContact O-O 3.1Å; P374-P448 WeakPolarHBondContact O-CD 3.31Å |
| 375 | N | 70.9 | Confident | 74.5 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -112.6 | 134.6 | 179.9 | -56 | 70.4 | 0 | 0 | 0 | 109.9 | S445 | N375-S445 CarbonylContact C-O 3.5Å; N375-S445 VanDerWaalsContact CA-O 3.32Å; N375-S445 WeakPolarHBondContact CA-O 3.37Å |
| 376 | L | 76.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.8 | 178.1 | 179.1 | 73 | 0 | 0 | 0 | 109.5 | P366 A371 S445 | P366-L376 HydrophobicContact CG-CD1 4.32Å; A371-L376 HydrophobicContact CB-CD1 4.07Å; L376-S445 PolarHBondContact N-O 2.81Å; L376-S445 PolarHBondContact O-N 3.2Å |
| 377 | T | 84.9 | Confident | 74.7 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 105.7 | 172.6 | 76.4 | 0 | 0 | 0 | 0 | 110.8 | R379 L443 L444 | T377-R379 PolarHBondContact OG1-NH1 3.28Å; T377-L443 CarbonylContact C-O 3.59Å; T377-L443 WeakPolarHBondContact CA-O 3.42Å; T377-L444 HydrophobicContact CG2-CD2 3.63Å |
| 378 | C | 86.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.9 | 178.8 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | C351 W380 E442 L443 | C351-C378 VanDerWaalsContact CA-SG 3.57Å; C351-C378 HydrophobicContact CB-CB 4.07Å; C351-C378 WeakPolarHBondContact CB-SG 3.45Å; C351-C378 WeakPolarHBondContact SG-CA 3.17Å; C351-C378 WeakPolarHBondContact SG-CB 3.03Å; C351-C378 CovalentContact SG-SG 2.04Å; C351-C378 PolarHBondContact SG-SG 3.35Å; C378-W380 HydrophobicContact CB-CE3 4.16Å; C378-W380 HydrophobicContact CB-CH2 3.22Å; C378-W380 HydrophobicContact CB-CZ2 3.6Å; C378-W380 HydrophobicContact CB-CZ3 3.52Å; C378-E442 WeakPolarHBondContact O-CA 3.4Å; C378-L443 HydrophobicContact CB-CB 4.39Å; C378-L443 PolarHBondContact N-O 3.5Å; C378-L443 PolarHBondContact O-N 2.79Å |
| 379 | R | 90.7 | Very high | 76.5 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 107.7 | -177.5 | -67 | 177.4 | -178.3 | 84.2 | 13.8 | 110.4 | G352 G353 T377 Y440 V441 E442 | G352-R379 CarbonylContact C-O 3.52Å; G352-R379 WeakPolarHBondContact CA-O 3.37Å; G353-R379 PolarHBondContact N-O 2.88Å; T377-R379 PolarHBondContact OG1-NH1 3.28Å; R379-Y440 WeakPolarHBondContact CD-OH 3.31Å; R379-V441 CarbonylContact C-O 3.2Å; R379-V441 WeakPolarHBondContact CA-O 3.02Å; R379-E442 HydrophobicContact CG-CB 4.4Å; R379-E442 HydrophobicContact CG-CG 4.03Å; R379-E442 IonicContact CZ-OE1 3.11Å; R379-E442 IonicContact NE-OE1 2.75Å; R379-E442 PolarHBondContact NE-OE1 3.45Å; R379-E442 IonicContact NH2-OE1 2.69Å; R379-E442 PolarHBondContact NH2-OE1 3.1Å |
| 380 | W | 92.8 | Very high | 77.9 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.8 | 178.7 | -57.7 | -90 | 0 | 0 | 0 | 110.8 | S350 G352 G353 I363 V364 C378 V441 L443 L454 | S350-W380 PolarHBondContact O-NE1 3.06Å; G352-W380 VanDerWaalsContact N-NE1 3.11Å; G353-W380 WeakPolarHBondContact O-CA 3.45Å; I363-W380 HydrophobicContact CB-CD2 4.34Å; I363-W380 HydrophobicContact CB-CG 4.31Å; I363-W380 HydrophobicContact CD1-CB 4.08Å; I363-W380 HydrophobicContact CD1-CD2 3.82Å; I363-W380 HydrophobicContact CD1-CE3 3.98Å; I363-W380 HydrophobicContact CD1-CG 3.89Å; I363-W380 HydrophobicContact CG2-CG 4.06Å; V364-W380 WeakPolarHBondContact O-CZ2 3.19Å; C378-W380 HydrophobicContact CB-CE3 4.16Å; C378-W380 HydrophobicContact CB-CH2 3.22Å; C378-W380 HydrophobicContact CB-CZ2 3.6Å; C378-W380 HydrophobicContact CB-CZ3 3.52Å; W380-V441 HydrophobicContact CB-CB 4.42Å; W380-V441 HydrophobicContact CE3-CB 4.26Å; W380-V441 HydrophobicContact CE3-CG1 4Å; W380-V441 HydrophobicContact CZ3-CG1 4.41Å; W380-V441 PolarHBondContact N-O 2.96Å; W380-V441 PolarHBondContact O-N 2.82Å; W380-L443 HydrophobicContact CH2-CB 4.36Å; W380-L443 HydrophobicContact CH2-CD2 4.47Å; W380-L443 HydrophobicContact CZ3-CB 3.92Å; W380-L454 HydrophobicContact CH2-CD2 4.45Å; W380-L454 HydrophobicContact CZ3-CD2 4.41Å |
| 381 | V | 93.2 | Very high | 79.3 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.1 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | G353 T354 I355 E383 L439 Y440 | G353-V381 PolarHBondContact O-N 3.09Å; T354-V381 CarbonylContact C-O 3.58Å; T354-V381 VanDerWaalsContact CA-O 3.32Å; T354-V381 WeakPolarHBondContact CA-O 3.47Å; T354-V381 HydrophobicContact CG2-CB 4.01Å; T354-V381 HydrophobicContact CG2-CG1 4.17Å; I355-V381 PolarHBondContact N-O 2.85Å; V381-E383 HydrophobicContact CG1-CG 4.03Å; V381-L439 WeakPolarHBondContact CA-O 3.45Å; V381-Y440 HydrophobicContact CG2-CD2 3.92Å |
| 382 | I | 93.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.9 | -179.3 | -49.2 | 173.9 | 0 | 0 | 0 | 107 | A358 I363 L390 L392 S438 L439 F458 | A358-I382 HydrophobicContact CB-CG2 3.57Å; I363-I382 HydrophobicContact CD1-CD1 4.36Å; I382-L390 HydrophobicContact CB-CD1 3.96Å; I382-L390 HydrophobicContact CG2-CD1 3.7Å; I382-L390 HydrophobicContact CG2-CD2 3.93Å; I382-L390 HydrophobicContact CG2-CG 4.48Å; I382-L390 WeakPolarHBondContact O-CD1 3.4Å; I382-L392 HydrophobicContact CD1-CD1 4.44Å; I382-S438 CarbonylContact O-C 3.58Å; I382-S438 WeakPolarHBondContact O-CA 3.42Å; I382-S438 VanDerWaalsContact O-CB 3.3Å; I382-S438 WeakPolarHBondContact O-CB 3.37Å; I382-L439 HydrophobicContact CB-CB 4.47Å; I382-L439 PolarHBondContact N-O 3.3Å; I382-L439 PolarHBondContact O-N 3.3Å; I382-F458 HydrophobicContact CD1-CB 4.1Å; I382-F458 HydrophobicContact CD1-CD1 3.82Å; I382-F458 HydrophobicContact CD1-CG 4.03Å; I382-F458 HydrophobicContact CG2-CD1 4.49Å; I382-F458 HydrophobicContact CG2-CD2 3.91Å; I382-F458 HydrophobicContact CG2-CE2 4.22Å; I382-F458 HydrophobicContact CG2-CG 4.06Å |
| 383 | E | 92.1 | Very high | 82.3 | Confident | 69 Ų | 69 | 44.4 Ų | 44.4 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 113.4 | -177.3 | -57.2 | -176.3 | 154.1 | 0 | 0 | 109.9 | I355 H356 N357 A358 V381 | I355-E383 PolarHBondContact O-N 2.84Å; H356-E383 CarbonylContact C-O 3.59Å; H356-E383 IonicContact CE1-OE2 2.98Å; H356-E383 PolarHBondContact CE1-OE2 2.8Å; H356-E383 IonicContact CG-OE2 2.84Å; H356-E383 IonicContact ND1-OE2 3.22Å; H356-E383 PolarHBondContact ND1-OE2 3Å; N357-E383 CarbonylContact C-O 3.59Å; N357-E383 WeakPolarHBondContact CA-O 3.44Å; N357-E383 PolarHBondContact N-O 3.35Å; A358-E383 WeakPolarHBondContact CB-O 3.43Å; A358-E383 PolarHBondContact N-O 3.18Å; V381-E383 HydrophobicContact CG1-CG 4.03Å |
| 384 | A | 89.3 | Confident | 83.5 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 165.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R388 L390 Q437 A460 | A384-R388 HydrophobicContact CB-CB 4.01Å; A384-L390 HydrophobicContact CB-CD2 4.07Å; A384-L390 HydrophobicContact CB-CG 4.08Å; A384-Q437 PolarHBondContact N-O 2.9Å; A384-A460 HydrophobicContact CB-CB 4Å |
| 385 | A | 85.8 | Confident | 84.2 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 154.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | G387 R388 | A385-G387 PolarHBondContact O-N 3.46Å; A385-R388 WeakPolarHBondContact O-CB 3.37Å; A385-R388 PolarHBondContact O-N 2.81Å; A385-R388 VanDerWaalsContact O-N 3.09Å |
| 386 | E | 83.7 | Confident | 84.4 | Confident | 179 Ų | 179 | 45.5 Ų | 45.5 | 84% | 0.836 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.2 | -179.3 | -172.1 | 174.9 | -169.5 | 0 | 0 | 112.1 | R388 | E386-R388 VanDerWaalsContact C-N 3.32Š|
| 387 | G | 77.9 | Confident | 84.4 | Confident | 57 Ų | 57 | 47 Ų | 47 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 6.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A385 | A385-G387 PolarHBondContact O-N 3.46Š|
| 388 | R | 80.9 | Confident | 84 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 151.4 | 173.1 | -65.9 | -174.3 | 174.3 | 160.8 | -2 | 112.7 | A384 A385 E386 Q437 F461 E462 | A384-R388 HydrophobicContact CB-CB 4.01Å; A385-R388 WeakPolarHBondContact O-CB 3.37Å; A385-R388 PolarHBondContact O-N 2.81Å; A385-R388 VanDerWaalsContact O-N 3.09Å; E386-R388 VanDerWaalsContact C-N 3.32Å; R388-Q437 VanDerWaalsContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CB 3.45Å; R388-F461 CarbonylContact C-O 3.43Å; R388-F461 WeakPolarHBondContact CA-O 3.5Å; R388-F461 VanDerWaalsContact CB-O 3.29Å; R388-F461 WeakPolarHBondContact CB-O 3.49Å; R388-E462 HydrophobicContact CG-CG 4.02Å; R388-E462 IonicContact CZ-OE1 3.72Å; R388-E462 IonicContact NE-OE1 3.19Å; R388-E462 PolarHBondContact NE-OE1 3.14Å; R388-E462 IonicContact NH2-OE1 3.06Å; R388-E462 PolarHBondContact NH2-OE1 2.71Å |
| 389 | R | 82.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 163.6 | 174 | -65.6 | 174.8 | -178.1 | -126.7 | 7.4 | 109.9 | S434 D435 A460 F461 E463 | R389-S434 WeakPolarHBondContact CD-O 3.31Å; R389-D435 IonicContact NH1-OD1 3.59Å; R389-A460 CarbonylContact O-C 3.56Å; R389-A460 VanDerWaalsContact O-CA 3.26Å; R389-A460 WeakPolarHBondContact O-CA 3.48Å; R389-F461 HydrophobicContact CB-CD1 4.32Å; R389-F461 HydrophobicContact CB-CE1 3.7Å; R389-F461 HydrophobicContact CB-CE2 4.08Å; R389-F461 HydrophobicContact CB-CZ 3.56Å; R389-F461 HydrophobicContact CG-CZ 4.49Å; R389-F461 PolarHBondContact N-O 2.68Å; R389-F461 WeakPolarHBondContact O-CD1 3.45Å; R389-F461 PolarHBondContact O-N 2.68Å; R389-E463 IonicContact CZ-OE1 2.74Å; R389-E463 IonicContact CZ-OE2 2.76Å; R389-E463 IonicContact NE-OE2 3.92Å; R389-E463 PolarHBondContact NE-OE2 2.89Å; R389-E463 IonicContact NH2-OE1 2.71Å; R389-E463 PolarHBondContact NH2-OE1 2.94Å; R389-E463 IonicContact NH2-OE2 3.45Å; R389-E463 PolarHBondContact NH2-OE2 3.3Å |
| 390 | L | 85.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136 | -178.7 | -69.6 | 163.4 | 0 | 0 | 0 | 110.7 | A358 I382 A384 I433 S434 L439 E459 A460 | A358-L390 HydrophobicContact CB-CD2 4.1Å; I382-L390 HydrophobicContact CB-CD1 3.96Å; I382-L390 HydrophobicContact CG2-CD1 3.7Å; I382-L390 HydrophobicContact CG2-CD2 3.93Å; I382-L390 HydrophobicContact CG2-CG 4.48Å; I382-L390 WeakPolarHBondContact O-CD1 3.4Å; A384-L390 HydrophobicContact CB-CD2 4.07Å; A384-L390 HydrophobicContact CB-CG 4.08Å; L390-I433 WeakPolarHBondContact O-CA 3.39Å; L390-S434 PolarHBondContact N-OG 3.23Å; L390-S434 PolarHBondContact O-N 3.38Å; L390-S434 PolarHBondContact O-OG 2.87Å; L390-L439 HydrophobicContact CB-CD1 3.7Å; L390-L439 HydrophobicContact CB-CG 4.12Å; L390-L439 HydrophobicContact CD1-CB 4.16Å; L390-L439 HydrophobicContact CD1-CD1 4.21Å; L390-L439 HydrophobicContact CD1-CG 4Å; L390-E459 WeakPolarHBondContact CA-O 3.44Å; L390-A460 HydrophobicContact CD2-CB 3.91Å |
| 391 | H | 83.3 | Confident | 82.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.3 | 171.5 | -174.5 | -169.7 | 0 | 0 | 0 | 108.9 | H393 R430 L432 I433 F458 E459 F461 | H391-H393 AromaticContact CD2-CE1 3.83Å; H391-H393 AromaticContact CE1-CE1 3.49Å; H391-H393 PolarHBondContact CE1-CE1 3.49Å; H391-H393 VanDerWaalsContact CE1-CE1 3.49Å; H391-H393 AromaticContact CE1-NE2 3.24Å; H391-H393 PolarHBondContact CE1-NE2 3.14Å; H391-H393 AromaticContact CG-CE1 3.49Å; H391-H393 VanDerWaalsContact CG-CE1 3.49Å; H391-H393 AromaticContact ND1-CE1 3.3Å; H391-H393 PolarHBondContact ND1-CE1 2.73Å; H391-H393 VanDerWaalsContact ND1-CE1 3.3Å; H391-H393 AromaticContact ND1-NE2 3.51Å; H391-H393 AromaticContact NE2-CE1 3.82Å; H391-H393 AromaticContact NE2-NE2 3.68Å; H391-H393 PolarHBondContact O-ND1 3.23Å; H391-R430 PolarHBondContact NE2-O 2.82Å; H391-L432 CarbonylContact C-O 3.59Å; H391-L432 WeakPolarHBondContact CA-O 3.4Å; H391-L432 PolarHBondContact CD2-O 3.16Å; H391-I433 HydrophobicContact CB-CG1 4.5Å; H391-F458 WeakPolarHBondContact O-CA 3.31Å; H391-E459 PolarHBondContact N-O 3.34Å; H391-E459 PolarHBondContact O-N 3.06Å; H391-F461 HydrophobicContact CB-CD1 4.08Å; H391-F461 HydrophobicContact CB-CE1 3.98Å |
| 392 | L | 83.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.2 | -176.4 | -171.2 | 68.2 | 0 | 0 | 0 | 110.2 | I382 V408 G431 L432 L439 V441 L456 F458 | I382-L392 HydrophobicContact CD1-CD1 4.44Å; L392-V408 HydrophobicContact CD2-CG1 3.9Å; L392-V408 HydrophobicContact CD2-CG2 3.99Å; L392-G431 CarbonylContact O-C 3.49Å; L392-G431 WeakPolarHBondContact O-CA 3.17Å; L392-L432 PolarHBondContact N-O 3.08Å; L392-L432 PolarHBondContact O-N 2.87Å; L392-L439 HydrophobicContact CB-CD1 3.99Å; L392-L439 HydrophobicContact CD2-CD1 4.36Å; L392-V441 HydrophobicContact CD2-CG2 4.15Å; L392-L456 HydrophobicContact CD1-CB 3.87Å; L392-L456 HydrophobicContact CD2-CD1 4.28Å; L392-L456 HydrophobicContact CG-CB 4.42Å; L392-F458 HydrophobicContact CD1-CB 4.09Å |
| 393 | H | 80.6 | Confident | 80.6 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.1 | -177.8 | -59.8 | 76 | 0 | 0 | 0 | 110.2 | H391 L456 R457 F470 | H391-H393 AromaticContact CD2-CE1 3.83Å; H391-H393 AromaticContact CE1-CE1 3.49Å; H391-H393 PolarHBondContact CE1-CE1 3.49Å; H391-H393 VanDerWaalsContact CE1-CE1 3.49Å; H391-H393 AromaticContact CE1-NE2 3.24Å; H391-H393 PolarHBondContact CE1-NE2 3.14Å; H391-H393 AromaticContact CG-CE1 3.49Å; H391-H393 VanDerWaalsContact CG-CE1 3.49Å; H391-H393 AromaticContact ND1-CE1 3.3Å; H391-H393 PolarHBondContact ND1-CE1 2.73Å; H391-H393 VanDerWaalsContact ND1-CE1 3.3Å; H391-H393 AromaticContact ND1-NE2 3.51Å; H391-H393 AromaticContact NE2-CE1 3.82Å; H391-H393 AromaticContact NE2-NE2 3.68Å; H391-H393 PolarHBondContact O-ND1 3.23Å; H393-L456 CarbonylContact O-C 3.47Å; H393-L456 VanDerWaalsContact O-CA 3.26Å; H393-L456 WeakPolarHBondContact O-CA 3.27Å; H393-R457 HydrophobicContact CB-CB 4.19Å; H393-R457 WeakPolarHBondContact CB-O 3.45Å; H393-R457 PolarHBondContact CE1-NH1 2.93Å; H393-R457 VanDerWaalsContact CE1-NH1 3.32Å; H393-R457 PolarHBondContact N-O 3.02Å; H393-R457 PolarHBondContact ND1-NH1 2.68Å; H393-R457 PolarHBondContact ND1-O 2.98Å; H393-R457 PolarHBondContact O-N 2.93Å; H393-F470 AromaticContact CD2-CD2 3.42Å; H393-F470 VanDerWaalsContact CD2-CD2 3.42Å; H393-F470 WeakPolarHBondContact CD2-CD2 3.04Å; H393-F470 AromaticContact CD2-CE2 3.97Å; H393-F470 AromaticContact CD2-CG 3.71Å |
| 394 | F | 79.8 | Confident | 80.2 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 10% | 0.096 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 98.8 | 176.8 | -65.1 | -106.1 | 0 | 0 | 0 | 108.2 | V397 L406 V408 Y420 V427 P428 L432 L456 | F394-V397 HydrophobicContact CB-CG2 3.93Å; F394-V397 HydrophobicContact CD1-CG2 3.68Å; F394-V397 HydrophobicContact CG-CG2 4.3Å; F394-L406 HydrophobicContact CE1-CD2 3.93Å; F394-V408 HydrophobicContact CZ-CG2 4.44Å; F394-Y420 HydrophobicContact CE1-CD1 4.3Å; F394-Y420 HydrophobicContact CE1-CE1 4.11Å; F394-Y420 HydrophobicContact CZ-CD1 4.13Å; F394-Y420 HydrophobicContact CZ-CE1 4.35Å; F394-Y420 HydrophobicContact CZ-CG 4.47Å; F394-V427 HydrophobicContact CB-CG1 3.66Å; F394-V427 HydrophobicContact CD1-CG1 3.87Å; F394-V427 HydrophobicContact CG-CG1 3.79Å; F394-P428 HydrophobicContact CD2-CG 4.18Å; F394-P428 HydrophobicContact CE2-CG 3.91Å; F394-L432 HydrophobicContact CE2-CD1 3.62Å; F394-L432 HydrophobicContact CE2-CG 3.83Å; F394-L432 HydrophobicContact CZ-CD1 3.56Å; F394-L432 HydrophobicContact CZ-CG 4.26Å; F394-L456 HydrophobicContact CB-CD2 4.13Å; F394-L456 HydrophobicContact CD1-CD2 3.34Å; F394-L456 HydrophobicContact CE1-CD2 3.83Å; F394-L456 HydrophobicContact CG-CD2 3.75Å |
| 395 | E | 73.8 | Confident | 80.1 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -36.3 | -179.1 | -73 | -170.4 | -152.2 | 0 | 0 | 112.5 | R362 S455 R457 | R362-E395 IonicContact CZ-OE1 3.86Å; R362-E395 IonicContact CZ-OE2 3.43Å; R362-E395 VanDerWaalsContact NH1-CD 3.31Å; R362-E395 IonicContact NH1-OE1 2.72Å; R362-E395 IonicContact NH1-OE2 3.85Å; R362-E395 PolarHBondContact NH1-OE2 2.91Å; R362-E395 VanDerWaalsContact NH2-CD 3.27Å; R362-E395 IonicContact NH2-OE1 3.88Å; R362-E395 PolarHBondContact NH2-OE1 2.6Å; R362-E395 IonicContact NH2-OE2 3.2Å; R362-E395 PolarHBondContact NH2-OE2 3.49Å; E395-S455 PolarHBondContact N-O 2.9Å; E395-R457 HydrophobicContact CG-CB 4.35Å; E395-R457 WeakPolarHBondContact OE1-CB 3.46Å; E395-R457 WeakPolarHBondContact OE1-CD 3.24Å |
| 396 | R | 74.8 | Confident | 80.2 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 56% | 0.562 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134.2 | 170.5 | -60.1 | -177 | -176.4 | 151.1 | 4.1 | 108.9 | L453 S455 | R396-L453 CarbonylContact C-O 3.55Å; R396-L453 WeakPolarHBondContact CB-O 3.29Å; R396-S455 PolarHBondContact N-O 2.96Å; R396-S455 VanDerWaalsContact N-O 3.15Å; R396-S455 PolarHBondContact O-N 2.91Å |
| 397 | V | 76.9 | Confident | 80.6 | Confident | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | trans | -141.9 | 129.3 | 174.4 | -171.5 | 0 | 0 | 0 | 0 | 106.3 | F394 L399 V427 L454 | F394-V397 HydrophobicContact CB-CG2 3.93Å; F394-V397 HydrophobicContact CD1-CG2 3.68Å; F394-V397 HydrophobicContact CG-CG2 4.3Å; V397-L399 HydrophobicContact CG1-CD1 4.11Å; V397-L399 HydrophobicContact CG1-CG 3.84Å; V397-V427 HydrophobicContact CB-CG2 4.25Å; V397-V427 HydrophobicContact CG1-CG2 4Å; V397-V427 HydrophobicContact CG2-CG1 4Å; V397-V427 HydrophobicContact CG2-CG2 4.21Å; V397-L454 HydrophobicContact CG2-CD1 4.41Å | ||
| 398 | S | 77.2 | Confident | 81.3 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | trans | -154.6 | 77.1 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 107 | L452 | S398-L452 WeakPolarHBondContact O-CD2 3.46Š| ||
| 399 | L | 76.8 | Confident | 81.8 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | trans | -96.1 | 149.1 | 177.7 | -53.2 | 178.3 | 0 | 0 | 0 | 108.7 | V397 D404 L406 L443 L452 | V397-L399 HydrophobicContact CG1-CD1 4.11Å; V397-L399 HydrophobicContact CG1-CG 3.84Å; L399-D404 HydrophobicContact CB-CB 3.96Å; L399-D404 HydrophobicContact CD2-CB 4.38Å; L399-L406 HydrophobicContact CD1-CB 3.65Å; L399-L406 HydrophobicContact CD1-CD2 4.44Å; L399-L443 HydrophobicContact CD2-CD1 3.76Å; L399-L452 HydrophobicContact CD2-CD2 3.61Å | ||
| 400 | D | 78.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.219 | 24% | 0.237 | C | C | . | . | trans | -81 | 122.5 | 165.8 | -162.2 | -55.4 | 0 | 0 | 0 | 110.9 | D402 N403 D404 N450 | D400-D402 VanDerWaalsContact C-N 3.26Å; D400-D402 PolarHBondContact O-N 2.68Å; D400-D402 PolarHBondContact OD1-N 3.1Å; D400-N403 HydrophobicContact CB-CB 4.09Å; D400-N403 PolarHBondContact O-N 3.08Å; D400-D404 HydrophobicContact CB-CB 4.38Å; D400-D404 PolarHBondContact N-OD2 3.15Å; D400-D404 PolarHBondContact O-N 2.66Å; D400-N450 PolarHBondContact OD2-ND2 2.82Å | ||
| 401 | E | 75.8 | Confident | 82.3 | Confident | 197 Ų | 197 | 49.1 Ų | 49.1 | 92% | 0.921 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.2 | -173.9 | -64.9 | 177.3 | -179.9 | 0 | 0 | 113.7 | ||
| 402 | D | 77.5 | Confident | 82.5 | Confident | 155 Ų | 155 | 50 Ų | 50 | 83% | 0.829 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -16.3 | 178.8 | -80.2 | -48.9 | 0 | 0 | 0 | 112.9 | D400 | D400-D402 VanDerWaalsContact C-N 3.26Å; D400-D402 PolarHBondContact O-N 2.68Å; D400-D402 PolarHBondContact OD1-N 3.1Å |
| 403 | N | 76.6 | Confident | 82.7 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -13.7 | -163.3 | -85.1 | 112.1 | 0 | 0 | 0 | 116.8 | D400 E446 | D400-N403 HydrophobicContact CB-CB 4.09Å; D400-N403 PolarHBondContact O-N 3.08Å; N403-E446 PolarHBondContact O-N 3.44Å |
| 404 | D | 83.4 | Confident | 83 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.3 | -179.1 | -61.7 | -28 | 0 | 0 | 0 | 111.8 | L399 D400 L444 S445 L452 | L399-D404 HydrophobicContact CB-CB 3.96Å; L399-D404 HydrophobicContact CD2-CB 4.38Å; D400-D404 HydrophobicContact CB-CB 4.38Å; D400-D404 PolarHBondContact N-OD2 3.15Å; D400-D404 PolarHBondContact O-N 2.66Å; D404-L444 CarbonylContact C-O 3.57Å; D404-L444 WeakPolarHBondContact CA-O 3.32Å; D404-S445 WeakPolarHBondContact OD1-CA 3.29Å; D404-S445 WeakPolarHBondContact OD1-CB 3.44Å; D404-S445 PolarHBondContact OD1-OG 3.47Å; D404-L452 WeakPolarHBondContact OD2-CD2 3.29Å |
| 405 | R | 86.9 | Confident | 83.4 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.6 | 177.6 | 178.8 | 168.4 | -173 | 165.4 | -4.6 | 113.1 | M407 D421 S422 D423 L443 L444 | R405-M407 HydrophobicContact CG-CE 4.26Å; R405-M407 HydrophobicContact CG-CG 4.36Å; R405-D421 IonicContact CZ-OD1 3.24Å; R405-D421 VanDerWaalsContact CZ-OD1 3.24Å; R405-D421 IonicContact CZ-OD2 3.69Å; R405-D421 IonicContact NE-OD1 2.8Å; R405-D421 PolarHBondContact NE-OD1 3.08Å; R405-D421 IonicContact NE-OD2 3.99Å; R405-D421 IonicContact NH2-OD1 2.99Å; R405-D421 PolarHBondContact NH2-OD1 3.12Å; R405-D421 IonicContact NH2-OD2 2.68Å; R405-D421 PolarHBondContact NH2-OD2 3.03Å; R405-S422 WeakPolarHBondContact CA-OG 3.47Å; R405-D423 WeakPolarHBondContact CD-OD1 3.39Å; R405-D423 WeakPolarHBondContact CD-OD2 3.31Å; R405-D423 WeakPolarHBondContact CG-OD1 3.27Å; R405-D423 IonicContact CZ-OD1 3.96Å; R405-D423 IonicContact CZ-OD2 3.07Å; R405-D423 IonicContact NE-OD1 3.43Å; R405-D423 PolarHBondContact NE-OD1 2.68Å; R405-D423 IonicContact NE-OD2 3.31Å; R405-D423 PolarHBondContact NE-OD2 2.96Å; R405-D423 IonicContact NH1-OD2 2.66Å; R405-D423 PolarHBondContact NH1-OD2 3.07Å; R405-D423 IonicContact NH2-OD2 3.89Å; R405-L443 CarbonylContact O-C 3.56Å; R405-L443 WeakPolarHBondContact O-CA 3.39Å; R405-L444 PolarHBondContact N-O 2.88Å; R405-L444 PolarHBondContact O-N 2.92Å |
| 406 | L | 88.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.4 | 174.6 | 179.2 | 63.5 | 0 | 0 | 0 | 110.6 | F394 L399 Y420 S422 V441 E442 L443 L454 L456 | F394-L406 HydrophobicContact CE1-CD2 3.93Å; L399-L406 HydrophobicContact CD1-CB 3.65Å; L399-L406 HydrophobicContact CD1-CD2 4.44Å; L406-Y420 HydrophobicContact CD2-CE1 4.35Å; L406-Y420 HydrophobicContact CG-CE1 4.49Å; L406-S422 PolarHBondContact N-OG 2.6Å; L406-S422 PolarHBondContact O-N 3Å; L406-V441 HydrophobicContact CD1-CG1 3.8Å; L406-E442 WeakPolarHBondContact CA-O 3.43Å; L406-L443 HydrophobicContact CB-CD1 4.41Å; L406-L443 HydrophobicContact CD1-CB 4.37Å; L406-L454 HydrophobicContact CD1-CD2 3.89Å; L406-L454 HydrophobicContact CD2-CD1 3.67Å; L406-L454 HydrophobicContact CD2-CD2 4.3Å; L406-L456 HydrophobicContact CD2-CD1 4.47Å |
| 407 | M | 90.9 | Very high | 85 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.9 | 173.7 | -75.7 | 173.4 | -84 | 0 | 0 | 111 | R405 R409 D421 V441 E442 L444 | R405-M407 HydrophobicContact CG-CE 4.26Å; R405-M407 HydrophobicContact CG-CG 4.36Å; M407-R409 PolarHBondContact SD-NH2 2.85Å; M407-D421 VanDerWaalsContact CG-OD1 3.24Å; M407-D421 WeakPolarHBondContact CG-OD1 3.22Å; M407-V441 WeakPolarHBondContact O-CA 3.07Å; M407-E442 HydrophobicContact CE-CG 4.49Å; M407-E442 PolarHBondContact N-O 2.9Å; M407-E442 PolarHBondContact O-N 3.05Å; M407-L444 HydrophobicContact CE-CD1 4.01Å |
| 408 | V | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.9 | 170.7 | -174.5 | 0 | 0 | 0 | 0 | 110 | L392 F394 I419 Y420 L432 L439 V441 | L392-V408 HydrophobicContact CD2-CG1 3.9Å; L392-V408 HydrophobicContact CD2-CG2 3.99Å; F394-V408 HydrophobicContact CZ-CG2 4.44Å; V408-I419 HydrophobicContact CB-CG1 4.26Å; V408-I419 HydrophobicContact CG1-CD1 4.01Å; V408-I419 HydrophobicContact CG1-CG1 3.94Å; V408-I419 WeakPolarHBondContact O-CG1 3.45Å; V408-I419 PolarHBondContact O-N 2.8Å; V408-Y420 HydrophobicContact CG2-CD1 4.22Å; V408-Y420 PolarHBondContact N-O 3.31Å; V408-Y420 PolarHBondContact O-N 2.86Å; V408-L432 HydrophobicContact CB-CD1 4.01Å; V408-L432 HydrophobicContact CG1-CD1 4.11Å; V408-L432 HydrophobicContact CG2-CD1 4.1Å; V408-L439 HydrophobicContact CG1-CD2 4.07Å; V408-V441 HydrophobicContact CG1-CG2 4.27Å; V408-V441 HydrophobicContact CG2-CG1 4.41Å; V408-V441 HydrophobicContact CG2-CG2 4.38Å |
| 409 | R | 92.3 | Very high | 86.1 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.8 | -176.1 | -60.9 | 175.8 | -179 | -80.8 | -12 | 112.2 | M407 G411 P414 S416 P417 V418 L439 Y440 | M407-R409 PolarHBondContact SD-NH2 2.85Å; R409-G411 PolarHBondContact O-N 2.77Å; R409-P414 PolarHBondContact NE-O 2.84Å; R409-P414 PolarHBondContact NH1-O 3.11Å; R409-S416 WeakPolarHBondContact CD-O 2.98Å; R409-S416 PolarHBondContact NH1-O 2.8Å; R409-P417 CarbonylContact C-O 3.59Å; R409-P417 WeakPolarHBondContact CA-O 3.44Å; R409-P417 WeakPolarHBondContact CB-O 3.3Å; R409-V418 VanDerWaalsContact NH1-CG2 3.27Å; R409-L439 WeakPolarHBondContact O-CA 3.35Å; R409-L439 WeakPolarHBondContact O-CD2 3.45Å; R409-Y440 HydrophobicContact CB-CD1 4.38Å; R409-Y440 HydrophobicContact CG-CD1 4.31Å; R409-Y440 PolarHBondContact N-O 2.88Å; R409-Y440 PolarHBondContact O-N 2.77Å |
| 410 | S | 89.8 | Confident | 86.8 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 94.3 | 178 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | S416 P417 D435 A436 | S410-S416 WeakPolarHBondContact O-CB 3.32Å; S410-P417 PolarHBondContact N-O 3.4Å; S410-D435 WeakPolarHBondContact OG-CB 3.32Å; S410-D435 PolarHBondContact OG-N 2.89Å; S410-A436 PolarHBondContact OG-N 3.31Å |
| 411 | G | 87.7 | Confident | 87.3 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 121.7 | 147 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R409 S413 S416 S438 Y440 | R409-G411 PolarHBondContact O-N 2.77Å; G411-S413 PolarHBondContact O-N 3.27Å; G411-S416 WeakPolarHBondContact O-CB 3.1Å; G411-S416 PolarHBondContact O-OG 2.71Å; G411-S438 VanDerWaalsContact CA-O 3.29Å; G411-S438 WeakPolarHBondContact CA-O 3.47Å; G411-S438 WeakPolarHBondContact CA-OG 3.16Å; G411-S438 PolarHBondContact N-O 3.3Å; G411-Y440 VanDerWaalsContact O-CB 3.25Å; G411-Y440 WeakPolarHBondContact O-CB 3.18Å; G411-Y440 PolarHBondContact O-N 2.73Å |
| 412 | G | 87.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -72.8 | 31.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | S438 | G412-S438 PolarHBondContact N-OG 2.7Š|
| 413 | S | 87.8 | Confident | 88.1 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -136.7 | 152.2 | -179.9 | 87.3 | 0 | 0 | 0 | 0 | 112.9 | G411 L415 S416 | G411-S413 PolarHBondContact O-N 3.27Å; S413-L415 PolarHBondContact O-N 2.04Å; S413-L415 PolarHBondContact OG-N 2.88Å; S413-S416 PolarHBondContact N-OG 2.98Å; S413-S416 WeakPolarHBondContact O-CB 3.3Å; S413-S416 PolarHBondContact O-N 2.95Å; S413-S416 PolarHBondContact O-OG 3.24Å; S413-S416 PolarHBondContact OG-N 2.82Å; S413-S416 PolarHBondContact OG-OG 2.86Å |
| 414 | P | 86.4 | Confident | 88.4 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.4 | 174.8 | 27.1 | -35.2 | 0 | 0 | 0 | 113.3 | R409 S416 Y440 | R409-P414 PolarHBondContact NE-O 2.84Å; R409-P414 PolarHBondContact NH1-O 3.11Å; P414-S416 VanDerWaalsContact C-N 3.34Å; P414-Y440 HydrophobicContact CB-CE1 4.19Å; P414-Y440 HydrophobicContact CB-CE2 4.2Å |
| 415 | L | 89.4 | Confident | 88.3 | Confident | 166 Ų | 166 | 49.8 Ų | 49.8 | 87% | 0.869 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.6 | 175.5 | -60.6 | 178.6 | 0 | 0 | 0 | 113 | S413 | S413-L415 PolarHBondContact O-N 2.04Å; S413-L415 PolarHBondContact OG-N 2.88Å |
| 416 | S | 91.4 | Very high | 87.8 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 12% | 0.119 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -70.2 | 152.7 | 179.8 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | R409 S410 G411 S413 P414 V418 | R409-S416 WeakPolarHBondContact CD-O 2.98Å; R409-S416 PolarHBondContact NH1-O 2.8Å; S410-S416 WeakPolarHBondContact O-CB 3.32Å; G411-S416 WeakPolarHBondContact O-CB 3.1Å; G411-S416 PolarHBondContact O-OG 2.71Å; S413-S416 PolarHBondContact N-OG 2.98Å; S413-S416 WeakPolarHBondContact O-CB 3.3Å; S413-S416 PolarHBondContact O-N 2.95Å; S413-S416 PolarHBondContact O-OG 3.24Å; S413-S416 PolarHBondContact OG-N 2.82Å; S413-S416 PolarHBondContact OG-OG 2.86Å; P414-S416 VanDerWaalsContact C-N 3.34Å; S416-V418 PolarHBondContact O-N 2.92Å |
| 417 | P | 89.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 134.6 | 179.4 | -26.5 | 35 | 0 | 0 | 0 | 112.6 | R409 S410 | R409-P417 CarbonylContact C-O 3.59Å; R409-P417 WeakPolarHBondContact CA-O 3.44Å; R409-P417 WeakPolarHBondContact CB-O 3.3Å; S410-P417 PolarHBondContact N-O 3.4Å |
| 418 | V | 89.4 | Confident | 86.5 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137 | 170.2 | -176.9 | 0 | 0 | 0 | 0 | 109 | R409 S416 Y420 D421 | R409-V418 VanDerWaalsContact NH1-CG2 3.27Å; S416-V418 PolarHBondContact O-N 2.92Å; V418-Y420 WeakPolarHBondContact CG1-O 3.48Å; V418-D421 HydrophobicContact CG1-CB 4.07Å |
| 419 | I | 89 | Confident | 85.2 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -6.8 | 169.3 | 60.2 | 170.7 | 0 | 0 | 0 | 113 | V408 L432 L439 | V408-I419 HydrophobicContact CB-CG1 4.26Å; V408-I419 HydrophobicContact CG1-CD1 4.01Å; V408-I419 HydrophobicContact CG1-CG1 3.94Å; V408-I419 WeakPolarHBondContact O-CG1 3.45Å; V408-I419 PolarHBondContact O-N 2.8Å; I419-L432 HydrophobicContact CD1-CB 4.27Å; I419-L439 HydrophobicContact CD1-CD2 3.78Å |
| 420 | Y | 90.4 | Very high | 83.7 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 138.9 | 171.2 | 175.9 | -100.5 | 0 | 0 | 0 | 110.4 | F394 L406 V408 V418 D425 D426 L432 | F394-Y420 HydrophobicContact CE1-CD1 4.3Å; F394-Y420 HydrophobicContact CE1-CE1 4.11Å; F394-Y420 HydrophobicContact CZ-CD1 4.13Å; F394-Y420 HydrophobicContact CZ-CE1 4.35Å; F394-Y420 HydrophobicContact CZ-CG 4.47Å; L406-Y420 HydrophobicContact CD2-CE1 4.35Å; L406-Y420 HydrophobicContact CG-CE1 4.49Å; V408-Y420 HydrophobicContact CG2-CD1 4.22Å; V408-Y420 PolarHBondContact N-O 3.31Å; V408-Y420 PolarHBondContact O-N 2.86Å; V418-Y420 WeakPolarHBondContact CG1-O 3.48Å; Y420-D425 HydrophobicContact CD2-CB 3.57Å; Y420-D425 HydrophobicContact CE2-CB 3.48Å; Y420-D425 VanDerWaalsContact CE2-CB 3.48Å; Y420-D425 WeakPolarHBondContact CE2-O 3.49Å; Y420-D425 PolarHBondContact OH-O 2.93Å; Y420-D426 WeakPolarHBondContact CE2-O 3.44Å; Y420-L432 HydrophobicContact CD1-CD1 4.47Å; Y420-L432 HydrophobicContact CG-CD1 3.9Å |
| 421 | D | 87.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.102 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 115 | 178 | -155.1 | -6.8 | 0 | 0 | 0 | 109.5 | R405 M407 V418 D423 M424 D425 | R405-D421 IonicContact CZ-OD1 3.24Å; R405-D421 VanDerWaalsContact CZ-OD1 3.24Å; R405-D421 IonicContact CZ-OD2 3.69Å; R405-D421 IonicContact NE-OD1 2.8Å; R405-D421 PolarHBondContact NE-OD1 3.08Å; R405-D421 IonicContact NE-OD2 3.99Å; R405-D421 IonicContact NH2-OD1 2.99Å; R405-D421 PolarHBondContact NH2-OD1 3.12Å; R405-D421 IonicContact NH2-OD2 2.68Å; R405-D421 PolarHBondContact NH2-OD2 3.03Å; M407-D421 VanDerWaalsContact CG-OD1 3.24Å; M407-D421 WeakPolarHBondContact CG-OD1 3.22Å; V418-D421 HydrophobicContact CG1-CB 4.07Å; D421-D423 PolarHBondContact O-N 3.29Å; D421-D423 VanDerWaalsContact O-N 3.1Å; D421-M424 HydrophobicContact CB-CB 4.38Å; D421-M424 HydrophobicContact CB-CG 4.36Å; D421-M424 PolarHBondContact O-N 2.97Å; D421-D425 PolarHBondContact N-OD2 2.85Å; D421-D425 VanDerWaalsContact N-OD2 3.08Å; D421-D425 PolarHBondContact O-N 3.11Å |
| 422 | S | 86.4 | Confident | 82.8 | Confident | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.1 | -172.6 | 54.3 | 0 | 0 | 0 | 0 | 114.7 | R405 L406 M424 | R405-S422 WeakPolarHBondContact CA-OG 3.47Å; L406-S422 PolarHBondContact N-OG 2.6Å; L406-S422 PolarHBondContact O-N 3Å; S422-M424 PolarHBondContact O-N 2.85Å |
| 423 | D | 84.3 | Confident | 82.5 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.6 | 177.8 | -54.3 | 20 | 0 | 0 | 0 | 112.6 | R405 D421 | R405-D423 WeakPolarHBondContact CD-OD1 3.39Å; R405-D423 WeakPolarHBondContact CD-OD2 3.31Å; R405-D423 WeakPolarHBondContact CG-OD1 3.27Å; R405-D423 IonicContact CZ-OD1 3.96Å; R405-D423 IonicContact CZ-OD2 3.07Å; R405-D423 IonicContact NE-OD1 3.43Å; R405-D423 PolarHBondContact NE-OD1 2.68Å; R405-D423 IonicContact NE-OD2 3.31Å; R405-D423 PolarHBondContact NE-OD2 2.96Å; R405-D423 IonicContact NH1-OD2 2.66Å; R405-D423 PolarHBondContact NH1-OD2 3.07Å; R405-D423 IonicContact NH2-OD2 3.89Å; D421-D423 PolarHBondContact O-N 3.29Å; D421-D423 VanDerWaalsContact O-N 3.1Å |
| 424 | M | 83.8 | Confident | 82.4 | Confident | 144 Ų | 144 | 71.4 Ų | 71.4 | 71% | 0.709 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | -29.6 | -167.6 | -56 | -72.4 | 132.2 | 0 | 0 | 113.4 | D421 S422 | D421-M424 HydrophobicContact CB-CB 4.38Å; D421-M424 HydrophobicContact CB-CG 4.36Å; D421-M424 PolarHBondContact O-N 2.97Å; S422-M424 PolarHBondContact O-N 2.85Å |
| 425 | D | 80 | Confident | 82.2 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -124.6 | 128.3 | -169 | -61.5 | -52.9 | 0 | 0 | 0 | 112.6 | Y420 D421 | Y420-D425 HydrophobicContact CD2-CB 3.57Å; Y420-D425 HydrophobicContact CE2-CB 3.48Å; Y420-D425 VanDerWaalsContact CE2-CB 3.48Å; Y420-D425 WeakPolarHBondContact CE2-O 3.49Å; Y420-D425 PolarHBondContact OH-O 2.93Å; D421-D425 PolarHBondContact N-OD2 2.85Å; D421-D425 VanDerWaalsContact N-OD2 3.08Å; D421-D425 PolarHBondContact O-N 3.11Å | ||
| 426 | D | 77.6 | Confident | 81.8 | Confident | 158 Ų | 158 | 67 Ų | 67 | 85% | 0.845 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 145.6 | 167.6 | -71.5 | -56.2 | 0 | 0 | 0 | 111.7 | Y420 P428 | Y420-D426 WeakPolarHBondContact CE2-O 3.44Å; D426-P428 WeakPolarHBondContact O-CD 3.21Å |
| 427 | V | 78.1 | Confident | 81.6 | Confident | 67 Ų | 67 | 71 Ų | 71 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 119.1 | 179.9 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | F394 V397 E429 | F394-V427 HydrophobicContact CB-CG1 3.66Å; F394-V427 HydrophobicContact CD1-CG1 3.87Å; F394-V427 HydrophobicContact CG-CG1 3.79Å; V397-V427 HydrophobicContact CB-CG2 4.25Å; V397-V427 HydrophobicContact CG1-CG2 4Å; V397-V427 HydrophobicContact CG2-CG1 4Å; V397-V427 HydrophobicContact CG2-CG2 4.21Å; V427-E429 PolarHBondContact O-N 3.33Å |
| 428 | P | 74.1 | Confident | 81.6 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 119.8 | -169 | 27.3 | -33.8 | 0 | 0 | 0 | 112.5 | F394 D426 R430 G431 L432 | F394-P428 HydrophobicContact CD2-CG 4.18Å; F394-P428 HydrophobicContact CE2-CG 3.91Å; D426-P428 WeakPolarHBondContact O-CD 3.21Å; P428-R430 PolarHBondContact O-N 3.49Å; P428-G431 PolarHBondContact O-N 2.9Å; P428-L432 HydrophobicContact CG-CD2 3.97Å; P428-L432 HydrophobicContact CG-CG 3.92Å |
| 429 | E | 65.6 | Low | 81.8 | Confident | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -28.6 | -178.6 | -66.9 | -172.1 | 153.6 | 0 | 0 | 115.2 | V427 F470 | V427-E429 PolarHBondContact O-N 3.33Å; E429-F470 WeakPolarHBondContact O-CD1 3.33Å |
| 430 | R | 61.9 | Low | 82 | Confident | 168 Ų | 168 | 63 Ų | 63 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 3.2 | -176.3 | -61.8 | -176.8 | -175.8 | 172.6 | 3.1 | 113.6 | H391 P428 | H391-R430 PolarHBondContact NE2-O 2.82Å; P428-R430 PolarHBondContact O-N 3.49Å |
| 431 | G | 76.1 | Confident | 82.1 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | trans | 71.3 | -173.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L392 P428 | L392-G431 CarbonylContact O-C 3.49Å; L392-G431 WeakPolarHBondContact O-CA 3.17Å; P428-G431 PolarHBondContact O-N 2.9Å | ||
| 432 | L | 81.1 | Confident | 82.2 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143.6 | -178.1 | -65.6 | 164.8 | 0 | 0 | 0 | 111 | H391 L392 F394 V408 I419 Y420 P428 | H391-L432 CarbonylContact C-O 3.59Å; H391-L432 WeakPolarHBondContact CA-O 3.4Å; H391-L432 PolarHBondContact CD2-O 3.16Å; L392-L432 PolarHBondContact N-O 3.08Å; L392-L432 PolarHBondContact O-N 2.87Å; F394-L432 HydrophobicContact CE2-CD1 3.62Å; F394-L432 HydrophobicContact CE2-CG 3.83Å; F394-L432 HydrophobicContact CZ-CD1 3.56Å; F394-L432 HydrophobicContact CZ-CG 4.26Å; V408-L432 HydrophobicContact CB-CD1 4.01Å; V408-L432 HydrophobicContact CG1-CD1 4.11Å; V408-L432 HydrophobicContact CG2-CD1 4.1Å; I419-L432 HydrophobicContact CD1-CB 4.27Å; Y420-L432 HydrophobicContact CD1-CD1 4.47Å; Y420-L432 HydrophobicContact CG-CD1 3.9Å; P428-L432 HydrophobicContact CG-CD2 3.97Å; P428-L432 HydrophobicContact CG-CG 3.92Å |
| 433 | I | 82.5 | Confident | 82.3 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 33% | 0.328 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.4 | 175 | -67.7 | 172.8 | 0 | 0 | 0 | 108.8 | L390 H391 F461 F467 | L390-I433 WeakPolarHBondContact O-CA 3.39Å; H391-I433 HydrophobicContact CB-CG1 4.5Å; I433-F461 HydrophobicContact CG2-CE1 4.12Å; I433-F461 HydrophobicContact CG2-CZ 3.71Å; I433-F467 HydrophobicContact CD1-CD1 4.38Å; I433-F467 HydrophobicContact CD1-CE1 4.31Å |
| 434 | S | 85.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -83.8 | 141.1 | 175.2 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | R389 L390 A436 | R389-S434 WeakPolarHBondContact CD-O 3.31Å; L390-S434 PolarHBondContact N-OG 3.23Å; L390-S434 PolarHBondContact O-N 3.38Å; L390-S434 PolarHBondContact O-OG 2.87Å; S434-A436 VanDerWaalsContact CB-O 3.27Å; S434-A436 WeakPolarHBondContact CB-O 3.44Å; S434-A436 PolarHBondContact OG-O 2.04Å | ||
| 435 | D | 81.5 | Confident | 82.2 | Confident | 117 Ų | 117 | 53.3 Ų | 53.3 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -82.9 | -25.2 | 167.5 | -62.8 | -60.6 | 0 | 0 | 0 | 112.4 | R389 S410 | R389-D435 IonicContact NH1-OD1 3.59Å; S410-D435 WeakPolarHBondContact OG-CB 3.32Å; S410-D435 PolarHBondContact OG-N 2.89Å |
| 436 | A | 81.8 | Confident | 81.9 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 26% | 0.256 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -98 | 163.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S410 S434 S438 | S410-A436 PolarHBondContact OG-N 3.31Å; S434-A436 VanDerWaalsContact CB-O 3.27Å; S434-A436 WeakPolarHBondContact CB-O 3.44Å; S434-A436 PolarHBondContact OG-O 2.04Å; A436-S438 PolarHBondContact O-N 2.84Å |
| 437 | Q | 87.1 | Confident | 81.3 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68.6 | 5.7 | 170.4 | 72.8 | -172 | 16 | 0 | 0 | 114.5 | A384 R388 | A384-Q437 PolarHBondContact N-O 2.9Å; R388-Q437 VanDerWaalsContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CB 3.45Å |
| 438 | S | 90.7 | Very high | 80.3 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154 | -177.3 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | I382 G411 G412 A436 | I382-S438 CarbonylContact O-C 3.58Å; I382-S438 WeakPolarHBondContact O-CA 3.42Å; I382-S438 VanDerWaalsContact O-CB 3.3Å; I382-S438 WeakPolarHBondContact O-CB 3.37Å; G411-S438 VanDerWaalsContact CA-O 3.29Å; G411-S438 WeakPolarHBondContact CA-O 3.47Å; G411-S438 WeakPolarHBondContact CA-OG 3.16Å; G411-S438 PolarHBondContact N-O 3.3Å; G412-S438 PolarHBondContact N-OG 2.7Å; A436-S438 PolarHBondContact O-N 2.84Å |
| 439 | L | 92.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.3 | 171.9 | -74.9 | 173.9 | 0 | 0 | 0 | 109.6 | V381 I382 L390 L392 V408 R409 I419 | V381-L439 WeakPolarHBondContact CA-O 3.45Å; I382-L439 HydrophobicContact CB-CB 4.47Å; I382-L439 PolarHBondContact N-O 3.3Å; I382-L439 PolarHBondContact O-N 3.3Å; L390-L439 HydrophobicContact CB-CD1 3.7Å; L390-L439 HydrophobicContact CB-CG 4.12Å; L390-L439 HydrophobicContact CD1-CB 4.16Å; L390-L439 HydrophobicContact CD1-CD1 4.21Å; L390-L439 HydrophobicContact CD1-CG 4Å; L392-L439 HydrophobicContact CB-CD1 3.99Å; L392-L439 HydrophobicContact CD2-CD1 4.36Å; V408-L439 HydrophobicContact CG1-CD2 4.07Å; R409-L439 WeakPolarHBondContact O-CA 3.35Å; R409-L439 WeakPolarHBondContact O-CD2 3.45Å; I419-L439 HydrophobicContact CD1-CD2 3.78Å |
| 440 | Y | 92.7 | Very high | 78.6 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.1 | 167.1 | 173 | -78.2 | 0 | 0 | 0 | 107.9 | R379 V381 R409 G411 P414 E442 | R379-Y440 WeakPolarHBondContact CD-OH 3.31Å; V381-Y440 HydrophobicContact CG2-CD2 3.92Å; R409-Y440 HydrophobicContact CB-CD1 4.38Å; R409-Y440 HydrophobicContact CG-CD1 4.31Å; R409-Y440 PolarHBondContact N-O 2.88Å; R409-Y440 PolarHBondContact O-N 2.77Å; G411-Y440 VanDerWaalsContact O-CB 3.25Å; G411-Y440 WeakPolarHBondContact O-CB 3.18Å; G411-Y440 PolarHBondContact O-N 2.73Å; P414-Y440 HydrophobicContact CB-CE1 4.19Å; P414-Y440 HydrophobicContact CB-CE2 4.2Å; Y440-E442 HydrophobicContact CD1-CB 4.46Å; Y440-E442 HydrophobicContact CE1-CB 3.63Å; Y440-E442 WeakPolarHBondContact CE1-OE2 3.41Å; Y440-E442 VanDerWaalsContact OH-CD 3.3Å; Y440-E442 PolarHBondContact OH-OE2 3.2Å |
| 441 | V | 92.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | I363 R379 W380 L392 L406 M407 V408 L456 | I363-V441 HydrophobicContact CD1-CB 4.31Å; I363-V441 HydrophobicContact CD1-CG1 4.18Å; I363-V441 HydrophobicContact CD1-CG2 4.36Å; R379-V441 CarbonylContact C-O 3.2Å; R379-V441 WeakPolarHBondContact CA-O 3.02Å; W380-V441 HydrophobicContact CB-CB 4.42Å; W380-V441 HydrophobicContact CE3-CB 4.26Å; W380-V441 HydrophobicContact CE3-CG1 4Å; W380-V441 HydrophobicContact CZ3-CG1 4.41Å; W380-V441 PolarHBondContact N-O 2.96Å; W380-V441 PolarHBondContact O-N 2.82Å; L392-V441 HydrophobicContact CD2-CG2 4.15Å; L406-V441 HydrophobicContact CD1-CG1 3.8Å; M407-V441 WeakPolarHBondContact O-CA 3.07Å; V408-V441 HydrophobicContact CG1-CG2 4.27Å; V408-V441 HydrophobicContact CG2-CG1 4.41Å; V408-V441 HydrophobicContact CG2-CG2 4.38Å; V441-L456 HydrophobicContact CG1-CD1 4.19Å |
| 442 | E | 91.4 | Very high | 77.6 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.1 | -179.1 | 177.7 | 160.7 | -160 | 0 | 0 | 110.3 | C378 R379 L406 M407 Y440 L444 | C378-E442 WeakPolarHBondContact O-CA 3.4Å; R379-E442 HydrophobicContact CG-CB 4.4Å; R379-E442 HydrophobicContact CG-CG 4.03Å; R379-E442 IonicContact CZ-OE1 3.11Å; R379-E442 IonicContact NE-OE1 2.75Å; R379-E442 PolarHBondContact NE-OE1 3.45Å; R379-E442 IonicContact NH2-OE1 2.69Å; R379-E442 PolarHBondContact NH2-OE1 3.1Å; L406-E442 WeakPolarHBondContact CA-O 3.43Å; M407-E442 HydrophobicContact CE-CG 4.49Å; M407-E442 PolarHBondContact N-O 2.9Å; M407-E442 PolarHBondContact O-N 3.05Å; Y440-E442 HydrophobicContact CD1-CB 4.46Å; Y440-E442 HydrophobicContact CE1-CB 3.63Å; Y440-E442 WeakPolarHBondContact CE1-OE2 3.41Å; Y440-E442 VanDerWaalsContact OH-CD 3.3Å; Y440-E442 PolarHBondContact OH-OE2 3.2Å; E442-L444 HydrophobicContact CG-CD2 4.08Å; E442-L444 HydrophobicContact CG-CG 4.25Å |
| 443 | L | 87.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128 | 171.7 | 176.7 | 67.2 | 0 | 0 | 0 | 108.7 | T377 C378 W380 L399 R405 L406 L454 | T377-L443 CarbonylContact C-O 3.59Å; T377-L443 WeakPolarHBondContact CA-O 3.42Å; C378-L443 HydrophobicContact CB-CB 4.39Å; C378-L443 PolarHBondContact N-O 3.5Å; C378-L443 PolarHBondContact O-N 2.79Å; W380-L443 HydrophobicContact CH2-CB 4.36Å; W380-L443 HydrophobicContact CH2-CD2 4.47Å; W380-L443 HydrophobicContact CZ3-CB 3.92Å; L399-L443 HydrophobicContact CD2-CD1 3.76Å; R405-L443 CarbonylContact O-C 3.56Å; R405-L443 WeakPolarHBondContact O-CA 3.39Å; L406-L443 HydrophobicContact CB-CD1 4.41Å; L406-L443 HydrophobicContact CD1-CB 4.37Å; L443-L454 HydrophobicContact CB-CD2 4.37Å; L443-L454 HydrophobicContact CD1-CD2 4.37Å; L443-L454 HydrophobicContact CD2-CD2 3.94Å; L443-L454 HydrophobicContact CG-CD2 4.45Å |
| 444 | L | 86.8 | Confident | 76.7 | Confident | 52 Ų | 52 | 43 Ų | 43 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138.4 | 171.5 | -54.2 | 176.5 | 0 | 0 | 0 | 108.1 | T377 D404 R405 M407 E442 | T377-L444 HydrophobicContact CG2-CD2 3.63Å; D404-L444 CarbonylContact C-O 3.57Å; D404-L444 WeakPolarHBondContact CA-O 3.32Å; R405-L444 PolarHBondContact N-O 2.88Å; R405-L444 PolarHBondContact O-N 2.92Å; M407-L444 HydrophobicContact CE-CD1 4.01Å; E442-L444 HydrophobicContact CG-CD2 4.08Å; E442-L444 HydrophobicContact CG-CG 4.25Å |
| 445 | S | 79.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.1 | 173.5 | 173 | 0 | 0 | 0 | 0 | 108.9 | N375 L376 D404 L452 | N375-S445 CarbonylContact C-O 3.5Å; N375-S445 VanDerWaalsContact CA-O 3.32Å; N375-S445 WeakPolarHBondContact CA-O 3.37Å; L376-S445 PolarHBondContact N-O 2.81Å; L376-S445 PolarHBondContact O-N 3.2Å; D404-S445 WeakPolarHBondContact OD1-CA 3.29Å; D404-S445 WeakPolarHBondContact OD1-CB 3.44Å; D404-S445 PolarHBondContact OD1-OG 3.47Å; S445-L452 WeakPolarHBondContact OG-CD1 3.49Å |
| 446 | E | 73.3 | Confident | 76.8 | Confident | 125 Ų | 125 | 37.8 Ų | 37.8 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -92 | -18.9 | -178.7 | -62.1 | -153.4 | 155.1 | 0 | 0 | 114.1 | P374 N403 | P374-E446 VanDerWaalsContact O-O 3.1Å; N403-E446 PolarHBondContact O-N 3.44Å |
| 447 | T | 64.3 | Low | 76.9 | Confident | 66 Ų | 66 | 39 Ų | 39 | 41% | 0.405 | 22% | 0.218 | S | C | . | . | trans | -148.8 | 107.9 | 172.8 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | A449 | T447-A449 PolarHBondContact O-N 2.88Š| ||
| 448 | P | 56.8 | Low | 76.9 | Confident | 43 Ų | 43 | 34.6 Ų | 34.6 | 28% | 0.279 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 52.6 | 175.8 | 33.2 | -37.2 | 0 | 0 | 0 | 111.7 | P368 P374 | P368-P448 WeakPolarHBondContact CB-O 3.32Å; P374-P448 WeakPolarHBondContact O-CD 3.31Å |
| 449 | A | 50.3 | Low | 76.7 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 69% | 0.694 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -25.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T447 | T447-A449 PolarHBondContact O-N 2.88Š|
| 450 | N | 54.8 | Low | 76.3 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -100 | 149.9 | 173 | -70 | -38.1 | 0 | 0 | 0 | 110.6 | P368 D400 L452 | P368-N450 VanDerWaalsContact CG-O 3.28Å; P368-N450 WeakPolarHBondContact CG-O 3.33Å; D400-N450 PolarHBondContact OD2-ND2 2.82Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.43Å |
| 451 | P | 55.3 | Low | 75.5 | Confident | 81 Ų | 81 | 39.6 Ų | 39.6 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | trans | -70.7 | 87.8 | 174.5 | 29.7 | -34.2 | 0 | 0 | 0 | 110.9 | L453 | P451-L453 PolarHBondContact O-N 2.84Š| ||
| 452 | L | 60.3 | Low | 74.6 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | trans | -59.7 | 91.3 | 175.1 | -99 | 160.2 | 0 | 0 | 0 | 111.2 | S365 S398 L399 D404 S445 N450 L454 | S365-L452 PolarHBondContact OG-O 3.09Å; S398-L452 WeakPolarHBondContact O-CD2 3.46Å; L399-L452 HydrophobicContact CD2-CD2 3.61Å; D404-L452 WeakPolarHBondContact OD2-CD2 3.29Å; S445-L452 WeakPolarHBondContact OG-CD1 3.49Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.43Å; L452-L454 PolarHBondContact O-N 2.94Å | ||
| 453 | L | 67.1 | Low | 73 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | trans | -97.4 | 60.5 | 176.3 | -72.5 | 168.8 | 0 | 0 | 0 | 110.6 | R396 P451 | R396-L453 CarbonylContact C-O 3.55Å; R396-L453 WeakPolarHBondContact CB-O 3.29Å; P451-L453 PolarHBondContact O-N 2.84Å | ||
| 454 | L | 78.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | trans | -75.1 | 123.1 | 166.5 | -175.8 | 64.3 | 0 | 0 | 0 | 108.9 | V364 S365 W380 V397 L406 L443 L452 L456 | V364-L454 VanDerWaalsContact CA-O 3.3Å; V364-L454 WeakPolarHBondContact CA-O 3.33Å; S365-L454 PolarHBondContact N-O 3.04Å; S365-L454 WeakPolarHBondContact OG-CB 3.49Å; S365-L454 PolarHBondContact OG-N 3.5Å; W380-L454 HydrophobicContact CH2-CD2 4.45Å; W380-L454 HydrophobicContact CZ3-CD2 4.41Å; V397-L454 HydrophobicContact CG2-CD1 4.41Å; L406-L454 HydrophobicContact CD1-CD2 3.89Å; L406-L454 HydrophobicContact CD2-CD1 3.67Å; L406-L454 HydrophobicContact CD2-CD2 4.3Å; L443-L454 HydrophobicContact CB-CD2 4.37Å; L443-L454 HydrophobicContact CD1-CD2 4.37Å; L443-L454 HydrophobicContact CD2-CD2 3.94Å; L443-L454 HydrophobicContact CG-CD2 4.45Å; L452-L454 PolarHBondContact O-N 2.94Å; L454-L456 HydrophobicContact CD1-CD1 4.09Å; L454-L456 HydrophobicContact CD1-CD2 3.75Å; L454-L456 HydrophobicContact CD1-CG 3.82Å; L454-L456 HydrophobicContact CD2-CD1 4.31Å; L454-L456 HydrophobicContact CG-CD1 4.33Å; L454-L456 HydrophobicContact CG-CG 4.1Å | ||
| 455 | S | 83.9 | Confident | 69.5 | Low | 8 Ų | 8 | 60.2 Ų | 60.2 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 112.5 | 171.9 | -158.3 | 0 | 0 | 0 | 0 | 110.2 | R362 I363 V364 E395 R396 | R362-S455 WeakPolarHBondContact CD-OG 3.36Å; R362-S455 PolarHBondContact NH1-OG 3.25Å; I363-S455 WeakPolarHBondContact O-CA 3.36Å; V364-S455 WeakPolarHBondContact CG1-OG 3.48Å; E395-S455 PolarHBondContact N-O 2.9Å; R396-S455 PolarHBondContact N-O 2.96Å; R396-S455 VanDerWaalsContact N-O 3.15Å; R396-S455 PolarHBondContact O-N 2.91Å |
| 456 | L | 84.8 | Confident | 67.7 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.3 | -176.1 | -51.6 | 176.7 | 0 | 0 | 0 | 110.1 | R362 I363 L392 H393 F394 L406 V441 L454 | R362-L456 CarbonylContact C-O 3.25Å; R362-L456 VanDerWaalsContact CA-O 3.29Å; R362-L456 WeakPolarHBondContact CA-O 3.21Å; I363-L456 HydrophobicContact CD1-CB 4.38Å; I363-L456 HydrophobicContact CD1-CD1 4.18Å; I363-L456 HydrophobicContact CG1-CB 3.86Å; I363-L456 HydrophobicContact CG1-CD1 4.45Å; I363-L456 PolarHBondContact N-O 2.91Å; I363-L456 PolarHBondContact O-N 2.79Å; L392-L456 HydrophobicContact CD1-CB 3.87Å; L392-L456 HydrophobicContact CD2-CD1 4.28Å; L392-L456 HydrophobicContact CG-CB 4.42Å; H393-L456 CarbonylContact O-C 3.47Å; H393-L456 VanDerWaalsContact O-CA 3.26Å; H393-L456 WeakPolarHBondContact O-CA 3.27Å; F394-L456 HydrophobicContact CB-CD2 4.13Å; F394-L456 HydrophobicContact CD1-CD2 3.34Å; F394-L456 HydrophobicContact CE1-CD2 3.83Å; F394-L456 HydrophobicContact CG-CD2 3.75Å; L406-L456 HydrophobicContact CD2-CD1 4.47Å; V441-L456 HydrophobicContact CG1-CD1 4.19Å; L454-L456 HydrophobicContact CD1-CD1 4.09Å; L454-L456 HydrophobicContact CD1-CD2 3.75Å; L454-L456 HydrophobicContact CD1-CG 3.82Å; L454-L456 HydrophobicContact CD2-CD1 4.31Å; L454-L456 HydrophobicContact CG-CD1 4.33Å; L454-L456 HydrophobicContact CG-CG 4.1Å |
| 457 | R | 84.7 | Confident | 66.3 | Low | 58 Ų | 58 | 65.8 Ų | 65.8 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.8 | 177 | 167.7 | -173.7 | 179.3 | -76.7 | -3 | 109.7 | L360 G361 H393 E395 E459 | L360-R457 HydrophobicContact CD1-CG 4.29Å; G361-R457 CarbonylContact O-C 3.59Å; G361-R457 WeakPolarHBondContact O-CA 3.38Å; H393-R457 HydrophobicContact CB-CB 4.19Å; H393-R457 WeakPolarHBondContact CB-O 3.45Å; H393-R457 PolarHBondContact CE1-NH1 2.93Å; H393-R457 VanDerWaalsContact CE1-NH1 3.32Å; H393-R457 PolarHBondContact N-O 3.02Å; H393-R457 PolarHBondContact ND1-NH1 2.68Å; H393-R457 PolarHBondContact ND1-O 2.98Å; H393-R457 PolarHBondContact O-N 2.93Å; E395-R457 HydrophobicContact CG-CB 4.35Å; E395-R457 WeakPolarHBondContact OE1-CB 3.46Å; E395-R457 WeakPolarHBondContact OE1-CD 3.24Å; R457-E459 IonicContact CZ-OE2 3.43Å; R457-E459 IonicContact NH1-OE2 2.7Å; R457-E459 PolarHBondContact NH1-OE2 2.91Å; R457-E459 IonicContact NH2-OE2 2.76Å; R457-E459 PolarHBondContact NH2-OE2 2.8Å |
| 458 | F | 86.6 | Confident | 65 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.4 | 175.9 | 62.1 | -94.3 | 0 | 0 | 0 | 110.9 | I355 A358 L360 G361 I363 I382 H391 L392 | I355-F458 HydrophobicContact CD1-CE1 3.63Å; I355-F458 HydrophobicContact CD1-CZ 3.73Å; I355-F458 HydrophobicContact CG2-CE2 4.31Å; I355-F458 HydrophobicContact CG2-CZ 3.93Å; A358-F458 HydrophobicContact CB-CD2 4.06Å; A358-F458 HydrophobicContact CB-CE2 3.76Å; L360-F458 WeakPolarHBondContact CA-O 3.45Å; G361-F458 VanDerWaalsContact CA-CZ 3.43Å; G361-F458 PolarHBondContact N-O 2.87Å; G361-F458 PolarHBondContact O-N 2.82Å; I363-F458 HydrophobicContact CG2-CE1 4.21Å; I382-F458 HydrophobicContact CD1-CB 4.1Å; I382-F458 HydrophobicContact CD1-CD1 3.82Å; I382-F458 HydrophobicContact CD1-CG 4.03Å; I382-F458 HydrophobicContact CG2-CD1 4.49Å; I382-F458 HydrophobicContact CG2-CD2 3.91Å; I382-F458 HydrophobicContact CG2-CE2 4.22Å; I382-F458 HydrophobicContact CG2-CG 4.06Å; H391-F458 WeakPolarHBondContact O-CA 3.31Å; L392-F458 HydrophobicContact CD1-CB 4.09Å |
| 459 | E | 85.4 | Confident | 64 | Low | 80 Ų | 80 | 68.6 Ų | 68.6 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.4 | 176.4 | -175.5 | 168.7 | -179.6 | 0 | 0 | 109.4 | L360 L390 H391 R457 | L360-E459 HydrophobicContact CD1-CB 4.3Å; L360-E459 HydrophobicContact CD1-CG 4.48Å; L390-E459 WeakPolarHBondContact CA-O 3.44Å; H391-E459 PolarHBondContact N-O 3.34Å; H391-E459 PolarHBondContact O-N 3.06Å; R457-E459 IonicContact CZ-OE2 3.43Å; R457-E459 IonicContact NH1-OE2 2.7Å; R457-E459 PolarHBondContact NH1-OE2 2.91Å; R457-E459 IonicContact NH2-OE2 2.76Å; R457-E459 PolarHBondContact NH2-OE2 2.8Å |
| 460 | A | 85.4 | Confident | 63.4 | Low | 16 Ų | 16 | 68 Ų | 68 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A358 T359 A384 R389 L390 | A358-A460 WeakPolarHBondContact O-CB 3.32Å; T359-A460 PolarHBondContact O-N 3.27Å; A384-A460 HydrophobicContact CB-CB 4Å; R389-A460 CarbonylContact O-C 3.56Å; R389-A460 VanDerWaalsContact O-CA 3.26Å; R389-A460 WeakPolarHBondContact O-CA 3.48Å; L390-A460 HydrophobicContact CD2-CB 3.91Å |
| 461 | F | 75.8 | Confident | 62.6 | Low | 42 Ų | 42 | 69.5 Ų | 69.5 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 157.5 | -173 | 69.9 | -84.7 | 0 | 0 | 0 | 112.4 | R388 R389 H391 I433 | R388-F461 CarbonylContact C-O 3.43Å; R388-F461 WeakPolarHBondContact CA-O 3.5Å; R388-F461 VanDerWaalsContact CB-O 3.29Å; R388-F461 WeakPolarHBondContact CB-O 3.49Å; R389-F461 HydrophobicContact CB-CD1 4.32Å; R389-F461 HydrophobicContact CB-CE1 3.7Å; R389-F461 HydrophobicContact CB-CE2 4.08Å; R389-F461 HydrophobicContact CB-CZ 3.56Å; R389-F461 HydrophobicContact CG-CZ 4.49Å; R389-F461 PolarHBondContact N-O 2.68Å; R389-F461 WeakPolarHBondContact O-CD1 3.45Å; R389-F461 PolarHBondContact O-N 2.68Å; H391-F461 HydrophobicContact CB-CD1 4.08Å; H391-F461 HydrophobicContact CB-CE1 3.98Å; I433-F461 HydrophobicContact CG2-CE1 4.12Å; I433-F461 HydrophobicContact CG2-CZ 3.71Å |
| 462 | E | 73.9 | Confident | 61.7 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 28% | 0.28 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 136.3 | 176.9 | -71 | 155 | -173.6 | 0 | 0 | 109.7 | R388 D464 R465 | R388-E462 HydrophobicContact CG-CG 4.02Å; R388-E462 IonicContact CZ-OE1 3.72Å; R388-E462 IonicContact NE-OE1 3.19Å; R388-E462 PolarHBondContact NE-OE1 3.14Å; R388-E462 IonicContact NH2-OE1 3.06Å; R388-E462 PolarHBondContact NH2-OE1 2.71Å; E462-D464 PolarHBondContact O-N 2.96Å; E462-R465 HydrophobicContact CB-CG 4.36Å; E462-R465 PolarHBondContact O-N 3.39Å; E462-R465 VanDerWaalsContact O-N 3.07Å; E462-R465 IonicContact OE2-CZ 2.75Å; E462-R465 IonicContact OE2-NE 3.17Å; E462-R465 PolarHBondContact OE2-NE 3.43Å; E462-R465 IonicContact OE2-NH2 3.69Å; E462-R465 PolarHBondContact OE2-NH2 3.01Å |
| 463 | E | 57.6 | Low | 60.5 | Low | 122 Ų | 122 | 74.3 Ų | 74.3 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.2 | -172.4 | -170.8 | 157 | 154 | 0 | 0 | 114 | R389 R465 | R389-E463 IonicContact CZ-OE1 2.74Å; R389-E463 IonicContact CZ-OE2 2.76Å; R389-E463 IonicContact NE-OE2 3.92Å; R389-E463 PolarHBondContact NE-OE2 2.89Å; R389-E463 IonicContact NH2-OE1 2.71Å; R389-E463 PolarHBondContact NH2-OE1 2.94Å; R389-E463 IonicContact NH2-OE2 3.45Å; R389-E463 PolarHBondContact NH2-OE2 3.3Å; E463-R465 VanDerWaalsContact C-N 3.27Å; E463-R465 PolarHBondContact O-N 3.34Å |
| 464 | D | 53.5 | Low | 58.7 | Low | 161 Ų | 161 | 72.8 Ų | 72.8 | 86% | 0.861 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.2 | -179.1 | -55.3 | -16.1 | 0 | 0 | 0 | 114.3 | E462 | E462-D464 PolarHBondContact O-N 2.96Š|
| 465 | R | 46.3 | Very low | 56.5 | Low | 163 Ų | 163 | 77.6 Ų | 77.6 | 62% | 0.615 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -106.8 | 130.7 | -170.4 | -59.9 | -171.9 | -170.7 | -137.8 | 5.8 | 113 | E462 E463 F467 | E462-R465 HydrophobicContact CB-CG 4.36Å; E462-R465 PolarHBondContact O-N 3.39Å; E462-R465 VanDerWaalsContact O-N 3.07Å; E462-R465 IonicContact OE2-CZ 2.75Å; E462-R465 IonicContact OE2-NE 3.17Å; E462-R465 PolarHBondContact OE2-NE 3.43Å; E462-R465 IonicContact OE2-NH2 3.69Å; E462-R465 PolarHBondContact OE2-NH2 3.01Å; E463-R465 VanDerWaalsContact C-N 3.27Å; E463-R465 PolarHBondContact O-N 3.34Å; R465-F467 PolarHBondContact O-N 3.4Å |
| 466 | C | 42.2 | Very low | 54.1 | Low | 131 Ų | 131 | 82.3 Ų | 82.3 | 89% | 0.885 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 123.9 | 165 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 467 | F | 45.4 | Very low | 51.8 | Low | 112 Ų | 112 | 87.8 Ų | 87.8 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 147 | 172.2 | 61 | -88.5 | 0 | 0 | 0 | 111.1 | I433 R465 | I433-F467 HydrophobicContact CD1-CD1 4.38Å; I433-F467 HydrophobicContact CD1-CE1 4.31Å; R465-F467 PolarHBondContact O-N 3.4Å |
| 468 | A | 35.4 | Very low | 49.4 | Very low | 84 Ų | 84 | 90 Ų | 90 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -72 | 129.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | F470 | A468-F470 PolarHBondContact O-N 2.79Š|
| 469 | P | 36.8 | Very low | 46.8 | Very low | 84 Ų | 84 | 94.9 Ų | 94.9 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 126.5 | 178.7 | 26.9 | -33.5 | 0 | 0 | 0 | 109.7 | L471 | P469-L471 PolarHBondContact O-N 2.74Å; P469-L471 VanDerWaalsContact O-N 3.1Å |
| 470 | F | 36.8 | Very low | 44.4 | Very low | 71 Ų | 71 | 95.3 Ų | 95.3 | 31% | 0.311 | 55% | 0.547 | S | S | . | . | trans | -62.2 | 114.7 | 172.3 | 178.9 | -103.5 | 0 | 0 | 0 | 109.4 | H393 E429 A468 A472 | H393-F470 AromaticContact CD2-CD2 3.42Å; H393-F470 VanDerWaalsContact CD2-CD2 3.42Å; H393-F470 WeakPolarHBondContact CD2-CD2 3.04Å; H393-F470 AromaticContact CD2-CE2 3.97Å; H393-F470 AromaticContact CD2-CG 3.71Å; E429-F470 WeakPolarHBondContact O-CD1 3.33Å; A468-F470 PolarHBondContact O-N 2.79Å; F470-A472 HydrophobicContact CD1-CB 4.35Å; F470-A472 HydrophobicContact CE1-CB 3.89Å | ||
| 471 | L | 38.1 | Very low | 42 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | trans | -92.5 | 94.5 | 173.7 | -70.9 | 168.3 | 0 | 0 | 0 | 107.7 | P469 H473 | P469-L471 PolarHBondContact O-N 2.74Å; P469-L471 VanDerWaalsContact O-N 3.1Å; L471-H473 PolarHBondContact O-N 2.95Å; L471-H473 VanDerWaalsContact O-N 3.1Å | ||
| 472 | A | 36.8 | Very low | 40.1 | Very low | 55 Ų | 55 | 107.9 Ų | 107.9 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -51.7 | -34.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F470 | F470-A472 HydrophobicContact CD1-CB 4.35Å; F470-A472 HydrophobicContact CE1-CB 3.89Å |
| 473 | H | 34.5 | Very low | 38.2 | Very low | 130 Ų | 130 | 109.5 Ų | 109.5 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -135.4 | 97 | 178.2 | -57.7 | -30.4 | 0 | 0 | 0 | 113.2 | L471 S511 | L471-H473 PolarHBondContact O-N 2.95Å; L471-H473 VanDerWaalsContact O-N 3.1Å; H473-S511 PolarHBondContact O-OG 2.88Å |
| 474 | G | 31.1 | Very low | 36.9 | Very low | 38 Ų | 38 | 114 Ų | 114 | 39% | 0.392 | 64% | 0.638 | S | S | . | * | trans | 81.3 | 155.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 475 | N | 31.1 | Very low | 35.8 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | trans | -88.6 | 120.2 | 179.1 | -171.8 | 9.7 | 0 | 0 | 0 | 110.6 | T477 W591 | N475-T477 PolarHBondContact O-N 2.78Å; N475-W591 HydrophobicContact CB-CZ3 4.4Å | ||
| 476 | V | 34.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 109 Ų | 109 | 65% | 0.648 | 65% | 0.65 | S | S | * | * | trans | -88.8 | 95.2 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 477 | T | 35.8 | Very low | 34.6 | Very low | 114 Ų | 114 | 105.4 Ų | 105.4 | 70% | 0.699 | 63% | 0.629 | S | S | * | * | trans | -91.3 | 116.5 | 177.2 | 49 | 0 | 0 | 0 | 0 | 112 | N475 | N475-T477 PolarHBondContact O-N 2.78Š| ||
| 478 | T | 34 | Very low | 34.2 | Very low | 104 Ų | 104 | 111.7 Ų | 111.7 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | trans | -81.1 | 117 | 166.6 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | D480 | T478-D480 PolarHBondContact O-N 2.83Š| ||
| 479 | A | 32.6 | Very low | 34 | Very low | 111 Ų | 111 | 111 Ų | 111 | 92% | 0.917 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -79.9 | 40.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 480 | D | 33.7 | Very low | 33.8 | Very low | 89 Ų | 89 | 112.6 Ų | 112.6 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | trans | -135.4 | 119.9 | -176.2 | -145.6 | -8 | 0 | 0 | 0 | 108.1 | T478 E482 R506 | T478-D480 PolarHBondContact O-N 2.83Å; D480-E482 PolarHBondContact O-N 2.87Å; D480-R506 IonicContact OD2-CZ 3.72Å; D480-R506 IonicContact OD2-NH2 3.94Å; D480-R506 PolarHBondContact OD2-NH2 2.89Å | ||
| 481 | P | 35.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 84% | 0.844 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -4.6 | -154.8 | -19.6 | 34.6 | 0 | 0 | 0 | 118.7 | ||
| 482 | E | 36.9 | Very low | 33.3 | Very low | 193 Ų | 193 | 117.8 Ų | 117.8 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -13 | -167.1 | -73 | -161.9 | 114.5 | 0 | 0 | 116.6 | D480 | D480-E482 PolarHBondContact O-N 2.87Š|
| 483 | D | 33.6 | Very low | 33.4 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -94.6 | 120.6 | -179.9 | -99.8 | -42.4 | 0 | 0 | 0 | 112.6 | A487 | D483-A487 WeakPolarHBondContact OD1-CB 3.48Š|
| 484 | R | 30.1 | Very low | 33.1 | Very low | 218 Ų | 218 | 119.7 Ų | 119.7 | 82% | 0.823 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 150.5 | 171.4 | -82.8 | -176.3 | 173.4 | 177.9 | -2 | 111.5 | G486 A487 | R484-G486 PolarHBondContact O-N 3.41Å; R484-G486 VanDerWaalsContact O-N 3.16Å; R484-A487 PolarHBondContact O-N 3.1Å |
| 485 | P | 29.9 | Very low | 33.3 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 121.4 | 177.5 | 24.4 | -34.2 | 0 | 0 | 0 | 111 | ||
| 486 | G | 35.9 | Very low | 33.1 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.8 | -8.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | R484 R488 | R484-G486 PolarHBondContact O-N 3.41Å; R484-G486 VanDerWaalsContact O-N 3.16Å; G486-R488 PolarHBondContact O-N 2.88Å |
| 487 | A | 29 | Very low | 33.3 | Very low | 56 Ų | 56 | 125.8 Ų | 125.8 | 46% | 0.463 | 76% | 0.757 | S | S | . | * | trans | -68.4 | 125.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | D483 R484 A489 | D483-A487 WeakPolarHBondContact OD1-CB 3.48Å; R484-A487 PolarHBondContact O-N 3.1Å; A487-A489 PolarHBondContact O-N 2.93Å | ||
| 488 | R | 35.8 | Very low | 32.9 | Very low | 243 Ų | 243 | 129.5 Ų | 129.5 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | trans | -84 | 98.3 | 162 | -74.9 | -175.3 | 179.6 | 174 | 0.8 | 108.6 | G486 P490 | G486-R488 PolarHBondContact O-N 2.88Å; R488-P490 VanDerWaalsContact O-CD 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.29Å | ||
| 489 | A | 30.9 | Very low | 33.3 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 58% | 0.579 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 118.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A487 | A487-A489 PolarHBondContact O-N 2.93Š|
| 490 | P | 33.7 | Very low | 33.1 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 134.2 | 172.4 | 33.3 | -30.9 | 0 | 0 | 0 | 110.5 | R488 | R488-P490 VanDerWaalsContact O-CD 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.29Å |
| 491 | L | 32.4 | Very low | 33.1 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134.2 | 168.5 | -77.2 | 164.5 | 0 | 0 | 0 | 110 | S493 | L491-S493 PolarHBondContact O-N 2.65Š|
| 492 | P | 30.9 | Very low | 33 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.7 | -174.1 | 26.6 | -34.1 | 0 | 0 | 0 | 112.3 | S494 | P492-S494 VanDerWaalsContact C-N 3.34Å; P492-S494 PolarHBondContact O-N 3.46Å; P492-S494 VanDerWaalsContact O-N 3.08Å |
| 493 | S | 38.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -86.2 | 58.1 | -174.2 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | L491 | L491-S493 PolarHBondContact O-N 2.65Š| ||
| 494 | S | 30.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -150.8 | 95.8 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | P492 G496 | P492-S494 VanDerWaalsContact C-N 3.34Å; P492-S494 PolarHBondContact O-N 3.46Å; P492-S494 VanDerWaalsContact O-N 3.08Å; S494-G496 VanDerWaalsContact C-N 3.26Å; S494-G496 PolarHBondContact O-N 3.47Å | ||
| 495 | F | 34.2 | Very low | 34.1 | Very low | 203 Ų | 203 | 139 Ų | 139 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -76.9 | 76.5 | 166.1 | -109 | -89.7 | 0 | 0 | 0 | 110.5 | L530 | F495-L530 HydrophobicContact CE1-CD2 4.45Å; F495-L530 HydrophobicContact CE2-CD2 4.16Å; F495-L530 HydrophobicContact CZ-CD2 4.06Å | ||
| 496 | G | 26.8 | Very low | 34.8 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | -79.1 | 125.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110 | S494 Q498 | S494-G496 VanDerWaalsContact C-N 3.26Å; S494-G496 PolarHBondContact O-N 3.47Å; G496-Q498 PolarHBondContact O-N 3.49Å | ||
| 497 | A | 39 | Very low | 35.2 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -80.1 | 90.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 498 | Q | 28.3 | Very low | 36 | Very low | 193 Ų | 193 | 150.5 Ų | 150.5 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -141.1 | 150.3 | 162.6 | -117.1 | 164.6 | -20 | 0 | 0 | 111.7 | G496 E500 | G496-Q498 PolarHBondContact O-N 3.49Å; Q498-E500 PolarHBondContact O-N 2.81Å | ||
| 499 | R | 42 | Very low | 36.4 | Very low | 254 Ų | 254 | 145.4 Ų | 145.4 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -82 | 114 | -177 | -78.3 | 178.1 | 165.3 | -170.7 | -4.2 | 110.2 | ||||
| 500 | E | 27.4 | Very low | 37 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -145.7 | 118.5 | 171.1 | -128.9 | 171.4 | -162.3 | 0 | 0 | 112.7 | Q498 | Q498-E500 PolarHBondContact O-N 2.81Š| ||
| 501 | G | 33.7 | Very low | 37.3 | Very low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | 66 | 149.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | Q503 | G501-Q503 PolarHBondContact O-N 2.88Š| ||
| 502 | P | 33.4 | Very low | 37.8 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 116.1 | 147.9 | 30.5 | -28.9 | 0 | 0 | 0 | 108.5 | ||
| 503 | Q | 42.3 | Very low | 38.2 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 147.6 | 175.9 | -78.7 | -85 | -28.2 | 0 | 0 | 112.1 | G501 R505 | G501-Q503 PolarHBondContact O-N 2.88Å; Q503-R505 PolarHBondContact O-N 3.1Å |
| 504 | P | 37.7 | Very low | 38.2 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 122.5 | -179.8 | 24.5 | -34.1 | 0 | 0 | 0 | 111 | R506 | P504-R506 VanDerWaalsContact C-N 3.32Å; P504-R506 PolarHBondContact O-N 2.86Å |
| 505 | R | 43.3 | Very low | 38.9 | Very low | 232 Ų | 232 | 137.1 Ų | 137.1 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | trans | -68.9 | 86.3 | 175.7 | -73.1 | -179.5 | 168.7 | -175.5 | -5.7 | 110 | Q503 R507 | Q503-R505 PolarHBondContact O-N 3.1Å; R505-R507 PolarHBondContact O-N 2.94Å; R505-R507 VanDerWaalsContact O-N 3.09Å | ||
| 506 | R | 44.9 | Very low | 39.4 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | -54.8 | 114.8 | 171.9 | -73.9 | -169.9 | 163.3 | -159.6 | -11.1 | 109.1 | D480 P504 | D480-R506 IonicContact OD2-CZ 3.72Å; D480-R506 IonicContact OD2-NH2 3.94Å; D480-R506 PolarHBondContact OD2-NH2 2.89Å; P504-R506 VanDerWaalsContact C-N 3.32Å; P504-R506 PolarHBondContact O-N 2.86Å | ||
| 507 | R | 45.2 | Very low | 40.4 | Very low | 213 Ų | 213 | 134.1 Ų | 134.1 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -96.2 | 111.2 | -178.3 | -172.8 | -175.2 | -59.6 | -173.6 | 3.5 | 108.6 | R505 L509 | R505-R507 PolarHBondContact O-N 2.94Å; R505-R507 VanDerWaalsContact O-N 3.09Å; R507-L509 HydrophobicContact CG-CD2 4.36Å; R507-L509 HydrophobicContact CG-CG 4.42Å | ||
| 508 | L | 46.5 | Very low | 40.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 63% | 0.634 | 70% | 0.698 | S | S | * | * | trans | -87.2 | 141.4 | 167.9 | -62.2 | 172.9 | 0 | 0 | 0 | 108.7 | L517 | L508-L517 HydrophobicContact CD1-CD2 4.17Š| ||
| 509 | L | 44 | Very low | 41.5 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | trans | -127.7 | 131.3 | 176 | -66.1 | 169.9 | 0 | 0 | 0 | 107.1 | R507 | R507-L509 HydrophobicContact CG-CD2 4.36Å; R507-L509 HydrophobicContact CG-CG 4.42Å | ||
| 510 | S | 42.6 | Very low | 41.5 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | trans | -120.9 | 148 | 174.4 | -177 | 0 | 0 | 0 | 0 | 109.5 | G512 | S510-G512 PolarHBondContact OG-N 3.43Š| ||
| 511 | S | 40.9 | Very low | 42.4 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 45% | 0.448 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -102.7 | -10.8 | 173.4 | 59 | 0 | 0 | 0 | 0 | 113.2 | H473 | H473-S511 PolarHBondContact O-OG 2.88Š|
| 512 | G | 41.3 | Very low | 43 | Very low | 23 Ų | 23 | 128 Ų | 128 | 24% | 0.237 | 67% | 0.673 | C | S | . | * | S | Bend | trans | -86.7 | 163.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | S510 | S510-G512 PolarHBondContact OG-N 3.43Š|
| 513 | P | 40.8 | Very low | 43.6 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -69.3 | -34.9 | 178.6 | 28.5 | -33.9 | 0 | 0 | 0 | 112.7 | ||
| 514 | D | 38.3 | Very low | 44.2 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | trans | -107.5 | 152.9 | -176 | -68.4 | -71.9 | 0 | 0 | 0 | 112.7 | ||||
| 515 | L | 44.8 | Very low | 44.9 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 56% | 0.555 | 67% | 0.67 | S | S | * | * | trans | -142.7 | 99.7 | -179.6 | -176.6 | 80.4 | 0 | 0 | 0 | 111.3 | L517 | L515-L517 HydrophobicContact CD2-CD1 4.21Å; L515-L517 HydrophobicContact CD2-CD2 4.3Å; L515-L517 HydrophobicContact CD2-CG 4.2Å; L515-L517 HydrophobicContact CG-CD2 4.33Å; L515-L517 HydrophobicContact CG-CG 4.3Å | ||
| 516 | T | 43.9 | Very low | 45.2 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | trans | -86.9 | 117 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 517 | L | 47.3 | Very low | 45.5 | Very low | 65 Ų | 65 | 117 Ų | 117 | 34% | 0.34 | 67% | 0.672 | S | S | . | * | trans | -108.8 | 109.1 | 176.6 | -64.3 | 176.2 | 0 | 0 | 0 | 110.8 | L508 L515 F519 L536 | L508-L517 HydrophobicContact CD1-CD2 4.17Å; L515-L517 HydrophobicContact CD2-CD1 4.21Å; L515-L517 HydrophobicContact CD2-CD2 4.3Å; L515-L517 HydrophobicContact CD2-CG 4.2Å; L515-L517 HydrophobicContact CG-CD2 4.33Å; L515-L517 HydrophobicContact CG-CG 4.3Å; L517-F519 HydrophobicContact CB-CE2 3.76Å; L517-F519 HydrophobicContact CB-CZ 4.09Å; L517-F519 WeakPolarHBondContact O-CE2 3.45Å; L517-L536 HydrophobicContact CD1-CD1 3.77Å; L517-L536 HydrophobicContact CD1-CD2 4.19Å | ||
| 518 | Q | 42.6 | Very low | 45.7 | Very low | 170 Ų | 170 | 113.3 Ų | 113.3 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | -98.8 | 133.3 | 178.7 | -165.9 | 177.6 | 28.3 | 0 | 0 | 111.4 | ||||
| 519 | F | 47.7 | Very low | 45.8 | Very low | 122 Ų | 122 | 110.6 Ų | 110.6 | 54% | 0.535 | 68% | 0.677 | S | S | . | * | trans | -118.3 | 135.1 | 179.8 | -59.6 | -92.3 | 0 | 0 | 0 | 110.2 | L517 F534 | L517-F519 HydrophobicContact CB-CE2 3.76Å; L517-F519 HydrophobicContact CB-CZ 4.09Å; L517-F519 WeakPolarHBondContact O-CE2 3.45Å; F519-F534 AromaticContact CD1-CE1 3.86Å; F519-F534 HydrophobicContact CD1-CE1 3.86Å; F519-F534 AromaticContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD2-CE1 4.4Å; F519-F534 AromaticContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CE1-CD1 4.38Å; F519-F534 AromaticContact CE1-CE1 3.76Å; F519-F534 HydrophobicContact CE1-CE1 3.76Å; F519-F534 AromaticContact CE1-CE2 3.98Å; F519-F534 HydrophobicContact CE1-CE2 3.98Å; F519-F534 AromaticContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE2-CE1 4.33Å; F519-F534 AromaticContact CE2-CE2 3.8Å; F519-F534 HydrophobicContact CE2-CE2 3.8Å; F519-F534 AromaticContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CE2-CZ 3.4Å; F519-F534 VanDerWaalsContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CG-CE1 4.18Å; F519-F534 AromaticContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CZ-CD2 4.3Å; F519-F534 HydrophobicContact CZ-CE1 4.02Å; F519-F534 AromaticContact CZ-CE2 3.45Å; F519-F534 HydrophobicContact CZ-CE2 3.45Å; F519-F534 VanDerWaalsContact CZ-CE2 3.45Å; F519-F534 AromaticContact CZ-CZ 3.29Å; F519-F534 HydrophobicContact CZ-CZ 3.29Å | ||
| 520 | Q | 42.8 | Very low | 46 | Very low | 174 Ų | 174 | 109.9 Ų | 109.9 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | -125.9 | 121.7 | 171.6 | -73.6 | -175.3 | -15.4 | 0 | 0 | 109.7 | ||||
| 521 | A | 47.5 | Very low | 46.1 | Very low | 92 Ų | 92 | 110.4 Ų | 110.4 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | trans | -83.6 | 141.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 522 | P | 46.1 | Very low | 46.4 | Very low | 118 Ų | 118 | 115.7 Ų | 115.7 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | trans | -65.4 | 144.1 | 175 | 27.9 | -34.3 | 0 | 0 | 0 | 110.9 | G524 | P522-G524 PolarHBondContact O-N 3.04Å; P522-G524 VanDerWaalsContact O-N 3.14Å | ||
| 523 | P | 45.2 | Very low | 46.8 | Very low | 142 Ų | 142 | 118 Ų | 118 | 92% | 0.922 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -69.4 | 111.6 | -179.7 | 27.9 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 524 | G | 55.4 | Low | 47.2 | Very low | 56 Ų | 56 | 118.2 Ų | 118.2 | 58% | 0.577 | 72% | 0.72 | S | S | * | * | trans | -155.5 | 167.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P522 | P522-G524 PolarHBondContact O-N 3.04Å; P522-G524 VanDerWaalsContact O-N 3.14Å | ||
| 525 | P | 52.6 | Low | 47.4 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | trans | -63.2 | 140.9 | 179.2 | 27.1 | -34.3 | 0 | 0 | 0 | 111 | N527 | P525-N527 PolarHBondContact O-N 3.23Š| ||
| 526 | P | 49.4 | Very low | 47.7 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -70.3 | 106.7 | -176 | 27.8 | -34.2 | 0 | 0 | 0 | 110.8 | P528 | P526-P528 VanDerWaalsContact O-CD 3.27Å; P526-P528 WeakPolarHBondContact O-CD 3.33Å | ||
| 527 | N | 51.3 | Low | 47.6 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | trans | -73 | 114.2 | 173.1 | -85.7 | -25.7 | 0 | 0 | 0 | 110.5 | P525 G529 | P525-N527 PolarHBondContact O-N 3.23Å; N527-G529 VanDerWaalsContact C-N 3.32Å; N527-G529 PolarHBondContact O-N 3.38Å | ||
| 528 | P | 48.4 | Very low | 47.8 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 78.4 | -178.5 | 33.6 | -34.5 | 0 | 0 | 0 | 110.6 | P526 | P526-P528 VanDerWaalsContact O-CD 3.27Å; P526-P528 WeakPolarHBondContact O-CD 3.33Å |
| 529 | G | 49.1 | Very low | 47.9 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.3 | -30.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | N527 | N527-G529 VanDerWaalsContact C-N 3.32Å; N527-G529 PolarHBondContact O-N 3.38Å |
| 530 | L | 47.4 | Very low | 47.7 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -109.2 | 61.3 | -178.4 | -93.3 | 75.3 | 0 | 0 | 0 | 112.6 | F495 Q532 | F495-L530 HydrophobicContact CE1-CD2 4.45Å; F495-L530 HydrophobicContact CE2-CD2 4.16Å; F495-L530 HydrophobicContact CZ-CD2 4.06Å; L530-Q532 PolarHBondContact O-N 2.02Å | ||
| 531 | G | 45.3 | Very low | 48 | Very low | 84 Ų | 84 | 124 Ų | 124 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | trans | -78.3 | 45.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 532 | Q | 47.8 | Very low | 47.8 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -94.3 | 97.6 | 179.3 | -67.4 | -168.2 | 8 | 0 | 0 | 110.6 | L530 | L530-Q532 PolarHBondContact O-N 2.02Š| ||
| 533 | G | 48.9 | Very low | 48 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -67.7 | 149.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 534 | F | 49 | Very low | 48.5 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 55% | 0.548 | 72% | 0.721 | S | S | . | * | trans | -85.2 | 149.5 | 174.5 | 50.4 | -92.5 | 0 | 0 | 0 | 111 | F519 L536 | F519-F534 AromaticContact CD1-CE1 3.86Å; F519-F534 HydrophobicContact CD1-CE1 3.86Å; F519-F534 AromaticContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD2-CE1 4.4Å; F519-F534 AromaticContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CE1-CD1 4.38Å; F519-F534 AromaticContact CE1-CE1 3.76Å; F519-F534 HydrophobicContact CE1-CE1 3.76Å; F519-F534 AromaticContact CE1-CE2 3.98Å; F519-F534 HydrophobicContact CE1-CE2 3.98Å; F519-F534 AromaticContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE2-CE1 4.33Å; F519-F534 AromaticContact CE2-CE2 3.8Å; F519-F534 HydrophobicContact CE2-CE2 3.8Å; F519-F534 AromaticContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CE2-CZ 3.4Å; F519-F534 VanDerWaalsContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CG-CE1 4.18Å; F519-F534 AromaticContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CZ-CD2 4.3Å; F519-F534 HydrophobicContact CZ-CE1 4.02Å; F519-F534 AromaticContact CZ-CE2 3.45Å; F519-F534 HydrophobicContact CZ-CE2 3.45Å; F519-F534 VanDerWaalsContact CZ-CE2 3.45Å; F519-F534 AromaticContact CZ-CZ 3.29Å; F519-F534 HydrophobicContact CZ-CZ 3.29Å; F534-L536 HydrophobicContact CD2-CD2 4.17Å; F534-L536 HydrophobicContact CD2-CG 4.05Å; F534-L536 HydrophobicContact CE2-CD1 4.28Å; F534-L536 HydrophobicContact CE2-CD2 4.47Å; F534-L536 HydrophobicContact CE2-CG 4.19Å | ||
| 535 | V | 42.8 | Very low | 48.7 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | -107.8 | 117.5 | 175 | 179.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 536 | L | 50.2 | Low | 49.2 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -85.2 | 115.7 | 175.1 | -64.3 | 174.8 | 0 | 0 | 0 | 109.8 | L517 F534 | L517-L536 HydrophobicContact CD1-CD1 3.77Å; L517-L536 HydrophobicContact CD1-CD2 4.19Å; F534-L536 HydrophobicContact CD2-CD2 4.17Å; F534-L536 HydrophobicContact CD2-CG 4.05Å; F534-L536 HydrophobicContact CE2-CD1 4.28Å; F534-L536 HydrophobicContact CE2-CD2 4.47Å; F534-L536 HydrophobicContact CE2-CG 4.19Å | ||
| 537 | H | 43.2 | Very low | 50.3 | Low | 161 Ų | 161 | 116.9 Ų | 116.9 | 75% | 0.745 | 65% | 0.645 | S | S | * | * | trans | -98.2 | 96.6 | 169.8 | -70.1 | -76.6 | 0 | 0 | 0 | 109.5 | ||||
| 538 | F | 52.1 | Low | 51.7 | Low | 193 Ų | 193 | 113.9 Ų | 113.9 | 85% | 0.846 | 63% | 0.633 | S | S | * | * | trans | -90 | 152.3 | 166.4 | 66.3 | -82.7 | 0 | 0 | 0 | 110.3 | ||||
| 539 | K | 43.3 | Very low | 53.1 | Low | 175 Ų | 175 | 114.1 Ų | 114.1 | 76% | 0.761 | 62% | 0.622 | S | S | * | * | trans | -146.3 | 129.6 | 167.6 | -173.8 | -164.2 | 167.3 | -177.8 | 0 | 107.1 | V541 | K539-V541 PolarHBondContact O-N 3.31Š| ||
| 540 | E | 44.8 | Very low | 54.7 | Low | 176 Ų | 176 | 112.3 Ų | 112.3 | 82% | 0.822 | 60% | 0.597 | S | S | * | * | trans | -62 | 126.8 | 168 | -170.2 | 173.4 | -165.3 | 0 | 0 | 109.6 | ||||
| 541 | V | 47.4 | Very low | 56.4 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | trans | -108.1 | 122.6 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 106 | K539 R543 | K539-V541 PolarHBondContact O-N 3.31Å; V541-R543 PolarHBondContact O-N 2.94Å | ||
| 542 | P | 43.5 | Very low | 58.3 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | trans | -58.7 | 138.8 | 177.6 | 25.7 | -34.1 | 0 | 0 | 0 | 109.4 | N544 | P542-N544 PolarHBondContact O-N 3.04Š| ||
| 543 | R | 50.7 | Low | 60.3 | Low | 185 Ų | 185 | 102.3 Ų | 102.3 | 70% | 0.698 | 54% | 0.539 | S | S | * | . | trans | -64.7 | 108.9 | -176.8 | -65.9 | -168.5 | 177.1 | -155 | -4 | 110.5 | V541 D545 | V541-R543 PolarHBondContact O-N 2.94Å; R543-D545 WeakPolarHBondContact CB-OD2 3.07Å; R543-D545 WeakPolarHBondContact CD-OD2 3.02Å; R543-D545 IonicContact NH1-OD2 3.94Å; R543-D545 PolarHBondContact O-N 3.35Å; R543-D545 VanDerWaalsContact O-N 3.08Å | ||
| 544 | N | 56.4 | Low | 62 | Low | 114 Ų | 114 | 106.7 Ų | 106.7 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | trans | -81.6 | 71.4 | 162.2 | -165.7 | 96.7 | 0 | 0 | 0 | 108.4 | P542 T546 L593 | P542-N544 PolarHBondContact O-N 3.04Å; N544-T546 PolarHBondContact ND2-O 3.41Å; N544-T546 VanDerWaalsContact ND2-O 3.08Å; N544-T546 PolarHBondContact ND2-OG1 2.9Å; N544-T546 PolarHBondContact O-N 3.11Å; N544-T546 PolarHBondContact OD1-OG1 3.49Å; N544-L593 WeakPolarHBondContact O-CD1 3.46Å | ||
| 545 | D | 59.9 | Low | 63.8 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 27% | 0.267 | 54% | 0.541 | S | S | . | . | trans | -73.7 | 15 | 178 | -80 | -39.7 | 0 | 0 | 0 | 113 | R543 I566 R567 L593 | R543-D545 WeakPolarHBondContact CB-OD2 3.07Å; R543-D545 WeakPolarHBondContact CD-OD2 3.02Å; R543-D545 IonicContact NH1-OD2 3.94Å; R543-D545 PolarHBondContact O-N 3.35Å; R543-D545 VanDerWaalsContact O-N 3.08Å; D545-I566 WeakPolarHBondContact O-CA 3.07Å; D545-R567 PolarHBondContact O-N 3.45Å; D545-R567 IonicContact OD1-CZ 3.2Å; D545-R567 IonicContact OD1-NH1 3.61Å; D545-R567 PolarHBondContact OD1-NH1 2.81Å; D545-L593 WeakPolarHBondContact O-CD2 3.33Å | ||
| 546 | T | 61.8 | Low | 65.8 | Low | 39 Ų | 39 | 102.7 Ų | 102.7 | 24% | 0.239 | 52% | 0.515 | C | S | . | . | B | Isolated β-bridge | trans | -99.5 | 139.2 | 177.1 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | N544 D564 L565 I566 | N544-T546 PolarHBondContact ND2-O 3.41Å; N544-T546 VanDerWaalsContact ND2-O 3.08Å; N544-T546 PolarHBondContact ND2-OG1 2.9Å; N544-T546 PolarHBondContact O-N 3.11Å; N544-T546 PolarHBondContact OD1-OG1 3.49Å; T546-D564 HydrophobicContact CG2-CB 4.49Å; T546-L565 CarbonylContact C-O 3.47Å; T546-L565 VanDerWaalsContact CA-O 3.24Å; T546-L565 WeakPolarHBondContact CA-O 3.24Å; T546-I566 HydrophobicContact CG2-CG2 3.77Å |
| 547 | C | 73.8 | Confident | 67.5 | Low | 4 Ų | 4 | 102.9 Ų | 102.9 | 3% | 0.027 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 156.6 | 164.5 | -81.2 | 0 | 0 | 0 | 0 | 111.6 | L565 C589 L593 S594 W595 | C547-L565 PolarHBondContact N-O 2.94Å; C547-C589 HydrophobicContact CB-CB 3.86Å; C547-C589 WeakPolarHBondContact CB-SG 3.47Å; C547-C589 WeakPolarHBondContact SG-CA 3.45Å; C547-C589 WeakPolarHBondContact SG-CB 3.42Å; C547-C589 CovalentContact SG-SG 2.02Å; C547-C589 PolarHBondContact SG-SG 3.38Å; C547-L593 PolarHBondContact SG-O 3.26Å; C547-L593 VanDerWaalsContact SG-O 3.38Å; C547-S594 PolarHBondContact SG-O 2.83Å; C547-W595 HydrophobicContact CB-CD2 4.39Å; C547-W595 HydrophobicContact CB-CH2 4.33Å; C547-W595 HydrophobicContact CB-CZ2 3.56Å |
| 548 | P | 80 | Confident | 69.7 | Low | 82 Ų | 82 | 98.2 Ų | 98.2 | 53% | 0.532 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 140.3 | 176.2 | 26.8 | -35 | 0 | 0 | 0 | 111.2 | L550 L593 W595 | P548-L550 PolarHBondContact O-N 2.97Å; P548-L593 VanDerWaalsContact CD-O 3.24Å; P548-L593 WeakPolarHBondContact CD-O 3.45Å; P548-W595 PolarHBondContact O-NE1 2.87Å |
| 549 | E | 78.3 | Confident | 71.3 | Confident | 142 Ų | 142 | 92.3 Ų | 92.3 | 66% | 0.664 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 119.7 | 179.2 | -179 | 161.6 | -137.6 | 0 | 0 | 111.8 | R558 L565 | E549-R558 IonicContact OE1-CZ 3.84Å; E549-R558 IonicContact OE1-NH1 2.68Å; E549-R558 IonicContact OE1-NH2 3.56Å; E549-R558 PolarHBondContact OE1-NH2 3.41Å; E549-L565 HydrophobicContact CB-CD1 3.86Å; E549-L565 HydrophobicContact CG-CD1 4.01Å |
| 550 | L | 82.8 | Confident | 72.8 | Confident | 26 Ų | 26 | 86.3 Ų | 86.3 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 139.1 | 170.6 | -61.7 | 179.3 | 0 | 0 | 0 | 110.1 | P548 R558 L571 Y573 L587 W595 P599 | P548-L550 PolarHBondContact O-N 2.97Å; L550-R558 WeakPolarHBondContact O-CD 3.3Å; L550-R558 PolarHBondContact O-NE 3.5Å; L550-R558 PolarHBondContact O-NH1 3.08Å; L550-R558 VanDerWaalsContact O-NH1 3.11Å; L550-L571 HydrophobicContact CB-CD1 4.44Å; L550-L571 HydrophobicContact CD1-CD1 4.34Å; L550-Y573 VanDerWaalsContact CB-OH 3.24Å; L550-Y573 WeakPolarHBondContact CB-OH 3.34Å; L550-L587 HydrophobicContact CD1-CD2 3.46Å; L550-L587 VanDerWaalsContact CD1-CD2 3.46Å; L550-W595 HydrophobicContact CD1-CB 4.29Å; L550-W595 HydrophobicContact CD1-CD2 3.95Å; L550-W595 HydrophobicContact CD1-CG 3.66Å; L550-W595 HydrophobicContact CG-CG 4.29Å; L550-P599 HydrophobicContact CD1-CB 4.29Å; L550-P599 HydrophobicContact CD2-CG 4.28Å |
| 551 | P | 83.3 | Confident | 73.6 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 161.4 | 173.9 | 30.4 | -35.7 | 0 | 0 | 0 | 111.8 | Y573 | P551-Y573 PolarHBondContact O-OH 2.84Š|
| 552 | P | 85.3 | Confident | 74.2 | Confident | 71 Ų | 71 | 81 Ų | 81 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -63 | 157 | 158.1 | 31.4 | -35 | 0 | 0 | 0 | 110.2 | R558 | P552-R558 HydrophobicContact CB-CG 4.33Š|
| 553 | P | 87.9 | Confident | 75.1 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 10% | 0.104 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 154.2 | 175.4 | 34.5 | -32.6 | 0 | 0 | 0 | 110.2 | W555 G556 Y573 | P553-W555 PolarHBondContact O-N 3.26Å; P553-G556 PolarHBondContact O-N 3.02Å; P553-Y573 HydrophobicContact CG-CD1 4Å |
| 554 | E | 86.1 | Confident | 75.5 | Confident | 163 Ų | 163 | 76.7 Ų | 76.7 | 76% | 0.762 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 135.7 | 166.9 | -64.7 | -169.3 | 168.1 | 0 | 0 | 109.4 | G556 C602 | E554-G556 VanDerWaalsContact C-N 3.34Å; E554-G556 PolarHBondContact O-N 2.78Å; E554-C602 WeakPolarHBondContact O-CB 3.39Å |
| 555 | W | 85.5 | Confident | 76.1 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 40.7 | -175.2 | -44 | 96 | 0 | 0 | 0 | 113.7 | P553 E576 Y579 | P553-W555 PolarHBondContact O-N 3.26Å; W555-E576 WeakPolarHBondContact O-CB 3.29Å; W555-E576 PolarHBondContact O-N 3.07Å; W555-Y579 HydrophobicContact CB-CD1 3.84Å; W555-Y579 HydrophobicContact CB-CD2 3.91Å; W555-Y579 HydrophobicContact CB-CE1 3.66Å; W555-Y579 HydrophobicContact CB-CE2 3.71Å; W555-Y579 HydrophobicContact CB-CG 3.99Å; W555-Y579 AromaticContact CD1-CE1 3.8Å; W555-Y579 HydrophobicContact CD2-CE1 4.36Å; W555-Y579 HydrophobicContact CD2-CE2 4.29Å; W555-Y579 AromaticContact CD2-CZ 3.78Å; W555-Y579 HydrophobicContact CE3-CE2 4.36Å; W555-Y579 HydrophobicContact CG-CD1 4.29Å; W555-Y579 AromaticContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE2 4.02Å; W555-Y579 AromaticContact CG-CZ 3.47Å; W555-Y579 VanDerWaalsContact CG-CZ 3.47Å |
| 556 | G | 86.3 | Confident | 76.5 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | -173.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P553 E554 Q574 | P553-G556 PolarHBondContact O-N 3.02Å; E554-G556 VanDerWaalsContact C-N 3.34Å; E554-G556 PolarHBondContact O-N 2.78Å; G556-Q574 CarbonylContact C-O 3.53Å; G556-Q574 WeakPolarHBondContact CA-O 3.42Å |
| 557 | W | 85.6 | Confident | 76.8 | Confident | 107 Ų | 107 | 76.8 Ų | 76.8 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 163 | 177.8 | 61.3 | 92.7 | 0 | 0 | 0 | 111.2 | Q574 E576 | W557-Q574 HydrophobicContact CD2-CB 4.22Å; W557-Q574 HydrophobicContact CH2-CB 4.34Å; W557-Q574 HydrophobicContact CZ2-CB 3.65Å; W557-Q574 VanDerWaalsContact CZ2-OE1 3.32Å; W557-Q574 PolarHBondContact N-O 3.08Å; W557-Q574 PolarHBondContact O-N 3.33Å; W557-E576 HydrophobicContact CZ3-CG 4.18Å |
| 558 | R | 88.1 | Confident | 76.2 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 24% | 0.238 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.8 | 165.5 | 67.6 | 178 | 179.5 | 132.1 | 3.5 | 109.2 | E549 L550 P552 T572 Y573 | E549-R558 IonicContact OE1-CZ 3.84Å; E549-R558 IonicContact OE1-NH1 2.68Å; E549-R558 IonicContact OE1-NH2 3.56Å; E549-R558 PolarHBondContact OE1-NH2 3.41Å; L550-R558 WeakPolarHBondContact O-CD 3.3Å; L550-R558 PolarHBondContact O-NE 3.5Å; L550-R558 PolarHBondContact O-NH1 3.08Å; L550-R558 VanDerWaalsContact O-NH1 3.11Å; P552-R558 HydrophobicContact CB-CG 4.33Å; R558-T572 CarbonylContact C-O 3.56Å; R558-T572 VanDerWaalsContact CA-O 3.27Å; R558-T572 WeakPolarHBondContact CA-O 3.5Å; R558-Y573 HydrophobicContact CB-CD1 4.18Å; R558-Y573 HydrophobicContact CB-CD2 4.44Å; R558-Y573 HydrophobicContact CB-CE1 3.97Å; R558-Y573 HydrophobicContact CB-CE2 4.23Å; R558-Y573 HydrophobicContact CB-CG 4.39Å |
| 559 | T | 85.7 | Confident | 75.4 | Confident | 70 Ų | 70 | 75 Ų | 75 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.3 | 163.9 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | L571 T572 | T559-L571 CarbonylContact O-C 3.57Å; T559-L571 WeakPolarHBondContact O-CA 3.37Å; T559-T572 PolarHBondContact N-O 3.29Å; T559-T572 PolarHBondContact O-N 3.33Å |
| 560 | A | 76.2 | Confident | 75.5 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | H562 L565 T569 L571 | A560-H562 VanDerWaalsContact CB-O 3.24Å; A560-H562 WeakPolarHBondContact CB-O 3.17Å; A560-H562 PolarHBondContact O-N 2.81Å; A560-L565 HydrophobicContact CB-CD2 4.42Å; A560-T569 HydrophobicContact CB-CG2 4.49Å; A560-L571 HydrophobicContact CB-CD2 3.67Å |
| 561 | S | 61.6 | Low | 75.4 | Confident | 67 Ų | 67 | 69 Ų | 69 | 47% | 0.469 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -65 | -23.6 | 173.2 | 49 | 0 | 0 | 0 | 0 | 113.5 | V570 | S561-V570 PolarHBondContact N-O 3.25Å; S561-V570 PolarHBondContact OG-N 3.13Å; S561-V570 PolarHBondContact OG-O 2.92Å |
| 562 | H | 59.4 | Low | 75.5 | Confident | 104 Ų | 104 | 67 Ų | 67 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -137.9 | 150.7 | 177.9 | -62.1 | 82.5 | 0 | 0 | 0 | 109.6 | A560 D564 T569 | A560-H562 VanDerWaalsContact CB-O 3.24Å; A560-H562 WeakPolarHBondContact CB-O 3.17Å; A560-H562 PolarHBondContact O-N 2.81Å; H562-D564 VanDerWaalsContact C-N 3.33Å; H562-D564 PolarHBondContact O-N 3.14Å; H562-T569 HydrophobicContact CB-CG2 4.25Å |
| 563 | G | 62.1 | Low | 75.6 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 89% | 0.887 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -65.5 | -35 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 564 | D | 60.1 | Low | 75.5 | Confident | 117 Ų | 117 | 67.5 Ų | 67.5 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -94.9 | 139.7 | 171.4 | -62.9 | -62.6 | 0 | 0 | 0 | 110.9 | T546 H562 I566 T569 | T546-D564 HydrophobicContact CG2-CB 4.49Å; H562-D564 VanDerWaalsContact C-N 3.33Å; H562-D564 PolarHBondContact O-N 3.14Å; D564-I566 HydrophobicContact CB-CG2 4.02Å; D564-I566 PolarHBondContact O-N 3.41Å; D564-T569 PolarHBondContact O-OG1 2.9Å; D564-T569 VanDerWaalsContact O-OG1 3.04Å |
| 565 | L | 69.1 | Low | 75.7 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | trans | -80.4 | 44 | -176.9 | -57.9 | 179.5 | 0 | 0 | 0 | 112.8 | T546 C547 E549 A560 T569 L571 W595 | T546-L565 CarbonylContact C-O 3.47Å; T546-L565 VanDerWaalsContact CA-O 3.24Å; T546-L565 WeakPolarHBondContact CA-O 3.24Å; C547-L565 PolarHBondContact N-O 2.94Å; E549-L565 HydrophobicContact CB-CD1 3.86Å; E549-L565 HydrophobicContact CG-CD1 4.01Å; A560-L565 HydrophobicContact CB-CD2 4.42Å; L565-T569 HydrophobicContact CD2-CG2 4.24Å; L565-L571 HydrophobicContact CD2-CD2 4.03Å; L565-W595 HydrophobicContact CB-CZ2 4.31Å; L565-W595 HydrophobicContact CD1-CZ2 4.42Å; L565-W595 HydrophobicContact CD2-CH2 4.37Å; L565-W595 HydrophobicContact CD2-CZ2 4.48Å | ||
| 566 | I | 67.9 | Low | 75.7 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -69 | 167.6 | -177.4 | 58.3 | 172.7 | 0 | 0 | 0 | 113.6 | D545 T546 D564 G568 T569 C589 | D545-I566 WeakPolarHBondContact O-CA 3.07Å; T546-I566 HydrophobicContact CG2-CG2 3.77Å; D564-I566 HydrophobicContact CB-CG2 4.02Å; D564-I566 PolarHBondContact O-N 3.41Å; I566-G568 PolarHBondContact O-N 2.72Å; I566-T569 WeakPolarHBondContact CG1-OG1 3.16Å; I566-T569 PolarHBondContact N-OG1 3.02Å; I566-T569 WeakPolarHBondContact O-CB 3.4Å; I566-T569 PolarHBondContact O-N 2.71Å; I566-T569 PolarHBondContact O-OG1 2.83Å; I566-T569 VanDerWaalsContact O-OG1 3.11Å; I566-C589 VanDerWaalsContact C-SG 3.58Å; I566-C589 WeakPolarHBondContact O-CB 3.24Å; I566-C589 PolarHBondContact O-SG 3.45Å |
| 567 | R | 67 | Low | 75.4 | Confident | 114 Ų | 114 | 62 Ų | 62 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 133.1 | 170.8 | -70.6 | -172 | 176.9 | 94.2 | 4.9 | 111.6 | D545 T569 W591 L593 | D545-R567 PolarHBondContact O-N 3.45Å; D545-R567 IonicContact OD1-CZ 3.2Å; D545-R567 IonicContact OD1-NH1 3.61Å; D545-R567 PolarHBondContact OD1-NH1 2.81Å; R567-T569 PolarHBondContact O-N 3.34Å; R567-W591 PolarHBondContact NE-O 3.44Å; R567-W591 PolarHBondContact NH2-O 3.05Å; R567-L593 HydrophobicContact CG-CD2 3.58Å |
| 568 | G | 62.5 | Low | 74.9 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -10 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | I566 V570 C589 | I566-G568 PolarHBondContact O-N 2.72Å; G568-V570 PolarHBondContact O-N 3.37Å; G568-V570 VanDerWaalsContact O-N 3.1Å; G568-C589 PolarHBondContact N-O 3.09Å |
| 569 | T | 63.4 | Low | 74.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 117.3 | 170.7 | -66 | 0 | 0 | 0 | 0 | 109.4 | A560 H562 D564 L565 I566 R567 C589 W595 | A560-T569 HydrophobicContact CB-CG2 4.49Å; H562-T569 HydrophobicContact CB-CG2 4.25Å; D564-T569 PolarHBondContact O-OG1 2.9Å; D564-T569 VanDerWaalsContact O-OG1 3.04Å; L565-T569 HydrophobicContact CD2-CG2 4.24Å; I566-T569 WeakPolarHBondContact CG1-OG1 3.16Å; I566-T569 PolarHBondContact N-OG1 3.02Å; I566-T569 WeakPolarHBondContact O-CB 3.4Å; I566-T569 PolarHBondContact O-N 2.71Å; I566-T569 PolarHBondContact O-OG1 2.83Å; I566-T569 VanDerWaalsContact O-OG1 3.11Å; R567-T569 PolarHBondContact O-N 3.34Å; T569-C589 WeakPolarHBondContact O-CB 3.28Å; T569-C589 PolarHBondContact O-N 3.34Å; T569-W595 WeakPolarHBondContact O-CZ3 3.49Å |
| 570 | V | 80.4 | Confident | 74.6 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132.7 | 169 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | S561 G568 I586 L587 T588 | S561-V570 PolarHBondContact N-O 3.25Å; S561-V570 PolarHBondContact OG-N 3.13Å; S561-V570 PolarHBondContact OG-O 2.92Å; G568-V570 PolarHBondContact O-N 3.37Å; G568-V570 VanDerWaalsContact O-N 3.1Å; V570-I586 HydrophobicContact CG1-CG2 3.5Å; V570-L587 CarbonylContact C-O 3.58Å; V570-L587 WeakPolarHBondContact CA-O 3.35Å; V570-T588 HydrophobicContact CG2-CG2 4.28Å |
| 571 | L | 80.8 | Confident | 75 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.1 | 162.4 | -71.3 | 175.8 | 0 | 0 | 0 | 109.2 | L550 T559 A560 L565 Y573 L587 W595 | L550-L571 HydrophobicContact CB-CD1 4.44Å; L550-L571 HydrophobicContact CD1-CD1 4.34Å; T559-L571 CarbonylContact O-C 3.57Å; T559-L571 WeakPolarHBondContact O-CA 3.37Å; A560-L571 HydrophobicContact CB-CD2 3.67Å; L565-L571 HydrophobicContact CD2-CD2 4.03Å; L571-Y573 HydrophobicContact CB-CD2 4.35Å; L571-Y573 HydrophobicContact CB-CE2 3.9Å; L571-Y573 HydrophobicContact CD1-CE2 4.13Å; L571-L587 HydrophobicContact CB-CB 4.36Å; L571-L587 PolarHBondContact N-O 3.19Å; L571-L587 PolarHBondContact O-N 3.1Å; L571-W595 HydrophobicContact CB-CZ3 4.22Å; L571-W595 HydrophobicContact CD1-CD2 4.44Å; L571-W595 HydrophobicContact CD1-CE3 4.22Å; L571-W595 HydrophobicContact CD1-CH2 3.42Å; L571-W595 VanDerWaalsContact CD1-CH2 3.42Å; L571-W595 HydrophobicContact CD1-CZ2 3.64Å; L571-W595 HydrophobicContact CD1-CZ3 3.71Å; L571-W595 HydrophobicContact CG-CH2 3.54Å; L571-W595 HydrophobicContact CG-CZ2 4.26Å; L571-W595 HydrophobicContact CG-CZ3 3.7Å |
| 572 | T | 84.6 | Confident | 76.2 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.6 | 169.4 | -53 | 0 | 0 | 0 | 0 | 108.9 | R558 T559 D585 | R558-T572 CarbonylContact C-O 3.56Å; R558-T572 VanDerWaalsContact CA-O 3.27Å; R558-T572 WeakPolarHBondContact CA-O 3.5Å; T559-T572 PolarHBondContact N-O 3.29Å; T559-T572 PolarHBondContact O-N 3.33Å; T572-D585 CarbonylContact C-O 3.58Å; T572-D585 WeakPolarHBondContact CA-O 3.32Å |
| 573 | Y | 86.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.5 | 179.7 | -80.5 | -101.7 | 0 | 0 | 0 | 110.3 | L550 P551 P553 R558 L571 L581 D585 L587 P599 P600 | L550-Y573 VanDerWaalsContact CB-OH 3.24Å; L550-Y573 WeakPolarHBondContact CB-OH 3.34Å; P551-Y573 PolarHBondContact O-OH 2.84Å; P553-Y573 HydrophobicContact CG-CD1 4Å; R558-Y573 HydrophobicContact CB-CD1 4.18Å; R558-Y573 HydrophobicContact CB-CD2 4.44Å; R558-Y573 HydrophobicContact CB-CE1 3.97Å; R558-Y573 HydrophobicContact CB-CE2 4.23Å; R558-Y573 HydrophobicContact CB-CG 4.39Å; L571-Y573 HydrophobicContact CB-CD2 4.35Å; L571-Y573 HydrophobicContact CB-CE2 3.9Å; L571-Y573 HydrophobicContact CD1-CE2 4.13Å; Y573-L581 WeakPolarHBondContact O-CD1 3.44Å; Y573-D585 PolarHBondContact N-O 3.27Å; Y573-L587 HydrophobicContact CD2-CD1 4.27Å; Y573-L587 HydrophobicContact CE2-CD1 4.44Å; Y573-L587 HydrophobicContact CE2-CD2 4.22Å; Y573-P599 HydrophobicContact CE1-CB 4.39Å; Y573-P600 HydrophobicContact CD1-CG 3.67Å; Y573-P600 HydrophobicContact CD2-CG 4.25Å; Y573-P600 HydrophobicContact CE1-CG 4.49Å; Y573-P600 HydrophobicContact CG-CG 3.55Å |
| 574 | Q | 87.2 | Confident | 77.9 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.1 | 179.2 | -71.2 | 178.1 | -16.9 | 0 | 0 | 110.1 | G556 W557 | G556-Q574 CarbonylContact C-O 3.53Å; G556-Q574 WeakPolarHBondContact CA-O 3.42Å; W557-Q574 HydrophobicContact CD2-CB 4.22Å; W557-Q574 HydrophobicContact CH2-CB 4.34Å; W557-Q574 HydrophobicContact CZ2-CB 3.65Å; W557-Q574 VanDerWaalsContact CZ2-OE1 3.32Å; W557-Q574 PolarHBondContact N-O 3.08Å; W557-Q574 PolarHBondContact O-N 3.33Å |
| 575 | C | 88.8 | Confident | 78.9 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 155.8 | -178.2 | -60.1 | 0 | 0 | 0 | 0 | 112 | C602 | C575-C602 VanDerWaalsContact CA-SG 3.5Å; C575-C602 HydrophobicContact CB-CB 3.75Å; C575-C602 WeakPolarHBondContact CB-SG 3.27Å; C575-C602 VanDerWaalsContact SG-CA 3.53Å; C575-C602 WeakPolarHBondContact SG-CB 3.49Å; C575-C602 CovalentContact SG-SG 2.04Å; C575-C602 PolarHBondContact SG-SG 2.96Å |
| 576 | E | 86.3 | Confident | 79.5 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | trans | -65.8 | 153.3 | 176.8 | -75.1 | -178.7 | -174.7 | 0 | 0 | 112.7 | W555 W557 G578 Y579 | W555-E576 WeakPolarHBondContact O-CB 3.29Å; W555-E576 PolarHBondContact O-N 3.07Å; W557-E576 HydrophobicContact CZ3-CG 4.18Å; E576-G578 PolarHBondContact O-N 2.89Å; E576-Y579 HydrophobicContact CB-CD2 4.09Å; E576-Y579 PolarHBondContact O-N 3.5Å | ||
| 577 | P | 80.6 | Confident | 80 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 111.8 | 178.4 | -26.8 | 35.7 | 0 | 0 | 0 | 112.9 | ||
| 578 | G | 73.6 | Confident | 80.5 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 112.2 | -1.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E576 I605 | E576-G578 PolarHBondContact O-N 2.89Å; G578-I605 WeakPolarHBondContact O-CB 3.29Å; G578-I605 PolarHBondContact O-N 3.33Å |
| 579 | Y | 84.6 | Confident | 81.2 | Confident | 50 Ų | 50 | 47 Ų | 47 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.1 | 173.7 | -64.2 | -101.1 | 0 | 0 | 0 | 111.2 | W555 E576 C602 Q603 K604 | W555-Y579 HydrophobicContact CB-CD1 3.84Å; W555-Y579 HydrophobicContact CB-CD2 3.91Å; W555-Y579 HydrophobicContact CB-CE1 3.66Å; W555-Y579 HydrophobicContact CB-CE2 3.71Å; W555-Y579 HydrophobicContact CB-CG 3.99Å; W555-Y579 AromaticContact CD1-CE1 3.8Å; W555-Y579 HydrophobicContact CD2-CE1 4.36Å; W555-Y579 HydrophobicContact CD2-CE2 4.29Å; W555-Y579 AromaticContact CD2-CZ 3.78Å; W555-Y579 HydrophobicContact CE3-CE2 4.36Å; W555-Y579 HydrophobicContact CG-CD1 4.29Å; W555-Y579 AromaticContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE2 4.02Å; W555-Y579 AromaticContact CG-CZ 3.47Å; W555-Y579 VanDerWaalsContact CG-CZ 3.47Å; E576-Y579 HydrophobicContact CB-CD2 4.09Å; E576-Y579 PolarHBondContact O-N 3.5Å; Y579-C602 HydrophobicContact CD1-CB 4.44Å; Y579-Q603 CarbonylContact C-O 3.48Å; Y579-Q603 WeakPolarHBondContact CA-O 3.45Å; Y579-K604 VanDerWaalsContact CD1-CA 3.48Å; Y579-K604 HydrophobicContact CD1-CB 3.9Å; Y579-K604 HydrophobicContact CE1-CB 3.65Å; Y579-K604 HydrophobicContact CE1-CG 4.27Å |
| 580 | E | 83.1 | Confident | 81.4 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.8 | 174.3 | 58.5 | -175.3 | -172.7 | 0 | 0 | 110.5 | C602 Q603 I605 | E580-C602 CarbonylContact O-C 3.57Å; E580-C602 WeakPolarHBondContact O-CA 3.42Å; E580-Q603 HydrophobicContact CG-CB 4.34Å; E580-Q603 PolarHBondContact N-O 2.93Å; E580-Q603 PolarHBondContact O-N 2.95Å; E580-I605 HydrophobicContact CB-CD1 4Å; E580-I605 HydrophobicContact CB-CG1 3.69Å; E580-I605 HydrophobicContact CG-CG1 3.86Å |
| 581 | L | 85.9 | Confident | 80.1 | Confident | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.7 | -177 | -170.4 | 149.7 | 0 | 0 | 0 | 110.4 | Y573 D585 P600 | Y573-L581 WeakPolarHBondContact O-CD1 3.44Å; L581-D585 HydrophobicContact CD1-CB 4.24Å; L581-D585 HydrophobicContact CD2-CB 4.15Å; L581-P600 HydrophobicContact CD1-CB 4.37Å; L581-P600 HydrophobicContact CD1-CG 4.07Å; L581-P600 HydrophobicContact CD2-CB 3.56Å; L581-P600 HydrophobicContact CD2-CG 4.03Å; L581-P600 HydrophobicContact CG-CB 3.83Å; L581-P600 HydrophobicContact CG-CG 4.09Å |
| 582 | L | 85.6 | Confident | 79.3 | Confident | 82 Ų | 82 | 61 Ų | 61 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 103.1 | 177.2 | -59.7 | -176.7 | 0 | 0 | 0 | 110.1 | P600 A601 Q603 | L582-P600 WeakPolarHBondContact O-CA 3.46Å; L582-P600 WeakPolarHBondContact O-CB 3.35Å; L582-A601 PolarHBondContact N-O 3.5Å; L582-A601 PolarHBondContact O-N 3.16Å; L582-Q603 HydrophobicContact CD1-CB 3.65Å; L582-Q603 HydrophobicContact CD1-CG 4.41Å; L582-Q603 HydrophobicContact CG-CB 4.21Å |
| 583 | G | 81.1 | Confident | 78.4 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 139 | -158.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 584 | S | 77.4 | Confident | 78 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | trans | -81.8 | 128.8 | 168.7 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | I586 L587 P600 | S584-I586 VanDerWaalsContact C-N 3.31Å; S584-L587 WeakPolarHBondContact O-CD1 3.32Å; S584-P600 VanDerWaalsContact O-CG 3.29Å; S584-P600 WeakPolarHBondContact O-CG 2.92Å | ||
| 585 | D | 79.6 | Confident | 77.6 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71.4 | -27.4 | 171 | 62.5 | -31.2 | 0 | 0 | 0 | 112.3 | T572 Y573 L581 | T572-D585 CarbonylContact C-O 3.58Å; T572-D585 WeakPolarHBondContact CA-O 3.32Å; Y573-D585 PolarHBondContact N-O 3.27Å; L581-D585 HydrophobicContact CD1-CB 4.24Å; L581-D585 HydrophobicContact CD2-CB 4.15Å |
| 586 | I | 81.6 | Confident | 76.8 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 43% | 0.426 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.1 | 179.4 | -60.6 | 177.5 | 0 | 0 | 0 | 110.2 | V570 S584 | V570-I586 HydrophobicContact CG1-CG2 3.5Å; S584-I586 VanDerWaalsContact C-N 3.31Å |
| 587 | L | 79.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.7 | 174.8 | -87.8 | 70.4 | 0 | 0 | 0 | 109.7 | L550 V570 L571 Y573 S584 W595 A597 | L550-L587 HydrophobicContact CD1-CD2 3.46Å; L550-L587 VanDerWaalsContact CD1-CD2 3.46Å; V570-L587 CarbonylContact C-O 3.58Å; V570-L587 WeakPolarHBondContact CA-O 3.35Å; L571-L587 HydrophobicContact CB-CB 4.36Å; L571-L587 PolarHBondContact N-O 3.19Å; L571-L587 PolarHBondContact O-N 3.1Å; Y573-L587 HydrophobicContact CD2-CD1 4.27Å; Y573-L587 HydrophobicContact CE2-CD1 4.44Å; Y573-L587 HydrophobicContact CE2-CD2 4.22Å; S584-L587 WeakPolarHBondContact O-CD1 3.32Å; L587-W595 HydrophobicContact CB-CE3 3.96Å; L587-W595 HydrophobicContact CD2-CB 4.29Å; L587-A597 HydrophobicContact CD1-CB 4.31Å; L587-A597 WeakPolarHBondContact CD2-O 3.26Å; L587-A597 HydrophobicContact CG-CB 4.21Å |
| 588 | T | 76.4 | Confident | 76.4 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.1 | -179.4 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | V570 Q590 W595 S596 | V570-T588 HydrophobicContact CG2-CG2 4.28Å; T588-Q590 PolarHBondContact O-N 3.41Å; T588-W595 VanDerWaalsContact C-CE3 3.45Å; T588-S596 PolarHBondContact N-OG 2.04Å; T588-S596 PolarHBondContact O-N 2.8Å |
| 589 | C | 77.9 | Confident | 76.9 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 109.8 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | C547 I566 G568 T569 W595 | C547-C589 HydrophobicContact CB-CB 3.86Å; C547-C589 WeakPolarHBondContact CB-SG 3.47Å; C547-C589 WeakPolarHBondContact SG-CA 3.45Å; C547-C589 WeakPolarHBondContact SG-CB 3.42Å; C547-C589 CovalentContact SG-SG 2.02Å; C547-C589 PolarHBondContact SG-SG 3.38Å; I566-C589 VanDerWaalsContact C-SG 3.58Å; I566-C589 WeakPolarHBondContact O-CB 3.24Å; I566-C589 PolarHBondContact O-SG 3.45Å; G568-C589 PolarHBondContact N-O 3.09Å; T569-C589 WeakPolarHBondContact O-CB 3.28Å; T569-C589 PolarHBondContact O-N 3.34Å; C589-W595 HydrophobicContact CB-CE3 4.22Å; C589-W595 HydrophobicContact CB-CH2 3.87Å; C589-W595 HydrophobicContact CB-CZ2 4.41Å; C589-W595 HydrophobicContact CB-CZ3 3.79Å; C589-W595 VanDerWaalsContact N-CZ3 3.31Å |
| 590 | Q | 66.6 | Low | 77 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | trans | -80.8 | 170.7 | -172.7 | -60.8 | -170.3 | 107.4 | 0 | 0 | 112.5 | T588 D592 L593 S594 | T588-Q590 PolarHBondContact O-N 3.41Å; Q590-D592 VanDerWaalsContact CB-OD1 3.29Å; Q590-D592 WeakPolarHBondContact CB-OD1 3.35Å; Q590-D592 PolarHBondContact O-N 2.92Å; Q590-L593 PolarHBondContact O-N 2.88Å; Q590-S594 WeakPolarHBondContact CB-O 3.42Å; Q590-S594 PolarHBondContact N-O 2.81Å; Q590-S594 PolarHBondContact NE2-OG 3.34Å | ||
| 591 | W | 54.6 | Low | 77.3 | Confident | 180 Ų | 180 | 57.6 Ų | 57.6 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.3 | -178 | 62.4 | -89.6 | 0 | 0 | 0 | 113.7 | N475 R567 L593 | N475-W591 HydrophobicContact CB-CZ3 4.4Å; R567-W591 PolarHBondContact NE-O 3.44Å; R567-W591 PolarHBondContact NH2-O 3.05Å; W591-L593 VanDerWaalsContact C-N 3.3Å |
| 592 | D | 63.2 | Low | 77.5 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.3 | 176.5 | 71.5 | -19.6 | 0 | 0 | 0 | 114 | Q590 S594 | Q590-D592 VanDerWaalsContact CB-OD1 3.29Å; Q590-D592 WeakPolarHBondContact CB-OD1 3.35Å; Q590-D592 PolarHBondContact O-N 2.92Å; D592-S594 VanDerWaalsContact C-N 3.28Å; D592-S594 WeakPolarHBondContact OD1-CB 3.44Å; D592-S594 PolarHBondContact OD1-N 2.92Å; D592-S594 PolarHBondContact OD1-OG 2.97Å; D592-S594 PolarHBondContact OD2-OG 3.16Å |
| 593 | L | 66.6 | Low | 77.5 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 66 | 22.6 | -173.2 | -53 | 172.7 | 0 | 0 | 0 | 114.4 | N544 D545 C547 P548 R567 Q590 W591 | N544-L593 WeakPolarHBondContact O-CD1 3.46Å; D545-L593 WeakPolarHBondContact O-CD2 3.33Å; C547-L593 PolarHBondContact SG-O 3.26Å; C547-L593 VanDerWaalsContact SG-O 3.38Å; P548-L593 VanDerWaalsContact CD-O 3.24Å; P548-L593 WeakPolarHBondContact CD-O 3.45Å; R567-L593 HydrophobicContact CG-CD2 3.58Å; Q590-L593 PolarHBondContact O-N 2.88Å; W591-L593 VanDerWaalsContact C-N 3.3Å |
| 594 | S | 76.8 | Confident | 77.6 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | trans | -95.3 | 166.8 | 165 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | C547 Q590 D592 | C547-S594 PolarHBondContact SG-O 2.83Å; Q590-S594 WeakPolarHBondContact CB-O 3.42Å; Q590-S594 PolarHBondContact N-O 2.81Å; Q590-S594 PolarHBondContact NE2-OG 3.34Å; D592-S594 VanDerWaalsContact C-N 3.28Å; D592-S594 WeakPolarHBondContact OD1-CB 3.44Å; D592-S594 PolarHBondContact OD1-N 2.92Å; D592-S594 PolarHBondContact OD1-OG 2.97Å; D592-S594 PolarHBondContact OD2-OG 3.16Å | ||
| 595 | W | 80.4 | Confident | 77.9 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 10% | 0.095 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 143.6 | 168.7 | -66.7 | 100 | 0 | 0 | 0 | 110.7 | C547 P548 L550 L565 T569 L571 L587 T588 C589 A597 | C547-W595 HydrophobicContact CB-CD2 4.39Å; C547-W595 HydrophobicContact CB-CH2 4.33Å; C547-W595 HydrophobicContact CB-CZ2 3.56Å; P548-W595 PolarHBondContact O-NE1 2.87Å; L550-W595 HydrophobicContact CD1-CB 4.29Å; L550-W595 HydrophobicContact CD1-CD2 3.95Å; L550-W595 HydrophobicContact CD1-CG 3.66Å; L550-W595 HydrophobicContact CG-CG 4.29Å; L565-W595 HydrophobicContact CB-CZ2 4.31Å; L565-W595 HydrophobicContact CD1-CZ2 4.42Å; L565-W595 HydrophobicContact CD2-CH2 4.37Å; L565-W595 HydrophobicContact CD2-CZ2 4.48Å; T569-W595 WeakPolarHBondContact O-CZ3 3.49Å; L571-W595 HydrophobicContact CB-CZ3 4.22Å; L571-W595 HydrophobicContact CD1-CD2 4.44Å; L571-W595 HydrophobicContact CD1-CE3 4.22Å; L571-W595 HydrophobicContact CD1-CH2 3.42Å; L571-W595 VanDerWaalsContact CD1-CH2 3.42Å; L571-W595 HydrophobicContact CD1-CZ2 3.64Å; L571-W595 HydrophobicContact CD1-CZ3 3.71Å; L571-W595 HydrophobicContact CG-CH2 3.54Å; L571-W595 HydrophobicContact CG-CZ2 4.26Å; L571-W595 HydrophobicContact CG-CZ3 3.7Å; L587-W595 HydrophobicContact CB-CE3 3.96Å; L587-W595 HydrophobicContact CD2-CB 4.29Å; T588-W595 VanDerWaalsContact C-CE3 3.45Å; C589-W595 HydrophobicContact CB-CE3 4.22Å; C589-W595 HydrophobicContact CB-CH2 3.87Å; C589-W595 HydrophobicContact CB-CZ2 4.41Å; C589-W595 HydrophobicContact CB-CZ3 3.79Å; C589-W595 VanDerWaalsContact N-CZ3 3.31Å; W595-A597 WeakPolarHBondContact CB-O 3.49Å; W595-A597 PolarHBondContact O-N 2.79Å; W595-A597 VanDerWaalsContact O-N 3.11Å |
| 596 | S | 71 | Confident | 77.9 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -59.3 | -20.9 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 114.9 | T588 | T588-S596 PolarHBondContact N-OG 2.04Å; T588-S596 PolarHBondContact O-N 2.8Å |
| 597 | A | 75.2 | Confident | 78.1 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 26% | 0.256 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -148.9 | 169.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L587 W595 | L587-A597 HydrophobicContact CD1-CB 4.31Å; L587-A597 WeakPolarHBondContact CD2-O 3.26Å; L587-A597 HydrophobicContact CG-CB 4.21Å; W595-A597 WeakPolarHBondContact CB-O 3.49Å; W595-A597 PolarHBondContact O-N 2.79Å; W595-A597 VanDerWaalsContact O-N 3.11Å |
| 598 | A | 83 | Confident | 78.4 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 150.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 599 | P | 83.9 | Confident | 78.9 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 136.6 | 176.9 | 24.3 | -33.9 | 0 | 0 | 0 | 111 | L550 Y573 | L550-P599 HydrophobicContact CD1-CB 4.29Å; L550-P599 HydrophobicContact CD2-CG 4.28Å; Y573-P599 HydrophobicContact CE1-CB 4.39Å |
| 600 | P | 87.4 | Confident | 79.3 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 161 | -179.3 | 33.4 | -38.6 | 0 | 0 | 0 | 112.1 | Y573 L581 L582 S584 | Y573-P600 HydrophobicContact CD1-CG 3.67Å; Y573-P600 HydrophobicContact CD2-CG 4.25Å; Y573-P600 HydrophobicContact CE1-CG 4.49Å; Y573-P600 HydrophobicContact CG-CG 3.55Å; L581-P600 HydrophobicContact CD1-CB 4.37Å; L581-P600 HydrophobicContact CD1-CG 4.07Å; L581-P600 HydrophobicContact CD2-CB 3.56Å; L581-P600 HydrophobicContact CD2-CG 4.03Å; L581-P600 HydrophobicContact CG-CB 3.83Å; L581-P600 HydrophobicContact CG-CG 4.09Å; L582-P600 WeakPolarHBondContact O-CA 3.46Å; L582-P600 WeakPolarHBondContact O-CB 3.35Å; S584-P600 VanDerWaalsContact O-CG 3.29Å; S584-P600 WeakPolarHBondContact O-CG 2.92Å |
| 601 | A | 89.3 | Confident | 80.2 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L582 | L582-A601 PolarHBondContact N-O 3.5Å; L582-A601 PolarHBondContact O-N 3.16Å |
| 602 | C | 89.4 | Confident | 81.7 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 111.9 | 172.9 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | E554 C575 Y579 E580 | E554-C602 WeakPolarHBondContact O-CB 3.39Å; C575-C602 VanDerWaalsContact CA-SG 3.5Å; C575-C602 HydrophobicContact CB-CB 3.75Å; C575-C602 WeakPolarHBondContact CB-SG 3.27Å; C575-C602 VanDerWaalsContact SG-CA 3.53Å; C575-C602 WeakPolarHBondContact SG-CB 3.49Å; C575-C602 CovalentContact SG-SG 2.04Å; C575-C602 PolarHBondContact SG-SG 2.96Å; Y579-C602 HydrophobicContact CD1-CB 4.44Å; E580-C602 CarbonylContact O-C 3.57Å; E580-C602 WeakPolarHBondContact O-CA 3.42Å |
| 603 | Q | 85.7 | Confident | 82.8 | Confident | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.2 | 176.1 | -179.3 | 167.4 | -52.7 | 0 | 0 | 110.4 | Y579 E580 L582 I605 | Y579-Q603 CarbonylContact C-O 3.48Å; Y579-Q603 WeakPolarHBondContact CA-O 3.45Å; E580-Q603 HydrophobicContact CG-CB 4.34Å; E580-Q603 PolarHBondContact N-O 2.93Å; E580-Q603 PolarHBondContact O-N 2.95Å; L582-Q603 HydrophobicContact CD1-CB 3.65Å; L582-Q603 HydrophobicContact CD1-CG 4.41Å; L582-Q603 HydrophobicContact CG-CB 4.21Å; Q603-I605 PolarHBondContact O-N 3.32Å |
| 604 | K | 83 | Confident | 83.8 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126.5 | 177.6 | -173.8 | 166 | -178.2 | 164.8 | 0 | 110.5 | Y579 M606 | Y579-K604 VanDerWaalsContact CD1-CA 3.48Å; Y579-K604 HydrophobicContact CD1-CB 3.9Å; Y579-K604 HydrophobicContact CE1-CB 3.65Å; Y579-K604 HydrophobicContact CE1-CG 4.27Å; K604-M606 HydrophobicContact CD-SD 3.98Å; K604-M606 HydrophobicContact CG-CG 4.42Å; K604-M606 HydrophobicContact CG-SD 3.96Å; K604-M606 PolarHBondContact O-N 3.07Å |
| 605 | I | 83.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | trans | -70.6 | 112.4 | 175.2 | -61.1 | 164.1 | 0 | 0 | 0 | 107.8 | G578 E580 Q603 T607 T657 P658 | G578-I605 WeakPolarHBondContact O-CB 3.29Å; G578-I605 PolarHBondContact O-N 3.33Å; E580-I605 HydrophobicContact CB-CD1 4Å; E580-I605 HydrophobicContact CB-CG1 3.69Å; E580-I605 HydrophobicContact CG-CG1 3.86Å; Q603-I605 PolarHBondContact O-N 3.32Å; I605-T607 WeakPolarHBondContact CG2-O 3.02Å; I605-T657 HydrophobicContact CD1-CG2 3.87Å; I605-P658 HydrophobicContact CG2-CG 4.29Å; I605-P658 VanDerWaalsContact O-CD 3.28Å; I605-P658 WeakPolarHBondContact O-CD 3.39Å; I605-P658 WeakPolarHBondContact O-CG 3.44Å | ||
| 606 | M | 80.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 58 Ų | 58 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | trans | -110.9 | 13.6 | -179.8 | -66.2 | -61.6 | -62 | 0 | 0 | 112.5 | K604 P627 V628 | K604-M606 HydrophobicContact CD-SD 3.98Å; K604-M606 HydrophobicContact CG-CG 4.42Å; K604-M606 HydrophobicContact CG-SD 3.96Å; K604-M606 PolarHBondContact O-N 3.07Å; M606-P627 CarbonylContact O-C 3.57Å; M606-P627 WeakPolarHBondContact O-CA 3.42Å; M606-V628 PolarHBondContact O-N 2.81Å | ||
| 607 | T | 85.8 | Confident | 85.3 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 152.7 | -178.1 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | I605 G625 F626 P658 | I605-T607 WeakPolarHBondContact CG2-O 3.02Å; T607-G625 WeakPolarHBondContact CB-O 3.46Å; T607-G625 WeakPolarHBondContact CG2-O 3.28Å; T607-F626 CarbonylContact C-O 3.45Å; T607-F626 WeakPolarHBondContact CA-O 3.48Å; T607-P658 WeakPolarHBondContact O-CB 3.39Å; T607-P658 WeakPolarHBondContact O-CG 3.04Å |
| 608 | C | 86.4 | Confident | 86 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 147.5 | 167.6 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | F626 C650 K659 W660 | C608-F626 PolarHBondContact N-O 2.76Å; C608-C650 HydrophobicContact CB-CB 3.86Å; C608-C650 WeakPolarHBondContact CB-SG 3.49Å; C608-C650 PolarHBondContact N-SG 2.84Å; C608-C650 WeakPolarHBondContact SG-CA 3.32Å; C608-C650 WeakPolarHBondContact SG-CB 3.4Å; C608-C650 CovalentContact SG-SG 2.03Å; C608-C650 PolarHBondContact SG-SG 2.74Å; C608-K659 VanDerWaalsContact SG-C 3.5Å; C608-W660 HydrophobicContact CB-CD2 4.19Å; C608-W660 VanDerWaalsContact CB-CE2 3.49Å; C608-W660 HydrophobicContact CB-CH2 4.35Å; C608-W660 HydrophobicContact CB-CZ2 3.59Å |
| 609 | A | 85.7 | Confident | 86.3 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 149.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P611 W660 | A609-P611 WeakPolarHBondContact O-CD 3.43Å; A609-W660 PolarHBondContact O-NE1 3.37Å |
| 610 | D | 87.7 | Confident | 86.7 | Confident | 84 Ų | 84 | 58.7 Ų | 58.7 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 119.4 | 179.8 | -172.8 | -12.3 | 0 | 0 | 0 | 110.6 | G612 R619 F626 | D610-G612 PolarHBondContact O-N 3Å; D610-G612 PolarHBondContact OD1-N 2.98Å; D610-R619 VanDerWaalsContact CG-NH1 3.34Å; D610-R619 IonicContact OD1-CZ 3.53Å; D610-R619 IonicContact OD1-NH1 3.13Å; D610-R619 PolarHBondContact OD1-NH1 2.7Å; D610-R619 IonicContact OD1-NH2 2.62Å; D610-R619 IonicContact OD2-CZ 3.52Å; D610-R619 IonicContact OD2-NH1 2.89Å; D610-R619 PolarHBondContact OD2-NH1 2.75Å; D610-R619 IonicContact OD2-NH2 2.95Å; D610-R619 PolarHBondContact OD2-NH2 3.48Å; D610-R619 VanDerWaalsContact OD2-NH2 3.13Å; D610-F626 HydrophobicContact CB-CD2 4.33Å; D610-F626 HydrophobicContact CB-CE2 3.61Å; D610-F626 HydrophobicContact CB-CZ 4.28Å |
| 611 | P | 84.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | trans | -72.7 | -1.7 | 177.4 | 31 | -34.8 | 0 | 0 | 0 | 113.7 | A609 V632 Y634 L648 W660 V664 | A609-P611 WeakPolarHBondContact O-CD 3.43Å; P611-V632 HydrophobicContact CG-CB 4.31Å; P611-V632 HydrophobicContact CG-CG1 4.25Å; P611-V632 HydrophobicContact CG-CG2 4.04Å; P611-Y634 WeakPolarHBondContact CB-OH 3.41Å; P611-Y634 WeakPolarHBondContact CG-OH 3.38Å; P611-Y634 PolarHBondContact O-OH 2.98Å; P611-L648 HydrophobicContact CB-CD1 4.08Å; P611-W660 HydrophobicContact CG-CD2 4.43Å; P611-W660 HydrophobicContact CG-CZ2 3.87Å; P611-V664 HydrophobicContact CB-CG2 4.1Å; P611-V664 VanDerWaalsContact O-CG2 3.28Å; P611-V664 WeakPolarHBondContact O-CG2 3.3Å | ||
| 612 | G | 85.5 | Confident | 86.6 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | trans | 76 | -171.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | D610 R619 Y634 | D610-G612 PolarHBondContact O-N 3Å; D610-G612 PolarHBondContact OD1-N 2.98Å; G612-R619 VanDerWaalsContact C-NH1 3.35Å; G612-R619 WeakPolarHBondContact O-CD 3.24Å; G612-R619 PolarHBondContact O-NH1 3.32Å; G612-R619 VanDerWaalsContact O-NH1 3.12Å; G612-Y634 PolarHBondContact O-OH 2.91Å | ||
| 613 | E | 86.6 | Confident | 86.4 | Confident | 149 Ų | 149 | 63.1 Ų | 63.1 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | trans | -108.4 | 154.1 | -179.6 | -71.8 | -175.4 | -173.5 | 0 | 0 | 111.7 | R619 | E613-R619 VanDerWaalsContact CG-CD 3.44Å; E613-R619 HydrophobicContact CG-CG 3.95Å; E613-R619 IonicContact OE1-CZ 2.65Å; E613-R619 IonicContact OE1-NE 3.46Å; E613-R619 PolarHBondContact OE1-NE 3.46Å; E613-R619 IonicContact OE1-NH2 3.25Å | ||
| 614 | I | 88.3 | Confident | 85.9 | Confident | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | trans | -113.1 | 134.5 | -176.3 | 65.9 | 175.2 | 0 | 0 | 0 | 110.6 | G617 Y634 V664 P665 C667 | I614-G617 PolarHBondContact O-N 2.88Å; I614-Y634 HydrophobicContact CB-CD1 4.47Å; I614-Y634 HydrophobicContact CD1-CD1 3.59Å; I614-Y634 HydrophobicContact CD1-CG 4.03Å; I614-Y634 HydrophobicContact CG1-CD1 3.83Å; I614-Y634 HydrophobicContact CG1-CE1 4.37Å; I614-Y634 HydrophobicContact CG2-CD1 3.85Å; I614-Y634 HydrophobicContact CG2-CE1 3.73Å; I614-V664 HydrophobicContact CG2-CG1 3.57Å; I614-P665 WeakPolarHBondContact CG2-O 3.11Å; I614-C667 VanDerWaalsContact CD1-SG 3.55Å | ||
| 615 | A | 85.4 | Confident | 85.4 | Confident | 79 Ų | 79 | 61.6 Ų | 61.6 | 65% | 0.653 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 138.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G617 C667 | A615-G617 VanDerWaalsContact C-N 3.25Å; A615-G617 PolarHBondContact O-N 3.42Å; A615-C667 WeakPolarHBondContact O-CB 3.32Å |
| 616 | N | 86.1 | Confident | 85.6 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 28.7 | -178.6 | -47.3 | -51 | 0 | 0 | 0 | 114.9 | L637 Y640 C667 | N616-L637 WeakPolarHBondContact O-CG 3.47Å; N616-L637 PolarHBondContact O-N 3.43Å; N616-Y640 HydrophobicContact CB-CD1 3.61Å; N616-Y640 HydrophobicContact CB-CD2 4.13Å; N616-Y640 HydrophobicContact CB-CE1 3.5Å; N616-Y640 VanDerWaalsContact CB-CE1 3.5Å; N616-Y640 HydrophobicContact CB-CE2 4.06Å; N616-Y640 HydrophobicContact CB-CG 3.93Å; N616-Y640 VanDerWaalsContact CG-CE1 3.43Å; N616-Y640 VanDerWaalsContact ND2-CE1 3.31Å; N616-Y640 WeakPolarHBondContact ND2-CE1 3.21Å; N616-C667 HydrophobicContact CB-CB 4.15Å |
| 617 | G | 87.9 | Confident | 86 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | -178.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I614 A615 R635 | I614-G617 PolarHBondContact O-N 2.88Å; A615-G617 VanDerWaalsContact C-N 3.25Å; A615-G617 PolarHBondContact O-N 3.42Å; G617-R635 CarbonylContact C-O 3.57Å; G617-R635 WeakPolarHBondContact CA-O 3.39Å |
| 618 | H | 89 | Confident | 86 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 38% | 0.375 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 156.3 | 171.3 | 77.6 | 46.4 | 0 | 0 | 0 | 110.8 | Y634 R635 | H618-Y634 WeakPolarHBondContact O-CA 3.13Å; H618-R635 PolarHBondContact N-O 3.2Å; H618-R635 PolarHBondContact O-N 2.85Å; H618-R635 VanDerWaalsContact O-N 3.09Å |
| 619 | R | 90.1 | Very high | 85.9 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.8 | 167.9 | 68.9 | 176.4 | 176.9 | 168 | 2.9 | 111.8 | D610 G612 E613 V632 Q633 Y634 | D610-R619 VanDerWaalsContact CG-NH1 3.34Å; D610-R619 IonicContact OD1-CZ 3.53Å; D610-R619 IonicContact OD1-NH1 3.13Å; D610-R619 PolarHBondContact OD1-NH1 2.7Å; D610-R619 IonicContact OD1-NH2 2.62Å; D610-R619 IonicContact OD2-CZ 3.52Å; D610-R619 IonicContact OD2-NH1 2.89Å; D610-R619 PolarHBondContact OD2-NH1 2.75Å; D610-R619 IonicContact OD2-NH2 2.95Å; D610-R619 PolarHBondContact OD2-NH2 3.48Å; D610-R619 VanDerWaalsContact OD2-NH2 3.13Å; G612-R619 VanDerWaalsContact C-NH1 3.35Å; G612-R619 WeakPolarHBondContact O-CD 3.24Å; G612-R619 PolarHBondContact O-NH1 3.32Å; G612-R619 VanDerWaalsContact O-NH1 3.12Å; E613-R619 VanDerWaalsContact CG-CD 3.44Å; E613-R619 HydrophobicContact CG-CG 3.95Å; E613-R619 IonicContact OE1-CZ 2.65Å; E613-R619 IonicContact OE1-NE 3.46Å; E613-R619 PolarHBondContact OE1-NE 3.46Å; E613-R619 IonicContact OE1-NH2 3.25Å; R619-V632 HydrophobicContact CB-CG1 4.42Å; R619-Q633 CarbonylContact C-O 3.56Å; R619-Q633 WeakPolarHBondContact CA-O 3.12Å; R619-Y634 HydrophobicContact CB-CD1 3.88Å; R619-Y634 HydrophobicContact CB-CE1 3.63Å |
| 620 | T | 91.4 | Very high | 86.1 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 111.9 | 169.9 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | Q633 | T620-Q633 PolarHBondContact N-O 3.43Å; T620-Q633 PolarHBondContact O-N 3.03Å; T620-Q633 PolarHBondContact OG1-O 3.08Å |
| 621 | A | 88.9 | Confident | 86.2 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 151.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F626 V632 | A621-F626 HydrophobicContact CB-CE1 3.85Å; A621-V632 HydrophobicContact CB-CG2 3.99Å |
| 622 | S | 86.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -74.6 | -41.6 | 175 | 61 | 0 | 0 | 0 | 0 | 113.1 | S630 H631 | S622-S630 WeakPolarHBondContact OG-CA 3.48Å; S622-H631 WeakPolarHBondContact CB-CE1 3.24Å; S622-H631 PolarHBondContact N-O 3.06Å; S622-H631 PolarHBondContact OG-N 3.42Å; S622-H631 PolarHBondContact OG-ND1 3.35Å; S622-H631 PolarHBondContact OG-O 2.7Å |
| 623 | D | 86 | Confident | 86.9 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -137.8 | 143.6 | -167.3 | -58.7 | -87.9 | 0 | 0 | 0 | 111.3 | P627 | D623-P627 HydrophobicContact CB-CG 4.36Š|
| 624 | A | 73.4 | Confident | 87.2 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 89% | 0.893 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 129.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 625 | G | 73.7 | Confident | 87.4 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T607 P627 | T607-G625 WeakPolarHBondContact CB-O 3.46Å; T607-G625 WeakPolarHBondContact CG2-O 3.28Å; G625-P627 VanDerWaalsContact C-CD 3.47Å |
| 626 | F | 88.1 | Confident | 87.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | trans | 50.2 | 47.6 | 169.4 | -45.3 | -73 | 0 | 0 | 0 | 117.1 | T607 C608 D610 A621 S630 V632 W660 | T607-F626 CarbonylContact C-O 3.45Å; T607-F626 WeakPolarHBondContact CA-O 3.48Å; C608-F626 PolarHBondContact N-O 2.76Å; D610-F626 HydrophobicContact CB-CD2 4.33Å; D610-F626 HydrophobicContact CB-CE2 3.61Å; D610-F626 HydrophobicContact CB-CZ 4.28Å; A621-F626 HydrophobicContact CB-CE1 3.85Å; F626-S630 VanDerWaalsContact C-OG 3.28Å; F626-S630 WeakPolarHBondContact CA-OG 3.41Å; F626-V632 HydrophobicContact CD1-CG2 3.85Å; F626-V632 HydrophobicContact CE1-CG2 3.66Å; F626-W660 HydrophobicContact CB-CH2 4Å; F626-W660 HydrophobicContact CB-CZ2 3.82Å; F626-W660 AromaticContact CD1-CH2 3.79Å; F626-W660 HydrophobicContact CD1-CH2 3.79Å; F626-W660 AromaticContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CG-CH2 4.18Å; F626-W660 AromaticContact CG-CZ2 3.89Å; F626-W660 HydrophobicContact CG-CZ2 3.89Å | ||
| 627 | P | 87.3 | Confident | 87.7 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -56.9 | 156.7 | 171.7 | 25.7 | -35.5 | 0 | 0 | 0 | 113.3 | M606 D623 G625 G629 S630 | M606-P627 CarbonylContact O-C 3.57Å; M606-P627 WeakPolarHBondContact O-CA 3.42Å; D623-P627 HydrophobicContact CB-CG 4.36Å; G625-P627 VanDerWaalsContact C-CD 3.47Å; P627-G629 PolarHBondContact O-N 3.46Å; P627-S630 WeakPolarHBondContact CD-OG 3.41Å; P627-S630 WeakPolarHBondContact CG-OG 3.45Å; P627-S630 VanDerWaalsContact N-OG 3.13Å; P627-S630 WeakPolarHBondContact O-CB 3.44Å; P627-S630 PolarHBondContact O-N 3.28Å; P627-S630 PolarHBondContact O-OG 3.16Å |
| 628 | V | 86.3 | Confident | 87.4 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 33% | 0.333 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 126.9 | 173.3 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | M606 P658 | M606-V628 PolarHBondContact O-N 2.81Å; V628-P658 HydrophobicContact CG2-CB 3.82Å; V628-P658 HydrophobicContact CG2-CG 3.82Å |
| 629 | G | 84.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -18.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P627 C650 | P627-G629 PolarHBondContact O-N 3.46Å; G629-C650 PolarHBondContact N-O 3.1Å |
| 630 | S | 89.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | trans | -61.4 | 152.1 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | S622 F626 P627 T649 C650 | S622-S630 WeakPolarHBondContact OG-CA 3.48Å; F626-S630 VanDerWaalsContact C-OG 3.28Å; F626-S630 WeakPolarHBondContact CA-OG 3.41Å; P627-S630 WeakPolarHBondContact CD-OG 3.41Å; P627-S630 WeakPolarHBondContact CG-OG 3.45Å; P627-S630 VanDerWaalsContact N-OG 3.13Å; P627-S630 WeakPolarHBondContact O-CB 3.44Å; P627-S630 PolarHBondContact O-N 3.28Å; P627-S630 PolarHBondContact O-OG 3.16Å; S630-T649 WeakPolarHBondContact O-CA 3.49Å; S630-C650 PolarHBondContact O-N 3.43Å | ||
| 631 | H | 91.6 | Very high | 85.7 | Confident | 88 Ų | 88 | 58.1 Ų | 58.1 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.5 | 178.8 | 58.2 | -84.4 | 0 | 0 | 0 | 112.3 | S622 M647 L648 T649 | S622-H631 WeakPolarHBondContact CB-CE1 3.24Å; S622-H631 PolarHBondContact N-O 3.06Å; S622-H631 PolarHBondContact OG-N 3.42Å; S622-H631 PolarHBondContact OG-ND1 3.35Å; S622-H631 PolarHBondContact OG-O 2.7Å; H631-M647 HydrophobicContact CB-CE 3.61Å; H631-M647 HydrophobicContact CB-SD 4.13Å; H631-L648 CarbonylContact C-O 3.54Å; H631-L648 WeakPolarHBondContact CA-O 3.4Å; H631-T649 HydrophobicContact CB-CG2 4.03Å |
| 632 | V | 92 | Very high | 85.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.1 | -177.9 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | P611 R619 A621 F626 Y634 M647 L648 W660 | P611-V632 HydrophobicContact CG-CB 4.31Å; P611-V632 HydrophobicContact CG-CG1 4.25Å; P611-V632 HydrophobicContact CG-CG2 4.04Å; R619-V632 HydrophobicContact CB-CG1 4.42Å; A621-V632 HydrophobicContact CB-CG2 3.99Å; F626-V632 HydrophobicContact CD1-CG2 3.85Å; F626-V632 HydrophobicContact CE1-CG2 3.66Å; V632-Y634 HydrophobicContact CB-CE2 4.38Å; V632-Y634 HydrophobicContact CG1-CD2 4.4Å; V632-Y634 HydrophobicContact CG1-CE1 4.47Å; V632-Y634 HydrophobicContact CG1-CE2 3.72Å; V632-M647 WeakPolarHBondContact O-CE 3.04Å; V632-L648 PolarHBondContact N-O 3.09Å; V632-L648 PolarHBondContact O-N 2.86Å; V632-W660 HydrophobicContact CG2-CH2 3.56Å; V632-W660 HydrophobicContact CG2-CZ2 4.2Å; V632-W660 HydrophobicContact CG2-CZ3 3.92Å |
| 633 | Q | 92.8 | Very high | 85.5 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134 | -179.8 | -174.9 | 169.4 | 105.1 | 0 | 0 | 110.6 | R619 T620 R635 A646 M647 | R619-Q633 CarbonylContact C-O 3.56Å; R619-Q633 WeakPolarHBondContact CA-O 3.12Å; T620-Q633 PolarHBondContact N-O 3.43Å; T620-Q633 PolarHBondContact O-N 3.03Å; T620-Q633 PolarHBondContact OG1-O 3.08Å; Q633-R635 VanDerWaalsContact OE1-CZ 3.28Å; Q633-A646 WeakPolarHBondContact CA-O 3.35Å; Q633-A646 WeakPolarHBondContact CG-O 3.02Å; Q633-M647 HydrophobicContact CB-CE 3.63Å; Q633-M647 HydrophobicContact CB-SD 4.43Å; Q633-M647 VanDerWaalsContact N-CE 3.29Å |
| 634 | Y | 92.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.2 | 177.7 | -69.5 | -79.6 | 0 | 0 | 0 | 110.2 | P611 G612 I614 H618 R619 V632 L642 A646 L648 P665 | P611-Y634 WeakPolarHBondContact CB-OH 3.41Å; P611-Y634 WeakPolarHBondContact CG-OH 3.38Å; P611-Y634 PolarHBondContact O-OH 2.98Å; G612-Y634 PolarHBondContact O-OH 2.91Å; I614-Y634 HydrophobicContact CB-CD1 4.47Å; I614-Y634 HydrophobicContact CD1-CD1 3.59Å; I614-Y634 HydrophobicContact CD1-CG 4.03Å; I614-Y634 HydrophobicContact CG1-CD1 3.83Å; I614-Y634 HydrophobicContact CG1-CE1 4.37Å; I614-Y634 HydrophobicContact CG2-CD1 3.85Å; I614-Y634 HydrophobicContact CG2-CE1 3.73Å; H618-Y634 WeakPolarHBondContact O-CA 3.13Å; R619-Y634 HydrophobicContact CB-CD1 3.88Å; R619-Y634 HydrophobicContact CB-CE1 3.63Å; V632-Y634 HydrophobicContact CB-CE2 4.38Å; V632-Y634 HydrophobicContact CG1-CD2 4.4Å; V632-Y634 HydrophobicContact CG1-CE1 4.47Å; V632-Y634 HydrophobicContact CG1-CE2 3.72Å; Y634-L642 WeakPolarHBondContact O-CD1 3.18Å; Y634-A646 PolarHBondContact N-O 2.86Å; Y634-L648 HydrophobicContact CE2-CD1 3.89Å; Y634-L648 HydrophobicContact CE2-CG 4.12Å; Y634-P665 HydrophobicContact CD2-CG 3.69Å; Y634-P665 HydrophobicContact CE2-CG 4.45Å; Y634-P665 HydrophobicContact CG-CG 3.75Å |
| 635 | R | 91.3 | Very high | 86.2 | Confident | 134 Ų | 134 | 56.2 Ų | 56.2 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.6 | 172.7 | -54.8 | -174.6 | -168.4 | 159 | -0.3 | 109.3 | G617 H618 Q633 | G617-R635 CarbonylContact C-O 3.57Å; G617-R635 WeakPolarHBondContact CA-O 3.39Å; H618-R635 PolarHBondContact N-O 3.2Å; H618-R635 PolarHBondContact O-N 2.85Å; H618-R635 VanDerWaalsContact O-N 3.09Å; Q633-R635 VanDerWaalsContact OE1-CZ 3.28Å |
| 636 | C | 90.2 | Very high | 86.8 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 156.6 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | L642 C667 | C636-L642 VanDerWaalsContact SG-CA 3.52Å; C636-L642 VanDerWaalsContact SG-CB 3.56Å; C636-C667 WeakPolarHBondContact CA-SG 3.45Å; C636-C667 HydrophobicContact CB-CB 3.78Å; C636-C667 WeakPolarHBondContact CB-SG 3.4Å; C636-C667 WeakPolarHBondContact SG-CA 3.42Å; C636-C667 WeakPolarHBondContact SG-CB 3.4Å; C636-C667 CovalentContact SG-SG 2.03Å; C636-C667 PolarHBondContact SG-SG 3.06Å |
| 637 | L | 87.6 | Confident | 87 | Confident | 87 Ų | 87 | 58 Ų | 58 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 157.6 | 171.5 | -65.2 | 178.1 | 0 | 0 | 0 | 110.9 | N616 G639 Y640 | N616-L637 WeakPolarHBondContact O-CG 3.47Å; N616-L637 PolarHBondContact O-N 3.43Å; L637-G639 PolarHBondContact O-N 3.47Å; L637-Y640 HydrophobicContact CB-CD2 4.36Å; L637-Y640 WeakPolarHBondContact O-CB 3.29Å; L637-Y640 PolarHBondContact O-N 3.43Å |
| 638 | P | 83.3 | Confident | 87.2 | Confident | 129 Ų | 129 | 55.5 Ų | 55.5 | 84% | 0.838 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.1 | 175.7 | -26.6 | 35.6 | 0 | 0 | 0 | 112.4 | ||
| 639 | G | 71.8 | Confident | 87.5 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 46% | 0.464 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -11.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L637 K670 | L637-G639 PolarHBondContact O-N 3.47Å; G639-K670 PolarHBondContact O-N 3.08Å |
| 640 | Y | 81.4 | Confident | 87.7 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 28% | 0.275 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.5 | 178.5 | -64.2 | -103.7 | 0 | 0 | 0 | 111.7 | N616 L637 C667 A668 L669 | N616-Y640 HydrophobicContact CB-CD1 3.61Å; N616-Y640 HydrophobicContact CB-CD2 4.13Å; N616-Y640 HydrophobicContact CB-CE1 3.5Å; N616-Y640 VanDerWaalsContact CB-CE1 3.5Å; N616-Y640 HydrophobicContact CB-CE2 4.06Å; N616-Y640 HydrophobicContact CB-CG 3.93Å; N616-Y640 VanDerWaalsContact CG-CE1 3.43Å; N616-Y640 VanDerWaalsContact ND2-CE1 3.31Å; N616-Y640 WeakPolarHBondContact ND2-CE1 3.21Å; L637-Y640 HydrophobicContact CB-CD2 4.36Å; L637-Y640 WeakPolarHBondContact O-CB 3.29Å; L637-Y640 PolarHBondContact O-N 3.43Å; Y640-C667 HydrophobicContact CD1-CB 4.35Å; Y640-A668 CarbonylContact C-O 3.6Å; Y640-A668 WeakPolarHBondContact CA-O 3.41Å; Y640-L669 HydrophobicContact CD1-CG 4.09Å; Y640-L669 HydrophobicContact CE1-CD1 4.1Å; Y640-L669 HydrophobicContact CE1-CD2 4.35Å; Y640-L669 HydrophobicContact CE1-CG 3.6Å |
| 641 | S | 80.2 | Confident | 87.7 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.4 | 172.6 | 42.4 | 0 | 0 | 0 | 0 | 111.3 | C667 A668 | S641-C667 WeakPolarHBondContact O-CA 3.17Å; S641-A668 PolarHBondContact N-O 3.28Å; S641-A668 PolarHBondContact O-N 3.27Å |
| 642 | L | 85.2 | Confident | 87.1 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.4 | -178.1 | -166.8 | 149.3 | 0 | 0 | 0 | 110.8 | Y634 C636 G644 A646 P665 K666 | Y634-L642 WeakPolarHBondContact O-CD1 3.18Å; C636-L642 VanDerWaalsContact SG-CA 3.52Å; C636-L642 VanDerWaalsContact SG-CB 3.56Å; L642-G644 VanDerWaalsContact CD2-O 3.25Å; L642-G644 WeakPolarHBondContact CD2-O 3.4Å; L642-A646 HydrophobicContact CD1-CB 4.1Å; L642-A646 HydrophobicContact CD2-CB 4.02Å; L642-P665 HydrophobicContact CD1-CB 4.39Å; L642-P665 HydrophobicContact CD1-CG 4.3Å; L642-P665 HydrophobicContact CD2-CB 3.58Å; L642-P665 HydrophobicContact CD2-CG 4.24Å; L642-P665 HydrophobicContact CG-CB 3.95Å; L642-P665 HydrophobicContact CG-CG 4.4Å; L642-K666 WeakPolarHBondContact CA-O 3.26Å |
| 643 | E | 86.6 | Confident | 86.2 | Confident | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.7 | 175.7 | -63.4 | -178.3 | 161.3 | 0 | 0 | 109.2 | P665 K666 A668 | E643-P665 CarbonylContact O-C 3.55Å; E643-P665 VanDerWaalsContact O-CA 3.27Å; E643-P665 WeakPolarHBondContact O-CA 3.28Å; E643-P665 VanDerWaalsContact O-CB 3.31Å; E643-P665 WeakPolarHBondContact O-CB 3.38Å; E643-K666 PolarHBondContact N-O 2.81Å; E643-K666 PolarHBondContact O-N 2.89Å; E643-A668 VanDerWaalsContact CD-CB 3.47Å; E643-A668 HydrophobicContact CG-CB 4.1Å; E643-A668 VanDerWaalsContact OE1-CB 3.29Å; E643-A668 WeakPolarHBondContact OE1-CB 3.3Å |
| 644 | G | 85.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 66 Ų | 66 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 111.5 | -164.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L642 A646 | L642-G644 VanDerWaalsContact CD2-O 3.25Å; L642-G644 WeakPolarHBondContact CD2-O 3.4Å; G644-A646 PolarHBondContact O-N 2.85Å |
| 645 | A | 87.6 | Confident | 83.2 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | trans | -75 | 118 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M647 L648 D662 P665 | A645-M647 PolarHBondContact O-N 2.72Å; A645-L648 HydrophobicContact CB-CD2 4.01Å; A645-D662 HydrophobicContact CB-CB 3.72Å; A645-P665 WeakPolarHBondContact O-CG 3.31Å | ||
| 646 | A | 88 | Confident | 81.9 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -67.7 | -10.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q633 Y634 L642 G644 | Q633-A646 WeakPolarHBondContact CA-O 3.35Å; Q633-A646 WeakPolarHBondContact CG-O 3.02Å; Y634-A646 PolarHBondContact N-O 2.86Å; L642-A646 HydrophobicContact CD1-CB 4.1Å; L642-A646 HydrophobicContact CD2-CB 4.02Å; G644-A646 PolarHBondContact O-N 2.85Å |
| 647 | M | 92.3 | Very high | 81.2 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 31% | 0.305 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 113.8 | -174.6 | 175.3 | 88.3 | -75.2 | 0 | 0 | 108.7 | H631 V632 Q633 A645 | H631-M647 HydrophobicContact CB-CE 3.61Å; H631-M647 HydrophobicContact CB-SD 4.13Å; V632-M647 WeakPolarHBondContact O-CE 3.04Å; Q633-M647 HydrophobicContact CB-CE 3.63Å; Q633-M647 HydrophobicContact CB-SD 4.43Å; Q633-M647 VanDerWaalsContact N-CE 3.29Å; A645-M647 PolarHBondContact O-N 2.72Å |
| 648 | L | 91.4 | Very high | 81 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.8 | 170.8 | -55.6 | -173.7 | 0 | 0 | 0 | 109.7 | P611 H631 V632 Y634 A645 W660 D662 V664 | P611-L648 HydrophobicContact CB-CD1 4.08Å; H631-L648 CarbonylContact C-O 3.54Å; H631-L648 WeakPolarHBondContact CA-O 3.4Å; V632-L648 PolarHBondContact N-O 3.09Å; V632-L648 PolarHBondContact O-N 2.86Å; Y634-L648 HydrophobicContact CE2-CD1 3.89Å; Y634-L648 HydrophobicContact CE2-CG 4.12Å; A645-L648 HydrophobicContact CB-CD2 4.01Å; L648-W660 HydrophobicContact CB-CB 4.43Å; L648-W660 HydrophobicContact CB-CD2 4.25Å; L648-W660 HydrophobicContact CB-CE3 3.68Å; L648-W660 HydrophobicContact CB-CZ3 4.38Å; L648-W660 HydrophobicContact CD1-CB 4.36Å; L648-W660 HydrophobicContact CD1-CG 4.4Å; L648-D662 HydrophobicContact CD2-CB 3.7Å; L648-V664 HydrophobicContact CD1-CG2 4.44Å |
| 649 | T | 91.3 | Very high | 81.2 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.8 | 172.7 | 59.1 | 0 | 0 | 0 | 0 | 110.9 | S630 H631 W660 S661 | S630-T649 WeakPolarHBondContact O-CA 3.49Å; H631-T649 HydrophobicContact CB-CG2 4.03Å; T649-W660 VanDerWaalsContact C-CE3 3.42Å; T649-W660 CarbonylContact O-C 3.48Å; T649-W660 WeakPolarHBondContact O-CA 3.34Å; T649-S661 PolarHBondContact N-OG 2.79Å; T649-S661 PolarHBondContact O-N 2.98Å; T649-S661 WeakPolarHBondContact OG1-CB 3.33Å |
| 650 | C | 90.5 | Very high | 82 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.3 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | C608 G629 S630 W660 | C608-C650 HydrophobicContact CB-CB 3.86Å; C608-C650 WeakPolarHBondContact CB-SG 3.49Å; C608-C650 PolarHBondContact N-SG 2.84Å; C608-C650 WeakPolarHBondContact SG-CA 3.32Å; C608-C650 WeakPolarHBondContact SG-CB 3.4Å; C608-C650 CovalentContact SG-SG 2.03Å; C608-C650 PolarHBondContact SG-SG 2.74Å; G629-C650 PolarHBondContact N-O 3.1Å; S630-C650 PolarHBondContact O-N 3.43Å; C650-W660 HydrophobicContact CB-CE3 4Å; C650-W660 HydrophobicContact CB-CH2 3.84Å; C650-W660 HydrophobicContact CB-CZ2 4.39Å; C650-W660 HydrophobicContact CB-CZ3 3.63Å; C650-W660 VanDerWaalsContact N-CZ3 3.34Å |
| 651 | Y | 87.2 | Confident | 82.4 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 35% | 0.345 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.3 | 178.9 | 74.2 | -80.1 | 0 | 0 | 0 | 111.7 | R653 P658 K659 | Y651-R653 PolarHBondContact OH-NH2 3.28Å; Y651-P658 WeakPolarHBondContact O-CA 3.32Å; Y651-K659 WeakPolarHBondContact CD1-O 3.12Å; Y651-K659 HydrophobicContact CE1-CB 4.4Å; Y651-K659 WeakPolarHBondContact CE1-O 3.19Å; Y651-K659 PolarHBondContact N-O 3.42Å; Y651-K659 PolarHBondContact O-N 2.87Å |
| 652 | S | 80.8 | Confident | 82.8 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 144.9 | 169.2 | -164.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 653 | R | 71.8 | Confident | 82.9 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 152.7 | 155.8 | -165.2 | 170 | -65.9 | -160.1 | -2.8 | 107.8 | Y651 T655 | Y651-R653 PolarHBondContact OH-NH2 3.28Å; R653-T655 PolarHBondContact O-N 3.24Å |
| 654 | D | 63.8 | Low | 83 | Confident | 149 Ų | 149 | 70.4 Ų | 70.4 | 80% | 0.797 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.6 | -173 | -54.3 | -76.4 | 0 | 0 | 0 | 113.2 | ||
| 655 | T | 58.6 | Low | 83.2 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 76% | 0.761 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | 32.2 | -171.8 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | R653 | R653-T655 PolarHBondContact O-N 3.24Š|
| 656 | G | 64.9 | Low | 83.3 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 657 | T | 75.4 | Confident | 83.3 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 141.2 | 179.2 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | I605 | I605-T657 HydrophobicContact CD1-CG2 3.87Å |
| 658 | P | 83.6 | Confident | 82.7 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 7% | 0.065 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 142.5 | 170.3 | -25.1 | 35.2 | 0 | 0 | 0 | 111.6 | I605 T607 V628 Y651 | I605-P658 HydrophobicContact CG2-CG 4.29Å; I605-P658 VanDerWaalsContact O-CD 3.28Å; I605-P658 WeakPolarHBondContact O-CD 3.39Å; I605-P658 WeakPolarHBondContact O-CG 3.44Å; T607-P658 WeakPolarHBondContact O-CB 3.39Å; T607-P658 WeakPolarHBondContact O-CG 3.04Å; V628-P658 HydrophobicContact CG2-CB 3.82Å; V628-P658 HydrophobicContact CG2-CG 3.82Å; Y651-P658 WeakPolarHBondContact O-CA 3.32Å |
| 659 | K | 86.3 | Confident | 81.8 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 155.7 | 179.2 | -71.6 | -169.8 | 176.9 | -174.5 | 0 | 111.5 | C608 Y651 | C608-K659 VanDerWaalsContact SG-C 3.5Å; Y651-K659 WeakPolarHBondContact CD1-O 3.12Å; Y651-K659 HydrophobicContact CE1-CB 4.4Å; Y651-K659 WeakPolarHBondContact CE1-O 3.19Å; Y651-K659 PolarHBondContact N-O 3.42Å; Y651-K659 PolarHBondContact O-N 2.87Å |
| 660 | W | 89.8 | Confident | 80.4 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 14% | 0.144 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 145.9 | 167.4 | -64.8 | 108 | 0 | 0 | 0 | 110.5 | C608 A609 P611 F626 V632 L648 T649 C650 D662 | C608-W660 HydrophobicContact CB-CD2 4.19Å; C608-W660 VanDerWaalsContact CB-CE2 3.49Å; C608-W660 HydrophobicContact CB-CH2 4.35Å; C608-W660 HydrophobicContact CB-CZ2 3.59Å; A609-W660 PolarHBondContact O-NE1 3.37Å; P611-W660 HydrophobicContact CG-CD2 4.43Å; P611-W660 HydrophobicContact CG-CZ2 3.87Å; F626-W660 HydrophobicContact CB-CH2 4Å; F626-W660 HydrophobicContact CB-CZ2 3.82Å; F626-W660 AromaticContact CD1-CH2 3.79Å; F626-W660 HydrophobicContact CD1-CH2 3.79Å; F626-W660 AromaticContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CG-CH2 4.18Å; F626-W660 AromaticContact CG-CZ2 3.89Å; F626-W660 HydrophobicContact CG-CZ2 3.89Å; V632-W660 HydrophobicContact CG2-CH2 3.56Å; V632-W660 HydrophobicContact CG2-CZ2 4.2Å; V632-W660 HydrophobicContact CG2-CZ3 3.92Å; L648-W660 HydrophobicContact CB-CB 4.43Å; L648-W660 HydrophobicContact CB-CD2 4.25Å; L648-W660 HydrophobicContact CB-CE3 3.68Å; L648-W660 HydrophobicContact CB-CZ3 4.38Å; L648-W660 HydrophobicContact CD1-CB 4.36Å; L648-W660 HydrophobicContact CD1-CG 4.4Å; T649-W660 VanDerWaalsContact C-CE3 3.42Å; T649-W660 CarbonylContact O-C 3.48Å; T649-W660 WeakPolarHBondContact O-CA 3.34Å; C650-W660 HydrophobicContact CB-CE3 4Å; C650-W660 HydrophobicContact CB-CH2 3.84Å; C650-W660 HydrophobicContact CB-CZ2 4.39Å; C650-W660 HydrophobicContact CB-CZ3 3.63Å; C650-W660 VanDerWaalsContact N-CZ3 3.34Å; W660-D662 PolarHBondContact O-N 3.18Å |
| 661 | S | 88.9 | Confident | 79.2 | Confident | 53 Ų | 53 | 81.4 Ų | 81.4 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -54.9 | -30.6 | 177.8 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | T649 | T649-S661 PolarHBondContact N-OG 2.79Å; T649-S661 PolarHBondContact O-N 2.98Å; T649-S661 WeakPolarHBondContact OG1-CB 3.33Å |
| 662 | D | 88.3 | Confident | 78.4 | Confident | 93 Ų | 93 | 83.2 Ų | 83.2 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -152 | 176 | -172.6 | -139.6 | -41 | 0 | 0 | 0 | 111.4 | A645 L648 W660 | A645-D662 HydrophobicContact CB-CB 3.72Å; L648-D662 HydrophobicContact CD2-CB 3.7Å; W660-D662 PolarHBondContact O-N 3.18Å |
| 663 | R | 87.9 | Confident | 78.1 | Confident | 217 Ų | 217 | 83.4 Ų | 83.4 | 82% | 0.819 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 152.5 | 173.6 | -60.7 | -170.6 | -173.8 | -149 | 4.5 | 111.4 | ||
| 664 | V | 89.6 | Confident | 78.6 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 126.3 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | P611 I614 L648 | P611-V664 HydrophobicContact CB-CG2 4.1Å; P611-V664 VanDerWaalsContact O-CG2 3.28Å; P611-V664 WeakPolarHBondContact O-CG2 3.3Å; I614-V664 HydrophobicContact CG2-CG1 3.57Å; L648-V664 HydrophobicContact CD1-CG2 4.44Å |
| 665 | P | 89.7 | Confident | 79.6 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.032 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 165.6 | -175.9 | 32.2 | -38 | 0 | 0 | 0 | 112.6 | I614 Y634 L642 E643 A645 | I614-P665 WeakPolarHBondContact CG2-O 3.11Å; Y634-P665 HydrophobicContact CD2-CG 3.69Å; Y634-P665 HydrophobicContact CE2-CG 4.45Å; Y634-P665 HydrophobicContact CG-CG 3.75Å; L642-P665 HydrophobicContact CD1-CB 4.39Å; L642-P665 HydrophobicContact CD1-CG 4.3Å; L642-P665 HydrophobicContact CD2-CB 3.58Å; L642-P665 HydrophobicContact CD2-CG 4.24Å; L642-P665 HydrophobicContact CG-CB 3.95Å; L642-P665 HydrophobicContact CG-CG 4.4Å; E643-P665 CarbonylContact O-C 3.55Å; E643-P665 VanDerWaalsContact O-CA 3.27Å; E643-P665 WeakPolarHBondContact O-CA 3.28Å; E643-P665 VanDerWaalsContact O-CB 3.31Å; E643-P665 WeakPolarHBondContact O-CB 3.38Å; A645-P665 WeakPolarHBondContact O-CG 3.31Å |
| 666 | K | 88.6 | Confident | 81 | Confident | 151 Ų | 151 | 71.7 Ų | 71.7 | 66% | 0.657 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152.1 | 176.5 | -64.3 | -179.4 | -178.7 | 178.2 | 0 | 111.1 | L642 E643 | L642-K666 WeakPolarHBondContact CA-O 3.26Å; E643-K666 PolarHBondContact N-O 2.81Å; E643-K666 PolarHBondContact O-N 2.89Å |
| 667 | C | 88.3 | Confident | 82 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 103.3 | 172.2 | -69.2 | 0 | 0 | 0 | 0 | 110 | I614 A615 N616 C636 Y640 S641 | I614-C667 VanDerWaalsContact CD1-SG 3.55Å; A615-C667 WeakPolarHBondContact O-CB 3.32Å; N616-C667 HydrophobicContact CB-CB 4.15Å; C636-C667 WeakPolarHBondContact CA-SG 3.45Å; C636-C667 HydrophobicContact CB-CB 3.78Å; C636-C667 WeakPolarHBondContact CB-SG 3.4Å; C636-C667 WeakPolarHBondContact SG-CA 3.42Å; C636-C667 WeakPolarHBondContact SG-CB 3.4Å; C636-C667 CovalentContact SG-SG 2.03Å; C636-C667 PolarHBondContact SG-SG 3.06Å; Y640-C667 HydrophobicContact CD1-CB 4.35Å; S641-C667 WeakPolarHBondContact O-CA 3.17Å |
| 668 | A | 80.3 | Confident | 82.4 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 148.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y640 S641 E643 K670 | Y640-A668 CarbonylContact C-O 3.6Å; Y640-A668 WeakPolarHBondContact CA-O 3.41Å; S641-A668 PolarHBondContact N-O 3.28Å; S641-A668 PolarHBondContact O-N 3.27Å; E643-A668 VanDerWaalsContact CD-CB 3.47Å; E643-A668 HydrophobicContact CG-CB 4.1Å; E643-A668 VanDerWaalsContact OE1-CB 3.29Å; E643-A668 WeakPolarHBondContact OE1-CB 3.3Å; A668-K670 PolarHBondContact O-N 2.78Å |
| 669 | L | 71.5 | Confident | 82.5 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.4 | 175.8 | -99.4 | 147.6 | 0 | 0 | 0 | 110.7 | Y640 Y671 | Y640-L669 HydrophobicContact CD1-CG 4.09Å; Y640-L669 HydrophobicContact CE1-CD1 4.1Å; Y640-L669 HydrophobicContact CE1-CD2 4.35Å; Y640-L669 HydrophobicContact CE1-CG 3.6Å; L669-Y671 HydrophobicContact CB-CE1 4.2Å; L669-Y671 HydrophobicContact CB-CE2 4Å; L669-Y671 PolarHBondContact O-N 2.92Å |
| 670 | K | 61.8 | Low | 82.5 | Confident | 141 Ų | 141 | 68.6 Ų | 68.6 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | trans | -90.9 | 91.9 | 178.1 | -170.6 | -177 | 177.3 | -174.8 | 0 | 110.3 | G639 A668 | G639-K670 PolarHBondContact O-N 3.08Å; A668-K670 PolarHBondContact O-N 2.78Å | ||
| 671 | Y | 65.8 | Low | 82.2 | Confident | 87 Ų | 87 | 74.5 Ų | 74.5 | 34% | 0.341 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 144.8 | 170.3 | -54.3 | -67.6 | 0 | 0 | 0 | 111.1 | L669 A694 P718 | L669-Y671 HydrophobicContact CB-CE1 4.2Å; L669-Y671 HydrophobicContact CB-CE2 4Å; L669-Y671 PolarHBondContact O-N 2.92Å; Y671-A694 HydrophobicContact CD2-CB 4.35Å; Y671-P718 HydrophobicContact CD1-CB 3.75Å; Y671-P718 HydrophobicContact CD2-CB 4.25Å; Y671-P718 HydrophobicContact CE1-CB 3.55Å; Y671-P718 HydrophobicContact CE2-CB 4.06Å; Y671-P718 HydrophobicContact CG-CB 4.1Å |
| 672 | E | 70.4 | Confident | 82.1 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 59% | 0.593 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 134.6 | 164.2 | -69.4 | -178.2 | 137.9 | 0 | 0 | 108.8 | S722 | E672-S722 WeakPolarHBondContact O-CB 3.1Å; E672-S722 PolarHBondContact O-OG 2.84Å |
| 673 | P | 75.1 | Confident | 82 | Confident | 48 Ų | 48 | 71 Ų | 71 | 31% | 0.312 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 147.1 | -173 | 31.3 | -36.4 | 0 | 0 | 0 | 111.9 | L675 H691 Y692 | P673-L675 PolarHBondContact O-N 2.9Å; P673-H691 HydrophobicContact CB-CB 4.01Å; P673-H691 HydrophobicContact CG-CB 3.88Å; P673-Y692 CarbonylContact C-O 3.35Å; P673-Y692 VanDerWaalsContact CA-O 3.26Å; P673-Y692 WeakPolarHBondContact CA-O 3.4Å; P673-Y692 WeakPolarHBondContact CB-O 3.29Å |
| 674 | C | 83.1 | Confident | 82 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 129.5 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | H691 Y692 C716 W724 | C674-H691 CarbonylContact O-C 3.59Å; C674-H691 WeakPolarHBondContact O-CA 3.46Å; C674-Y692 PolarHBondContact N-O 3.37Å; C674-Y692 PolarHBondContact O-N 3.02Å; C674-C716 HydrophobicContact CB-CB 3.81Å; C674-C716 WeakPolarHBondContact CB-SG 3.3Å; C674-C716 VanDerWaalsContact SG-CA 3.54Å; C674-C716 WeakPolarHBondContact SG-CB 3.34Å; C674-C716 CovalentContact SG-SG 2.03Å; C674-C716 PolarHBondContact SG-SG 3.05Å; C674-W724 HydrophobicContact CB-CD2 4.34Å; C674-W724 HydrophobicContact CB-CH2 4.47Å; C674-W724 HydrophobicContact CB-CZ2 3.7Å |
| 675 | L | 84.8 | Confident | 82 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 64% | 0.644 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 151 | 169.3 | -77.7 | 162.2 | 0 | 0 | 0 | 110.9 | P673 W724 | P673-L675 PolarHBondContact O-N 2.9Å; L675-W724 PolarHBondContact O-NE1 3.19Å |
| 676 | N | 86.4 | Confident | 81.6 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.193 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 123.7 | 174.9 | -169.6 | -38.7 | 0 | 0 | 0 | 110.9 | G678 Q685 Y688 K689 H690 Y692 | N676-G678 PolarHBondContact O-N 3.47Å; N676-G678 PolarHBondContact OD1-N 2.82Å; N676-Q685 PolarHBondContact ND2-NE2 3.45Å; N676-Y688 WeakPolarHBondContact ND2-CE2 3.32Å; N676-K689 WeakPolarHBondContact CB-O 3.09Å; N676-K689 PolarHBondContact ND2-O 3.25Å; N676-H690 PolarHBondContact N-O 2.97Å; N676-H690 VanDerWaalsContact N-O 3.1Å; N676-Y692 HydrophobicContact CB-CE2 3.87Å; N676-Y692 PolarHBondContact ND2-OH 3.37Å |
| 677 | P | 85.8 | Confident | 81.3 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | trans | -75.5 | -9.4 | -176.7 | 28.7 | -31.3 | 0 | 0 | 0 | 113.7 | L698 F700 I714 W724 P728 | P677-L698 HydrophobicContact CG-CD1 3.81Å; P677-F700 HydrophobicContact CG-CZ 4.31Å; P677-I714 HydrophobicContact CB-CD1 4.27Å; P677-I714 HydrophobicContact CG-CD1 3.78Å; P677-W724 HydrophobicContact CG-CD2 4.35Å; P677-W724 HydrophobicContact CG-CZ2 4.19Å; P677-P728 HydrophobicContact CB-CG 4.47Å | ||
| 678 | G | 83.9 | Confident | 81.1 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | trans | 95.7 | 158.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N676 Q685 | N676-G678 PolarHBondContact O-N 3.47Å; N676-G678 PolarHBondContact OD1-N 2.82Å; G678-Q685 PolarHBondContact O-OE1 3.24Å | ||
| 679 | V | 85.6 | Confident | 81.1 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 134.6 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | G683 Q685 | V679-G683 WeakPolarHBondContact CG1-O 3.4Å; V679-Q685 HydrophobicContact CG2-CG 4.13Å |
| 680 | P | 86.6 | Confident | 81.4 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 7% | 0.071 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 141.8 | 174.6 | -25.6 | 35.5 | 0 | 0 | 0 | 112.9 | N682 G683 F700 P729 | P680-N682 PolarHBondContact O-N 2.93Å; P680-G683 PolarHBondContact O-N 3.49Å; P680-F700 VanDerWaalsContact CD-CD1 3.42Å; P680-F700 HydrophobicContact CG-CB 4.45Å; P680-F700 HydrophobicContact CG-CD1 3.77Å; P680-F700 HydrophobicContact CG-CE1 4.3Å; P680-F700 HydrophobicContact CG-CG 4.25Å; P680-P729 WeakPolarHBondContact CB-O 3.43Å; P680-P729 HydrophobicContact CG-CG 4.23Å; P680-P729 WeakPolarHBondContact CG-O 3.21Å |
| 681 | E | 84.3 | Confident | 82.5 | Confident | 162 Ų | 162 | 73.9 Ų | 73.9 | 76% | 0.757 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 130.1 | 170.6 | -162.9 | -172.6 | 164.8 | 0 | 0 | 109.7 | G683 C731 | E681-G683 VanDerWaalsContact C-N 3.29Å; E681-G683 PolarHBondContact O-N 3.3Å; E681-C731 WeakPolarHBondContact O-CB 3.32Å |
| 682 | N | 87.1 | Confident | 83.3 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 27.8 | -170.2 | -49.9 | -73.9 | 0 | 0 | 0 | 115 | P680 Y703 F706 C731 | P680-N682 PolarHBondContact O-N 2.93Å; N682-Y703 VanDerWaalsContact O-CD2 3.28Å; N682-Y703 WeakPolarHBondContact O-CD2 3.48Å; N682-Y703 PolarHBondContact O-N 2.71Å; N682-F706 HydrophobicContact CB-CD1 3.73Å; N682-F706 HydrophobicContact CB-CD2 4.12Å; N682-F706 HydrophobicContact CB-CE1 3.52Å; N682-F706 HydrophobicContact CB-CE2 3.94Å; N682-F706 HydrophobicContact CB-CG 4.04Å; N682-F706 HydrophobicContact CB-CZ 3.63Å; N682-F706 VanDerWaalsContact CG-CE1 3.44Å; N682-F706 VanDerWaalsContact CG-CZ 3.42Å; N682-C731 HydrophobicContact CB-CB 4.38Å |
| 683 | G | 86.2 | Confident | 83.9 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -176.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V679 P680 E681 F701 | V679-G683 WeakPolarHBondContact CG1-O 3.4Å; P680-G683 PolarHBondContact O-N 3.49Å; E681-G683 VanDerWaalsContact C-N 3.29Å; E681-G683 PolarHBondContact O-N 3.3Å; G683-F701 CarbonylContact C-O 3.45Å; G683-F701 WeakPolarHBondContact CA-O 3.46Å |
| 684 | Y | 87.3 | Confident | 83.9 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 162.8 | 176.2 | 65.8 | -84.4 | 0 | 0 | 0 | 111.3 | F700 F701 Y703 | Y684-F700 WeakPolarHBondContact O-CA 3.42Å; Y684-F701 HydrophobicContact CD1-CB 4.05Å; Y684-F701 HydrophobicContact CD2-CB 4.38Å; Y684-F701 HydrophobicContact CD2-CD2 4.02Å; Y684-F701 HydrophobicContact CE1-CB 3.55Å; Y684-F701 HydrophobicContact CE1-CG 4.39Å; Y684-F701 HydrophobicContact CE2-CB 3.92Å; Y684-F701 AromaticContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CD2 3.42Å; Y684-F701 VanDerWaalsContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CE2 4.21Å; Y684-F701 AromaticContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CG-CB 4.43Å; Y684-F701 VanDerWaalsContact CZ-CB 3.47Å; Y684-F701 AromaticContact CZ-CD2 3.76Å; Y684-F701 AromaticContact CZ-CG 3.81Å; Y684-F701 PolarHBondContact N-O 3.47Å; Y684-F701 PolarHBondContact O-N 3.02Å; Y684-Y703 HydrophobicContact CD1-CD1 4.05Å; Y684-Y703 AromaticContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CE1-CD1 4.29Å; Y684-Y703 HydrophobicContact CE1-CE1 4.09Å; Y684-Y703 HydrophobicContact CG-CE1 4.45Å |
| 685 | Q | 88.6 | Confident | 83.7 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 9% | 0.093 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 154.2 | 178.9 | 72.5 | -173.6 | 44.4 | 0 | 0 | 112 | N676 G678 V679 L687 Y692 R699 F700 | N676-Q685 PolarHBondContact ND2-NE2 3.45Å; G678-Q685 PolarHBondContact O-OE1 3.24Å; V679-Q685 HydrophobicContact CG2-CG 4.13Å; Q685-L687 VanDerWaalsContact C-N 3.3Å; Q685-L687 WeakPolarHBondContact CG-O 3.37Å; Q685-L687 PolarHBondContact NE2-O 3.1Å; Q685-L687 PolarHBondContact O-N 2.76Å; Q685-Y692 PolarHBondContact NE2-OH 3.31Å; Q685-Y692 VanDerWaalsContact NE2-OH 3.09Å; Q685-R699 CarbonylContact C-O 3.54Å; Q685-R699 WeakPolarHBondContact CA-O 3.49Å; Q685-F700 HydrophobicContact CB-CD1 3.63Å; Q685-F700 HydrophobicContact CB-CE1 3.69Å |
| 686 | T | 82.6 | Confident | 83.7 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -62.7 | -30 | -176 | 43.3 | 0 | 0 | 0 | 0 | 115.2 | R699 F701 | T686-R699 HydrophobicContact CG2-CB 3.75Å; T686-R699 HydrophobicContact CG2-CG 4.17Å; T686-R699 PolarHBondContact N-O 2.96Å; T686-R699 PolarHBondContact OG1-N 2.95Å; T686-R699 PolarHBondContact OG1-O 2.61Å; T686-F701 HydrophobicContact CG2-CE2 3.69Å; T686-F701 HydrophobicContact CG2-CZ 4.4Å |
| 687 | L | 81.2 | Confident | 83.8 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | trans | -149.9 | 135.6 | -171.4 | -171.3 | 64.7 | 0 | 0 | 0 | 109.5 | Q685 K689 Y692 L698 | Q685-L687 VanDerWaalsContact C-N 3.3Å; Q685-L687 WeakPolarHBondContact CG-O 3.37Å; Q685-L687 PolarHBondContact NE2-O 3.1Å; Q685-L687 PolarHBondContact O-N 2.76Å; L687-K689 HydrophobicContact CD2-CD 4.45Å; L687-Y692 PolarHBondContact O-OH 3.06Å; L687-Y692 VanDerWaalsContact O-OH 3.07Å; L687-L698 HydrophobicContact CB-CD2 4.22Å; L687-L698 VanDerWaalsContact O-CD2 3.31Å; L687-L698 WeakPolarHBondContact O-CD2 3.39Å | ||
| 688 | Y | 84.4 | Confident | 84 | Confident | 151 Ų | 151 | 67.5 Ų | 67.5 | 59% | 0.592 | 36% | 0.359 | S | S | * | . | trans | -116.6 | 113.1 | 176.8 | -172.2 | -85.5 | 0 | 0 | 0 | 111.1 | N676 | N676-Y688 WeakPolarHBondContact ND2-CE2 3.32Š| ||
| 689 | K | 80.8 | Confident | 84.3 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | trans | -127.9 | 159.8 | 167.7 | -59.4 | 175.7 | 170.8 | 176.3 | 0 | 108.6 | N676 L687 H691 Y692 E696 | N676-K689 WeakPolarHBondContact CB-O 3.09Å; N676-K689 PolarHBondContact ND2-O 3.25Å; L687-K689 HydrophobicContact CD2-CD 4.45Å; K689-H691 VanDerWaalsContact CB-O 3.28Å; K689-H691 WeakPolarHBondContact CB-O 3.46Å; K689-Y692 HydrophobicContact CB-CD1 4.27Å; K689-Y692 HydrophobicContact CB-CE1 3.8Å; K689-Y692 HydrophobicContact CB-CE2 4.06Å; K689-Y692 HydrophobicContact CD-CD1 3.89Å; K689-Y692 HydrophobicContact CD-CE1 3.93Å; K689-Y692 HydrophobicContact CG-CD1 4.42Å; K689-Y692 HydrophobicContact CG-CE1 3.97Å; K689-Y692 PolarHBondContact N-OH 2.86Å; K689-Y692 VanDerWaalsContact O-CE2 3.3Å; K689-Y692 WeakPolarHBondContact O-CE2 3.24Å; K689-Y692 PolarHBondContact O-OH 3.36Å; K689-E696 IonicContact NZ-OE1 2.93Å; K689-E696 PolarHBondContact NZ-OE1 2.87Å; K689-E696 IonicContact NZ-OE2 2.68Å; K689-E696 PolarHBondContact NZ-OE2 2.85Å | ||
| 690 | H | 78.6 | Confident | 84.6 | Confident | 130 Ų | 130 | 68.3 Ų | 68.3 | 60% | 0.602 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -76.7 | -28.7 | 169.3 | -70.3 | -79 | 0 | 0 | 0 | 112.7 | N676 | N676-H690 PolarHBondContact N-O 2.97Å; N676-H690 VanDerWaalsContact N-O 3.1Å |
| 691 | H | 83.5 | Confident | 84.7 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 145.7 | -178 | -57 | 101.5 | 0 | 0 | 0 | 109.8 | P673 C674 K689 | P673-H691 HydrophobicContact CB-CB 4.01Å; P673-H691 HydrophobicContact CG-CB 3.88Å; C674-H691 CarbonylContact O-C 3.59Å; C674-H691 WeakPolarHBondContact O-CA 3.46Å; K689-H691 VanDerWaalsContact CB-O 3.28Å; K689-H691 WeakPolarHBondContact CB-O 3.46Å |
| 692 | Y | 84 | Confident | 85 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.8 | -178.2 | -61.4 | -95.6 | 0 | 0 | 0 | 110.6 | P673 C674 N676 Q685 L687 K689 E696 L698 W724 | P673-Y692 CarbonylContact C-O 3.35Å; P673-Y692 VanDerWaalsContact CA-O 3.26Å; P673-Y692 WeakPolarHBondContact CA-O 3.4Å; P673-Y692 WeakPolarHBondContact CB-O 3.29Å; C674-Y692 PolarHBondContact N-O 3.37Å; C674-Y692 PolarHBondContact O-N 3.02Å; N676-Y692 HydrophobicContact CB-CE2 3.87Å; N676-Y692 PolarHBondContact ND2-OH 3.37Å; Q685-Y692 PolarHBondContact NE2-OH 3.31Å; Q685-Y692 VanDerWaalsContact NE2-OH 3.09Å; L687-Y692 PolarHBondContact O-OH 3.06Å; L687-Y692 VanDerWaalsContact O-OH 3.07Å; K689-Y692 HydrophobicContact CB-CD1 4.27Å; K689-Y692 HydrophobicContact CB-CE1 3.8Å; K689-Y692 HydrophobicContact CB-CE2 4.06Å; K689-Y692 HydrophobicContact CD-CD1 3.89Å; K689-Y692 HydrophobicContact CD-CE1 3.93Å; K689-Y692 HydrophobicContact CG-CD1 4.42Å; K689-Y692 HydrophobicContact CG-CE1 3.97Å; K689-Y692 PolarHBondContact N-OH 2.86Å; K689-Y692 VanDerWaalsContact O-CE2 3.3Å; K689-Y692 WeakPolarHBondContact O-CE2 3.24Å; K689-Y692 PolarHBondContact O-OH 3.36Å; Y692-E696 WeakPolarHBondContact CA-OE2 3.4Å; Y692-L698 HydrophobicContact CD1-CD1 4.48Å; Y692-L698 HydrophobicContact CD1-CD2 4.38Å; Y692-L698 HydrophobicContact CD1-CG 4.32Å; Y692-L698 HydrophobicContact CD2-CD1 4.48Å; Y692-L698 HydrophobicContact CE1-CD1 4.02Å; Y692-L698 HydrophobicContact CE1-CD2 3.58Å; Y692-L698 HydrophobicContact CE1-CG 3.92Å; Y692-L698 HydrophobicContact CE2-CD1 4.03Å; Y692-W724 HydrophobicContact CD1-CH2 4.25Å; Y692-W724 AromaticContact CD2-CH2 3.93Å; Y692-W724 HydrophobicContact CD2-CH2 3.93Å; Y692-W724 AromaticContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CE2-CZ2 4.31Å; Y692-W724 AromaticContact CG-CH2 3.71Å; Y692-W724 HydrophobicContact CG-CH2 3.71Å; Y692-W724 AromaticContact CG-CZ2 3.85Å; Y692-W724 HydrophobicContact CG-CZ2 3.85Å |
| 693 | Q | 81 | Confident | 85.1 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | trans | -77.8 | 156.8 | -179.7 | -61.7 | -63.2 | -8.9 | 0 | 0 | 111.7 | G695 E696 | Q693-G695 PolarHBondContact O-N 2.84Å; Q693-E696 HydrophobicContact CB-CG 4.16Å; Q693-E696 PolarHBondContact N-OE2 2.96Å; Q693-E696 VanDerWaalsContact O-CB 3.32Å; Q693-E696 WeakPolarHBondContact O-CB 3.26Å; Q693-E696 WeakPolarHBondContact O-CG 3.5Å; Q693-E696 PolarHBondContact O-N 2.91Å | ||
| 694 | A | 75.1 | Confident | 84.9 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 130.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y671 C716 P718 | Y671-A694 HydrophobicContact CD2-CB 4.35Å; A694-C716 WeakPolarHBondContact CA-O 3.44Å; A694-P718 HydrophobicContact CB-CB 3.81Å; A694-P718 HydrophobicContact CB-CG 4.44Å |
| 695 | G | 79.4 | Confident | 84.4 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | -16.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q693 C716 | Q693-G695 PolarHBondContact O-N 2.84Å; G695-C716 PolarHBondContact N-O 2.9Å |
| 696 | E | 84.6 | Confident | 84.2 | Confident | 48 Ų | 48 | 76 Ų | 76 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | trans | -68.8 | 142.9 | 176.1 | -65.7 | -157.2 | 92.9 | 0 | 0 | 112 | K689 Y692 Q693 T715 C716 | K689-E696 IonicContact NZ-OE1 2.93Å; K689-E696 PolarHBondContact NZ-OE1 2.87Å; K689-E696 IonicContact NZ-OE2 2.68Å; K689-E696 PolarHBondContact NZ-OE2 2.85Å; Y692-E696 WeakPolarHBondContact CA-OE2 3.4Å; Q693-E696 HydrophobicContact CB-CG 4.16Å; Q693-E696 PolarHBondContact N-OE2 2.96Å; Q693-E696 VanDerWaalsContact O-CB 3.32Å; Q693-E696 WeakPolarHBondContact O-CB 3.26Å; Q693-E696 WeakPolarHBondContact O-CG 3.5Å; Q693-E696 PolarHBondContact O-N 2.91Å; E696-T715 WeakPolarHBondContact O-CA 3.41Å; E696-C716 PolarHBondContact O-N 2.87Å | ||
| 697 | S | 89.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.4 | -175 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | I714 T715 | S697-I714 CarbonylContact C-O 3.43Å; S697-I714 WeakPolarHBondContact CA-O 3.48Å; S697-T715 VanDerWaalsContact OG-CG2 3.26Å; S697-T715 WeakPolarHBondContact OG-CG2 3.27Å |
| 698 | L | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.9 | 174.9 | -80.9 | 177.9 | 0 | 0 | 0 | 110.4 | P677 L687 Y692 F700 T713 I714 W724 | P677-L698 HydrophobicContact CG-CD1 3.81Å; L687-L698 HydrophobicContact CB-CD2 4.22Å; L687-L698 VanDerWaalsContact O-CD2 3.31Å; L687-L698 WeakPolarHBondContact O-CD2 3.39Å; Y692-L698 HydrophobicContact CD1-CD1 4.48Å; Y692-L698 HydrophobicContact CD1-CD2 4.38Å; Y692-L698 HydrophobicContact CD1-CG 4.32Å; Y692-L698 HydrophobicContact CD2-CD1 4.48Å; Y692-L698 HydrophobicContact CE1-CD1 4.02Å; Y692-L698 HydrophobicContact CE1-CD2 3.58Å; Y692-L698 HydrophobicContact CE1-CG 3.92Å; Y692-L698 HydrophobicContact CE2-CD1 4.03Å; L698-F700 HydrophobicContact CB-CE2 4.47Å; L698-F700 HydrophobicContact CB-CZ 4.5Å; L698-T713 CarbonylContact O-C 3.38Å; L698-T713 VanDerWaalsContact O-CA 3.24Å; L698-T713 WeakPolarHBondContact O-CA 3Å; L698-T713 WeakPolarHBondContact O-CG2 3.32Å; L698-I714 HydrophobicContact CB-CG1 4.03Å; L698-I714 PolarHBondContact N-O 2.68Å; L698-I714 PolarHBondContact O-N 3.03Å; L698-W724 HydrophobicContact CB-CZ3 4.36Å; L698-W724 HydrophobicContact CD1-CH2 3.55Å; L698-W724 HydrophobicContact CD1-CZ2 3.89Å; L698-W724 HydrophobicContact CD1-CZ3 4.12Å; L698-W724 HydrophobicContact CG-CH2 3.88Å; L698-W724 HydrophobicContact CG-CZ3 4.21Å |
| 699 | R | 91.1 | Very high | 84.7 | Confident | 118 Ų | 118 | 73.1 Ų | 73.1 | 45% | 0.445 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.9 | 173.4 | 169.9 | 172.5 | -63 | 172.5 | 0.9 | 110.6 | Q685 T686 F701 V712 T713 | Q685-R699 CarbonylContact C-O 3.54Å; Q685-R699 WeakPolarHBondContact CA-O 3.49Å; T686-R699 HydrophobicContact CG2-CB 3.75Å; T686-R699 HydrophobicContact CG2-CG 4.17Å; T686-R699 PolarHBondContact N-O 2.96Å; T686-R699 PolarHBondContact OG1-N 2.95Å; T686-R699 PolarHBondContact OG1-O 2.61Å; R699-F701 HydrophobicContact CG-CE1 4.34Å; R699-F701 HydrophobicContact CG-CE2 4.01Å; R699-F701 HydrophobicContact CG-CZ 3.84Å; R699-V712 VanDerWaalsContact CA-O 3.32Å; R699-V712 WeakPolarHBondContact CA-O 3.48Å; R699-V712 HydrophobicContact CG-CG1 4.21Å; R699-V712 WeakPolarHBondContact CG-O 3.35Å; R699-T713 HydrophobicContact CB-CG2 4.38Å; R699-T713 PolarHBondContact NE-OG1 3.42Å; R699-T713 PolarHBondContact NH2-OG1 3.19Å |
| 700 | F | 91.2 | Very high | 85 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 155.3 | -179.4 | -59.2 | -82.8 | 0 | 0 | 0 | 111.9 | P677 P680 Y684 Q685 L698 L708 V712 I714 P728 P729 | P677-F700 HydrophobicContact CG-CZ 4.31Å; P680-F700 VanDerWaalsContact CD-CD1 3.42Å; P680-F700 HydrophobicContact CG-CB 4.45Å; P680-F700 HydrophobicContact CG-CD1 3.77Å; P680-F700 HydrophobicContact CG-CE1 4.3Å; P680-F700 HydrophobicContact CG-CG 4.25Å; Y684-F700 WeakPolarHBondContact O-CA 3.42Å; Q685-F700 HydrophobicContact CB-CD1 3.63Å; Q685-F700 HydrophobicContact CB-CE1 3.69Å; L698-F700 HydrophobicContact CB-CE2 4.47Å; L698-F700 HydrophobicContact CB-CZ 4.5Å; F700-L708 HydrophobicContact CB-CD1 4.29Å; F700-L708 WeakPolarHBondContact O-CD1 3.34Å; F700-V712 PolarHBondContact N-O 3.36Å; F700-I714 HydrophobicContact CE2-CD1 3.63Å; F700-I714 HydrophobicContact CE2-CG1 3.84Å; F700-I714 HydrophobicContact CE2-CG2 4.38Å; F700-I714 HydrophobicContact CZ-CD1 3.98Å; F700-P728 HydrophobicContact CE2-CB 4.47Å; F700-P728 HydrophobicContact CZ-CB 4.13Å; F700-P729 HydrophobicContact CB-CG 3.64Å; F700-P729 HydrophobicContact CD2-CG 3.66Å; F700-P729 HydrophobicContact CE2-CG 4.47Å; F700-P729 HydrophobicContact CG-CG 3.74Å |
| 701 | F | 90.1 | Very high | 85.5 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 34% | 0.342 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.4 | 175.2 | -57.9 | -80.1 | 0 | 0 | 0 | 109.3 | G683 Y684 T686 R699 | G683-F701 CarbonylContact C-O 3.45Å; G683-F701 WeakPolarHBondContact CA-O 3.46Å; Y684-F701 HydrophobicContact CD1-CB 4.05Å; Y684-F701 HydrophobicContact CD2-CB 4.38Å; Y684-F701 HydrophobicContact CD2-CD2 4.02Å; Y684-F701 HydrophobicContact CE1-CB 3.55Å; Y684-F701 HydrophobicContact CE1-CG 4.39Å; Y684-F701 HydrophobicContact CE2-CB 3.92Å; Y684-F701 AromaticContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CD2 3.42Å; Y684-F701 VanDerWaalsContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CE2 4.21Å; Y684-F701 AromaticContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CG-CB 4.43Å; Y684-F701 VanDerWaalsContact CZ-CB 3.47Å; Y684-F701 AromaticContact CZ-CD2 3.76Å; Y684-F701 AromaticContact CZ-CG 3.81Å; Y684-F701 PolarHBondContact N-O 3.47Å; Y684-F701 PolarHBondContact O-N 3.02Å; T686-F701 HydrophobicContact CG2-CE2 3.69Å; T686-F701 HydrophobicContact CG2-CZ 4.4Å; R699-F701 HydrophobicContact CG-CE1 4.34Å; R699-F701 HydrophobicContact CG-CE2 4.01Å; R699-F701 HydrophobicContact CG-CZ 3.84Å |
| 702 | C | 91.1 | Very high | 85.8 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 156 | 173 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | F706 L708 C731 | C702-F706 HydrophobicContact CB-CB 3.96Å; C702-L708 VanDerWaalsContact SG-CA 3.59Å; C702-L708 VanDerWaalsContact SG-CB 3.56Å; C702-C731 WeakPolarHBondContact CA-SG 3.48Å; C702-C731 HydrophobicContact CB-CB 3.72Å; C702-C731 WeakPolarHBondContact CB-SG 3.48Å; C702-C731 VanDerWaalsContact SG-CA 3.51Å; C702-C731 WeakPolarHBondContact SG-CB 3.16Å; C702-C731 CovalentContact SG-SG 2.03Å; C702-C731 PolarHBondContact SG-SG 3.49Å |
| 703 | Y | 87.3 | Confident | 86 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | trans | -74.9 | 164.6 | 171 | -62.4 | -57.4 | 0 | 0 | 0 | 111.9 | N682 Y684 G705 F706 | N682-Y703 VanDerWaalsContact O-CD2 3.28Å; N682-Y703 WeakPolarHBondContact O-CD2 3.48Å; N682-Y703 PolarHBondContact O-N 2.71Å; Y684-Y703 HydrophobicContact CD1-CD1 4.05Å; Y684-Y703 AromaticContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CE1-CD1 4.29Å; Y684-Y703 HydrophobicContact CE1-CE1 4.09Å; Y684-Y703 HydrophobicContact CG-CE1 4.45Å; Y703-G705 PolarHBondContact O-N 2.83Å; Y703-F706 WeakPolarHBondContact O-CB 3.29Å; Y703-F706 PolarHBondContact O-N 3.03Å; Y703-F706 VanDerWaalsContact O-N 3.15Å | ||
| 704 | E | 83.2 | Confident | 86.5 | Confident | 195 Ų | 195 | 66 Ų | 66 | 91% | 0.911 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138 | -177.1 | -62.6 | -169.9 | 155.6 | 0 | 0 | 112.4 | ||
| 705 | G | 76.3 | Confident | 87.2 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -5.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y703 T734 | Y703-G705 PolarHBondContact O-N 2.83Å; G705-T734 PolarHBondContact O-N 3.2Å; G705-T734 VanDerWaalsContact O-N 3.16Å; G705-T734 PolarHBondContact O-OG1 2.89Å |
| 706 | F | 84.9 | Confident | 87.6 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 25% | 0.254 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.5 | 177.4 | -61 | -103.5 | 0 | 0 | 0 | 112.4 | N682 C702 Y703 C731 K732 V733 | N682-F706 HydrophobicContact CB-CD1 3.73Å; N682-F706 HydrophobicContact CB-CD2 4.12Å; N682-F706 HydrophobicContact CB-CE1 3.52Å; N682-F706 HydrophobicContact CB-CE2 3.94Å; N682-F706 HydrophobicContact CB-CG 4.04Å; N682-F706 HydrophobicContact CB-CZ 3.63Å; N682-F706 VanDerWaalsContact CG-CE1 3.44Å; N682-F706 VanDerWaalsContact CG-CZ 3.42Å; C702-F706 HydrophobicContact CB-CB 3.96Å; Y703-F706 WeakPolarHBondContact O-CB 3.29Å; Y703-F706 PolarHBondContact O-N 3.03Å; Y703-F706 VanDerWaalsContact O-N 3.15Å; F706-C731 HydrophobicContact CB-CB 4Å; F706-C731 HydrophobicContact CD1-CB 4.34Å; F706-C731 HydrophobicContact CG-CB 4.47Å; F706-K732 CarbonylContact C-O 3.53Å; F706-K732 VanDerWaalsContact CA-O 3.28Å; F706-K732 WeakPolarHBondContact CA-O 3.38Å; F706-V733 HydrophobicContact CD1-CG2 3.9Å; F706-V733 HydrophobicContact CE1-CG2 3.45Å; F706-V733 VanDerWaalsContact CE1-CG2 3.45Å; F706-V733 HydrophobicContact CZ-CG2 3.94Å |
| 707 | E | 83.4 | Confident | 87.6 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.6 | 174.9 | -173.7 | 171.7 | -161.2 | 0 | 0 | 110.8 | C731 K732 T734 | E707-C731 WeakPolarHBondContact O-CA 3.44Å; E707-K732 PolarHBondContact N-O 3.05Å; E707-K732 PolarHBondContact O-N 3.29Å; E707-T734 HydrophobicContact CB-CG2 4.11Å |
| 708 | L | 88.1 | Confident | 87 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 23% | 0.225 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.8 | -178.4 | -168.6 | 158.3 | 0 | 0 | 0 | 110.6 | F700 C702 V712 P729 | F700-L708 HydrophobicContact CB-CD1 4.29Å; F700-L708 WeakPolarHBondContact O-CD1 3.34Å; C702-L708 VanDerWaalsContact SG-CA 3.59Å; C702-L708 VanDerWaalsContact SG-CB 3.56Å; L708-V712 HydrophobicContact CD1-CG2 4.4Å; L708-V712 HydrophobicContact CD2-CG2 3.93Å; L708-P729 HydrophobicContact CD1-CG 4.29Å; L708-P729 HydrophobicContact CD2-CB 3.49Å; L708-P729 VanDerWaalsContact CD2-CB 3.49Å; L708-P729 HydrophobicContact CD2-CG 3.99Å; L708-P729 HydrophobicContact CG-CB 3.95Å; L708-P729 HydrophobicContact CG-CG 4.17Å |
| 709 | I | 87.8 | Confident | 85.9 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 107.2 | 179.2 | -54.2 | 178.9 | 0 | 0 | 0 | 109.4 | P729 L730 K732 | I709-P729 WeakPolarHBondContact O-CA 3.25Å; I709-L730 PolarHBondContact N-O 3.28Å; I709-L730 PolarHBondContact O-N 3.24Å; I709-K732 HydrophobicContact CD1-CB 4.15Å; I709-K732 HydrophobicContact CD1-CD 3.7Å; I709-K732 HydrophobicContact CD1-CG 3.96Å |
| 710 | G | 86.7 | Confident | 84.5 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 138 | -166.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 711 | E | 89.3 | Confident | 83.3 | Confident | 114 Ų | 114 | 70 Ų | 70 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | trans | -74.7 | 132.3 | 174.2 | -86.9 | -61.8 | 167.7 | 0 | 0 | 111.7 | T713 I714 S726 P729 | E711-T713 VanDerWaalsContact C-N 3.31Å; E711-I714 HydrophobicContact CB-CG2 4.06Å; E711-S726 WeakPolarHBondContact CB-OG 3.18Å; E711-P729 WeakPolarHBondContact O-CG 3.42Å | ||
| 712 | V | 88.4 | Confident | 82.7 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -73.8 | -27.9 | 179.9 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | R699 F700 L708 | R699-V712 VanDerWaalsContact CA-O 3.32Å; R699-V712 WeakPolarHBondContact CA-O 3.48Å; R699-V712 HydrophobicContact CG-CG1 4.21Å; R699-V712 WeakPolarHBondContact CG-O 3.35Å; F700-V712 PolarHBondContact N-O 3.36Å; L708-V712 HydrophobicContact CD1-CG2 4.4Å; L708-V712 HydrophobicContact CD2-CG2 3.93Å |
| 713 | T | 89.9 | Confident | 82.4 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 123.5 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | L698 R699 E711 | L698-T713 CarbonylContact O-C 3.38Å; L698-T713 VanDerWaalsContact O-CA 3.24Å; L698-T713 WeakPolarHBondContact O-CA 3Å; L698-T713 WeakPolarHBondContact O-CG2 3.32Å; R699-T713 HydrophobicContact CB-CG2 4.38Å; R699-T713 PolarHBondContact NE-OG1 3.42Å; R699-T713 PolarHBondContact NH2-OG1 3.19Å; E711-T713 VanDerWaalsContact C-N 3.31Å |
| 714 | I | 90.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 150 | 179.5 | 70.9 | 176.2 | 0 | 0 | 0 | 109.8 | P677 S697 L698 F700 E711 W724 S726 | P677-I714 HydrophobicContact CB-CD1 4.27Å; P677-I714 HydrophobicContact CG-CD1 3.78Å; S697-I714 CarbonylContact C-O 3.43Å; S697-I714 WeakPolarHBondContact CA-O 3.48Å; L698-I714 HydrophobicContact CB-CG1 4.03Å; L698-I714 PolarHBondContact N-O 2.68Å; L698-I714 PolarHBondContact O-N 3.03Å; F700-I714 HydrophobicContact CE2-CD1 3.63Å; F700-I714 HydrophobicContact CE2-CG1 3.84Å; F700-I714 HydrophobicContact CE2-CG2 4.38Å; F700-I714 HydrophobicContact CZ-CD1 3.98Å; E711-I714 HydrophobicContact CB-CG2 4.06Å; I714-W724 HydrophobicContact CB-CE3 4.37Å; I714-W724 HydrophobicContact CD1-CB 4.37Å; I714-W724 HydrophobicContact CD1-CD2 3.99Å; I714-W724 HydrophobicContact CD1-CE3 3.85Å; I714-W724 HydrophobicContact CD1-CG 4.21Å; I714-W724 HydrophobicContact CG1-CD2 4.34Å; I714-W724 HydrophobicContact CG1-CE3 3.68Å; I714-W724 HydrophobicContact CG1-CZ3 4.12Å; I714-S726 WeakPolarHBondContact CG2-OG 3.45Å |
| 715 | T | 90 | Very high | 82.7 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.6 | -175.2 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | E696 S697 V717 W724 T725 | E696-T715 WeakPolarHBondContact O-CA 3.41Å; S697-T715 VanDerWaalsContact OG-CG2 3.26Å; S697-T715 WeakPolarHBondContact OG-CG2 3.27Å; T715-V717 PolarHBondContact O-N 3.09Å; T715-W724 WeakPolarHBondContact O-CA 3.09Å; T715-T725 PolarHBondContact N-OG1 3.02Å; T715-T725 PolarHBondContact O-N 3.36Å; T715-T725 WeakPolarHBondContact OG1-CG2 3.17Å |
| 716 | C | 88.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 106.2 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | C674 A694 G695 E696 W724 | C674-C716 HydrophobicContact CB-CB 3.81Å; C674-C716 WeakPolarHBondContact CB-SG 3.3Å; C674-C716 VanDerWaalsContact SG-CA 3.54Å; C674-C716 WeakPolarHBondContact SG-CB 3.34Å; C674-C716 CovalentContact SG-SG 2.03Å; C674-C716 PolarHBondContact SG-SG 3.05Å; A694-C716 WeakPolarHBondContact CA-O 3.44Å; G695-C716 PolarHBondContact N-O 2.9Å; E696-C716 PolarHBondContact O-N 2.87Å; C716-W724 HydrophobicContact CB-CE3 4.16Å; C716-W724 HydrophobicContact CB-CH2 4.04Å; C716-W724 HydrophobicContact CB-CZ3 3.86Å |
| 717 | V | 84.4 | Confident | 83.3 | Confident | 63 Ų | 63 | 67 Ų | 67 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.9 | 177.1 | -73.9 | 0 | 0 | 0 | 0 | 111.1 | T715 S722 Q723 T725 | T715-V717 PolarHBondContact O-N 3.09Å; V717-S722 WeakPolarHBondContact O-CA 3.36Å; V717-S722 WeakPolarHBondContact O-CB 3.34Å; V717-Q723 WeakPolarHBondContact CG2-O 3.3Å; V717-Q723 PolarHBondContact N-O 3.14Å; V717-Q723 PolarHBondContact O-N 3.33Å; V717-T725 HydrophobicContact CG1-CG2 3.69Å; V717-T725 HydrophobicContact CG2-CG2 4.44Å |
| 718 | P | 76.7 | Confident | 83.4 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | trans | -62.8 | 135.5 | -178.2 | 24.1 | -32.4 | 0 | 0 | 0 | 111.6 | Y671 A694 | Y671-P718 HydrophobicContact CD1-CB 3.75Å; Y671-P718 HydrophobicContact CD2-CB 4.25Å; Y671-P718 HydrophobicContact CE1-CB 3.55Å; Y671-P718 HydrophobicContact CE2-CB 4.06Å; Y671-P718 HydrophobicContact CG-CB 4.1Å; A694-P718 HydrophobicContact CB-CB 3.81Å; A694-P718 HydrophobicContact CB-CG 4.44Å | ||
| 719 | G | 64.8 | Low | 83.4 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | trans | -171.9 | -171.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P721 S722 | G719-P721 CarbonylContact C-O 3.3Å; G719-P721 VanDerWaalsContact C-O 3.3Å; G719-P721 CarbonylContact O-C 3.55Å; G719-S722 PolarHBondContact N-OG 3.44Å; G719-S722 PolarHBondContact O-N 3.15Å; G719-S722 PolarHBondContact O-OG 2.92Å | ||
| 720 | H | 61.5 | Low | 83.5 | Confident | 133 Ų | 133 | 62.3 Ų | 62.3 | 62% | 0.616 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | 88.3 | 174.9 | -66.1 | -63.4 | 0 | 0 | 0 | 110.4 | ||
| 721 | P | 67.6 | Low | 83.7 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 51% | 0.506 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -73.3 | 163.6 | -6.2 | 33.1 | -36.9 | 0 | 0 | 0 | 112.5 | G719 | G719-P721 CarbonylContact C-O 3.3Å; G719-P721 VanDerWaalsContact C-O 3.3Å; G719-P721 CarbonylContact O-C 3.55Å |
| 722 | S | 76.9 | Confident | 83.5 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | trans | -65.4 | 146 | 168.2 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | E672 V717 G719 | E672-S722 WeakPolarHBondContact O-CB 3.1Å; E672-S722 PolarHBondContact O-OG 2.84Å; V717-S722 WeakPolarHBondContact O-CA 3.36Å; V717-S722 WeakPolarHBondContact O-CB 3.34Å; G719-S722 PolarHBondContact N-OG 3.44Å; G719-S722 PolarHBondContact O-N 3.15Å; G719-S722 PolarHBondContact O-OG 2.92Å | ||
| 723 | Q | 83.8 | Confident | 83.2 | Confident | 124 Ų | 124 | 62 Ų | 62 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 157.9 | -172.6 | -60.6 | -174.5 | 23.6 | 0 | 0 | 111.7 | V717 | V717-Q723 WeakPolarHBondContact CG2-O 3.3Å; V717-Q723 PolarHBondContact N-O 3.14Å; V717-Q723 PolarHBondContact O-N 3.33Å |
| 724 | W | 88.1 | Confident | 81.9 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 141.2 | 170 | -66.1 | 105.3 | 0 | 0 | 0 | 110.3 | C674 L675 P677 Y692 L698 I714 T715 C716 S726 | C674-W724 HydrophobicContact CB-CD2 4.34Å; C674-W724 HydrophobicContact CB-CH2 4.47Å; C674-W724 HydrophobicContact CB-CZ2 3.7Å; L675-W724 PolarHBondContact O-NE1 3.19Å; P677-W724 HydrophobicContact CG-CD2 4.35Å; P677-W724 HydrophobicContact CG-CZ2 4.19Å; Y692-W724 HydrophobicContact CD1-CH2 4.25Å; Y692-W724 AromaticContact CD2-CH2 3.93Å; Y692-W724 HydrophobicContact CD2-CH2 3.93Å; Y692-W724 AromaticContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CE2-CZ2 4.31Å; Y692-W724 AromaticContact CG-CH2 3.71Å; Y692-W724 HydrophobicContact CG-CH2 3.71Å; Y692-W724 AromaticContact CG-CZ2 3.85Å; Y692-W724 HydrophobicContact CG-CZ2 3.85Å; L698-W724 HydrophobicContact CB-CZ3 4.36Å; L698-W724 HydrophobicContact CD1-CH2 3.55Å; L698-W724 HydrophobicContact CD1-CZ2 3.89Å; L698-W724 HydrophobicContact CD1-CZ3 4.12Å; L698-W724 HydrophobicContact CG-CH2 3.88Å; L698-W724 HydrophobicContact CG-CZ3 4.21Å; I714-W724 HydrophobicContact CB-CE3 4.37Å; I714-W724 HydrophobicContact CD1-CB 4.37Å; I714-W724 HydrophobicContact CD1-CD2 3.99Å; I714-W724 HydrophobicContact CD1-CE3 3.85Å; I714-W724 HydrophobicContact CD1-CG 4.21Å; I714-W724 HydrophobicContact CG1-CD2 4.34Å; I714-W724 HydrophobicContact CG1-CE3 3.68Å; I714-W724 HydrophobicContact CG1-CZ3 4.12Å; T715-W724 WeakPolarHBondContact O-CA 3.09Å; C716-W724 HydrophobicContact CB-CE3 4.16Å; C716-W724 HydrophobicContact CB-CH2 4.04Å; C716-W724 HydrophobicContact CB-CZ3 3.86Å; W724-S726 WeakPolarHBondContact CB-O 3.41Å; W724-S726 PolarHBondContact O-N 2.86Å |
| 725 | T | 89.5 | Confident | 80.1 | Confident | 79 Ų | 79 | 72 Ų | 72 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -60.2 | -24.3 | 177.2 | 46.7 | 0 | 0 | 0 | 0 | 114.3 | T715 V717 | T715-T725 PolarHBondContact N-OG1 3.02Å; T715-T725 PolarHBondContact O-N 3.36Å; T715-T725 WeakPolarHBondContact OG1-CG2 3.17Å; V717-T725 HydrophobicContact CG1-CG2 3.69Å; V717-T725 HydrophobicContact CG2-CG2 4.44Å |
| 726 | S | 86.9 | Confident | 78.6 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -157 | 169.4 | 174.6 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | E711 I714 W724 | E711-S726 WeakPolarHBondContact CB-OG 3.18Å; I714-S726 WeakPolarHBondContact CG2-OG 3.45Å; W724-S726 WeakPolarHBondContact CB-O 3.41Å; W724-S726 PolarHBondContact O-N 2.86Å |
| 727 | Q | 86.9 | Confident | 76.3 | Confident | 171 Ų | 171 | 82 Ų | 82 | 80% | 0.799 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -74 | 153.6 | 175.6 | -68.4 | -177.8 | -2.9 | 0 | 0 | 111.1 | ||
| 728 | P | 85.4 | Confident | 74 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 32% | 0.318 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 142.2 | 177.1 | 26.3 | -35.8 | 0 | 0 | 0 | 111.4 | P677 F700 | P677-P728 HydrophobicContact CB-CG 4.47Å; F700-P728 HydrophobicContact CE2-CB 4.47Å; F700-P728 HydrophobicContact CZ-CB 4.13Å |
| 729 | P | 88.6 | Confident | 72.7 | Confident | 3 Ų | 3 | 87.8 Ų | 87.8 | 2% | 0.019 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 168.4 | -177.7 | 31.2 | -36.2 | 0 | 0 | 0 | 112.5 | P680 F700 L708 I709 E711 | P680-P729 WeakPolarHBondContact CB-O 3.43Å; P680-P729 HydrophobicContact CG-CG 4.23Å; P680-P729 WeakPolarHBondContact CG-O 3.21Å; F700-P729 HydrophobicContact CB-CG 3.64Å; F700-P729 HydrophobicContact CD2-CG 3.66Å; F700-P729 HydrophobicContact CE2-CG 4.47Å; F700-P729 HydrophobicContact CG-CG 3.74Å; L708-P729 HydrophobicContact CD1-CG 4.29Å; L708-P729 HydrophobicContact CD2-CB 3.49Å; L708-P729 VanDerWaalsContact CD2-CB 3.49Å; L708-P729 HydrophobicContact CD2-CG 3.99Å; L708-P729 HydrophobicContact CG-CB 3.95Å; L708-P729 HydrophobicContact CG-CG 4.17Å; I709-P729 WeakPolarHBondContact O-CA 3.25Å; E711-P729 WeakPolarHBondContact O-CG 3.42Å |
| 730 | L | 90.3 | Very high | 71.4 | Confident | 102 Ų | 102 | 91.9 Ų | 91.9 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.8 | 179.9 | -63.7 | 172.5 | 0 | 0 | 0 | 111.1 | I709 | I709-L730 PolarHBondContact N-O 3.28Å; I709-L730 PolarHBondContact O-N 3.24Å |
| 731 | C | 89.4 | Confident | 70.4 | Confident | 15 Ų | 15 | 97.7 Ų | 97.7 | 10% | 0.101 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.2 | 173.5 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | E681 N682 C702 F706 E707 | E681-C731 WeakPolarHBondContact O-CB 3.32Å; N682-C731 HydrophobicContact CB-CB 4.38Å; C702-C731 WeakPolarHBondContact CA-SG 3.48Å; C702-C731 HydrophobicContact CB-CB 3.72Å; C702-C731 WeakPolarHBondContact CB-SG 3.48Å; C702-C731 VanDerWaalsContact SG-CA 3.51Å; C702-C731 WeakPolarHBondContact SG-CB 3.16Å; C702-C731 CovalentContact SG-SG 2.03Å; C702-C731 PolarHBondContact SG-SG 3.49Å; F706-C731 HydrophobicContact CB-CB 4Å; F706-C731 HydrophobicContact CD1-CB 4.34Å; F706-C731 HydrophobicContact CG-CB 4.47Å; E707-C731 WeakPolarHBondContact O-CA 3.44Å |
| 732 | K | 85.6 | Confident | 69.1 | Low | 115 Ų | 115 | 102.9 Ų | 102.9 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.5 | 179.2 | -62.9 | -166.1 | -168.5 | 171.3 | 0 | 112.6 | F706 E707 I709 | F706-K732 CarbonylContact C-O 3.53Å; F706-K732 VanDerWaalsContact CA-O 3.28Å; F706-K732 WeakPolarHBondContact CA-O 3.38Å; E707-K732 PolarHBondContact N-O 3.05Å; E707-K732 PolarHBondContact O-N 3.29Å; I709-K732 HydrophobicContact CD1-CB 4.15Å; I709-K732 HydrophobicContact CD1-CD 3.7Å; I709-K732 HydrophobicContact CD1-CG 3.96Å |
| 733 | V | 81.3 | Confident | 67.2 | Low | 98 Ų | 98 | 109.4 Ų | 109.4 | 59% | 0.594 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.9 | 132.8 | 179.8 | -177 | 0 | 0 | 0 | 0 | 111 | F706 Q735 | F706-V733 HydrophobicContact CD1-CG2 3.9Å; F706-V733 HydrophobicContact CE1-CG2 3.45Å; F706-V733 VanDerWaalsContact CE1-CG2 3.45Å; F706-V733 HydrophobicContact CZ-CG2 3.94Å; V733-Q735 PolarHBondContact O-N 2.6Å |
| 734 | T | 64.1 | Low | 65.2 | Low | 68 Ų | 68 | 111.9 Ų | 111.9 | 42% | 0.417 | 59% | 0.586 | S | S | . | * | trans | -72.3 | 113.7 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | G705 E707 | G705-T734 PolarHBondContact O-N 3.2Å; G705-T734 VanDerWaalsContact O-N 3.16Å; G705-T734 PolarHBondContact O-OG1 2.89Å; E707-T734 HydrophobicContact CB-CG2 4.11Å | ||
| 735 | Q | 52.8 | Low | 63.4 | Low | 181 Ų | 181 | 114 Ų | 114 | 85% | 0.846 | 62% | 0.622 | S | S | * | * | trans | -75.6 | 129.7 | -179.1 | -71.7 | -170.5 | -11 | 0 | 0 | 112 | V733 | V733-Q735 PolarHBondContact O-N 2.6Š| ||
| 736 | T | 57.7 | Low | 61.3 | Low | 132 Ų | 132 | 113.3 Ų | 113.3 | 81% | 0.81 | 63% | 0.631 | S | S | * | * | trans | -120.8 | 71.8 | -175.4 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 737 | T | 40.5 | Very low | 59.8 | Low | 123 Ų | 123 | 117.4 Ų | 117.4 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -145.8 | 144.6 | 168.9 | 50.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 738 | D | 35 | Very low | 58.1 | Low | 138 Ų | 138 | 116.8 Ų | 116.8 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | cis | -149.8 | 155.9 | 11.7 | -162.3 | 52.8 | 0 | 0 | 0 | 109.8 | S740 | D738-S740 PolarHBondContact O-N 2.87Š| ||
| 739 | P | 49.3 | Very low | 56.5 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | trans | -95.1 | 103.8 | -163.9 | 34.6 | -31.3 | 0 | 0 | 0 | 114.5 | ||||
| 740 | S | 38 | Very low | 54.9 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -153.1 | 41.6 | 172.1 | 52.7 | 0 | 0 | 0 | 0 | 117.3 | D738 | D738-S740 PolarHBondContact O-N 2.87Š| ||
| 741 | R | 40.3 | Very low | 53.1 | Low | 254 Ų | 254 | 119.7 Ų | 119.7 | 96% | 0.958 | 68% | 0.682 | S | S | * | * | trans | -133.9 | 87.2 | 154.6 | -79 | -153.5 | 169.6 | -147.4 | -5.2 | 113.2 | ||||
| 742 | Q | 40.8 | Very low | 51.5 | Low | 188 Ų | 188 | 124.5 Ų | 124.5 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | -95.1 | 105.5 | 168 | 177.8 | -171.4 | 5.6 | 0 | 0 | 109.7 | ||||
| 743 | L | 37.4 | Very low | 50.2 | Low | 147 Ų | 147 | 124.2 Ų | 124.2 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | -164.6 | 153.4 | 144.5 | -133 | 72 | 0 | 0 | 0 | 111.7 | ||||
| 744 | E | 41.9 | Very low | 49.1 | Very low | 176 Ų | 176 | 125.2 Ų | 125.2 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | 52.3 | 69.9 | 161.5 | -67.5 | 176.8 | 127.3 | 0 | 0 | 117.9 | G746 | E744-G746 PolarHBondContact O-N 2.83Š| ||
| 745 | G | 50.2 | Low | 48.9 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 93% | 0.928 | 71% | 0.713 | S | S | * | * | trans | -66.7 | 117.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 746 | G | 45.4 | Very low | 49.5 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | trans | -162.7 | 155.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E744 | E744-G746 PolarHBondContact O-N 2.83Š| ||
| 747 | N | 54.5 | Low | 49.9 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 66% | 0.658 | 67% | 0.673 | S | S | * | * | trans | 69.1 | 27.5 | 163.3 | -61.7 | -19.8 | 0 | 0 | 0 | 120.4 | A749 L750 | N747-A749 PolarHBondContact O-N 3.37Å; N747-L750 HydrophobicContact CB-CD1 3.9Å; N747-L750 PolarHBondContact O-N 2.9Å; N747-L750 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 748 | L | 51.5 | Low | 51.2 | Low | 158 Ų | 158 | 116.2 Ų | 116.2 | 83% | 0.827 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -17.9 | 152.7 | -100.6 | 165.9 | 0 | 0 | 0 | 112.7 | ||
| 749 | A | 51.4 | Low | 52.9 | Low | 55 Ų | 55 | 114.4 Ų | 114.4 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -33.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N747 A751 I752 L753 | N747-A749 PolarHBondContact O-N 3.37Å; A749-A751 PolarHBondContact O-N 3.19Å; A749-I752 PolarHBondContact O-N 2.95Å; A749-L753 HydrophobicContact CB-CD1 4.12Å; A749-L753 WeakPolarHBondContact O-CB 3.07Å; A749-L753 VanDerWaalsContact O-CG 3.29Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 2.95Å |
| 750 | L | 54.6 | Low | 53.9 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.6 | -33.5 | -173 | -98.8 | 95.6 | 0 | 0 | 0 | 113.3 | N747 I752 L753 L754 | N747-L750 HydrophobicContact CB-CD1 3.9Å; N747-L750 PolarHBondContact O-N 2.9Å; N747-L750 WeakPolarHBondContact OD1-CD1 3.42Å; L750-I752 PolarHBondContact O-N 2.91Å; L750-L753 PolarHBondContact O-N 2.04Å; L750-L754 WeakPolarHBondContact O-CB 3.4Å; L750-L754 WeakPolarHBondContact O-CG 3.41Å; L750-L754 PolarHBondContact O-N 2.9Å |
| 751 | A | 54.1 | Low | 55.4 | Low | 72 Ų | 72 | 113.9 Ų | 113.9 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.9 | -30.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | A749 P755 | A749-A751 PolarHBondContact O-N 3.19Å; A751-P755 VanDerWaalsContact O-CD 3.26Å; A751-P755 WeakPolarHBondContact O-CD 3.14Å |
| 752 | I | 56.1 | Low | 56.8 | Low | 117 Ų | 117 | 107 Ų | 107 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -93.4 | -34.7 | 179.1 | -57.2 | 174.5 | 0 | 0 | 0 | 110.9 | A749 L750 P755 L756 | A749-I752 PolarHBondContact O-N 2.95Å; L750-I752 PolarHBondContact O-N 2.91Å; I752-P755 WeakPolarHBondContact O-CD 3.28Å; I752-P755 WeakPolarHBondContact O-CG 3.46Å; I752-L756 HydrophobicContact CG2-CD1 4.11Å |
| 753 | L | 56.9 | Low | 58.1 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.9 | -26.7 | -179.7 | -70.2 | 173.2 | 0 | 0 | 0 | 114.1 | A749 L750 G757 | A749-L753 HydrophobicContact CB-CD1 4.12Å; A749-L753 WeakPolarHBondContact O-CB 3.07Å; A749-L753 VanDerWaalsContact O-CG 3.29Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 2.95Å; L750-L753 PolarHBondContact O-N 2.04Å; L753-G757 WeakPolarHBondContact O-CA 3.48Å; L753-G757 PolarHBondContact O-N 2.87Å |
| 754 | L | 59.1 | Low | 59.4 | Low | 119 Ų | 119 | 95.8 Ų | 95.8 | 62% | 0.623 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.4 | -53 | 176.2 | -80.3 | 166.3 | 0 | 0 | 0 | 113.8 | L750 G757 L758 | L750-L754 WeakPolarHBondContact O-CB 3.4Å; L750-L754 WeakPolarHBondContact O-CG 3.41Å; L750-L754 PolarHBondContact O-N 2.9Å; L754-G757 PolarHBondContact O-N 2.87Å; L754-L758 PolarHBondContact O-N 2.99Å |
| 755 | P | 59.9 | Low | 60.7 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 49% | 0.494 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -39 | 177.2 | 23.8 | -32.9 | 0 | 0 | 0 | 112.7 | A751 I752 L758 V759 | A751-P755 VanDerWaalsContact O-CD 3.26Å; A751-P755 WeakPolarHBondContact O-CD 3.14Å; I752-P755 WeakPolarHBondContact O-CD 3.28Å; I752-P755 WeakPolarHBondContact O-CG 3.46Å; P755-L758 PolarHBondContact O-N 3.44Å; P755-V759 WeakPolarHBondContact O-CG2 3.48Å; P755-V759 PolarHBondContact O-N 2.75Å; P755-V759 VanDerWaalsContact O-N 3.09Å |
| 756 | L | 65.8 | Low | 61.5 | Low | 96 Ų | 96 | 89.7 Ų | 89.7 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63 | -42.1 | 174.5 | -73.1 | 172.9 | 0 | 0 | 0 | 112 | I752 L758 V759 I760 | I752-L756 HydrophobicContact CG2-CD1 4.11Å; L756-L758 PolarHBondContact O-N 3.44Å; L756-V759 PolarHBondContact O-N 2.97Å; L756-I760 VanDerWaalsContact O-CG1 3.3Å; L756-I760 WeakPolarHBondContact O-CG1 3.45Å; L756-I760 PolarHBondContact O-N 3.07Å |
| 757 | G | 65.2 | Low | 62.3 | Low | 30 Ų | 30 | 94.4 Ų | 94.4 | 31% | 0.309 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L753 L754 V759 I760 V761 | L753-G757 WeakPolarHBondContact O-CA 3.48Å; L753-G757 PolarHBondContact O-N 2.87Å; L754-G757 PolarHBondContact O-N 2.87Å; G757-V759 PolarHBondContact O-N 3.49Å; G757-I760 PolarHBondContact O-N 2.89Å; G757-V761 WeakPolarHBondContact O-CB 3.44Å; G757-V761 WeakPolarHBondContact O-CG2 3.24Å; G757-V761 PolarHBondContact O-N 3.07Å |
| 758 | L | 68.3 | Low | 62.6 | Low | 113 Ų | 113 | 93.7 Ų | 93.7 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 175.6 | -159.1 | 91.8 | 0 | 0 | 0 | 111.6 | L754 P755 L756 I760 V761 L762 | L754-L758 PolarHBondContact O-N 2.99Å; P755-L758 PolarHBondContact O-N 3.44Å; L756-L758 PolarHBondContact O-N 3.44Å; L758-I760 VanDerWaalsContact C-N 3.35Å; L758-I760 PolarHBondContact O-N 3.37Å; L758-V761 PolarHBondContact O-N 2.69Å; L758-L762 HydrophobicContact CD2-CD1 4.21Å; L758-L762 HydrophobicContact CG-CD1 4.28Å; L758-L762 WeakPolarHBondContact O-CB 3.35Å; L758-L762 WeakPolarHBondContact O-CG 3.49Å; L758-L762 PolarHBondContact O-N 2.89Å |
| 759 | V | 70 | Confident | 63.1 | Low | 100 Ų | 100 | 94.2 Ų | 94.2 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.3 | P755 L756 G757 G763 | P755-V759 WeakPolarHBondContact O-CG2 3.48Å; P755-V759 PolarHBondContact O-N 2.75Å; P755-V759 VanDerWaalsContact O-N 3.09Å; L756-V759 PolarHBondContact O-N 2.97Å; G757-V759 PolarHBondContact O-N 3.49Å; V759-G763 PolarHBondContact O-N 2.85Å |
| 760 | I | 70.3 | Confident | 63.4 | Low | 118 Ų | 118 | 99.2 Ų | 99.2 | 61% | 0.605 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 176.8 | -68.6 | 164 | 0 | 0 | 0 | 111.5 | L756 G757 L758 S764 | L756-I760 VanDerWaalsContact O-CG1 3.3Å; L756-I760 WeakPolarHBondContact O-CG1 3.45Å; L756-I760 PolarHBondContact O-N 3.07Å; G757-I760 PolarHBondContact O-N 2.89Å; L758-I760 VanDerWaalsContact C-N 3.35Å; L758-I760 PolarHBondContact O-N 3.37Å; I760-S764 VanDerWaalsContact O-CB 3.29Å; I760-S764 WeakPolarHBondContact O-CB 3.43Å; I760-S764 PolarHBondContact O-N 2.9Å; I760-S764 PolarHBondContact O-OG 3.05Å |
| 761 | V | 70.6 | Confident | 63.6 | Low | 99 Ų | 99 | 97.7 Ų | 97.7 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 176.1 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | G757 L758 S764 G765 | G757-V761 WeakPolarHBondContact O-CB 3.44Å; G757-V761 WeakPolarHBondContact O-CG2 3.24Å; G757-V761 PolarHBondContact O-N 3.07Å; L758-V761 PolarHBondContact O-N 2.69Å; V761-S764 WeakPolarHBondContact CA-OG 3.27Å; V761-S764 PolarHBondContact O-OG 2.83Å; V761-S764 VanDerWaalsContact O-OG 3.14Å; V761-G765 PolarHBondContact O-N 2.54Å |
| 762 | L | 67.9 | Low | 63.5 | Low | 111 Ų | 111 | 103 Ų | 103 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 176.2 | -69 | 170 | 0 | 0 | 0 | 111.7 | L758 G765 V766 | L758-L762 HydrophobicContact CD2-CD1 4.21Å; L758-L762 HydrophobicContact CG-CD1 4.28Å; L758-L762 WeakPolarHBondContact O-CB 3.35Å; L758-L762 WeakPolarHBondContact O-CG 3.49Å; L758-L762 PolarHBondContact O-N 2.89Å; L762-G765 PolarHBondContact O-N 2.78Å; L762-V766 WeakPolarHBondContact O-CG2 3.46Å; L762-V766 PolarHBondContact O-N 2.93Å |
| 763 | G | 68.8 | Low | 63.5 | Low | 43 Ų | 43 | 102.8 Ų | 102.8 | 44% | 0.443 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V759 V766 Y767 | V759-G763 PolarHBondContact O-N 2.85Å; G763-V766 PolarHBondContact O-N 2.89Å; G763-Y767 WeakPolarHBondContact O-CB 3.32Å; G763-Y767 PolarHBondContact O-N 2.91Å |
| 764 | S | 65.7 | Low | 63.3 | Low | 55 Ų | 55 | 104 Ų | 104 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.7 | -35.6 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | I760 V761 Y767 I768 | I760-S764 VanDerWaalsContact O-CB 3.29Å; I760-S764 WeakPolarHBondContact O-CB 3.43Å; I760-S764 PolarHBondContact O-N 2.9Å; I760-S764 PolarHBondContact O-OG 3.05Å; V761-S764 WeakPolarHBondContact CA-OG 3.27Å; V761-S764 PolarHBondContact O-OG 2.83Å; V761-S764 VanDerWaalsContact O-OG 3.14Å; S764-Y767 PolarHBondContact O-N 3.08Å; S764-I768 WeakPolarHBondContact O-CB 3.33Å; S764-I768 VanDerWaalsContact O-CG1 3.28Å; S764-I768 WeakPolarHBondContact O-CG1 3.38Å; S764-I768 PolarHBondContact O-N 2.88Å |
| 765 | G | 67.8 | Low | 63.1 | Low | 39 Ų | 39 | 101.9 Ų | 101.9 | 40% | 0.402 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.7 | -46.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V761 L762 I768 Y769 | V761-G765 PolarHBondContact O-N 2.54Å; L762-G765 PolarHBondContact O-N 2.78Å; G765-I768 PolarHBondContact O-N 2.86Å; G765-Y769 PolarHBondContact O-N 3.31Å |
| 766 | V | 68.1 | Low | 62.4 | Low | 99 Ų | 99 | 107.3 Ų | 107.3 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | L762 G763 I768 Y769 Y770 | L762-V766 WeakPolarHBondContact O-CG2 3.46Å; L762-V766 PolarHBondContact O-N 2.93Å; G763-V766 PolarHBondContact O-N 2.89Å; V766-I768 PolarHBondContact O-N 2.68Å; V766-Y769 WeakPolarHBondContact O-CB 3.33Å; V766-Y769 PolarHBondContact O-N 3.43Å; V766-Y770 WeakPolarHBondContact O-CB 3.03Å; V766-Y770 PolarHBondContact O-N 2.93Å |
| 767 | Y | 62.8 | Low | 61.4 | Low | 165 Ų | 165 | 107.4 Ų | 107.4 | 65% | 0.647 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.8 | -38.9 | 177.7 | -169.4 | -95.5 | 0 | 0 | 0 | 112.9 | G763 S764 Y770 T771 | G763-Y767 WeakPolarHBondContact O-CB 3.32Å; G763-Y767 PolarHBondContact O-N 2.91Å; S764-Y767 PolarHBondContact O-N 3.08Å; Y767-Y770 PolarHBondContact O-N 3.1Å; Y767-T771 HydrophobicContact CD1-CG2 4.13Å; Y767-T771 HydrophobicContact CE1-CG2 3.76Å; Y767-T771 WeakPolarHBondContact O-CB 3.41Å; Y767-T771 WeakPolarHBondContact O-CG2 3.14Å; Y767-T771 PolarHBondContact O-N 3.26Å; Y767-T771 PolarHBondContact O-OG1 3.18Å |
| 768 | I | 60.6 | Low | 60.3 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 174.3 | -70.6 | 165.7 | 0 | 0 | 0 | 110.8 | S764 G765 V766 T771 K772 | S764-I768 WeakPolarHBondContact O-CB 3.33Å; S764-I768 VanDerWaalsContact O-CG1 3.28Å; S764-I768 WeakPolarHBondContact O-CG1 3.38Å; S764-I768 PolarHBondContact O-N 2.88Å; G765-I768 PolarHBondContact O-N 2.86Å; V766-I768 PolarHBondContact O-N 2.68Å; I768-T771 WeakPolarHBondContact CA-OG1 2.99Å; I768-T771 PolarHBondContact O-OG1 3.26Å; I768-T771 VanDerWaalsContact O-OG1 3.14Å; I768-K772 WeakPolarHBondContact O-CB 3.14Å; I768-K772 PolarHBondContact O-N 2.66Å; I768-K772 VanDerWaalsContact O-N 3.1Å |
| 769 | Y | 62.2 | Low | 59 | Low | 169 Ų | 169 | 117.4 Ų | 117.4 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.7 | -46.8 | 173.8 | -171.7 | -100.9 | 0 | 0 | 0 | 111.7 | G765 V766 K772 L773 | G765-Y769 PolarHBondContact O-N 3.31Å; V766-Y769 WeakPolarHBondContact O-CB 3.33Å; V766-Y769 PolarHBondContact O-N 3.43Å; Y769-K772 PolarHBondContact O-N 2.99Å; Y769-L773 HydrophobicContact CD1-CD1 3.78Å; Y769-L773 HydrophobicContact CE1-CD1 3.37Å; Y769-L773 PolarHBondContact O-N 2.8Å; Y769-L773 VanDerWaalsContact O-N 3.16Å |
| 770 | Y | 56.3 | Low | 57.2 | Low | 160 Ų | 160 | 123.3 Ų | 123.3 | 63% | 0.627 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.2 | -41 | -179 | -148.7 | -86.9 | 0 | 0 | 0 | 112.9 | V766 Y767 K772 L773 Q774 | V766-Y770 WeakPolarHBondContact O-CB 3.03Å; V766-Y770 PolarHBondContact O-N 2.93Å; Y767-Y770 PolarHBondContact O-N 3.1Å; Y770-K772 VanDerWaalsContact C-N 3.35Å; Y770-L773 PolarHBondContact O-N 3.06Å; Y770-Q774 PolarHBondContact O-N 2.88Å |
| 771 | T | 58.8 | Low | 55.4 | Low | 54 Ų | 54 | 124.9 Ų | 124.9 | 33% | 0.331 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.5 | -32.5 | 175.9 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | Y767 I768 L773 Q774 | Y767-T771 HydrophobicContact CD1-CG2 4.13Å; Y767-T771 HydrophobicContact CE1-CG2 3.76Å; Y767-T771 WeakPolarHBondContact O-CB 3.41Å; Y767-T771 WeakPolarHBondContact O-CG2 3.14Å; Y767-T771 PolarHBondContact O-N 3.26Å; Y767-T771 PolarHBondContact O-OG1 3.18Å; I768-T771 WeakPolarHBondContact CA-OG1 2.99Å; I768-T771 PolarHBondContact O-OG1 3.26Å; I768-T771 VanDerWaalsContact O-OG1 3.14Å; T771-L773 VanDerWaalsContact C-N 3.35Å; T771-Q774 PolarHBondContact O-N 3.24Å |
| 772 | K | 52.3 | Low | 53.6 | Low | 183 Ų | 183 | 128.2 Ų | 128.2 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.9 | -30.9 | 174.5 | -149.8 | -179.1 | -173.1 | -172.8 | 0 | 113 | I768 Y769 Y770 Q774 | I768-K772 WeakPolarHBondContact O-CB 3.14Å; I768-K772 PolarHBondContact O-N 2.66Å; I768-K772 VanDerWaalsContact O-N 3.1Å; Y769-K772 PolarHBondContact O-N 2.99Å; Y770-K772 VanDerWaalsContact C-N 3.35Å; K772-Q774 VanDerWaalsContact C-N 3.28Å; K772-Q774 PolarHBondContact O-N 2.77Å |
| 773 | L | 55.2 | Low | 51.8 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 59% | 0.592 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.1 | -17.5 | 171.6 | -101.4 | 128.8 | 0 | 0 | 0 | 113.9 | Y769 Y770 T771 | Y769-L773 HydrophobicContact CD1-CD1 3.78Å; Y769-L773 HydrophobicContact CE1-CD1 3.37Å; Y769-L773 PolarHBondContact O-N 2.8Å; Y769-L773 VanDerWaalsContact O-N 3.16Å; Y770-L773 PolarHBondContact O-N 3.06Å; T771-L773 VanDerWaalsContact C-N 3.35Å |
| 774 | Q | 52.8 | Low | 49.9 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 15.8 | -176.9 | -72.7 | -69 | -40.9 | 0 | 0 | 114.1 | Y770 T771 K772 K776 | Y770-Q774 PolarHBondContact O-N 2.88Å; T771-Q774 PolarHBondContact O-N 3.24Å; K772-Q774 VanDerWaalsContact C-N 3.28Å; K772-Q774 PolarHBondContact O-N 2.77Å; Q774-K776 VanDerWaalsContact C-N 3.29Å; Q774-K776 PolarHBondContact O-N 2.74Å; Q774-K776 VanDerWaalsContact O-N 3.08Å |
| 775 | G | 55.4 | Low | 48.9 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.8 | 14.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 776 | K | 45.6 | Very low | 47.2 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -106.3 | 113.8 | 179.5 | -73.9 | 178.1 | -180 | 173.5 | 0 | 111.4 | Q774 | Q774-K776 VanDerWaalsContact C-N 3.29Å; Q774-K776 PolarHBondContact O-N 2.74Å; Q774-K776 VanDerWaalsContact O-N 3.08Å | ||
| 777 | S | 45.1 | Very low | 45.4 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | -80.3 | 126.8 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 778 | L | 42.8 | Very low | 43.9 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | trans | -112.9 | 109.4 | 161.3 | -100.2 | 165.1 | 0 | 0 | 0 | 107.8 | ||||
| 779 | F | 39.6 | Very low | 43.5 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -118.1 | 153.1 | -169.5 | -151.1 | -84.7 | 0 | 0 | 0 | 110.5 | ||||
| 780 | R | 32.3 | Very low | 42 | Very low | 223 Ų | 223 | 143.7 Ų | 143.7 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | 75.8 | 136.7 | -174.3 | -45.5 | 179.6 | 176.6 | 177.7 | -2.6 | 112 | ||||
| 781 | L | 33.5 | Very low | 41 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | cis | -117.9 | 143 | 31.3 | -92.9 | 64.9 | 0 | 0 | 0 | 116 | ||||
| 782 | L | 32.5 | Very low | 39.8 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | 40.3 | 123.6 | 140.8 | -62.6 | 164.6 | 0 | 0 | 0 | 121.3 | ||||
| 783 | G | 29.7 | Very low | 38.8 | Very low | 82 Ų | 82 | 147.9 Ų | 147.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 149.3 | 75 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 784 | L | 28.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -93.5 | 166.9 | 157.1 | -89.8 | 135.1 | 0 | 0 | 0 | 109 | ||||
| 785 | P | 46.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -136.3 | 163.2 | 15 | 37.2 | -17.5 | 0 | 0 | 0 | 118.9 | ||||
| 786 | L | 31.4 | Very low | 35.8 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | 0.1 | 139.2 | 143.8 | -61.1 | 159.7 | 0 | 0 | 0 | 120.6 | ||||
| 787 | L | 30.4 | Very low | 35.3 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | -160 | 152 | 117.7 | -110.4 | 154.2 | 0 | 0 | 0 | 112.9 | |||||
| 788 | Q | 30.5 | Very low | 34.9 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -111.7 | -169.3 | -179.9 | -70.2 | -178.5 | -83.1 | 0 | 0 | 109.9 | ||||
| 789 | P | 53.3 | Low | 35.5 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | -129.2 | -175.1 | -61.3 | 37.8 | -23.6 | 0 | 0 | 0 | 111.4 | |||||
| 790 | H | 30.6 | Very low | 35.4 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -162.9 | 157.6 | 130.5 | -125.8 | -87.6 | 0 | 0 | 0 | 115.5 | ||||
| 791 | H | 33.9 | Very low | 35.8 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -96.6 | 142.6 | 177.1 | -80.9 | -102.6 | 0 | 0 | 0 | 113.9 | ||||
| 792 | R | 33.6 | Very low | 35.9 | Very low | 252 Ų | 252 | 145.3 Ų | 145.3 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | trans | 161.1 | 150.4 | 133.6 | -91 | 168.2 | 175 | 179.4 | -2.4 | 109.6 | ||||
| 793 | G | 32.5 | Very low | 36.1 | Very low | 62 Ų | 62 | 144.1 Ų | 144.1 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | cis | 138.9 | 133.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 794 | V | 33.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | 71.1 | 140.1 | 179.7 | -166.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 795 | G | 33.1 | Very low | 36.9 | Very low | 57 Ų | 57 | 146.9 Ų | 146.9 | 59% | 0.588 | 81% | 0.811 | S | S | * | * | cis | 143.5 | 136.4 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 796 | L | 33.5 | Very low | 36.3 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 66.3 | 163.9 | 173.1 | -61 | 159.8 | 0 | 0 | 0 | 114.4 | ||||
| 797 | Q | 33.6 | Very low | 36.7 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | cis | -149.6 | 160.1 | 10 | -149 | 149 | -40.6 | 0 | 0 | 113.6 | ||||
| 798 | Q | 36.8 | Very low | 37.1 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -81.3 | 177.8 | 163.8 | -89.5 | 175.2 | -40.1 | 0 | 0 | 111.7 | ||||
| 799 | P | 56.2 | Low | 37.6 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | cis | -137.4 | -170.9 | -30.4 | 37.2 | -18.6 | 0 | 0 | 0 | 113.6 | ||||
| 800 | A | 37.2 | Very low | 36.3 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | 64.7 | 119.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 801 | V | 41 | Very low | 36.8 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 100% | 1.327 | 83% | 0.832 | S | S | * | * | -118.8 | 0 | 78.6 | 177 | 0 | 0 | 0 | 0 | 108 |
Retrieved 801 of 801 residues in 891.4 ms
(Link to these results)