| 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 | 31.1 | Very low | 40.4 | Very low | 257 Ų | 257 | 146.7 Ų | 146.7 | 100% | 1.266 | 84% | 0.835 | S | S | * | * | 0 | 126.2 | 0 | -68.6 | 176.2 | 178.2 | 0 | 0 | 106.5 | |||||
| 2 | G | 31.3 | Very low | 40.8 | Very low | 78 Ų | 78 | 145.3 Ų | 145.3 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | cis | -179.7 | 148.5 | 2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | T | 37.2 | Very low | 40.2 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | trans | -60.5 | 171.7 | 174.9 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 4 | P | 51.5 | Low | 39.6 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | -148.2 | -171.3 | 66.1 | 29.7 | -4.9 | 0 | 0 | 0 | 114.8 | |||||
| 5 | R | 35.6 | Very low | 39 | Very low | 224 Ų | 224 | 145.4 Ų | 145.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | cis | 166.3 | 121.8 | -43.9 | -174 | 177.6 | -166.9 | -177.9 | 5.4 | 108.7 | ||||
| 6 | A | 37.9 | Very low | 38.3 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | trans | 54.2 | 161 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 7 | Q | 32.5 | Very low | 37.9 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | cis | -173 | 157.1 | 39.7 | -133.5 | 155.1 | 37.3 | 0 | 0 | 113.9 | ||||
| 8 | H | 33.7 | Very low | 37.5 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 177 | 169.1 | -89.2 | -61.3 | 0 | 0 | 0 | 115.2 | ||||
| 9 | P | 42.5 | Very low | 37.1 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | -158.4 | -147.9 | 56.9 | 45.1 | -17.3 | 0 | 0 | 0 | 117.9 | |||||
| 10 | P | 50.8 | Low | 36.9 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -127.1 | -144.3 | -112.6 | 38.7 | -12.4 | 0 | 0 | 0 | 117.9 | |||||
| 11 | P | 59.9 | Low | 36.5 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | -111.5 | -170.5 | -112.3 | 42.1 | -21.9 | 0 | 0 | 0 | 117.5 | |||||
| 12 | P | 45.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | -155.4 | 178 | 106.5 | 38.9 | -17.9 | 0 | 0 | 0 | 118.7 | |||||
| 13 | Q | 33.4 | Very low | 37.1 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -112.4 | 172.1 | -178.6 | -66.5 | -177.7 | -30.7 | 0 | 0 | 115.4 | ||||
| 14 | L | 31.8 | Very low | 36.8 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 91.1 | 149.9 | 149.7 | -97.4 | 111.4 | 0 | 0 | 0 | 120.3 | ||||
| 15 | L | 30.2 | Very low | 35.7 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | cis | 179.5 | 170.4 | -26.6 | -153.5 | 125.6 | 0 | 0 | 0 | 108.2 | ||||
| 16 | F | 27.4 | Very low | 35.4 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 75% | 0.746 | 78% | 0.776 | S | S | * | * | trans | 98.9 | 115.7 | 167.6 | -78.9 | -87.4 | 0 | 0 | 0 | 118.5 | ||||
| 17 | L | 31.6 | Very low | 34.9 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | cis | 79.3 | 128.7 | 45.2 | -88.5 | 167.2 | 0 | 0 | 0 | 116.9 | ||||
| 18 | I | 31.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | 174.4 | 108.3 | 127.9 | -85.8 | 160.5 | 0 | 0 | 0 | 107.9 | |||||
| 19 | L | 30.2 | Very low | 35.3 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | 79.9 | 141.8 | 80.4 | -74.8 | 178.6 | 0 | 0 | 0 | 112.5 | |||||
| 20 | L | 31.5 | Very low | 34.6 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | cis | -170.2 | 165.9 | 15.8 | -98.4 | 155 | 0 | 0 | 0 | 106.3 | ||||
| 21 | S | 28.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -168.8 | 145.7 | 34.1 | 41.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 22 | C | 24.8 | Very low | 32 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -76.3 | -173.6 | 163.6 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 23 | P | 51.3 | Low | 31.2 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -140.1 | -176 | 2.9 | 26.2 | 0.9 | 0 | 0 | 0 | 116.8 | ||||
| 24 | W | 30.2 | Very low | 30.9 | Very low | 245 Ų | 245 | 144.2 Ų | 144.2 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | trans | -33.9 | 158.2 | 170.7 | -64.4 | -0.3 | 0 | 0 | 0 | 120.1 | ||||
| 25 | I | 28.3 | Very low | 30.7 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | -171.8 | 147.9 | 125.5 | -92.5 | 150.4 | 0 | 0 | 0 | 112.2 | |||||
| 26 | Q | 29.9 | Very low | 30.8 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 158.3 | 172.7 | -62 | 164.8 | -43 | 0 | 0 | 114 | ||||
| 27 | G | 28.1 | Very low | 31.6 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 141.9 | 111.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 28 | L | 26 | Very low | 31.7 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -46.3 | 177 | 157 | -77.5 | 152.3 | 0 | 0 | 0 | 114.4 | ||||
| 29 | P | 48.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | -141.6 | -169.1 | -29.5 | 36.6 | -15.4 | 0 | 0 | 0 | 114.4 | ||||
| 30 | L | 26.3 | Very low | 32.7 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 77.6 | 119.4 | 155.7 | -68.8 | 166.4 | 0 | 0 | 0 | 118.6 | ||||
| 31 | K | 26.2 | Very low | 32.6 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | 90.3 | 136.4 | 96.5 | -165.5 | 157.6 | -179.6 | 171.2 | 0 | 110.1 | |||||
| 32 | E | 30.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | cis | -168.9 | 163.3 | 11.4 | -137.8 | 156.3 | -163.5 | 0 | 0 | 107.7 | ||||
| 33 | E | 29.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 44.5 | 148 | 143 | -79 | 166.4 | 141.4 | 0 | 0 | 121.3 | ||||
| 34 | E | 27.6 | Very low | 33 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | cis | -172 | 161 | 25 | -137.3 | -179.9 | 153.4 | 0 | 0 | 108 | ||||
| 35 | I | 26.6 | Very low | 32.9 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | 160.9 | 109.7 | 133.3 | -75.9 | 154.2 | 0 | 0 | 0 | 110 | ||||
| 36 | L | 31.6 | Very low | 33 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 71% | 0.707 | 75% | 0.754 | S | S | * | * | trans | -81.5 | -179.1 | 166.6 | -126.6 | 89.6 | 0 | 0 | 0 | 110.6 | E38 | L36-E38 HydrophobicContact CD2-CB 4.31Å; L36-E38 HydrophobicContact CD2-CG 3.61Å | ||
| 37 | P | 44.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | cis | -144.8 | 149.6 | 32.4 | 32.1 | -6.6 | 0 | 0 | 0 | 120.7 | ||||
| 38 | E | 35.2 | Very low | 33.1 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | 16.9 | 165.6 | 125.9 | -75.3 | -87.3 | 144.3 | 0 | 0 | 122 | L36 | L36-E38 HydrophobicContact CD2-CB 4.31Å; L36-E38 HydrophobicContact CD2-CG 3.61Å | |||
| 39 | P | 53 | Low | 33.2 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | cis | -148.7 | 173.3 | 27 | 37.3 | -14.1 | 0 | 0 | 0 | 120.9 | ||||
| 40 | G | 29 | Very low | 32.2 | Very low | 59 Ų | 59 | 130 Ų | 130 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | trans | 162.1 | 72.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 41 | S | 29.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 32 | 141.8 | 135.7 | 63.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 42 | E | 30.1 | Very low | 32.3 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | cis | -172.4 | 142 | 11.8 | -111.9 | 165.9 | -161.9 | 0 | 0 | 109.3 | ||||
| 43 | T | 36.4 | Very low | 32.2 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -108.3 | 171.9 | 146.6 | 55.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 44 | P | 46.7 | Very low | 32.2 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | -158 | 164.8 | 95.1 | 36.7 | -14.4 | 0 | 0 | 0 | 114.3 | |||||
| 45 | T | 28.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | -178.8 | 125.2 | 67.5 | 24.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 46 | V | 30 | Very low | 32.2 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | 75.3 | 133.5 | 87.8 | 174.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 47 | A | 28.3 | Very low | 32 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | cis | -162.5 | 140 | 7.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 48 | S | 30.8 | Very low | 31.2 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | 58.5 | 122.9 | 106.4 | 78.5 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 49 | E | 29.5 | Very low | 30.8 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | 175.3 | 138.8 | 106.7 | -98.4 | -179 | 164.6 | 0 | 0 | 115.2 | |||||
| 50 | A | 27.8 | Very low | 29.6 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 66.8 | 114 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 51 | L | 26.6 | Very low | 29.6 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | trans | 33.3 | 127.8 | 135.6 | -100.4 | 103.4 | 0 | 0 | 0 | 121.5 | ||||
| 52 | A | 26 | Very low | 29.5 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -139.9 | 131.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 53 | E | 29.5 | Very low | 29.7 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -143.4 | 149.2 | 154.7 | -126.1 | -146.2 | -171.1 | 0 | 0 | 111.1 | ||||
| 54 | L | 28.4 | Very low | 30 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 93 | 106.3 | 160.1 | -60.9 | 168.7 | 0 | 0 | 0 | 121.4 | ||||
| 55 | L | 28 | Very low | 29.3 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | 87.9 | 128.2 | 119.1 | -67.5 | 176.9 | 0 | 0 | 0 | 123.1 | |||||
| 56 | H | 27.6 | Very low | 29.2 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 63.8 | 133.6 | 139.7 | -73 | 91.9 | 0 | 0 | 0 | 120.7 | ||||
| 57 | G | 27 | Very low | 29.1 | Very low | 79 Ų | 79 | 136 Ų | 136 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 154.4 | 110.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 58 | A | 28.1 | Very low | 29 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 176.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 59 | L | 26.3 | Very low | 29 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 97.2 | 120.6 | 148.2 | -69 | 165.1 | 0 | 0 | 0 | 120.1 | ||||
| 60 | L | 27.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | trans | 82.6 | 117.7 | 131.3 | -69.5 | 166.6 | 0 | 0 | 0 | 120.5 | ||||
| 61 | R | 29.7 | Very low | 30 | Very low | 224 Ų | 224 | 141.6 Ų | 141.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | 45.2 | 113.9 | 127.5 | -69.4 | -175 | 176.7 | -173.2 | -2.4 | 117.4 | |||||
| 62 | R | 26.8 | Very low | 30.1 | Very low | 241 Ų | 241 | 138.8 Ų | 138.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | 171.5 | 126.8 | 109.5 | -99.8 | 174.2 | 173.8 | 169.6 | -1.8 | 109.6 | |||||
| 63 | G | 33.8 | Very low | 30.6 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -66.7 | 161.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 64 | P | 43.8 | Very low | 31.3 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | -144 | 145.3 | 109.1 | 33.4 | -16.3 | 0 | 0 | 0 | 115.6 | |||||
| 65 | E | 31.1 | Very low | 31.7 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 32 | 134.5 | 137 | -68 | -165.9 | 148.5 | 0 | 0 | 125.2 | ||||
| 66 | M | 26.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | 80.5 | 125.1 | 132 | -79.4 | -171.7 | -150.2 | 0 | 0 | 121.8 | ||||
| 67 | G | 26.6 | Very low | 33.5 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 171.7 | 69.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 68 | Y | 26.3 | Very low | 34 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | 46.1 | 134.7 | 140.3 | -97.6 | -100.3 | 0 | 0 | 0 | 124.9 | ||||
| 69 | L | 32.6 | Very low | 34 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -45.5 | 179 | 163.6 | -68.2 | 171.9 | 0 | 0 | 0 | 116.8 | ||||
| 70 | P | 47.3 | Very low | 34.2 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | cis | -137.7 | -179.4 | 18.7 | 34.8 | -11.2 | 0 | 0 | 0 | 114.5 | ||||
| 71 | G | 29.1 | Very low | 35.9 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | 142.7 | 136.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 72 | S | 30 | Very low | 37.3 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 172.1 | 112.6 | 150 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 73 | D | 35.8 | Very low | 37.9 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -89.6 | 167.2 | 152.1 | -92.9 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 74 | P | 44.1 | Very low | 37.7 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | -142.3 | 142.7 | 109.8 | 34.3 | -18 | 0 | 0 | 0 | 116.1 | |||||
| 75 | D | 37.5 | Very low | 37.3 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -76.4 | -167 | 164.8 | -141.6 | 9.3 | 0 | 0 | 0 | 110.4 | ||||
| 76 | P | 57.5 | Low | 37.3 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 60% | 0.597 | 80% | 0.802 | S | S | * | * | cis | -151.4 | -171 | 6.2 | 28.5 | 0.5 | 0 | 0 | 0 | 118.4 | ||||
| 77 | T | 36.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | 111.4 | 135.9 | 142.3 | 65.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 78 | L | 36 | Very low | 37.7 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | cis | -173.1 | 145.1 | -7.4 | -157.9 | 85.1 | 0 | 0 | 0 | 108.3 | ||||
| 79 | A | 28.5 | Very low | 38 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 169.7 | 139.2 | 130 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 80 | T | 32.1 | Very low | 38.6 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -116.4 | 175.3 | -164.2 | 26.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 81 | P | 63.4 | Low | 37.7 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -105.7 | -156.5 | -150.5 | 45.4 | -37.1 | 0 | 0 | 0 | 113.9 | ||||
| 82 | P | 58.2 | Low | 37.9 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -154.5 | -169 | 72 | 34.5 | -9.5 | 0 | 0 | 0 | 114.5 | |||||
| 83 | A | 39.3 | Very low | 38.4 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | cis | -174.2 | 155 | -33.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 84 | G | 30.2 | Very low | 38 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 176.8 | 102.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 85 | Q | 35.4 | Very low | 37.4 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -80.2 | 166.6 | -175.6 | -66.7 | 170.6 | -12 | 0 | 0 | 112.6 | ||||
| 86 | T | 30.1 | Very low | 36.9 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | -173.7 | 149.9 | 55.7 | -39.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 87 | L | 33.3 | Very low | 35.7 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -84 | 156.1 | 174.8 | -79.5 | 148.7 | 0 | 0 | 0 | 114.3 | ||||
| 88 | A | 28.5 | Very low | 36.1 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -163.1 | 138.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 89 | V | 33.3 | Very low | 35.7 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -129.5 | 148.3 | 161.9 | -169 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 90 | P | 44.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | -156.4 | 164.7 | 94.8 | 36.9 | -15.4 | 0 | 0 | 0 | 117.9 | |||||
| 91 | S | 28.7 | Very low | 35.4 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 93.2 | 133 | 139 | 69.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 92 | L | 33.8 | Very low | 34.4 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -85.7 | 159.1 | 164.5 | -124.5 | 105.6 | 0 | 0 | 0 | 110.4 | ||||
| 93 | P | 40.9 | Very low | 33 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | -151.4 | 179.3 | 96.5 | 37.5 | -17.1 | 0 | 0 | 0 | 117.7 | |||||
| 94 | R | 26.9 | Very low | 32.4 | Very low | 230 Ų | 230 | 132 Ų | 132 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -67 | 146.3 | -169.5 | -168.7 | 178.5 | -165.9 | 162.1 | 3.6 | 118.7 | ||||
| 95 | A | 32.3 | Very low | 32.2 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 43.2 | 131 | 145.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 96 | T | 26.7 | Very low | 31.9 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -165.4 | 125 | 143.9 | -2.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 97 | E | 31.1 | Very low | 31.9 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -81.5 | -177.7 | 151.3 | -70.3 | -167.9 | 141.3 | 0 | 0 | 109.1 | ||||
| 98 | P | 44.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -140.4 | 173.2 | 1.6 | 36.9 | -15.8 | 0 | 0 | 0 | 116.9 | ||||
| 99 | G | 27 | Very low | 32.2 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | 104.6 | 123.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 100 | T | 27.3 | Very low | 32 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | trans | 94.9 | 126.2 | 134.6 | -12.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 101 | G | 28 | Very low | 31.2 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -73.8 | -161.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 102 | P | 43 | Very low | 31.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -152.6 | 164.4 | 65.8 | 37.5 | -15.4 | 0 | 0 | 0 | 119.6 | |||||
| 103 | L | 27.7 | Very low | 31 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 15.9 | 136.5 | 148.6 | -73.5 | 137.1 | 0 | 0 | 0 | 123.3 | ||||
| 104 | T | 27.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | -179 | 129.7 | 101.3 | 27.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 105 | T | 25.7 | Very low | 30.4 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 51 | 124.9 | 142.2 | 53.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 106 | A | 29.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -135.7 | 128.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 107 | V | 29.5 | Very low | 30.7 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 139.9 | -172.9 | 164.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 108 | T | 28.6 | Very low | 30.5 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 160.6 | 168.4 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 109 | P | 39.5 | Very low | 29.9 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -122.5 | 140.6 | 146.3 | 30.6 | -18 | 0 | 0 | 0 | 113.6 | ||||
| 110 | N | 29.2 | Very low | 30.3 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 152.9 | 172.3 | -88.3 | -35.7 | 0 | 0 | 0 | 112.6 | ||||
| 111 | G | 28.6 | Very low | 30.3 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -93.2 | -159.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 112 | V | 29.4 | Very low | 30.3 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | 155.8 | 127 | 131.9 | 164.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 113 | R | 27.9 | Very low | 29.6 | Very low | 249 Ų | 249 | 128 Ų | 128 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | trans | 68.7 | 126.7 | 151.8 | -79.8 | 166.2 | -154.2 | -156.5 | 5.2 | 122.8 | ||||
| 114 | G | 27.3 | Very low | 30.1 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 166.1 | 91.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 115 | A | 27.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 58.7 | 110.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 116 | G | 30.7 | Very low | 31.5 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 159.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 117 | P | 35.4 | Very low | 32.3 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -149.9 | -173.2 | 83 | 37.2 | -17.3 | 0 | 0 | 0 | 114.4 | |||||
| 118 | T | 27.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | 76.7 | 101.2 | 153.8 | 40.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 119 | A | 30.8 | Very low | 32.5 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -69.4 | 145.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 120 | P | 35.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -91.8 | 138.5 | 165.4 | 33.3 | -25.9 | 0 | 0 | 0 | 111.2 | ||||
| 121 | E | 28.8 | Very low | 32.6 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -93.6 | 179.8 | -178.5 | -152.5 | -176.6 | 140.4 | 0 | 0 | 111 | ||||
| 122 | L | 27.9 | Very low | 33.3 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | 89.5 | 123.4 | 158.5 | -105.6 | 78.2 | 0 | 0 | 0 | 116.8 | ||||
| 123 | L | 27.8 | Very low | 34.2 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | cis | -155.4 | 139.2 | 44.6 | -81.4 | 150 | 0 | 0 | 0 | 113.9 | ||||
| 124 | T | 37.1 | Very low | 35.1 | Very low | 130 Ų | 130 | 119 Ų | 119 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -85.4 | 154.1 | 153.2 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 125 | P | 36.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | -153.1 | -169.2 | 107.3 | 39.8 | -20.8 | 0 | 0 | 0 | 113.9 | |||||
| 126 | P | 46.8 | Very low | 36.2 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -124.8 | -173.3 | -67.1 | 41.9 | -25.1 | 0 | 0 | 0 | 112.8 | |||||
| 127 | P | 46 | Very low | 36.7 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -105.7 | 164 | -160.5 | 39.6 | -31.9 | 0 | 0 | 0 | 116.8 | ||||
| 128 | G | 30.6 | Very low | 36.5 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 141.3 | 136.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 129 | T | 30.5 | Very low | 37 | Very low | 142 Ų | 142 | 123.2 Ų | 123.2 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | cis | -161.7 | 137.4 | 11.2 | 32.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 130 | T | 37.3 | Very low | 37.4 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 96% | 0.957 | 81% | 0.805 | S | S | * | * | trans | -73.8 | 132.6 | 175.6 | 12.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 131 | A | 35.1 | Very low | 37.5 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -133 | 147.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | P | 43.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 167.8 | -163.4 | 35.4 | -35.5 | 0 | 0 | 0 | 114.1 | ||
| 133 | P | 46.9 | Very low | 38.7 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 148.4 | 178.6 | 29.4 | -34.4 | 0 | 0 | 0 | 112.5 | ||
| 134 | P | 46.4 | Very low | 39 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 158.1 | -177.6 | 30.2 | -33.2 | 0 | 0 | 0 | 113.6 | ||
| 135 | P | 40.2 | Very low | 38.8 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 152.7 | -166.2 | 34.7 | -35.1 | 0 | 0 | 0 | 114.4 | ||
| 136 | S | 37.9 | Very low | 38.8 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 134.2 | 170.2 | -30.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 137 | P | 41.1 | Very low | 38.2 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 127.6 | 172.7 | -12.1 | 27.4 | 0 | 0 | 0 | 111.7 | ||
| 138 | A | 33.1 | Very low | 37.5 | Very low | 93 Ų | 93 | 119.6 Ų | 119.6 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 139 | S | 36.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.7 | 169.6 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 140 | P | 40.6 | Very low | 37.5 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 130.8 | 164.6 | -4.6 | 22.5 | 0 | 0 | 0 | 110.3 | ||
| 141 | G | 36.1 | Very low | 37.2 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 164.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 142 | P | 43.9 | Very low | 37 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 146.3 | -174.5 | 31.3 | -32.6 | 0 | 0 | 0 | 112.2 | ||
| 143 | P | 39.1 | Very low | 36.3 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 146.6 | 170.2 | 31.9 | -29.3 | 0 | 0 | 0 | 112.3 | ||
| 144 | L | 33.9 | Very low | 35.4 | Very low | 184 Ų | 184 | 129 Ų | 129 | 96% | 0.963 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.5 | 173.4 | -73.2 | 146.9 | 0 | 0 | 0 | 112.3 | ||
| 145 | G | 33 | Very low | 34.5 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | trans | -132.6 | 154.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 146 | P | 37.3 | Very low | 33.9 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -91.8 | 164.3 | -146.7 | 35.5 | -35.2 | 0 | 0 | 0 | 115.9 | ||||
| 147 | E | 33.3 | Very low | 33.8 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -50.7 | 142.3 | 171.2 | -72.4 | 177 | 96.9 | 0 | 0 | 114.7 | ||||
| 148 | G | 32.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 179.5 | 108.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 149 | G | 30.5 | Very low | 33.4 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -90.1 | -165.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 150 | E | 30.8 | Very low | 33.1 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | 85.4 | 133.3 | 177.5 | -61.3 | 178.6 | 159.6 | 0 | 0 | 114.3 | ||||
| 151 | E | 30.9 | Very low | 33.3 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | cis | -162.8 | 150.2 | 2.6 | -155.1 | 174.1 | 175 | 0 | 0 | 107.4 | ||||
| 152 | E | 31 | Very low | 33.1 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -65.1 | 146 | 167.5 | -77.5 | 176.7 | 129.5 | 0 | 0 | 111 | ||||
| 153 | T | 28 | Very low | 33.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | -178.8 | 137.7 | 118.2 | 28 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 154 | T | 28.6 | Very low | 33 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -54 | 150.9 | 173.8 | -30.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 155 | T | 27.2 | Very low | 33 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 171.1 | 120.8 | 121.2 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 156 | T | 28.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -17.1 | 155.3 | 149.6 | 25.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 157 | I | 34.1 | Very low | 33.3 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | cis | -176.3 | 148.8 | 32.7 | -118.4 | 155 | 0 | 0 | 0 | 110.3 | ||||
| 158 | I | 37.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | 60.7 | 122.7 | 147 | -48 | 164.6 | 0 | 0 | 0 | 121.3 | ||||
| 159 | T | 28.5 | Very low | 34.2 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | 179.8 | 117 | 114.4 | 27.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 160 | T | 31.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 43.3 | 118.6 | 134.7 | 51.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 161 | T | 43.1 | Very low | 36.1 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 58.3 | 123.8 | 139.1 | 31.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 162 | T | 33.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | -174.7 | 144.8 | 115.4 | 24.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 163 | V | 43.6 | Very low | 38.4 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -72 | 125.6 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 164 | T | 36.3 | Very low | 40.4 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -135.1 | 113.4 | 154 | 34.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 165 | T | 34.5 | Very low | 42.9 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | -4.3 | 123.2 | 148.7 | 40.9 | 0 | 0 | 0 | 0 | 114.2 | V167 | T165-V167 VanDerWaalsContact C-N 3.27Å; T165-V167 PolarHBondContact O-N 3.46Å | ||
| 166 | T | 37.8 | Very low | 45.7 | Very low | 143 Ų | 143 | 114.9 Ų | 114.9 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | trans | -54.2 | 95.7 | 161 | 47.4 | 0 | 0 | 0 | 0 | 108.5 | T168 | T166-T168 PolarHBondContact O-N 2.8Š| ||
| 167 | V | 37.5 | Very low | 48.4 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 76% | 0.758 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.3 | 160.7 | 174.2 | 0 | 0 | 0 | 0 | 105 | T165 S169 | T165-V167 VanDerWaalsContact C-N 3.27Å; T165-V167 PolarHBondContact O-N 3.46Å; V167-S169 PolarHBondContact O-N 3.28Å; V167-S169 VanDerWaalsContact O-N 3.17Å |
| 168 | T | 43.1 | Very low | 50.8 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -48 | 120.9 | 165.9 | 37.7 | 0 | 0 | 0 | 0 | 108 | T166 | T166-T168 PolarHBondContact O-N 2.8Š|
| 169 | S | 41.7 | Very low | 53.1 | Low | 101 Ų | 101 | 105.7 Ų | 105.7 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 134.5 | 168.8 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | V167 A171 | V167-S169 PolarHBondContact O-N 3.28Å; V167-S169 VanDerWaalsContact O-N 3.17Å; S169-A171 PolarHBondContact O-N 2.66Å |
| 170 | P | 49.9 | Very low | 55.7 | Low | 92 Ų | 92 | 103.9 Ų | 103.9 | 60% | 0.597 | 62% | 0.622 | S | S | * | * | trans | -63.2 | 115.5 | 166.9 | 26.9 | -30.3 | 0 | 0 | 0 | 107 | Y172 | P170-Y172 PolarHBondContact O-N 2.67Å; P170-Y172 VanDerWaalsContact O-N 3.15Å | ||
| 171 | A | 51.6 | Low | 58.1 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | trans | -55.6 | 121.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | S169 L173 | S169-A171 PolarHBondContact O-N 2.66Å; A171-L173 PolarHBondContact O-N 2.77Å | ||
| 172 | Y | 53.4 | Low | 60.1 | Low | 182 Ų | 182 | 100.8 Ų | 100.8 | 71% | 0.714 | 59% | 0.585 | S | S | * | * | trans | -63.7 | 111.7 | 170.9 | -70.9 | -88.9 | 0 | 0 | 0 | 107.2 | P170 L174 | P170-Y172 PolarHBondContact O-N 2.67Å; P170-Y172 VanDerWaalsContact O-N 3.15Å; Y172-L174 PolarHBondContact O-N 3.5Å | ||
| 173 | L | 57.7 | Low | 62.3 | Low | 115 Ų | 115 | 97.6 Ų | 97.6 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | trans | -72.3 | 110.2 | 167.9 | -115 | 149.7 | 0 | 0 | 0 | 106.1 | A171 S175 P222 | A171-L173 PolarHBondContact O-N 2.77Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 VanDerWaalsContact CD2-O 3.32Å; L173-S175 WeakPolarHBondContact CD2-O 3.35Å; L173-P222 WeakPolarHBondContact O-CD 3.5Å | ||
| 174 | L | 69.1 | Low | 64.2 | Low | 134 Ų | 134 | 93.4 Ų | 93.4 | 70% | 0.702 | 54% | 0.543 | S | S | * | . | trans | -88 | 1.2 | -178 | -76.2 | 148.8 | 0 | 0 | 0 | 112.8 | Y172 | Y172-L174 PolarHBondContact O-N 3.5Š| ||
| 175 | S | 81.4 | Confident | 66.5 | Low | 31 Ų | 31 | 87.7 Ų | 87.7 | 22% | 0.217 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -141 | 153.8 | -173.8 | -49.1 | 0 | 0 | 0 | 0 | 110.5 | L173 L192 | L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 VanDerWaalsContact CD2-O 3.32Å; L173-S175 WeakPolarHBondContact CD2-O 3.35Å; S175-L192 CarbonylContact C-O 3.48Å; S175-L192 VanDerWaalsContact CA-O 3.31Å; S175-L192 WeakPolarHBondContact CA-O 3.46Å; S175-L192 WeakPolarHBondContact CB-O 3.26Å |
| 176 | C | 85.3 | Confident | 68.9 | Low | 3 Ų | 3 | 85.3 Ų | 85.3 | 2% | 0.02 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 149 | 168.4 | -70.9 | 0 | 0 | 0 | 0 | 110.4 | L192 C216 P222 S223 W224 | C176-L192 PolarHBondContact N-O 2.82Å; C176-C216 HydrophobicContact CB-CB 3.93Å; C176-C216 WeakPolarHBondContact CB-SG 3.36Å; C176-C216 WeakPolarHBondContact SG-CA 3.07Å; C176-C216 WeakPolarHBondContact SG-CB 3.28Å; C176-C216 CovalentContact SG-SG 2.03Å; C176-C216 PolarHBondContact SG-SG 3.43Å; C176-P222 VanDerWaalsContact SG-C 3.55Å; C176-S223 PolarHBondContact SG-N 2.7Å; C176-W224 HydrophobicContact CB-CD2 4.42Å; C176-W224 HydrophobicContact CB-CZ2 3.93Å |
| 177 | G | 84.7 | Confident | 71.4 | Confident | 48 Ų | 48 | 79 Ų | 79 | 50% | 0.495 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 149 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W224 | G177-W224 PolarHBondContact O-NE1 3.27Š|
| 178 | F | 84.6 | Confident | 73.9 | Confident | 136 Ų | 136 | 75.5 Ų | 75.5 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 123.9 | 174.3 | -164.6 | -85.8 | 0 | 0 | 0 | 109.1 | V187 V189 L192 | F178-V187 HydrophobicContact CE1-CG1 3.94Å; F178-V187 HydrophobicContact CZ-CG1 4.32Å; F178-V189 HydrophobicContact CD2-CG2 4.34Å; F178-V189 HydrophobicContact CE2-CB 4.17Å; F178-V189 HydrophobicContact CE2-CG2 3.74Å; F178-V189 HydrophobicContact CZ-CG2 3.88Å; F178-L192 HydrophobicContact CD2-CD1 4.45Å; F178-L192 HydrophobicContact CD2-CD2 4.32Å |
| 179 | P | 86.1 | Confident | 76.1 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.019 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 140.2 | -176.2 | 25.8 | -32.1 | 0 | 0 | 0 | 110.1 | V187 V189 A198 F200 W224 T228 | P179-V187 HydrophobicContact CG-CG1 4.41Å; P179-V187 HydrophobicContact CG-CG2 3.86Å; P179-V189 HydrophobicContact CG-CG2 3.91Å; P179-A198 HydrophobicContact CG-CB 3.88Å; P179-F200 HydrophobicContact CB-CE1 4.29Å; P179-F200 HydrophobicContact CB-CZ 3.89Å; P179-F200 HydrophobicContact CG-CZ 4.28Å; P179-W224 HydrophobicContact CG-CZ2 4.09Å; P179-T228 HydrophobicContact CB-CG2 4.39Å |
| 180 | P | 83.3 | Confident | 78.3 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 142.2 | 176.8 | 25.9 | -32.9 | 0 | 0 | 0 | 110.3 | T228 | P180-T228 HydrophobicContact CG-CG2 3.85Š|
| 181 | R | 81.6 | Confident | 79.8 | Confident | 168 Ų | 168 | 70.9 Ų | 70.9 | 63% | 0.634 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 127.4 | 174.5 | -175.3 | 175.5 | -72.5 | -164.7 | -7.6 | 109.1 | G185 D186 | R181-G185 WeakPolarHBondContact CD-O 3.22Å; R181-G185 WeakPolarHBondContact CG-O 3.36Å; R181-D186 IonicContact CZ-OD1 2.99Å; R181-D186 IonicContact CZ-OD2 3.51Å; R181-D186 IonicContact NE-OD1 2.92Å; R181-D186 PolarHBondContact NE-OD1 2.76Å; R181-D186 IonicContact NH1-OD1 3.76Å; R181-D186 VanDerWaalsContact NH2-CG 3.34Å; R181-D186 IonicContact NH2-OD1 2.84Å; R181-D186 PolarHBondContact NH2-OD1 3.08Å; R181-D186 IonicContact NH2-OD2 3.56Å; R181-D186 PolarHBondContact NH2-OD2 3.29Å |
| 182 | P | 85.8 | Confident | 81.4 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 150 | 176.2 | 27.2 | -33.2 | 0 | 0 | 0 | 110.4 | H184 G185 F200 | P182-H184 PolarHBondContact O-N 3.19Å; P182-G185 PolarHBondContact O-N 3.25Å; P182-F200 HydrophobicContact CG-CD1 4.11Å |
| 183 | A | 79.1 | Confident | 83.1 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 132.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | G185 C231 | A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.89Å; A183-C231 WeakPolarHBondContact O-CB 3.43Å |
| 184 | H | 83.1 | Confident | 84.5 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 39.4 | -177.4 | -43.9 | -64.8 | 0 | 0 | 0 | 114 | P182 D203 Y206 E251 | P182-H184 PolarHBondContact O-N 3.19Å; H184-D203 VanDerWaalsContact C-CG 3.5Å; H184-D203 VanDerWaalsContact CA-OD2 3.32Å; H184-D203 WeakPolarHBondContact CA-OD2 3.23Å; H184-D203 WeakPolarHBondContact O-CB 3.1Å; H184-D203 PolarHBondContact O-N 2.83Å; H184-Y206 HydrophobicContact CB-CD1 3.9Å; H184-Y206 HydrophobicContact CB-CD2 3.84Å; H184-Y206 HydrophobicContact CB-CE1 3.79Å; H184-Y206 HydrophobicContact CB-CE2 3.73Å; H184-Y206 HydrophobicContact CB-CG 3.93Å; H184-Y206 AromaticContact CD2-CE1 3.45Å; H184-Y206 VanDerWaalsContact CD2-CE1 3.45Å; H184-Y206 WeakPolarHBondContact CD2-CE1 3.37Å; H184-Y206 AromaticContact CD2-CZ 3.65Å; H184-Y206 AromaticContact CG-CE1 3.68Å; H184-Y206 AromaticContact CG-CE2 3.97Å; H184-Y206 AromaticContact CG-CZ 3.51Å; H184-Y206 AromaticContact ND1-CZ 3.98Å; H184-E251 IonicContact CD2-OE1 3.36Å; H184-E251 IonicContact CE1-OE1 2.65Å; H184-E251 IonicContact NE2-OE1 3.57Å; H184-E251 PolarHBondContact NE2-OE1 2.86Å |
| 185 | G | 86.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | -177.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | R181 P182 A183 H201 | R181-G185 WeakPolarHBondContact CD-O 3.22Å; R181-G185 WeakPolarHBondContact CG-O 3.36Å; P182-G185 PolarHBondContact O-N 3.25Å; A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.89Å; G185-H201 CarbonylContact C-O 3.59Å; G185-H201 WeakPolarHBondContact CA-O 3.27Å |
| 186 | D | 84.7 | Confident | 85.6 | Confident | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.342 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 164.7 | 177.4 | -157.5 | 5.2 | 0 | 0 | 0 | 112.3 | R181 F200 H201 | R181-D186 IonicContact CZ-OD1 2.99Å; R181-D186 IonicContact CZ-OD2 3.51Å; R181-D186 IonicContact NE-OD1 2.92Å; R181-D186 PolarHBondContact NE-OD1 2.76Å; R181-D186 IonicContact NH1-OD1 3.76Å; R181-D186 VanDerWaalsContact NH2-CG 3.34Å; R181-D186 IonicContact NH2-OD1 2.84Å; R181-D186 PolarHBondContact NH2-OD1 3.08Å; R181-D186 IonicContact NH2-OD2 3.56Å; R181-D186 PolarHBondContact NH2-OD2 3.29Å; D186-F200 WeakPolarHBondContact O-CA 3.48Å; D186-H201 PolarHBondContact N-O 3.25Å; D186-H201 PolarHBondContact O-N 3.05Å |
| 187 | V | 89.4 | Confident | 86 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.8 | 176.5 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | F178 P179 V189 A198 F200 | F178-V187 HydrophobicContact CE1-CG1 3.94Å; F178-V187 HydrophobicContact CZ-CG1 4.32Å; P179-V187 HydrophobicContact CG-CG1 4.41Å; P179-V187 HydrophobicContact CG-CG2 3.86Å; V187-V189 HydrophobicContact CG2-CG2 4.07Å; V187-A198 HydrophobicContact CG2-CB 4.03Å; V187-F200 HydrophobicContact CB-CD1 3.76Å; V187-F200 HydrophobicContact CB-CE1 3.81Å; V187-F200 HydrophobicContact CB-CG 4.49Å; V187-F200 HydrophobicContact CG2-CD1 3.68Å; V187-F200 HydrophobicContact CG2-CD2 4.4Å; V187-F200 HydrophobicContact CG2-CE1 3.49Å; V187-F200 VanDerWaalsContact CG2-CE1 3.49Å; V187-F200 HydrophobicContact CG2-CE2 4.2Å; V187-F200 HydrophobicContact CG2-CG 4.15Å; V187-F200 HydrophobicContact CG2-CZ 3.76Å |
| 188 | S | 89.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.2 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | A198 T199 H201 | S188-A198 CarbonylContact O-C 3.49Å; S188-A198 WeakPolarHBondContact O-CA 3.45Å; S188-T199 PolarHBondContact N-O 3.2Å; S188-T199 PolarHBondContact O-N 2.75Å; S188-T199 WeakPolarHBondContact OG-CB 3.38Å; S188-T199 PolarHBondContact OG-O 3.04Å; S188-H201 PolarHBondContact OG-NE2 2.77Å |
| 189 | V | 88.4 | Confident | 86.8 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | F178 P179 V187 L192 A198 W224 | F178-V189 HydrophobicContact CD2-CG2 4.34Å; F178-V189 HydrophobicContact CE2-CB 4.17Å; F178-V189 HydrophobicContact CE2-CG2 3.74Å; F178-V189 HydrophobicContact CZ-CG2 3.88Å; P179-V189 HydrophobicContact CG-CG2 3.91Å; V187-V189 HydrophobicContact CG2-CG2 4.07Å; V189-L192 HydrophobicContact CG1-CD2 3.85Å; V189-L192 HydrophobicContact CG1-CG 4.31Å; V189-A198 HydrophobicContact CG2-CB 4.05Å; V189-W224 HydrophobicContact CG1-CH2 4.3Å |
| 190 | T | 88.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 63% | 0.632 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -82.2 | -48.2 | 178.5 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | T197 | T190-T197 PolarHBondContact N-O 3.36Å; T190-T197 PolarHBondContact OG1-N 2.6Å; T190-T197 PolarHBondContact OG1-O 3.34Å; T190-T197 PolarHBondContact OG1-OG1 3.29Å |
| 191 | D | 81.6 | Confident | 87.4 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | trans | -153.4 | 152.1 | 176.2 | -159.5 | -16.6 | 0 | 0 | 0 | 109.7 | H193 G196 | D191-H193 IonicContact OD1-CE1 3.43Å; D191-H193 IonicContact OD1-CG 3.38Å; D191-H193 PolarHBondContact OD1-N 2.9Å; D191-H193 VanDerWaalsContact OD1-N 3.07Å; D191-H193 IonicContact OD1-ND1 3.22Å; D191-H193 PolarHBondContact OD1-ND1 3.17Å; D191-H193 IonicContact OD2-ND1 3.72Å; D191-H193 PolarHBondContact OD2-ND1 2.81Å; D191-G196 WeakPolarHBondContact O-CA 3.28Å | ||
| 192 | L | 86.6 | Confident | 87.8 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -97.6 | -9 | 174.4 | -65.6 | 172.5 | 0 | 0 | 0 | 112.1 | S175 C176 F178 V189 C216 W224 | S175-L192 CarbonylContact C-O 3.48Å; S175-L192 VanDerWaalsContact CA-O 3.31Å; S175-L192 WeakPolarHBondContact CA-O 3.46Å; S175-L192 WeakPolarHBondContact CB-O 3.26Å; C176-L192 PolarHBondContact N-O 2.82Å; F178-L192 HydrophobicContact CD2-CD1 4.45Å; F178-L192 HydrophobicContact CD2-CD2 4.32Å; V189-L192 HydrophobicContact CG1-CD2 3.85Å; V189-L192 HydrophobicContact CG1-CG 4.31Å; L192-C216 PolarHBondContact O-SG 2.95Å; L192-C216 VanDerWaalsContact O-SG 3.39Å; L192-W224 HydrophobicContact CD2-CZ2 3.96Å |
| 193 | H | 87.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71.8 | 158.8 | 172.9 | -63.8 | 95.8 | 0 | 0 | 0 | 111.8 | D191 G195 G196 | D191-H193 IonicContact OD1-CE1 3.43Å; D191-H193 IonicContact OD1-CG 3.38Å; D191-H193 PolarHBondContact OD1-N 2.9Å; D191-H193 VanDerWaalsContact OD1-N 3.07Å; D191-H193 IonicContact OD1-ND1 3.22Å; D191-H193 PolarHBondContact OD1-ND1 3.17Å; D191-H193 IonicContact OD2-ND1 3.72Å; D191-H193 PolarHBondContact OD2-ND1 2.81Å; H193-G195 PolarHBondContact O-N 2.65Å; H193-G196 PolarHBondContact O-N 2.87Å |
| 194 | P | 87.2 | Confident | 88.1 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 126.7 | 174.8 | -29.1 | 36.6 | 0 | 0 | 0 | 112.9 | N218 P222 | P194-N218 HydrophobicContact CB-CB 3.72Å; P194-N218 HydrophobicContact CG-CB 4.29Å; P194-P222 HydrophobicContact CG-CB 4.47Å; P194-P222 HydrophobicContact CG-CG 4.27Å |
| 195 | G | 86.4 | Confident | 88.1 | Confident | 57 Ų | 57 | 47 Ų | 47 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -10.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H193 C216 | H193-G195 PolarHBondContact O-N 2.65Å; G195-C216 PolarHBondContact N-O 2.84Å |
| 196 | G | 89 | Confident | 88.2 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | -67.8 | 154.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D191 H193 I215 C216 | D191-G196 WeakPolarHBondContact O-CA 3.28Å; H193-G196 PolarHBondContact O-N 2.87Å; G196-I215 WeakPolarHBondContact O-CA 3.37Å; G196-C216 PolarHBondContact O-N 3.2Å | ||
| 197 | T | 93.3 | Very high | 88.2 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.1 | -175.9 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | T190 T213 L214 I215 | T190-T197 PolarHBondContact N-O 3.36Å; T190-T197 PolarHBondContact OG1-N 2.6Å; T190-T197 PolarHBondContact OG1-O 3.34Å; T190-T197 PolarHBondContact OG1-OG1 3.29Å; T197-T213 HydrophobicContact CG2-CG2 4.37Å; T197-L214 CarbonylContact C-O 3.55Å; T197-L214 VanDerWaalsContact CA-O 3.29Å; T197-L214 WeakPolarHBondContact CA-O 3.46Å; T197-I215 HydrophobicContact CG2-CG1 4.23Å |
| 198 | A | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | P179 V187 S188 V189 F200 T213 L214 W224 | P179-A198 HydrophobicContact CG-CB 3.88Å; V187-A198 HydrophobicContact CG2-CB 4.03Å; S188-A198 CarbonylContact O-C 3.49Å; S188-A198 WeakPolarHBondContact O-CA 3.45Å; V189-A198 HydrophobicContact CG2-CB 4.05Å; A198-F200 HydrophobicContact CB-CE2 4.06Å; A198-F200 HydrophobicContact CB-CZ 4.32Å; A198-T213 CarbonylContact O-C 3.57Å; A198-T213 VanDerWaalsContact O-CA 3.29Å; A198-T213 WeakPolarHBondContact O-CA 3.5Å; A198-L214 PolarHBondContact N-O 2.96Å; A198-L214 PolarHBondContact O-N 3.34Å; A198-W224 HydrophobicContact CB-CE3 4.24Å; A198-W224 HydrophobicContact CB-CH2 3.62Å; A198-W224 HydrophobicContact CB-CZ2 4.2Å; A198-W224 HydrophobicContact CB-CZ3 3.62Å |
| 199 | T | 93.4 | Very high | 88.2 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.1 | -179.5 | -44.7 | 0 | 0 | 0 | 0 | 109.5 | S188 E212 | S188-T199 PolarHBondContact N-O 3.2Å; S188-T199 PolarHBondContact O-N 2.75Å; S188-T199 WeakPolarHBondContact OG-CB 3.38Å; S188-T199 PolarHBondContact OG-O 3.04Å; T199-E212 CarbonylContact C-O 3.56Å; T199-E212 WeakPolarHBondContact CA-O 3.09Å; T199-E212 HydrophobicContact CG2-CG 4.29Å |
| 200 | F | 93 | Very high | 88.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.1 | -174.7 | -62 | -95.7 | 0 | 0 | 0 | 110.9 | P179 P182 D186 V187 A198 L208 E212 L214 T228 P229 | P179-F200 HydrophobicContact CB-CE1 4.29Å; P179-F200 HydrophobicContact CB-CZ 3.89Å; P179-F200 HydrophobicContact CG-CZ 4.28Å; P182-F200 HydrophobicContact CG-CD1 4.11Å; D186-F200 WeakPolarHBondContact O-CA 3.48Å; V187-F200 HydrophobicContact CB-CD1 3.76Å; V187-F200 HydrophobicContact CB-CE1 3.81Å; V187-F200 HydrophobicContact CB-CG 4.49Å; V187-F200 HydrophobicContact CG2-CD1 3.68Å; V187-F200 HydrophobicContact CG2-CD2 4.4Å; V187-F200 HydrophobicContact CG2-CE1 3.49Å; V187-F200 VanDerWaalsContact CG2-CE1 3.49Å; V187-F200 HydrophobicContact CG2-CE2 4.2Å; V187-F200 HydrophobicContact CG2-CG 4.15Å; V187-F200 HydrophobicContact CG2-CZ 3.76Å; A198-F200 HydrophobicContact CB-CE2 4.06Å; A198-F200 HydrophobicContact CB-CZ 4.32Å; F200-L208 HydrophobicContact CB-CD1 4.12Å; F200-E212 PolarHBondContact N-O 3Å; F200-L214 HydrophobicContact CD2-CG 4.5Å; F200-L214 HydrophobicContact CE2-CB 4.14Å; F200-L214 HydrophobicContact CE2-CD1 3.65Å; F200-L214 HydrophobicContact CE2-CG 3.68Å; F200-L214 HydrophobicContact CZ-CD1 3.89Å; F200-L214 HydrophobicContact CZ-CG 4.43Å; F200-T228 HydrophobicContact CE1-CG2 4.17Å; F200-T228 HydrophobicContact CZ-CG2 4.06Å; F200-P229 HydrophobicContact CB-CG 3.63Å; F200-P229 HydrophobicContact CD1-CG 3.91Å; F200-P229 HydrophobicContact CD2-CG 3.73Å; F200-P229 HydrophobicContact CE2-CG 4.39Å; F200-P229 HydrophobicContact CG-CG 3.47Å; F200-P229 VanDerWaalsContact CG-CG 3.47Å |
| 201 | H | 90.6 | Very high | 88.3 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.7 | -179.5 | -57.3 | -73.7 | 0 | 0 | 0 | 109.2 | G185 D186 S188 | G185-H201 CarbonylContact C-O 3.59Å; G185-H201 WeakPolarHBondContact CA-O 3.27Å; D186-H201 PolarHBondContact N-O 3.25Å; D186-H201 PolarHBondContact O-N 3.05Å; S188-H201 PolarHBondContact OG-NE2 2.77Å |
| 202 | C | 89.8 | Confident | 88.9 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 149.7 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | L208 C231 | C202-L208 WeakPolarHBondContact SG-CA 3.43Å; C202-L208 WeakPolarHBondContact SG-CD1 3.5Å; C202-L208 PolarHBondContact SG-N 2.9Å; C202-L208 VanDerWaalsContact SG-N 3.44Å; C202-C231 WeakPolarHBondContact CA-SG 3.38Å; C202-C231 HydrophobicContact CB-CB 3.81Å; C202-C231 WeakPolarHBondContact CB-SG 3.35Å; C202-C231 VanDerWaalsContact SG-CA 3.53Å; C202-C231 WeakPolarHBondContact SG-CB 3.46Å; C202-C231 CovalentContact SG-SG 2.04Å; C202-C231 PolarHBondContact SG-SG 3.14Å |
| 203 | D | 86.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 154.1 | 172 | -64.7 | -28.3 | 0 | 0 | 0 | 110.6 | H184 G205 Y206 | H184-D203 VanDerWaalsContact C-CG 3.5Å; H184-D203 VanDerWaalsContact CA-OD2 3.32Å; H184-D203 WeakPolarHBondContact CA-OD2 3.23Å; H184-D203 WeakPolarHBondContact O-CB 3.1Å; H184-D203 PolarHBondContact O-N 2.83Å; D203-G205 PolarHBondContact O-N 3.23Å; D203-Y206 HydrophobicContact CB-CD2 4.28Å; D203-Y206 PolarHBondContact O-N 3.11Å |
| 204 | S | 84.7 | Confident | 89.4 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 130.2 | -179.7 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | R246 | S204-R246 WeakPolarHBondContact OG-CB 3.45Š|
| 205 | G | 83.5 | Confident | 89.7 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -13.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D203 R246 V248 | D203-G205 PolarHBondContact O-N 3.23Å; G205-R246 WeakPolarHBondContact CA-O 3.46Å; G205-V248 WeakPolarHBondContact O-CG2 3.34Å |
| 206 | Y | 86.6 | Confident | 90 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 147.2 | 172.1 | -63.7 | -97.4 | 0 | 0 | 0 | 110.9 | H184 D203 A233 V248 | H184-Y206 HydrophobicContact CB-CD1 3.9Å; H184-Y206 HydrophobicContact CB-CD2 3.84Å; H184-Y206 HydrophobicContact CB-CE1 3.79Å; H184-Y206 HydrophobicContact CB-CE2 3.73Å; H184-Y206 HydrophobicContact CB-CG 3.93Å; H184-Y206 AromaticContact CD2-CE1 3.45Å; H184-Y206 VanDerWaalsContact CD2-CE1 3.45Å; H184-Y206 WeakPolarHBondContact CD2-CE1 3.37Å; H184-Y206 AromaticContact CD2-CZ 3.65Å; H184-Y206 AromaticContact CG-CE1 3.68Å; H184-Y206 AromaticContact CG-CE2 3.97Å; H184-Y206 AromaticContact CG-CZ 3.51Å; H184-Y206 AromaticContact ND1-CZ 3.98Å; D203-Y206 HydrophobicContact CB-CD2 4.28Å; D203-Y206 PolarHBondContact O-N 3.11Å; Y206-A233 HydrophobicContact CD1-CB 4.17Å; Y206-A233 HydrophobicContact CE1-CB 4.04Å; Y206-V248 HydrophobicContact CD2-CG2 4.11Å; Y206-V248 HydrophobicContact CE1-CG2 4.34Å; Y206-V248 HydrophobicContact CE2-CB 4.38Å; Y206-V248 HydrophobicContact CE2-CG1 4.07Å; Y206-V248 HydrophobicContact CE2-CG2 3.85Å; Y206-V248 HydrophobicContact CG-CG2 4.45Å |
| 207 | Q | 85.9 | Confident | 90.1 | Very high | 127 Ų | 127 | 57.3 Ų | 57.3 | 59% | 0.593 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.8 | 174.9 | -67.8 | -175.8 | 0.3 | 0 | 0 | 109.9 | Q209 M232 | Q207-Q209 PolarHBondContact O-N 3.14Å; Q207-M232 PolarHBondContact N-O 3.13Å; Q207-M232 PolarHBondContact O-N 2.87Å |
| 208 | L | 88.8 | Confident | 89.8 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.9 | 179.6 | -165 | 78.9 | 0 | 0 | 0 | 110.3 | F200 C202 E212 P229 | F200-L208 HydrophobicContact CB-CD1 4.12Å; C202-L208 WeakPolarHBondContact SG-CA 3.43Å; C202-L208 WeakPolarHBondContact SG-CD1 3.5Å; C202-L208 PolarHBondContact SG-N 2.9Å; C202-L208 VanDerWaalsContact SG-N 3.44Å; L208-E212 VanDerWaalsContact CD2-CA 3.43Å; L208-E212 HydrophobicContact CD2-CB 3.81Å; L208-E212 HydrophobicContact CD2-CG 4.1Å; L208-P229 HydrophobicContact CD1-CB 3.72Å; L208-P229 HydrophobicContact CD1-CG 3.78Å; L208-P229 HydrophobicContact CD2-CB 4.21Å; L208-P229 HydrophobicContact CD2-CG 4.29Å; L208-P229 HydrophobicContact CG-CB 3.9Å; L208-P229 HydrophobicContact CG-CG 4.3Å |
| 209 | Q | 89.6 | Confident | 89.3 | Confident | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 105.1 | 172.4 | -169.9 | -170.2 | 36 | 0 | 0 | 109.4 | Q207 P229 S230 M232 | Q207-Q209 PolarHBondContact O-N 3.14Å; Q209-P229 WeakPolarHBondContact O-CA 3.42Å; Q209-P229 WeakPolarHBondContact O-CB 3.28Å; Q209-S230 PolarHBondContact N-O 2.85Å; Q209-S230 PolarHBondContact O-N 2.89Å; Q209-S230 PolarHBondContact OE1-OG 3.22Å; Q209-M232 HydrophobicContact CB-CE 4.04Å; Q209-M232 HydrophobicContact CG-CE 4.04Å; Q209-M232 PolarHBondContact OE1-SD 2.94Å |
| 210 | G | 88.3 | Confident | 88.6 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 135.2 | -164 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 211 | E | 91.1 | Very high | 88.1 | Confident | 107 Ų | 107 | 77.8 Ų | 77.8 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | trans | -77.8 | 126.7 | 174.3 | -68.3 | -156.4 | 159.5 | 0 | 0 | 110.9 | T213 L214 N225 P229 | E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 2.85Å; E211-L214 HydrophobicContact CB-CD2 4.01Å; E211-N225 PolarHBondContact OE2-ND2 3.46Å; E211-P229 WeakPolarHBondContact O-CG 3.36Å | ||
| 212 | E | 92.8 | Very high | 87.9 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -64 | -31.6 | 176.9 | -174 | -177.4 | 173.6 | 0 | 0 | 113 | T199 F200 L208 | T199-E212 CarbonylContact C-O 3.56Å; T199-E212 WeakPolarHBondContact CA-O 3.09Å; T199-E212 HydrophobicContact CG2-CG 4.29Å; F200-E212 PolarHBondContact N-O 3Å; L208-E212 VanDerWaalsContact CD2-CA 3.43Å; L208-E212 HydrophobicContact CD2-CB 3.81Å; L208-E212 HydrophobicContact CD2-CG 4.1Å |
| 213 | T | 93.1 | Very high | 87.9 | Confident | 53 Ų | 53 | 75.7 Ų | 75.7 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.1 | -178.4 | -55 | 0 | 0 | 0 | 0 | 110.6 | T197 A198 E211 | T197-T213 HydrophobicContact CG2-CG2 4.37Å; A198-T213 CarbonylContact O-C 3.57Å; A198-T213 VanDerWaalsContact O-CA 3.29Å; A198-T213 WeakPolarHBondContact O-CA 3.5Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 2.85Å |
| 214 | L | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.4 | 171.1 | -60 | -179.1 | 0 | 0 | 0 | 110.7 | T197 A198 F200 E211 W224 N225 | T197-L214 CarbonylContact C-O 3.55Å; T197-L214 VanDerWaalsContact CA-O 3.29Å; T197-L214 WeakPolarHBondContact CA-O 3.46Å; A198-L214 PolarHBondContact N-O 2.96Å; A198-L214 PolarHBondContact O-N 3.34Å; F200-L214 HydrophobicContact CD2-CG 4.5Å; F200-L214 HydrophobicContact CE2-CB 4.14Å; F200-L214 HydrophobicContact CE2-CD1 3.65Å; F200-L214 HydrophobicContact CE2-CG 3.68Å; F200-L214 HydrophobicContact CZ-CD1 3.89Å; F200-L214 HydrophobicContact CZ-CG 4.43Å; E211-L214 HydrophobicContact CB-CD2 4.01Å; L214-W224 HydrophobicContact CB-CB 4.42Å; L214-W224 HydrophobicContact CB-CD2 4.42Å; L214-W224 HydrophobicContact CB-CE3 3.8Å; L214-W224 HydrophobicContact CD1-CB 4.31Å; L214-N225 WeakPolarHBondContact CA-OD1 3.45Å; L214-N225 WeakPolarHBondContact CB-OD1 3.43Å; L214-N225 WeakPolarHBondContact CD2-OD1 3.49Å |
| 215 | I | 93 | Very high | 88.5 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.4 | -177.7 | -51.5 | 178.6 | 0 | 0 | 0 | 109.4 | G196 T197 L217 N225 | G196-I215 WeakPolarHBondContact O-CA 3.37Å; T197-I215 HydrophobicContact CG2-CG1 4.23Å; I215-L217 PolarHBondContact O-N 2.81Å; I215-N225 PolarHBondContact N-OD1 3.44Å; I215-N225 PolarHBondContact O-N 2.98Å; I215-N225 PolarHBondContact O-OD1 3.37Å |
| 216 | C | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116.9 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | C176 L192 G195 G196 W224 | C176-C216 HydrophobicContact CB-CB 3.93Å; C176-C216 WeakPolarHBondContact CB-SG 3.36Å; C176-C216 WeakPolarHBondContact SG-CA 3.07Å; C176-C216 WeakPolarHBondContact SG-CB 3.28Å; C176-C216 CovalentContact SG-SG 2.03Å; C176-C216 PolarHBondContact SG-SG 3.43Å; L192-C216 PolarHBondContact O-SG 2.95Å; L192-C216 VanDerWaalsContact O-SG 3.39Å; G195-C216 PolarHBondContact N-O 2.84Å; G196-C216 PolarHBondContact O-N 3.2Å; C216-W224 HydrophobicContact CB-CE3 4.25Å; C216-W224 HydrophobicContact CB-CH2 4.24Å; C216-W224 HydrophobicContact CB-CZ3 3.97Å |
| 217 | L | 91.2 | Very high | 88.9 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 45% | 0.45 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142.7 | -178.3 | -59.9 | 179.2 | 0 | 0 | 0 | 111.7 | I215 P222 S223 N225 | I215-L217 PolarHBondContact O-N 2.81Å; L217-P222 WeakPolarHBondContact O-CA 3.49Å; L217-P222 WeakPolarHBondContact O-CB 3.33Å; L217-S223 WeakPolarHBondContact CB-O 3.38Å; L217-S223 PolarHBondContact N-O 2.83Å; L217-N225 HydrophobicContact CD1-CB 4.09Å; L217-N225 HydrophobicContact CD2-CB 4.08Å; L217-N225 HydrophobicContact CG-CB 4.06Å |
| 218 | N | 87.2 | Confident | 88.9 | Confident | 143 Ų | 143 | 77.7 Ų | 77.7 | 77% | 0.765 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 128.4 | 176.1 | -168 | 2.8 | 0 | 0 | 0 | 111.1 | P194 | P194-N218 HydrophobicContact CB-CB 3.72Å; P194-N218 HydrophobicContact CG-CB 4.29Å |
| 219 | G | 80.8 | Confident | 89.1 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 38% | 0.381 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -172.7 | 174 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | R221 P222 | G219-R221 PolarHBondContact O-N 2.81Å; G219-P222 WeakPolarHBondContact O-CD 3.16Å |
| 220 | T | 78.4 | Confident | 89.1 | Confident | 119 Ų | 119 | 72.6 Ų | 72.6 | 73% | 0.73 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -65.1 | -21.9 | 174.1 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 221 | R | 83 | Confident | 89.1 | Confident | 202 Ų | 202 | 70.5 Ų | 70.5 | 76% | 0.762 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -134.7 | 94.9 | 163.3 | -65.1 | -178.8 | -174.4 | 172.9 | 1.2 | 107.1 | G219 S223 | G219-R221 PolarHBondContact O-N 2.81Å; R221-S223 PolarHBondContact O-N 2.88Å |
| 222 | P | 84.9 | Confident | 88.8 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | trans | -56.7 | 135.7 | 179 | -25.8 | 36.2 | 0 | 0 | 0 | 111.2 | L173 C176 P194 L217 G219 | L173-P222 WeakPolarHBondContact O-CD 3.5Å; C176-P222 VanDerWaalsContact SG-C 3.55Å; P194-P222 HydrophobicContact CG-CB 4.47Å; P194-P222 HydrophobicContact CG-CG 4.27Å; L217-P222 WeakPolarHBondContact O-CA 3.49Å; L217-P222 WeakPolarHBondContact O-CB 3.33Å; G219-P222 WeakPolarHBondContact O-CD 3.16Å | ||
| 223 | S | 90.5 | Very high | 88.4 | Confident | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 156.1 | 178.2 | 67 | 0 | 0 | 0 | 0 | 110.9 | C176 L217 R221 | C176-S223 PolarHBondContact SG-N 2.7Å; L217-S223 WeakPolarHBondContact CB-O 3.38Å; L217-S223 PolarHBondContact N-O 2.83Å; R221-S223 PolarHBondContact O-N 2.88Å |
| 224 | W | 91.6 | Very high | 87.8 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 148.8 | 172.2 | -61.3 | 104.4 | 0 | 0 | 0 | 110.8 | C176 G177 P179 V189 L192 A198 L214 C216 G226 | C176-W224 HydrophobicContact CB-CD2 4.42Å; C176-W224 HydrophobicContact CB-CZ2 3.93Å; G177-W224 PolarHBondContact O-NE1 3.27Å; P179-W224 HydrophobicContact CG-CZ2 4.09Å; V189-W224 HydrophobicContact CG1-CH2 4.3Å; L192-W224 HydrophobicContact CD2-CZ2 3.96Å; A198-W224 HydrophobicContact CB-CE3 4.24Å; A198-W224 HydrophobicContact CB-CH2 3.62Å; A198-W224 HydrophobicContact CB-CZ2 4.2Å; A198-W224 HydrophobicContact CB-CZ3 3.62Å; L214-W224 HydrophobicContact CB-CB 4.42Å; L214-W224 HydrophobicContact CB-CD2 4.42Å; L214-W224 HydrophobicContact CB-CE3 3.8Å; L214-W224 HydrophobicContact CD1-CB 4.31Å; C216-W224 HydrophobicContact CB-CE3 4.25Å; C216-W224 HydrophobicContact CB-CH2 4.24Å; C216-W224 HydrophobicContact CB-CZ3 3.97Å; W224-G226 PolarHBondContact O-N 2.83Å |
| 225 | N | 92.4 | Very high | 87.3 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -69.9 | -13.1 | -178.5 | 68.9 | -45.6 | 0 | 0 | 0 | 114.6 | E211 L214 I215 L217 | E211-N225 PolarHBondContact OE2-ND2 3.46Å; L214-N225 WeakPolarHBondContact CA-OD1 3.45Å; L214-N225 WeakPolarHBondContact CB-OD1 3.43Å; L214-N225 WeakPolarHBondContact CD2-OD1 3.49Å; I215-N225 PolarHBondContact N-OD1 3.44Å; I215-N225 PolarHBondContact O-N 2.98Å; I215-N225 PolarHBondContact O-OD1 3.37Å; L217-N225 HydrophobicContact CD1-CB 4.09Å; L217-N225 HydrophobicContact CD2-CB 4.08Å; L217-N225 HydrophobicContact CG-CB 4.06Å |
| 226 | G | 89.3 | Confident | 86.9 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -153.5 | -180 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W224 | W224-G226 PolarHBondContact O-N 2.83Š|
| 227 | E | 90.3 | Very high | 86.7 | Confident | 182 Ų | 182 | 65.8 Ų | 65.8 | 85% | 0.85 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 151.2 | 173.5 | -63.9 | -174.6 | 168.6 | 0 | 0 | 110.6 | ||
| 228 | T | 86.2 | Confident | 86.8 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 128.7 | 176.9 | 48 | 0 | 0 | 0 | 0 | 110.5 | P179 P180 F200 | P179-T228 HydrophobicContact CB-CG2 4.39Å; P180-T228 HydrophobicContact CG-CG2 3.85Å; F200-T228 HydrophobicContact CE1-CG2 4.17Å; F200-T228 HydrophobicContact CZ-CG2 4.06Å |
| 229 | P | 91.9 | Very high | 87 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 156.1 | 179.2 | 30.6 | -38 | 0 | 0 | 0 | 111.4 | F200 L208 Q209 E211 | F200-P229 HydrophobicContact CB-CG 3.63Å; F200-P229 HydrophobicContact CD1-CG 3.91Å; F200-P229 HydrophobicContact CD2-CG 3.73Å; F200-P229 HydrophobicContact CE2-CG 4.39Å; F200-P229 HydrophobicContact CG-CG 3.47Å; F200-P229 VanDerWaalsContact CG-CG 3.47Å; L208-P229 HydrophobicContact CD1-CB 3.72Å; L208-P229 HydrophobicContact CD1-CG 3.78Å; L208-P229 HydrophobicContact CD2-CB 4.21Å; L208-P229 HydrophobicContact CD2-CG 4.29Å; L208-P229 HydrophobicContact CG-CB 3.9Å; L208-P229 HydrophobicContact CG-CG 4.3Å; Q209-P229 WeakPolarHBondContact O-CA 3.42Å; Q209-P229 WeakPolarHBondContact O-CB 3.28Å; E211-P229 WeakPolarHBondContact O-CG 3.36Å |
| 230 | S | 89.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.6 | 175.3 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | Q209 | Q209-S230 PolarHBondContact N-O 2.85Å; Q209-S230 PolarHBondContact O-N 2.89Å; Q209-S230 PolarHBondContact OE1-OG 3.22Å |
| 231 | C | 88.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 9% | 0.088 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.1 | 171.2 | -67.2 | 0 | 0 | 0 | 0 | 109 | A183 C202 | A183-C231 WeakPolarHBondContact O-CB 3.43Å; C202-C231 WeakPolarHBondContact CA-SG 3.38Å; C202-C231 HydrophobicContact CB-CB 3.81Å; C202-C231 WeakPolarHBondContact CB-SG 3.35Å; C202-C231 VanDerWaalsContact SG-CA 3.53Å; C202-C231 WeakPolarHBondContact SG-CB 3.46Å; C202-C231 CovalentContact SG-SG 2.04Å; C202-C231 PolarHBondContact SG-SG 3.14Å |
| 232 | M | 84.2 | Confident | 88.5 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.6 | -177.8 | -63.6 | -161.3 | -51.3 | 0 | 0 | 111.7 | Q207 Q209 | Q207-M232 PolarHBondContact N-O 3.13Å; Q207-M232 PolarHBondContact O-N 2.87Å; Q209-M232 HydrophobicContact CB-CE 4.04Å; Q209-M232 HydrophobicContact CG-CE 4.04Å; Q209-M232 PolarHBondContact OE1-SD 2.94Å |
| 233 | A | 84.5 | Confident | 88.9 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 132 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y206 V248 | Y206-A233 HydrophobicContact CD1-CB 4.17Å; Y206-A233 HydrophobicContact CE1-CB 4.04Å; A233-V248 HydrophobicContact CB-CB 4.3Å; A233-V248 HydrophobicContact CB-CG2 3.55Å |
| 234 | S | 81.6 | Confident | 89 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -87.2 | 118.2 | 174.1 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | G236 W264 | S234-G236 PolarHBondContact O-N 3.29Å; S234-W264 PolarHBondContact O-NE1 2.92Å | ||
| 235 | C | 81.6 | Confident | 88.9 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 35% | 0.345 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -73.9 | 89.7 | 174 | -178 | 0 | 0 | 0 | 0 | 110.7 | P250 L260 T261 C262 | C235-P250 HydrophobicContact CB-CG 3.72Å; C235-L260 HydrophobicContact CB-CD1 4.33Å; C235-L260 WeakPolarHBondContact SG-CD1 3.41Å; C235-T261 PolarHBondContact SG-O 3.18Å; C235-C262 VanDerWaalsContact CA-SG 3.53Å; C235-C262 HydrophobicContact CB-CB 4.1Å; C235-C262 WeakPolarHBondContact CB-SG 3.38Å; C235-C262 WeakPolarHBondContact SG-CA 3.17Å; C235-C262 WeakPolarHBondContact SG-CB 3.27Å; C235-C262 CovalentContact SG-SG 2.03Å; C235-C262 PolarHBondContact SG-SG 3.1Å |
| 236 | G | 84.5 | Confident | 88.8 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | trans | 92.1 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S234 R263 W264 | S234-G236 PolarHBondContact O-N 3.29Å; G236-R263 CarbonylContact C-O 3.44Å; G236-R263 WeakPolarHBondContact CA-O 3.13Å; G236-W264 VanDerWaalsContact CA-CD1 3.49Å; G236-W264 VanDerWaalsContact N-CE2 3.32Å; G236-W264 VanDerWaalsContact N-NE1 3.14Å | ||
| 237 | G | 89.1 | Confident | 88.9 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.2 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R263 W264 V265 | G237-R263 PolarHBondContact N-O 2.83Å; G237-W264 VanDerWaalsContact O-CA 3.31Å; G237-W264 WeakPolarHBondContact O-CA 3.47Å; G237-V265 PolarHBondContact O-N 3.45Å |
| 238 | T | 91.7 | Very high | 88.8 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.6 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | H240 V265 | T238-H240 WeakPolarHBondContact CG2-CE1 3.47Å; T238-V265 CarbonylContact C-O 3.58Å; T238-V265 WeakPolarHBondContact CA-O 3.48Å; T238-V265 HydrophobicContact CG2-CB 4.01Å; T238-V265 HydrophobicContact CG2-CG1 4.28Å |
| 239 | I | 91.9 | Very high | 88.8 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105.2 | 178.1 | -54.8 | 177.6 | 0 | 0 | 0 | 107.1 | A242 I247 V265 I266 E267 F342 | I239-A242 HydrophobicContact CG2-CB 4.1Å; I239-I247 HydrophobicContact CD1-CG2 3.94Å; I239-V265 PolarHBondContact N-O 2.78Å; I239-I266 HydrophobicContact CD1-CG1 4.46Å; I239-E267 PolarHBondContact O-N 3.43Å; I239-F342 HydrophobicContact CD1-CE1 3.59Å; I239-F342 HydrophobicContact CD1-CZ 3.62Å; I239-F342 HydrophobicContact CG2-CE2 4.39Å; I239-F342 HydrophobicContact CG2-CZ 4.03Å |
| 240 | H | 92.1 | Very high | 88.1 | Confident | 123 Ų | 123 | 48 Ų | 48 | 57% | 0.569 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 150.1 | 176.9 | -59.5 | -66.9 | 0 | 0 | 0 | 111.3 | T238 A242 E267 | T238-H240 WeakPolarHBondContact CG2-CE1 3.47Å; H240-A242 PolarHBondContact O-N 2.79Å; H240-E267 CarbonylContact C-O 3.57Å; H240-E267 IonicContact CE1-OE2 2.77Å; H240-E267 PolarHBondContact CE1-OE2 2.91Å; H240-E267 IonicContact CG-OE2 2.95Å; H240-E267 IonicContact ND1-OE2 3.58Å; H240-E267 PolarHBondContact ND1-OE2 3.25Å |
| 241 | N | 91.6 | Very high | 87.2 | Confident | 122 Ų | 122 | 51.3 Ų | 51.3 | 65% | 0.652 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.4 | 44.9 | -177.6 | -68.2 | -35.1 | 0 | 0 | 0 | 112.3 | T243 E267 | N241-T243 PolarHBondContact O-N 3.37Å; N241-E267 WeakPolarHBondContact CA-O 3.45Å; N241-E267 PolarHBondContact N-O 2.95Å |
| 242 | A | 90.9 | Very high | 85.6 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 130.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I239 H240 I266 E267 L274 F342 A344 | I239-A242 HydrophobicContact CG2-CB 4.1Å; H240-A242 PolarHBondContact O-N 2.79Å; A242-I266 HydrophobicContact CB-CG2 3.54Å; A242-E267 WeakPolarHBondContact CB-O 3.35Å; A242-E267 PolarHBondContact N-O 2.94Å; A242-L274 HydrophobicContact CB-CD2 4.2Å; A242-F342 HydrophobicContact CB-CD2 4.19Å; A242-F342 HydrophobicContact CB-CE2 3.81Å; A242-A344 WeakPolarHBondContact O-CB 3.36Å |
| 243 | T | 92.2 | Very high | 84.2 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 53% | 0.534 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -118.9 | -58.7 | 174 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | N241 E343 A344 | N241-T243 PolarHBondContact O-N 3.37Å; T243-E343 CarbonylContact O-C 3.59Å; T243-E343 WeakPolarHBondContact O-CA 3.45Å; T243-A344 PolarHBondContact O-N 3.18Å |
| 244 | L | 92.3 | Very high | 82.7 | Confident | 97 Ų | 97 | 54.4 Ų | 54.4 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 139.7 | 174 | -179.1 | 73.3 | 0 | 0 | 0 | 108.3 | F342 E343 | L244-F342 WeakPolarHBondContact CA-O 3.44Å; L244-F342 WeakPolarHBondContact CD1-O 3.34Å; L244-E343 HydrophobicContact CD1-CB 4Å; L244-E343 HydrophobicContact CD1-CG 4.2Å |
| 245 | G | 90.5 | Very high | 81 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | -167.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R341 F342 | G245-R341 WeakPolarHBondContact O-CA 3.19Å; G245-F342 VanDerWaalsContact CA-CZ 3.42Å; G245-F342 PolarHBondContact N-O 3.12Å; G245-F342 PolarHBondContact O-N 2.96Å |
| 246 | R | 90.6 | Very high | 79.7 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.8 | -177.6 | -170.3 | -173.2 | -73.5 | -127.9 | 2.2 | 110 | S204 G205 V248 E279 S339 L340 | S204-R246 WeakPolarHBondContact OG-CB 3.45Å; G205-R246 WeakPolarHBondContact CA-O 3.46Å; R246-V248 HydrophobicContact CG-CG1 4.18Å; R246-E279 IonicContact CZ-OE1 3.95Å; R246-E279 IonicContact CZ-OE2 3.65Å; R246-E279 IonicContact NE-OE2 3.68Å; R246-E279 PolarHBondContact NE-OE2 3.23Å; R246-E279 VanDerWaalsContact NE-OE2 3.13Å; R246-E279 IonicContact NH1-OE1 3.67Å; R246-E279 IonicContact NH1-OE2 2.7Å; R246-E279 PolarHBondContact NH1-OE2 3.22Å; R246-E279 IonicContact NH2-OE1 3.83Å; R246-E279 PolarHBondContact NH2-OE1 2.97Å; R246-E279 IonicContact NH2-OE2 3.97Å; R246-E279 PolarHBondContact NH2-OE2 2.9Å; R246-S339 WeakPolarHBondContact CD-OG 3.35Å; R246-S339 PolarHBondContact NH1-OG 3.49Å; R246-S339 VanDerWaalsContact NH1-OG 3.12Å; R246-L340 CarbonylContact C-O 3.54Å; R246-L340 VanDerWaalsContact CA-O 3.26Å; R246-L340 WeakPolarHBondContact CA-O 3.02Å; R246-L340 WeakPolarHBondContact CG-O 3.49Å |
| 247 | I | 91.6 | Very high | 78.4 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.1 | 167.3 | 58.7 | 174.1 | 0 | 0 | 0 | 108.9 | I239 W264 I266 V325 S339 L340 F342 | I239-I247 HydrophobicContact CD1-CG2 3.94Å; I247-W264 HydrophobicContact CB-CD2 4.45Å; I247-W264 HydrophobicContact CB-CG 4.4Å; I247-W264 HydrophobicContact CD1-CB 4.3Å; I247-W264 HydrophobicContact CD1-CD2 4.15Å; I247-W264 HydrophobicContact CD1-CE3 4.22Å; I247-W264 HydrophobicContact CD1-CG 4.21Å; I247-W264 HydrophobicContact CG2-CB 4.5Å; I247-W264 HydrophobicContact CG2-CG 4.12Å; I247-I266 HydrophobicContact CD1-CD1 4.42Å; I247-V325 HydrophobicContact CD1-CB 4.19Å; I247-V325 HydrophobicContact CD1-CG1 4.03Å; I247-V325 HydrophobicContact CD1-CG2 4.15Å; I247-S339 WeakPolarHBondContact O-CA 3.08Å; I247-L340 HydrophobicContact CD1-CB 4.17Å; I247-L340 HydrophobicContact CD1-CD1 3.9Å; I247-L340 HydrophobicContact CG1-CB 3.71Å; I247-L340 HydrophobicContact CG1-CD1 4.28Å; I247-L340 HydrophobicContact CG1-CG 4.36Å; I247-L340 PolarHBondContact N-O 2.98Å; I247-L340 PolarHBondContact O-N 3.25Å; I247-F342 HydrophobicContact CG2-CD1 4.37Å; I247-F342 HydrophobicContact CG2-CE1 4.1Å |
| 248 | V | 88.1 | Confident | 77 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.3 | -177.2 | -74.9 | 0 | 0 | 0 | 0 | 110.7 | G205 Y206 A233 R246 L338 | G205-V248 WeakPolarHBondContact O-CG2 3.34Å; Y206-V248 HydrophobicContact CD2-CG2 4.11Å; Y206-V248 HydrophobicContact CE1-CG2 4.34Å; Y206-V248 HydrophobicContact CE2-CB 4.38Å; Y206-V248 HydrophobicContact CE2-CG1 4.07Å; Y206-V248 HydrophobicContact CE2-CG2 3.85Å; Y206-V248 HydrophobicContact CG-CG2 4.45Å; A233-V248 HydrophobicContact CB-CB 4.3Å; A233-V248 HydrophobicContact CB-CG2 3.55Å; R246-V248 HydrophobicContact CG-CG1 4.18Å; V248-L338 CarbonylContact C-O 3.43Å; V248-L338 VanDerWaalsContact CA-O 3.23Å; V248-L338 WeakPolarHBondContact CA-O 3.03Å |
| 249 | S | 84.8 | Confident | 76 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 148.2 | 169.3 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | L336 L338 | S249-L336 PolarHBondContact OG-O 3.35Å; S249-L336 VanDerWaalsContact OG-O 3.07Å; S249-L338 PolarHBondContact N-O 3.43Å; S249-L338 PolarHBondContact OG-N 3.33Å |
| 250 | P | 79.2 | Confident | 75.3 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 147.2 | 168.2 | -18.9 | 29.9 | 0 | 0 | 0 | 112.9 | C235 L260 | C235-P250 HydrophobicContact CB-CG 3.72Å; P250-L260 HydrophobicContact CG-CD1 4.28Å |
| 251 | E | 68.9 | Low | 75 | Confident | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 149 | 175.8 | -66.2 | -177.3 | 176 | 0 | 0 | 112.4 | H184 G253 G254 | H184-E251 IonicContact CD2-OE1 3.36Å; H184-E251 IonicContact CE1-OE1 2.65Å; H184-E251 IonicContact NE2-OE1 3.57Å; H184-E251 PolarHBondContact NE2-OE1 2.86Å; E251-G253 PolarHBondContact O-N 2.84Å; E251-G254 PolarHBondContact O-N 2.04Å |
| 252 | P | 55.8 | Low | 74.9 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 116.7 | 171.2 | -26.8 | 35.9 | 0 | 0 | 0 | 112.8 | P332 | P252-P332 WeakPolarHBondContact CB-O 3.4Å; P252-P332 WeakPolarHBondContact CG-O 3.25Å |
| 253 | G | 54.3 | Low | 75 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 83% | 0.825 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E251 | E251-G253 PolarHBondContact O-N 2.84Š|
| 254 | G | 53.6 | Low | 75.1 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -60.7 | 156.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E251 V256 | E251-G254 PolarHBondContact O-N 2.04Å; G254-V256 PolarHBondContact O-N 3.08Å |
| 255 | A | 46.2 | Very low | 75.2 | Confident | 118 Ų | 118 | 52.6 Ų | 52.6 | 98% | 0.975 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -65.6 | 40.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 256 | V | 54 | Low | 75.4 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | trans | -108.6 | 135.8 | -177.8 | -169.8 | 0 | 0 | 0 | 0 | 108.1 | G254 L260 | G254-V256 PolarHBondContact O-N 3.08Å; V256-L260 HydrophobicContact CG1-CD1 3.69Å | ||
| 257 | G | 56.5 | Low | 75.6 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | trans | -61.6 | -176.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | N259 | G257-N259 PolarHBondContact O-N 3.45Å; G257-N259 VanDerWaalsContact O-N 3.1Å | ||
| 258 | P | 59.8 | Low | 75.7 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -63 | -20.8 | -172.8 | 25.2 | -34.5 | 0 | 0 | 0 | 114.4 | E330 P332 | P258-E330 CarbonylContact O-C 3.56Å; P258-P332 WeakPolarHBondContact O-CD 3.32Å |
| 259 | N | 70.8 | Confident | 75.9 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -121.1 | 127.4 | -179.8 | -59.9 | 35.4 | 0 | 0 | 0 | 109.2 | G257 S329 | G257-N259 PolarHBondContact O-N 3.45Å; G257-N259 VanDerWaalsContact O-N 3.1Å; N259-S329 CarbonylContact C-O 3.58Å; N259-S329 WeakPolarHBondContact CA-O 3.47Å |
| 260 | L | 78.3 | Confident | 76.1 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.3 | 179.1 | -177.3 | 74.2 | 0 | 0 | 0 | 109.4 | C235 P250 V256 S329 L336 | C235-L260 HydrophobicContact CB-CD1 4.33Å; C235-L260 WeakPolarHBondContact SG-CD1 3.41Å; P250-L260 HydrophobicContact CG-CD1 4.28Å; V256-L260 HydrophobicContact CG1-CD1 3.69Å; L260-S329 PolarHBondContact N-O 3.28Å; L260-S329 PolarHBondContact O-N 3.31Å; L260-L336 HydrophobicContact CD2-CD2 3.52Å |
| 261 | T | 86.1 | Confident | 76.4 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 103.8 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | C235 L327 L328 | C235-T261 PolarHBondContact SG-O 3.18Å; T261-L327 CarbonylContact C-O 3.53Å; T261-L327 WeakPolarHBondContact CA-O 3.37Å; T261-L328 HydrophobicContact CG2-CD2 3.54Å |
| 262 | C | 88.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.1 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | C235 W264 E326 L327 | C235-C262 VanDerWaalsContact CA-SG 3.53Å; C235-C262 HydrophobicContact CB-CB 4.1Å; C235-C262 WeakPolarHBondContact CB-SG 3.38Å; C235-C262 WeakPolarHBondContact SG-CA 3.17Å; C235-C262 WeakPolarHBondContact SG-CB 3.27Å; C235-C262 CovalentContact SG-SG 2.03Å; C235-C262 PolarHBondContact SG-SG 3.1Å; C262-W264 HydrophobicContact CB-CD2 4.5Å; C262-W264 HydrophobicContact CB-CE3 4.07Å; C262-W264 HydrophobicContact CB-CH2 3.08Å; C262-W264 HydrophobicContact CB-CZ2 3.54Å; C262-W264 HydrophobicContact CB-CZ3 3.37Å; C262-E326 WeakPolarHBondContact O-CA 3.34Å; C262-L327 HydrophobicContact CB-CB 4.32Å; C262-L327 PolarHBondContact N-O 3.01Å; C262-L327 PolarHBondContact O-N 3.2Å |
| 263 | R | 92.3 | Very high | 79.1 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 114.8 | -177.6 | -69.2 | 173.2 | 174.9 | 141.7 | 4.7 | 110.1 | G236 G237 Y324 V325 E326 | G236-R263 CarbonylContact C-O 3.44Å; G236-R263 WeakPolarHBondContact CA-O 3.13Å; G237-R263 PolarHBondContact N-O 2.83Å; R263-Y324 WeakPolarHBondContact CD-OH 3.38Å; R263-Y324 WeakPolarHBondContact CG-OH 3.44Å; R263-Y324 PolarHBondContact NE-OH 2.84Å; R263-V325 CarbonylContact C-O 3.55Å; R263-V325 WeakPolarHBondContact CA-O 3.43Å; R263-E326 HydrophobicContact CG-CG 4.14Å; R263-E326 IonicContact CZ-OE1 3.67Å; R263-E326 IonicContact NE-OE1 3.81Å; R263-E326 PolarHBondContact NE-OE1 3.46Å; R263-E326 IonicContact NH2-OE1 2.66Å; R263-E326 PolarHBondContact NH2-OE1 2.79Å |
| 264 | W | 94.1 | Very high | 81 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 2% | 0.023 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.3 | 178.2 | -58.9 | -90.9 | 0 | 0 | 0 | 110.6 | S234 G236 G237 I247 C262 Y324 V325 L327 L338 | S234-W264 PolarHBondContact O-NE1 2.92Å; G236-W264 VanDerWaalsContact CA-CD1 3.49Å; G236-W264 VanDerWaalsContact N-CE2 3.32Å; G236-W264 VanDerWaalsContact N-NE1 3.14Å; G237-W264 VanDerWaalsContact O-CA 3.31Å; G237-W264 WeakPolarHBondContact O-CA 3.47Å; I247-W264 HydrophobicContact CB-CD2 4.45Å; I247-W264 HydrophobicContact CB-CG 4.4Å; I247-W264 HydrophobicContact CD1-CB 4.3Å; I247-W264 HydrophobicContact CD1-CD2 4.15Å; I247-W264 HydrophobicContact CD1-CE3 4.22Å; I247-W264 HydrophobicContact CD1-CG 4.21Å; I247-W264 HydrophobicContact CG2-CB 4.5Å; I247-W264 HydrophobicContact CG2-CG 4.12Å; C262-W264 HydrophobicContact CB-CD2 4.5Å; C262-W264 HydrophobicContact CB-CE3 4.07Å; C262-W264 HydrophobicContact CB-CH2 3.08Å; C262-W264 HydrophobicContact CB-CZ2 3.54Å; C262-W264 HydrophobicContact CB-CZ3 3.37Å; W264-Y324 WeakPolarHBondContact O-CA 3.01Å; W264-V325 HydrophobicContact CB-CB 4.38Å; W264-V325 HydrophobicContact CE3-CB 4.29Å; W264-V325 HydrophobicContact CE3-CG1 4.08Å; W264-V325 PolarHBondContact N-O 2.94Å; W264-V325 PolarHBondContact O-N 3.24Å; W264-L327 HydrophobicContact CH2-CB 4.37Å; W264-L327 HydrophobicContact CH2-CD2 4.34Å; W264-L327 HydrophobicContact CZ3-CB 3.89Å; W264-L338 HydrophobicContact CH2-CD2 4.32Å; W264-L338 HydrophobicContact CZ3-CD2 4.17Å |
| 265 | V | 94.8 | Very high | 82.9 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.6 | 170.3 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | G237 T238 I239 E267 L323 Y324 | G237-V265 PolarHBondContact O-N 3.45Å; T238-V265 CarbonylContact C-O 3.58Å; T238-V265 WeakPolarHBondContact CA-O 3.48Å; T238-V265 HydrophobicContact CG2-CB 4.01Å; T238-V265 HydrophobicContact CG2-CG1 4.28Å; I239-V265 PolarHBondContact N-O 2.78Å; V265-E267 HydrophobicContact CG1-CG 4.03Å; V265-L323 WeakPolarHBondContact CA-O 3.05Å; V265-Y324 HydrophobicContact CG2-CD2 3.75Å; V265-Y324 HydrophobicContact CG2-CE2 4.22Å |
| 266 | I | 95.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121 | -179.4 | -51.6 | 171.1 | 0 | 0 | 0 | 106.7 | I239 A242 I247 L274 L276 S322 L323 F342 | I239-I266 HydrophobicContact CD1-CG1 4.46Å; A242-I266 HydrophobicContact CB-CG2 3.54Å; I247-I266 HydrophobicContact CD1-CD1 4.42Å; I266-L274 HydrophobicContact CB-CD1 4.03Å; I266-L274 HydrophobicContact CG2-CD1 3.74Å; I266-L274 HydrophobicContact CG2-CD2 3.84Å; I266-L274 HydrophobicContact CG2-CG 4.46Å; I266-L274 WeakPolarHBondContact O-CD1 3.41Å; I266-L276 HydrophobicContact CD1-CD2 4.08Å; I266-S322 CarbonylContact O-C 3.6Å; I266-S322 WeakPolarHBondContact O-CA 3.49Å; I266-S322 WeakPolarHBondContact O-CB 3.14Å; I266-L323 HydrophobicContact CB-CB 4.48Å; I266-L323 PolarHBondContact N-O 2.88Å; I266-L323 PolarHBondContact O-N 3.36Å; I266-F342 HydrophobicContact CD1-CB 4.13Å; I266-F342 HydrophobicContact CD1-CD1 3.84Å; I266-F342 HydrophobicContact CD1-CE1 4.47Å; I266-F342 HydrophobicContact CD1-CG 4.01Å; I266-F342 HydrophobicContact CG2-CD2 3.91Å; I266-F342 HydrophobicContact CG2-CE2 4.17Å; I266-F342 HydrophobicContact CG2-CG 4.16Å |
| 267 | E | 94.7 | Very high | 86.8 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 115.3 | -178.2 | -62.1 | -178.7 | 165.1 | 0 | 0 | 110 | I239 H240 N241 A242 V265 | I239-E267 PolarHBondContact O-N 3.43Å; H240-E267 CarbonylContact C-O 3.57Å; H240-E267 IonicContact CE1-OE2 2.77Å; H240-E267 PolarHBondContact CE1-OE2 2.91Å; H240-E267 IonicContact CG-OE2 2.95Å; H240-E267 IonicContact ND1-OE2 3.58Å; H240-E267 PolarHBondContact ND1-OE2 3.25Å; N241-E267 WeakPolarHBondContact CA-O 3.45Å; N241-E267 PolarHBondContact N-O 2.95Å; A242-E267 WeakPolarHBondContact CB-O 3.35Å; A242-E267 PolarHBondContact N-O 2.94Å; V265-E267 HydrophobicContact CG1-CG 4.03Å |
| 268 | A | 94.5 | Very high | 88.2 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 165.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R272 L274 Q321 A344 | A268-R272 HydrophobicContact CB-CB 3.98Å; A268-L274 HydrophobicContact CB-CD1 4.43Å; A268-L274 HydrophobicContact CB-CD2 3.96Å; A268-L274 HydrophobicContact CB-CG 4Å; A268-Q321 PolarHBondContact N-O 3.22Å; A268-A344 HydrophobicContact CB-CB 3.81Å |
| 269 | A | 92.2 | Very high | 89.2 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 156.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G271 R272 | A269-G271 PolarHBondContact O-N 2.84Å; A269-R272 WeakPolarHBondContact O-CB 3.47Å; A269-R272 PolarHBondContact O-N 2.99Å |
| 270 | E | 88.2 | Confident | 89.6 | Confident | 177 Ų | 177 | 43.1 Ų | 43.1 | 83% | 0.827 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.5 | 179.6 | -66.5 | -175.4 | 168.9 | 0 | 0 | 112 | R272 | E270-R272 VanDerWaalsContact C-N 3.34Š|
| 271 | G | 85.5 | Confident | 89.7 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 9.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | A269 | A269-G271 PolarHBondContact O-N 2.84Š|
| 272 | R | 91.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.5 | 175.5 | -60.6 | -174.5 | 177.3 | -148.9 | -9.8 | 111.9 | A268 A269 E270 Q321 A344 F345 E346 | A268-R272 HydrophobicContact CB-CB 3.98Å; A269-R272 WeakPolarHBondContact O-CB 3.47Å; A269-R272 PolarHBondContact O-N 2.99Å; E270-R272 VanDerWaalsContact C-N 3.34Å; R272-Q321 WeakPolarHBondContact O-CA 3.29Å; R272-A344 HydrophobicContact CB-CB 4.47Å; R272-F345 CarbonylContact C-O 3.54Å; R272-F345 WeakPolarHBondContact CA-O 3.47Å; R272-F345 WeakPolarHBondContact CB-O 3.38Å; R272-E346 HydrophobicContact CG-CG 4.41Å; R272-E346 IonicContact NH2-OE1 2.84Å |
| 273 | R | 91.4 | Very high | 88.9 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 161.9 | 168.8 | -66.3 | -179.5 | -172.9 | -172.2 | 6.7 | 109.7 | S318 A344 F345 E347 | R273-S318 WeakPolarHBondContact CD-O 3.24Å; R273-S318 WeakPolarHBondContact CG-O 3.46Å; R273-A344 CarbonylContact O-C 3.6Å; R273-A344 VanDerWaalsContact O-CA 3.28Å; R273-A344 WeakPolarHBondContact O-CA 3.38Å; R273-F345 HydrophobicContact CB-CE1 3.9Å; R273-F345 HydrophobicContact CB-CE2 4.45Å; R273-F345 HydrophobicContact CB-CZ 3.87Å; R273-F345 PolarHBondContact N-O 2.78Å; R273-F345 WeakPolarHBondContact O-CD1 3.26Å; R273-F345 PolarHBondContact O-N 3.09Å; R273-E347 HydrophobicContact CG-CG 4.07Å; R273-E347 IonicContact CZ-OE1 2.7Å; R273-E347 VanDerWaalsContact CZ-OE1 3.25Å; R273-E347 IonicContact NE-OE1 3.78Å; R273-E347 PolarHBondContact NE-OE1 2.88Å; R273-E347 IonicContact NH2-OE1 3.25Å; R273-E347 PolarHBondContact NH2-OE1 2.88Å |
| 274 | L | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.1 | 178.3 | -71 | 163.9 | 0 | 0 | 0 | 109.3 | A242 I266 A268 I317 S318 L323 E343 A344 | A242-L274 HydrophobicContact CB-CD2 4.2Å; I266-L274 HydrophobicContact CB-CD1 4.03Å; I266-L274 HydrophobicContact CG2-CD1 3.74Å; I266-L274 HydrophobicContact CG2-CD2 3.84Å; I266-L274 HydrophobicContact CG2-CG 4.46Å; I266-L274 WeakPolarHBondContact O-CD1 3.41Å; A268-L274 HydrophobicContact CB-CD1 4.43Å; A268-L274 HydrophobicContact CB-CD2 3.96Å; A268-L274 HydrophobicContact CB-CG 4Å; L274-I317 CarbonylContact O-C 3.51Å; L274-I317 WeakPolarHBondContact O-CA 3.14Å; L274-S318 WeakPolarHBondContact CB-OG 3.09Å; L274-S318 PolarHBondContact N-OG 2.79Å; L274-S318 PolarHBondContact O-N 2.87Å; L274-S318 PolarHBondContact O-OG 2.83Å; L274-L323 HydrophobicContact CB-CD1 3.45Å; L274-L323 VanDerWaalsContact CB-CD1 3.45Å; L274-L323 HydrophobicContact CB-CG 4.07Å; L274-L323 HydrophobicContact CD1-CB 4.16Å; L274-L323 HydrophobicContact CD1-CD1 4.06Å; L274-L323 HydrophobicContact CD1-CG 3.96Å; L274-L323 HydrophobicContact CG-CD1 4.4Å; L274-E343 CarbonylContact C-O 3.59Å; L274-E343 WeakPolarHBondContact CA-O 3.45Å; L274-A344 HydrophobicContact CD2-CB 3.91Å |
| 275 | H | 92.6 | Very high | 87.3 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.5 | 165.5 | 177.8 | -114.5 | 0 | 0 | 0 | 108.8 | R314 L316 F342 E343 F345 F351 | H275-R314 PolarHBondContact NE2-O 2.84Å; H275-L316 CarbonylContact C-O 3.6Å; H275-L316 WeakPolarHBondContact CA-O 3.49Å; H275-L316 PolarHBondContact CD2-O 2.89Å; H275-F342 CarbonylContact O-C 3.49Å; H275-F342 VanDerWaalsContact O-CA 3.24Å; H275-F342 WeakPolarHBondContact O-CA 3.4Å; H275-E343 PolarHBondContact N-O 2.68Å; H275-E343 PolarHBondContact O-N 2.94Å; H275-F345 HydrophobicContact CB-CD1 4.11Å; H275-F345 HydrophobicContact CB-CE1 3.79Å; H275-F351 HydrophobicContact CB-CB 4.05Å; H275-F351 HydrophobicContact CB-CD1 4.36Å; H275-F351 HydrophobicContact CB-CG 4.07Å; H275-F351 AromaticContact CD2-CD1 3.91Å; H275-F351 AromaticContact CD2-CE1 3.77Å; H275-F351 AromaticContact CD2-CZ 3.82Å; H275-F351 AromaticContact CE1-CD2 3.55Å; H275-F351 AromaticContact CE1-CE2 3.21Å; H275-F351 WeakPolarHBondContact CE1-CE2 3.39Å; H275-F351 AromaticContact CE1-CZ 3.62Å; H275-F351 AromaticContact CG-CD2 3.84Å; H275-F351 AromaticContact CG-CG 3.78Å; H275-F351 AromaticContact ND1-CD2 3.48Å; H275-F351 WeakPolarHBondContact ND1-CD2 3.45Å; H275-F351 AromaticContact ND1-CE2 3.67Å; H275-F351 AromaticContact ND1-CG 3.91Å; H275-F351 AromaticContact NE2-CD2 3.99Å; H275-F351 AromaticContact NE2-CE1 3.78Å; H275-F351 AromaticContact NE2-CE2 3.47Å; H275-F351 WeakPolarHBondContact NE2-CE2 3.08Å; H275-F351 AromaticContact NE2-CZ 3.33Å; H275-F351 VanDerWaalsContact NE2-CZ 3.33Å; H275-F351 WeakPolarHBondContact NE2-CZ 3.3Å |
| 276 | L | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.2 | 172.7 | -83.4 | 174.8 | 0 | 0 | 0 | 109.4 | I266 V292 G315 L316 L323 V325 L340 R341 F342 | I266-L276 HydrophobicContact CD1-CD2 4.08Å; L276-V292 HydrophobicContact CD1-CG1 3.66Å; L276-V292 HydrophobicContact CD1-CG2 4.45Å; L276-G315 CarbonylContact O-C 3.57Å; L276-G315 WeakPolarHBondContact O-CA 3.34Å; L276-L316 HydrophobicContact CB-CB 4.31Å; L276-L316 PolarHBondContact N-O 2.97Å; L276-L316 PolarHBondContact O-N 3.02Å; L276-L323 HydrophobicContact CD1-CD1 3.52Å; L276-L323 HydrophobicContact CG-CD1 3.6Å; L276-V325 HydrophobicContact CD1-CG2 4.05Å; L276-L340 HydrophobicContact CD2-CB 4.35Å; L276-R341 CarbonylContact C-O 3.44Å; L276-R341 WeakPolarHBondContact CA-O 3.45Å; L276-F342 HydrophobicContact CD2-CB 3.76Å |
| 277 | H | 89.3 | Confident | 85.7 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.8 | 175.7 | -175.8 | 75.2 | 0 | 0 | 0 | 110.9 | E279 L340 R341 F354 | H277-E279 PolarHBondContact O-N 2.86Å; H277-L340 WeakPolarHBondContact O-CA 3.34Å; H277-R341 HydrophobicContact CB-CB 4.34Å; H277-R341 PolarHBondContact N-O 2.86Å; H277-R341 PolarHBondContact O-N 3.45Å; H277-F354 AromaticContact CD2-CD1 3.65Å; H277-F354 AromaticContact NE2-CD1 3.6Å |
| 278 | F | 87.8 | Confident | 85.2 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 95.1 | -174.1 | -71.2 | -112 | 0 | 0 | 0 | 109.4 | V281 L290 Y304 V311 P312 L316 L340 | F278-V281 HydrophobicContact CB-CG2 4.33Å; F278-V281 HydrophobicContact CD1-CG2 3.61Å; F278-V281 HydrophobicContact CE1-CG2 4.44Å; F278-V281 HydrophobicContact CG-CG2 4.45Å; F278-L290 HydrophobicContact CE1-CD2 4.05Å; F278-Y304 HydrophobicContact CE1-CD1 4.29Å; F278-Y304 AromaticContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CZ-CD1 4.14Å; F278-Y304 HydrophobicContact CZ-CE1 4.27Å; F278-V311 HydrophobicContact CB-CG1 3.69Å; F278-V311 HydrophobicContact CD1-CG1 3.55Å; F278-V311 HydrophobicContact CE1-CG1 4.36Å; F278-V311 HydrophobicContact CG-CG1 3.74Å; F278-P312 HydrophobicContact CD2-CG 4.21Å; F278-P312 HydrophobicContact CE2-CG 3.86Å; F278-P312 HydrophobicContact CZ-CG 4.22Å; F278-L316 HydrophobicContact CE2-CB 4.43Å; F278-L316 HydrophobicContact CE2-CD1 3.66Å; F278-L316 HydrophobicContact CE2-CG 3.75Å; F278-L316 HydrophobicContact CZ-CD1 3.54Å; F278-L316 HydrophobicContact CZ-CG 4.12Å; F278-L340 HydrophobicContact CB-CD2 4.22Å; F278-L340 HydrophobicContact CD1-CD2 3.48Å; F278-L340 VanDerWaalsContact CD1-CD2 3.48Å; F278-L340 HydrophobicContact CD2-CD2 4.31Å; F278-L340 HydrophobicContact CE1-CD2 3.81Å; F278-L340 HydrophobicContact CG-CD2 3.74Å; F278-L340 HydrophobicContact CZ-CD2 4.34Å |
| 279 | E | 80.6 | Confident | 85 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -40.8 | -176.7 | -67 | 175 | 131.4 | 0 | 0 | 112.2 | R246 H277 S339 R341 F354 | R246-E279 IonicContact CZ-OE1 3.95Å; R246-E279 IonicContact CZ-OE2 3.65Å; R246-E279 IonicContact NE-OE2 3.68Å; R246-E279 PolarHBondContact NE-OE2 3.23Å; R246-E279 VanDerWaalsContact NE-OE2 3.13Å; R246-E279 IonicContact NH1-OE1 3.67Å; R246-E279 IonicContact NH1-OE2 2.7Å; R246-E279 PolarHBondContact NH1-OE2 3.22Å; R246-E279 IonicContact NH2-OE1 3.83Å; R246-E279 PolarHBondContact NH2-OE1 2.97Å; R246-E279 IonicContact NH2-OE2 3.97Å; R246-E279 PolarHBondContact NH2-OE2 2.9Å; H277-E279 PolarHBondContact O-N 2.86Å; E279-S339 PolarHBondContact N-O 2.88Å; E279-S339 VanDerWaalsContact N-O 3.09Å; E279-R341 HydrophobicContact CG-CB 4.19Å; E279-F354 HydrophobicContact CG-CE1 4.05Å; E279-F354 VanDerWaalsContact OE1-CE1 3.26Å; E279-F354 WeakPolarHBondContact OE1-CE1 3.32Å; E279-F354 VanDerWaalsContact OE1-CZ 3.26Å; E279-F354 WeakPolarHBondContact OE1-CZ 3.42Å |
| 280 | R | 78.3 | Confident | 84.9 | Confident | 82 Ų | 82 | 58 Ų | 58 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 122.2 | 175.2 | -61.6 | -177.9 | 71.1 | 150.3 | 8.6 | 109.4 | L337 L338 S339 | R280-L337 CarbonylContact C-O 3.3Å; R280-L337 VanDerWaalsContact CZ-CD2 3.5Å; R280-L338 CarbonylContact O-C 3.58Å; R280-L338 WeakPolarHBondContact O-CA 3.41Å; R280-S339 PolarHBondContact N-O 3.41Å; R280-S339 PolarHBondContact O-N 2.84Å |
| 281 | V | 81.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.2 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | F278 L283 V311 L337 L338 L340 | F278-V281 HydrophobicContact CB-CG2 4.33Å; F278-V281 HydrophobicContact CD1-CG2 3.61Å; F278-V281 HydrophobicContact CE1-CG2 4.44Å; F278-V281 HydrophobicContact CG-CG2 4.45Å; V281-L283 HydrophobicContact CG1-CD1 3.77Å; V281-L283 HydrophobicContact CG1-CD2 4.48Å; V281-L283 HydrophobicContact CG1-CG 3.66Å; V281-V311 HydrophobicContact CB-CG2 4.14Å; V281-V311 HydrophobicContact CG1-CG2 3.97Å; V281-L337 CarbonylContact C-O 3.45Å; V281-L337 WeakPolarHBondContact CA-O 3.43Å; V281-L338 HydrophobicContact CG2-CD1 3.88Å; V281-L340 HydrophobicContact CG2-CD2 4.28Å |
| 282 | S | 78.3 | Confident | 85.6 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 97.7 | 171.9 | 177 | 0 | 0 | 0 | 0 | 106.2 | P335 L336 L337 | S282-P335 PolarHBondContact OG-O 2.88Å; S282-L336 WeakPolarHBondContact O-CA 3.41Å; S282-L337 PolarHBondContact N-O 2.87Å; S282-L337 PolarHBondContact O-N 3.1Å |
| 283 | L | 78.4 | Confident | 85.8 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 19% | 0.194 | 22% | 0.219 | C | C | . | . | trans | -114.3 | 141.8 | -180 | -57 | 176.6 | 0 | 0 | 0 | 107.9 | V281 E285 D288 L290 L327 L336 | V281-L283 HydrophobicContact CG1-CD1 3.77Å; V281-L283 HydrophobicContact CG1-CD2 4.48Å; V281-L283 HydrophobicContact CG1-CG 3.66Å; L283-E285 PolarHBondContact O-N 2.99Å; L283-D288 HydrophobicContact CB-CB 4.02Å; L283-D288 HydrophobicContact CD2-CB 4.32Å; L283-L290 HydrophobicContact CD1-CB 3.65Å; L283-L290 HydrophobicContact CD1-CD2 4.43Å; L283-L327 HydrophobicContact CD2-CD1 3.75Å; L283-L336 HydrophobicContact CD2-CD1 3.57Å | ||
| 284 | D | 77.2 | Confident | 85.9 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | trans | -73.6 | 113.8 | 165.8 | -173.7 | -36.8 | 0 | 0 | 0 | 108.9 | D286 N287 D288 | D284-D286 PolarHBondContact O-N 2.84Å; D284-D286 VanDerWaalsContact O-N 3.1Å; D284-D286 PolarHBondContact OD1-N 3.29Å; D284-N287 HydrophobicContact CB-CB 4.14Å; D284-N287 VanDerWaalsContact CG-ND2 3.28Å; D284-N287 PolarHBondContact O-N 2.93Å; D284-N287 VanDerWaalsContact O-N 3.16Å; D284-N287 PolarHBondContact OD1-N 3.01Å; D284-N287 PolarHBondContact OD1-ND2 3.29Å; D284-N287 PolarHBondContact OD2-ND2 3.28Å; D284-D288 HydrophobicContact CB-CB 4.36Å; D284-D288 VanDerWaalsContact CB-OD2 3.29Å; D284-D288 WeakPolarHBondContact CB-OD2 3.38Å; D284-D288 PolarHBondContact N-OD2 2.85Å; D284-D288 WeakPolarHBondContact O-CA 3.5Å; D284-D288 WeakPolarHBondContact O-CB 3.19Å; D284-D288 PolarHBondContact O-N 2.87Å | ||
| 285 | E | 76.3 | Confident | 85.8 | Confident | 183 Ų | 183 | 42.8 Ų | 42.8 | 86% | 0.855 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.5 | -176.1 | -64.9 | -178.7 | 171.5 | 0 | 0 | 113.5 | L283 | L283-E285 PolarHBondContact O-N 2.99Š|
| 286 | D | 78.1 | Confident | 85.7 | Confident | 150 Ų | 150 | 44.2 Ų | 44.2 | 80% | 0.802 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -24.1 | -178.1 | -71.2 | -43.5 | 0 | 0 | 0 | 112.9 | D284 | D284-D286 PolarHBondContact O-N 2.84Å; D284-D286 VanDerWaalsContact O-N 3.1Å; D284-D286 PolarHBondContact OD1-N 3.29Å |
| 287 | N | 78.1 | Confident | 85.6 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -16.1 | -167.1 | -60.1 | -56.7 | 0 | 0 | 0 | 114.8 | D284 E330 | D284-N287 HydrophobicContact CB-CB 4.14Å; D284-N287 VanDerWaalsContact CG-ND2 3.28Å; D284-N287 PolarHBondContact O-N 2.93Å; D284-N287 VanDerWaalsContact O-N 3.16Å; D284-N287 PolarHBondContact OD1-N 3.01Å; D284-N287 PolarHBondContact OD1-ND2 3.29Å; D284-N287 PolarHBondContact OD2-ND2 3.28Å; N287-E330 PolarHBondContact O-N 3.41Å; N287-E330 VanDerWaalsContact O-N 3.15Å |
| 288 | D | 85.4 | Confident | 85.6 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.2 | -174.4 | -58.1 | -32.2 | 0 | 0 | 0 | 111.3 | L283 D284 L328 S329 L336 | L283-D288 HydrophobicContact CB-CB 4.02Å; L283-D288 HydrophobicContact CD2-CB 4.32Å; D284-D288 HydrophobicContact CB-CB 4.36Å; D284-D288 VanDerWaalsContact CB-OD2 3.29Å; D284-D288 WeakPolarHBondContact CB-OD2 3.38Å; D284-D288 PolarHBondContact N-OD2 2.85Å; D284-D288 WeakPolarHBondContact O-CA 3.5Å; D284-D288 WeakPolarHBondContact O-CB 3.19Å; D284-D288 PolarHBondContact O-N 2.87Å; D288-L328 CarbonylContact C-O 3.59Å; D288-L328 VanDerWaalsContact CA-O 3.3Å; D288-L328 WeakPolarHBondContact CA-O 3.29Å; D288-S329 WeakPolarHBondContact OD1-CA 3.31Å; D288-S329 WeakPolarHBondContact OD1-CB 3.38Å; D288-S329 PolarHBondContact OD1-OG 3.01Å; D288-L336 HydrophobicContact CB-CD1 3.94Å; D288-L336 VanDerWaalsContact CG-CD1 3.43Å; D288-L336 WeakPolarHBondContact OD2-CD1 3.21Å |
| 289 | R | 88.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 30% | 0.302 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.6 | 178.2 | -175.4 | 179.5 | -178.4 | 169.4 | -3.5 | 112.3 | M291 D305 S306 D307 L327 L328 | R289-M291 HydrophobicContact CG-CG 4.23Å; R289-D305 IonicContact CZ-OD1 3.37Å; R289-D305 IonicContact CZ-OD2 2.74Å; R289-D305 IonicContact NE-OD1 3.08Å; R289-D305 PolarHBondContact NE-OD1 3.28Å; R289-D305 IonicContact NE-OD2 3.52Å; R289-D305 IonicContact NH2-OD1 2.83Å; R289-D305 PolarHBondContact NH2-OD1 2.92Å; R289-D305 IonicContact NH2-OD2 3.83Å; R289-D305 PolarHBondContact NH2-OD2 2.03Å; R289-S306 WeakPolarHBondContact CA-OG 3.17Å; R289-D307 WeakPolarHBondContact CD-OD2 2.94Å; R289-D307 WeakPolarHBondContact CG-OD1 3.44Å; R289-D307 IonicContact CZ-OD2 2.76Å; R289-D307 IonicContact NE-OD2 3.56Å; R289-D307 PolarHBondContact NE-OD2 3.45Å; R289-D307 VanDerWaalsContact NE-OD2 3.17Å; R289-D307 IonicContact NH1-OD2 2.75Å; R289-D307 PolarHBondContact NH1-OD2 3.35Å; R289-D307 VanDerWaalsContact NH1-OD2 3.1Å; R289-D307 IonicContact NH2-OD2 3.34Å; R289-L327 WeakPolarHBondContact O-CA 3.44Å; R289-L328 PolarHBondContact N-O 3.33Å; R289-L328 PolarHBondContact O-N 3.38Å |
| 290 | L | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.4 | 173.8 | 177.4 | 64 | 0 | 0 | 0 | 110.1 | F278 L283 Y304 S306 V325 E326 L327 L338 | F278-L290 HydrophobicContact CE1-CD2 4.05Å; L283-L290 HydrophobicContact CD1-CB 3.65Å; L283-L290 HydrophobicContact CD1-CD2 4.43Å; L290-Y304 HydrophobicContact CD2-CE1 4.07Å; L290-Y304 HydrophobicContact CG-CE1 4.26Å; L290-S306 PolarHBondContact N-OG 2.91Å; L290-S306 PolarHBondContact O-N 3.46Å; L290-S306 PolarHBondContact O-OG 2.72Å; L290-V325 HydrophobicContact CD1-CG1 3.81Å; L290-E326 WeakPolarHBondContact CA-O 3.43Å; L290-L327 HydrophobicContact CB-CD1 4.27Å; L290-L327 HydrophobicContact CD1-CB 4.4Å; L290-L327 HydrophobicContact CD1-CD1 4.38Å; L290-L338 HydrophobicContact CD1-CD1 4.49Å; L290-L338 HydrophobicContact CD1-CD2 3.83Å; L290-L338 HydrophobicContact CD2-CD1 3.66Å; L290-L338 HydrophobicContact CD2-CD2 4.5Å |
| 291 | M | 92.9 | Very high | 87.1 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.064 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.2 | 175.9 | -68.7 | 176.7 | -79.5 | 0 | 0 | 110.6 | R289 R293 Y304 V325 E326 L328 | R289-M291 HydrophobicContact CG-CG 4.23Å; M291-R293 PolarHBondContact SD-NH2 2.78Å; M291-Y304 WeakPolarHBondContact CA-O 3.47Å; M291-V325 WeakPolarHBondContact O-CA 3.29Å; M291-E326 HydrophobicContact CE-CG 4.24Å; M291-E326 PolarHBondContact N-O 2.73Å; M291-E326 PolarHBondContact O-N 2.87Å; M291-L328 HydrophobicContact CE-CD1 3.78Å |
| 292 | V | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | L276 I303 Y304 L316 L323 V325 | L276-V292 HydrophobicContact CD1-CG1 3.66Å; L276-V292 HydrophobicContact CD1-CG2 4.45Å; V292-I303 HydrophobicContact CB-CG1 4.18Å; V292-I303 HydrophobicContact CG1-CD1 3.88Å; V292-I303 HydrophobicContact CG1-CG1 3.87Å; V292-I303 WeakPolarHBondContact O-CG1 3.4Å; V292-I303 PolarHBondContact O-N 2.86Å; V292-Y304 HydrophobicContact CG2-CD1 4.09Å; V292-Y304 PolarHBondContact N-O 3Å; V292-Y304 PolarHBondContact O-N 2.88Å; V292-L316 HydrophobicContact CB-CD1 3.98Å; V292-L316 HydrophobicContact CG1-CD1 4.09Å; V292-L316 HydrophobicContact CG2-CD1 4.02Å; V292-L323 HydrophobicContact CG1-CD2 4.17Å; V292-V325 HydrophobicContact CG1-CG2 4.3Å; V292-V325 HydrophobicContact CG2-CG1 4.35Å; V292-V325 HydrophobicContact CG2-CG2 4.39Å |
| 293 | R | 95 | Very high | 88.4 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.6 | -178.8 | -64.6 | 176.7 | 175 | 90 | 5.6 | 111.6 | M291 G295 P298 S300 P301 V302 L323 Y324 E326 | M291-R293 PolarHBondContact SD-NH2 2.78Å; R293-G295 PolarHBondContact O-N 2.9Å; R293-P298 WeakPolarHBondContact CD-O 3.33Å; R293-P298 PolarHBondContact NE-O 2.94Å; R293-S300 WeakPolarHBondContact CD-O 3.13Å; R293-P301 CarbonylContact C-O 3.52Å; R293-P301 WeakPolarHBondContact CA-O 3.48Å; R293-P301 WeakPolarHBondContact CB-O 3.42Å; R293-V302 HydrophobicContact CG-CB 4.46Å; R293-V302 HydrophobicContact CG-CG2 3.93Å; R293-L323 WeakPolarHBondContact O-CA 3.3Å; R293-L323 WeakPolarHBondContact O-CD2 3.4Å; R293-Y324 PolarHBondContact N-O 3.44Å; R293-Y324 PolarHBondContact O-N 3.05Å; R293-E326 IonicContact NH1-OE2 3.25Å; R293-E326 PolarHBondContact NH1-OE2 2.91Å |
| 294 | S | 94.2 | Very high | 89.1 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 93 | 175 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | S300 P301 D319 A320 | S294-S300 VanDerWaalsContact O-CB 3.28Å; S294-S300 WeakPolarHBondContact O-CB 3.21Å; S294-P301 PolarHBondContact N-O 3.1Å; S294-D319 WeakPolarHBondContact OG-CB 3.04Å; S294-D319 PolarHBondContact OG-N 2.84Å; S294-A320 PolarHBondContact OG-N 2.75Å |
| 295 | G | 91.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 139.2 | 156.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R293 S297 S322 L323 Y324 | R293-G295 PolarHBondContact O-N 2.9Å; G295-S297 PolarHBondContact O-N 2.65Å; G295-S322 VanDerWaalsContact C-OG 3.32Å; G295-S322 VanDerWaalsContact CA-O 3.28Å; G295-S322 WeakPolarHBondContact CA-O 3.5Å; G295-S322 WeakPolarHBondContact CA-OG 3.28Å; G295-S322 PolarHBondContact N-O 3.47Å; G295-L323 CarbonylContact O-C 3.57Å; G295-Y324 WeakPolarHBondContact O-CB 3.36Å; G295-Y324 PolarHBondContact O-N 2.83Å; G295-Y324 VanDerWaalsContact O-N 3.14Å |
| 296 | G | 89.9 | Confident | 90.5 | Very high | 32 Ų | 32 | 46 Ų | 46 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -79.4 | 8.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S322 | G296-S322 PolarHBondContact N-OG 2.86Š|
| 297 | S | 89.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -123.3 | 153.9 | -175.2 | 89.1 | 0 | 0 | 0 | 0 | 112.7 | G295 L299 S300 | G295-S297 PolarHBondContact O-N 2.65Å; S297-L299 PolarHBondContact O-N 2.82Å; S297-L299 PolarHBondContact OG-N 2.9Å; S297-S300 PolarHBondContact N-OG 2.85Å; S297-S300 WeakPolarHBondContact O-CB 3.47Å; S297-S300 PolarHBondContact O-N 3.28Å; S297-S300 VanDerWaalsContact O-N 3.13Å; S297-S300 PolarHBondContact O-OG 3.49Å; S297-S300 PolarHBondContact OG-N 2.85Å; S297-S300 PolarHBondContact OG-OG 3.17Å |
| 298 | P | 89.3 | Confident | 91.3 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.7 | 175.2 | 28.2 | -35.8 | 0 | 0 | 0 | 113.5 | R293 Y324 | R293-P298 WeakPolarHBondContact CD-O 3.33Å; R293-P298 PolarHBondContact NE-O 2.94Å; P298-Y324 HydrophobicContact CB-CE1 4.11Å; P298-Y324 HydrophobicContact CB-CE2 4.4Å |
| 299 | L | 91 | Very high | 91.3 | Very high | 166 Ų | 166 | 49.9 Ų | 49.9 | 87% | 0.869 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.9 | 177.2 | -63.4 | 172.8 | 0 | 0 | 0 | 112.9 | S297 | S297-L299 PolarHBondContact O-N 2.82Å; S297-L299 PolarHBondContact OG-N 2.9Å |
| 300 | S | 93.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -70.7 | 157.6 | -178.3 | -34.8 | 0 | 0 | 0 | 0 | 111 | R293 S294 S297 V302 | R293-S300 WeakPolarHBondContact CD-O 3.13Å; S294-S300 VanDerWaalsContact O-CB 3.28Å; S294-S300 WeakPolarHBondContact O-CB 3.21Å; S297-S300 PolarHBondContact N-OG 2.85Å; S297-S300 WeakPolarHBondContact O-CB 3.47Å; S297-S300 PolarHBondContact O-N 3.28Å; S297-S300 VanDerWaalsContact O-N 3.13Å; S297-S300 PolarHBondContact O-OG 3.49Å; S297-S300 PolarHBondContact OG-N 2.85Å; S297-S300 PolarHBondContact OG-OG 3.17Å; S300-V302 PolarHBondContact O-N 3.47Å |
| 301 | P | 93.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -55 | 134.9 | 179.3 | -25.5 | 34.6 | 0 | 0 | 0 | 112.7 | R293 S294 | R293-P301 CarbonylContact C-O 3.52Å; R293-P301 WeakPolarHBondContact CA-O 3.48Å; R293-P301 WeakPolarHBondContact CB-O 3.42Å; S294-P301 PolarHBondContact N-O 3.1Å |
| 302 | V | 92.8 | Very high | 90.3 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.436 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.7 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | R293 S300 Y304 D305 | R293-V302 HydrophobicContact CG-CB 4.46Å; R293-V302 HydrophobicContact CG-CG2 3.93Å; S300-V302 PolarHBondContact O-N 3.47Å; V302-Y304 WeakPolarHBondContact CG1-O 3.26Å; V302-D305 HydrophobicContact CG1-CB 4.19Å |
| 303 | I | 93.3 | Very high | 89.2 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -14 | 175.7 | 59.6 | 171.9 | 0 | 0 | 0 | 112.4 | V292 L316 L323 | V292-I303 HydrophobicContact CB-CG1 4.18Å; V292-I303 HydrophobicContact CG1-CD1 3.88Å; V292-I303 HydrophobicContact CG1-CG1 3.87Å; V292-I303 WeakPolarHBondContact O-CG1 3.4Å; V292-I303 PolarHBondContact O-N 2.86Å; I303-L316 HydrophobicContact CD1-CB 4.29Å; I303-L323 HydrophobicContact CD1-CD2 3.74Å |
| 304 | Y | 94 | Very high | 88.2 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 139.6 | 173.2 | 175.5 | -104.6 | 0 | 0 | 0 | 111.4 | F278 L290 M291 V292 V302 D309 D310 P312 L316 | F278-Y304 HydrophobicContact CE1-CD1 4.29Å; F278-Y304 AromaticContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CZ-CD1 4.14Å; F278-Y304 HydrophobicContact CZ-CE1 4.27Å; L290-Y304 HydrophobicContact CD2-CE1 4.07Å; L290-Y304 HydrophobicContact CG-CE1 4.26Å; M291-Y304 WeakPolarHBondContact CA-O 3.47Å; V292-Y304 HydrophobicContact CG2-CD1 4.09Å; V292-Y304 PolarHBondContact N-O 3Å; V292-Y304 PolarHBondContact O-N 2.88Å; V302-Y304 WeakPolarHBondContact CG1-O 3.26Å; Y304-D309 HydrophobicContact CD2-CB 3.94Å; Y304-D309 HydrophobicContact CE2-CB 3.8Å; Y304-D309 WeakPolarHBondContact CE2-O 3.41Å; Y304-D309 PolarHBondContact OH-O 2.85Å; Y304-D310 WeakPolarHBondContact CE2-O 3.23Å; Y304-P312 HydrophobicContact CD2-CG 4.47Å; Y304-L316 HydrophobicContact CD1-CD1 4.31Å; Y304-L316 HydrophobicContact CG-CD1 3.85Å |
| 305 | D | 92.6 | Very high | 87.8 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 10% | 0.096 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 114.9 | 177.6 | -167.9 | -1.3 | 0 | 0 | 0 | 109.9 | R289 V302 D307 M308 D309 | R289-D305 IonicContact CZ-OD1 3.37Å; R289-D305 IonicContact CZ-OD2 2.74Å; R289-D305 IonicContact NE-OD1 3.08Å; R289-D305 PolarHBondContact NE-OD1 3.28Å; R289-D305 IonicContact NE-OD2 3.52Å; R289-D305 IonicContact NH2-OD1 2.83Å; R289-D305 PolarHBondContact NH2-OD1 2.92Å; R289-D305 IonicContact NH2-OD2 3.83Å; R289-D305 PolarHBondContact NH2-OD2 2.03Å; V302-D305 HydrophobicContact CG1-CB 4.19Å; D305-D307 PolarHBondContact O-N 3.24Å; D305-D307 VanDerWaalsContact O-N 3.12Å; D305-M308 HydrophobicContact CB-CB 4.37Å; D305-M308 HydrophobicContact CB-CG 4.31Å; D305-M308 PolarHBondContact O-N 2.97Å; D305-D309 PolarHBondContact O-N 2.8Å |
| 306 | S | 89.7 | Confident | 87.7 | Confident | 32 Ų | 32 | 70 Ų | 70 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.7 | -174.7 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | R289 L290 M308 | R289-S306 WeakPolarHBondContact CA-OG 3.17Å; L290-S306 PolarHBondContact N-OG 2.91Å; L290-S306 PolarHBondContact O-N 3.46Å; L290-S306 PolarHBondContact O-OG 2.72Å; S306-M308 PolarHBondContact O-N 2.81Å |
| 307 | D | 87.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 72 Ų | 72 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -19.4 | 176 | -66.4 | -0.4 | 0 | 0 | 0 | 112.3 | R289 D305 | R289-D307 WeakPolarHBondContact CD-OD2 2.94Å; R289-D307 WeakPolarHBondContact CG-OD1 3.44Å; R289-D307 IonicContact CZ-OD2 2.76Å; R289-D307 IonicContact NE-OD2 3.56Å; R289-D307 PolarHBondContact NE-OD2 3.45Å; R289-D307 VanDerWaalsContact NE-OD2 3.17Å; R289-D307 IonicContact NH1-OD2 2.75Å; R289-D307 PolarHBondContact NH1-OD2 3.35Å; R289-D307 VanDerWaalsContact NH1-OD2 3.1Å; R289-D307 IonicContact NH2-OD2 3.34Å; D305-D307 PolarHBondContact O-N 3.24Å; D305-D307 VanDerWaalsContact O-N 3.12Å |
| 308 | M | 85.9 | Confident | 87.8 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 68% | 0.68 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -31.9 | -170.1 | -57.4 | -68.1 | 140.4 | 0 | 0 | 112.2 | D305 S306 | D305-M308 HydrophobicContact CB-CB 4.37Å; D305-M308 HydrophobicContact CB-CG 4.31Å; D305-M308 PolarHBondContact O-N 2.97Å; S306-M308 PolarHBondContact O-N 2.81Å |
| 309 | D | 85 | Confident | 87.7 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -128.6 | 135.3 | -168.9 | -57.4 | -55.7 | 0 | 0 | 0 | 111.7 | Y304 D305 | Y304-D309 HydrophobicContact CD2-CB 3.94Å; Y304-D309 HydrophobicContact CE2-CB 3.8Å; Y304-D309 WeakPolarHBondContact CE2-O 3.41Å; Y304-D309 PolarHBondContact OH-O 2.85Å; D305-D309 PolarHBondContact O-N 2.8Å |
| 310 | D | 84.2 | Confident | 87.3 | Confident | 155 Ų | 155 | 65.5 Ų | 65.5 | 83% | 0.829 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 155.3 | 168.7 | -66.1 | -47.4 | 0 | 0 | 0 | 111.2 | Y304 P312 | Y304-D310 WeakPolarHBondContact CE2-O 3.23Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å |
| 311 | V | 84 | Confident | 87.2 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 122.2 | 179.5 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | F278 V281 E313 | F278-V311 HydrophobicContact CB-CG1 3.69Å; F278-V311 HydrophobicContact CD1-CG1 3.55Å; F278-V311 HydrophobicContact CE1-CG1 4.36Å; F278-V311 HydrophobicContact CG-CG1 3.74Å; V281-V311 HydrophobicContact CB-CG2 4.14Å; V281-V311 HydrophobicContact CG1-CG2 3.97Å; V311-E313 PolarHBondContact O-N 2.04Å |
| 312 | P | 83.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 125.1 | -173.2 | 27.2 | -33.5 | 0 | 0 | 0 | 112.2 | F278 Y304 D310 R314 G315 L316 | F278-P312 HydrophobicContact CD2-CG 4.21Å; F278-P312 HydrophobicContact CE2-CG 3.86Å; F278-P312 HydrophobicContact CZ-CG 4.22Å; Y304-P312 HydrophobicContact CD2-CG 4.47Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å; P312-R314 VanDerWaalsContact C-N 3.33Å; P312-R314 PolarHBondContact O-N 3.44Å; P312-G315 PolarHBondContact O-N 2.9Å; P312-L316 HydrophobicContact CB-CD2 4.47Å; P312-L316 HydrophobicContact CG-CD2 3.82Å; P312-L316 HydrophobicContact CG-CG 3.85Å |
| 313 | E | 71.1 | Confident | 87.3 | Confident | 163 Ų | 163 | 62 Ų | 62 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -36.5 | -178.8 | -64.3 | -178.2 | 172.2 | 0 | 0 | 113.4 | V311 G315 T405 | V311-E313 PolarHBondContact O-N 2.04Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 3.45Å; E313-T405 HydrophobicContact CB-CG2 4.19Å |
| 314 | R | 74.2 | Confident | 87.4 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.2 | 177.9 | -66.2 | -177.2 | -177.7 | -156.2 | -9.4 | 113.6 | H275 P312 N403 T405 | H275-R314 PolarHBondContact NE2-O 2.84Å; P312-R314 VanDerWaalsContact C-N 3.33Å; P312-R314 PolarHBondContact O-N 3.44Å; R314-N403 PolarHBondContact NH2-O 2.85Å; R314-T405 HydrophobicContact CB-CG2 4.47Å; R314-T405 HydrophobicContact CG-CG2 3.23Å |
| 315 | G | 85.5 | Confident | 87.4 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | trans | 68.9 | -164.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113 | L276 P312 E313 | L276-G315 CarbonylContact O-C 3.57Å; L276-G315 WeakPolarHBondContact O-CA 3.34Å; P312-G315 PolarHBondContact O-N 2.9Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 3.45Å | ||
| 316 | L | 90.7 | Very high | 87.4 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.4 | -177.7 | -64.2 | 168.9 | 0 | 0 | 0 | 110.7 | H275 L276 F278 V292 I303 Y304 P312 | H275-L316 CarbonylContact C-O 3.6Å; H275-L316 WeakPolarHBondContact CA-O 3.49Å; H275-L316 PolarHBondContact CD2-O 2.89Å; L276-L316 HydrophobicContact CB-CB 4.31Å; L276-L316 PolarHBondContact N-O 2.97Å; L276-L316 PolarHBondContact O-N 3.02Å; F278-L316 HydrophobicContact CE2-CB 4.43Å; F278-L316 HydrophobicContact CE2-CD1 3.66Å; F278-L316 HydrophobicContact CE2-CG 3.75Å; F278-L316 HydrophobicContact CZ-CD1 3.54Å; F278-L316 HydrophobicContact CZ-CG 4.12Å; V292-L316 HydrophobicContact CB-CD1 3.98Å; V292-L316 HydrophobicContact CG1-CD1 4.09Å; V292-L316 HydrophobicContact CG2-CD1 4.02Å; I303-L316 HydrophobicContact CD1-CB 4.29Å; Y304-L316 HydrophobicContact CD1-CD1 4.31Å; Y304-L316 HydrophobicContact CG-CD1 3.85Å; P312-L316 HydrophobicContact CB-CD2 4.47Å; P312-L316 HydrophobicContact CG-CD2 3.82Å; P312-L316 HydrophobicContact CG-CG 3.85Å |
| 317 | I | 90.4 | Very high | 87.5 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.7 | 174.5 | -60.3 | 171.6 | 0 | 0 | 0 | 108.3 | L274 F345 F351 | L274-I317 CarbonylContact O-C 3.51Å; L274-I317 WeakPolarHBondContact O-CA 3.14Å; I317-F345 HydrophobicContact CG2-CE1 4.31Å; I317-F345 HydrophobicContact CG2-CZ 3.87Å; I317-F351 HydrophobicContact CD1-CD1 4.31Å; I317-F351 HydrophobicContact CD1-CE1 4.1Å |
| 318 | S | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -81.6 | 137.6 | 174.2 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | R273 L274 A320 L323 | R273-S318 WeakPolarHBondContact CD-O 3.24Å; R273-S318 WeakPolarHBondContact CG-O 3.46Å; L274-S318 WeakPolarHBondContact CB-OG 3.09Å; L274-S318 PolarHBondContact N-OG 2.79Å; L274-S318 PolarHBondContact O-N 2.87Å; L274-S318 PolarHBondContact O-OG 2.83Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 VanDerWaalsContact CB-O 3.26Å; S318-A320 WeakPolarHBondContact CB-O 3.48Å; S318-A320 PolarHBondContact OG-O 3.31Å; S318-L323 VanDerWaalsContact CB-CD2 3.45Å | ||
| 319 | D | 86.8 | Confident | 87.3 | Confident | 121 Ų | 121 | 51.2 Ų | 51.2 | 65% | 0.647 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -78.7 | -19.1 | 167 | -55.8 | -45.7 | 0 | 0 | 0 | 112.2 | S294 | S294-D319 WeakPolarHBondContact OG-CB 3.04Å; S294-D319 PolarHBondContact OG-N 2.84Å |
| 320 | A | 82.7 | Confident | 86.8 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -109.2 | 167.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S294 S318 S322 | S294-A320 PolarHBondContact OG-N 2.75Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 VanDerWaalsContact CB-O 3.26Å; S318-A320 WeakPolarHBondContact CB-O 3.48Å; S318-A320 PolarHBondContact OG-O 3.31Å; A320-S322 PolarHBondContact O-N 2.95Å |
| 321 | Q | 90.9 | Very high | 85.9 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70 | 4.3 | 171.7 | 70.6 | -175.4 | 3.7 | 0 | 0 | 114.2 | A268 R272 | A268-Q321 PolarHBondContact N-O 3.22Å; R272-Q321 WeakPolarHBondContact O-CA 3.29Å |
| 322 | S | 93.8 | Very high | 84.6 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.1 | -172.5 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | I266 G295 G296 A320 | I266-S322 CarbonylContact O-C 3.6Å; I266-S322 WeakPolarHBondContact O-CA 3.49Å; I266-S322 WeakPolarHBondContact O-CB 3.14Å; G295-S322 VanDerWaalsContact C-OG 3.32Å; G295-S322 VanDerWaalsContact CA-O 3.28Å; G295-S322 WeakPolarHBondContact CA-O 3.5Å; G295-S322 WeakPolarHBondContact CA-OG 3.28Å; G295-S322 PolarHBondContact N-O 3.47Å; G296-S322 PolarHBondContact N-OG 2.86Å; A320-S322 PolarHBondContact O-N 2.95Å |
| 323 | L | 95.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140 | 175.3 | -74.4 | 171 | 0 | 0 | 0 | 110.4 | V265 I266 L274 L276 V292 R293 G295 I303 S318 | V265-L323 WeakPolarHBondContact CA-O 3.05Å; I266-L323 HydrophobicContact CB-CB 4.48Å; I266-L323 PolarHBondContact N-O 2.88Å; I266-L323 PolarHBondContact O-N 3.36Å; L274-L323 HydrophobicContact CB-CD1 3.45Å; L274-L323 VanDerWaalsContact CB-CD1 3.45Å; L274-L323 HydrophobicContact CB-CG 4.07Å; L274-L323 HydrophobicContact CD1-CB 4.16Å; L274-L323 HydrophobicContact CD1-CD1 4.06Å; L274-L323 HydrophobicContact CD1-CG 3.96Å; L274-L323 HydrophobicContact CG-CD1 4.4Å; L276-L323 HydrophobicContact CD1-CD1 3.52Å; L276-L323 HydrophobicContact CG-CD1 3.6Å; V292-L323 HydrophobicContact CG1-CD2 4.17Å; R293-L323 WeakPolarHBondContact O-CA 3.3Å; R293-L323 WeakPolarHBondContact O-CD2 3.4Å; G295-L323 CarbonylContact O-C 3.57Å; I303-L323 HydrophobicContact CD1-CD2 3.74Å; S318-L323 VanDerWaalsContact CB-CD2 3.45Å |
| 324 | Y | 95 | Very high | 82.3 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 116.6 | 172.4 | 178.8 | -82.4 | 0 | 0 | 0 | 108.7 | R263 W264 V265 R293 G295 P298 E326 | R263-Y324 WeakPolarHBondContact CD-OH 3.38Å; R263-Y324 WeakPolarHBondContact CG-OH 3.44Å; R263-Y324 PolarHBondContact NE-OH 2.84Å; W264-Y324 WeakPolarHBondContact O-CA 3.01Å; V265-Y324 HydrophobicContact CG2-CD2 3.75Å; V265-Y324 HydrophobicContact CG2-CE2 4.22Å; R293-Y324 PolarHBondContact N-O 3.44Å; R293-Y324 PolarHBondContact O-N 3.05Å; G295-Y324 WeakPolarHBondContact O-CB 3.36Å; G295-Y324 PolarHBondContact O-N 2.83Å; G295-Y324 VanDerWaalsContact O-N 3.14Å; P298-Y324 HydrophobicContact CB-CE1 4.11Å; P298-Y324 HydrophobicContact CB-CE2 4.4Å; Y324-E326 HydrophobicContact CE1-CB 3.81Å |
| 325 | V | 94.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.5 | -178.2 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | I247 R263 W264 L276 L290 M291 V292 L340 | I247-V325 HydrophobicContact CD1-CB 4.19Å; I247-V325 HydrophobicContact CD1-CG1 4.03Å; I247-V325 HydrophobicContact CD1-CG2 4.15Å; R263-V325 CarbonylContact C-O 3.55Å; R263-V325 WeakPolarHBondContact CA-O 3.43Å; W264-V325 HydrophobicContact CB-CB 4.38Å; W264-V325 HydrophobicContact CE3-CB 4.29Å; W264-V325 HydrophobicContact CE3-CG1 4.08Å; W264-V325 PolarHBondContact N-O 2.94Å; W264-V325 PolarHBondContact O-N 3.24Å; L276-V325 HydrophobicContact CD1-CG2 4.05Å; L290-V325 HydrophobicContact CD1-CG1 3.81Å; M291-V325 WeakPolarHBondContact O-CA 3.29Å; V292-V325 HydrophobicContact CG1-CG2 4.3Å; V292-V325 HydrophobicContact CG2-CG1 4.35Å; V292-V325 HydrophobicContact CG2-CG2 4.39Å; V325-L340 HydrophobicContact CG1-CD1 4.11Å |
| 326 | E | 93 | Very high | 80.2 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.3 | -179.7 | -179.5 | 167.4 | -138.7 | 0 | 0 | 110.6 | C262 R263 L290 M291 R293 Y324 L328 | C262-E326 WeakPolarHBondContact O-CA 3.34Å; R263-E326 HydrophobicContact CG-CG 4.14Å; R263-E326 IonicContact CZ-OE1 3.67Å; R263-E326 IonicContact NE-OE1 3.81Å; R263-E326 PolarHBondContact NE-OE1 3.46Å; R263-E326 IonicContact NH2-OE1 2.66Å; R263-E326 PolarHBondContact NH2-OE1 2.79Å; L290-E326 WeakPolarHBondContact CA-O 3.43Å; M291-E326 HydrophobicContact CE-CG 4.24Å; M291-E326 PolarHBondContact N-O 2.73Å; M291-E326 PolarHBondContact O-N 2.87Å; R293-E326 IonicContact NH1-OE2 3.25Å; R293-E326 PolarHBondContact NH1-OE2 2.91Å; Y324-E326 HydrophobicContact CE1-CB 3.81Å; E326-L328 HydrophobicContact CG-CD2 4.32Å; E326-L328 HydrophobicContact CG-CG 4.3Å |
| 327 | L | 89.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.6 | 175.4 | 179.1 | 67 | 0 | 0 | 0 | 109.2 | T261 C262 W264 L283 R289 L290 L336 L338 | T261-L327 CarbonylContact C-O 3.53Å; T261-L327 WeakPolarHBondContact CA-O 3.37Å; C262-L327 HydrophobicContact CB-CB 4.32Å; C262-L327 PolarHBondContact N-O 3.01Å; C262-L327 PolarHBondContact O-N 3.2Å; W264-L327 HydrophobicContact CH2-CB 4.37Å; W264-L327 HydrophobicContact CH2-CD2 4.34Å; W264-L327 HydrophobicContact CZ3-CB 3.89Å; L283-L327 HydrophobicContact CD2-CD1 3.75Å; R289-L327 WeakPolarHBondContact O-CA 3.44Å; L290-L327 HydrophobicContact CB-CD1 4.27Å; L290-L327 HydrophobicContact CD1-CB 4.4Å; L290-L327 HydrophobicContact CD1-CD1 4.38Å; L327-L336 HydrophobicContact CD1-CD1 4.37Å; L327-L336 HydrophobicContact CD2-CD2 3.77Å; L327-L336 HydrophobicContact CD2-CG 4.41Å; L327-L336 HydrophobicContact CG-CD2 4.45Å; L327-L338 HydrophobicContact CB-CD2 4.3Å; L327-L338 HydrophobicContact CD1-CD2 4.35Å; L327-L338 HydrophobicContact CD2-CB 4.2Å; L327-L338 HydrophobicContact CD2-CD2 3.8Å; L327-L338 HydrophobicContact CG-CD2 4.39Å |
| 328 | L | 87.8 | Confident | 79.2 | Confident | 54 Ų | 54 | 43 Ų | 43 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.7 | 175.3 | -58.5 | 172.9 | 0 | 0 | 0 | 108.1 | T261 D288 R289 M291 E326 | T261-L328 HydrophobicContact CG2-CD2 3.54Å; D288-L328 CarbonylContact C-O 3.59Å; D288-L328 VanDerWaalsContact CA-O 3.3Å; D288-L328 WeakPolarHBondContact CA-O 3.29Å; R289-L328 PolarHBondContact N-O 3.33Å; R289-L328 PolarHBondContact O-N 3.38Å; M291-L328 HydrophobicContact CE-CD1 3.78Å; E326-L328 HydrophobicContact CG-CD2 4.32Å; E326-L328 HydrophobicContact CG-CG 4.3Å |
| 329 | S | 81.6 | Confident | 78.9 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.8 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 110 | N259 L260 D288 | N259-S329 CarbonylContact C-O 3.58Å; N259-S329 WeakPolarHBondContact CA-O 3.47Å; L260-S329 PolarHBondContact N-O 3.28Å; L260-S329 PolarHBondContact O-N 3.31Å; D288-S329 WeakPolarHBondContact OD1-CA 3.31Å; D288-S329 WeakPolarHBondContact OD1-CB 3.38Å; D288-S329 PolarHBondContact OD1-OG 3.01Å |
| 330 | E | 74.4 | Confident | 79.1 | Confident | 124 Ų | 124 | 37.7 Ų | 37.7 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -91.5 | -19.1 | -176.6 | -65.6 | -164.6 | 168.3 | 0 | 0 | 113.8 | P258 N287 | P258-E330 CarbonylContact O-C 3.56Å; N287-E330 PolarHBondContact O-N 3.41Å; N287-E330 VanDerWaalsContact O-N 3.15Å |
| 331 | T | 66.3 | Low | 79.5 | Confident | 62 Ų | 62 | 37.9 Ų | 37.9 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | trans | -144.8 | 109.1 | 173.6 | 53.8 | 0 | 0 | 0 | 0 | 111 | A333 | T331-A333 PolarHBondContact O-N 2.84Š| ||
| 332 | P | 57.7 | Low | 79.6 | Confident | 42 Ų | 42 | 33.8 Ų | 33.8 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 11.2 | 177.9 | 29.1 | -36.1 | 0 | 0 | 0 | 113.3 | P252 P258 N334 | P252-P332 WeakPolarHBondContact CB-O 3.4Å; P252-P332 WeakPolarHBondContact CG-O 3.25Å; P258-P332 WeakPolarHBondContact O-CD 3.32Å; P332-N334 VanDerWaalsContact C-N 3.28Å; P332-N334 PolarHBondContact O-N 2.64Å |
| 333 | A | 51.3 | Low | 79.5 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 70% | 0.702 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -6.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115 | T331 | T331-A333 PolarHBondContact O-N 2.84Š|
| 334 | N | 55.2 | Low | 79.4 | Confident | 104 Ų | 104 | 34.8 Ų | 34.8 | 56% | 0.556 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -122.4 | 149.7 | 168.7 | -74.5 | -31 | 0 | 0 | 0 | 107.8 | P332 L336 | P332-N334 VanDerWaalsContact C-N 3.28Å; P332-N334 PolarHBondContact O-N 2.64Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-L336 PolarHBondContact O-N 2.88Å |
| 335 | P | 54.7 | Low | 79.3 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 46% | 0.461 | 20% | 0.199 | S | C | . | . | trans | -68.7 | 93.7 | -164.8 | 30 | -35.9 | 0 | 0 | 0 | 110.9 | S282 L337 | S282-P335 PolarHBondContact OG-O 2.88Å; P335-L337 HydrophobicContact CB-CD1 3.45Å; P335-L337 VanDerWaalsContact CB-CD1 3.45Å; P335-L337 WeakPolarHBondContact O-CD1 3.43Å; P335-L337 PolarHBondContact O-N 2.97Å | ||
| 336 | L | 61 | Low | 79.1 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -67.3 | 94.8 | 168.3 | -176.4 | 88.4 | 0 | 0 | 0 | 107.5 | S249 L260 S282 L283 D288 L327 N334 | S249-L336 PolarHBondContact OG-O 3.35Å; S249-L336 VanDerWaalsContact OG-O 3.07Å; L260-L336 HydrophobicContact CD2-CD2 3.52Å; S282-L336 WeakPolarHBondContact O-CA 3.41Å; L283-L336 HydrophobicContact CD2-CD1 3.57Å; D288-L336 HydrophobicContact CB-CD1 3.94Å; D288-L336 VanDerWaalsContact CG-CD1 3.43Å; D288-L336 WeakPolarHBondContact OD2-CD1 3.21Å; L327-L336 HydrophobicContact CD1-CD1 4.37Å; L327-L336 HydrophobicContact CD2-CD2 3.77Å; L327-L336 HydrophobicContact CD2-CG 4.41Å; L327-L336 HydrophobicContact CG-CD2 4.45Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-L336 PolarHBondContact O-N 2.88Å | ||
| 337 | L | 73.4 | Confident | 78.8 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 102.3 | 175.3 | -83.8 | 80.4 | 0 | 0 | 0 | 108.9 | R280 V281 S282 P335 | R280-L337 CarbonylContact C-O 3.3Å; R280-L337 VanDerWaalsContact CZ-CD2 3.5Å; V281-L337 CarbonylContact C-O 3.45Å; V281-L337 WeakPolarHBondContact CA-O 3.43Å; S282-L337 PolarHBondContact N-O 2.87Å; S282-L337 PolarHBondContact O-N 3.1Å; P335-L337 HydrophobicContact CB-CD1 3.45Å; P335-L337 VanDerWaalsContact CB-CD1 3.45Å; P335-L337 WeakPolarHBondContact O-CD1 3.43Å; P335-L337 PolarHBondContact O-N 2.97Å |
| 338 | L | 84.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.3 | 165.7 | -176.7 | 64.2 | 0 | 0 | 0 | 108.8 | V248 S249 W264 R280 V281 L290 L327 L340 | V248-L338 CarbonylContact C-O 3.43Å; V248-L338 VanDerWaalsContact CA-O 3.23Å; V248-L338 WeakPolarHBondContact CA-O 3.03Å; S249-L338 PolarHBondContact N-O 3.43Å; S249-L338 PolarHBondContact OG-N 3.33Å; W264-L338 HydrophobicContact CH2-CD2 4.32Å; W264-L338 HydrophobicContact CZ3-CD2 4.17Å; R280-L338 CarbonylContact O-C 3.58Å; R280-L338 WeakPolarHBondContact O-CA 3.41Å; V281-L338 HydrophobicContact CG2-CD1 3.88Å; L290-L338 HydrophobicContact CD1-CD1 4.49Å; L290-L338 HydrophobicContact CD1-CD2 3.83Å; L290-L338 HydrophobicContact CD2-CD1 3.66Å; L290-L338 HydrophobicContact CD2-CD2 4.5Å; L327-L338 HydrophobicContact CB-CD2 4.3Å; L327-L338 HydrophobicContact CD1-CD2 4.35Å; L327-L338 HydrophobicContact CD2-CB 4.2Å; L327-L338 HydrophobicContact CD2-CD2 3.8Å; L327-L338 HydrophobicContact CG-CD2 4.39Å; L338-L340 HydrophobicContact CD1-CD1 3.93Å; L338-L340 HydrophobicContact CD1-CD2 3.79Å; L338-L340 HydrophobicContact CD1-CG 3.67Å; L338-L340 HydrophobicContact CD2-CD1 4.21Å; L338-L340 HydrophobicContact CG-CD1 4.25Å; L338-L340 HydrophobicContact CG-CG 4.04Å |
| 339 | S | 86.8 | Confident | 79 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 109.9 | 170.2 | -163 | 0 | 0 | 0 | 0 | 108.4 | R246 I247 E279 R280 | R246-S339 WeakPolarHBondContact CD-OG 3.35Å; R246-S339 PolarHBondContact NH1-OG 3.49Å; R246-S339 VanDerWaalsContact NH1-OG 3.12Å; I247-S339 WeakPolarHBondContact O-CA 3.08Å; E279-S339 PolarHBondContact N-O 2.88Å; E279-S339 VanDerWaalsContact N-O 3.09Å; R280-S339 PolarHBondContact N-O 3.41Å; R280-S339 PolarHBondContact O-N 2.84Å |
| 340 | L | 90.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.2 | 179.5 | -54.1 | 174.2 | 0 | 0 | 0 | 109.1 | R246 I247 L276 H277 F278 V281 V325 L338 | R246-L340 CarbonylContact C-O 3.54Å; R246-L340 VanDerWaalsContact CA-O 3.26Å; R246-L340 WeakPolarHBondContact CA-O 3.02Å; R246-L340 WeakPolarHBondContact CG-O 3.49Å; I247-L340 HydrophobicContact CD1-CB 4.17Å; I247-L340 HydrophobicContact CD1-CD1 3.9Å; I247-L340 HydrophobicContact CG1-CB 3.71Å; I247-L340 HydrophobicContact CG1-CD1 4.28Å; I247-L340 HydrophobicContact CG1-CG 4.36Å; I247-L340 PolarHBondContact N-O 2.98Å; I247-L340 PolarHBondContact O-N 3.25Å; L276-L340 HydrophobicContact CD2-CB 4.35Å; H277-L340 WeakPolarHBondContact O-CA 3.34Å; F278-L340 HydrophobicContact CB-CD2 4.22Å; F278-L340 HydrophobicContact CD1-CD2 3.48Å; F278-L340 VanDerWaalsContact CD1-CD2 3.48Å; F278-L340 HydrophobicContact CD2-CD2 4.31Å; F278-L340 HydrophobicContact CE1-CD2 3.81Å; F278-L340 HydrophobicContact CG-CD2 3.74Å; F278-L340 HydrophobicContact CZ-CD2 4.34Å; V281-L340 HydrophobicContact CG2-CD2 4.28Å; V325-L340 HydrophobicContact CG1-CD1 4.11Å; L338-L340 HydrophobicContact CD1-CD1 3.93Å; L338-L340 HydrophobicContact CD1-CD2 3.79Å; L338-L340 HydrophobicContact CD1-CG 3.67Å; L338-L340 HydrophobicContact CD2-CD1 4.21Å; L338-L340 HydrophobicContact CG-CD1 4.25Å; L338-L340 HydrophobicContact CG-CG 4.04Å |
| 341 | R | 91.1 | Very high | 80.3 | Confident | 37 Ų | 37 | 39 Ų | 39 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.5 | 171.3 | 177.7 | 178.2 | -179.3 | -90.6 | -1.1 | 108.3 | G245 L276 H277 E279 E343 | G245-R341 WeakPolarHBondContact O-CA 3.19Å; L276-R341 CarbonylContact C-O 3.44Å; L276-R341 WeakPolarHBondContact CA-O 3.45Å; H277-R341 HydrophobicContact CB-CB 4.34Å; H277-R341 PolarHBondContact N-O 2.86Å; H277-R341 PolarHBondContact O-N 3.45Å; E279-R341 HydrophobicContact CG-CB 4.19Å; R341-E343 IonicContact CZ-OE2 2.71Å; R341-E343 IonicContact NH1-OE2 2.79Å; R341-E343 PolarHBondContact NH1-OE2 2.76Å; R341-E343 IonicContact NH2-OE2 3.92Å; R341-E343 PolarHBondContact NH2-OE2 3.13Å |
| 342 | F | 92.6 | Very high | 81.4 | Confident | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.7 | 174.2 | 63.3 | -95.8 | 0 | 0 | 0 | 111 | I239 A242 L244 G245 I247 I266 H275 L276 | I239-F342 HydrophobicContact CD1-CE1 3.59Å; I239-F342 HydrophobicContact CD1-CZ 3.62Å; I239-F342 HydrophobicContact CG2-CE2 4.39Å; I239-F342 HydrophobicContact CG2-CZ 4.03Å; A242-F342 HydrophobicContact CB-CD2 4.19Å; A242-F342 HydrophobicContact CB-CE2 3.81Å; L244-F342 WeakPolarHBondContact CA-O 3.44Å; L244-F342 WeakPolarHBondContact CD1-O 3.34Å; G245-F342 VanDerWaalsContact CA-CZ 3.42Å; G245-F342 PolarHBondContact N-O 3.12Å; G245-F342 PolarHBondContact O-N 2.96Å; I247-F342 HydrophobicContact CG2-CD1 4.37Å; I247-F342 HydrophobicContact CG2-CE1 4.1Å; I266-F342 HydrophobicContact CD1-CB 4.13Å; I266-F342 HydrophobicContact CD1-CD1 3.84Å; I266-F342 HydrophobicContact CD1-CE1 4.47Å; I266-F342 HydrophobicContact CD1-CG 4.01Å; I266-F342 HydrophobicContact CG2-CD2 3.91Å; I266-F342 HydrophobicContact CG2-CE2 4.17Å; I266-F342 HydrophobicContact CG2-CG 4.16Å; H275-F342 CarbonylContact O-C 3.49Å; H275-F342 VanDerWaalsContact O-CA 3.24Å; H275-F342 WeakPolarHBondContact O-CA 3.4Å; L276-F342 HydrophobicContact CD2-CB 3.76Å |
| 343 | E | 92.7 | Very high | 82.9 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.9 | 176.1 | -176.8 | 174.9 | 141.9 | 0 | 0 | 110.2 | T243 L244 L274 H275 R341 A352 | T243-E343 CarbonylContact O-C 3.59Å; T243-E343 WeakPolarHBondContact O-CA 3.45Å; L244-E343 HydrophobicContact CD1-CB 4Å; L244-E343 HydrophobicContact CD1-CG 4.2Å; L274-E343 CarbonylContact C-O 3.59Å; L274-E343 WeakPolarHBondContact CA-O 3.45Å; H275-E343 PolarHBondContact N-O 2.68Å; H275-E343 PolarHBondContact O-N 2.94Å; R341-E343 IonicContact CZ-OE2 2.71Å; R341-E343 IonicContact NH1-OE2 2.79Å; R341-E343 PolarHBondContact NH1-OE2 2.76Å; R341-E343 IonicContact NH2-OE2 3.92Å; R341-E343 PolarHBondContact NH2-OE2 3.13Å; E343-A352 WeakPolarHBondContact OE1-CB 3.49Å; E343-A352 PolarHBondContact OE1-N 3.07Å |
| 344 | A | 93.2 | Very high | 84.5 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | A242 T243 A268 R272 R273 L274 | A242-A344 WeakPolarHBondContact O-CB 3.36Å; T243-A344 PolarHBondContact O-N 3.18Å; A268-A344 HydrophobicContact CB-CB 3.81Å; R272-A344 HydrophobicContact CB-CB 4.47Å; R273-A344 CarbonylContact O-C 3.6Å; R273-A344 VanDerWaalsContact O-CA 3.28Å; R273-A344 WeakPolarHBondContact O-CA 3.38Å; L274-A344 HydrophobicContact CD2-CB 3.91Å |
| 345 | F | 92.1 | Very high | 86 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.8 | -177.2 | 69.5 | -78 | 0 | 0 | 0 | 110.8 | R272 R273 H275 I317 F351 | R272-F345 CarbonylContact C-O 3.54Å; R272-F345 WeakPolarHBondContact CA-O 3.47Å; R272-F345 WeakPolarHBondContact CB-O 3.38Å; R273-F345 HydrophobicContact CB-CE1 3.9Å; R273-F345 HydrophobicContact CB-CE2 4.45Å; R273-F345 HydrophobicContact CB-CZ 3.87Å; R273-F345 PolarHBondContact N-O 2.78Å; R273-F345 WeakPolarHBondContact O-CD1 3.26Å; R273-F345 PolarHBondContact O-N 3.09Å; H275-F345 HydrophobicContact CB-CD1 4.11Å; H275-F345 HydrophobicContact CB-CE1 3.79Å; I317-F345 HydrophobicContact CG2-CE1 4.31Å; I317-F345 HydrophobicContact CG2-CZ 3.87Å; F345-F351 HydrophobicContact CB-CB 4.34Å; F345-F351 HydrophobicContact CD1-CB 3.77Å; F345-F351 HydrophobicContact CD2-CB 4.21Å; F345-F351 HydrophobicContact CE1-CB 4.09Å; F345-F351 HydrophobicContact CE2-CB 4.49Å; F345-F351 HydrophobicContact CG-CB 3.85Å; F345-F351 HydrophobicContact CZ-CB 4.43Å |
| 346 | E | 90.8 | Very high | 87.3 | Confident | 70 Ų | 70 | 28 Ų | 28 | 33% | 0.327 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 152.6 | -180 | -57.2 | 176.8 | 179.3 | 0 | 0 | 110.4 | R272 D348 R349 | R272-E346 HydrophobicContact CG-CG 4.41Å; R272-E346 IonicContact NH2-OE1 2.84Å; E346-D348 WeakPolarHBondContact CB-OD1 3.38Å; E346-D348 PolarHBondContact O-N 3.12Å; E346-R349 HydrophobicContact CB-CG 4.28Å; E346-R349 WeakPolarHBondContact O-CG 3.26Å; E346-R349 PolarHBondContact O-N 2.95Å; E346-R349 IonicContact OE2-CZ 3.5Å; E346-R349 IonicContact OE2-NE 2.86Å; E346-R349 PolarHBondContact OE2-NE 2.91Å; E346-R349 IonicContact OE2-NH2 3.37Å; E346-R349 PolarHBondContact OE2-NH2 3.36Å |
| 347 | E | 87.4 | Confident | 88.6 | Confident | 102 Ų | 102 | 31.2 Ų | 31.2 | 48% | 0.477 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.7 | -174.6 | -58.3 | -168.1 | 137.3 | 0 | 0 | 114.5 | R273 R349 | R273-E347 HydrophobicContact CG-CG 4.07Å; R273-E347 IonicContact CZ-OE1 2.7Å; R273-E347 VanDerWaalsContact CZ-OE1 3.25Å; R273-E347 IonicContact NE-OE1 3.78Å; R273-E347 PolarHBondContact NE-OE1 2.88Å; R273-E347 IonicContact NH2-OE1 3.25Å; R273-E347 PolarHBondContact NH2-OE1 2.88Å; E347-R349 VanDerWaalsContact C-N 3.35Å |
| 348 | D | 89.6 | Confident | 89.3 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.8 | -176.4 | 73.2 | -36 | 0 | 0 | 0 | 114.1 | E346 R368 P369 | E346-D348 WeakPolarHBondContact CB-OD1 3.38Å; E346-D348 PolarHBondContact O-N 3.12Å; D348-R368 IonicContact OD2-NH1 3.75Å; D348-P369 WeakPolarHBondContact O-CD 3.31Å |
| 349 | R | 91.6 | Very high | 89.6 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -146.6 | 161.6 | -174.1 | 65.3 | -171.8 | 81.1 | -92.3 | -7.2 | 111.5 | E346 E347 E366 | E346-R349 HydrophobicContact CB-CG 4.28Å; E346-R349 WeakPolarHBondContact O-CG 3.26Å; E346-R349 PolarHBondContact O-N 2.95Å; E346-R349 IonicContact OE2-CZ 3.5Å; E346-R349 IonicContact OE2-NE 2.86Å; E346-R349 PolarHBondContact OE2-NE 2.91Å; E346-R349 IonicContact OE2-NH2 3.37Å; E346-R349 PolarHBondContact OE2-NH2 3.36Å; E347-R349 VanDerWaalsContact C-N 3.35Å; R349-E366 WeakPolarHBondContact CB-O 3.13Å; R349-E366 WeakPolarHBondContact CD-O 3.37Å; R349-E366 PolarHBondContact NH1-O 2.84Å; R349-E366 VanDerWaalsContact NH1-O 3.08Å; R349-E366 IonicContact NH1-OE2 3.81Å; R349-E366 PolarHBondContact NH1-OE2 2.86Å |
| 350 | C | 92.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 153.2 | 170.2 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | Y367 C394 H401 W402 | C350-Y367 PolarHBondContact N-O 3.46Å; C350-Y367 WeakPolarHBondContact O-CB 3.09Å; C350-C394 HydrophobicContact CB-CB 3.83Å; C350-C394 WeakPolarHBondContact CB-SG 3.35Å; C350-C394 VanDerWaalsContact SG-CA 3.5Å; C350-C394 WeakPolarHBondContact SG-CB 3.34Å; C350-C394 CovalentContact SG-SG 2.04Å; C350-C394 PolarHBondContact SG-SG 2.88Å; C350-H401 PolarHBondContact SG-N 3.31Å; C350-W402 HydrophobicContact CB-CD2 4Å; C350-W402 VanDerWaalsContact CB-CE2 3.46Å; C350-W402 HydrophobicContact CB-CG 4.48Å; C350-W402 HydrophobicContact CB-CH2 4.23Å; C350-W402 HydrophobicContact CB-CZ2 3.56Å |
| 351 | F | 91.3 | Very high | 90 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -69 | 153.8 | 174 | 61.2 | -95.9 | 0 | 0 | 0 | 111 | H275 I317 F345 P353 W402 E406 | H275-F351 HydrophobicContact CB-CB 4.05Å; H275-F351 HydrophobicContact CB-CD1 4.36Å; H275-F351 HydrophobicContact CB-CG 4.07Å; H275-F351 AromaticContact CD2-CD1 3.91Å; H275-F351 AromaticContact CD2-CE1 3.77Å; H275-F351 AromaticContact CD2-CZ 3.82Å; H275-F351 AromaticContact CE1-CD2 3.55Å; H275-F351 AromaticContact CE1-CE2 3.21Å; H275-F351 WeakPolarHBondContact CE1-CE2 3.39Å; H275-F351 AromaticContact CE1-CZ 3.62Å; H275-F351 AromaticContact CG-CD2 3.84Å; H275-F351 AromaticContact CG-CG 3.78Å; H275-F351 AromaticContact ND1-CD2 3.48Å; H275-F351 WeakPolarHBondContact ND1-CD2 3.45Å; H275-F351 AromaticContact ND1-CE2 3.67Å; H275-F351 AromaticContact ND1-CG 3.91Å; H275-F351 AromaticContact NE2-CD2 3.99Å; H275-F351 AromaticContact NE2-CE1 3.78Å; H275-F351 AromaticContact NE2-CE2 3.47Å; H275-F351 WeakPolarHBondContact NE2-CE2 3.08Å; H275-F351 AromaticContact NE2-CZ 3.33Å; H275-F351 VanDerWaalsContact NE2-CZ 3.33Å; H275-F351 WeakPolarHBondContact NE2-CZ 3.3Å; I317-F351 HydrophobicContact CD1-CD1 4.31Å; I317-F351 HydrophobicContact CD1-CE1 4.1Å; F345-F351 HydrophobicContact CB-CB 4.34Å; F345-F351 HydrophobicContact CD1-CB 3.77Å; F345-F351 HydrophobicContact CD2-CB 4.21Å; F345-F351 HydrophobicContact CE1-CB 4.09Å; F345-F351 HydrophobicContact CE2-CB 4.49Å; F345-F351 HydrophobicContact CG-CB 3.85Å; F345-F351 HydrophobicContact CZ-CB 4.43Å; F351-P353 WeakPolarHBondContact O-CD 3.44Å; F351-W402 AromaticContact CD2-NE1 3.83Å; F351-W402 AromaticContact CE1-CD1 3.56Å; F351-W402 AromaticContact CE1-NE1 3.99Å; F351-W402 AromaticContact CE2-CD1 3.75Å; F351-W402 AromaticContact CE2-NE1 3.72Å; F351-W402 AromaticContact CZ-CD1 3.38Å; F351-W402 AromaticContact CZ-NE1 3.82Å; F351-W402 VanDerWaalsContact O-CZ2 3.27Å; F351-W402 WeakPolarHBondContact O-CZ2 3.13Å; F351-W402 PolarHBondContact O-NE1 2.86Å; F351-E406 VanDerWaalsContact CE2-OE1 3.28Å; F351-E406 WeakPolarHBondContact CE2-OE1 2.98Å |
| 352 | A | 89.9 | Confident | 90.1 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 123.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | E343 Y367 | E343-A352 WeakPolarHBondContact OE1-CB 3.49Å; E343-A352 PolarHBondContact OE1-N 3.07Å; A352-Y367 HydrophobicContact CB-CD2 4.01Å; A352-Y367 HydrophobicContact CB-CE2 3.39Å |
| 353 | P | 89.2 | Confident | 90.2 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -71 | 149 | -178.6 | 28.8 | -31.7 | 0 | 0 | 0 | 110.2 | F351 V360 Y367 A373 F375 I392 W402 E406 | F351-P353 WeakPolarHBondContact O-CD 3.44Å; P353-V360 HydrophobicContact CG-CG1 3.99Å; P353-Y367 HydrophobicContact CG-CE1 4.41Å; P353-A373 HydrophobicContact CG-CB 3.78Å; P353-F375 HydrophobicContact CB-CE1 4.02Å; P353-F375 HydrophobicContact CB-CZ 4.02Å; P353-F375 HydrophobicContact CG-CE1 4.28Å; P353-F375 HydrophobicContact CG-CZ 4.24Å; P353-I392 HydrophobicContact CB-CD1 4.1Å; P353-I392 HydrophobicContact CG-CD1 4.47Å; P353-W402 HydrophobicContact CG-CZ2 4.13Å; P353-E406 HydrophobicContact CB-CG 3.55Å |
| 354 | F | 84 | Confident | 90.2 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | trans | -116.3 | 135 | -178.2 | 174.8 | -106.1 | 0 | 0 | 0 | 111.2 | H277 E279 A356 | H277-F354 AromaticContact CD2-CD1 3.65Å; H277-F354 AromaticContact NE2-CD1 3.6Å; E279-F354 HydrophobicContact CG-CE1 4.05Å; E279-F354 VanDerWaalsContact OE1-CE1 3.26Å; E279-F354 WeakPolarHBondContact OE1-CE1 3.32Å; E279-F354 VanDerWaalsContact OE1-CZ 3.26Å; E279-F354 WeakPolarHBondContact OE1-CZ 3.42Å; F354-A356 HydrophobicContact CE1-CB 3.9Å; F354-A356 HydrophobicContact CZ-CB 4.08Å | ||
| 355 | L | 86.4 | Confident | 90.1 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | trans | -129 | 104.6 | 176.4 | -173.9 | 67.8 | 0 | 0 | 0 | 109.3 | H357 G358 V360 F375 S376 P407 C409 | L355-H357 PolarHBondContact O-N 2.85Å; L355-G358 PolarHBondContact O-N 2.84Å; L355-V360 HydrophobicContact CB-CG2 3.85Å; L355-F375 HydrophobicContact CB-CD1 4.21Å; L355-F375 HydrophobicContact CD1-CD1 4.4Å; L355-F375 HydrophobicContact CD2-CB 3.96Å; L355-F375 HydrophobicContact CD2-CD1 4.01Å; L355-F375 HydrophobicContact CD2-CG 4.47Å; L355-F375 HydrophobicContact CG-CD1 4.46Å; L355-S376 WeakPolarHBondContact CD2-O 3.45Å; L355-P407 WeakPolarHBondContact CD1-O 3.4Å; L355-C409 HydrophobicContact CD1-CB 4.49Å | ||
| 356 | A | 82.9 | Confident | 90.1 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 136.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F354 G358 C409 | F354-A356 HydrophobicContact CE1-CB 3.9Å; F354-A356 HydrophobicContact CZ-CB 4.08Å; A356-G358 PolarHBondContact O-N 3.46Å; A356-C409 WeakPolarHBondContact O-CB 3.46Å |
| 357 | H | 87.6 | Confident | 90.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 33 | -179.2 | -50.3 | -63.4 | 0 | 0 | 0 | 114.6 | L355 L378 Y381 C409 P430 | L355-H357 PolarHBondContact O-N 2.85Å; H357-L378 HydrophobicContact CB-CD1 4.5Å; H357-L378 VanDerWaalsContact O-CB 3.31Å; H357-L378 WeakPolarHBondContact O-CB 3.04Å; H357-L378 VanDerWaalsContact O-CG 3.32Å; H357-L378 WeakPolarHBondContact O-CG 3.49Å; H357-L378 PolarHBondContact O-N 3.05Å; H357-Y381 HydrophobicContact CB-CD1 3.84Å; H357-Y381 HydrophobicContact CB-CD2 3.92Å; H357-Y381 HydrophobicContact CB-CE1 3.75Å; H357-Y381 HydrophobicContact CB-CE2 3.82Å; H357-Y381 HydrophobicContact CB-CG 3.94Å; H357-Y381 AromaticContact CD2-CE1 3.7Å; H357-Y381 AromaticContact CD2-CZ 3.92Å; H357-Y381 AromaticContact CG-CE1 3.67Å; H357-Y381 AromaticContact CG-CZ 3.55Å; H357-Y381 AromaticContact ND1-CZ 3.84Å; H357-C409 HydrophobicContact CB-CB 4.41Å; H357-P430 WeakPolarHBondContact NE2-CD 3.35Å |
| 358 | G | 89.1 | Confident | 90.5 | Very high | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | -177.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L355 A356 S376 | L355-G358 PolarHBondContact O-N 2.84Å; A356-G358 PolarHBondContact O-N 3.46Å; G358-S376 CarbonylContact C-O 3.59Å; G358-S376 WeakPolarHBondContact CA-O 3.47Å |
| 359 | N | 90.9 | Very high | 90.8 | Very high | 95 Ų | 95 | 51 Ų | 51 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.6 | 177.1 | -62.9 | -33.5 | 0 | 0 | 0 | 109.7 | S376 | N359-S376 PolarHBondContact N-O 3.43Å; N359-S376 PolarHBondContact O-N 3.37Å; N359-S376 PolarHBondContact O-OG 3.03Å; N359-S376 VanDerWaalsContact O-OG 3.1Å |
| 360 | V | 91.5 | Very high | 90.8 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.8 | 174.8 | -173.8 | 0 | 0 | 0 | 0 | 109 | P353 L355 A373 T374 F375 | P353-V360 HydrophobicContact CG-CG1 3.99Å; L355-V360 HydrophobicContact CB-CG2 3.85Å; V360-A373 HydrophobicContact CG1-CB 4.11Å; V360-T374 WeakPolarHBondContact CA-O 3.04Å; V360-F375 HydrophobicContact CG1-CD1 4.38Å; V360-F375 HydrophobicContact CG1-CE1 4.14Å; V360-F375 HydrophobicContact CG2-CD1 3.83Å; V360-F375 HydrophobicContact CG2-CE1 3.88Å |
| 361 | T | 93.2 | Very high | 91 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.3 | 171.8 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | A373 T374 | T361-A373 CarbonylContact O-C 3.55Å; T361-T374 PolarHBondContact N-O 3.23Å; T361-T374 PolarHBondContact O-N 3.42Å; T361-T374 PolarHBondContact O-OG1 3.1Å; T361-T374 PolarHBondContact OG1-OG1 2.94Å |
| 362 | T | 93.8 | Very high | 91.1 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.3 | -175.4 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | D364 Y367 L372 | T362-D364 VanDerWaalsContact CG2-O 3.32Å; T362-D364 WeakPolarHBondContact CG2-O 3.33Å; T362-D364 PolarHBondContact OG1-N 3.07Å; T362-D364 PolarHBondContact OG1-O 2.81Å; T362-Y367 HydrophobicContact CG2-CE1 3.86Å; T362-L372 VanDerWaalsContact CA-O 3.3Å; T362-L372 WeakPolarHBondContact CA-O 3.45Å |
| 363 | T | 94.4 | Very high | 91.3 | Very high | 103 Ų | 103 | 53.3 Ų | 53.3 | 63% | 0.632 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -75.1 | -26.8 | 171 | 57.3 | 0 | 0 | 0 | 0 | 113 | L372 | T363-L372 HydrophobicContact CG2-CB 3.98Å; T363-L372 PolarHBondContact N-O 2.66Å; T363-L372 VanDerWaalsContact N-O 3.1Å; T363-L372 PolarHBondContact OG1-N 2.77Å |
| 364 | D | 93.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | trans | -134.9 | 116.4 | 176.6 | -173.7 | -17.4 | 0 | 0 | 0 | 109.3 | T362 E366 Y367 A371 | T362-D364 VanDerWaalsContact CG2-O 3.32Å; T362-D364 WeakPolarHBondContact CG2-O 3.33Å; T362-D364 PolarHBondContact OG1-N 3.07Å; T362-D364 PolarHBondContact OG1-O 2.81Å; D364-E366 PolarHBondContact O-N 3.39Å; D364-E366 PolarHBondContact OD1-N 2.86Å; D364-Y367 PolarHBondContact O-N 2.03Å; D364-Y367 VanDerWaalsContact O-N 3.14Å; D364-A371 HydrophobicContact CB-CB 3.91Å | ||
| 365 | P | 91.1 | Very high | 91.9 | Very high | 103 Ų | 103 | 52.9 Ų | 52.9 | 67% | 0.669 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.6 | -179.6 | 29 | -36.2 | 0 | 0 | 0 | 113.6 | ||
| 366 | E | 90.7 | Very high | 92.1 | Very high | 93 Ų | 93 | 55 Ų | 55 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.9 | 177 | -60.7 | -171.1 | 172.4 | 0 | 0 | 113.3 | R349 D364 R368 | R349-E366 WeakPolarHBondContact CB-O 3.13Å; R349-E366 WeakPolarHBondContact CD-O 3.37Å; R349-E366 PolarHBondContact NH1-O 2.84Å; R349-E366 VanDerWaalsContact NH1-O 3.08Å; R349-E366 IonicContact NH1-OE2 3.81Å; R349-E366 PolarHBondContact NH1-OE2 2.86Å; D364-E366 PolarHBondContact O-N 3.39Å; D364-E366 PolarHBondContact OD1-N 2.86Å; E366-R368 HydrophobicContact CB-CG 4.29Å; E366-R368 PolarHBondContact O-N 3.48Å; E366-R368 VanDerWaalsContact O-N 3.11Å; E366-R368 IonicContact OE2-CZ 3.11Å; E366-R368 IonicContact OE2-NE 2.77Å; E366-R368 PolarHBondContact OE2-NE 2.04Å; E366-R368 IonicContact OE2-NH2 2.67Å; E366-R368 PolarHBondContact OE2-NH2 3.49Å |
| 367 | Y | 93.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | trans | 49.7 | 38.1 | 175 | -55.8 | -70 | 0 | 0 | 0 | 114.9 | C350 A352 P353 T362 D364 A373 C394 W402 | C350-Y367 PolarHBondContact N-O 3.46Å; C350-Y367 WeakPolarHBondContact O-CB 3.09Å; A352-Y367 HydrophobicContact CB-CD2 4.01Å; A352-Y367 HydrophobicContact CB-CE2 3.39Å; P353-Y367 HydrophobicContact CG-CE1 4.41Å; T362-Y367 HydrophobicContact CG2-CE1 3.86Å; D364-Y367 PolarHBondContact O-N 2.03Å; D364-Y367 VanDerWaalsContact O-N 3.14Å; Y367-A373 HydrophobicContact CE1-CB 4.49Å; Y367-C394 PolarHBondContact O-SG 3.2Å; Y367-C394 VanDerWaalsContact O-SG 3.35Å; Y367-W402 AromaticContact CD1-CH2 3.7Å; Y367-W402 HydrophobicContact CD1-CH2 3.7Å; Y367-W402 AromaticContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CE1-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CZ2 4.24Å | ||
| 368 | R | 94.4 | Very high | 92.8 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 39% | 0.389 | 32% | 0.316 | S | S | . | . | trans | -65.9 | 160.5 | 175.7 | -65.6 | 174.5 | 179 | -90.5 | -1.7 | 110.9 | D348 E366 G370 A371 | D348-R368 IonicContact OD2-NH1 3.75Å; E366-R368 HydrophobicContact CB-CG 4.29Å; E366-R368 PolarHBondContact O-N 3.48Å; E366-R368 VanDerWaalsContact O-N 3.11Å; E366-R368 IonicContact OE2-CZ 3.11Å; E366-R368 IonicContact OE2-NE 2.77Å; E366-R368 PolarHBondContact OE2-NE 2.04Å; E366-R368 IonicContact OE2-NH2 2.67Å; E366-R368 PolarHBondContact OE2-NH2 3.49Å; R368-G370 PolarHBondContact O-N 2.75Å; R368-A371 WeakPolarHBondContact O-CB 3.36Å; R368-A371 PolarHBondContact O-N 3.2Å | ||
| 369 | P | 95.2 | Very high | 92.9 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 31% | 0.312 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 127.9 | 173.8 | -28.1 | 35.2 | 0 | 0 | 0 | 112.2 | D348 C394 P397 P400 | D348-P369 WeakPolarHBondContact O-CD 3.31Å; P369-C394 CarbonylContact C-O 3.51Å; P369-P397 HydrophobicContact CB-CB 4.47Å; P369-P400 HydrophobicContact CG-CB 4.19Å; P369-P400 HydrophobicContact CG-CG 3.93Å |
| 370 | G | 92.9 | Very high | 92.8 | Very high | 46 Ų | 46 | 54.5 Ų | 54.5 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -2.7 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | R368 C394 | R368-G370 PolarHBondContact O-N 2.75Å; G370-C394 PolarHBondContact N-O 2.82Å |
| 371 | A | 95 | Very high | 92.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | trans | -70.8 | 135.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D364 R368 E393 C394 | D364-A371 HydrophobicContact CB-CB 3.91Å; R368-A371 WeakPolarHBondContact O-CB 3.36Å; R368-A371 PolarHBondContact O-N 3.2Å; A371-E393 WeakPolarHBondContact O-CA 3.41Å; A371-C394 HydrophobicContact CB-CB 4.34Å; A371-C394 PolarHBondContact O-N 2.84Å | ||
| 372 | L | 94.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118 | 175.4 | -173.5 | 77.5 | 0 | 0 | 0 | 109.8 | T362 T363 T374 A391 I392 E393 | T362-L372 VanDerWaalsContact CA-O 3.3Å; T362-L372 WeakPolarHBondContact CA-O 3.45Å; T363-L372 HydrophobicContact CG2-CB 3.98Å; T363-L372 PolarHBondContact N-O 2.66Å; T363-L372 VanDerWaalsContact N-O 3.1Å; T363-L372 PolarHBondContact OG1-N 2.77Å; L372-T374 HydrophobicContact CD2-CG2 4.17Å; L372-T374 HydrophobicContact CG-CG2 4.37Å; L372-A391 HydrophobicContact CD1-CB 3.9Å; L372-A391 HydrophobicContact CD2-CB 4.41Å; L372-A391 HydrophobicContact CG-CB 4.11Å; L372-I392 CarbonylContact C-O 3.53Å; L372-I392 WeakPolarHBondContact CA-O 3.06Å; L372-E393 HydrophobicContact CD1-CB 4.27Å |
| 373 | A | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P353 V360 T361 Y367 F375 A391 I392 W402 | P353-A373 HydrophobicContact CG-CB 3.78Å; V360-A373 HydrophobicContact CG1-CB 4.11Å; T361-A373 CarbonylContact O-C 3.55Å; Y367-A373 HydrophobicContact CE1-CB 4.49Å; A373-F375 HydrophobicContact CB-CZ 4.37Å; A373-A391 CarbonylContact O-C 3.58Å; A373-A391 WeakPolarHBondContact O-CA 3.31Å; A373-A391 WeakPolarHBondContact O-CB 3.34Å; A373-I392 HydrophobicContact CB-CG1 3.97Å; A373-I392 PolarHBondContact N-O 2.7Å; A373-I392 PolarHBondContact O-N 2.79Å; A373-W402 HydrophobicContact CB-CH2 3.96Å; A373-W402 HydrophobicContact CB-CZ3 4.17Å |
| 374 | T | 92.8 | Very high | 91.9 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.1 | -175.7 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | V360 T361 L372 N390 A391 | V360-T374 WeakPolarHBondContact CA-O 3.04Å; T361-T374 PolarHBondContact N-O 3.23Å; T361-T374 PolarHBondContact O-N 3.42Å; T361-T374 PolarHBondContact O-OG1 3.1Å; T361-T374 PolarHBondContact OG1-OG1 2.94Å; L372-T374 HydrophobicContact CD2-CG2 4.17Å; L372-T374 HydrophobicContact CG-CG2 4.37Å; T374-N390 WeakPolarHBondContact CA-O 2.99Å; T374-A391 HydrophobicContact CG2-CB 3.67Å |
| 375 | F | 92.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.7 | -169.2 | -58.9 | -80.3 | 0 | 0 | 0 | 111.9 | P353 L355 V360 A373 L383 N390 I392 E406 P407 | P353-F375 HydrophobicContact CB-CE1 4.02Å; P353-F375 HydrophobicContact CB-CZ 4.02Å; P353-F375 HydrophobicContact CG-CE1 4.28Å; P353-F375 HydrophobicContact CG-CZ 4.24Å; L355-F375 HydrophobicContact CB-CD1 4.21Å; L355-F375 HydrophobicContact CD1-CD1 4.4Å; L355-F375 HydrophobicContact CD2-CB 3.96Å; L355-F375 HydrophobicContact CD2-CD1 4.01Å; L355-F375 HydrophobicContact CD2-CG 4.47Å; L355-F375 HydrophobicContact CG-CD1 4.46Å; V360-F375 HydrophobicContact CG1-CD1 4.38Å; V360-F375 HydrophobicContact CG1-CE1 4.14Å; V360-F375 HydrophobicContact CG2-CD1 3.83Å; V360-F375 HydrophobicContact CG2-CE1 3.88Å; A373-F375 HydrophobicContact CB-CZ 4.37Å; F375-L383 HydrophobicContact CB-CD2 4.14Å; F375-N390 WeakPolarHBondContact CD2-O 3.32Å; F375-N390 PolarHBondContact N-O 3.39Å; F375-I392 HydrophobicContact CE2-CB 4.32Å; F375-I392 HydrophobicContact CE2-CD1 4.1Å; F375-I392 HydrophobicContact CE2-CG1 3.73Å; F375-I392 HydrophobicContact CE2-CG2 4Å; F375-I392 HydrophobicContact CZ-CD1 3.68Å; F375-I392 HydrophobicContact CZ-CG1 3.76Å; F375-E406 HydrophobicContact CE1-CB 4.32Å; F375-E406 HydrophobicContact CE1-CG 4.15Å; F375-E406 HydrophobicContact CZ-CB 4.3Å; F375-E406 HydrophobicContact CZ-CG 4Å; F375-P407 HydrophobicContact CB-CG 3.76Å; F375-P407 HydrophobicContact CD1-CG 4.23Å; F375-P407 VanDerWaalsContact CD2-CD 3.49Å; F375-P407 HydrophobicContact CD2-CG 3.68Å; F375-P407 HydrophobicContact CE2-CG 4.35Å; F375-P407 HydrophobicContact CG-CG 3.62Å |
| 376 | S | 91.5 | Very high | 90.2 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 137.6 | 175.5 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | L355 G358 N359 | L355-S376 WeakPolarHBondContact CD2-O 3.45Å; G358-S376 CarbonylContact C-O 3.59Å; G358-S376 WeakPolarHBondContact CA-O 3.47Å; N359-S376 PolarHBondContact N-O 3.43Å; N359-S376 PolarHBondContact O-N 3.37Å; N359-S376 PolarHBondContact O-OG 3.03Å; N359-S376 VanDerWaalsContact O-OG 3.1Å |
| 377 | C | 92 | Very high | 88.9 | Confident | 34 Ų | 34 | 51 Ų | 51 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 153.8 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | Y381 L383 C409 | C377-Y381 WeakPolarHBondContact CB-O 3.36Å; C377-L383 WeakPolarHBondContact SG-CD2 3.11Å; C377-L383 PolarHBondContact SG-N 3.1Å; C377-C409 WeakPolarHBondContact CA-SG 3.48Å; C377-C409 HydrophobicContact CB-CB 3.89Å; C377-C409 WeakPolarHBondContact CB-SG 3.2Å; C377-C409 VanDerWaalsContact SG-CA 3.59Å; C377-C409 WeakPolarHBondContact SG-CB 3.38Å; C377-C409 CovalentContact SG-SG 2.04Å; C377-C409 PolarHBondContact SG-SG 3.07Å |
| 378 | L | 92.6 | Very high | 87.8 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 158.4 | 169.9 | -67.3 | 176.7 | 0 | 0 | 0 | 110.8 | H357 G380 Y381 | H357-L378 HydrophobicContact CB-CD1 4.5Å; H357-L378 VanDerWaalsContact O-CB 3.31Å; H357-L378 WeakPolarHBondContact O-CB 3.04Å; H357-L378 VanDerWaalsContact O-CG 3.32Å; H357-L378 WeakPolarHBondContact O-CG 3.49Å; H357-L378 PolarHBondContact O-N 3.05Å; L378-G380 PolarHBondContact O-N 3.24Å; L378-Y381 HydrophobicContact CB-CD2 4.18Å; L378-Y381 WeakPolarHBondContact O-CB 3.39Å; L378-Y381 PolarHBondContact O-N 3.29Å |
| 379 | P | 91 | Very high | 86.6 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 130.6 | 178.5 | -26.9 | 35.3 | 0 | 0 | 0 | 112.8 | V423 | P379-V423 HydrophobicContact CB-CG2 4.14Š|
| 380 | G | 89.4 | Confident | 86.1 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -7.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L378 V423 | L378-G380 PolarHBondContact O-N 3.24Å; G380-V423 VanDerWaalsContact CA-O 3.26Å; G380-V423 WeakPolarHBondContact CA-O 3.27Å |
| 381 | Y | 91.1 | Very high | 85.9 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | trans | -110.6 | 151.2 | 174.1 | -65.2 | -92.8 | 0 | 0 | 0 | 111.1 | H357 C377 L378 K410 A411 L425 W429 | H357-Y381 HydrophobicContact CB-CD1 3.84Å; H357-Y381 HydrophobicContact CB-CD2 3.92Å; H357-Y381 HydrophobicContact CB-CE1 3.75Å; H357-Y381 HydrophobicContact CB-CE2 3.82Å; H357-Y381 HydrophobicContact CB-CG 3.94Å; H357-Y381 AromaticContact CD2-CE1 3.7Å; H357-Y381 AromaticContact CD2-CZ 3.92Å; H357-Y381 AromaticContact CG-CE1 3.67Å; H357-Y381 AromaticContact CG-CZ 3.55Å; H357-Y381 AromaticContact ND1-CZ 3.84Å; C377-Y381 WeakPolarHBondContact CB-O 3.36Å; L378-Y381 HydrophobicContact CB-CD2 4.18Å; L378-Y381 WeakPolarHBondContact O-CB 3.39Å; L378-Y381 PolarHBondContact O-N 3.29Å; Y381-K410 WeakPolarHBondContact CA-O 3.05Å; Y381-A411 HydrophobicContact CD1-CB 4.39Å; Y381-A411 HydrophobicContact CE1-CB 4.3Å; Y381-L425 HydrophobicContact CD2-CD1 3.78Å; Y381-L425 HydrophobicContact CE1-CD1 4.22Å; Y381-L425 HydrophobicContact CE2-CD1 3.34Å; Y381-L425 HydrophobicContact CG-CD1 4.37Å; Y381-W429 WeakPolarHBondContact CE1-O 3.4Å; Y381-W429 PolarHBondContact OH-O 2.85Å | ||
| 382 | A | 89.2 | Confident | 85.8 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | C409 K410 M412 | A382-C409 WeakPolarHBondContact O-CA 3.03Å; A382-K410 PolarHBondContact N-O 2.56Å; A382-K410 PolarHBondContact O-N 2.83Å; A382-M412 HydrophobicContact CB-CG 3.71Å |
| 383 | L | 88.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.4 | 178.1 | -68.8 | 170 | 0 | 0 | 0 | 110.8 | F375 C377 P385 N390 P407 A408 | F375-L383 HydrophobicContact CB-CD2 4.14Å; C377-L383 WeakPolarHBondContact SG-CD2 3.11Å; C377-L383 PolarHBondContact SG-N 3.1Å; L383-P385 CarbonylContact O-C 3.54Å; L383-N390 HydrophobicContact CD1-CB 4.07Å; L383-P407 HydrophobicContact CD2-CB 3.93Å; L383-P407 HydrophobicContact CD2-CG 3.75Å; L383-A408 CarbonylContact C-O 3.56Å; L383-A408 WeakPolarHBondContact CA-O 2.96Å |
| 384 | E | 85.6 | Confident | 85.8 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.6 | 172 | -169.8 | -179.4 | -167 | 0 | 0 | 109.6 | A408 K410 | E384-A408 PolarHBondContact N-O 2.74Å; E384-A408 PolarHBondContact O-N 3.15Å; E384-K410 IonicContact OE1-NZ 3.42Å; E384-K410 WeakPolarHBondContact OE2-CD 3.4Å; E384-K410 WeakPolarHBondContact OE2-CE 3.44Å; E384-K410 IonicContact OE2-NZ 2.82Å; E384-K410 PolarHBondContact OE2-NZ 2.74Å |
| 385 | P | 78.7 | Confident | 85.8 | Confident | 101 Ų | 101 | 55.2 Ų | 55.2 | 66% | 0.656 | 35% | 0.347 | S | S | * | . | S | Bend | cis | -70.4 | 150.1 | 0.1 | 29 | -34.4 | 0 | 0 | 0 | 113.4 | L383 G387 | L383-P385 CarbonylContact O-C 3.54Å; P385-G387 PolarHBondContact O-N 3.16Å |
| 386 | P | 68.7 | Low | 85.7 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -71 | 103.8 | 177.7 | 26.9 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 387 | G | 64.8 | Low | 85.7 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 150.2 | 171.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P385 | P385-G387 PolarHBondContact O-N 3.16Š|
| 388 | P | 69.4 | Low | 85.5 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 78% | 0.779 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -68.7 | 149.9 | 169.3 | 28.2 | -31.8 | 0 | 0 | 0 | 111 | ||
| 389 | P | 68.6 | Low | 85.3 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | cis | -86.8 | 125.1 | 11 | 32.7 | -32.7 | 0 | 0 | 0 | 113.2 | A391 | P389-A391 WeakPolarHBondContact CB-O 3.42Å; P389-A391 PolarHBondContact O-N 2.71Å | ||
| 390 | N | 84.4 | Confident | 85.3 | Confident | 88 Ų | 88 | 65 Ų | 65 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | trans | -84.1 | 20.7 | 168 | 64.6 | -27.6 | 0 | 0 | 0 | 111.5 | T374 F375 L383 | T374-N390 WeakPolarHBondContact CA-O 2.99Å; F375-N390 WeakPolarHBondContact CD2-O 3.32Å; F375-N390 PolarHBondContact N-O 3.39Å; L383-N390 HydrophobicContact CD1-CB 4.07Å | ||
| 391 | A | 90.4 | Very high | 85.4 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 143.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L372 A373 T374 P389 | L372-A391 HydrophobicContact CD1-CB 3.9Å; L372-A391 HydrophobicContact CD2-CB 4.41Å; L372-A391 HydrophobicContact CG-CB 4.11Å; A373-A391 CarbonylContact O-C 3.58Å; A373-A391 WeakPolarHBondContact O-CA 3.31Å; A373-A391 WeakPolarHBondContact O-CB 3.34Å; T374-A391 HydrophobicContact CG2-CB 3.67Å; P389-A391 WeakPolarHBondContact CB-O 3.42Å; P389-A391 PolarHBondContact O-N 2.71Å |
| 392 | I | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 150.7 | 174.7 | 63.4 | 178.5 | 0 | 0 | 0 | 110.5 | P353 L372 A373 F375 W402 D404 E406 | P353-I392 HydrophobicContact CB-CD1 4.1Å; P353-I392 HydrophobicContact CG-CD1 4.47Å; L372-I392 CarbonylContact C-O 3.53Å; L372-I392 WeakPolarHBondContact CA-O 3.06Å; A373-I392 HydrophobicContact CB-CG1 3.97Å; A373-I392 PolarHBondContact N-O 2.7Å; A373-I392 PolarHBondContact O-N 2.79Å; F375-I392 HydrophobicContact CE2-CB 4.32Å; F375-I392 HydrophobicContact CE2-CD1 4.1Å; F375-I392 HydrophobicContact CE2-CG1 3.73Å; F375-I392 HydrophobicContact CE2-CG2 4Å; F375-I392 HydrophobicContact CZ-CD1 3.68Å; F375-I392 HydrophobicContact CZ-CG1 3.76Å; I392-W402 HydrophobicContact CB-CE3 4.06Å; I392-W402 HydrophobicContact CD1-CB 4.15Å; I392-W402 HydrophobicContact CD1-CD2 3.51Å; I392-W402 HydrophobicContact CD1-CE3 3.58Å; I392-W402 HydrophobicContact CD1-CG 3.77Å; I392-W402 HydrophobicContact CD1-CZ3 4.17Å; I392-W402 HydrophobicContact CG1-CD2 3.99Å; I392-W402 HydrophobicContact CG1-CE3 3.47Å; I392-W402 VanDerWaalsContact CG1-CE3 3.47Å; I392-W402 HydrophobicContact CG1-CZ3 3.78Å; I392-D404 HydrophobicContact CG2-CB 3.85Å; I392-E406 HydrophobicContact CD1-CG 4.15Å |
| 393 | E | 93.2 | Very high | 85.5 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.6 | -178.8 | -172.3 | -179.4 | 178.4 | 0 | 0 | 110.5 | A371 L372 V395 W402 N403 | A371-E393 WeakPolarHBondContact O-CA 3.41Å; L372-E393 HydrophobicContact CD1-CB 4.27Å; E393-V395 HydrophobicContact CB-CG1 4.33Å; E393-V395 HydrophobicContact CG-CG1 4.16Å; E393-V395 PolarHBondContact O-N 3.36Å; E393-W402 VanDerWaalsContact C-CE3 3.41Å; E393-N403 PolarHBondContact N-OD1 2.97Å; E393-N403 PolarHBondContact O-N 3.27Å; E393-N403 PolarHBondContact O-OD1 2.9Å |
| 394 | C | 94.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.4 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | C350 Y367 P369 G370 A371 W402 | C350-C394 HydrophobicContact CB-CB 3.83Å; C350-C394 WeakPolarHBondContact CB-SG 3.35Å; C350-C394 VanDerWaalsContact SG-CA 3.5Å; C350-C394 WeakPolarHBondContact SG-CB 3.34Å; C350-C394 CovalentContact SG-SG 2.04Å; C350-C394 PolarHBondContact SG-SG 2.88Å; Y367-C394 PolarHBondContact O-SG 3.2Å; Y367-C394 VanDerWaalsContact O-SG 3.35Å; P369-C394 CarbonylContact C-O 3.51Å; G370-C394 PolarHBondContact N-O 2.82Å; A371-C394 HydrophobicContact CB-CB 4.34Å; A371-C394 PolarHBondContact O-N 2.84Å; C394-W402 HydrophobicContact CB-CE3 4.08Å; C394-W402 HydrophobicContact CB-CH2 4.13Å; C394-W402 HydrophobicContact CB-CZ3 3.78Å; C394-W402 VanDerWaalsContact N-CZ3 3.29Å |
| 395 | V | 93.9 | Very high | 85.3 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 26% | 0.255 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 167.2 | -175.4 | -64.6 | 0 | 0 | 0 | 0 | 111 | E393 P400 H401 N403 | E393-V395 HydrophobicContact CB-CG1 4.33Å; E393-V395 HydrophobicContact CG-CG1 4.16Å; E393-V395 PolarHBondContact O-N 3.36Å; V395-P400 WeakPolarHBondContact O-CA 3.21Å; V395-H401 VanDerWaalsContact CG2-O 3.25Å; V395-H401 WeakPolarHBondContact CG2-O 3.21Å; V395-H401 PolarHBondContact N-O 3.32Å; V395-H401 PolarHBondContact O-N 3.04Å; V395-H401 VanDerWaalsContact O-N 3.08Å; V395-N403 HydrophobicContact CG1-CB 3.94Å; V395-N403 HydrophobicContact CG2-CB 4.02Å |
| 396 | D | 90.8 | Very high | 85.6 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | trans | 64.8 | 105 | 179.7 | -160.6 | -38 | 0 | 0 | 0 | 114.6 | T398 E399 P400 | D396-T398 PolarHBondContact O-N 3.29Å; D396-T398 WeakPolarHBondContact OD1-CA 3.29Å; D396-T398 WeakPolarHBondContact OD1-CB 3Å; D396-T398 PolarHBondContact OD1-N 3.05Å; D396-T398 PolarHBondContact OD1-OG1 2.92Å; D396-E399 WeakPolarHBondContact CB-O 3.45Å; D396-E399 CarbonylContact O-C 3.52Å; D396-E399 PolarHBondContact OD1-N 3.27Å; D396-P400 VanDerWaalsContact O-CA 3.23Å; D396-P400 WeakPolarHBondContact O-CA 3.4Å | ||
| 397 | P | 90.2 | Very high | 86.6 | Confident | 112 Ų | 112 | 59.4 Ų | 59.4 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.8 | -14.7 | 177.6 | -18.9 | 32.1 | 0 | 0 | 0 | 115.2 | P369 | P369-P397 HydrophobicContact CB-CB 4.47Š|
| 398 | T | 89.2 | Confident | 87.6 | Confident | 129 Ų | 129 | 59.2 Ų | 59.2 | 79% | 0.791 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -97.6 | -33.2 | -176.9 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | D396 | D396-T398 PolarHBondContact O-N 3.29Å; D396-T398 WeakPolarHBondContact OD1-CA 3.29Å; D396-T398 WeakPolarHBondContact OD1-CB 3Å; D396-T398 PolarHBondContact OD1-N 3.05Å; D396-T398 PolarHBondContact OD1-OG1 2.92Å |
| 399 | E | 88 | Confident | 88.5 | Confident | 131 Ų | 131 | 54 Ų | 54 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -137.8 | 79.9 | 173.3 | -172.5 | 169.8 | -162.5 | 0 | 0 | 109 | D396 H401 | D396-E399 WeakPolarHBondContact CB-O 3.45Å; D396-E399 CarbonylContact O-C 3.52Å; D396-E399 PolarHBondContact OD1-N 3.27Å; E399-H401 PolarHBondContact O-N 2.94Å; E399-H401 PolarHBondContact O-ND1 2.66Å |
| 400 | P | 91.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 14% | 0.143 | 30% | 0.301 | C | S | . | . | trans | -57.5 | 122.1 | -172.8 | -26.3 | 36.1 | 0 | 0 | 0 | 112.8 | P369 V395 D396 | P369-P400 HydrophobicContact CG-CB 4.19Å; P369-P400 HydrophobicContact CG-CG 3.93Å; V395-P400 WeakPolarHBondContact O-CA 3.21Å; D396-P400 VanDerWaalsContact O-CA 3.23Å; D396-P400 WeakPolarHBondContact O-CA 3.4Å | ||
| 401 | H | 90 | Very high | 89.8 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.3 | 176.7 | 62 | -83.6 | 0 | 0 | 0 | 111.9 | C350 V395 E399 | C350-H401 PolarHBondContact SG-N 3.31Å; V395-H401 VanDerWaalsContact CG2-O 3.25Å; V395-H401 WeakPolarHBondContact CG2-O 3.21Å; V395-H401 PolarHBondContact N-O 3.32Å; V395-H401 PolarHBondContact O-N 3.04Å; V395-H401 VanDerWaalsContact O-N 3.08Å; E399-H401 PolarHBondContact O-N 2.94Å; E399-H401 PolarHBondContact O-ND1 2.66Å |
| 402 | W | 91.1 | Very high | 89.7 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 134.4 | 174.2 | -65 | 115.9 | 0 | 0 | 0 | 111.2 | C350 F351 P353 Y367 A373 I392 E393 C394 D404 | C350-W402 HydrophobicContact CB-CD2 4Å; C350-W402 VanDerWaalsContact CB-CE2 3.46Å; C350-W402 HydrophobicContact CB-CG 4.48Å; C350-W402 HydrophobicContact CB-CH2 4.23Å; C350-W402 HydrophobicContact CB-CZ2 3.56Å; F351-W402 AromaticContact CD2-NE1 3.83Å; F351-W402 AromaticContact CE1-CD1 3.56Å; F351-W402 AromaticContact CE1-NE1 3.99Å; F351-W402 AromaticContact CE2-CD1 3.75Å; F351-W402 AromaticContact CE2-NE1 3.72Å; F351-W402 AromaticContact CZ-CD1 3.38Å; F351-W402 AromaticContact CZ-NE1 3.82Å; F351-W402 VanDerWaalsContact O-CZ2 3.27Å; F351-W402 WeakPolarHBondContact O-CZ2 3.13Å; F351-W402 PolarHBondContact O-NE1 2.86Å; P353-W402 HydrophobicContact CG-CZ2 4.13Å; Y367-W402 AromaticContact CD1-CH2 3.7Å; Y367-W402 HydrophobicContact CD1-CH2 3.7Å; Y367-W402 AromaticContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CE1-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CZ2 4.24Å; A373-W402 HydrophobicContact CB-CH2 3.96Å; A373-W402 HydrophobicContact CB-CZ3 4.17Å; I392-W402 HydrophobicContact CB-CE3 4.06Å; I392-W402 HydrophobicContact CD1-CB 4.15Å; I392-W402 HydrophobicContact CD1-CD2 3.51Å; I392-W402 HydrophobicContact CD1-CE3 3.58Å; I392-W402 HydrophobicContact CD1-CG 3.77Å; I392-W402 HydrophobicContact CD1-CZ3 4.17Å; I392-W402 HydrophobicContact CG1-CD2 3.99Å; I392-W402 HydrophobicContact CG1-CE3 3.47Å; I392-W402 VanDerWaalsContact CG1-CE3 3.47Å; I392-W402 HydrophobicContact CG1-CZ3 3.78Å; E393-W402 VanDerWaalsContact C-CE3 3.41Å; C394-W402 HydrophobicContact CB-CE3 4.08Å; C394-W402 HydrophobicContact CB-CH2 4.13Å; C394-W402 HydrophobicContact CB-CZ3 3.78Å; C394-W402 VanDerWaalsContact N-CZ3 3.29Å; W402-D404 VanDerWaalsContact C-N 3.29Å; W402-D404 WeakPolarHBondContact CB-O 3.32Å; W402-D404 PolarHBondContact O-N 3.32Å |
| 403 | N | 91.3 | Very high | 89.7 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -65.3 | -32.4 | 177.7 | 65.3 | -15.9 | 0 | 0 | 0 | 112.9 | R314 E393 V395 | R314-N403 PolarHBondContact NH2-O 2.85Å; E393-N403 PolarHBondContact N-OD1 2.97Å; E393-N403 PolarHBondContact O-N 3.27Å; E393-N403 PolarHBondContact O-OD1 2.9Å; V395-N403 HydrophobicContact CG1-CB 3.94Å; V395-N403 HydrophobicContact CG2-CB 4.02Å |
| 404 | D | 87.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.353 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -135.9 | 170.7 | -178.6 | -144 | -15.8 | 0 | 0 | 0 | 112.1 | I392 W402 | I392-D404 HydrophobicContact CG2-CB 3.85Å; W402-D404 VanDerWaalsContact C-N 3.29Å; W402-D404 WeakPolarHBondContact CB-O 3.32Å; W402-D404 PolarHBondContact O-N 3.32Å |
| 405 | T | 83.8 | Confident | 89.5 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 23% | 0.233 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 153.2 | 175 | 44.3 | 0 | 0 | 0 | 0 | 112 | E313 R314 | E313-T405 HydrophobicContact CB-CG2 4.19Å; R314-T405 HydrophobicContact CB-CG2 4.47Å; R314-T405 HydrophobicContact CG-CG2 3.23Å |
| 406 | E | 85.5 | Confident | 89.5 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 136 | 168.6 | -58.8 | 92.8 | 147.7 | 0 | 0 | 111.1 | F351 P353 F375 I392 | F351-E406 VanDerWaalsContact CE2-OE1 3.28Å; F351-E406 WeakPolarHBondContact CE2-OE1 2.98Å; P353-E406 HydrophobicContact CB-CG 3.55Å; F375-E406 HydrophobicContact CE1-CB 4.32Å; F375-E406 HydrophobicContact CE1-CG 4.15Å; F375-E406 HydrophobicContact CZ-CB 4.3Å; F375-E406 HydrophobicContact CZ-CG 4Å; I392-E406 HydrophobicContact CD1-CG 4.15Å |
| 407 | P | 88.2 | Confident | 89.6 | Confident | 21 Ų | 21 | 59 Ų | 59 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 160.1 | 173.9 | 31.1 | -35.1 | 0 | 0 | 0 | 111.2 | L355 F375 L383 | L355-P407 WeakPolarHBondContact CD1-O 3.4Å; F375-P407 HydrophobicContact CB-CG 3.76Å; F375-P407 HydrophobicContact CD1-CG 4.23Å; F375-P407 VanDerWaalsContact CD2-CD 3.49Å; F375-P407 HydrophobicContact CD2-CG 3.68Å; F375-P407 HydrophobicContact CE2-CG 4.35Å; F375-P407 HydrophobicContact CG-CG 3.62Å; L383-P407 HydrophobicContact CD2-CB 3.93Å; L383-P407 HydrophobicContact CD2-CG 3.75Å |
| 408 | A | 85.8 | Confident | 89.7 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L383 E384 | L383-A408 CarbonylContact C-O 3.56Å; L383-A408 WeakPolarHBondContact CA-O 2.96Å; E384-A408 PolarHBondContact N-O 2.74Å; E384-A408 PolarHBondContact O-N 3.15Å |
| 409 | C | 89.8 | Confident | 89.9 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114 | 167.5 | -71.9 | 0 | 0 | 0 | 0 | 109.8 | L355 A356 H357 C377 A382 | L355-C409 HydrophobicContact CD1-CB 4.49Å; A356-C409 WeakPolarHBondContact O-CB 3.46Å; H357-C409 HydrophobicContact CB-CB 4.41Å; C377-C409 WeakPolarHBondContact CA-SG 3.48Å; C377-C409 HydrophobicContact CB-CB 3.89Å; C377-C409 WeakPolarHBondContact CB-SG 3.2Å; C377-C409 VanDerWaalsContact SG-CA 3.59Å; C377-C409 WeakPolarHBondContact SG-CB 3.38Å; C377-C409 CovalentContact SG-SG 2.04Å; C377-C409 PolarHBondContact SG-SG 3.07Å; A382-C409 WeakPolarHBondContact O-CA 3.03Å |
| 410 | K | 88.5 | Confident | 90.1 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.8 | 177.8 | -64.3 | -159.2 | -166.5 | 149.7 | 0 | 112.3 | Y381 A382 E384 M412 | Y381-K410 WeakPolarHBondContact CA-O 3.05Å; A382-K410 PolarHBondContact N-O 2.56Å; A382-K410 PolarHBondContact O-N 2.83Å; E384-K410 IonicContact OE1-NZ 3.42Å; E384-K410 WeakPolarHBondContact OE2-CD 3.4Å; E384-K410 WeakPolarHBondContact OE2-CE 3.44Å; E384-K410 IonicContact OE2-NZ 2.82Å; E384-K410 PolarHBondContact OE2-NZ 2.74Å; K410-M412 PolarHBondContact O-N 3.15Å |
| 411 | A | 91.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | trans | -76 | 108.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y381 L425 S426 D428 W429 | Y381-A411 HydrophobicContact CD1-CB 4.39Å; Y381-A411 HydrophobicContact CE1-CB 4.3Å; A411-L425 HydrophobicContact CB-CB 3.9Å; A411-L425 HydrophobicContact CB-CD1 4.25Å; A411-S426 WeakPolarHBondContact CB-O 3.22Å; A411-D428 PolarHBondContact O-N 2.96Å; A411-W429 HydrophobicContact CB-CB 4.21Å | ||
| 412 | M | 88.6 | Confident | 90.5 | Very high | 76 Ų | 76 | 53 Ų | 53 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -78.5 | 146 | -171.8 | -59.4 | -64.4 | -83.8 | 0 | 0 | 112.2 | A382 K410 G414 W441 | A382-M412 HydrophobicContact CB-CG 3.71Å; K410-M412 PolarHBondContact O-N 3.15Å; M412-G414 PolarHBondContact O-N 2.92Å; M412-W441 WeakPolarHBondContact O-CZ2 3.44Å; M412-W441 PolarHBondContact O-NE1 3.39Å | ||
| 413 | C | 91.8 | Very high | 90.7 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -78.3 | 97.2 | 169.6 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | P427 Q437 C439 | C413-P427 HydrophobicContact CB-CB 4.44Å; C413-P427 HydrophobicContact CB-CG 4.05Å; C413-Q437 PolarHBondContact SG-OE1 3.27Å; C413-Q437 VanDerWaalsContact SG-OE1 3.39Å; C413-C439 VanDerWaalsContact CA-SG 3.55Å; C413-C439 HydrophobicContact CB-CB 4.07Å; C413-C439 WeakPolarHBondContact CB-SG 3.43Å; C413-C439 WeakPolarHBondContact SG-CA 3.4Å; C413-C439 WeakPolarHBondContact SG-CB 3.48Å; C413-C439 CovalentContact SG-SG 2.03Å; C413-C439 PolarHBondContact SG-SG 3.2Å |
| 414 | G | 91.6 | Very high | 90.9 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 84.2 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M412 V440 W441 | M412-G414 PolarHBondContact O-N 2.92Å; G414-V440 CarbonylContact C-O 3.58Å; G414-V440 WeakPolarHBondContact CA-O 3.25Å; G414-W441 VanDerWaalsContact N-CE2 3.26Å |
| 415 | G | 91.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.7 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V440 W441 G442 | G415-V440 PolarHBondContact N-O 2.8Å; G415-W441 CarbonylContact O-C 3.43Å; G415-W441 VanDerWaalsContact O-CA 3.25Å; G415-W441 WeakPolarHBondContact O-CA 3.38Å; G415-G442 PolarHBondContact O-N 3Å |
| 416 | E | 92.9 | Very high | 91.6 | Very high | 145 Ų | 145 | 45.8 Ų | 45.8 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.8 | 177.6 | -69.9 | -61.7 | 152.5 | 0 | 0 | 110.5 | G442 | E416-G442 CarbonylContact C-O 3.55Å; E416-G442 WeakPolarHBondContact CA-O 3.48Å; E416-G442 WeakPolarHBondContact OE2-CA 3.04Å |
| 417 | L | 93.1 | Very high | 91.8 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.3 | -175.9 | -60.7 | 172.4 | 0 | 0 | 0 | 109.1 | V424 G442 V443 H444 F521 | L417-V424 HydrophobicContact CD1-CG2 3.56Å; L417-G442 PolarHBondContact N-O 3.13Å; L417-V443 HydrophobicContact CB-CG2 4.36Å; L417-V443 HydrophobicContact CD1-CG2 4.18Å; L417-V443 WeakPolarHBondContact O-CA 3.26Å; L417-H444 PolarHBondContact O-N 3.15Å; L417-F521 HydrophobicContact CB-CZ 4.13Å; L417-F521 HydrophobicContact CD1-CE1 3.98Å; L417-F521 HydrophobicContact CD1-CZ 4.43Å |
| 418 | S | 93.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 63% | 0.629 | 28% | 0.282 | S | S | * | . | trans | -115.1 | 7.4 | -176.7 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | H444 | S418-H444 CarbonylContact C-O 3.57Å; S418-H444 VanDerWaalsContact CA-O 3.3Å; S418-H444 WeakPolarHBondContact CA-O 3.47Å | ||
| 419 | E | 92.4 | Very high | 91.6 | Very high | 121 Ų | 121 | 46.2 Ų | 46.2 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -75.3 | 151 | -178.4 | -65.9 | -60.3 | 148.3 | 0 | 0 | 111.8 | A421 F521 | E419-A421 PolarHBondContact O-N 3.42Å; E419-F521 WeakPolarHBondContact O-CE2 3.35Å |
| 420 | P | 93.1 | Very high | 91.1 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -67 | -22 | 178.3 | 27.8 | -35.2 | 0 | 0 | 0 | 112.5 | K522 E523 | P420-K522 CarbonylContact O-C 3.53Å; P420-K522 WeakPolarHBondContact O-CA 3.48Å; P420-E523 HydrophobicContact CB-CG 3.95Å; P420-E523 WeakPolarHBondContact O-CG 3.49Å; P420-E523 PolarHBondContact O-N 3.3Å |
| 421 | A | 95.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 151.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | E419 F521 K522 | E419-A421 PolarHBondContact O-N 3.42Å; A421-F521 CarbonylContact C-O 3.57Å; A421-F521 VanDerWaalsContact CA-O 3.25Å; A421-F521 WeakPolarHBondContact CA-O 3.49Å; A421-F521 WeakPolarHBondContact CB-O 3.49Å; A421-K522 HydrophobicContact CB-CB 3.85Å |
| 422 | G | 94 | Very high | 89.9 | Confident | 18 Ų | 18 | 47 Ų | 47 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | -171.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H520 F521 | G422-H520 WeakPolarHBondContact O-CA 3.06Å; G422-F521 VanDerWaalsContact C-CD1 3.46Å; G422-F521 PolarHBondContact N-O 3.45Å; G422-F521 WeakPolarHBondContact O-CD1 3.48Å; G422-F521 PolarHBondContact O-N 3.08Å |
| 423 | V | 95.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.6 | -177.7 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | P379 G380 L425 V518 L519 H520 | P379-V423 HydrophobicContact CB-CG2 4.14Å; G380-V423 VanDerWaalsContact CA-O 3.26Å; G380-V423 WeakPolarHBondContact CA-O 3.27Å; V423-L425 HydrophobicContact CG1-CD2 3.64Å; V423-L425 HydrophobicContact CG1-CG 4.16Å; V423-V518 HydrophobicContact CG1-CG1 3.95Å; V423-L519 CarbonylContact C-O 3.46Å; V423-L519 VanDerWaalsContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CG1-O 3.49Å; V423-H520 VanDerWaalsContact CG2-CE1 3.48Å; V423-H520 WeakPolarHBondContact CG2-CE1 3.41Å; V423-H520 WeakPolarHBondContact CG2-ND1 3.37Å |
| 424 | V | 95.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.6 | 170.8 | -171.4 | 0 | 0 | 0 | 0 | 107.8 | L417 W441 L500 F517 L519 F521 | L417-V424 HydrophobicContact CD1-CG2 3.56Å; V424-W441 HydrophobicContact CG1-CD2 3.74Å; V424-W441 HydrophobicContact CG1-CE3 4.29Å; V424-W441 HydrophobicContact CG1-CG 3.84Å; V424-W441 HydrophobicContact CG1-CZ2 4.39Å; V424-L500 HydrophobicContact CB-CD1 4.03Å; V424-L500 HydrophobicContact CG1-CD1 3.94Å; V424-L500 HydrophobicContact CG2-CD1 3.68Å; V424-F517 HydrophobicContact CG1-CE2 4.28Å; V424-L519 HydrophobicContact CB-CB 4.27Å; V424-L519 HydrophobicContact CB-CD1 4.44Å; V424-L519 PolarHBondContact N-O 2.88Å; V424-L519 PolarHBondContact O-N 3.37Å; V424-F521 HydrophobicContact CG2-CD1 4.15Å; V424-F521 HydrophobicContact CG2-CE1 4.26Å |
| 425 | L | 93.6 | Very high | 88.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 152.1 | -177.4 | -58.3 | 176.4 | 0 | 0 | 0 | 109.4 | Y381 A411 V423 W429 V518 | Y381-L425 HydrophobicContact CD2-CD1 3.78Å; Y381-L425 HydrophobicContact CE1-CD1 4.22Å; Y381-L425 HydrophobicContact CE2-CD1 3.34Å; Y381-L425 HydrophobicContact CG-CD1 4.37Å; A411-L425 HydrophobicContact CB-CB 3.9Å; A411-L425 HydrophobicContact CB-CD1 4.25Å; V423-L425 HydrophobicContact CG1-CD2 3.64Å; V423-L425 HydrophobicContact CG1-CG 4.16Å; L425-W429 HydrophobicContact CB-CB 3.95Å; L425-W429 HydrophobicContact CB-CG 4.3Å; L425-W429 HydrophobicContact CD2-CG 4.28Å; L425-V518 HydrophobicContact CD2-CB 4.29Å; L425-V518 HydrophobicContact CD2-CG1 3.9Å; L425-V518 HydrophobicContact CD2-CG2 3.91Å |
| 426 | S | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -62.4 | 151.9 | 165.3 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | A411 D428 W429 G516 F517 | A411-S426 WeakPolarHBondContact CB-O 3.22Å; S426-D428 PolarHBondContact O-N 3.19Å; S426-W429 VanDerWaalsContact O-CB 3.23Å; S426-W429 WeakPolarHBondContact O-CB 3.5Å; S426-W429 PolarHBondContact O-N 3.46Å; S426-W429 VanDerWaalsContact O-N 3.15Å; S426-G516 VanDerWaalsContact OG-CA 3.31Å; S426-G516 WeakPolarHBondContact OG-CA 3.23Å; S426-F517 PolarHBondContact N-O 2.9Å; S426-F517 PolarHBondContact OG-N 2.61Å | ||
| 427 | P | 90.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 139.4 | 175.5 | -25.2 | 34 | 0 | 0 | 0 | 111.4 | C413 W429 Y433 C439 | C413-P427 HydrophobicContact CB-CB 4.44Å; C413-P427 HydrophobicContact CB-CG 4.05Å; P427-W429 PolarHBondContact O-N 3.04Å; P427-W429 VanDerWaalsContact O-N 3.13Å; P427-Y433 WeakPolarHBondContact O-CA 3.42Å; P427-Y433 WeakPolarHBondContact O-CB 3.46Å; P427-C439 WeakPolarHBondContact CG-SG 3.08Å |
| 428 | D | 84.2 | Confident | 88.4 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 8 | 178.8 | -50.2 | -51.3 | 0 | 0 | 0 | 116.2 | A411 S426 Q431 | A411-D428 PolarHBondContact O-N 2.96Å; S426-D428 PolarHBondContact O-N 3.19Å; D428-Q431 HydrophobicContact CB-CB 4.32Å; D428-Q431 WeakPolarHBondContact O-CA 3.31Å; D428-Q431 WeakPolarHBondContact O-CB 3.47Å; D428-Q431 PolarHBondContact O-N 3.29Å |
| 429 | W | 86.3 | Confident | 88.4 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132.8 | 178.6 | -176.6 | -91.2 | 0 | 0 | 0 | 112.1 | Y381 A411 L425 S426 P427 I457 V518 | Y381-W429 WeakPolarHBondContact CE1-O 3.4Å; Y381-W429 PolarHBondContact OH-O 2.85Å; A411-W429 HydrophobicContact CB-CB 4.21Å; L425-W429 HydrophobicContact CB-CB 3.95Å; L425-W429 HydrophobicContact CB-CG 4.3Å; L425-W429 HydrophobicContact CD2-CG 4.28Å; S426-W429 VanDerWaalsContact O-CB 3.23Å; S426-W429 WeakPolarHBondContact O-CB 3.5Å; S426-W429 PolarHBondContact O-N 3.46Å; S426-W429 VanDerWaalsContact O-N 3.15Å; P427-W429 PolarHBondContact O-N 3.04Å; P427-W429 VanDerWaalsContact O-N 3.13Å; W429-I457 HydrophobicContact CH2-CD1 4Å; W429-I457 HydrophobicContact CH2-CG2 4.09Å; W429-I457 HydrophobicContact CZ2-CD1 3.94Å; W429-V518 HydrophobicContact CD2-CG2 4.05Å; W429-V518 VanDerWaalsContact CE2-CG2 3.45Å; W429-V518 HydrophobicContact CE3-CG2 4.49Å; W429-V518 HydrophobicContact CH2-CG2 3.9Å; W429-V518 HydrophobicContact CZ2-CG2 3.38Å; W429-V518 HydrophobicContact CZ3-CG2 4.42Å |
| 430 | P | 79 | Confident | 88.6 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.6 | 3.3 | 14.2 | 35.3 | -38.1 | 0 | 0 | 0 | 115.8 | H357 G514 | H357-P430 WeakPolarHBondContact NE2-CD 3.35Å; P430-G514 PolarHBondContact O-N 3.24Å |
| 431 | Q | 76.8 | Confident | 88.8 | Confident | 61 Ų | 61 | 33.4 Ų | 33.4 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -71.7 | 163.6 | 173.6 | -49.3 | -56.1 | -15.9 | 0 | 0 | 111.3 | D428 Y433 | D428-Q431 HydrophobicContact CB-CB 4.32Å; D428-Q431 WeakPolarHBondContact O-CA 3.31Å; D428-Q431 WeakPolarHBondContact O-CB 3.47Å; D428-Q431 PolarHBondContact O-N 3.29Å; Q431-Y433 PolarHBondContact O-N 2.95Å |
| 432 | S | 77.6 | Confident | 88.8 | Confident | 23 Ų | 23 | 30.9 Ų | 30.9 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 131.7 | 168.9 | -79.8 | 0 | 0 | 0 | 0 | 110 | N510 G512 Q515 | S432-N510 WeakPolarHBondContact CB-O 3.49Å; S432-N510 PolarHBondContact OG-O 2.88Å; S432-G512 PolarHBondContact OG-O 2.79Å; S432-Q515 WeakPolarHBondContact OG-CB 3.3Å |
| 433 | Y | 85.6 | Confident | 88.9 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -63 | 144.6 | 170.3 | 56.5 | -91.1 | 0 | 0 | 0 | 110.7 | P427 Q431 R461 D464 F502 A504 | P427-Y433 WeakPolarHBondContact O-CA 3.42Å; P427-Y433 WeakPolarHBondContact O-CB 3.46Å; Q431-Y433 PolarHBondContact O-N 2.95Å; Y433-R461 WeakPolarHBondContact OH-CB 3.4Å; Y433-R461 PolarHBondContact OH-N 3.06Å; Y433-D464 WeakPolarHBondContact CE2-OD2 3.32Å; Y433-D464 PolarHBondContact OH-OD2 2.78Å; Y433-F502 HydrophobicContact CD1-CE1 4.46Å; Y433-F502 HydrophobicContact CD1-CZ 4.28Å; Y433-F502 AromaticContact CD2-CE1 3.77Å; Y433-F502 HydrophobicContact CD2-CE1 3.77Å; Y433-F502 AromaticContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CE1-CZ 4.06Å; Y433-F502 HydrophobicContact CE2-CE1 4.02Å; Y433-F502 AromaticContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CG-CE1 4Å; Y433-F502 HydrophobicContact CG-CZ 4.16Å; Y433-F502 AromaticContact CZ-CZ 3.69Å; Y433-A504 HydrophobicContact CD2-CB 4.2Å; Y433-A504 HydrophobicContact CE2-CB 3.93Å |
| 434 | S | 82.7 | Confident | 88.9 | Confident | 56 Ų | 56 | 32.3 Ų | 32.3 | 39% | 0.392 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 150.8 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | Q437 | S434-Q437 WeakPolarHBondContact O-CG 2.96Š|
| 435 | P | 82.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 29% | 0.292 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 153.4 | 174.2 | 29.7 | -34.4 | 0 | 0 | 0 | 111.6 | G507 | P435-G507 WeakPolarHBondContact CB-O 3.49Å; P435-G507 WeakPolarHBondContact CG-O 3.25Å |
| 436 | G | 85.7 | Confident | 88.8 | Confident | 47 Ų | 47 | 37.2 Ų | 37.2 | 49% | 0.485 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 17.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A504 P505 | G436-A504 CarbonylContact C-O 3.59Å; G436-A504 VanDerWaalsContact C-O 3.3Å; G436-A504 WeakPolarHBondContact CA-O 3.45Å; G436-A504 PolarHBondContact N-O 2.92Å; G436-P505 PolarHBondContact N-O 3.4Å |
| 437 | Q | 88.7 | Confident | 88.6 | Confident | 48 Ų | 48 | 43 Ų | 43 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | trans | -81.6 | 138.5 | -179.4 | -64.4 | -73.8 | -1.8 | 0 | 0 | 111.9 | C413 S434 A504 | C413-Q437 PolarHBondContact SG-OE1 3.27Å; C413-Q437 VanDerWaalsContact SG-OE1 3.39Å; S434-Q437 WeakPolarHBondContact O-CG 2.96Å; Q437-A504 HydrophobicContact CB-CB 4.24Å; Q437-A504 PolarHBondContact N-O 3.25Å; Q437-A504 VanDerWaalsContact N-O 3.16Å; Q437-A504 PolarHBondContact O-N 2.81Å | ||
| 438 | D | 92.8 | Very high | 88.1 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 90.8 | 167.9 | -172.2 | 11.7 | 0 | 0 | 0 | 108.3 | Q501 F502 Q503 | D438-Q501 PolarHBondContact OD1-NE2 3.49Å; D438-F502 CarbonylContact C-O 3.6Å; D438-F502 WeakPolarHBondContact CA-O 3.41Å; D438-Q503 WeakPolarHBondContact OD1-CG 3.37Å |
| 439 | C | 94.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.1 | -172.5 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | C413 P427 W441 Q501 F502 | C413-C439 VanDerWaalsContact CA-SG 3.55Å; C413-C439 HydrophobicContact CB-CB 4.07Å; C413-C439 WeakPolarHBondContact CB-SG 3.43Å; C413-C439 WeakPolarHBondContact SG-CA 3.4Å; C413-C439 WeakPolarHBondContact SG-CB 3.48Å; C413-C439 CovalentContact SG-SG 2.03Å; C413-C439 PolarHBondContact SG-SG 3.2Å; P427-C439 WeakPolarHBondContact CG-SG 3.08Å; C439-W441 HydrophobicContact CB-CE3 4.18Å; C439-W441 HydrophobicContact CB-CH2 3.18Å; C439-W441 HydrophobicContact CB-CZ2 3.81Å; C439-W441 HydrophobicContact CB-CZ3 3.4Å; C439-W441 VanDerWaalsContact CB-CZ3 3.4Å; C439-Q501 CarbonylContact O-C 3.54Å; C439-Q501 VanDerWaalsContact O-CA 3.32Å; C439-Q501 WeakPolarHBondContact O-CA 3.4Å; C439-F502 HydrophobicContact CB-CB 4.41Å; C439-F502 PolarHBondContact N-O 3.39Å; C439-F502 PolarHBondContact O-N 2.03Å |
| 440 | V | 95.9 | Very high | 88.4 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.8 | 177.8 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | G414 G415 T499 L500 Q501 | G414-V440 CarbonylContact C-O 3.58Å; G414-V440 WeakPolarHBondContact CA-O 3.25Å; G415-V440 PolarHBondContact N-O 2.8Å; V440-T499 HydrophobicContact CG1-CG2 3.78Å; V440-L500 CarbonylContact C-O 3.51Å; V440-L500 WeakPolarHBondContact CA-O 3.35Å; V440-Q501 HydrophobicContact CG2-CB 4.46Å; V440-Q501 HydrophobicContact CG2-CG 4.05Å |
| 441 | W | 96.3 | Very high | 89.1 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | 172.5 | -59.5 | -95.9 | 0 | 0 | 0 | 110.2 | M412 G414 G415 V424 C439 T499 L500 F502 F517 | M412-W441 WeakPolarHBondContact O-CZ2 3.44Å; M412-W441 PolarHBondContact O-NE1 3.39Å; G414-W441 VanDerWaalsContact N-CE2 3.26Å; G415-W441 CarbonylContact O-C 3.43Å; G415-W441 VanDerWaalsContact O-CA 3.25Å; G415-W441 WeakPolarHBondContact O-CA 3.38Å; V424-W441 HydrophobicContact CG1-CD2 3.74Å; V424-W441 HydrophobicContact CG1-CE3 4.29Å; V424-W441 HydrophobicContact CG1-CG 3.84Å; V424-W441 HydrophobicContact CG1-CZ2 4.39Å; C439-W441 HydrophobicContact CB-CE3 4.18Å; C439-W441 HydrophobicContact CB-CH2 3.18Å; C439-W441 HydrophobicContact CB-CZ2 3.81Å; C439-W441 HydrophobicContact CB-CZ3 3.4Å; C439-W441 VanDerWaalsContact CB-CZ3 3.4Å; W441-T499 WeakPolarHBondContact O-CA 3.03Å; W441-L500 HydrophobicContact CB-CB 4.24Å; W441-L500 HydrophobicContact CB-CD1 4.24Å; W441-L500 HydrophobicContact CB-CG 4.47Å; W441-L500 HydrophobicContact CE3-CB 4.2Å; W441-L500 PolarHBondContact N-O 2.84Å; W441-L500 PolarHBondContact O-N 3.47Å; W441-F502 HydrophobicContact CH2-CB 4.12Å; W441-F502 HydrophobicContact CZ3-CB 3.69Å; W441-F517 HydrophobicContact CH2-CE2 4.46Å; W441-F517 AromaticContact CH2-CZ 3.72Å; W441-F517 HydrophobicContact CH2-CZ 3.72Å; W441-F517 AromaticContact CZ3-CZ 3.92Å; W441-F517 HydrophobicContact CZ3-CZ 3.92Å |
| 442 | G | 96.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G415 E416 L417 | G415-G442 PolarHBondContact O-N 3Å; E416-G442 CarbonylContact C-O 3.55Å; E416-G442 WeakPolarHBondContact CA-O 3.48Å; E416-G442 WeakPolarHBondContact OE2-CA 3.04Å; L417-G442 PolarHBondContact N-O 3.13Å |
| 443 | V | 96.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.3 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | L417 I451 D497 L498 L500 F521 | L417-V443 HydrophobicContact CB-CG2 4.36Å; L417-V443 HydrophobicContact CD1-CG2 4.18Å; L417-V443 WeakPolarHBondContact O-CA 3.26Å; V443-I451 HydrophobicContact CB-CD1 4.09Å; V443-I451 HydrophobicContact CG1-CD1 3.75Å; V443-I451 WeakPolarHBondContact O-CD1 3.44Å; V443-D497 WeakPolarHBondContact O-CA 3.19Å; V443-L498 HydrophobicContact CB-CB 4.35Å; V443-L498 WeakPolarHBondContact CB-O 3.36Å; V443-L498 PolarHBondContact N-O 2.83Å; V443-L498 PolarHBondContact O-N 2.84Å; V443-L500 HydrophobicContact CG2-CD1 4.22Å; V443-F521 HydrophobicContact CG1-CD2 3.6Å; V443-F521 HydrophobicContact CG1-CE1 4.48Å; V443-F521 HydrophobicContact CG1-CE2 3.57Å; V443-F521 HydrophobicContact CG1-CG 4.08Å; V443-F521 HydrophobicContact CG1-CZ 4.04Å |
| 444 | H | 95.8 | Very high | 91.1 | Very high | 68 Ų | 68 | 47 Ų | 47 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.7 | 178.6 | 178.8 | 75.1 | 0 | 0 | 0 | 109.6 | L417 S418 E447 D497 | L417-H444 PolarHBondContact O-N 3.15Å; S418-H444 CarbonylContact C-O 3.57Å; S418-H444 VanDerWaalsContact CA-O 3.3Å; S418-H444 WeakPolarHBondContact CA-O 3.47Å; H444-E447 IonicContact CE1-OE1 3.2Å; H444-D497 IonicContact CE1-OD1 3.98Å; H444-D497 IonicContact CG-OD1 3.47Å; H444-D497 IonicContact ND1-OD1 3.1Å; H444-D497 PolarHBondContact ND1-OD1 3.01Å |
| 445 | V | 94.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | trans | -116.2 | -178.9 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | E447 K449 I451 P496 E523 | V445-E447 PolarHBondContact O-N 2.73Å; V445-K449 HydrophobicContact CG2-CB 3.99Å; V445-I451 HydrophobicContact CB-CG1 4.29Å; V445-I451 HydrophobicContact CG1-CD1 4.16Å; V445-I451 HydrophobicContact CG1-CG1 3.78Å; V445-I451 HydrophobicContact CG2-CD1 4.14Å; V445-I451 HydrophobicContact CG2-CG1 3.53Å; V445-P496 HydrophobicContact CG2-CB 4.17Å; V445-P496 WeakPolarHBondContact CG2-O 3.17Å; V445-P496 PolarHBondContact N-O 2.83Å; V445-P496 WeakPolarHBondContact O-CB 3.02Å; V445-E523 HydrophobicContact CB-CB 4.22Å; V445-E523 HydrophobicContact CG1-CB 4.17Å; V445-E523 HydrophobicContact CG2-CB 4.46Å | ||
| 446 | Q | 92.1 | Very high | 91.8 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 51% | 0.514 | 23% | 0.231 | S | C | . | . | trans | -54.6 | 140.9 | 178.3 | -62.9 | 175.8 | 18.5 | 0 | 0 | 112.4 | E448 K449 P496 | Q446-E448 PolarHBondContact O-N 2.88Å; Q446-K449 HydrophobicContact CB-CG 3.89Å; Q446-K449 WeakPolarHBondContact O-CB 3.23Å; Q446-K449 PolarHBondContact O-N 2.89Å; Q446-P496 WeakPolarHBondContact O-CB 3.44Å | ||
| 447 | E | 86.1 | Confident | 91.8 | Very high | 122 Ų | 122 | 46.2 Ų | 46.2 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -32.8 | -173.6 | -67.4 | -70.9 | 167.4 | 0 | 0 | 114.8 | H444 V445 | H444-E447 IonicContact CE1-OE1 3.2Å; V445-E447 PolarHBondContact O-N 2.73Å |
| 448 | E | 80.7 | Confident | 91.8 | Very high | 140 Ų | 140 | 44.3 Ų | 44.3 | 65% | 0.654 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.6 | -179.7 | -60.5 | 74.9 | -160.3 | 0 | 0 | 114.3 | Q446 | Q446-E448 PolarHBondContact O-N 2.88Š|
| 449 | K | 86.5 | Confident | 91.4 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 27% | 0.274 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 169.2 | -177.9 | -56.6 | -61.5 | -175.7 | -175.7 | 0 | 111.6 | V445 Q446 G495 E523 | V445-K449 HydrophobicContact CG2-CB 3.99Å; Q446-K449 HydrophobicContact CB-CG 3.89Å; Q446-K449 WeakPolarHBondContact O-CB 3.23Å; Q446-K449 PolarHBondContact O-N 2.89Å; K449-G495 CarbonylContact O-C 3.57Å; K449-E523 HydrophobicContact CB-CB 4.31Å |
| 450 | R | 89.9 | Confident | 90.9 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 161.8 | 168.3 | -73.6 | 177.4 | 174.4 | 155.1 | 11.8 | 108.8 | L492 S493 S494 E523 V524 R526 D528 | R450-L492 HydrophobicContact CB-CD1 4.31Å; R450-S493 WeakPolarHBondContact CD-O 3.35Å; R450-S493 WeakPolarHBondContact CG-O 3.35Å; R450-S494 PolarHBondContact NE-O 3.06Å; R450-E523 CarbonylContact O-C 3.46Å; R450-E523 WeakPolarHBondContact O-CA 3.39Å; R450-V524 HydrophobicContact CB-CG2 3.97Å; R450-V524 PolarHBondContact N-O 2.92Å; R450-V524 WeakPolarHBondContact O-CG2 3.06Å; R450-V524 PolarHBondContact O-N 3.07Å; R450-R526 HydrophobicContact CG-CB 4.39Å; R450-R526 HydrophobicContact CG-CG 3.96Å; R450-R526 VanDerWaalsContact CZ-CG 3.44Å; R450-R526 VanDerWaalsContact NE-CG 3.31Å; R450-D528 IonicContact CZ-OD1 3.49Å; R450-D528 IonicContact NH1-OD1 3.79Å; R450-D528 PolarHBondContact NH1-OD1 3.25Å; R450-D528 IonicContact NH2-OD1 2.68Å; R450-D528 PolarHBondContact NH2-OD1 3.15Å; R450-D528 IonicContact NH2-OD2 3.64Å; R450-D528 PolarHBondContact NH2-OD2 3.19Å; R450-D528 VanDerWaalsContact NH2-OD2 3.07Å |
| 451 | I | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.9 | 177.3 | -58.4 | 169.8 | 0 | 0 | 0 | 108.4 | V443 V445 L492 S493 P496 L498 F521 | V443-I451 HydrophobicContact CB-CD1 4.09Å; V443-I451 HydrophobicContact CG1-CD1 3.75Å; V443-I451 WeakPolarHBondContact O-CD1 3.44Å; V445-I451 HydrophobicContact CB-CG1 4.29Å; V445-I451 HydrophobicContact CG1-CD1 4.16Å; V445-I451 HydrophobicContact CG1-CG1 3.78Å; V445-I451 HydrophobicContact CG2-CD1 4.14Å; V445-I451 HydrophobicContact CG2-CG1 3.53Å; I451-L492 WeakPolarHBondContact O-CA 3.4Å; I451-S493 PolarHBondContact N-OG 3.48Å; I451-S493 PolarHBondContact O-N 3.43Å; I451-S493 PolarHBondContact O-OG 3.25Å; I451-P496 WeakPolarHBondContact CD1-O 3.02Å; I451-L498 HydrophobicContact CB-CB 4.47Å; I451-L498 HydrophobicContact CB-CD2 4.45Å; I451-L498 HydrophobicContact CD1-CB 3.54Å; I451-L498 HydrophobicContact CG2-CD2 3.87Å; I451-F521 HydrophobicContact CG2-CB 3.94Å; I451-F521 HydrophobicContact CG2-CD2 4.49Å |
| 452 | L | 93.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.8 | 165 | -178.4 | 75.7 | 0 | 0 | 0 | 108.6 | R490 L492 F521 K522 V524 | L452-R490 HydrophobicContact CD1-CB 4.24Å; L452-L492 HydrophobicContact CB-CD1 4.28Å; L452-L492 HydrophobicContact CD1-CD1 4.13Å; L452-F521 WeakPolarHBondContact O-CA 3.26Å; L452-K522 HydrophobicContact CB-CG 4.18Å; L452-K522 VanDerWaalsContact CD2-CE 3.43Å; L452-K522 HydrophobicContact CD2-CG 4.39Å; L452-K522 PolarHBondContact N-O 2.9Å; L452-K522 PolarHBondContact O-N 3.22Å; L452-V524 HydrophobicContact CB-CG1 3.68Å; L452-V524 HydrophobicContact CB-CG2 4Å; L452-V524 HydrophobicContact CD2-CG1 4.32Å |
| 453 | L | 94.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.2 | 173.3 | -168.9 | 77.6 | 0 | 0 | 0 | 110 | L468 R490 L491 L498 L500 L519 H520 F521 | L453-L468 HydrophobicContact CD2-CD1 3.69Å; L453-L468 HydrophobicContact CD2-CD2 3.75Å; L453-L468 HydrophobicContact CD2-CG 4.38Å; L453-R490 CarbonylContact O-C 3.48Å; L453-R490 WeakPolarHBondContact O-CA 3.46Å; L453-L491 HydrophobicContact CB-CB 4.45Å; L453-L491 PolarHBondContact N-O 2.89Å; L453-L491 PolarHBondContact O-N 2.82Å; L453-L498 HydrophobicContact CB-CD2 4.19Å; L453-L498 HydrophobicContact CD1-CD2 4.22Å; L453-L498 HydrophobicContact CD2-CD2 4.3Å; L453-L498 HydrophobicContact CG-CD2 4.47Å; L453-L500 HydrophobicContact CD2-CD2 4.06Å; L453-L519 HydrophobicContact CD1-CB 4.07Å; L453-H520 CarbonylContact C-O 3.58Å; L453-H520 WeakPolarHBondContact CA-O 3.25Å; L453-F521 HydrophobicContact CD1-CB 3.85Å |
| 454 | Q | 93.1 | Very high | 88.2 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.9 | 174.8 | -177.4 | 174.2 | -57.6 | 0 | 0 | 109.6 | E456 R490 H520 | Q454-E456 PolarHBondContact O-N 3.39Å; Q454-R490 HydrophobicContact CB-CG 4.31Å; Q454-R490 HydrophobicContact CG-CG 4.14Å; Q454-H520 HydrophobicContact CB-CB 4.45Å; Q454-H520 PolarHBondContact N-O 2.93Å; Q454-H520 PolarHBondContact O-N 3.47Å |
| 455 | V | 91.6 | Very high | 88 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112.3 | 172.2 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | L458 L482 R488 R489 L519 | V455-L458 HydrophobicContact CG1-CB 3.83Å; V455-L482 HydrophobicContact CG2-CD1 3.8Å; V455-R488 WeakPolarHBondContact O-CA 3.35Å; V455-R489 PolarHBondContact N-O 2.96Å; V455-L519 HydrophobicContact CB-CD2 4.17Å; V455-L519 HydrophobicContact CG1-CD2 3.97Å; V455-L519 HydrophobicContact CG2-CD2 3.93Å |
| 456 | E | 88.2 | Confident | 87.9 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 29% | 0.29 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -50.3 | 178 | -177.3 | 162.1 | -174.3 | 0 | 0 | 112 | Q454 R488 V518 H520 | Q454-E456 PolarHBondContact O-N 3.39Å; E456-R488 VanDerWaalsContact CG-NH2 3.31Å; E456-R488 WeakPolarHBondContact O-CG 3.47Å; E456-R488 IonicContact OE1-CZ 3.25Å; E456-R488 IonicContact OE1-NH1 3.95Å; E456-R488 IonicContact OE1-NH2 3.07Å; E456-R488 PolarHBondContact OE1-NH2 3.3Å; E456-V518 HydrophobicContact CB-CG1 4.47Å; E456-V518 PolarHBondContact N-O 3.46Å; E456-H520 IonicContact OE2-CD2 3.17Å; E456-H520 PolarHBondContact OE2-CD2 3.36Å; E456-H520 IonicContact OE2-NE2 3.28Å; E456-H520 PolarHBondContact OE2-NE2 2.69Å; E456-H520 VanDerWaalsContact OE2-NE2 3.08Å |
| 457 | I | 86.7 | Confident | 88 | Confident | 65 Ų | 65 | 45.6 Ų | 45.6 | 33% | 0.333 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.6 | 175.4 | -57.3 | 177.3 | 0 | 0 | 0 | 107.4 | W429 F517 V518 | W429-I457 HydrophobicContact CH2-CD1 4Å; W429-I457 HydrophobicContact CH2-CG2 4.09Å; W429-I457 HydrophobicContact CZ2-CD1 3.94Å; I457-F517 CarbonylContact O-C 3.6Å; I457-F517 VanDerWaalsContact O-CA 3.23Å; I457-F517 WeakPolarHBondContact O-CA 3.43Å; I457-F517 WeakPolarHBondContact O-CB 3.47Å; I457-V518 HydrophobicContact CB-CB 4.12Å; I457-V518 HydrophobicContact CB-CG2 4.15Å; I457-V518 HydrophobicContact CD1-CG2 4.09Å; I457-V518 HydrophobicContact CG1-CB 4.4Å; I457-V518 HydrophobicContact CG1-CG2 4.39Å; I457-V518 PolarHBondContact N-O 2.86Å; I457-V518 PolarHBondContact O-N 3.49Å |
| 458 | L | 88.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 105.8 | 167.4 | -176.5 | 80.9 | 0 | 0 | 0 | 106.1 | V455 V460 L466 L482 G484 P485 Q486 F517 | V455-L458 HydrophobicContact CG1-CB 3.83Å; L458-V460 HydrophobicContact CD1-CG1 4.08Å; L458-V460 HydrophobicContact CD1-CG2 4.48Å; L458-L466 HydrophobicContact CD1-CD2 4.02Å; L458-L482 HydrophobicContact CD1-CB 4.33Å; L458-L482 HydrophobicContact CD2-CB 3.71Å; L458-G484 WeakPolarHBondContact CD2-O 3.32Å; L458-G484 WeakPolarHBondContact CG-O 3.33Å; L458-P485 VanDerWaalsContact O-CA 3.26Å; L458-P485 WeakPolarHBondContact O-CA 3.38Å; L458-Q486 HydrophobicContact CD2-CB 3.74Å; L458-Q486 HydrophobicContact CD2-CG 3.6Å; L458-F517 HydrophobicContact CD1-CB 3.91Å |
| 459 | N | 84.8 | Confident | 89.2 | Confident | 53 Ų | 53 | 34 Ų | 34 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 69.7 | 178.1 | -175.7 | 27.7 | 0 | 0 | 0 | 107.9 | Q515 G516 | N459-Q515 PolarHBondContact ND2-NE2 2.77Å; N459-Q515 CarbonylContact O-C 3.58Å; N459-G516 CarbonylContact C-O 3.54Å; N459-G516 PolarHBondContact N-O 2.81Å; N459-G516 PolarHBondContact O-N 2.79Å |
| 460 | V | 84.2 | Confident | 89.6 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -97.4 | 146.3 | -179 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | L458 D464 F502 F517 | L458-V460 HydrophobicContact CD1-CG1 4.08Å; L458-V460 HydrophobicContact CD1-CG2 4.48Å; V460-D464 HydrophobicContact CB-CB 4.33Å; V460-F502 HydrophobicContact CB-CE2 4.48Å; V460-F502 HydrophobicContact CG1-CE2 3.93Å; V460-F517 HydrophobicContact CG1-CD1 4.14Å |
| 461 | R | 80.1 | Confident | 89.7 | Confident | 38 Ų | 38 | 31.4 Ų | 31.4 | 14% | 0.143 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 152.3 | 179.1 | -172.5 | 178.2 | 58.5 | -177.6 | -1.2 | 111.3 | Y433 G463 D464 P505 P508 N510 | Y433-R461 WeakPolarHBondContact OH-CB 3.4Å; Y433-R461 PolarHBondContact OH-N 3.06Å; R461-G463 PolarHBondContact O-N 2.82Å; R461-D464 WeakPolarHBondContact CB-OD2 3.14Å; R461-D464 IonicContact CZ-OD1 3.03Å; R461-D464 IonicContact CZ-OD2 3.5Å; R461-D464 IonicContact NE-OD1 3.83Å; R461-D464 PolarHBondContact NE-OD1 2.9Å; R461-D464 IonicContact NE-OD2 3.39Å; R461-D464 IonicContact NH2-OD1 2.71Å; R461-D464 PolarHBondContact NH2-OD1 3.07Å; R461-D464 IonicContact NH2-OD2 2.74Å; R461-D464 WeakPolarHBondContact O-CB 3.44Å; R461-D464 PolarHBondContact O-N 2.51Å; R461-P505 PolarHBondContact NH2-O 3.28Å; R461-P508 PolarHBondContact NH1-O 3.26Å; R461-P508 VanDerWaalsContact NH1-O 3.07Å; R461-N510 WeakPolarHBondContact CD-OD1 3.45Å |
| 462 | E | 78.8 | Confident | 89.5 | Confident | 192 Ų | 192 | 37 Ų | 37 | 90% | 0.897 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 123.1 | 174.2 | -167.7 | 172.1 | -169.5 | 0 | 0 | 110.7 | ||
| 463 | G | 79.9 | Confident | 89.4 | Confident | 59 Ų | 59 | 36.3 Ų | 36.3 | 61% | 0.608 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.5 | -17.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R461 | R461-G463 PolarHBondContact O-N 2.82Š|
| 464 | D | 88.8 | Confident | 89 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -81.4 | 150.1 | 174.1 | -59.2 | -0.9 | 0 | 0 | 0 | 110.4 | Y433 V460 R461 F502 Q503 P505 | Y433-D464 WeakPolarHBondContact CE2-OD2 3.32Å; Y433-D464 PolarHBondContact OH-OD2 2.78Å; V460-D464 HydrophobicContact CB-CB 4.33Å; R461-D464 WeakPolarHBondContact CB-OD2 3.14Å; R461-D464 IonicContact CZ-OD1 3.03Å; R461-D464 IonicContact CZ-OD2 3.5Å; R461-D464 IonicContact NE-OD1 3.83Å; R461-D464 PolarHBondContact NE-OD1 2.9Å; R461-D464 IonicContact NE-OD2 3.39Å; R461-D464 IonicContact NH2-OD1 2.71Å; R461-D464 PolarHBondContact NH2-OD1 3.07Å; R461-D464 IonicContact NH2-OD2 2.74Å; R461-D464 WeakPolarHBondContact O-CB 3.44Å; R461-D464 PolarHBondContact O-N 2.51Å; D464-F502 HydrophobicContact CB-CE2 4.18Å; D464-F502 HydrophobicContact CB-CZ 4.41Å; D464-Q503 WeakPolarHBondContact CA-O 3.29Å; D464-P505 VanDerWaalsContact OD1-CD 3.29Å; D464-P505 WeakPolarHBondContact OD1-CD 3.43Å | ||
| 465 | M | 90.9 | Very high | 88.8 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 17% | 0.167 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 128.8 | -172.8 | -171.2 | 168.2 | 64.9 | 0 | 0 | 112.3 | Q481 R483 Q503 | M465-Q481 HydrophobicContact SD-CB 4.35Å; M465-Q481 HydrophobicContact SD-CG 4.22Å; M465-R483 HydrophobicContact CG-CG 4.35Å; M465-R483 PolarHBondContact SD-NH2 2.87Å; M465-Q503 PolarHBondContact N-O 3.47Å; M465-Q503 PolarHBondContact O-N 3.2Å |
| 466 | L | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.3 | 168.1 | 175.3 | 68.6 | 0 | 0 | 0 | 108.9 | L458 L468 L482 Q501 F502 F517 L519 | L458-L466 HydrophobicContact CD1-CD2 4.02Å; L466-L468 HydrophobicContact CG-CD2 4.34Å; L466-L482 HydrophobicContact CB-CB 4.3Å; L466-L482 HydrophobicContact CD2-CD1 4.06Å; L466-L482 PolarHBondContact N-O 2.84Å; L466-L482 VanDerWaalsContact N-O 3.09Å; L466-L482 PolarHBondContact O-N 2.84Å; L466-Q501 CarbonylContact C-O 3.57Å; L466-Q501 WeakPolarHBondContact CA-O 3.34Å; L466-F502 HydrophobicContact CB-CD2 4.33Å; L466-F502 HydrophobicContact CD1-CB 4.15Å; L466-F517 HydrophobicContact CD1-CE1 4.37Å; L466-F517 HydrophobicContact CD1-CZ 4.21Å; L466-F517 HydrophobicContact CD2-CD1 4.46Å; L466-F517 HydrophobicContact CD2-CD2 4.47Å; L466-F517 HydrophobicContact CD2-CG 4.31Å; L466-L519 HydrophobicContact CD2-CD1 3.75Å; L466-L519 HydrophobicContact CD2-CD2 4.11Å; L466-L519 HydrophobicContact CD2-CG 4.44Å |
| 467 | T | 94.4 | Very high | 89 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.6 | 179.4 | -53 | 0 | 0 | 0 | 0 | 110.2 | F469 V478 Q481 Q501 | T467-F469 HydrophobicContact CG2-CD1 4.33Å; T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE1 3.79Å; T467-F469 HydrophobicContact CG2-CE2 3.56Å; T467-F469 HydrophobicContact CG2-CG 4.49Å; T467-F469 HydrophobicContact CG2-CZ 3.37Å; T467-V478 HydrophobicContact CG2-CG1 4.1Å; T467-V478 HydrophobicContact CG2-CG2 4.3Å; T467-Q481 HydrophobicContact CG2-CG 3.91Å; T467-Q501 PolarHBondContact N-O 3.19Å; T467-Q501 PolarHBondContact O-N 3.04Å |
| 468 | L | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.9 | -179.1 | -54.8 | 175.9 | 0 | 0 | 0 | 108.4 | L453 L466 V478 L479 A480 L482 L491 L500 | L453-L468 HydrophobicContact CD2-CD1 3.69Å; L453-L468 HydrophobicContact CD2-CD2 3.75Å; L453-L468 HydrophobicContact CD2-CG 4.38Å; L466-L468 HydrophobicContact CG-CD2 4.34Å; L468-V478 CarbonylContact O-C 3.52Å; L468-L479 HydrophobicContact CB-CB 4.3Å; L468-L479 PolarHBondContact O-N 3.31Å; L468-A480 HydrophobicContact CD1-CB 4.16Å; L468-A480 PolarHBondContact N-O 3.23Å; L468-A480 PolarHBondContact O-N 3.17Å; L468-L482 HydrophobicContact CD1-CD1 3.78Å; L468-L482 HydrophobicContact CD1-CG 4.33Å; L468-L491 HydrophobicContact CD1-CD1 3.21Å; L468-L500 HydrophobicContact CD2-CB 4.38Å; L468-L500 HydrophobicContact CD2-CD2 3.13Å; L468-L500 HydrophobicContact CD2-CG 4.31Å; L468-L500 HydrophobicContact CG-CD2 4.47Å |
| 469 | F | 96.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.9 | -177.7 | -56.6 | -89.4 | 0 | 0 | 0 | 111 | T467 G471 P474 A476 R477 V478 L498 T499 Q501 | T467-F469 HydrophobicContact CG2-CD1 4.33Å; T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE1 3.79Å; T467-F469 HydrophobicContact CG2-CE2 3.56Å; T467-F469 HydrophobicContact CG2-CG 4.49Å; T467-F469 HydrophobicContact CG2-CZ 3.37Å; F469-G471 PolarHBondContact O-N 3.49Å; F469-G471 VanDerWaalsContact O-N 3.15Å; F469-P474 HydrophobicContact CD2-CB 4.4Å; F469-P474 WeakPolarHBondContact CE1-O 3.38Å; F469-P474 HydrophobicContact CE2-CB 3.93Å; F469-P474 HydrophobicContact CZ-CB 4.06Å; F469-A476 HydrophobicContact CB-CB 4.18Å; F469-A476 WeakPolarHBondContact CD1-O 3.46Å; F469-R477 CarbonylContact C-O 3.56Å; F469-R477 WeakPolarHBondContact CA-O 3.47Å; F469-V478 HydrophobicContact CD1-CG2 3.84Å; F469-V478 HydrophobicContact CE1-CG2 3.7Å; F469-L498 WeakPolarHBondContact O-CD1 3.44Å; F469-T499 HydrophobicContact CD2-CG2 4.38Å; F469-T499 PolarHBondContact N-O 2.96Å; F469-T499 PolarHBondContact O-N 3.22Å; F469-Q501 HydrophobicContact CE2-CB 3.79Å |
| 470 | D | 93.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 79.2 | 178.7 | -157.5 | 11.5 | 0 | 0 | 0 | 111.2 | R477 L479 S493 S494 | D470-R477 HydrophobicContact CB-CB 4.4Å; D470-R477 WeakPolarHBondContact CB-O 3.45Å; D470-R477 PolarHBondContact N-O 2.7Å; D470-L479 HydrophobicContact CB-CD1 3.94Å; D470-L479 HydrophobicContact CB-CD2 3.52Å; D470-L479 HydrophobicContact CB-CG 3.52Å; D470-S493 WeakPolarHBondContact OD1-CA 3.43Å; D470-S493 WeakPolarHBondContact OD1-CB 3.33Å; D470-S494 PolarHBondContact OD1-N 2.88Å; D470-S494 PolarHBondContact OD1-OG 3.05Å; D470-S494 WeakPolarHBondContact OD2-CB 3.48Å; D470-S494 PolarHBondContact OD2-N 2.87Å; D470-S494 PolarHBondContact OD2-OG 2.94Å |
| 471 | G | 92.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 145.3 | -175.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | F469 G473 D497 T499 | F469-G471 PolarHBondContact O-N 3.49Å; F469-G471 VanDerWaalsContact O-N 3.15Å; G471-G473 PolarHBondContact O-N 2.9Å; G471-D497 WeakPolarHBondContact CA-O 3.38Å; G471-D497 PolarHBondContact N-O 3.16Å; G471-T499 PolarHBondContact O-N 2.98Å; G471-T499 PolarHBondContact O-OG1 2.83Å |
| 472 | D | 90.8 | Very high | 90.6 | Very high | 118 Ų | 118 | 53.4 Ų | 53.4 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -79.4 | 115.4 | 176.6 | -176 | 18.4 | 0 | 0 | 0 | 110.9 | D497 | D472-D497 HydrophobicContact CB-CB 4.17Š|
| 473 | G | 90.4 | Very high | 91 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 89.8 | 166.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G471 S475 A476 T499 | G471-G473 PolarHBondContact O-N 2.9Å; G473-S475 PolarHBondContact O-N 2.84Å; G473-A476 WeakPolarHBondContact O-CB 3.33Å; G473-A476 PolarHBondContact O-N 2.82Å; G473-T499 WeakPolarHBondContact CA-OG1 3.47Å; G473-T499 PolarHBondContact N-OG1 3.41Å |
| 474 | P | 87.7 | Confident | 90.8 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.7 | -179 | 32.1 | -36.2 | 0 | 0 | 0 | 113.9 | F469 | F469-P474 HydrophobicContact CD2-CB 4.4Å; F469-P474 WeakPolarHBondContact CE1-O 3.38Å; F469-P474 HydrophobicContact CE2-CB 3.93Å; F469-P474 HydrophobicContact CZ-CB 4.06Å |
| 475 | S | 87.8 | Confident | 90.2 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 81% | 0.811 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.8 | 173.5 | 59.5 | 0 | 0 | 0 | 0 | 113 | G473 | G473-S475 PolarHBondContact O-N 2.84Š|
| 476 | A | 91.2 | Very high | 89.3 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -72.5 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F469 G473 V478 | F469-A476 HydrophobicContact CB-CB 4.18Å; F469-A476 WeakPolarHBondContact CD1-O 3.46Å; G473-A476 WeakPolarHBondContact O-CB 3.33Å; G473-A476 PolarHBondContact O-N 2.82Å; A476-V478 PolarHBondContact O-N 2.83Å |
| 477 | R | 92.3 | Very high | 88.2 | Confident | 192 Ų | 192 | 62.2 Ų | 62.2 | 73% | 0.725 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.9 | -177.1 | 176.1 | -174.8 | 171.4 | -170.5 | -1.5 | 110.5 | F469 D470 L479 | F469-R477 CarbonylContact C-O 3.56Å; F469-R477 WeakPolarHBondContact CA-O 3.47Å; D470-R477 HydrophobicContact CB-CB 4.4Å; D470-R477 WeakPolarHBondContact CB-O 3.45Å; D470-R477 PolarHBondContact N-O 2.7Å; R477-L479 PolarHBondContact O-N 2.84Å |
| 478 | V | 93.8 | Very high | 87.6 | Confident | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.376 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 118.9 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | T467 L468 F469 A476 Q481 | T467-V478 HydrophobicContact CG2-CG1 4.1Å; T467-V478 HydrophobicContact CG2-CG2 4.3Å; L468-V478 CarbonylContact O-C 3.52Å; F469-V478 HydrophobicContact CD1-CG2 3.84Å; F469-V478 HydrophobicContact CE1-CG2 3.7Å; A476-V478 PolarHBondContact O-N 2.83Å; V478-Q481 HydrophobicContact CG1-CG 3.98Å |
| 479 | L | 91.9 | Very high | 87.1 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -46.7 | 169.8 | -71.5 | 177.1 | 0 | 0 | 0 | 111.4 | L468 D470 R477 L498 | L468-L479 HydrophobicContact CB-CB 4.3Å; L468-L479 PolarHBondContact O-N 3.31Å; D470-L479 HydrophobicContact CB-CD1 3.94Å; D470-L479 HydrophobicContact CB-CD2 3.52Å; D470-L479 HydrophobicContact CB-CG 3.52Å; R477-L479 PolarHBondContact O-N 2.84Å; L479-L498 HydrophobicContact CD1-CD1 3.41Å; L479-L498 VanDerWaalsContact CD1-CD1 3.41Å |
| 480 | A | 90.3 | Very high | 86.8 | Confident | 12 Ų | 12 | 83.9 Ų | 83.9 | 10% | 0.099 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 152 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L468 L482 L491 | L468-A480 HydrophobicContact CD1-CB 4.16Å; L468-A480 PolarHBondContact N-O 3.23Å; L468-A480 PolarHBondContact O-N 3.17Å; A480-L482 HydrophobicContact CB-CD2 4.35Å; A480-L491 HydrophobicContact CB-CD1 3.97Å; A480-L491 HydrophobicContact CB-CD2 4.47Å |
| 481 | Q | 92.6 | Very high | 86.6 | Confident | 101 Ų | 101 | 83.8 Ų | 83.8 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.4 | 166 | -74.8 | 177 | 1.6 | 0 | 0 | 107.8 | M465 T467 V478 | M465-Q481 HydrophobicContact SD-CB 4.35Å; M465-Q481 HydrophobicContact SD-CG 4.22Å; T467-Q481 HydrophobicContact CG2-CG 3.91Å; V478-Q481 HydrophobicContact CG1-CG 3.98Å |
| 482 | L | 89.9 | Confident | 86.5 | Confident | 12 Ų | 12 | 86.6 Ų | 86.6 | 6% | 0.063 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.6 | -173.5 | -59.3 | 179.6 | 0 | 0 | 0 | 109.3 | V455 L458 L466 L468 A480 | V455-L482 HydrophobicContact CG2-CD1 3.8Å; L458-L482 HydrophobicContact CD1-CB 4.33Å; L458-L482 HydrophobicContact CD2-CB 3.71Å; L466-L482 HydrophobicContact CB-CB 4.3Å; L466-L482 HydrophobicContact CD2-CD1 4.06Å; L466-L482 PolarHBondContact N-O 2.84Å; L466-L482 VanDerWaalsContact N-O 3.09Å; L466-L482 PolarHBondContact O-N 2.84Å; L468-L482 HydrophobicContact CD1-CD1 3.78Å; L468-L482 HydrophobicContact CD1-CG 4.33Å; A480-L482 HydrophobicContact CB-CD2 4.35Å |
| 483 | R | 86.5 | Confident | 86.7 | Confident | 145 Ų | 145 | 81.1 Ų | 81.1 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | trans | -138.1 | 141.4 | -179.4 | -62 | -176.8 | -173.8 | 142.2 | 5.6 | 110.2 | M465 Q486 | M465-R483 HydrophobicContact CG-CG 4.35Å; M465-R483 PolarHBondContact SD-NH2 2.87Å; R483-Q486 PolarHBondContact O-NE2 2.89Å; R483-Q486 VanDerWaalsContact O-NE2 3.11Å | ||
| 484 | G | 76.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 83.4 Ų | 83.4 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 61 | -168.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L458 Q486 | L458-G484 WeakPolarHBondContact CD2-O 3.32Å; L458-G484 WeakPolarHBondContact CG-O 3.33Å; G484-Q486 PolarHBondContact O-N 2.79Å |
| 485 | P | 76.3 | Confident | 86.6 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 69% | 0.688 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -67.6 | 117.2 | 174 | 26.1 | -31.3 | 0 | 0 | 0 | 111.4 | L458 | L458-P485 VanDerWaalsContact O-CA 3.26Å; L458-P485 WeakPolarHBondContact O-CA 3.38Å |
| 486 | Q | 70.8 | Confident | 86.8 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | trans | -118.5 | 148.2 | 176.3 | -66.8 | -68.9 | -29.1 | 0 | 0 | 110.8 | L458 R483 G484 | L458-Q486 HydrophobicContact CD2-CB 3.74Å; L458-Q486 HydrophobicContact CD2-CG 3.6Å; R483-Q486 PolarHBondContact O-NE2 2.89Å; R483-Q486 VanDerWaalsContact O-NE2 3.11Å; G484-Q486 PolarHBondContact O-N 2.79Å | ||
| 487 | P | 71.9 | Confident | 87 | Confident | 100 Ų | 100 | 76.8 Ų | 76.8 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | trans | -64.4 | 155.6 | 171.9 | 28.7 | -34.2 | 0 | 0 | 0 | 110.8 | R489 | P487-R489 PolarHBondContact O-N 2.83Š| ||
| 488 | R | 81.8 | Confident | 87.2 | Confident | 167 Ų | 167 | 67.8 Ų | 67.8 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | trans | -51.6 | 126.1 | 174.9 | -68.7 | -175.9 | 174.4 | -161.6 | -6.4 | 110.4 | V455 E456 | V455-R488 WeakPolarHBondContact O-CA 3.35Å; E456-R488 VanDerWaalsContact CG-NH2 3.31Å; E456-R488 WeakPolarHBondContact O-CG 3.47Å; E456-R488 IonicContact OE1-CZ 3.25Å; E456-R488 IonicContact OE1-NH1 3.95Å; E456-R488 IonicContact OE1-NH2 3.07Å; E456-R488 PolarHBondContact OE1-NH2 3.3Å | ||
| 489 | R | 84.8 | Confident | 87.3 | Confident | 144 Ų | 144 | 65 Ų | 65 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.2 | -176.9 | -177.1 | 173.3 | 175.4 | -177 | -3.6 | 110.8 | V455 P487 L491 | V455-R489 PolarHBondContact N-O 2.96Å; P487-R489 PolarHBondContact O-N 2.83Å; R489-L491 HydrophobicContact CG-CD2 4.39Å |
| 490 | R | 89.5 | Confident | 87.5 | Confident | 167 Ų | 167 | 62.6 Ų | 62.6 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.2 | 172.9 | -66.4 | -178.9 | 178.2 | 173.1 | 4.2 | 110.4 | L452 L453 Q454 | L452-R490 HydrophobicContact CD1-CB 4.24Å; L453-R490 CarbonylContact O-C 3.48Å; L453-R490 WeakPolarHBondContact O-CA 3.46Å; Q454-R490 HydrophobicContact CB-CG 4.31Å; Q454-R490 HydrophobicContact CG-CG 4.14Å |
| 491 | L | 90.4 | Very high | 87.8 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.7 | -179.8 | -61.9 | 170.7 | 0 | 0 | 0 | 108.3 | L453 L468 A480 R489 | L453-L491 HydrophobicContact CB-CB 4.45Å; L453-L491 PolarHBondContact N-O 2.89Å; L453-L491 PolarHBondContact O-N 2.82Å; L468-L491 HydrophobicContact CD1-CD1 3.21Å; A480-L491 HydrophobicContact CB-CD1 3.97Å; A480-L491 HydrophobicContact CB-CD2 4.47Å; R489-L491 HydrophobicContact CG-CD2 4.39Å |
| 492 | L | 90.5 | Very high | 87.9 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | -176.3 | -171.1 | 73.7 | 0 | 0 | 0 | 108.9 | R450 I451 L452 V524 | R450-L492 HydrophobicContact CB-CD1 4.31Å; I451-L492 WeakPolarHBondContact O-CA 3.4Å; L452-L492 HydrophobicContact CB-CD1 4.28Å; L452-L492 HydrophobicContact CD1-CD1 4.13Å; L492-V524 HydrophobicContact CD1-CG2 3.48Å; L492-V524 VanDerWaalsContact CD1-CG2 3.48Å |
| 493 | S | 93.1 | Very high | 88 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -73.9 | 160.6 | 171.3 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | R450 I451 D470 G495 | R450-S493 WeakPolarHBondContact CD-O 3.35Å; R450-S493 WeakPolarHBondContact CG-O 3.35Å; I451-S493 PolarHBondContact N-OG 3.48Å; I451-S493 PolarHBondContact O-N 3.43Å; I451-S493 PolarHBondContact O-OG 3.25Å; D470-S493 WeakPolarHBondContact OD1-CA 3.43Å; D470-S493 WeakPolarHBondContact OD1-CB 3.33Å; S493-G495 PolarHBondContact OG-O 2.96Å | ||
| 494 | S | 88.1 | Confident | 88.2 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 44% | 0.441 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -84 | -24.7 | 173.8 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | R450 D470 | R450-S494 PolarHBondContact NE-O 3.06Å; D470-S494 PolarHBondContact OD1-N 2.88Å; D470-S494 PolarHBondContact OD1-OG 3.05Å; D470-S494 WeakPolarHBondContact OD2-CB 3.48Å; D470-S494 PolarHBondContact OD2-N 2.87Å; D470-S494 PolarHBondContact OD2-OG 2.94Å |
| 495 | G | 88.9 | Confident | 88.7 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -136.6 | -165.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K449 S493 D497 | K449-G495 CarbonylContact O-C 3.57Å; S493-G495 PolarHBondContact OG-O 2.96Å; G495-D497 VanDerWaalsContact C-N 3.3Å; G495-D497 PolarHBondContact O-N 2.88Å |
| 496 | P | 92.3 | Very high | 89 | Confident | 18 Ų | 18 | 57 Ų | 57 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -78.1 | -12 | -176.3 | 33.3 | -37.3 | 0 | 0 | 0 | 113.8 | V445 Q446 I451 | V445-P496 HydrophobicContact CG2-CB 4.17Å; V445-P496 WeakPolarHBondContact CG2-O 3.17Å; V445-P496 PolarHBondContact N-O 2.83Å; V445-P496 WeakPolarHBondContact O-CB 3.02Å; Q446-P496 WeakPolarHBondContact O-CB 3.44Å; I451-P496 WeakPolarHBondContact CD1-O 3.02Å |
| 497 | D | 95 | Very high | 89.2 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 139.4 | -176.1 | -52.2 | -52.9 | 0 | 0 | 0 | 111.9 | V443 H444 G471 D472 G495 | V443-D497 WeakPolarHBondContact O-CA 3.19Å; H444-D497 IonicContact CE1-OD1 3.98Å; H444-D497 IonicContact CG-OD1 3.47Å; H444-D497 IonicContact ND1-OD1 3.1Å; H444-D497 PolarHBondContact ND1-OD1 3.01Å; G471-D497 WeakPolarHBondContact CA-O 3.38Å; G471-D497 PolarHBondContact N-O 3.16Å; D472-D497 HydrophobicContact CB-CB 4.17Å; G495-D497 VanDerWaalsContact C-N 3.3Å; G495-D497 PolarHBondContact O-N 2.88Å |
| 498 | L | 96.1 | Very high | 89 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 126.3 | 175.6 | 179.4 | 77.5 | 0 | 0 | 0 | 109.3 | V443 I451 L453 F469 L479 L500 | V443-L498 HydrophobicContact CB-CB 4.35Å; V443-L498 WeakPolarHBondContact CB-O 3.36Å; V443-L498 PolarHBondContact N-O 2.83Å; V443-L498 PolarHBondContact O-N 2.84Å; I451-L498 HydrophobicContact CB-CB 4.47Å; I451-L498 HydrophobicContact CB-CD2 4.45Å; I451-L498 HydrophobicContact CD1-CB 3.54Å; I451-L498 HydrophobicContact CG2-CD2 3.87Å; L453-L498 HydrophobicContact CB-CD2 4.19Å; L453-L498 HydrophobicContact CD1-CD2 4.22Å; L453-L498 HydrophobicContact CD2-CD2 4.3Å; L453-L498 HydrophobicContact CG-CD2 4.47Å; F469-L498 WeakPolarHBondContact O-CD1 3.44Å; L479-L498 HydrophobicContact CD1-CD1 3.41Å; L479-L498 VanDerWaalsContact CD1-CD1 3.41Å; L498-L500 HydrophobicContact CD2-CD2 3.89Å; L498-L500 HydrophobicContact CG-CD2 4.05Å |
| 499 | T | 97.1 | Very high | 88 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.7 | 177 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | V440 W441 F469 G471 G473 | V440-T499 HydrophobicContact CG1-CG2 3.78Å; W441-T499 WeakPolarHBondContact O-CA 3.03Å; F469-T499 HydrophobicContact CD2-CG2 4.38Å; F469-T499 PolarHBondContact N-O 2.96Å; F469-T499 PolarHBondContact O-N 3.22Å; G471-T499 PolarHBondContact O-N 2.98Å; G471-T499 PolarHBondContact O-OG1 2.83Å; G473-T499 WeakPolarHBondContact CA-OG1 3.47Å; G473-T499 PolarHBondContact N-OG1 3.41Å |
| 500 | L | 96.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.1 | 178.6 | -42.3 | 172.9 | 0 | 0 | 0 | 108.3 | V424 V440 W441 V443 L453 L468 L498 L519 | V424-L500 HydrophobicContact CB-CD1 4.03Å; V424-L500 HydrophobicContact CG1-CD1 3.94Å; V424-L500 HydrophobicContact CG2-CD1 3.68Å; V440-L500 CarbonylContact C-O 3.51Å; V440-L500 WeakPolarHBondContact CA-O 3.35Å; W441-L500 HydrophobicContact CB-CB 4.24Å; W441-L500 HydrophobicContact CB-CD1 4.24Å; W441-L500 HydrophobicContact CB-CG 4.47Å; W441-L500 HydrophobicContact CE3-CB 4.2Å; W441-L500 PolarHBondContact N-O 2.84Å; W441-L500 PolarHBondContact O-N 3.47Å; V443-L500 HydrophobicContact CG2-CD1 4.22Å; L453-L500 HydrophobicContact CD2-CD2 4.06Å; L468-L500 HydrophobicContact CD2-CB 4.38Å; L468-L500 HydrophobicContact CD2-CD2 3.13Å; L468-L500 HydrophobicContact CD2-CG 4.31Å; L468-L500 HydrophobicContact CG-CD2 4.47Å; L498-L500 HydrophobicContact CD2-CD2 3.89Å; L498-L500 HydrophobicContact CG-CD2 4.05Å; L500-L519 HydrophobicContact CD1-CD1 4.18Å |
| 501 | Q | 95.8 | Very high | 85 | Confident | 24 Ų | 24 | 44 Ų | 44 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.7 | 174.9 | -176.8 | 170.8 | 22.2 | 0 | 0 | 110.7 | D438 C439 V440 L466 T467 F469 Q503 | D438-Q501 PolarHBondContact OD1-NE2 3.49Å; C439-Q501 CarbonylContact O-C 3.54Å; C439-Q501 VanDerWaalsContact O-CA 3.32Å; C439-Q501 WeakPolarHBondContact O-CA 3.4Å; V440-Q501 HydrophobicContact CG2-CB 4.46Å; V440-Q501 HydrophobicContact CG2-CG 4.05Å; L466-Q501 CarbonylContact C-O 3.57Å; L466-Q501 WeakPolarHBondContact CA-O 3.34Å; T467-Q501 PolarHBondContact N-O 3.19Å; T467-Q501 PolarHBondContact O-N 3.04Å; F469-Q501 HydrophobicContact CE2-CB 3.79Å; Q501-Q503 HydrophobicContact CG-CG 4.12Å |
| 502 | F | 94.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.5 | 174.2 | 177.7 | -119.1 | 0 | 0 | 0 | 110.7 | Y433 D438 C439 W441 V460 D464 L466 A504 F517 | Y433-F502 HydrophobicContact CD1-CE1 4.46Å; Y433-F502 HydrophobicContact CD1-CZ 4.28Å; Y433-F502 AromaticContact CD2-CE1 3.77Å; Y433-F502 HydrophobicContact CD2-CE1 3.77Å; Y433-F502 AromaticContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CE1-CZ 4.06Å; Y433-F502 HydrophobicContact CE2-CE1 4.02Å; Y433-F502 AromaticContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CG-CE1 4Å; Y433-F502 HydrophobicContact CG-CZ 4.16Å; Y433-F502 AromaticContact CZ-CZ 3.69Å; D438-F502 CarbonylContact C-O 3.6Å; D438-F502 WeakPolarHBondContact CA-O 3.41Å; C439-F502 HydrophobicContact CB-CB 4.41Å; C439-F502 PolarHBondContact N-O 3.39Å; C439-F502 PolarHBondContact O-N 2.03Å; W441-F502 HydrophobicContact CH2-CB 4.12Å; W441-F502 HydrophobicContact CZ3-CB 3.69Å; V460-F502 HydrophobicContact CB-CE2 4.48Å; V460-F502 HydrophobicContact CG1-CE2 3.93Å; D464-F502 HydrophobicContact CB-CE2 4.18Å; D464-F502 HydrophobicContact CB-CZ 4.41Å; L466-F502 HydrophobicContact CB-CD2 4.33Å; L466-F502 HydrophobicContact CD1-CB 4.15Å; F502-A504 HydrophobicContact CE1-CB 3.94Å; F502-A504 HydrophobicContact CZ-CB 3.95Å; F502-F517 HydrophobicContact CB-CE1 3.91Å; F502-F517 HydrophobicContact CB-CZ 4.07Å; F502-F517 AromaticContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD2-CD1 4.24Å; F502-F517 AromaticContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CE1-CE1 4.37Å; F502-F517 HydrophobicContact CE2-CD1 4.39Å; F502-F517 HydrophobicContact CE2-CE1 4.05Å; F502-F517 AromaticContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CZ 4.16Å; F502-F517 HydrophobicContact CZ-CE1 4.41Å |
| 503 | Q | 92.8 | Very high | 81.5 | Confident | 70 Ų | 70 | 46 Ų | 46 | 33% | 0.327 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.9 | 179.3 | -70.8 | 176.2 | -23.4 | 0 | 0 | 110 | D438 D464 M465 Q501 | D438-Q503 WeakPolarHBondContact OD1-CG 3.37Å; D464-Q503 WeakPolarHBondContact CA-O 3.29Å; M465-Q503 PolarHBondContact N-O 3.47Å; M465-Q503 PolarHBondContact O-N 3.2Å; Q501-Q503 HydrophobicContact CG-CG 4.12Å |
| 504 | A | 89.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | trans | -114.7 | 105.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y433 G436 Q437 F502 | Y433-A504 HydrophobicContact CD2-CB 4.2Å; Y433-A504 HydrophobicContact CE2-CB 3.93Å; G436-A504 CarbonylContact C-O 3.59Å; G436-A504 VanDerWaalsContact C-O 3.3Å; G436-A504 WeakPolarHBondContact CA-O 3.45Å; G436-A504 PolarHBondContact N-O 2.92Å; Q437-A504 HydrophobicContact CB-CB 4.24Å; Q437-A504 PolarHBondContact N-O 3.25Å; Q437-A504 VanDerWaalsContact N-O 3.16Å; Q437-A504 PolarHBondContact O-N 2.81Å; F502-A504 HydrophobicContact CE1-CB 3.94Å; F502-A504 HydrophobicContact CZ-CB 3.95Å | ||
| 505 | P | 86.1 | Confident | 79.2 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | trans | -55.4 | 155.7 | 175.3 | 19.1 | -32.8 | 0 | 0 | 0 | 112.9 | G436 R461 D464 G507 | G436-P505 PolarHBondContact N-O 3.4Å; R461-P505 PolarHBondContact NH2-O 3.28Å; D464-P505 VanDerWaalsContact OD1-CD 3.29Å; D464-P505 WeakPolarHBondContact OD1-CD 3.43Å; P505-G507 PolarHBondContact O-N 3.11Å | ||
| 506 | P | 83.8 | Confident | 79.1 | Confident | 118 Ų | 118 | 45.7 Ų | 45.7 | 77% | 0.766 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -57.8 | 137.8 | 172.9 | -19.7 | 30.9 | 0 | 0 | 0 | 110.8 | ||
| 507 | G | 73.9 | Confident | 79 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | trans | -177.5 | 178 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P435 P505 | P435-G507 WeakPolarHBondContact CB-O 3.49Å; P435-G507 WeakPolarHBondContact CG-O 3.25Å; P505-G507 PolarHBondContact O-N 3.11Å | ||
| 508 | P | 67.3 | Low | 78.9 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 66% | 0.662 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 145.2 | 174.6 | 26.2 | -32.8 | 0 | 0 | 0 | 110.4 | R461 | R461-P508 PolarHBondContact NH1-O 3.26Å; R461-P508 VanDerWaalsContact NH1-O 3.07Å |
| 509 | P | 62 | Low | 78.8 | Confident | 101 Ų | 101 | 43.1 Ų | 43.1 | 66% | 0.656 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 139.9 | 174.1 | 24.2 | -31 | 0 | 0 | 0 | 109.9 | P511 | P509-P511 WeakPolarHBondContact O-CD 3.21Š|
| 510 | N | 59.6 | Low | 78.7 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -81 | 122.1 | 176.8 | -101.4 | 7.4 | 0 | 0 | 0 | 109.6 | S432 R461 G512 Q515 | S432-N510 WeakPolarHBondContact CB-O 3.49Å; S432-N510 PolarHBondContact OG-O 2.88Å; R461-N510 WeakPolarHBondContact CD-OD1 3.45Å; N510-G512 PolarHBondContact O-N 2.77Å; N510-Q515 PolarHBondContact ND2-OE1 3.49Å |
| 511 | P | 51.2 | Low | 78.7 | Confident | 125 Ų | 125 | 46.5 Ų | 46.5 | 81% | 0.812 | 29% | 0.29 | S | S | * | . | trans | -83 | 100 | 170.4 | 30.7 | -28.9 | 0 | 0 | 0 | 109 | P509 | P509-P511 WeakPolarHBondContact O-CD 3.21Š| ||
| 512 | G | 54.9 | Low | 78.6 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | trans | -179.1 | 135.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S432 N510 | S432-G512 PolarHBondContact OG-O 2.79Å; N510-G512 PolarHBondContact O-N 2.77Å | ||
| 513 | L | 53.6 | Low | 78.6 | Confident | 104 Ų | 104 | 53.2 Ų | 53.2 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 138 | 171.7 | -163.2 | 69 | 0 | 0 | 0 | 109.5 | ||
| 514 | G | 58 | Low | 78.4 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 19.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | P430 | P430-G514 PolarHBondContact O-N 3.24Š|
| 515 | Q | 74.6 | Confident | 78.1 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | trans | -84.3 | 117.6 | 165.9 | -66.4 | -94.7 | -28.2 | 0 | 0 | 108.2 | S432 N459 N510 | S432-Q515 WeakPolarHBondContact OG-CB 3.3Å; N459-Q515 PolarHBondContact ND2-NE2 2.77Å; N459-Q515 CarbonylContact O-C 3.58Å; N510-Q515 PolarHBondContact ND2-OE1 3.49Å | ||
| 516 | G | 85.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -155.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | S426 N459 | S426-G516 VanDerWaalsContact OG-CA 3.31Å; S426-G516 WeakPolarHBondContact OG-CA 3.23Å; N459-G516 CarbonylContact C-O 3.54Å; N459-G516 PolarHBondContact N-O 2.81Å; N459-G516 PolarHBondContact O-N 2.79Å |
| 517 | F | 90.4 | Very high | 76.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.5 | 177.8 | 60.5 | -100.9 | 0 | 0 | 0 | 112.5 | V424 S426 W441 I457 L458 V460 L466 F502 L519 | V424-F517 HydrophobicContact CG1-CE2 4.28Å; S426-F517 PolarHBondContact N-O 2.9Å; S426-F517 PolarHBondContact OG-N 2.61Å; W441-F517 HydrophobicContact CH2-CE2 4.46Å; W441-F517 AromaticContact CH2-CZ 3.72Å; W441-F517 HydrophobicContact CH2-CZ 3.72Å; W441-F517 AromaticContact CZ3-CZ 3.92Å; W441-F517 HydrophobicContact CZ3-CZ 3.92Å; I457-F517 CarbonylContact O-C 3.6Å; I457-F517 VanDerWaalsContact O-CA 3.23Å; I457-F517 WeakPolarHBondContact O-CA 3.43Å; I457-F517 WeakPolarHBondContact O-CB 3.47Å; L458-F517 HydrophobicContact CD1-CB 3.91Å; V460-F517 HydrophobicContact CG1-CD1 4.14Å; L466-F517 HydrophobicContact CD1-CE1 4.37Å; L466-F517 HydrophobicContact CD1-CZ 4.21Å; L466-F517 HydrophobicContact CD2-CD1 4.46Å; L466-F517 HydrophobicContact CD2-CD2 4.47Å; L466-F517 HydrophobicContact CD2-CG 4.31Å; F502-F517 HydrophobicContact CB-CE1 3.91Å; F502-F517 HydrophobicContact CB-CZ 4.07Å; F502-F517 AromaticContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD2-CD1 4.24Å; F502-F517 AromaticContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CE1-CE1 4.37Å; F502-F517 HydrophobicContact CE2-CD1 4.39Å; F502-F517 HydrophobicContact CE2-CE1 4.05Å; F502-F517 AromaticContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CZ 4.16Å; F502-F517 HydrophobicContact CZ-CE1 4.41Å; F517-L519 HydrophobicContact CD2-CD1 3.88Å; F517-L519 HydrophobicContact CD2-CD2 4.48Å; F517-L519 HydrophobicContact CD2-CG 3.79Å; F517-L519 HydrophobicContact CE2-CD1 4.01Å; F517-L519 HydrophobicContact CE2-CG 4.36Å |
| 518 | V | 92.2 | Very high | 76.1 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 114.1 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | V423 L425 W429 E456 I457 | V423-V518 HydrophobicContact CG1-CG1 3.95Å; L425-V518 HydrophobicContact CD2-CB 4.29Å; L425-V518 HydrophobicContact CD2-CG1 3.9Å; L425-V518 HydrophobicContact CD2-CG2 3.91Å; W429-V518 HydrophobicContact CD2-CG2 4.05Å; W429-V518 VanDerWaalsContact CE2-CG2 3.45Å; W429-V518 HydrophobicContact CE3-CG2 4.49Å; W429-V518 HydrophobicContact CH2-CG2 3.9Å; W429-V518 HydrophobicContact CZ2-CG2 3.38Å; W429-V518 HydrophobicContact CZ3-CG2 4.42Å; E456-V518 HydrophobicContact CB-CG1 4.47Å; E456-V518 PolarHBondContact N-O 3.46Å; I457-V518 HydrophobicContact CB-CB 4.12Å; I457-V518 HydrophobicContact CB-CG2 4.15Å; I457-V518 HydrophobicContact CD1-CG2 4.09Å; I457-V518 HydrophobicContact CG1-CB 4.4Å; I457-V518 HydrophobicContact CG1-CG2 4.39Å; I457-V518 PolarHBondContact N-O 2.86Å; I457-V518 PolarHBondContact O-N 3.49Å |
| 519 | L | 94.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.7 | -178.4 | -48.9 | 172.7 | 0 | 0 | 0 | 109.1 | V423 V424 L453 V455 L466 L500 F517 | V423-L519 CarbonylContact C-O 3.46Å; V423-L519 VanDerWaalsContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CG1-O 3.49Å; V424-L519 HydrophobicContact CB-CB 4.27Å; V424-L519 HydrophobicContact CB-CD1 4.44Å; V424-L519 PolarHBondContact N-O 2.88Å; V424-L519 PolarHBondContact O-N 3.37Å; L453-L519 HydrophobicContact CD1-CB 4.07Å; V455-L519 HydrophobicContact CB-CD2 4.17Å; V455-L519 HydrophobicContact CG1-CD2 3.97Å; V455-L519 HydrophobicContact CG2-CD2 3.93Å; L466-L519 HydrophobicContact CD2-CD1 3.75Å; L466-L519 HydrophobicContact CD2-CD2 4.11Å; L466-L519 HydrophobicContact CD2-CG 4.44Å; L500-L519 HydrophobicContact CD1-CD1 4.18Å; F517-L519 HydrophobicContact CD2-CD1 3.88Å; F517-L519 HydrophobicContact CD2-CD2 4.48Å; F517-L519 HydrophobicContact CD2-CG 3.79Å; F517-L519 HydrophobicContact CE2-CD1 4.01Å; F517-L519 HydrophobicContact CE2-CG 4.36Å |
| 520 | H | 95.4 | Very high | 77.2 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.9 | 172.2 | -69.9 | -97.6 | 0 | 0 | 0 | 109.2 | G422 V423 L453 Q454 E456 | G422-H520 WeakPolarHBondContact O-CA 3.06Å; V423-H520 VanDerWaalsContact CG2-CE1 3.48Å; V423-H520 WeakPolarHBondContact CG2-CE1 3.41Å; V423-H520 WeakPolarHBondContact CG2-ND1 3.37Å; L453-H520 CarbonylContact C-O 3.58Å; L453-H520 WeakPolarHBondContact CA-O 3.25Å; Q454-H520 HydrophobicContact CB-CB 4.45Å; Q454-H520 PolarHBondContact N-O 2.93Å; Q454-H520 PolarHBondContact O-N 3.47Å; E456-H520 IonicContact OE2-CD2 3.17Å; E456-H520 PolarHBondContact OE2-CD2 3.36Å; E456-H520 IonicContact OE2-NE2 3.28Å; E456-H520 PolarHBondContact OE2-NE2 2.69Å; E456-H520 VanDerWaalsContact OE2-NE2 3.08Å |
| 521 | F | 95.8 | Very high | 78.3 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.7 | 171.6 | 73.3 | -88.2 | 0 | 0 | 0 | 110.6 | L417 E419 A421 G422 V424 V443 I451 L452 L453 | L417-F521 HydrophobicContact CB-CZ 4.13Å; L417-F521 HydrophobicContact CD1-CE1 3.98Å; L417-F521 HydrophobicContact CD1-CZ 4.43Å; E419-F521 WeakPolarHBondContact O-CE2 3.35Å; A421-F521 CarbonylContact C-O 3.57Å; A421-F521 VanDerWaalsContact CA-O 3.25Å; A421-F521 WeakPolarHBondContact CA-O 3.49Å; A421-F521 WeakPolarHBondContact CB-O 3.49Å; G422-F521 VanDerWaalsContact C-CD1 3.46Å; G422-F521 PolarHBondContact N-O 3.45Å; G422-F521 WeakPolarHBondContact O-CD1 3.48Å; G422-F521 PolarHBondContact O-N 3.08Å; V424-F521 HydrophobicContact CG2-CD1 4.15Å; V424-F521 HydrophobicContact CG2-CE1 4.26Å; V443-F521 HydrophobicContact CG1-CD2 3.6Å; V443-F521 HydrophobicContact CG1-CE1 4.48Å; V443-F521 HydrophobicContact CG1-CE2 3.57Å; V443-F521 HydrophobicContact CG1-CG 4.08Å; V443-F521 HydrophobicContact CG1-CZ 4.04Å; I451-F521 HydrophobicContact CG2-CB 3.94Å; I451-F521 HydrophobicContact CG2-CD2 4.49Å; L452-F521 WeakPolarHBondContact O-CA 3.26Å; L453-F521 HydrophobicContact CD1-CB 3.85Å |
| 522 | K | 95.1 | Very high | 79.9 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 150.7 | 169.9 | 62.9 | 173.8 | -179 | 172.3 | 0 | 111.4 | P420 A421 L452 V524 | P420-K522 CarbonylContact O-C 3.53Å; P420-K522 WeakPolarHBondContact O-CA 3.48Å; A421-K522 HydrophobicContact CB-CB 3.85Å; L452-K522 HydrophobicContact CB-CG 4.18Å; L452-K522 VanDerWaalsContact CD2-CE 3.43Å; L452-K522 HydrophobicContact CD2-CG 4.39Å; L452-K522 PolarHBondContact N-O 2.9Å; L452-K522 PolarHBondContact O-N 3.22Å; K522-V524 HydrophobicContact CG-CG1 4.38Å |
| 523 | E | 93.8 | Very high | 81.4 | Confident | 60 Ų | 60 | 52.6 Ų | 52.6 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 140.5 | 169.6 | 69.3 | 174.3 | -152.3 | 0 | 0 | 110.4 | P420 V445 K449 R450 | P420-E523 HydrophobicContact CB-CG 3.95Å; P420-E523 WeakPolarHBondContact O-CG 3.49Å; P420-E523 PolarHBondContact O-N 3.3Å; V445-E523 HydrophobicContact CB-CB 4.22Å; V445-E523 HydrophobicContact CG1-CB 4.17Å; V445-E523 HydrophobicContact CG2-CB 4.46Å; K449-E523 HydrophobicContact CB-CB 4.31Å; R450-E523 CarbonylContact O-C 3.46Å; R450-E523 WeakPolarHBondContact O-CA 3.39Å |
| 524 | V | 89.1 | Confident | 83 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.2 | 174.5 | -68.1 | 0 | 0 | 0 | 0 | 108.6 | R450 L452 L492 K522 | R450-V524 HydrophobicContact CB-CG2 3.97Å; R450-V524 PolarHBondContact N-O 2.92Å; R450-V524 WeakPolarHBondContact O-CG2 3.06Å; R450-V524 PolarHBondContact O-N 3.07Å; L452-V524 HydrophobicContact CB-CG1 3.68Å; L452-V524 HydrophobicContact CB-CG2 4Å; L452-V524 HydrophobicContact CD2-CG1 4.32Å; L492-V524 HydrophobicContact CD1-CG2 3.48Å; L492-V524 VanDerWaalsContact CD1-CG2 3.48Å; K522-V524 HydrophobicContact CG-CG1 4.38Å |
| 525 | P | 82.3 | Confident | 84.5 | Confident | 92 Ų | 92 | 54.7 Ų | 54.7 | 60% | 0.597 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 146.9 | 174.2 | 25.4 | -33.6 | 0 | 0 | 0 | 110.2 | N527 | P525-N527 PolarHBondContact O-N 2.66Å |
| 526 | R | 73.2 | Confident | 85.3 | Confident | 128 Ų | 128 | 53 Ų | 53 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | trans | -59.7 | 107.4 | 174.2 | -153.4 | 176.9 | -167.2 | -164.1 | -0.9 | 107.9 | R450 D528 | R450-R526 HydrophobicContact CG-CB 4.39Å; R450-R526 HydrophobicContact CG-CG 3.96Å; R450-R526 VanDerWaalsContact CZ-CG 3.44Å; R450-R526 VanDerWaalsContact NE-CG 3.31Å; R526-D528 WeakPolarHBondContact CD-OD2 3.44Å; R526-D528 WeakPolarHBondContact CG-OD2 3.39Å; R526-D528 IonicContact CZ-OD2 3.2Å; R526-D528 IonicContact NE-OD2 3.76Å; R526-D528 PolarHBondContact O-N 3.44Å | ||
| 527 | N | 65.5 | Low | 85.6 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -68.8 | 47 | -178.2 | -169.5 | 40.7 | 0 | 0 | 0 | 112.9 | P525 T529 L576 | P525-N527 PolarHBondContact O-N 2.66Å; N527-T529 VanDerWaalsContact C-N 3.28Å; N527-L576 VanDerWaalsContact O-CD1 3.25Å; N527-L576 WeakPolarHBondContact O-CD1 3.49Å |
| 528 | D | 63.8 | Low | 85.5 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | trans | -95 | 11.7 | 171.1 | -64.2 | -27.8 | 0 | 0 | 0 | 111.1 | R450 R526 I549 R550 L576 | R450-D528 IonicContact CZ-OD1 3.49Å; R450-D528 IonicContact NH1-OD1 3.79Å; R450-D528 PolarHBondContact NH1-OD1 3.25Å; R450-D528 IonicContact NH2-OD1 2.68Å; R450-D528 PolarHBondContact NH2-OD1 3.15Å; R450-D528 IonicContact NH2-OD2 3.64Å; R450-D528 PolarHBondContact NH2-OD2 3.19Å; R450-D528 VanDerWaalsContact NH2-OD2 3.07Å; R526-D528 WeakPolarHBondContact CD-OD2 3.44Å; R526-D528 WeakPolarHBondContact CG-OD2 3.39Å; R526-D528 IonicContact CZ-OD2 3.2Å; R526-D528 IonicContact NE-OD2 3.76Å; R526-D528 PolarHBondContact O-N 3.44Å; D528-I549 CarbonylContact O-C 3.39Å; D528-I549 VanDerWaalsContact O-CA 3.25Å; D528-I549 WeakPolarHBondContact O-CA 3.2Å; D528-R550 PolarHBondContact O-N 3.19Å; D528-R550 VanDerWaalsContact O-N 3.09Å; D528-L576 WeakPolarHBondContact O-CD2 3.33Å | ||
| 529 | T | 72.1 | Confident | 85.5 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 127.1 | -175.9 | 51.2 | 0 | 0 | 0 | 0 | 112 | N527 L548 I549 | N527-T529 VanDerWaalsContact C-N 3.28Å; T529-L548 CarbonylContact C-O 3.4Å; T529-L548 WeakPolarHBondContact CA-O 3.25Å; T529-I549 HydrophobicContact CG2-CG2 3.97Å |
| 530 | C | 79.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.034 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 156.4 | 169.6 | -80.5 | 0 | 0 | 0 | 0 | 111.5 | L548 C572 L576 W578 | C530-L548 PolarHBondContact N-O 3.42Å; C530-C572 HydrophobicContact CB-CB 3.92Å; C530-C572 WeakPolarHBondContact CB-SG 3.43Å; C530-C572 WeakPolarHBondContact SG-CA 3.4Å; C530-C572 WeakPolarHBondContact SG-CB 3.22Å; C530-C572 CovalentContact SG-SG 2.03Å; C530-C572 PolarHBondContact SG-SG 2.99Å; C530-L576 PolarHBondContact SG-O 2.65Å; C530-L576 VanDerWaalsContact SG-O 3.42Å; C530-W578 HydrophobicContact CB-CD2 4.37Å; C530-W578 HydrophobicContact CB-CH2 4.36Å; C530-W578 HydrophobicContact CB-CZ2 3.68Å |
| 531 | P | 83.7 | Confident | 85.3 | Confident | 80 Ų | 80 | 72.7 Ų | 72.7 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 139.8 | 175.3 | -23.8 | 32.1 | 0 | 0 | 0 | 112.2 | L533 L576 W578 | P531-L533 PolarHBondContact O-N 2.74Å; P531-L576 VanDerWaalsContact CD-O 3.31Å; P531-L576 WeakPolarHBondContact CD-O 3.44Å; P531-W578 PolarHBondContact O-NE1 2.79Å |
| 532 | E | 83.6 | Confident | 85.1 | Confident | 149 Ų | 149 | 75.4 Ų | 75.4 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -72 | 129.9 | 176.5 | -174.3 | 166.2 | -163.2 | 0 | 0 | 111.6 | R541 L548 | E532-R541 IonicContact OE1-NH2 3.51Å; E532-R541 PolarHBondContact OE1-NH2 2.76Å; E532-L548 HydrophobicContact CB-CD1 3.93Å; E532-L548 HydrophobicContact CG-CD1 4.01Å |
| 533 | L | 88.1 | Confident | 84.9 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 136 | 177.6 | -63.2 | 178.7 | 0 | 0 | 0 | 110.8 | P531 R541 L554 Y556 L570 W578 P582 | P531-L533 PolarHBondContact O-N 2.74Å; L533-R541 PolarHBondContact O-NE 2.94Å; L533-R541 PolarHBondContact O-NH1 2.85Å; L533-R541 PolarHBondContact O-NH2 2.79Å; L533-L554 HydrophobicContact CD1-CD1 4.28Å; L533-Y556 WeakPolarHBondContact CB-OH 3.42Å; L533-L570 HydrophobicContact CD1-CD2 3.6Å; L533-W578 HydrophobicContact CD1-CB 4.44Å; L533-W578 HydrophobicContact CD1-CD2 3.93Å; L533-W578 HydrophobicContact CD1-CG 3.71Å; L533-W578 HydrophobicContact CG-CG 4.39Å; L533-P582 HydrophobicContact CD1-CB 4.49Å |
| 534 | P | 86.9 | Confident | 84.6 | Confident | 90 Ų | 90 | 73.1 Ų | 73.1 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 155.5 | 178.2 | 28.9 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 535 | P | 89.3 | Confident | 84 | Confident | 80 Ų | 80 | 77 Ų | 77 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 149.9 | 166.9 | 29.2 | -33.3 | 0 | 0 | 0 | 110.7 | R541 | P535-R541 HydrophobicContact CB-CG 4.36Š|
| 536 | P | 91.8 | Very high | 83.6 | Confident | 16 Ų | 16 | 76.6 Ų | 76.6 | 10% | 0.104 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 146.6 | 178.4 | 31.1 | -33.5 | 0 | 0 | 0 | 110.5 | W538 G539 Y556 | P536-W538 PolarHBondContact O-N 2.97Å; P536-G539 PolarHBondContact O-N 2.8Å; P536-Y556 HydrophobicContact CG-CD1 3.9Å |
| 537 | E | 90.4 | Very high | 83.6 | Confident | 161 Ų | 161 | 76.1 Ų | 76.1 | 75% | 0.752 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 132.9 | 171.5 | -66.3 | -170.7 | 165.8 | 0 | 0 | 110.1 | G539 C585 | E537-G539 VanDerWaalsContact C-N 3.3Å; E537-G539 PolarHBondContact O-N 2.83Å; E537-C585 WeakPolarHBondContact O-CB 3.33Å |
| 538 | W | 89.9 | Confident | 84.4 | Confident | 146 Ų | 146 | 73 Ų | 73 | 55% | 0.553 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 35.5 | -174.3 | -44.5 | 99.2 | 0 | 0 | 0 | 113.6 | P536 E559 Y562 | P536-W538 PolarHBondContact O-N 2.97Å; W538-E559 WeakPolarHBondContact O-CB 3.48Å; W538-E559 WeakPolarHBondContact O-CG 3.35Å; W538-E559 PolarHBondContact O-N 2.81Å; W538-Y562 HydrophobicContact CB-CD1 3.91Å; W538-Y562 HydrophobicContact CB-CD2 4.21Å; W538-Y562 HydrophobicContact CB-CE1 3.76Å; W538-Y562 HydrophobicContact CB-CE2 4.11Å; W538-Y562 HydrophobicContact CB-CG 4.15Å; W538-Y562 AromaticContact CD1-CE1 3.75Å; W538-Y562 HydrophobicContact CD2-CE1 4.45Å; W538-Y562 HydrophobicContact CG-CD1 4.32Å; W538-Y562 AromaticContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE2 4.31Å; W538-Y562 AromaticContact CG-CZ 3.69Å |
| 539 | G | 91.3 | Very high | 85.3 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -177.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P536 E537 Q557 | P536-G539 PolarHBondContact O-N 2.8Å; E537-G539 VanDerWaalsContact C-N 3.3Å; E537-G539 PolarHBondContact O-N 2.83Å; G539-Q557 CarbonylContact C-O 3.47Å; G539-Q557 WeakPolarHBondContact CA-O 3.36Å |
| 540 | W | 92.4 | Very high | 85.6 | Confident | 108 Ų | 108 | 78.7 Ų | 78.7 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160 | 177.1 | 66 | 96.2 | 0 | 0 | 0 | 111.3 | Q557 E559 | W540-Q557 HydrophobicContact CD2-CB 4.09Å; W540-Q557 HydrophobicContact CH2-CB 4.05Å; W540-Q557 HydrophobicContact CZ2-CB 3.56Å; W540-Q557 HydrophobicContact CZ2-CG 4.33Å; W540-Q557 VanDerWaalsContact CZ2-OE1 3.31Å; W540-Q557 PolarHBondContact N-O 2.91Å; W540-Q557 PolarHBondContact O-N 3.42Å; W540-E559 HydrophobicContact CZ3-CG 4.26Å |
| 541 | R | 93.1 | Very high | 85.7 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.6 | 173.1 | 71.1 | 176.2 | -178.1 | 138.5 | 0.4 | 110.3 | E532 L533 P535 T555 Y556 | E532-R541 IonicContact OE1-NH2 3.51Å; E532-R541 PolarHBondContact OE1-NH2 2.76Å; L533-R541 PolarHBondContact O-NE 2.94Å; L533-R541 PolarHBondContact O-NH1 2.85Å; L533-R541 PolarHBondContact O-NH2 2.79Å; P535-R541 HydrophobicContact CB-CG 4.36Å; R541-T555 CarbonylContact C-O 3.58Å; R541-T555 WeakPolarHBondContact CA-O 3.14Å; R541-Y556 HydrophobicContact CB-CD1 3.8Å; R541-Y556 HydrophobicContact CB-CE1 3.67Å; R541-Y556 HydrophobicContact CB-CG 4.42Å |
| 542 | T | 92.8 | Very high | 85.8 | Confident | 65 Ų | 65 | 77 Ų | 77 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.6 | 171.7 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | L554 T555 | T542-L554 WeakPolarHBondContact O-CA 3.22Å; T542-T555 PolarHBondContact N-O 3.09Å; T542-T555 PolarHBondContact O-N 2.74Å; T542-T555 PolarHBondContact OG1-O 3.39Å |
| 543 | A | 89.9 | Confident | 86.2 | Confident | 51 Ų | 51 | 72 Ų | 72 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | H545 L554 | A543-H545 VanDerWaalsContact C-N 3.27Å; A543-H545 VanDerWaalsContact CB-O 3.27Å; A543-H545 WeakPolarHBondContact CB-O 3.49Å; A543-H545 PolarHBondContact O-N 3.34Å; A543-L554 HydrophobicContact CB-CD2 3.58Å |
| 544 | S | 87.4 | Confident | 86.4 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -69.3 | -24.8 | 174.7 | 67.3 | 0 | 0 | 0 | 0 | 113.4 | V553 | S544-V553 PolarHBondContact N-O 2.71Å; S544-V553 PolarHBondContact OG-N 2.79Å; S544-V553 VanDerWaalsContact OG-N 3.08Å |
| 545 | H | 76.4 | Confident | 86.8 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -134.8 | 157.4 | 178.9 | -62.7 | 102.6 | 0 | 0 | 0 | 110.1 | A543 T552 | A543-H545 VanDerWaalsContact C-N 3.27Å; A543-H545 VanDerWaalsContact CB-O 3.27Å; A543-H545 WeakPolarHBondContact CB-O 3.49Å; A543-H545 PolarHBondContact O-N 3.34Å; H545-T552 HydrophobicContact CB-CG2 4.48Å |
| 546 | G | 73.7 | Confident | 87 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 86% | 0.856 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -67.3 | -36.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 547 | D | 72.7 | Confident | 87.1 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -100 | 142.4 | 175.3 | -59.9 | -46 | 0 | 0 | 0 | 110.9 | I549 T552 | D547-I549 HydrophobicContact CB-CG2 4.07Å; D547-I549 PolarHBondContact O-N 2.77Å; D547-T552 PolarHBondContact O-OG1 2.96Å |
| 548 | L | 82.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | trans | -80.8 | 49.7 | -175.8 | -59.6 | 177.4 | 0 | 0 | 0 | 113 | T529 C530 E532 T552 L554 W578 | T529-L548 CarbonylContact C-O 3.4Å; T529-L548 WeakPolarHBondContact CA-O 3.25Å; C530-L548 PolarHBondContact N-O 3.42Å; E532-L548 HydrophobicContact CB-CD1 3.93Å; E532-L548 HydrophobicContact CG-CD1 4.01Å; L548-T552 HydrophobicContact CD2-CG2 4.37Å; L548-L554 HydrophobicContact CD2-CD2 3.96Å; L548-W578 HydrophobicContact CB-CZ2 4.43Å; L548-W578 HydrophobicContact CD1-CZ2 4.36Å; L548-W578 HydrophobicContact CD2-CH2 4.22Å; L548-W578 HydrophobicContact CD2-CZ2 4.33Å | ||
| 549 | I | 82.2 | Confident | 87.3 | Confident | 71 Ų | 71 | 59 Ų | 59 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 168 | -175.9 | 59.7 | 172.5 | 0 | 0 | 0 | 113.1 | D528 T529 D547 G551 T552 C572 | D528-I549 CarbonylContact O-C 3.39Å; D528-I549 VanDerWaalsContact O-CA 3.25Å; D528-I549 WeakPolarHBondContact O-CA 3.2Å; T529-I549 HydrophobicContact CG2-CG2 3.97Å; D547-I549 HydrophobicContact CB-CG2 4.07Å; D547-I549 PolarHBondContact O-N 2.77Å; I549-G551 PolarHBondContact O-N 2.94Å; I549-T552 WeakPolarHBondContact CG1-OG1 3.4Å; I549-T552 PolarHBondContact N-OG1 3.01Å; I549-T552 WeakPolarHBondContact O-CB 3.42Å; I549-T552 PolarHBondContact O-N 3.29Å; I549-T552 PolarHBondContact O-OG1 2.89Å; I549-C572 WeakPolarHBondContact O-CB 3.2Å; I549-C572 PolarHBondContact O-SG 2.96Å |
| 550 | R | 80 | Confident | 87.1 | Confident | 132 Ų | 132 | 63.7 Ų | 63.7 | 50% | 0.498 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | 132.9 | 172 | -71.5 | 177 | 168.6 | 166.2 | -2.5 | 112.9 | D528 T552 W574 L576 | D528-R550 PolarHBondContact O-N 3.19Å; D528-R550 VanDerWaalsContact O-N 3.09Å; R550-T552 PolarHBondContact O-N 2.88Å; R550-W574 PolarHBondContact NE-O 2.87Å; R550-W574 PolarHBondContact NH2-O 2.76Å; R550-L576 HydrophobicContact CG-CD2 3.7Å |
| 551 | G | 80.6 | Confident | 86.7 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -3.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I549 C572 | I549-G551 PolarHBondContact O-N 2.94Å; G551-C572 PolarHBondContact N-O 2.79Å |
| 552 | T | 85.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -62.6 | 137.3 | 173.1 | -61 | 0 | 0 | 0 | 0 | 110.6 | H545 D547 L548 I549 R550 T571 C572 | H545-T552 HydrophobicContact CB-CG2 4.48Å; D547-T552 PolarHBondContact O-OG1 2.96Å; L548-T552 HydrophobicContact CD2-CG2 4.37Å; I549-T552 WeakPolarHBondContact CG1-OG1 3.4Å; I549-T552 PolarHBondContact N-OG1 3.01Å; I549-T552 WeakPolarHBondContact O-CB 3.42Å; I549-T552 PolarHBondContact O-N 3.29Å; I549-T552 PolarHBondContact O-OG1 2.89Å; R550-T552 PolarHBondContact O-N 2.88Å; T552-T571 WeakPolarHBondContact O-CA 3.43Å; T552-C572 PolarHBondContact O-N 2.88Å | ||
| 553 | V | 92.4 | Very high | 86.4 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123 | -178.8 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | S544 I569 L570 T571 | S544-V553 PolarHBondContact N-O 2.71Å; S544-V553 PolarHBondContact OG-N 2.79Å; S544-V553 VanDerWaalsContact OG-N 3.08Å; V553-I569 HydrophobicContact CG1-CG2 3.36Å; V553-L570 CarbonylContact C-O 3.56Å; V553-L570 WeakPolarHBondContact CA-O 3.44Å; V553-T571 HydrophobicContact CG1-CG2 4.29Å; V553-T571 HydrophobicContact CG2-CG2 4.11Å |
| 554 | L | 93.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131 | 169.7 | -66.7 | -177.8 | 0 | 0 | 0 | 109.4 | L533 T542 A543 L548 Y556 I569 L570 W578 | L533-L554 HydrophobicContact CD1-CD1 4.28Å; T542-L554 WeakPolarHBondContact O-CA 3.22Å; A543-L554 HydrophobicContact CB-CD2 3.58Å; L548-L554 HydrophobicContact CD2-CD2 3.96Å; L554-Y556 HydrophobicContact CB-CE2 3.95Å; L554-Y556 HydrophobicContact CD1-CE2 4.44Å; L554-I569 CarbonylContact O-C 3.44Å; L554-I569 WeakPolarHBondContact O-CA 3.42Å; L554-L570 HydrophobicContact CB-CB 4.3Å; L554-L570 PolarHBondContact N-O 2.03Å; L554-L570 PolarHBondContact O-N 2.03Å; L554-W578 HydrophobicContact CB-CZ3 4.36Å; L554-W578 HydrophobicContact CD1-CD2 4.48Å; L554-W578 HydrophobicContact CD1-CE3 4.25Å; L554-W578 HydrophobicContact CD1-CH2 3.36Å; L554-W578 HydrophobicContact CD1-CZ2 3.6Å; L554-W578 HydrophobicContact CD1-CZ3 3.7Å; L554-W578 HydrophobicContact CD2-CH2 4.34Å; L554-W578 HydrophobicContact CG-CH2 3.48Å; L554-W578 VanDerWaalsContact CG-CH2 3.48Å; L554-W578 HydrophobicContact CG-CZ2 4.23Å; L554-W578 HydrophobicContact CG-CZ3 3.66Å |
| 555 | T | 94 | Very high | 86.8 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 28% | 0.276 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.6 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | R541 T542 D568 | R541-T555 CarbonylContact C-O 3.58Å; R541-T555 WeakPolarHBondContact CA-O 3.14Å; T542-T555 PolarHBondContact N-O 3.09Å; T542-T555 PolarHBondContact O-N 2.74Å; T542-T555 PolarHBondContact OG1-O 3.39Å; T555-D568 CarbonylContact C-O 3.46Å; T555-D568 WeakPolarHBondContact CA-O 3.31Å |
| 556 | Y | 94.6 | Very high | 87.4 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138.8 | -178.8 | -71.4 | -92.2 | 0 | 0 | 0 | 111.2 | L533 P536 R541 L554 D568 L570 P583 | L533-Y556 WeakPolarHBondContact CB-OH 3.42Å; P536-Y556 HydrophobicContact CG-CD1 3.9Å; R541-Y556 HydrophobicContact CB-CD1 3.8Å; R541-Y556 HydrophobicContact CB-CE1 3.67Å; R541-Y556 HydrophobicContact CB-CG 4.42Å; L554-Y556 HydrophobicContact CB-CE2 3.95Å; L554-Y556 HydrophobicContact CD1-CE2 4.44Å; Y556-D568 PolarHBondContact N-O 2.74Å; Y556-L570 HydrophobicContact CD2-CD1 4.16Å; Y556-L570 HydrophobicContact CE2-CB 4.43Å; Y556-L570 HydrophobicContact CE2-CD1 4.02Å; Y556-L570 HydrophobicContact CE2-CD2 4.11Å; Y556-L570 HydrophobicContact CE2-CG 4.42Å; Y556-P583 HydrophobicContact CD1-CG 3.84Å; Y556-P583 HydrophobicContact CD2-CG 3.8Å; Y556-P583 HydrophobicContact CE1-CG 4.44Å; Y556-P583 HydrophobicContact CE2-CG 4.41Å; Y556-P583 HydrophobicContact CG-CG 3.47Å; Y556-P583 VanDerWaalsContact CG-CG 3.47Å |
| 557 | Q | 93.8 | Very high | 88.3 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141 | 178.6 | -70.8 | 173.9 | 58.4 | 0 | 0 | 109.8 | G539 W540 | G539-Q557 CarbonylContact C-O 3.47Å; G539-Q557 WeakPolarHBondContact CA-O 3.36Å; W540-Q557 HydrophobicContact CD2-CB 4.09Å; W540-Q557 HydrophobicContact CH2-CB 4.05Å; W540-Q557 HydrophobicContact CZ2-CB 3.56Å; W540-Q557 HydrophobicContact CZ2-CG 4.33Å; W540-Q557 VanDerWaalsContact CZ2-OE1 3.31Å; W540-Q557 PolarHBondContact N-O 2.91Å; W540-Q557 PolarHBondContact O-N 3.42Å |
| 558 | C | 93.2 | Very high | 89.3 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 155.7 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | L564 C585 | C558-L564 VanDerWaalsContact SG-CA 3.59Å; C558-L564 WeakPolarHBondContact SG-CD1 3.04Å; C558-C585 WeakPolarHBondContact CA-SG 3.19Å; C558-C585 HydrophobicContact CB-CB 3.82Å; C558-C585 WeakPolarHBondContact CB-SG 3.42Å; C558-C585 VanDerWaalsContact SG-CA 3.53Å; C558-C585 WeakPolarHBondContact SG-CB 3.34Å; C558-C585 CovalentContact SG-SG 2.03Å; C558-C585 PolarHBondContact SG-SG 3.09Å |
| 559 | E | 91.1 | Very high | 89.8 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 154.5 | 171.9 | -71.7 | -175.6 | 167.6 | 0 | 0 | 112.3 | W538 W540 G561 Y562 | W538-E559 WeakPolarHBondContact O-CB 3.48Å; W538-E559 WeakPolarHBondContact O-CG 3.35Å; W538-E559 PolarHBondContact O-N 2.81Å; W540-E559 HydrophobicContact CZ3-CG 4.26Å; E559-G561 PolarHBondContact O-N 3.06Å; E559-Y562 HydrophobicContact CB-CD2 4.44Å; E559-Y562 PolarHBondContact O-N 3.03Å |
| 560 | P | 87.8 | Confident | 90.3 | Very high | 114 Ų | 114 | 54.8 Ų | 54.8 | 74% | 0.74 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 123.2 | 178.9 | -25.2 | 34.4 | 0 | 0 | 0 | 112.9 | ||
| 561 | G | 83.1 | Confident | 90.8 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | -1.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E559 I588 | E559-G561 PolarHBondContact O-N 3.06Å; G561-I588 PolarHBondContact O-N 2.86Å |
| 562 | Y | 89.1 | Confident | 91.2 | Very high | 54 Ų | 54 | 49 Ų | 49 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.1 | 171.2 | -66.7 | -107.1 | 0 | 0 | 0 | 110.3 | W538 E559 C585 Q586 K587 | W538-Y562 HydrophobicContact CB-CD1 3.91Å; W538-Y562 HydrophobicContact CB-CD2 4.21Å; W538-Y562 HydrophobicContact CB-CE1 3.76Å; W538-Y562 HydrophobicContact CB-CE2 4.11Å; W538-Y562 HydrophobicContact CB-CG 4.15Å; W538-Y562 AromaticContact CD1-CE1 3.75Å; W538-Y562 HydrophobicContact CD2-CE1 4.45Å; W538-Y562 HydrophobicContact CG-CD1 4.32Å; W538-Y562 AromaticContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE2 4.31Å; W538-Y562 AromaticContact CG-CZ 3.69Å; E559-Y562 HydrophobicContact CB-CD2 4.44Å; E559-Y562 PolarHBondContact O-N 3.03Å; Y562-C585 HydrophobicContact CD1-CB 4.32Å; Y562-Q586 CarbonylContact C-O 3.54Å; Y562-Q586 WeakPolarHBondContact CA-O 3.32Å; Y562-K587 HydrophobicContact CD1-CB 4.04Å; Y562-K587 HydrophobicContact CE1-CB 3.78Å; Y562-K587 HydrophobicContact CE1-CG 4.43Å |
| 563 | E | 90.1 | Very high | 91 | Very high | 89 Ų | 89 | 52.4 Ų | 52.4 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.2 | 172.1 | 62.5 | -179.7 | -170.4 | 0 | 0 | 110.6 | C585 Q586 I588 | E563-C585 WeakPolarHBondContact O-CA 3.22Å; E563-Q586 HydrophobicContact CG-CB 4.48Å; E563-Q586 PolarHBondContact N-O 2.89Å; E563-Q586 PolarHBondContact O-N 3.48Å; E563-I588 HydrophobicContact CB-CD1 4.07Å; E563-I588 HydrophobicContact CB-CG1 3.84Å; E563-I588 HydrophobicContact CG-CG1 3.97Å |
| 564 | L | 92.4 | Very high | 90 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124.1 | 179.2 | -168.1 | 82.5 | 0 | 0 | 0 | 110 | C558 D568 P583 | C558-L564 VanDerWaalsContact SG-CA 3.59Å; C558-L564 WeakPolarHBondContact SG-CD1 3.04Å; L564-D568 HydrophobicContact CD2-CB 3.55Å; L564-P583 HydrophobicContact CD1-CB 3.74Å; L564-P583 HydrophobicContact CD1-CG 3.82Å; L564-P583 HydrophobicContact CD2-CB 4.17Å; L564-P583 HydrophobicContact CD2-CG 4.31Å; L564-P583 HydrophobicContact CG-CB 3.89Å; L564-P583 HydrophobicContact CG-CG 4.33Å |
| 565 | L | 93.3 | Very high | 89.3 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.6 | 172 | -63.5 | -179.2 | 0 | 0 | 0 | 110.1 | P583 A584 Q586 | L565-P583 VanDerWaalsContact O-CA 3.29Å; L565-P583 WeakPolarHBondContact O-CA 3.11Å; L565-P583 WeakPolarHBondContact O-CB 3.45Å; L565-A584 PolarHBondContact N-O 3.15Å; L565-A584 PolarHBondContact O-N 3.33Å; L565-Q586 HydrophobicContact CD1-CB 3.76Å; L565-Q586 HydrophobicContact CG-CB 4.19Å |
| 566 | G | 90.3 | Very high | 88.5 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 121.6 | -163.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 567 | S | 92.4 | Very high | 88.1 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | trans | -77.7 | 127.3 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | I569 L570 P583 | S567-I569 VanDerWaalsContact C-N 3.26Å; S567-L570 WeakPolarHBondContact O-CD1 3.25Å; S567-P583 WeakPolarHBondContact O-CG 3.46Å | ||
| 568 | D | 92.3 | Very high | 87.9 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -71.4 | -21.8 | 172.5 | 62.9 | -23.4 | 0 | 0 | 0 | 113 | T555 Y556 L564 | T555-D568 CarbonylContact C-O 3.46Å; T555-D568 WeakPolarHBondContact CA-O 3.31Å; Y556-D568 PolarHBondContact N-O 2.74Å; L564-D568 HydrophobicContact CD2-CB 3.55Å |
| 569 | I | 93.6 | Very high | 87.8 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 41% | 0.405 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.3 | -179.1 | -59.2 | 172.9 | 0 | 0 | 0 | 110.7 | V553 L554 S567 T571 | V553-I569 HydrophobicContact CG1-CG2 3.36Å; L554-I569 CarbonylContact O-C 3.44Å; L554-I569 WeakPolarHBondContact O-CA 3.42Å; S567-I569 VanDerWaalsContact C-N 3.26Å; I569-T571 HydrophobicContact CG2-CG2 4.41Å |
| 570 | L | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136 | 173.5 | -85.2 | 66.8 | 0 | 0 | 0 | 109.7 | L533 V553 L554 Y556 S567 W578 A580 | L533-L570 HydrophobicContact CD1-CD2 3.6Å; V553-L570 CarbonylContact C-O 3.56Å; V553-L570 WeakPolarHBondContact CA-O 3.44Å; L554-L570 HydrophobicContact CB-CB 4.3Å; L554-L570 PolarHBondContact N-O 2.03Å; L554-L570 PolarHBondContact O-N 2.03Å; Y556-L570 HydrophobicContact CD2-CD1 4.16Å; Y556-L570 HydrophobicContact CE2-CB 4.43Å; Y556-L570 HydrophobicContact CE2-CD1 4.02Å; Y556-L570 HydrophobicContact CE2-CD2 4.11Å; Y556-L570 HydrophobicContact CE2-CG 4.42Å; S567-L570 WeakPolarHBondContact O-CD1 3.25Å; L570-W578 HydrophobicContact CB-CE3 3.95Å; L570-W578 HydrophobicContact CD2-CB 4.35Å; L570-A580 VanDerWaalsContact CD2-O 3.28Å; L570-A580 WeakPolarHBondContact CD2-O 3.05Å; L570-A580 HydrophobicContact CG-CB 4.37Å |
| 571 | T | 91.3 | Very high | 87.8 | Confident | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.2 | -178.7 | 58.6 | 0 | 0 | 0 | 0 | 111 | T552 V553 I569 Q573 S579 | T552-T571 WeakPolarHBondContact O-CA 3.43Å; V553-T571 HydrophobicContact CG1-CG2 4.29Å; V553-T571 HydrophobicContact CG2-CG2 4.11Å; I569-T571 HydrophobicContact CG2-CG2 4.41Å; T571-Q573 PolarHBondContact O-N 3.25Å; T571-S579 PolarHBondContact N-OG 3.31Å; T571-S579 PolarHBondContact O-N 2.89Å; T571-S579 WeakPolarHBondContact OG1-CB 3.05Å; T571-S579 PolarHBondContact OG1-OG 3.39Å |
| 572 | C | 88.5 | Confident | 88.1 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 113.6 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 110 | C530 I549 G551 T552 W578 | C530-C572 HydrophobicContact CB-CB 3.92Å; C530-C572 WeakPolarHBondContact CB-SG 3.43Å; C530-C572 WeakPolarHBondContact SG-CA 3.4Å; C530-C572 WeakPolarHBondContact SG-CB 3.22Å; C530-C572 CovalentContact SG-SG 2.03Å; C530-C572 PolarHBondContact SG-SG 2.99Å; I549-C572 WeakPolarHBondContact O-CB 3.2Å; I549-C572 PolarHBondContact O-SG 2.96Å; G551-C572 PolarHBondContact N-O 2.79Å; T552-C572 PolarHBondContact O-N 2.88Å; C572-W578 HydrophobicContact CB-CE3 4.28Å; C572-W578 HydrophobicContact CB-CH2 4.09Å; C572-W578 HydrophobicContact CB-CZ3 3.87Å |
| 573 | Q | 83.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | trans | -83.5 | 173.8 | -172.8 | -62.6 | -173.8 | 97.5 | 0 | 0 | 112.5 | T571 D575 L576 S577 W578 | T571-Q573 PolarHBondContact O-N 3.25Å; Q573-D575 VanDerWaalsContact CB-OD1 3.27Å; Q573-D575 WeakPolarHBondContact CB-OD1 3.29Å; Q573-D575 PolarHBondContact O-N 2.92Å; Q573-L576 PolarHBondContact O-N 3.12Å; Q573-L576 VanDerWaalsContact O-N 3.15Å; Q573-S577 WeakPolarHBondContact CB-O 3.45Å; Q573-S577 PolarHBondContact N-O 2.89Å; Q573-S577 PolarHBondContact NE2-OG 3.22Å; Q573-W578 PolarHBondContact NE2-O 3.08Å | ||
| 574 | W | 70.1 | Confident | 88.5 | Confident | 209 Ų | 209 | 59.2 Ų | 59.2 | 79% | 0.792 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.7 | -178.3 | 64.2 | -87.9 | 0 | 0 | 0 | 113.3 | R550 L576 | R550-W574 PolarHBondContact NE-O 2.87Å; R550-W574 PolarHBondContact NH2-O 2.76Å; W574-L576 VanDerWaalsContact C-N 3.25Å; W574-L576 PolarHBondContact O-N 3.4Å |
| 575 | D | 78.3 | Confident | 88.6 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 7.4 | 176.9 | 68.8 | -11.9 | 0 | 0 | 0 | 113.5 | Q573 S577 | Q573-D575 VanDerWaalsContact CB-OD1 3.27Å; Q573-D575 WeakPolarHBondContact CB-OD1 3.29Å; Q573-D575 PolarHBondContact O-N 2.92Å; D575-S577 PolarHBondContact O-N 3.44Å; D575-S577 VanDerWaalsContact OD1-CB 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.25Å; D575-S577 PolarHBondContact OD1-N 3.34Å; D575-S577 PolarHBondContact OD1-OG 2.95Å; D575-S577 PolarHBondContact OD2-OG 2.97Å |
| 576 | L | 78.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 63.8 | 23.3 | -176.7 | -51.1 | 173.8 | 0 | 0 | 0 | 113.8 | N527 D528 C530 P531 R550 Q573 W574 | N527-L576 VanDerWaalsContact O-CD1 3.25Å; N527-L576 WeakPolarHBondContact O-CD1 3.49Å; D528-L576 WeakPolarHBondContact O-CD2 3.33Å; C530-L576 PolarHBondContact SG-O 2.65Å; C530-L576 VanDerWaalsContact SG-O 3.42Å; P531-L576 VanDerWaalsContact CD-O 3.31Å; P531-L576 WeakPolarHBondContact CD-O 3.44Å; R550-L576 HydrophobicContact CG-CD2 3.7Å; Q573-L576 PolarHBondContact O-N 3.12Å; Q573-L576 VanDerWaalsContact O-N 3.15Å; W574-L576 VanDerWaalsContact C-N 3.25Å; W574-L576 PolarHBondContact O-N 3.4Å |
| 577 | S | 85.5 | Confident | 88.3 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | trans | -102.2 | 160.6 | 169.6 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | Q573 D575 | Q573-S577 WeakPolarHBondContact CB-O 3.45Å; Q573-S577 PolarHBondContact N-O 2.89Å; Q573-S577 PolarHBondContact NE2-OG 3.22Å; D575-S577 PolarHBondContact O-N 3.44Å; D575-S577 VanDerWaalsContact OD1-CB 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.25Å; D575-S577 PolarHBondContact OD1-N 3.34Å; D575-S577 PolarHBondContact OD1-OG 2.95Å; D575-S577 PolarHBondContact OD2-OG 2.97Å | ||
| 578 | W | 89.9 | Confident | 88.1 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 144.1 | 170 | -68.2 | 103.9 | 0 | 0 | 0 | 111 | C530 P531 L533 L548 L554 L570 C572 Q573 A580 | C530-W578 HydrophobicContact CB-CD2 4.37Å; C530-W578 HydrophobicContact CB-CH2 4.36Å; C530-W578 HydrophobicContact CB-CZ2 3.68Å; P531-W578 PolarHBondContact O-NE1 2.79Å; L533-W578 HydrophobicContact CD1-CB 4.44Å; L533-W578 HydrophobicContact CD1-CD2 3.93Å; L533-W578 HydrophobicContact CD1-CG 3.71Å; L533-W578 HydrophobicContact CG-CG 4.39Å; L548-W578 HydrophobicContact CB-CZ2 4.43Å; L548-W578 HydrophobicContact CD1-CZ2 4.36Å; L548-W578 HydrophobicContact CD2-CH2 4.22Å; L548-W578 HydrophobicContact CD2-CZ2 4.33Å; L554-W578 HydrophobicContact CB-CZ3 4.36Å; L554-W578 HydrophobicContact CD1-CD2 4.48Å; L554-W578 HydrophobicContact CD1-CE3 4.25Å; L554-W578 HydrophobicContact CD1-CH2 3.36Å; L554-W578 HydrophobicContact CD1-CZ2 3.6Å; L554-W578 HydrophobicContact CD1-CZ3 3.7Å; L554-W578 HydrophobicContact CD2-CH2 4.34Å; L554-W578 HydrophobicContact CG-CH2 3.48Å; L554-W578 VanDerWaalsContact CG-CH2 3.48Å; L554-W578 HydrophobicContact CG-CZ2 4.23Å; L554-W578 HydrophobicContact CG-CZ3 3.66Å; L570-W578 HydrophobicContact CB-CE3 3.95Å; L570-W578 HydrophobicContact CD2-CB 4.35Å; C572-W578 HydrophobicContact CB-CE3 4.28Å; C572-W578 HydrophobicContact CB-CH2 4.09Å; C572-W578 HydrophobicContact CB-CZ3 3.87Å; Q573-W578 PolarHBondContact NE2-O 3.08Å; W578-A580 PolarHBondContact O-N 2.91Å; W578-A580 VanDerWaalsContact O-N 3.16Å |
| 579 | S | 90.7 | Very high | 87.8 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -59.9 | -23.6 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 115 | T571 | T571-S579 PolarHBondContact N-OG 3.31Å; T571-S579 PolarHBondContact O-N 2.89Å; T571-S579 WeakPolarHBondContact OG1-CB 3.05Å; T571-S579 PolarHBondContact OG1-OG 3.39Å |
| 580 | A | 89.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 59 Ų | 59 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -152.7 | 170 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L570 W578 | L570-A580 VanDerWaalsContact CD2-O 3.28Å; L570-A580 WeakPolarHBondContact CD2-O 3.05Å; L570-A580 HydrophobicContact CG-CB 4.37Å; W578-A580 PolarHBondContact O-N 2.91Å; W578-A580 VanDerWaalsContact O-N 3.16Å |
| 581 | A | 89.6 | Confident | 87.4 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 152.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 582 | P | 90.1 | Very high | 87.2 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 136.2 | 178.7 | 24.2 | -32.8 | 0 | 0 | 0 | 111.5 | L533 | L533-P582 HydrophobicContact CD1-CB 4.49Š|
| 583 | P | 93.6 | Very high | 87.2 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.071 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 162.8 | -179.5 | 33.7 | -37.8 | 0 | 0 | 0 | 112.2 | Y556 L564 L565 S567 | Y556-P583 HydrophobicContact CD1-CG 3.84Å; Y556-P583 HydrophobicContact CD2-CG 3.8Å; Y556-P583 HydrophobicContact CE1-CG 4.44Å; Y556-P583 HydrophobicContact CE2-CG 4.41Å; Y556-P583 HydrophobicContact CG-CG 3.47Å; Y556-P583 VanDerWaalsContact CG-CG 3.47Å; L564-P583 HydrophobicContact CD1-CB 3.74Å; L564-P583 HydrophobicContact CD1-CG 3.82Å; L564-P583 HydrophobicContact CD2-CB 4.17Å; L564-P583 HydrophobicContact CD2-CG 4.31Å; L564-P583 HydrophobicContact CG-CB 3.89Å; L564-P583 HydrophobicContact CG-CG 4.33Å; L565-P583 VanDerWaalsContact O-CA 3.29Å; L565-P583 WeakPolarHBondContact O-CA 3.11Å; L565-P583 WeakPolarHBondContact O-CB 3.45Å; S567-P583 WeakPolarHBondContact O-CG 3.46Å |
| 584 | A | 93.3 | Very high | 87.4 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L565 | L565-A584 PolarHBondContact N-O 3.15Å; L565-A584 PolarHBondContact O-N 3.33Å |
| 585 | C | 93.9 | Very high | 88.2 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 14% | 0.135 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119 | 175.6 | -66 | 0 | 0 | 0 | 0 | 110.5 | E537 C558 Y562 E563 | E537-C585 WeakPolarHBondContact O-CB 3.33Å; C558-C585 WeakPolarHBondContact CA-SG 3.19Å; C558-C585 HydrophobicContact CB-CB 3.82Å; C558-C585 WeakPolarHBondContact CB-SG 3.42Å; C558-C585 VanDerWaalsContact SG-CA 3.53Å; C558-C585 WeakPolarHBondContact SG-CB 3.34Å; C558-C585 CovalentContact SG-SG 2.03Å; C558-C585 PolarHBondContact SG-SG 3.09Å; Y562-C585 HydrophobicContact CD1-CB 4.32Å; E563-C585 WeakPolarHBondContact O-CA 3.22Å |
| 586 | Q | 90.7 | Very high | 88.7 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.3 | 177 | -174.7 | 172.9 | 29.3 | 0 | 0 | 110.8 | Y562 E563 L565 I588 | Y562-Q586 CarbonylContact C-O 3.54Å; Y562-Q586 WeakPolarHBondContact CA-O 3.32Å; E563-Q586 HydrophobicContact CG-CB 4.48Å; E563-Q586 PolarHBondContact N-O 2.89Å; E563-Q586 PolarHBondContact O-N 3.48Å; L565-Q586 HydrophobicContact CD1-CB 3.76Å; L565-Q586 HydrophobicContact CG-CB 4.19Å; Q586-I588 PolarHBondContact O-N 2.03Å |
| 587 | K | 86.7 | Confident | 89.3 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 129.4 | 176.9 | -170.6 | 171.4 | -176.7 | 170 | 0 | 110.8 | Y562 M589 | Y562-K587 HydrophobicContact CD1-CB 4.04Å; Y562-K587 HydrophobicContact CE1-CB 3.78Å; Y562-K587 HydrophobicContact CE1-CG 4.43Å; K587-M589 HydrophobicContact CD-SD 3.97Å; K587-M589 HydrophobicContact CG-SD 4Å; K587-M589 PolarHBondContact O-N 3.39Å |
| 588 | I | 88.6 | Confident | 89.4 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | trans | -74.1 | 116.4 | 176.5 | -60.6 | 165.6 | 0 | 0 | 0 | 108.4 | G561 E563 Q586 T640 P641 | G561-I588 PolarHBondContact O-N 2.86Å; E563-I588 HydrophobicContact CB-CD1 4.07Å; E563-I588 HydrophobicContact CB-CG1 3.84Å; E563-I588 HydrophobicContact CG-CG1 3.97Å; Q586-I588 PolarHBondContact O-N 2.03Å; I588-T640 HydrophobicContact CD1-CG2 3.78Å; I588-P641 WeakPolarHBondContact O-CD 3.44Å; I588-P641 WeakPolarHBondContact O-CG 3.34Å | ||
| 589 | M | 85.4 | Confident | 89.4 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 47% | 0.473 | 37% | 0.369 | S | S | . | . | trans | -112.1 | 11.3 | -177.5 | -64.6 | -59.9 | -66.5 | 0 | 0 | 113.2 | K587 P610 V611 | K587-M589 HydrophobicContact CD-SD 3.97Å; K587-M589 HydrophobicContact CG-SD 4Å; K587-M589 PolarHBondContact O-N 3.39Å; M589-P610 CarbonylContact O-C 3.59Å; M589-P610 WeakPolarHBondContact O-CA 3.05Å; M589-V611 HydrophobicContact CE-CG2 4.47Å; M589-V611 WeakPolarHBondContact O-CG2 3.45Å; M589-V611 PolarHBondContact O-N 3.45Å | ||
| 590 | T | 89.1 | Confident | 89.2 | Confident | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 147.3 | -178.6 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | G608 F609 P610 | T590-G608 WeakPolarHBondContact CB-O 3.48Å; T590-G608 VanDerWaalsContact CG2-O 3.26Å; T590-G608 WeakPolarHBondContact CG2-O 3.46Å; T590-F609 CarbonylContact C-O 3.47Å; T590-F609 VanDerWaalsContact CA-O 3.3Å; T590-F609 WeakPolarHBondContact CA-O 3.45Å; T590-P610 HydrophobicContact CG2-CB 4.49Å |
| 591 | C | 88.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 150.3 | 170.3 | -72.4 | 0 | 0 | 0 | 0 | 110.6 | F609 C633 P641 K642 W643 | C591-F609 HydrophobicContact CB-CB 4.49Å; C591-F609 PolarHBondContact N-O 2.95Å; C591-C633 HydrophobicContact CB-CB 3.86Å; C591-C633 WeakPolarHBondContact CB-SG 3.3Å; C591-C633 VanDerWaalsContact SG-CA 3.54Å; C591-C633 WeakPolarHBondContact SG-CB 3.31Å; C591-C633 CovalentContact SG-SG 2.03Å; C591-C633 PolarHBondContact SG-SG 2.96Å; C591-P641 VanDerWaalsContact SG-C 3.6Å; C591-K642 VanDerWaalsContact SG-C 3.57Å; C591-W643 HydrophobicContact CB-CD2 4.13Å; C591-W643 VanDerWaalsContact CB-CE2 3.48Å; C591-W643 HydrophobicContact CB-CH2 4.37Å; C591-W643 HydrophobicContact CB-CZ2 3.62Å |
| 592 | A | 87.8 | Confident | 89.3 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 67% | 0.669 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -61 | 149 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P594 W643 | A592-P594 VanDerWaalsContact O-CD 3.31Å; A592-P594 WeakPolarHBondContact O-CD 3.45Å; A592-P594 VanDerWaalsContact O-N 3.17Å; A592-W643 PolarHBondContact O-NE1 3.13Å |
| 593 | D | 89.4 | Confident | 89.4 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 119.6 | 178.2 | -173.9 | -14.7 | 0 | 0 | 0 | 110.5 | G595 R602 F609 | D593-G595 PolarHBondContact O-N 3.22Å; D593-G595 PolarHBondContact OD1-N 3.22Å; D593-R602 IonicContact OD1-CZ 2.76Å; D593-R602 IonicContact OD1-NH1 3.87Å; D593-R602 PolarHBondContact OD1-NH1 3.07Å; D593-R602 IonicContact OD1-NH2 3.36Å; D593-R602 IonicContact OD2-CZ 2.67Å; D593-R602 IonicContact OD2-NH1 3.8Å; D593-R602 PolarHBondContact OD2-NH1 2.86Å; D593-R602 IonicContact OD2-NH2 3.13Å; D593-R602 PolarHBondContact OD2-NH2 3Å; D593-F609 HydrophobicContact CB-CD2 4.34Å; D593-F609 HydrophobicContact CB-CE2 3.66Å; D593-F609 HydrophobicContact CB-CZ 4.4Å |
| 594 | P | 87.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | trans | -71.1 | -4.1 | 179.4 | 29 | -33.3 | 0 | 0 | 0 | 113.5 | A592 V615 L631 W643 V647 | A592-P594 VanDerWaalsContact O-CD 3.31Å; A592-P594 WeakPolarHBondContact O-CD 3.45Å; A592-P594 VanDerWaalsContact O-N 3.17Å; P594-V615 HydrophobicContact CG-CG2 4.12Å; P594-L631 HydrophobicContact CB-CD1 4.15Å; P594-W643 HydrophobicContact CG-CH2 4.48Å; P594-W643 HydrophobicContact CG-CZ2 3.86Å; P594-V647 HydrophobicContact CB-CG2 4.15Å; P594-V647 WeakPolarHBondContact O-CG2 3.23Å | ||
| 595 | G | 87.1 | Confident | 89 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | trans | 77.4 | 179 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D593 R602 Y617 | D593-G595 PolarHBondContact O-N 3.22Å; D593-G595 PolarHBondContact OD1-N 3.22Å; G595-R602 VanDerWaalsContact CA-NH1 3.28Å; G595-R602 WeakPolarHBondContact O-CD 3.09Å; G595-R602 PolarHBondContact O-NH1 3.32Å; G595-Y617 PolarHBondContact O-OH 3.01Å | ||
| 596 | E | 87.9 | Confident | 88.7 | Confident | 156 Ų | 156 | 65 Ų | 65 | 73% | 0.729 | 37% | 0.374 | S | S | * | . | trans | -96.8 | 157 | 178.4 | -68.2 | -175.4 | 179.6 | 0 | 0 | 111.4 | R602 | E596-R602 HydrophobicContact CG-CG 4.38Å; E596-R602 IonicContact OE1-NE 3.36Å | ||
| 597 | I | 90.5 | Very high | 88.1 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | trans | -109.8 | 140.8 | 178.4 | 63.7 | 173.7 | 0 | 0 | 0 | 110.7 | Y617 V647 P648 C650 | I597-Y617 HydrophobicContact CB-CD1 4.37Å; I597-Y617 HydrophobicContact CD1-CD1 3.58Å; I597-Y617 HydrophobicContact CD1-CG 4.07Å; I597-Y617 HydrophobicContact CG1-CD1 3.76Å; I597-Y617 HydrophobicContact CG1-CE1 4.31Å; I597-Y617 HydrophobicContact CG2-CD1 3.75Å; I597-Y617 HydrophobicContact CG2-CE1 3.67Å; I597-V647 HydrophobicContact CG2-CG1 3.46Å; I597-V647 VanDerWaalsContact CG2-CG1 3.46Å; I597-P648 WeakPolarHBondContact CG2-O 3.48Å; I597-C650 VanDerWaalsContact CD1-SG 3.55Å | ||
| 598 | A | 88.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 63 Ų | 63 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 141.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G600 C650 | A598-G600 PolarHBondContact O-N 3.44Å; A598-C650 WeakPolarHBondContact O-CB 3.02Å |
| 599 | N | 88.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.6 | -179.3 | -52.8 | -46.8 | 0 | 0 | 0 | 114.4 | L620 Y623 C650 | N599-L620 WeakPolarHBondContact O-CB 3.2Å; N599-L620 WeakPolarHBondContact O-CG 3.37Å; N599-L620 PolarHBondContact O-N 3.03Å; N599-Y623 HydrophobicContact CB-CD1 3.73Å; N599-Y623 HydrophobicContact CB-CD2 4.15Å; N599-Y623 HydrophobicContact CB-CE1 3.59Å; N599-Y623 HydrophobicContact CB-CE2 4.07Å; N599-Y623 HydrophobicContact CB-CG 4.01Å; N599-Y623 VanDerWaalsContact ND2-CE1 3.29Å; N599-Y623 WeakPolarHBondContact ND2-CE1 3.48Å; N599-C650 HydrophobicContact CB-CB 4.26Å |
| 600 | G | 88.4 | Confident | 87.9 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A598 R618 | A598-G600 PolarHBondContact O-N 3.44Å; G600-R618 CarbonylContact C-O 3.52Å; G600-R618 WeakPolarHBondContact CA-O 3.3Å |
| 601 | H | 90.1 | Very high | 87.9 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 40% | 0.398 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152 | 171.6 | 65.3 | -80.9 | 0 | 0 | 0 | 110.2 | R618 | H601-R618 WeakPolarHBondContact CE1-CB 3.44Å; H601-R618 PolarHBondContact N-O 3.4Å; H601-R618 PolarHBondContact ND1-O 3Å; H601-R618 PolarHBondContact O-N 2.96Å |
| 602 | R | 90.6 | Very high | 87.8 | Confident | 76 Ų | 76 | 62 Ų | 62 | 29% | 0.287 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 150 | 175.2 | 71.7 | -180 | -179.5 | 172.8 | 7.7 | 111 | D593 G595 E596 V615 Q616 Y617 | D593-R602 IonicContact OD1-CZ 2.76Å; D593-R602 IonicContact OD1-NH1 3.87Å; D593-R602 PolarHBondContact OD1-NH1 3.07Å; D593-R602 IonicContact OD1-NH2 3.36Å; D593-R602 IonicContact OD2-CZ 2.67Å; D593-R602 IonicContact OD2-NH1 3.8Å; D593-R602 PolarHBondContact OD2-NH1 2.86Å; D593-R602 IonicContact OD2-NH2 3.13Å; D593-R602 PolarHBondContact OD2-NH2 3Å; G595-R602 VanDerWaalsContact CA-NH1 3.28Å; G595-R602 WeakPolarHBondContact O-CD 3.09Å; G595-R602 PolarHBondContact O-NH1 3.32Å; E596-R602 HydrophobicContact CG-CG 4.38Å; E596-R602 IonicContact OE1-NE 3.36Å; R602-V615 HydrophobicContact CB-CG1 4.27Å; R602-Q616 CarbonylContact C-O 3.56Å; R602-Q616 VanDerWaalsContact CA-O 3.3Å; R602-Q616 WeakPolarHBondContact CA-O 3.15Å; R602-Y617 HydrophobicContact CB-CD1 3.78Å; R602-Y617 HydrophobicContact CB-CE1 3.6Å |
| 603 | T | 91.1 | Very high | 87.9 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 116.4 | 172.2 | -49.2 | 0 | 0 | 0 | 0 | 108.1 | Q616 | T603-Q616 PolarHBondContact N-O 3.16Å; T603-Q616 PolarHBondContact O-N 2.89Å |
| 604 | A | 89.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 145.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F609 V615 | A604-F609 HydrophobicContact CB-CE1 3.95Å; A604-V615 HydrophobicContact CB-CG2 4.23Å |
| 605 | S | 89.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 33% | 0.329 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -69.8 | -43.7 | 175.7 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | S613 H614 | S605-S613 WeakPolarHBondContact OG-CA 3.28Å; S605-H614 VanDerWaalsContact CB-CE1 3.48Å; S605-H614 WeakPolarHBondContact CB-CE1 3.42Å; S605-H614 PolarHBondContact N-O 2.91Å; S605-H614 PolarHBondContact OG-N 2.83Å; S605-H614 PolarHBondContact OG-O 2.7Å |
| 606 | D | 87.7 | Confident | 88.6 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -135.6 | 145.9 | -173.2 | -50.1 | -77.6 | 0 | 0 | 0 | 111.1 | P610 S613 | D606-P610 HydrophobicContact CB-CG 4.37Å; D606-S613 WeakPolarHBondContact CB-OG 3.4Å; D606-S613 PolarHBondContact OD2-OG 3.31Å |
| 607 | A | 76.7 | Confident | 88.8 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 89% | 0.893 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 125.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 608 | G | 78.4 | Confident | 88.9 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 46% | 0.464 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 3.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | T590 P610 | T590-G608 WeakPolarHBondContact CB-O 3.48Å; T590-G608 VanDerWaalsContact CG2-O 3.26Å; T590-G608 WeakPolarHBondContact CG2-O 3.46Å; G608-P610 VanDerWaalsContact C-CD 3.49Å |
| 609 | F | 90.3 | Very high | 89 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 11% | 0.114 | 33% | 0.331 | C | S | . | . | trans | 49.1 | 50.9 | 169 | -45 | -70.3 | 0 | 0 | 0 | 116.3 | T590 C591 D593 A604 V615 W643 | T590-F609 CarbonylContact C-O 3.47Å; T590-F609 VanDerWaalsContact CA-O 3.3Å; T590-F609 WeakPolarHBondContact CA-O 3.45Å; C591-F609 HydrophobicContact CB-CB 4.49Å; C591-F609 PolarHBondContact N-O 2.95Å; D593-F609 HydrophobicContact CB-CD2 4.34Å; D593-F609 HydrophobicContact CB-CE2 3.66Å; D593-F609 HydrophobicContact CB-CZ 4.4Å; A604-F609 HydrophobicContact CB-CE1 3.95Å; F609-V615 HydrophobicContact CD1-CG2 3.9Å; F609-V615 HydrophobicContact CE1-CG2 3.64Å; F609-W643 HydrophobicContact CB-CH2 3.9Å; F609-W643 HydrophobicContact CB-CZ2 3.74Å; F609-W643 AromaticContact CD1-CH2 3.66Å; F609-W643 HydrophobicContact CD1-CH2 3.66Å; F609-W643 AromaticContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CH2 4.02Å; F609-W643 AromaticContact CG-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CZ2 3.78Å | ||
| 610 | P | 89.3 | Confident | 89 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 160.3 | 170.3 | 27.3 | -35 | 0 | 0 | 0 | 112.4 | M589 T590 D606 G608 G612 S613 | M589-P610 CarbonylContact O-C 3.59Å; M589-P610 WeakPolarHBondContact O-CA 3.05Å; T590-P610 HydrophobicContact CG2-CB 4.49Å; D606-P610 HydrophobicContact CB-CG 4.37Å; G608-P610 VanDerWaalsContact C-CD 3.49Å; P610-G612 PolarHBondContact O-N 2.66Å; P610-S613 WeakPolarHBondContact CD-OG 3.32Å; P610-S613 WeakPolarHBondContact CG-OG 3.27Å; P610-S613 VanDerWaalsContact O-CB 3.25Å; P610-S613 WeakPolarHBondContact O-CB 3.28Å; P610-S613 PolarHBondContact O-N 3.32Å; P610-S613 PolarHBondContact O-OG 3.37Å; P610-S613 VanDerWaalsContact O-OG 3.12Å |
| 611 | V | 88.3 | Confident | 88.8 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 127.7 | 173 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | M589 P641 | M589-V611 HydrophobicContact CE-CG2 4.47Å; M589-V611 WeakPolarHBondContact O-CG2 3.45Å; M589-V611 PolarHBondContact O-N 3.45Å; V611-P641 HydrophobicContact CG2-CB 3.88Å; V611-P641 HydrophobicContact CG2-CG 3.86Å |
| 612 | G | 86.6 | Confident | 88 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -13.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | P610 C633 | P610-G612 PolarHBondContact O-N 2.66Å; G612-C633 PolarHBondContact N-O 2.8Å |
| 613 | S | 91 | Very high | 87.7 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | trans | -68.6 | 152.9 | 175.6 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | S605 D606 P610 T632 C633 | S605-S613 WeakPolarHBondContact OG-CA 3.28Å; D606-S613 WeakPolarHBondContact CB-OG 3.4Å; D606-S613 PolarHBondContact OD2-OG 3.31Å; P610-S613 WeakPolarHBondContact CD-OG 3.32Å; P610-S613 WeakPolarHBondContact CG-OG 3.27Å; P610-S613 VanDerWaalsContact O-CB 3.25Å; P610-S613 WeakPolarHBondContact O-CB 3.28Å; P610-S613 PolarHBondContact O-N 3.32Å; P610-S613 PolarHBondContact O-OG 3.37Å; P610-S613 VanDerWaalsContact O-OG 3.12Å; S613-T632 WeakPolarHBondContact O-CA 3.44Å; S613-C633 PolarHBondContact O-N 2.8Å | ||
| 614 | H | 92.4 | Very high | 87.4 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.5 | 179.6 | 56.1 | -86 | 0 | 0 | 0 | 112.9 | S605 M630 L631 T632 | S605-H614 VanDerWaalsContact CB-CE1 3.48Å; S605-H614 WeakPolarHBondContact CB-CE1 3.42Å; S605-H614 PolarHBondContact N-O 2.91Å; S605-H614 PolarHBondContact OG-N 2.83Å; S605-H614 PolarHBondContact OG-O 2.7Å; H614-M630 HydrophobicContact CB-CE 3.86Å; H614-M630 HydrophobicContact CB-CG 4.4Å; H614-M630 HydrophobicContact CB-SD 3.93Å; H614-L631 CarbonylContact C-O 3.55Å; H614-L631 WeakPolarHBondContact CA-O 3.47Å; H614-T632 HydrophobicContact CB-CG2 3.79Å |
| 615 | V | 92.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.8 | -179.9 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | P594 R602 A604 F609 Y617 M630 L631 W643 | P594-V615 HydrophobicContact CG-CG2 4.12Å; R602-V615 HydrophobicContact CB-CG1 4.27Å; A604-V615 HydrophobicContact CB-CG2 4.23Å; F609-V615 HydrophobicContact CD1-CG2 3.9Å; F609-V615 HydrophobicContact CE1-CG2 3.64Å; V615-Y617 HydrophobicContact CB-CE2 4.29Å; V615-Y617 HydrophobicContact CG1-CD2 4.32Å; V615-Y617 HydrophobicContact CG1-CE1 4.43Å; V615-Y617 HydrophobicContact CG1-CE2 3.66Å; V615-M630 WeakPolarHBondContact O-CA 3.43Å; V615-M630 WeakPolarHBondContact O-CE 3.1Å; V615-L631 PolarHBondContact N-O 2.9Å; V615-L631 PolarHBondContact O-N 2.93Å; V615-W643 HydrophobicContact CG2-CH2 3.69Å; V615-W643 HydrophobicContact CG2-CZ2 4.41Å; V615-W643 HydrophobicContact CG2-CZ3 4.02Å |
| 616 | Q | 92.7 | Very high | 87.2 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.7 | 179.8 | -156.8 | 173.5 | 35.5 | 0 | 0 | 110.9 | R602 T603 A629 M630 | R602-Q616 CarbonylContact C-O 3.56Å; R602-Q616 VanDerWaalsContact CA-O 3.3Å; R602-Q616 WeakPolarHBondContact CA-O 3.15Å; T603-Q616 PolarHBondContact N-O 3.16Å; T603-Q616 PolarHBondContact O-N 2.89Å; Q616-A629 WeakPolarHBondContact CA-O 3.36Å; Q616-A629 WeakPolarHBondContact CG-O 3.46Å; Q616-M630 HydrophobicContact CB-CE 3.35Å; Q616-M630 HydrophobicContact CG-CE 3.89Å |
| 617 | Y | 92.8 | Very high | 87.2 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138 | 176.6 | -69.6 | -80.9 | 0 | 0 | 0 | 110.7 | G595 I597 R602 V615 A629 L631 V647 P648 | G595-Y617 PolarHBondContact O-OH 3.01Å; I597-Y617 HydrophobicContact CB-CD1 4.37Å; I597-Y617 HydrophobicContact CD1-CD1 3.58Å; I597-Y617 HydrophobicContact CD1-CG 4.07Å; I597-Y617 HydrophobicContact CG1-CD1 3.76Å; I597-Y617 HydrophobicContact CG1-CE1 4.31Å; I597-Y617 HydrophobicContact CG2-CD1 3.75Å; I597-Y617 HydrophobicContact CG2-CE1 3.67Å; R602-Y617 HydrophobicContact CB-CD1 3.78Å; R602-Y617 HydrophobicContact CB-CE1 3.6Å; V615-Y617 HydrophobicContact CB-CE2 4.29Å; V615-Y617 HydrophobicContact CG1-CD2 4.32Å; V615-Y617 HydrophobicContact CG1-CE1 4.43Å; V615-Y617 HydrophobicContact CG1-CE2 3.66Å; Y617-A629 PolarHBondContact N-O 3.47Å; Y617-L631 HydrophobicContact CE2-CD1 3.84Å; Y617-L631 HydrophobicContact CE2-CG 4.07Å; Y617-V647 HydrophobicContact CE1-CG1 4.47Å; Y617-P648 HydrophobicContact CD1-CG 4.44Å; Y617-P648 HydrophobicContact CD2-CG 3.63Å; Y617-P648 HydrophobicContact CE2-CG 4.35Å; Y617-P648 HydrophobicContact CG-CG 3.68Å |
| 618 | R | 90.9 | Very high | 87.8 | Confident | 128 Ų | 128 | 55.5 Ų | 55.5 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128.7 | 178.2 | -67.1 | -178.6 | -170.4 | 172.5 | 5 | 109.9 | G600 H601 | G600-R618 CarbonylContact C-O 3.52Å; G600-R618 WeakPolarHBondContact CA-O 3.3Å; H601-R618 WeakPolarHBondContact CE1-CB 3.44Å; H601-R618 PolarHBondContact N-O 3.4Å; H601-R618 PolarHBondContact ND1-O 3Å; H601-R618 PolarHBondContact O-N 2.96Å |
| 619 | C | 90.6 | Very high | 88.3 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 153.6 | 179 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | Y623 L625 C650 | C619-Y623 WeakPolarHBondContact CB-O 3.26Å; C619-L625 VanDerWaalsContact SG-CA 3.5Å; C619-C650 WeakPolarHBondContact CA-SG 3.13Å; C619-C650 HydrophobicContact CB-CB 3.82Å; C619-C650 WeakPolarHBondContact CB-SG 3.46Å; C619-C650 WeakPolarHBondContact SG-CA 3.49Å; C619-C650 WeakPolarHBondContact SG-CB 3.37Å; C619-C650 CovalentContact SG-SG 2.03Å; C619-C650 PolarHBondContact SG-SG 2.76Å |
| 620 | L | 88.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 41% | 0.414 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 157.7 | 170.7 | -66.3 | 176.2 | 0 | 0 | 0 | 110.6 | N599 G622 Y623 | N599-L620 WeakPolarHBondContact O-CB 3.2Å; N599-L620 WeakPolarHBondContact O-CG 3.37Å; N599-L620 PolarHBondContact O-N 3.03Å; L620-G622 PolarHBondContact O-N 2.71Å; L620-Y623 HydrophobicContact CB-CD2 4.41Å; L620-Y623 WeakPolarHBondContact O-CB 3.45Å; L620-Y623 PolarHBondContact O-N 3.33Å; L620-Y623 VanDerWaalsContact O-N 3.1Å |
| 621 | P | 84.5 | Confident | 88.5 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 83% | 0.825 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.4 | 177.2 | -25.8 | 34.9 | 0 | 0 | 0 | 112.5 | ||
| 622 | G | 74.1 | Confident | 88.7 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -7.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L620 K653 | L620-G622 PolarHBondContact O-N 2.71Å; G622-K653 PolarHBondContact O-N 2.03Å |
| 623 | Y | 84.1 | Confident | 89 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142 | 176.8 | -63.3 | -103.4 | 0 | 0 | 0 | 111.1 | N599 C619 L620 C650 A651 L652 | N599-Y623 HydrophobicContact CB-CD1 3.73Å; N599-Y623 HydrophobicContact CB-CD2 4.15Å; N599-Y623 HydrophobicContact CB-CE1 3.59Å; N599-Y623 HydrophobicContact CB-CE2 4.07Å; N599-Y623 HydrophobicContact CB-CG 4.01Å; N599-Y623 VanDerWaalsContact ND2-CE1 3.29Å; N599-Y623 WeakPolarHBondContact ND2-CE1 3.48Å; C619-Y623 WeakPolarHBondContact CB-O 3.26Å; L620-Y623 HydrophobicContact CB-CD2 4.41Å; L620-Y623 WeakPolarHBondContact O-CB 3.45Å; L620-Y623 PolarHBondContact O-N 3.33Å; L620-Y623 VanDerWaalsContact O-N 3.1Å; Y623-C650 HydrophobicContact CD1-CB 4.34Å; Y623-A651 CarbonylContact C-O 3.55Å; Y623-A651 WeakPolarHBondContact CA-O 3.47Å; Y623-L652 HydrophobicContact CD1-CD2 4.1Å; Y623-L652 HydrophobicContact CD1-CG 3.91Å; Y623-L652 HydrophobicContact CD2-CD2 4.34Å; Y623-L652 HydrophobicContact CE1-CB 4.45Å; Y623-L652 HydrophobicContact CE1-CD1 4.23Å; Y623-L652 HydrophobicContact CE1-CD2 3.62Å; Y623-L652 HydrophobicContact CE1-CG 3.41Å; Y623-L652 VanDerWaalsContact CE1-CG 3.41Å; Y623-L652 HydrophobicContact CE2-CD2 3.86Å; Y623-L652 HydrophobicContact CG-CD2 4.44Å; Y623-L652 VanDerWaalsContact CZ-CD2 3.45Å |
| 624 | S | 83.8 | Confident | 88.9 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.8 | 171.9 | 49 | 0 | 0 | 0 | 0 | 111.3 | A651 | S624-A651 PolarHBondContact N-O 2.77Å; S624-A651 PolarHBondContact O-N 2.78Å |
| 625 | L | 88.1 | Confident | 88.6 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.4 | -178.5 | -167.5 | 128.1 | 0 | 0 | 0 | 110.8 | C619 G627 A629 P648 | C619-L625 VanDerWaalsContact SG-CA 3.5Å; L625-G627 VanDerWaalsContact CD2-O 3.28Å; L625-G627 WeakPolarHBondContact CD2-O 3.39Å; L625-A629 HydrophobicContact CD2-CB 3.93Å; L625-P648 HydrophobicContact CD1-CB 4.25Å; L625-P648 HydrophobicContact CD1-CG 4.21Å; L625-P648 HydrophobicContact CD2-CB 3.96Å; L625-P648 HydrophobicContact CG-CB 4.04Å |
| 626 | E | 88.6 | Confident | 88 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 108.5 | 174 | -65.8 | -176.2 | 168.9 | 0 | 0 | 109.1 | P648 K649 A651 | E626-P648 WeakPolarHBondContact O-CA 3.49Å; E626-P648 WeakPolarHBondContact O-CB 3.02Å; E626-K649 PolarHBondContact N-O 2.95Å; E626-K649 PolarHBondContact O-N 2.94Å; E626-A651 VanDerWaalsContact CD-CB 3.46Å; E626-A651 HydrophobicContact CG-CB 4.04Å; E626-A651 VanDerWaalsContact OE1-CB 3.23Å; E626-A651 WeakPolarHBondContact OE1-CB 3.19Å |
| 627 | G | 86.9 | Confident | 86.9 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 120.8 | -165.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L625 A629 | L625-G627 VanDerWaalsContact CD2-O 3.28Å; L625-G627 WeakPolarHBondContact CD2-O 3.39Å; G627-A629 PolarHBondContact O-N 3.19Å |
| 628 | A | 90.1 | Very high | 85.6 | Confident | 28 Ų | 28 | 73 Ų | 73 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | trans | -72.5 | 123.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | M630 L631 D645 P648 | A628-M630 PolarHBondContact O-N 3.04Å; A628-L631 HydrophobicContact CB-CD2 4.12Å; A628-D645 HydrophobicContact CB-CB 3.9Å; A628-P648 WeakPolarHBondContact O-CG 3.22Å | ||
| 629 | A | 88.4 | Confident | 84.9 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -71 | -15 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q616 Y617 L625 G627 | Q616-A629 WeakPolarHBondContact CA-O 3.36Å; Q616-A629 WeakPolarHBondContact CG-O 3.46Å; Y617-A629 PolarHBondContact N-O 3.47Å; L625-A629 HydrophobicContact CD2-CB 3.93Å; G627-A629 PolarHBondContact O-N 3.19Å |
| 630 | M | 92.1 | Very high | 84.5 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 118.6 | -175 | 178.7 | 101.2 | -72.3 | 0 | 0 | 109.1 | H614 V615 Q616 A628 | H614-M630 HydrophobicContact CB-CE 3.86Å; H614-M630 HydrophobicContact CB-CG 4.4Å; H614-M630 HydrophobicContact CB-SD 3.93Å; V615-M630 WeakPolarHBondContact O-CA 3.43Å; V615-M630 WeakPolarHBondContact O-CE 3.1Å; Q616-M630 HydrophobicContact CB-CE 3.35Å; Q616-M630 HydrophobicContact CG-CE 3.89Å; A628-M630 PolarHBondContact O-N 3.04Å |
| 631 | L | 92.7 | Very high | 84.5 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136 | 171.3 | -58.5 | -174.3 | 0 | 0 | 0 | 109.7 | P594 H614 V615 Y617 A628 W643 D645 | P594-L631 HydrophobicContact CB-CD1 4.15Å; H614-L631 CarbonylContact C-O 3.55Å; H614-L631 WeakPolarHBondContact CA-O 3.47Å; V615-L631 PolarHBondContact N-O 2.9Å; V615-L631 PolarHBondContact O-N 2.93Å; Y617-L631 HydrophobicContact CE2-CD1 3.84Å; Y617-L631 HydrophobicContact CE2-CG 4.07Å; A628-L631 HydrophobicContact CB-CD2 4.12Å; L631-W643 HydrophobicContact CB-CD2 4.43Å; L631-W643 HydrophobicContact CB-CE3 3.8Å; L631-W643 HydrophobicContact CB-CZ3 4.39Å; L631-D645 HydrophobicContact CD2-CB 3.53Å |
| 632 | T | 92.1 | Very high | 84.8 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.202 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.3 | 177.9 | 2.9 | 0 | 0 | 0 | 0 | 110.2 | S613 H614 Y634 W643 S644 | S613-T632 WeakPolarHBondContact O-CA 3.44Å; H614-T632 HydrophobicContact CB-CG2 3.79Å; T632-Y634 HydrophobicContact CG2-CE2 4.47Å; T632-Y634 VanDerWaalsContact O-CD2 3.25Å; T632-Y634 WeakPolarHBondContact O-CD2 3.46Å; T632-Y634 WeakPolarHBondContact OG1-CE2 3.4Å; T632-Y634 PolarHBondContact OG1-OH 3.2Å; T632-W643 VanDerWaalsContact C-CE3 3.46Å; T632-W643 CarbonylContact O-C 3.41Å; T632-W643 WeakPolarHBondContact O-CA 3.38Å; T632-S644 PolarHBondContact N-OG 3.26Å; T632-S644 PolarHBondContact O-N 2.99Å |
| 633 | C | 92.9 | Very high | 85.6 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.3 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | C591 G612 S613 W643 | C591-C633 HydrophobicContact CB-CB 3.86Å; C591-C633 WeakPolarHBondContact CB-SG 3.3Å; C591-C633 VanDerWaalsContact SG-CA 3.54Å; C591-C633 WeakPolarHBondContact SG-CB 3.31Å; C591-C633 CovalentContact SG-SG 2.03Å; C591-C633 PolarHBondContact SG-SG 2.96Å; G612-C633 PolarHBondContact N-O 2.8Å; S613-C633 PolarHBondContact O-N 2.8Å; C633-W643 HydrophobicContact CB-CE3 4.03Å; C633-W643 HydrophobicContact CB-CH2 3.99Å; C633-W643 HydrophobicContact CB-CZ3 3.73Å |
| 634 | Y | 89.1 | Confident | 85.9 | Confident | 136 Ų | 136 | 65.6 Ų | 65.6 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140 | 178.9 | -66.8 | -88.8 | 0 | 0 | 0 | 111 | T632 P641 K642 | T632-Y634 HydrophobicContact CG2-CE2 4.47Å; T632-Y634 VanDerWaalsContact O-CD2 3.25Å; T632-Y634 WeakPolarHBondContact O-CD2 3.46Å; T632-Y634 WeakPolarHBondContact OG1-CE2 3.4Å; T632-Y634 PolarHBondContact OG1-OH 3.2Å; Y634-P641 WeakPolarHBondContact O-CA 3.34Å; Y634-K642 PolarHBondContact N-O 2.74Å; Y634-K642 PolarHBondContact O-N 3.03Å |
| 635 | S | 85.2 | Confident | 86.2 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | trans | -72.3 | 149.2 | 170.1 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 636 | R | 80.4 | Confident | 86.3 | Confident | 128 Ų | 128 | 76.6 Ų | 76.6 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | trans | -119 | 141.7 | 170.2 | -152.3 | 168 | 75.6 | -168.7 | 6 | 109.1 | T638 | R636-T638 VanDerWaalsContact C-N 3.29Å; R636-T638 VanDerWaalsContact CZ-O 3.26Å; R636-T638 PolarHBondContact NE-O 2.93Å; R636-T638 PolarHBondContact NH2-O 3.32Å; R636-T638 PolarHBondContact O-N 3.29Å | ||
| 637 | D | 69.6 | Low | 86.4 | Confident | 154 Ų | 154 | 74 Ų | 74 | 82% | 0.824 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -66.4 | -36.1 | 179 | -61.5 | -40.7 | 0 | 0 | 0 | 111.2 | ||
| 638 | T | 64.9 | Low | 86.6 | Confident | 114 Ų | 114 | 71.3 Ų | 71.3 | 70% | 0.699 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -121.6 | 92.1 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | R636 | R636-T638 VanDerWaalsContact C-N 3.29Å; R636-T638 VanDerWaalsContact CZ-O 3.26Å; R636-T638 PolarHBondContact NE-O 2.93Å; R636-T638 PolarHBondContact NH2-O 3.32Å; R636-T638 PolarHBondContact O-N 3.29Å |
| 639 | G | 75.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 121.5 | -169.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 640 | T | 83.9 | Confident | 86.8 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -72.4 | 145.2 | -175.7 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | I588 | I588-T640 HydrophobicContact CD1-CG2 3.78Š|
| 641 | P | 87.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | trans | -53 | 143.1 | 170 | -26.1 | 35.1 | 0 | 0 | 0 | 111.9 | I588 C591 V611 Y634 | I588-P641 WeakPolarHBondContact O-CD 3.44Å; I588-P641 WeakPolarHBondContact O-CG 3.34Å; C591-P641 VanDerWaalsContact SG-C 3.6Å; V611-P641 HydrophobicContact CG2-CB 3.88Å; V611-P641 HydrophobicContact CG2-CG 3.86Å; Y634-P641 WeakPolarHBondContact O-CA 3.34Å | ||
| 642 | K | 89.9 | Confident | 85.6 | Confident | 144 Ų | 144 | 77 Ų | 77 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.5 | -175.2 | -166.5 | -170.6 | 170.9 | -170.9 | 0 | 111.2 | C591 Y634 | C591-K642 VanDerWaalsContact SG-C 3.57Å; Y634-K642 PolarHBondContact N-O 2.74Å; Y634-K642 PolarHBondContact O-N 3.03Å |
| 643 | W | 91.8 | Very high | 84.5 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.6 | 168.4 | -64.1 | 108 | 0 | 0 | 0 | 112.2 | C591 A592 P594 F609 V615 L631 T632 C633 D645 | C591-W643 HydrophobicContact CB-CD2 4.13Å; C591-W643 VanDerWaalsContact CB-CE2 3.48Å; C591-W643 HydrophobicContact CB-CH2 4.37Å; C591-W643 HydrophobicContact CB-CZ2 3.62Å; A592-W643 PolarHBondContact O-NE1 3.13Å; P594-W643 HydrophobicContact CG-CH2 4.48Å; P594-W643 HydrophobicContact CG-CZ2 3.86Å; F609-W643 HydrophobicContact CB-CH2 3.9Å; F609-W643 HydrophobicContact CB-CZ2 3.74Å; F609-W643 AromaticContact CD1-CH2 3.66Å; F609-W643 HydrophobicContact CD1-CH2 3.66Å; F609-W643 AromaticContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CH2 4.02Å; F609-W643 AromaticContact CG-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CZ2 3.78Å; V615-W643 HydrophobicContact CG2-CH2 3.69Å; V615-W643 HydrophobicContact CG2-CZ2 4.41Å; V615-W643 HydrophobicContact CG2-CZ3 4.02Å; L631-W643 HydrophobicContact CB-CD2 4.43Å; L631-W643 HydrophobicContact CB-CE3 3.8Å; L631-W643 HydrophobicContact CB-CZ3 4.39Å; T632-W643 VanDerWaalsContact C-CE3 3.46Å; T632-W643 CarbonylContact O-C 3.41Å; T632-W643 WeakPolarHBondContact O-CA 3.38Å; C633-W643 HydrophobicContact CB-CE3 4.03Å; C633-W643 HydrophobicContact CB-CH2 3.99Å; C633-W643 HydrophobicContact CB-CZ3 3.73Å; W643-D645 PolarHBondContact O-N 2.83Å |
| 644 | S | 90.7 | Very high | 83.5 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 34% | 0.343 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -51.3 | -43 | 175.7 | 44 | 0 | 0 | 0 | 0 | 113.3 | T632 | T632-S644 PolarHBondContact N-OG 3.26Å; T632-S644 PolarHBondContact O-N 2.99Å |
| 645 | D | 90.1 | Very high | 82.9 | Confident | 101 Ų | 101 | 85.7 Ų | 85.7 | 54% | 0.54 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -141.6 | 172.5 | -170.7 | -93.3 | -58.2 | 0 | 0 | 0 | 112 | A628 L631 W643 | A628-D645 HydrophobicContact CB-CB 3.9Å; L631-D645 HydrophobicContact CD2-CB 3.53Å; W643-D645 PolarHBondContact O-N 2.83Å |
| 646 | R | 89.7 | Confident | 82.7 | Confident | 228 Ų | 228 | 84.5 Ų | 84.5 | 86% | 0.86 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 155.9 | 172.8 | -59.5 | -175 | -174.5 | -169.6 | 1.9 | 110.6 | ||
| 647 | V | 90.9 | Very high | 82.9 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 127 | 178.8 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | P594 I597 Y617 | P594-V647 HydrophobicContact CB-CG2 4.15Å; P594-V647 WeakPolarHBondContact O-CG2 3.23Å; I597-V647 HydrophobicContact CG2-CG1 3.46Å; I597-V647 VanDerWaalsContact CG2-CG1 3.46Å; Y617-V647 HydrophobicContact CE1-CG1 4.47Å |
| 648 | P | 91.5 | Very high | 83.6 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 166.6 | -177.5 | 31.6 | -37.5 | 0 | 0 | 0 | 112.7 | I597 Y617 L625 E626 A628 | I597-P648 WeakPolarHBondContact CG2-O 3.48Å; Y617-P648 HydrophobicContact CD1-CG 4.44Å; Y617-P648 HydrophobicContact CD2-CG 3.63Å; Y617-P648 HydrophobicContact CE2-CG 4.35Å; Y617-P648 HydrophobicContact CG-CG 3.68Å; L625-P648 HydrophobicContact CD1-CB 4.25Å; L625-P648 HydrophobicContact CD1-CG 4.21Å; L625-P648 HydrophobicContact CD2-CB 3.96Å; L625-P648 HydrophobicContact CG-CB 4.04Å; E626-P648 WeakPolarHBondContact O-CA 3.49Å; E626-P648 WeakPolarHBondContact O-CB 3.02Å; A628-P648 WeakPolarHBondContact O-CG 3.22Å |
| 649 | K | 91.1 | Very high | 84.6 | Confident | 152 Ų | 152 | 73.2 Ų | 73.2 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 146.8 | 177.8 | -64.6 | -179.4 | -177.5 | 178 | 0 | 111.4 | E626 | E626-K649 PolarHBondContact N-O 2.95Å; E626-K649 PolarHBondContact O-N 2.94Å |
| 650 | C | 90.3 | Very high | 85.1 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 109.3 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 109.9 | I597 A598 N599 C619 Y623 | I597-C650 VanDerWaalsContact CD1-SG 3.55Å; A598-C650 WeakPolarHBondContact O-CB 3.02Å; N599-C650 HydrophobicContact CB-CB 4.26Å; C619-C650 WeakPolarHBondContact CA-SG 3.13Å; C619-C650 HydrophobicContact CB-CB 3.82Å; C619-C650 WeakPolarHBondContact CB-SG 3.46Å; C619-C650 WeakPolarHBondContact SG-CA 3.49Å; C619-C650 WeakPolarHBondContact SG-CB 3.37Å; C619-C650 CovalentContact SG-SG 2.03Å; C619-C650 PolarHBondContact SG-SG 2.76Å; Y623-C650 HydrophobicContact CD1-CB 4.34Å |
| 651 | A | 84 | Confident | 85 | Confident | 24 Ų | 24 | 72.7 Ų | 72.7 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y623 S624 E626 K653 | Y623-A651 CarbonylContact C-O 3.55Å; Y623-A651 WeakPolarHBondContact CA-O 3.47Å; S624-A651 PolarHBondContact N-O 2.77Å; S624-A651 PolarHBondContact O-N 2.78Å; E626-A651 VanDerWaalsContact CD-CB 3.46Å; E626-A651 HydrophobicContact CG-CB 4.04Å; E626-A651 VanDerWaalsContact OE1-CB 3.23Å; E626-A651 WeakPolarHBondContact OE1-CB 3.19Å; A651-K653 PolarHBondContact O-N 2.8Å |
| 652 | L | 77.3 | Confident | 84.8 | Confident | 71 Ų | 71 | 76.2 Ų | 76.2 | 37% | 0.372 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 132.3 | 176 | -84 | 158.5 | 0 | 0 | 0 | 110.3 | Y623 | Y623-L652 HydrophobicContact CD1-CD2 4.1Å; Y623-L652 HydrophobicContact CD1-CG 3.91Å; Y623-L652 HydrophobicContact CD2-CD2 4.34Å; Y623-L652 HydrophobicContact CE1-CB 4.45Å; Y623-L652 HydrophobicContact CE1-CD1 4.23Å; Y623-L652 HydrophobicContact CE1-CD2 3.62Å; Y623-L652 HydrophobicContact CE1-CG 3.41Å; Y623-L652 VanDerWaalsContact CE1-CG 3.41Å; Y623-L652 HydrophobicContact CE2-CD2 3.86Å; Y623-L652 HydrophobicContact CG-CD2 4.44Å; Y623-L652 VanDerWaalsContact CZ-CD2 3.45Å |
| 653 | K | 68.6 | Low | 84.5 | Confident | 143 Ų | 143 | 70 Ų | 70 | 62% | 0.622 | 36% | 0.357 | S | S | * | . | trans | -100.7 | 110.6 | 174.4 | -171.1 | 174.9 | -178.7 | 179.3 | 0 | 109.6 | G622 A651 H703 | G622-K653 PolarHBondContact O-N 2.03Å; A651-K653 PolarHBondContact O-N 2.8Å; K653-H703 PolarHBondContact O-CE1 3.31Å | ||
| 654 | Y | 72.1 | Confident | 84 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 140.5 | 176.1 | -57.8 | -69.8 | 0 | 0 | 0 | 111.3 | A677 P701 | Y654-A677 HydrophobicContact CD2-CB 4Å; Y654-A677 HydrophobicContact CG-CB 3.97Å; Y654-P701 HydrophobicContact CD1-CB 3.7Å; Y654-P701 HydrophobicContact CD2-CB 4.1Å; Y654-P701 HydrophobicContact CE1-CB 3.5Å; Y654-P701 VanDerWaalsContact CE1-CB 3.5Å; Y654-P701 HydrophobicContact CE2-CB 3.92Å; Y654-P701 HydrophobicContact CG-CB 4Å |
| 655 | E | 76.4 | Confident | 83.5 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 135.9 | 167.7 | -73 | -179.1 | 173.7 | 0 | 0 | 109.2 | S705 | E655-S705 WeakPolarHBondContact O-CB 3.34Å; E655-S705 PolarHBondContact O-OG 2.94Å |
| 656 | P | 80.4 | Confident | 83.2 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 148.1 | -175.2 | 30.9 | -35.7 | 0 | 0 | 0 | 111.9 | H674 Y675 | P656-H674 HydrophobicContact CB-CB 3.92Å; P656-H674 HydrophobicContact CG-CB 3.9Å; P656-Y675 CarbonylContact C-O 3.53Å; P656-Y675 WeakPolarHBondContact CA-O 3.35Å; P656-Y675 WeakPolarHBondContact CB-O 3.49Å |
| 657 | C | 84.3 | Confident | 83 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.02 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.7 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | H674 Y675 C699 S705 W707 | C657-H674 CarbonylContact O-C 3.41Å; C657-H674 WeakPolarHBondContact O-CA 3.46Å; C657-Y675 PolarHBondContact N-O 2.86Å; C657-Y675 PolarHBondContact O-N 2.75Å; C657-C699 HydrophobicContact CB-CB 3.81Å; C657-C699 WeakPolarHBondContact CB-SG 3.2Å; C657-C699 VanDerWaalsContact SG-CA 3.57Å; C657-C699 WeakPolarHBondContact SG-CB 3.45Å; C657-C699 CovalentContact SG-SG 2.03Å; C657-C699 PolarHBondContact SG-SG 3.32Å; C657-S705 VanDerWaalsContact SG-CB 3.54Å; C657-S705 PolarHBondContact SG-O 3.47Å; C657-W707 HydrophobicContact CB-CD2 4.25Å; C657-W707 HydrophobicContact CB-CZ2 3.76Å |
| 658 | L | 85.6 | Confident | 82.9 | Confident | 120 Ų | 120 | 65.9 Ų | 65.9 | 63% | 0.628 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 152.9 | 169.9 | -75.4 | 163.1 | 0 | 0 | 0 | 110.8 | W707 | L658-W707 PolarHBondContact O-NE1 3.44Å |
| 659 | N | 85.4 | Confident | 82.7 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 124.2 | 175.3 | -165 | -55 | 0 | 0 | 0 | 110.9 | G661 Q668 K672 H673 Y675 | N659-G661 PolarHBondContact O-N 3.49Å; N659-G661 PolarHBondContact OD1-N 2.94Å; N659-Q668 PolarHBondContact ND2-NE2 3.48Å; N659-K672 WeakPolarHBondContact CB-O 3.5Å; N659-K672 PolarHBondContact ND2-O 3.2Å; N659-H673 PolarHBondContact N-O 2.86Å; N659-Y675 HydrophobicContact CB-CE2 4.28Å |
| 660 | P | 85.1 | Confident | 82.3 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | trans | -77.5 | -6.5 | -175 | 36.5 | -41.4 | 0 | 0 | 0 | 113.6 | L681 F683 I697 W707 P711 | P660-L681 HydrophobicContact CG-CD2 4.01Å; P660-F683 HydrophobicContact CG-CZ 4.11Å; P660-I697 HydrophobicContact CB-CD1 4.32Å; P660-I697 HydrophobicContact CG-CD1 3.86Å; P660-W707 HydrophobicContact CG-CZ2 4.45Å; P660-P711 HydrophobicContact CB-CG 3.88Å; P660-P711 HydrophobicContact CG-CG 4.41Å | ||
| 661 | G | 81.8 | Confident | 82.1 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | trans | 90.1 | 166.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N659 F683 | N659-G661 PolarHBondContact O-N 3.49Å; N659-G661 PolarHBondContact OD1-N 2.94Å; G661-F683 WeakPolarHBondContact O-CE1 3.18Å | ||
| 662 | V | 84.7 | Confident | 82.1 | Confident | 86 Ų | 86 | 74.9 Ų | 74.9 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 140.9 | 179.1 | -67.5 | 0 | 0 | 0 | 0 | 111 | Q668 | V662-Q668 HydrophobicContact CG1-CB 3.95Å; V662-Q668 HydrophobicContact CG1-CG 3.69Å |
| 663 | P | 83.6 | Confident | 82.3 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 152 | 177.4 | 28.9 | -33.3 | 0 | 0 | 0 | 112.9 | N665 G666 F683 P712 | P663-N665 PolarHBondContact O-N 2.68Å; P663-G666 PolarHBondContact O-N 2.82Å; P663-G666 VanDerWaalsContact O-N 3.07Å; P663-F683 HydrophobicContact CG-CD1 4.27Å; P663-P712 WeakPolarHBondContact CB-O 2.94Å; P663-P712 VanDerWaalsContact CG-O 3.29Å; P663-P712 WeakPolarHBondContact CG-O 3.08Å |
| 664 | E | 79.6 | Confident | 83.1 | Confident | 169 Ų | 169 | 75.4 Ų | 75.4 | 79% | 0.79 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 130.3 | 178 | -163.3 | 171.3 | -169.7 | 0 | 0 | 110 | G666 | E664-G666 VanDerWaalsContact C-N 3.32Å; E664-G666 PolarHBondContact O-N 3.2Å |
| 665 | N | 80.1 | Confident | 83.7 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 30.1 | -170.6 | -51.8 | -49.2 | 0 | 0 | 0 | 115.2 | P663 Y686 F689 | P663-N665 PolarHBondContact O-N 2.68Å; N665-Y686 WeakPolarHBondContact O-CD2 3.5Å; N665-Y686 PolarHBondContact O-N 3.4Å; N665-F689 HydrophobicContact CB-CD1 4.38Å; N665-F689 HydrophobicContact CB-CD2 4.32Å; N665-F689 HydrophobicContact CB-CE1 4.21Å; N665-F689 HydrophobicContact CB-CE2 4.15Å; N665-F689 HydrophobicContact CB-CG 4.44Å; N665-F689 HydrophobicContact CB-CZ 4.09Å |
| 666 | G | 84 | Confident | 84.1 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 9% | 0.093 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 179.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P663 E664 F684 | P663-G666 PolarHBondContact O-N 2.82Å; P663-G666 VanDerWaalsContact O-N 3.07Å; E664-G666 VanDerWaalsContact C-N 3.32Å; E664-G666 PolarHBondContact O-N 3.2Å; G666-F684 CarbonylContact C-O 3.41Å; G666-F684 WeakPolarHBondContact CA-O 3.29Å |
| 667 | Y | 86.9 | Confident | 84 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.6 | 175.6 | 66.9 | -85.8 | 0 | 0 | 0 | 111.6 | F683 F684 Y686 | Y667-F683 WeakPolarHBondContact O-CA 3.18Å; Y667-F684 HydrophobicContact CD1-CB 4.06Å; Y667-F684 HydrophobicContact CD2-CB 4.37Å; Y667-F684 HydrophobicContact CD2-CD2 4.17Å; Y667-F684 HydrophobicContact CE1-CB 3.54Å; Y667-F684 HydrophobicContact CE1-CG 4.43Å; Y667-F684 HydrophobicContact CE2-CB 3.89Å; Y667-F684 AromaticContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CE2 4.37Å; Y667-F684 HydrophobicContact CE2-CG 4.04Å; Y667-F684 HydrophobicContact CG-CB 4.44Å; Y667-F684 VanDerWaalsContact CZ-CB 3.44Å; Y667-F684 AromaticContact CZ-CD2 3.82Å; Y667-F684 AromaticContact CZ-CG 3.85Å; Y667-F684 PolarHBondContact N-O 3.1Å; Y667-F684 PolarHBondContact O-N 3.25Å; Y667-Y686 HydrophobicContact CD1-CD1 4.16Å; Y667-Y686 AromaticContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CE1-CD1 4.45Å; Y667-Y686 HydrophobicContact CE1-CE1 4.27Å |
| 668 | Q | 89.1 | Confident | 83.8 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 154.3 | 177.4 | 73.2 | -170.9 | 9.4 | 0 | 0 | 111.9 | N659 V662 L670 L681 R682 F683 | N659-Q668 PolarHBondContact ND2-NE2 3.48Å; V662-Q668 HydrophobicContact CG1-CB 3.95Å; V662-Q668 HydrophobicContact CG1-CG 3.69Å; Q668-L670 PolarHBondContact NE2-O 3.01Å; Q668-L681 HydrophobicContact CB-CD1 4.24Å; Q668-L681 HydrophobicContact CG-CD1 4.46Å; Q668-R682 WeakPolarHBondContact CA-O 3.04Å; Q668-F683 HydrophobicContact CB-CD1 3.78Å; Q668-F683 HydrophobicContact CB-CE1 3.78Å |
| 669 | T | 85.8 | Confident | 83.9 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -62.7 | -42.7 | -177.8 | 35.9 | 0 | 0 | 0 | 0 | 114.9 | R682 F684 | T669-R682 HydrophobicContact CG2-CB 3.79Å; T669-R682 HydrophobicContact CG2-CG 4.24Å; T669-R682 PolarHBondContact N-O 2.83Å; T669-R682 PolarHBondContact OG1-N 2.88Å; T669-R682 PolarHBondContact OG1-O 2.97Å; T669-F684 HydrophobicContact CG2-CD2 4.31Å; T669-F684 HydrophobicContact CG2-CE2 3.46Å; T669-F684 VanDerWaalsContact CG2-CE2 3.46Å; T669-F684 HydrophobicContact CG2-CZ 4.27Å |
| 670 | L | 83.6 | Confident | 84 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | trans | -142.6 | 142 | -176.4 | -163.5 | 73.2 | 0 | 0 | 0 | 109.2 | Q668 K672 Y675 L681 | Q668-L670 PolarHBondContact NE2-O 3.01Å; L670-K672 HydrophobicContact CD2-CD 4.39Å; L670-K672 HydrophobicContact CD2-CG 4.2Å; L670-Y675 PolarHBondContact O-OH 3Å; L670-L681 WeakPolarHBondContact O-CD1 3.07Å | ||
| 671 | Y | 85.2 | Confident | 84.2 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 58% | 0.576 | 37% | 0.369 | S | S | * | . | trans | -105.6 | 113.9 | 172.1 | -178.5 | -87.2 | 0 | 0 | 0 | 109.9 | H673 | Y671-H673 AromaticContact CE1-CE1 3.8Å; Y671-H673 AromaticContact CE1-NE2 3.85Å; Y671-H673 AromaticContact CZ-CE1 3.81Å; Y671-H673 PolarHBondContact OH-CE1 2.81Å; Y671-H673 PolarHBondContact OH-ND1 2.88Å | ||
| 672 | K | 84.3 | Confident | 84.6 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | trans | -123.3 | 147.8 | 162.2 | -56.9 | -175.6 | -174.3 | 175.7 | 0 | 109.3 | N659 L670 H674 Y675 E679 | N659-K672 WeakPolarHBondContact CB-O 3.5Å; N659-K672 PolarHBondContact ND2-O 3.2Å; L670-K672 HydrophobicContact CD2-CD 4.39Å; L670-K672 HydrophobicContact CD2-CG 4.2Å; K672-H674 VanDerWaalsContact C-N 3.29Å; K672-H674 WeakPolarHBondContact CB-O 3.42Å; K672-Y675 HydrophobicContact CB-CD1 4.33Å; K672-Y675 HydrophobicContact CB-CD2 4.34Å; K672-Y675 HydrophobicContact CB-CE1 3.89Å; K672-Y675 HydrophobicContact CB-CE2 3.93Å; K672-Y675 HydrophobicContact CD-CD1 3.97Å; K672-Y675 HydrophobicContact CD-CE1 3.86Å; K672-Y675 HydrophobicContact CG-CD1 4.42Å; K672-Y675 HydrophobicContact CG-CE1 3.88Å; K672-Y675 PolarHBondContact N-OH 3.3Å; K672-Y675 VanDerWaalsContact O-CE2 3.31Å; K672-Y675 WeakPolarHBondContact O-CE2 3.32Å; K672-E679 VanDerWaalsContact NZ-CD 3.25Å; K672-E679 IonicContact NZ-OE1 2.68Å; K672-E679 PolarHBondContact NZ-OE1 2.9Å; K672-E679 IonicContact NZ-OE2 2.94Å; K672-E679 PolarHBondContact NZ-OE2 2.96Å | ||
| 673 | H | 81.1 | Confident | 84.8 | Confident | 121 Ų | 121 | 69.5 Ų | 69.5 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -68.4 | -32.4 | 170.6 | -74 | -69 | 0 | 0 | 0 | 112 | N659 Y671 | N659-H673 PolarHBondContact N-O 2.86Å; Y671-H673 AromaticContact CE1-CE1 3.8Å; Y671-H673 AromaticContact CE1-NE2 3.85Å; Y671-H673 AromaticContact CZ-CE1 3.81Å; Y671-H673 PolarHBondContact OH-CE1 2.81Å; Y671-H673 PolarHBondContact OH-ND1 2.88Å |
| 674 | H | 86.2 | Confident | 85 | Confident | 104 Ų | 104 | 72.4 Ų | 72.4 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.5 | -177.8 | -56.8 | 92.8 | 0 | 0 | 0 | 110 | P656 C657 K672 | P656-H674 HydrophobicContact CB-CB 3.92Å; P656-H674 HydrophobicContact CG-CB 3.9Å; C657-H674 CarbonylContact O-C 3.41Å; C657-H674 WeakPolarHBondContact O-CA 3.46Å; K672-H674 VanDerWaalsContact C-N 3.29Å; K672-H674 WeakPolarHBondContact CB-O 3.42Å |
| 675 | Y | 85.4 | Confident | 85.4 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.4 | 177.5 | -68.5 | -90.9 | 0 | 0 | 0 | 110.1 | P656 C657 N659 L670 K672 E679 L681 W707 | P656-Y675 CarbonylContact C-O 3.53Å; P656-Y675 WeakPolarHBondContact CA-O 3.35Å; P656-Y675 WeakPolarHBondContact CB-O 3.49Å; C657-Y675 PolarHBondContact N-O 2.86Å; C657-Y675 PolarHBondContact O-N 2.75Å; N659-Y675 HydrophobicContact CB-CE2 4.28Å; L670-Y675 PolarHBondContact O-OH 3Å; K672-Y675 HydrophobicContact CB-CD1 4.33Å; K672-Y675 HydrophobicContact CB-CD2 4.34Å; K672-Y675 HydrophobicContact CB-CE1 3.89Å; K672-Y675 HydrophobicContact CB-CE2 3.93Å; K672-Y675 HydrophobicContact CD-CD1 3.97Å; K672-Y675 HydrophobicContact CD-CE1 3.86Å; K672-Y675 HydrophobicContact CG-CD1 4.42Å; K672-Y675 HydrophobicContact CG-CE1 3.88Å; K672-Y675 PolarHBondContact N-OH 3.3Å; K672-Y675 VanDerWaalsContact O-CE2 3.31Å; K672-Y675 WeakPolarHBondContact O-CE2 3.32Å; Y675-E679 WeakPolarHBondContact CA-OE2 3.12Å; Y675-E679 HydrophobicContact CD1-CB 4.34Å; Y675-E679 WeakPolarHBondContact CD1-OE2 3.37Å; Y675-L681 HydrophobicContact CE1-CD1 4.27Å; Y675-L681 HydrophobicContact CE2-CD2 4.26Å; Y675-W707 HydrophobicContact CD1-CH2 4.18Å; Y675-W707 AromaticContact CD2-CH2 3.76Å; Y675-W707 HydrophobicContact CD2-CH2 3.76Å; Y675-W707 AromaticContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CE2-CH2 4.42Å; Y675-W707 HydrophobicContact CE2-CZ2 4.23Å; Y675-W707 AromaticContact CG-CH2 3.6Å; Y675-W707 HydrophobicContact CG-CH2 3.6Å; Y675-W707 AromaticContact CG-CZ2 3.79Å; Y675-W707 HydrophobicContact CG-CZ2 3.79Å |
| 676 | Q | 83.2 | Confident | 85.6 | Confident | 106 Ų | 106 | 68.1 Ų | 68.1 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | trans | -71.1 | 154 | 178.8 | -63.9 | -63.7 | -21.2 | 0 | 0 | 110.6 | G678 E679 | Q676-G678 PolarHBondContact O-N 3.21Å; Q676-E679 HydrophobicContact CB-CG 4.22Å; Q676-E679 PolarHBondContact N-OE2 2.66Å; Q676-E679 VanDerWaalsContact N-OE2 3.13Å; Q676-E679 WeakPolarHBondContact O-CB 3.34Å; Q676-E679 PolarHBondContact O-N 2.03Å | ||
| 677 | A | 78.9 | Confident | 85.4 | Confident | 30 Ų | 30 | 77 Ų | 77 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y654 P701 | Y654-A677 HydrophobicContact CD2-CB 4Å; Y654-A677 HydrophobicContact CG-CB 3.97Å; A677-P701 HydrophobicContact CB-CB 3.89Å; A677-P701 HydrophobicContact CB-CG 3.92Å |
| 678 | G | 81.2 | Confident | 84.7 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -14.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q676 C699 | Q676-G678 PolarHBondContact O-N 3.21Å; G678-C699 PolarHBondContact N-O 3.29Å |
| 679 | E | 86.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 28% | 0.28 | 39% | 0.394 | S | S | . | . | trans | -74 | 142.8 | 177 | -66.6 | -167.2 | 144.6 | 0 | 0 | 111.9 | K672 Y675 Q676 C699 | K672-E679 VanDerWaalsContact NZ-CD 3.25Å; K672-E679 IonicContact NZ-OE1 2.68Å; K672-E679 PolarHBondContact NZ-OE1 2.9Å; K672-E679 IonicContact NZ-OE2 2.94Å; K672-E679 PolarHBondContact NZ-OE2 2.96Å; Y675-E679 WeakPolarHBondContact CA-OE2 3.12Å; Y675-E679 HydrophobicContact CD1-CB 4.34Å; Y675-E679 WeakPolarHBondContact CD1-OE2 3.37Å; Q676-E679 HydrophobicContact CB-CG 4.22Å; Q676-E679 PolarHBondContact N-OE2 2.66Å; Q676-E679 VanDerWaalsContact N-OE2 3.13Å; Q676-E679 WeakPolarHBondContact O-CB 3.34Å; Q676-E679 PolarHBondContact O-N 2.03Å; E679-C699 PolarHBondContact O-N 2.81Å | ||
| 680 | S | 88.6 | Confident | 84 | Confident | 70 Ų | 70 | 79 Ų | 79 | 49% | 0.49 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.2 | -177.6 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | I697 T698 | S680-I697 CarbonylContact C-O 3.55Å; S680-I697 WeakPolarHBondContact CA-O 3.33Å; S680-T698 WeakPolarHBondContact OG-CG2 3.31Å |
| 681 | L | 88.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.9 | 179.3 | -176.7 | 62.7 | 0 | 0 | 0 | 109.8 | P660 Q668 L670 Y675 F683 T696 I697 W707 | P660-L681 HydrophobicContact CG-CD2 4.01Å; Q668-L681 HydrophobicContact CB-CD1 4.24Å; Q668-L681 HydrophobicContact CG-CD1 4.46Å; L670-L681 WeakPolarHBondContact O-CD1 3.07Å; Y675-L681 HydrophobicContact CE1-CD1 4.27Å; Y675-L681 HydrophobicContact CE2-CD2 4.26Å; L681-F683 HydrophobicContact CD2-CE1 4.32Å; L681-F683 HydrophobicContact CD2-CE2 4.29Å; L681-F683 HydrophobicContact CD2-CZ 3.7Å; L681-F683 HydrophobicContact CG-CE2 4.24Å; L681-F683 HydrophobicContact CG-CZ 4.06Å; L681-T696 CarbonylContact O-C 3.5Å; L681-T696 WeakPolarHBondContact O-CA 3.28Å; L681-I697 HydrophobicContact CB-CG1 4.37Å; L681-I697 PolarHBondContact N-O 3.04Å; L681-I697 PolarHBondContact O-N 3.48Å; L681-W707 HydrophobicContact CB-CH2 4.13Å; L681-W707 HydrophobicContact CB-CZ3 4.18Å |
| 682 | R | 89.8 | Confident | 83.9 | Confident | 122 Ų | 122 | 74.2 Ų | 74.2 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.9 | -178.1 | 178.7 | 174.4 | -71 | -178.6 | -3.8 | 112 | Q668 T669 F684 V695 T696 | Q668-R682 WeakPolarHBondContact CA-O 3.04Å; T669-R682 HydrophobicContact CG2-CB 3.79Å; T669-R682 HydrophobicContact CG2-CG 4.24Å; T669-R682 PolarHBondContact N-O 2.83Å; T669-R682 PolarHBondContact OG1-N 2.88Å; T669-R682 PolarHBondContact OG1-O 2.97Å; R682-F684 HydrophobicContact CG-CE1 4.42Å; R682-F684 HydrophobicContact CG-CE2 4.11Å; R682-F684 HydrophobicContact CG-CZ 3.91Å; R682-V695 WeakPolarHBondContact CA-O 3.02Å; R682-V695 HydrophobicContact CG-CG2 4.21Å; R682-V695 WeakPolarHBondContact CG-O 3.15Å; R682-T696 HydrophobicContact CB-CG2 4.35Å; R682-T696 PolarHBondContact NE-OG1 3.45Å; R682-T696 PolarHBondContact NH2-OG1 2.92Å |
| 683 | F | 89.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 153.3 | -178.9 | -61.3 | -84.8 | 0 | 0 | 0 | 112.3 | P660 G661 P663 Y667 Q668 L681 L691 V695 I697 P711 P712 | P660-F683 HydrophobicContact CG-CZ 4.11Å; G661-F683 WeakPolarHBondContact O-CE1 3.18Å; P663-F683 HydrophobicContact CG-CD1 4.27Å; Y667-F683 WeakPolarHBondContact O-CA 3.18Å; Q668-F683 HydrophobicContact CB-CD1 3.78Å; Q668-F683 HydrophobicContact CB-CE1 3.78Å; L681-F683 HydrophobicContact CD2-CE1 4.32Å; L681-F683 HydrophobicContact CD2-CE2 4.29Å; L681-F683 HydrophobicContact CD2-CZ 3.7Å; L681-F683 HydrophobicContact CG-CE2 4.24Å; L681-F683 HydrophobicContact CG-CZ 4.06Å; F683-L691 WeakPolarHBondContact O-CD1 3.11Å; F683-V695 PolarHBondContact N-O 3.47Å; F683-I697 HydrophobicContact CE2-CD1 3.88Å; F683-I697 HydrophobicContact CE2-CG1 3.95Å; F683-I697 HydrophobicContact CE2-CG2 4.37Å; F683-I697 HydrophobicContact CZ-CD1 4.35Å; F683-P711 HydrophobicContact CZ-CB 4.36Å; F683-P712 HydrophobicContact CB-CG 3.61Å; F683-P712 VanDerWaalsContact CD2-CD 3.44Å; F683-P712 HydrophobicContact CD2-CG 3.88Å; F683-P712 HydrophobicContact CG-CG 3.89Å |
| 684 | F | 88.4 | Confident | 84.1 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.4 | 177.6 | -61.2 | -77.1 | 0 | 0 | 0 | 110.4 | G666 Y667 T669 R682 | G666-F684 CarbonylContact C-O 3.41Å; G666-F684 WeakPolarHBondContact CA-O 3.29Å; Y667-F684 HydrophobicContact CD1-CB 4.06Å; Y667-F684 HydrophobicContact CD2-CB 4.37Å; Y667-F684 HydrophobicContact CD2-CD2 4.17Å; Y667-F684 HydrophobicContact CE1-CB 3.54Å; Y667-F684 HydrophobicContact CE1-CG 4.43Å; Y667-F684 HydrophobicContact CE2-CB 3.89Å; Y667-F684 AromaticContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CE2 4.37Å; Y667-F684 HydrophobicContact CE2-CG 4.04Å; Y667-F684 HydrophobicContact CG-CB 4.44Å; Y667-F684 VanDerWaalsContact CZ-CB 3.44Å; Y667-F684 AromaticContact CZ-CD2 3.82Å; Y667-F684 AromaticContact CZ-CG 3.85Å; Y667-F684 PolarHBondContact N-O 3.1Å; Y667-F684 PolarHBondContact O-N 3.25Å; T669-F684 HydrophobicContact CG2-CD2 4.31Å; T669-F684 HydrophobicContact CG2-CE2 3.46Å; T669-F684 VanDerWaalsContact CG2-CE2 3.46Å; T669-F684 HydrophobicContact CG2-CZ 4.27Å; R682-F684 HydrophobicContact CG-CE1 4.42Å; R682-F684 HydrophobicContact CG-CE2 4.11Å; R682-F684 HydrophobicContact CG-CZ 3.91Å |
| 685 | C | 87.9 | Confident | 84.1 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 151.4 | 173.8 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | F689 L691 C714 | C685-F689 HydrophobicContact CB-CB 4.09Å; C685-L691 VanDerWaalsContact SG-CA 3.59Å; C685-L691 VanDerWaalsContact SG-CB 3.58Å; C685-C714 WeakPolarHBondContact CA-SG 3.48Å; C685-C714 HydrophobicContact CB-CB 3.73Å; C685-C714 WeakPolarHBondContact CB-SG 3.04Å; C685-C714 VanDerWaalsContact SG-CA 3.52Å; C685-C714 WeakPolarHBondContact SG-CB 3.5Å; C685-C714 CovalentContact SG-SG 2.02Å; C685-C714 PolarHBondContact SG-SG 2.81Å |
| 686 | Y | 84.3 | Confident | 84.3 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 50% | 0.502 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 161.1 | 170.3 | -63.8 | -62.8 | 0 | 0 | 0 | 111.3 | N665 Y667 G688 F689 | N665-Y686 WeakPolarHBondContact O-CD2 3.5Å; N665-Y686 PolarHBondContact O-N 3.4Å; Y667-Y686 HydrophobicContact CD1-CD1 4.16Å; Y667-Y686 AromaticContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CE1-CD1 4.45Å; Y667-Y686 HydrophobicContact CE1-CE1 4.27Å; Y686-G688 PolarHBondContact O-N 2.87Å; Y686-F689 PolarHBondContact O-N 3.03Å |
| 687 | E | 79.9 | Confident | 84.6 | Confident | 197 Ų | 197 | 66.7 Ų | 66.7 | 92% | 0.921 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 137.2 | -175.9 | -67.1 | -171.9 | 160.4 | 0 | 0 | 112.9 | ||
| 688 | G | 72.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 62% | 0.619 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -2.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y686 | Y686-G688 PolarHBondContact O-N 2.87Š|
| 689 | F | 80.5 | Confident | 85.4 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.3 | 175.8 | -60.3 | -97.1 | 0 | 0 | 0 | 111.2 | N665 C685 Y686 C714 K715 V716 | N665-F689 HydrophobicContact CB-CD1 4.38Å; N665-F689 HydrophobicContact CB-CD2 4.32Å; N665-F689 HydrophobicContact CB-CE1 4.21Å; N665-F689 HydrophobicContact CB-CE2 4.15Å; N665-F689 HydrophobicContact CB-CG 4.44Å; N665-F689 HydrophobicContact CB-CZ 4.09Å; C685-F689 HydrophobicContact CB-CB 4.09Å; Y686-F689 PolarHBondContact O-N 3.03Å; F689-C714 HydrophobicContact CB-CB 3.92Å; F689-C714 HydrophobicContact CD1-CB 4.48Å; F689-C714 HydrophobicContact CG-CB 4.42Å; F689-K715 CarbonylContact C-O 3.37Å; F689-K715 VanDerWaalsContact CA-O 3.3Å; F689-K715 WeakPolarHBondContact CA-O 3.46Å; F689-V716 HydrophobicContact CD1-CG2 4.01Å; F689-V716 HydrophobicContact CE1-CG2 3.71Å; F689-V716 HydrophobicContact CZ-CG2 4.46Å |
| 690 | E | 79.2 | Confident | 85.3 | Confident | 121 Ų | 121 | 64.8 Ų | 64.8 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.4 | 170.8 | -80.6 | 177.9 | -177.1 | 0 | 0 | 110.8 | I692 C714 K715 A717 | E690-I692 PolarHBondContact O-N 3.37Å; E690-C714 WeakPolarHBondContact O-CA 3.07Å; E690-K715 PolarHBondContact N-O 3.3Å; E690-K715 PolarHBondContact O-N 3.2Å; E690-A717 HydrophobicContact CB-CB 4.47Å; E690-A717 HydrophobicContact CG-CB 3.73Å; E690-A717 VanDerWaalsContact OE1-CB 3.31Å; E690-A717 WeakPolarHBondContact OE1-CB 3.34Å |
| 691 | L | 84.9 | Confident | 84.8 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.288 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117.1 | 177.8 | -170 | 151 | 0 | 0 | 0 | 109.5 | F683 C685 G693 V695 P712 | F683-L691 WeakPolarHBondContact O-CD1 3.11Å; C685-L691 VanDerWaalsContact SG-CA 3.59Å; C685-L691 VanDerWaalsContact SG-CB 3.58Å; L691-G693 WeakPolarHBondContact CD2-O 3.48Å; L691-V695 HydrophobicContact CD1-CG2 4.16Å; L691-V695 HydrophobicContact CD2-CB 4.27Å; L691-P712 HydrophobicContact CD1-CB 4.34Å; L691-P712 HydrophobicContact CD1-CG 4.09Å; L691-P712 HydrophobicContact CD2-CB 3.58Å; L691-P712 HydrophobicContact CD2-CG 4.11Å; L691-P712 HydrophobicContact CG-CB 3.85Å; L691-P712 HydrophobicContact CG-CG 4.16Å |
| 692 | I | 80.9 | Confident | 84 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 46% | 0.456 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 106.5 | 177.7 | -55.9 | 178.8 | 0 | 0 | 0 | 108.3 | E690 L713 K715 | E690-I692 PolarHBondContact O-N 3.37Å; I692-L713 PolarHBondContact N-O 2.92Å; I692-L713 PolarHBondContact O-N 3.19Å; I692-K715 HydrophobicContact CD1-CB 3.78Å; I692-K715 HydrophobicContact CD1-CD 3.8Å; I692-K715 HydrophobicContact CD1-CG 3.91Å |
| 693 | G | 83.1 | Confident | 82.8 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 136.7 | -169.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L691 V695 | L691-G693 WeakPolarHBondContact CD2-O 3.48Å; G693-V695 PolarHBondContact O-N 2.84Å |
| 694 | E | 87.3 | Confident | 82 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | trans | -79.3 | 121.2 | 178.3 | -156.3 | 174.7 | -165.5 | 0 | 0 | 110 | T696 I697 S709 | E694-T696 WeakPolarHBondContact CG-O 3.34Å; E694-T696 PolarHBondContact O-N 3.07Å; E694-I697 HydrophobicContact CB-CG2 4.45Å; E694-S709 WeakPolarHBondContact OE2-CB 3.29Å; E694-S709 PolarHBondContact OE2-OG 2.81Å | ||
| 695 | V | 85.9 | Confident | 81.7 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -66 | -27.1 | -176.9 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | R682 F683 L691 G693 | R682-V695 WeakPolarHBondContact CA-O 3.02Å; R682-V695 HydrophobicContact CG-CG2 4.21Å; R682-V695 WeakPolarHBondContact CG-O 3.15Å; F683-V695 PolarHBondContact N-O 3.47Å; L691-V695 HydrophobicContact CD1-CG2 4.16Å; L691-V695 HydrophobicContact CD2-CB 4.27Å; G693-V695 PolarHBondContact O-N 2.84Å |
| 696 | T | 89.4 | Confident | 81.5 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121.3 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 108.9 | L681 R682 E694 | L681-T696 CarbonylContact O-C 3.5Å; L681-T696 WeakPolarHBondContact O-CA 3.28Å; R682-T696 HydrophobicContact CB-CG2 4.35Å; R682-T696 PolarHBondContact NE-OG1 3.45Å; R682-T696 PolarHBondContact NH2-OG1 2.92Å; E694-T696 WeakPolarHBondContact CG-O 3.34Å; E694-T696 PolarHBondContact O-N 3.07Å |
| 697 | I | 89.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148.8 | 176.8 | 74 | 172.9 | 0 | 0 | 0 | 109.1 | P660 S680 L681 F683 E694 W707 S709 | P660-I697 HydrophobicContact CB-CD1 4.32Å; P660-I697 HydrophobicContact CG-CD1 3.86Å; S680-I697 CarbonylContact C-O 3.55Å; S680-I697 WeakPolarHBondContact CA-O 3.33Å; L681-I697 HydrophobicContact CB-CG1 4.37Å; L681-I697 PolarHBondContact N-O 3.04Å; L681-I697 PolarHBondContact O-N 3.48Å; F683-I697 HydrophobicContact CE2-CD1 3.88Å; F683-I697 HydrophobicContact CE2-CG1 3.95Å; F683-I697 HydrophobicContact CE2-CG2 4.37Å; F683-I697 HydrophobicContact CZ-CD1 4.35Å; E694-I697 HydrophobicContact CB-CG2 4.45Å; I697-W707 HydrophobicContact CB-CE3 4.36Å; I697-W707 HydrophobicContact CD1-CB 4.05Å; I697-W707 HydrophobicContact CD1-CD2 3.78Å; I697-W707 HydrophobicContact CD1-CE3 3.71Å; I697-W707 HydrophobicContact CD1-CG 3.95Å; I697-W707 HydrophobicContact CD1-CZ3 4.39Å; I697-W707 HydrophobicContact CG1-CD2 4.18Å; I697-W707 HydrophobicContact CG1-CE3 3.56Å; I697-W707 HydrophobicContact CG1-CZ3 3.98Å; I697-S709 WeakPolarHBondContact CG2-OG 3.5Å |
| 698 | T | 89.3 | Confident | 82.1 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.3 | -176.8 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | S680 V700 W707 T708 | S680-T698 WeakPolarHBondContact OG-CG2 3.31Å; T698-V700 PolarHBondContact O-N 3.22Å; T698-W707 WeakPolarHBondContact O-CA 3.45Å; T698-T708 PolarHBondContact N-OG1 3.45Å; T698-T708 WeakPolarHBondContact O-CG2 3.37Å; T698-T708 PolarHBondContact O-N 2.98Å; T698-T708 WeakPolarHBondContact OG1-CG2 3.36Å |
| 699 | C | 88 | Confident | 82.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 101 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 107.6 | C657 G678 E679 W707 | C657-C699 HydrophobicContact CB-CB 3.81Å; C657-C699 WeakPolarHBondContact CB-SG 3.2Å; C657-C699 VanDerWaalsContact SG-CA 3.57Å; C657-C699 WeakPolarHBondContact SG-CB 3.45Å; C657-C699 CovalentContact SG-SG 2.03Å; C657-C699 PolarHBondContact SG-SG 3.32Å; G678-C699 PolarHBondContact N-O 3.29Å; E679-C699 PolarHBondContact O-N 2.81Å; C699-W707 HydrophobicContact CB-CD2 4.45Å; C699-W707 HydrophobicContact CB-CE3 4Å; C699-W707 HydrophobicContact CB-CH2 4.01Å; C699-W707 HydrophobicContact CB-CZ2 4.43Å; C699-W707 HydrophobicContact CB-CZ3 3.77Å; C699-W707 VanDerWaalsContact N-CE3 3.34Å; C699-W707 VanDerWaalsContact N-CZ3 3.32Å |
| 700 | V | 84.5 | Confident | 82.8 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 136.7 | 179.8 | -76.6 | 0 | 0 | 0 | 0 | 110.7 | T698 G702 S705 Q706 T708 | T698-V700 PolarHBondContact O-N 3.22Å; V700-G702 PolarHBondContact O-N 3.31Å; V700-S705 WeakPolarHBondContact O-CA 3.3Å; V700-S705 WeakPolarHBondContact O-CB 3.02Å; V700-Q706 WeakPolarHBondContact CG2-O 3.01Å; V700-Q706 PolarHBondContact N-O 3.07Å; V700-Q706 PolarHBondContact O-N 3.49Å; V700-T708 HydrophobicContact CG1-CG2 3.5Å; V700-T708 VanDerWaalsContact CG1-CG2 3.5Å |
| 701 | P | 78.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | trans | -57.6 | 126.5 | 179.1 | -16.3 | 23.9 | 0 | 0 | 0 | 112.2 | Y654 A677 | Y654-P701 HydrophobicContact CD1-CB 3.7Å; Y654-P701 HydrophobicContact CD2-CB 4.1Å; Y654-P701 HydrophobicContact CE1-CB 3.5Å; Y654-P701 VanDerWaalsContact CE1-CB 3.5Å; Y654-P701 HydrophobicContact CE2-CB 3.92Å; Y654-P701 HydrophobicContact CG-CB 4Å; A677-P701 HydrophobicContact CB-CB 3.89Å; A677-P701 HydrophobicContact CB-CG 3.92Å | ||
| 702 | G | 70.1 | Confident | 83.1 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | trans | -164.4 | -178.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V700 P704 S705 | V700-G702 PolarHBondContact O-N 3.31Å; G702-P704 CarbonylContact C-O 3.49Å; G702-P704 CarbonylContact O-C 3.59Å; G702-S705 VanDerWaalsContact C-N 3.34Å; G702-S705 PolarHBondContact N-OG 3.3Å; G702-S705 PolarHBondContact O-N 2.02Å; G702-S705 VanDerWaalsContact O-N 3.08Å; G702-S705 PolarHBondContact O-OG 3.49Å | ||
| 703 | H | 64.6 | Low | 83.3 | Confident | 120 Ų | 120 | 59 Ų | 59 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | 87.1 | 174.6 | -69 | -71.7 | 0 | 0 | 0 | 110.6 | K653 | K653-H703 PolarHBondContact O-CE1 3.31Š|
| 704 | P | 73 | Confident | 83.4 | Confident | 78 Ų | 78 | 57 Ų | 57 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -75.8 | 155.1 | -1.5 | 31.4 | -34.7 | 0 | 0 | 0 | 112.4 | G702 Q706 | G702-P704 CarbonylContact C-O 3.49Å; G702-P704 CarbonylContact O-C 3.59Å; P704-Q706 WeakPolarHBondContact O-CG 3.47Å |
| 705 | S | 82.2 | Confident | 83 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | trans | -62.8 | 140.8 | 171.9 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | E655 C657 V700 G702 | E655-S705 WeakPolarHBondContact O-CB 3.34Å; E655-S705 PolarHBondContact O-OG 2.94Å; C657-S705 VanDerWaalsContact SG-CB 3.54Å; C657-S705 PolarHBondContact SG-O 3.47Å; V700-S705 WeakPolarHBondContact O-CA 3.3Å; V700-S705 WeakPolarHBondContact O-CB 3.02Å; G702-S705 VanDerWaalsContact C-N 3.34Å; G702-S705 PolarHBondContact N-OG 3.3Å; G702-S705 PolarHBondContact O-N 2.02Å; G702-S705 VanDerWaalsContact O-N 3.08Å; G702-S705 PolarHBondContact O-OG 3.49Å | ||
| 706 | Q | 84.2 | Confident | 82.3 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.4 | -174.9 | -61.7 | -172.7 | 13.4 | 0 | 0 | 110.8 | V700 P704 | V700-Q706 WeakPolarHBondContact CG2-O 3.01Å; V700-Q706 PolarHBondContact N-O 3.07Å; V700-Q706 PolarHBondContact O-N 3.49Å; P704-Q706 WeakPolarHBondContact O-CG 3.47Å |
| 707 | W | 87.6 | Confident | 81 | Confident | 44 Ų | 44 | 61 Ų | 61 | 17% | 0.167 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.5 | 172.7 | -67.8 | 105.8 | 0 | 0 | 0 | 110.5 | C657 L658 P660 Y675 L681 I697 T698 C699 S709 | C657-W707 HydrophobicContact CB-CD2 4.25Å; C657-W707 HydrophobicContact CB-CZ2 3.76Å; L658-W707 PolarHBondContact O-NE1 3.44Å; P660-W707 HydrophobicContact CG-CZ2 4.45Å; Y675-W707 HydrophobicContact CD1-CH2 4.18Å; Y675-W707 AromaticContact CD2-CH2 3.76Å; Y675-W707 HydrophobicContact CD2-CH2 3.76Å; Y675-W707 AromaticContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CE2-CH2 4.42Å; Y675-W707 HydrophobicContact CE2-CZ2 4.23Å; Y675-W707 AromaticContact CG-CH2 3.6Å; Y675-W707 HydrophobicContact CG-CH2 3.6Å; Y675-W707 AromaticContact CG-CZ2 3.79Å; Y675-W707 HydrophobicContact CG-CZ2 3.79Å; L681-W707 HydrophobicContact CB-CH2 4.13Å; L681-W707 HydrophobicContact CB-CZ3 4.18Å; I697-W707 HydrophobicContact CB-CE3 4.36Å; I697-W707 HydrophobicContact CD1-CB 4.05Å; I697-W707 HydrophobicContact CD1-CD2 3.78Å; I697-W707 HydrophobicContact CD1-CE3 3.71Å; I697-W707 HydrophobicContact CD1-CG 3.95Å; I697-W707 HydrophobicContact CD1-CZ3 4.39Å; I697-W707 HydrophobicContact CG1-CD2 4.18Å; I697-W707 HydrophobicContact CG1-CE3 3.56Å; I697-W707 HydrophobicContact CG1-CZ3 3.98Å; T698-W707 WeakPolarHBondContact O-CA 3.45Å; C699-W707 HydrophobicContact CB-CD2 4.45Å; C699-W707 HydrophobicContact CB-CE3 4Å; C699-W707 HydrophobicContact CB-CH2 4.01Å; C699-W707 HydrophobicContact CB-CZ2 4.43Å; C699-W707 HydrophobicContact CB-CZ3 3.77Å; C699-W707 VanDerWaalsContact N-CE3 3.34Å; C699-W707 VanDerWaalsContact N-CZ3 3.32Å; W707-S709 PolarHBondContact O-N 3.33Å |
| 708 | T | 89.1 | Confident | 79.4 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -56.9 | -32 | 177.6 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | T698 V700 | T698-T708 PolarHBondContact N-OG1 3.45Å; T698-T708 WeakPolarHBondContact O-CG2 3.37Å; T698-T708 PolarHBondContact O-N 2.98Å; T698-T708 WeakPolarHBondContact OG1-CG2 3.36Å; V700-T708 HydrophobicContact CG1-CG2 3.5Å; V700-T708 VanDerWaalsContact CG1-CG2 3.5Å |
| 709 | S | 84.1 | Confident | 77.6 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -153.1 | 164.7 | -177.9 | 54 | 0 | 0 | 0 | 0 | 111.1 | E694 I697 W707 | E694-S709 WeakPolarHBondContact OE2-CB 3.29Å; E694-S709 PolarHBondContact OE2-OG 2.81Å; I697-S709 WeakPolarHBondContact CG2-OG 3.5Å; W707-S709 PolarHBondContact O-N 3.33Å |
| 710 | Q | 84.4 | Confident | 75.5 | Confident | 171 Ų | 171 | 85.4 Ų | 85.4 | 80% | 0.799 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 155.4 | 174.5 | -64.2 | -177.1 | 3.2 | 0 | 0 | 110.6 | ||
| 711 | P | 83.5 | Confident | 73.7 | Confident | 44 Ų | 44 | 89.8 Ų | 89.8 | 29% | 0.286 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 137.1 | 177.5 | -25.8 | 34.3 | 0 | 0 | 0 | 112.4 | P660 F683 | P660-P711 HydrophobicContact CB-CG 3.88Å; P660-P711 HydrophobicContact CG-CG 4.41Å; F683-P711 HydrophobicContact CZ-CB 4.36Å |
| 712 | P | 86 | Confident | 72.1 | Confident | 2 Ų | 2 | 93.9 Ų | 93.9 | 1% | 0.013 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 155.4 | -177.9 | 29.6 | -35.2 | 0 | 0 | 0 | 111.7 | P663 F683 L691 | P663-P712 WeakPolarHBondContact CB-O 2.94Å; P663-P712 VanDerWaalsContact CG-O 3.29Å; P663-P712 WeakPolarHBondContact CG-O 3.08Å; F683-P712 HydrophobicContact CB-CG 3.61Å; F683-P712 VanDerWaalsContact CD2-CD 3.44Å; F683-P712 HydrophobicContact CD2-CG 3.88Å; F683-P712 HydrophobicContact CG-CG 3.89Å; L691-P712 HydrophobicContact CD1-CB 4.34Å; L691-P712 HydrophobicContact CD1-CG 4.09Å; L691-P712 HydrophobicContact CD2-CB 3.58Å; L691-P712 HydrophobicContact CD2-CG 4.11Å; L691-P712 HydrophobicContact CG-CB 3.85Å; L691-P712 HydrophobicContact CG-CG 4.16Å |
| 713 | L | 85.3 | Confident | 70.5 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.4 | -179.4 | -64.8 | 167.7 | 0 | 0 | 0 | 111 | I692 | I692-L713 PolarHBondContact N-O 2.92Å; I692-L713 PolarHBondContact O-N 3.19Å |
| 714 | C | 85.7 | Confident | 69.5 | Low | 15 Ų | 15 | 100.1 Ų | 100.1 | 10% | 0.101 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.1 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | C685 F689 E690 | C685-C714 WeakPolarHBondContact CA-SG 3.48Å; C685-C714 HydrophobicContact CB-CB 3.73Å; C685-C714 WeakPolarHBondContact CB-SG 3.04Å; C685-C714 VanDerWaalsContact SG-CA 3.52Å; C685-C714 WeakPolarHBondContact SG-CB 3.5Å; C685-C714 CovalentContact SG-SG 2.02Å; C685-C714 PolarHBondContact SG-SG 2.81Å; F689-C714 HydrophobicContact CB-CB 3.92Å; F689-C714 HydrophobicContact CD1-CB 4.48Å; F689-C714 HydrophobicContact CG-CB 4.42Å; E690-C714 WeakPolarHBondContact O-CA 3.07Å |
| 715 | K | 77.3 | Confident | 67.8 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.4 | 179.4 | -66 | -164.1 | -173.1 | 173.9 | 0 | 112.1 | F689 E690 I692 | F689-K715 CarbonylContact C-O 3.37Å; F689-K715 VanDerWaalsContact CA-O 3.3Å; F689-K715 WeakPolarHBondContact CA-O 3.46Å; E690-K715 PolarHBondContact N-O 3.3Å; E690-K715 PolarHBondContact O-N 3.2Å; I692-K715 HydrophobicContact CD1-CB 3.78Å; I692-K715 HydrophobicContact CD1-CD 3.8Å; I692-K715 HydrophobicContact CD1-CG 3.91Å |
| 716 | V | 72.9 | Confident | 65.3 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.4 | 136.5 | -177.6 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | F689 | F689-V716 HydrophobicContact CD1-CG2 4.01Å; F689-V716 HydrophobicContact CE1-CG2 3.71Å; F689-V716 HydrophobicContact CZ-CG2 4.46Å |
| 717 | A | 61.6 | Low | 63.1 | Low | 39 Ų | 39 | 116.1 Ų | 116.1 | 32% | 0.322 | 57% | 0.57 | S | S | . | * | trans | -95.5 | 115.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E690 | E690-A717 HydrophobicContact CB-CB 4.47Å; E690-A717 HydrophobicContact CG-CB 3.73Å; E690-A717 VanDerWaalsContact OE1-CB 3.31Å; E690-A717 WeakPolarHBondContact OE1-CB 3.34Å | ||
| 718 | Y | 56 | Low | 60.6 | Low | 214 Ų | 214 | 122.4 Ų | 122.4 | 84% | 0.839 | 60% | 0.601 | S | S | * | * | trans | -160.4 | 128.2 | 161.3 | -143.6 | -89.5 | 0 | 0 | 0 | 112 | ||||
| 719 | E | 51.4 | Low | 58.1 | Low | 177 Ų | 177 | 126.3 Ų | 126.3 | 83% | 0.827 | 62% | 0.624 | S | S | * | * | trans | -137.3 | 165.8 | 157.2 | -103.8 | -140 | -174.6 | 0 | 0 | 110.5 | ||||
| 720 | E | 43.9 | Very low | 55.5 | Low | 165 Ų | 165 | 130.3 Ų | 130.3 | 77% | 0.771 | 65% | 0.647 | S | S | * | * | trans | 90 | 101 | 178 | -60.4 | -167.9 | 155.5 | 0 | 0 | 117.5 | ||||
| 721 | L | 45.6 | Very low | 53.1 | Low | 154 Ų | 154 | 130.8 Ų | 130.8 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | 177 | 125.2 | 122.1 | -93.5 | 154.8 | 0 | 0 | 0 | 112.3 | |||||
| 722 | L | 44.9 | Very low | 50.7 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | trans | 79.4 | 132.2 | 158.1 | -60.4 | 152.4 | 0 | 0 | 0 | 117.3 | ||||
| 723 | D | 37.6 | Very low | 48.1 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | cis | -163.5 | 159.1 | -3.1 | -174 | 18.6 | 0 | 0 | 0 | 108.4 | ||||
| 724 | N | 42.4 | Very low | 45.6 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -53.3 | 142 | -177.6 | -62.9 | -72.8 | 0 | 0 | 0 | 116 | ||||
| 725 | R | 37.8 | Very low | 43.3 | Very low | 232 Ų | 232 | 145.6 Ų | 145.6 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | -178 | 137.4 | 116.8 | -111.5 | 176.4 | 170.1 | 169.1 | -0.4 | 113.4 | |||||
| 726 | K | 31.2 | Very low | 41.1 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 69.8 | 135.2 | 151.6 | -91 | 179.9 | 151.2 | -173.7 | 0 | 115.7 | ||||
| 727 | L | 37 | Very low | 39.3 | Very low | 137 Ų | 137 | 151 Ų | 151 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | cis | -163.6 | 137.7 | 22.9 | -133.5 | 141.8 | 0 | 0 | 0 | 107.6 | ||||
| 728 | E | 35.9 | Very low | 37.9 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -61.7 | 141.5 | 170.1 | -61.7 | 166.5 | 145.2 | 0 | 0 | 111.4 | ||||
| 729 | V | 35.1 | Very low | 37 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -144.6 | 129.5 | 138.1 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 730 | T | 30.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -77.8 | 147.6 | -177.5 | 2.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 731 | Q | 34.2 | Very low | 36.9 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -177.7 | 104.2 | 134.7 | -105.1 | 171.9 | 1.5 | 0 | 0 | 108 | ||||
| 732 | T | 31.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | 41.7 | 117.3 | 80.5 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 733 | T | 32.7 | Very low | 37.8 | Very low | 120 Ų | 120 | 145 Ų | 145 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | 179 | 149.6 | 59.3 | -3.3 | 0 | 0 | 0 | 0 | 104 | |||||
| 734 | D | 31 | Very low | 38.4 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | -179.1 | 176.9 | 49.2 | -125 | -13.5 | 0 | 0 | 0 | 109.1 | ||||
| 735 | P | 38.6 | Very low | 39 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | -121.5 | -177.8 | -134.9 | 25 | 0.9 | 0 | 0 | 0 | 114.3 | ||||
| 736 | S | 30.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 76.3 | 126.8 | 169.1 | 81.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 737 | R | 34.5 | Very low | 41.1 | Very low | 237 Ų | 237 | 131.2 Ų | 131.2 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | cis | -152.7 | 135.9 | 39 | -75.1 | -175.2 | 157.9 | 171.8 | -6.1 | 112.1 | ||||
| 738 | Q | 33.7 | Very low | 42.3 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -76.2 | 148.1 | 153.6 | -106.1 | -178 | -36.1 | 0 | 0 | 109.8 | ||||
| 739 | L | 36.6 | Very low | 43.3 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | 46.1 | 117.7 | 156 | -93.5 | 73.7 | 0 | 0 | 0 | 118.4 | ||||
| 740 | E | 41.8 | Very low | 44.9 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | -173.1 | 111.9 | 105.3 | -147.4 | 103.4 | -153.4 | 0 | 0 | 107.9 | |||||
| 741 | G | 50.8 | Low | 46.4 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | trans | -73.1 | 126.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 742 | G | 53 | Low | 48.1 | Very low | 58 Ų | 58 | 119.5 Ų | 119.5 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | 144.9 | 119.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 743 | N | 56.3 | Low | 49.9 | Very low | 137 Ų | 137 | 116 Ų | 116 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | 96.2 | 60.7 | 171.7 | -48 | -28.6 | 0 | 0 | 0 | 117.3 | ||||
| 744 | L | 50.6 | Low | 52 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -119.2 | -15.3 | 149.3 | -150.6 | 82.2 | 0 | 0 | 0 | 112.9 | ||
| 745 | A | 54 | Low | 54.2 | Low | 64 Ų | 64 | 113.5 Ų | 113.5 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -78.9 | -29.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A747 L749 | A745-A747 PolarHBondContact O-N 3.33Å; A745-L749 HydrophobicContact CB-CD1 4.25Å; A745-L749 WeakPolarHBondContact O-CB 3.5Å; A745-L749 WeakPolarHBondContact O-CD1 3.3Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.5Å; A745-L749 PolarHBondContact O-N 3.5Å |
| 746 | L | 57 | Low | 55.9 | Low | 103 Ų | 103 | 114.2 Ų | 114.2 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.1 | -23.5 | -175.8 | -81.9 | 164.5 | 0 | 0 | 0 | 114 | L750 | L746-L750 WeakPolarHBondContact O-CD1 3.37Å |
| 747 | A | 57.5 | Low | 58.2 | Low | 81 Ų | 81 | 113.7 Ų | 113.7 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.1 | -18.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | A745 | A745-A747 PolarHBondContact O-N 3.33Å |
| 748 | I | 60.8 | Low | 60.4 | Low | 105 Ų | 105 | 107.7 Ų | 107.7 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -102.5 | -33.8 | -179.8 | -60.1 | 173.1 | 0 | 0 | 0 | 111 | P751 L752 | I748-P751 WeakPolarHBondContact O-CD 3.31Å; I748-P751 WeakPolarHBondContact O-CG 3.31Å; I748-L752 HydrophobicContact CG2-CD1 3.94Å |
| 749 | L | 58.7 | Low | 62.5 | Low | 110 Ų | 110 | 101.2 Ų | 101.2 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.7 | -30.1 | -175.8 | -69.7 | 170.3 | 0 | 0 | 0 | 114 | A745 G753 | A745-L749 HydrophobicContact CB-CD1 4.25Å; A745-L749 WeakPolarHBondContact O-CB 3.5Å; A745-L749 WeakPolarHBondContact O-CD1 3.3Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.5Å; A745-L749 PolarHBondContact O-N 3.5Å; L749-G753 PolarHBondContact O-N 3.21Å |
| 750 | L | 67.1 | Low | 64 | Low | 123 Ų | 123 | 97.1 Ų | 97.1 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.4 | -44.9 | 177.9 | -80.3 | 167.6 | 0 | 0 | 0 | 114.2 | L746 L754 | L746-L750 WeakPolarHBondContact O-CD1 3.37Å; L750-L754 PolarHBondContact O-N 3.04Å |
| 751 | P | 63.6 | Low | 65.7 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 49% | 0.494 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.8 | -33.2 | 175.4 | 24.5 | -31.5 | 0 | 0 | 0 | 113 | I748 L754 V755 | I748-P751 WeakPolarHBondContact O-CD 3.31Å; I748-P751 WeakPolarHBondContact O-CG 3.31Å; P751-L754 PolarHBondContact O-N 3.44Å; P751-V755 WeakPolarHBondContact O-CG2 3.47Å; P751-V755 PolarHBondContact O-N 3.07Å |
| 752 | L | 69.6 | Low | 67 | Low | 96 Ų | 96 | 90.8 Ų | 90.8 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 176 | -95.2 | 155.5 | 0 | 0 | 0 | 112.7 | I748 L754 V755 I756 | I748-L752 HydrophobicContact CG2-CD1 3.94Å; L752-L754 VanDerWaalsContact C-N 3.32Å; L752-L754 PolarHBondContact O-N 2.91Å; L752-V755 PolarHBondContact O-N 3.35Å; L752-I756 VanDerWaalsContact O-CG1 3.31Å; L752-I756 WeakPolarHBondContact O-CG1 3.41Å; L752-I756 PolarHBondContact O-N 3.08Å; L752-I756 VanDerWaalsContact O-N 3.16Å |
| 753 | G | 69.9 | Low | 67.8 | Low | 35 Ų | 35 | 95.5 Ų | 95.5 | 36% | 0.361 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -36.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L749 I756 V757 | L749-G753 PolarHBondContact O-N 3.21Å; G753-I756 PolarHBondContact O-N 3.25Å; G753-V757 VanDerWaalsContact O-CG2 3.3Å; G753-V757 WeakPolarHBondContact O-CG2 3.27Å; G753-V757 PolarHBondContact O-N 3.11Å |
| 754 | L | 76.3 | Confident | 68.5 | Low | 111 Ų | 111 | 94 Ų | 94 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.4 | -36.5 | -179.8 | -147.1 | 150.8 | 0 | 0 | 0 | 111.9 | L750 P751 L752 L758 | L750-L754 PolarHBondContact O-N 3.04Å; P751-L754 PolarHBondContact O-N 3.44Å; L752-L754 VanDerWaalsContact C-N 3.32Å; L752-L754 PolarHBondContact O-N 2.91Å; L754-L758 HydrophobicContact CD2-CD1 3.65Å; L754-L758 HydrophobicContact CD2-CG 4.2Å; L754-L758 WeakPolarHBondContact O-CG 3.48Å; L754-L758 PolarHBondContact O-N 3.24Å |
| 755 | V | 76.9 | Confident | 69.6 | Low | 101 Ų | 101 | 94.4 Ų | 94.4 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -38.8 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | P751 L752 G759 | P751-V755 WeakPolarHBondContact O-CG2 3.47Å; P751-V755 PolarHBondContact O-N 3.07Å; L752-V755 PolarHBondContact O-N 3.35Å; V755-G759 PolarHBondContact O-N 2.84Å |
| 756 | I | 74.8 | Confident | 70.2 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 59% | 0.59 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.9 | -40.3 | 177.9 | -66.6 | 167.3 | 0 | 0 | 0 | 111.1 | L752 G753 G759 S760 | L752-I756 VanDerWaalsContact O-CG1 3.31Å; L752-I756 WeakPolarHBondContact O-CG1 3.41Å; L752-I756 PolarHBondContact O-N 3.08Å; L752-I756 VanDerWaalsContact O-N 3.16Å; G753-I756 PolarHBondContact O-N 3.25Å; I756-G759 PolarHBondContact O-N 3.41Å; I756-S760 WeakPolarHBondContact O-CB 3.33Å; I756-S760 PolarHBondContact O-N 3Å; I756-S760 PolarHBondContact O-OG 3.44Å |
| 757 | V | 79 | Confident | 70.6 | Confident | 100 Ų | 100 | 95 Ų | 95 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111 | G753 S760 G761 | G753-V757 VanDerWaalsContact O-CG2 3.3Å; G753-V757 WeakPolarHBondContact O-CG2 3.27Å; G753-V757 PolarHBondContact O-N 3.11Å; V757-S760 PolarHBondContact O-N 3.44Å; V757-S760 PolarHBondContact O-OG 2.73Å; V757-G761 PolarHBondContact O-N 2.97Å |
| 758 | L | 80.6 | Confident | 70.8 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 176.3 | -70.4 | 174.1 | 0 | 0 | 0 | 112.6 | L754 G761 V762 | L754-L758 HydrophobicContact CD2-CD1 3.65Å; L754-L758 HydrophobicContact CD2-CG 4.2Å; L754-L758 WeakPolarHBondContact O-CG 3.48Å; L754-L758 PolarHBondContact O-N 3.24Å; L758-G761 PolarHBondContact O-N 3.47Å; L758-V762 WeakPolarHBondContact O-CG2 3.46Å; L758-V762 PolarHBondContact O-N 2.92Å; L758-V762 VanDerWaalsContact O-N 3.11Å |
| 759 | G | 78 | Confident | 71 | Confident | 43 Ų | 43 | 100.6 Ų | 100.6 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V755 I756 V762 Y763 | V755-G759 PolarHBondContact O-N 2.84Å; I756-G759 PolarHBondContact O-N 3.41Å; G759-V762 PolarHBondContact O-N 2.58Å; G759-Y763 WeakPolarHBondContact O-CB 3.41Å; G759-Y763 PolarHBondContact O-N 3.45Å |
| 760 | S | 68.4 | Low | 70.9 | Confident | 56 Ų | 56 | 102 Ų | 102 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 176.1 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | I756 V757 Y763 I764 | I756-S760 WeakPolarHBondContact O-CB 3.33Å; I756-S760 PolarHBondContact O-N 3Å; I756-S760 PolarHBondContact O-OG 3.44Å; V757-S760 PolarHBondContact O-N 3.44Å; V757-S760 PolarHBondContact O-OG 2.73Å; S760-Y763 PolarHBondContact O-N 3.05Å; S760-I764 VanDerWaalsContact O-CG1 3.28Å; S760-I764 WeakPolarHBondContact O-CG1 3.46Å; S760-I764 PolarHBondContact O-N 3.01Å |
| 761 | G | 77.1 | Confident | 70.5 | Confident | 40 Ų | 40 | 99.6 Ų | 99.6 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | V757 L758 I764 Y765 | V757-G761 PolarHBondContact O-N 2.97Å; L758-G761 PolarHBondContact O-N 3.47Å; G761-I764 PolarHBondContact O-N 2.8Å; G761-Y765 WeakPolarHBondContact O-CB 3.34Å; G761-Y765 PolarHBondContact O-N 3.44Å |
| 762 | V | 78.3 | Confident | 70.1 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.6 | -38.2 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L758 G759 Y765 Y766 | L758-V762 WeakPolarHBondContact O-CG2 3.46Å; L758-V762 PolarHBondContact O-N 2.92Å; L758-V762 VanDerWaalsContact O-N 3.11Å; G759-V762 PolarHBondContact O-N 2.58Å; V762-Y765 PolarHBondContact O-N 3.06Å; V762-Y766 PolarHBondContact O-N 3.21Å |
| 763 | Y | 69.4 | Low | 68.9 | Low | 157 Ų | 157 | 105.6 Ų | 105.6 | 62% | 0.616 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.1 | -40.7 | 176.6 | -174.4 | -99.7 | 0 | 0 | 0 | 112.6 | G759 S760 Y766 T767 | G759-Y763 WeakPolarHBondContact O-CB 3.41Å; G759-Y763 PolarHBondContact O-N 3.45Å; S760-Y763 PolarHBondContact O-N 3.05Å; Y763-Y766 PolarHBondContact O-N 3.46Å; Y763-T767 HydrophobicContact CD1-CG2 4.35Å; Y763-T767 HydrophobicContact CE1-CG2 4.02Å; Y763-T767 HydrophobicContact CE2-CG2 4.49Å; Y763-T767 WeakPolarHBondContact O-CB 3.49Å; Y763-T767 WeakPolarHBondContact O-CG2 3.41Å; Y763-T767 PolarHBondContact O-N 3.26Å; Y763-T767 PolarHBondContact O-OG1 3.41Å |
| 764 | I | 70.3 | Confident | 67.9 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 54% | 0.544 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.2 | -35.6 | 175.7 | -66.9 | 168.1 | 0 | 0 | 0 | 111.3 | S760 G761 T767 K768 | S760-I764 VanDerWaalsContact O-CG1 3.28Å; S760-I764 WeakPolarHBondContact O-CG1 3.46Å; S760-I764 PolarHBondContact O-N 3.01Å; G761-I764 PolarHBondContact O-N 2.8Å; I764-T767 WeakPolarHBondContact CA-OG1 3.38Å; I764-T767 PolarHBondContact O-OG1 2.95Å; I764-T767 VanDerWaalsContact O-OG1 3.07Å; I764-K768 PolarHBondContact O-N 3.25Å |
| 765 | Y | 74.5 | Confident | 66.3 | Low | 156 Ų | 156 | 112 Ų | 112 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.4 | -44.2 | 174.6 | -178.3 | -101.9 | 0 | 0 | 0 | 112.3 | G761 V762 K768 L769 | G761-Y765 WeakPolarHBondContact O-CB 3.34Å; G761-Y765 PolarHBondContact O-N 3.44Å; V762-Y765 PolarHBondContact O-N 3.06Å; Y765-K768 PolarHBondContact O-N 3.16Å; Y765-L769 HydrophobicContact CD1-CD1 4.34Å; Y765-L769 HydrophobicContact CE1-CD1 3.77Å; Y765-L769 HydrophobicContact CE2-CD1 3.99Å; Y765-L769 PolarHBondContact O-N 3.41Å |
| 766 | Y | 67.1 | Low | 64.2 | Low | 150 Ų | 150 | 110.9 Ų | 110.9 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -38 | 178.9 | -116.7 | -85.9 | 0 | 0 | 0 | 113.1 | V762 Y763 K768 L769 Q770 | V762-Y766 PolarHBondContact O-N 3.21Å; Y763-Y766 PolarHBondContact O-N 3.46Å; Y766-K768 VanDerWaalsContact C-N 3.35Å; Y766-L769 PolarHBondContact O-N 3.36Å; Y766-Q770 PolarHBondContact O-N 3.46Å |
| 767 | T | 63.7 | Low | 62.4 | Low | 30 Ų | 30 | 114.1 Ų | 114.1 | 18% | 0.184 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -69.6 | -30.8 | 178.2 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | Y763 I764 | Y763-T767 HydrophobicContact CD1-CG2 4.35Å; Y763-T767 HydrophobicContact CE1-CG2 4.02Å; Y763-T767 HydrophobicContact CE2-CG2 4.49Å; Y763-T767 WeakPolarHBondContact O-CB 3.49Å; Y763-T767 WeakPolarHBondContact O-CG2 3.41Å; Y763-T767 PolarHBondContact O-N 3.26Å; Y763-T767 PolarHBondContact O-OG1 3.41Å; I764-T767 WeakPolarHBondContact CA-OG1 3.38Å; I764-T767 PolarHBondContact O-OG1 2.95Å; I764-T767 VanDerWaalsContact O-OG1 3.07Å |
| 768 | K | 62.4 | Low | 60.1 | Low | 180 Ų | 180 | 115.5 Ų | 115.5 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.8 | -32.1 | 171.2 | -92.2 | -104 | -178.5 | 174.1 | 0 | 113.9 | I764 Y765 Y766 | I764-K768 PolarHBondContact O-N 3.25Å; Y765-K768 PolarHBondContact O-N 3.16Å; Y766-K768 VanDerWaalsContact C-N 3.35Å |
| 769 | L | 64.3 | Low | 57.9 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.1 | -23 | 178 | -116.4 | 107.9 | 0 | 0 | 0 | 113.5 | Y765 Y766 | Y765-L769 HydrophobicContact CD1-CD1 4.34Å; Y765-L769 HydrophobicContact CE1-CD1 3.77Å; Y765-L769 HydrophobicContact CE2-CD1 3.99Å; Y765-L769 PolarHBondContact O-N 3.41Å; Y766-L769 PolarHBondContact O-N 3.36Å |
| 770 | Q | 56.8 | Low | 55.8 | Low | 138 Ų | 138 | 116.7 Ų | 116.7 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 7.3 | -178.5 | -73.1 | -170.3 | -17.5 | 0 | 0 | 114.9 | Y766 K772 | Y766-Q770 PolarHBondContact O-N 3.46Å; Q770-K772 VanDerWaalsContact C-N 3.32Å; Q770-K772 PolarHBondContact O-N 2.91Å |
| 771 | G | 58.6 | Low | 54 | Low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.8 | 30.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 772 | K | 55.8 | Low | 51.8 | Low | 175 Ų | 175 | 127.3 Ų | 127.3 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | trans | -111 | 126.3 | 173.9 | -78.8 | 179.8 | 176.4 | 174.5 | 0 | 111.3 | Q770 | Q770-K772 VanDerWaalsContact C-N 3.32Å; Q770-K772 PolarHBondContact O-N 2.91Å | ||
| 773 | S | 45.3 | Very low | 49.6 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -66.6 | 134.4 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 774 | L | 48.3 | Very low | 47.7 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 59% | 0.586 | 71% | 0.712 | S | S | * | * | trans | -103.2 | 114.1 | 174.2 | -85.4 | 156.7 | 0 | 0 | 0 | 108.9 | ||||
| 775 | F | 42.6 | Very low | 46.8 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 75% | 0.746 | 72% | 0.717 | S | S | * | * | trans | 83.2 | 117.1 | 170.1 | -78.5 | -89.4 | 0 | 0 | 0 | 120.4 | ||||
| 776 | G | 32.6 | Very low | 44.7 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -126 | 132.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 777 | F | 37.2 | Very low | 43 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | -86.2 | 151.5 | -161.1 | -80.4 | -98.3 | 0 | 0 | 0 | 116.1 | ||||
| 778 | S | 31.8 | Very low | 41.5 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -171.1 | 132.8 | 140.8 | -68.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 779 | G | 34.1 | Very low | 40 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | 142.3 | 122.9 | 28.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 780 | S | 33 | Very low | 38.4 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 146 | -159.4 | 54.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 781 | H | 31.3 | Very low | 37.2 | Very low | 201 Ų | 201 | 130.6 Ų | 130.6 | 93% | 0.931 | 77% | 0.765 | S | S | * | * | trans | -143.3 | 134.5 | 136.1 | -95.9 | -79.6 | 0 | 0 | 0 | 111.5 | ||||
| 782 | S | 30.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -94.4 | 151.3 | -178.7 | -72.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 783 | Y | 31.7 | Very low | 34.6 | Very low | 221 Ų | 221 | 133.2 Ų | 133.2 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -44.4 | 133.3 | 172 | -101.1 | -113.9 | 0 | 0 | 0 | 115.2 | ||||
| 784 | S | 30.8 | Very low | 33.9 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | 100.3 | 167 | 78.2 | 87.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 785 | P | 50.1 | Low | 34.2 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | -145.3 | -170.1 | -4.5 | 41.8 | -21.2 | 0 | 0 | 0 | 115.3 | ||||
| 786 | I | 31.3 | Very low | 33.6 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | trans | 86.5 | 99.6 | 152.8 | -68.5 | 167.7 | 0 | 0 | 0 | 119.4 | ||||
| 787 | T | 30.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | 41 | 138.5 | 124.1 | 75 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 788 | V | 32.1 | Very low | 33.4 | Very low | 104 Ų | 104 | 138 Ų | 138 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | trans | 78.6 | 133 | 145.4 | -109.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 789 | E | 31.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | 59.6 | 116.4 | 151.2 | -77.4 | 117.7 | -160.3 | 0 | 0 | 119.8 | ||||
| 790 | S | 30.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | -179.2 | 130.8 | 99.3 | 34.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 791 | D | 31.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -64.3 | 158.8 | 164.5 | -108.3 | -31.7 | 0 | 0 | 0 | 112.1 | ||||
| 792 | F | 29.3 | Very low | 33.5 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 64.5 | 114.8 | 150.3 | -87.3 | -109.2 | 0 | 0 | 0 | 119.8 | ||||
| 793 | S | 30.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -178 | 127.7 | 104.4 | -74 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 794 | N | 30.6 | Very low | 33.9 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -57.5 | -176.2 | 158 | -151.4 | 20.4 | 0 | 0 | 0 | 110.6 | ||||
| 795 | P | 54.2 | Low | 34 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 57% | 0.571 | 77% | 0.765 | S | S | * | * | cis | -134.3 | -169.8 | -20.3 | 13.9 | 14.6 | 0 | 0 | 0 | 113.6 | ||||
| 796 | L | 30.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | 79.3 | 112.5 | 150.6 | -78.3 | 136.7 | 0 | 0 | 0 | 119.2 | ||||
| 797 | Y | 31.1 | Very low | 33.6 | Very low | 231 Ų | 231 | 146.4 Ų | 146.4 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | -158.8 | 132.3 | 97.7 | -117.5 | -87.2 | 0 | 0 | 0 | 111.9 | |||||
| 798 | E | 33.3 | Very low | 33.8 | Very low | 166 Ų | 166 | 145.5 Ų | 145.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 173.5 | 170.5 | -76.1 | 174.4 | 127.9 | 0 | 0 | 113.3 | ||||
| 799 | A | 34.6 | Very low | 34.3 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | 97.6 | 123.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 800 | G | 29.7 | Very low | 34.5 | Very low | 73 Ų | 73 | 151.5 Ų | 151.5 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | 170 | 166.7 | 5.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 801 | D | 32.4 | Very low | 34.7 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 73.1 | 95.8 | 158.5 | -94.2 | 4.6 | 0 | 0 | 0 | 122 | ||||
| 802 | T | 36 | Very low | 34.8 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | 48.8 | 125.8 | 114.5 | 64.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 803 | R | 34.7 | Very low | 35.2 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | -163.8 | 116.6 | 111.7 | -99.8 | 162.7 | -171.4 | -156.4 | 0.8 | 111.2 | |||||
| 804 | E | 37.3 | Very low | 35.4 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -75.6 | 148.7 | 165.6 | -62.2 | 172.3 | 151.8 | 0 | 0 | 110.8 | ||||
| 805 | Y | 33.1 | Very low | 35.8 | Very low | 207 Ų | 207 | 154.2 Ų | 154.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -155.8 | 107.9 | 131.6 | -65.1 | -68.5 | 0 | 0 | 0 | 105.6 | ||||
| 806 | E | 37.3 | Very low | 34.4 | Very low | 176 Ų | 176 | 158.9 Ų | 158.9 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | 42.8 | 128.6 | 102.3 | -101.4 | -178.6 | 164.1 | 0 | 0 | 113.7 | |||||
| 807 | V | 34 | Very low | 34.7 | Very low | 134 Ų | 134 | 161.2 Ų | 161.2 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | -155.5 | 140.4 | 64.3 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 808 | S | 36.1 | Very low | 35 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 67% | 0.671 | 83% | 0.828 | S | S | * | * | trans | -90.2 | 139.1 | 158.2 | 27.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 809 | I | 42 | Very low | 35.2 | Very low | 245 Ų | 245 | 154.5 Ų | 154.5 | 100% | 1.256 | 83% | 0.832 | S | S | * | * | -174.3 | 0 | 123.7 | -84.6 | 154.1 | 0 | 0 | 0 | 107 |
Retrieved 809 of 809 residues in 281 ms
(Link to these results)