| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.5 | Very low | 34 | Very low | 256 Ų | 256 | 146.2 Ų | 146.2 | 100% | 1.261 | 82% | 0.824 | S | S | * | * | 0 | 121.2 | 0 | -57.4 | 166.4 | -173.4 | 0 | 0 | 105.3 | |||||
| 2 | G | 31.4 | Very low | 33.7 | Very low | 61 Ų | 61 | 144.4 Ų | 144.4 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | cis | 134.8 | 72.8 | 13.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | T | 30.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | 66.5 | 146 | 90.9 | 61.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 4 | P | 49 | Very low | 33.1 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | cis | -144 | -176.2 | -39.4 | 41.5 | -23.9 | 0 | 0 | 0 | 114.5 | ||||
| 5 | R | 31 | Very low | 33.1 | Very low | 233 Ų | 233 | 150.1 Ų | 150.1 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | 30 | 130.1 | 149 | -79.9 | -177.2 | 168.8 | 174.4 | -3.5 | 122.9 | ||||
| 6 | A | 29.9 | Very low | 32.6 | Very low | 91 Ų | 91 | 152.6 Ų | 152.6 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | -158.7 | 130.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 7 | Q | 28.5 | Very low | 32.4 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | 77.3 | 118.4 | 54.6 | -75.5 | -171.8 | -40.4 | 0 | 0 | 115.4 | |||||
| 8 | H | 37.1 | Very low | 32 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | trans | -75 | 149.5 | 170.4 | -76.8 | -80.9 | 0 | 0 | 0 | 112.5 | ||||
| 9 | P | 31.6 | Very low | 31.6 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -110.4 | 160.4 | 151.7 | 4.7 | 17.1 | 0 | 0 | 0 | 113 | ||||
| 10 | P | 34.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -90.1 | 173.7 | -174.8 | 37.6 | -37.6 | 0 | 0 | 0 | 114.2 | ||||
| 11 | P | 35.5 | Very low | 31.1 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -81.8 | 153.7 | -176.1 | 33.2 | -37.2 | 0 | 0 | 0 | 114.2 | ||||
| 12 | P | 30.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -86.1 | 114.5 | 167.1 | 32.9 | -29.9 | 0 | 0 | 0 | 111.3 | ||||
| 13 | Q | 31.2 | Very low | 31.4 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -72 | 137.3 | 153.3 | -72.5 | -174.5 | -9.4 | 0 | 0 | 109 | ||||
| 14 | L | 27.8 | Very low | 31.2 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -147.4 | 118.1 | 160.6 | -141.7 | 86.3 | 0 | 0 | 0 | 109.3 | ||||
| 15 | L | 33.4 | Very low | 30.4 | Very low | 159 Ų | 159 | 148 Ų | 148 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -142.8 | 92.4 | -175.6 | -165.6 | 167.5 | 0 | 0 | 0 | 109.6 | ||||
| 16 | F | 26 | Very low | 30.4 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | -177.2 | 146.9 | -179.6 | -93.4 | -32.1 | 0 | 0 | 0 | 107.6 | ||||
| 17 | L | 27.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 144 Ų | 144 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | cis | -148.2 | 138.4 | -3.5 | -92.3 | 159.2 | 0 | 0 | 0 | 110.5 | ||||
| 18 | I | 25.4 | Very low | 30.5 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 67% | 0.672 | 78% | 0.778 | S | S | * | * | trans | 25 | 133.2 | 131.8 | -46 | 176.8 | 0 | 0 | 0 | 120.7 | ||||
| 19 | L | 24.5 | Very low | 31.1 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 149.6 | 123.1 | 135.1 | -79.1 | 174.2 | 0 | 0 | 0 | 108.7 | ||||
| 20 | L | 24.8 | Very low | 30.9 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | 63.5 | 134.4 | 52.4 | -60.1 | 174.2 | 0 | 0 | 0 | 114.2 | |||||
| 21 | S | 27.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -172.1 | 166.6 | -15.3 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 22 | C | 25.8 | Very low | 30.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 66.3 | 159.4 | 157.4 | -65.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 23 | P | 46.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | -133.6 | 146.4 | 77.7 | 17.4 | 5.2 | 0 | 0 | 0 | 117.1 | |||||
| 24 | W | 26.7 | Very low | 30.2 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | 71.6 | 137.9 | 147.5 | -62.9 | 15.2 | 0 | 0 | 0 | 117.5 | ||||
| 25 | I | 31.6 | Very low | 30.1 | Very low | 126 Ų | 126 | 144 Ų | 144 | 65% | 0.646 | 75% | 0.748 | S | S | * | * | cis | -163.2 | 155.2 | 1.9 | -116.7 | 176 | 0 | 0 | 0 | 106 | ||||
| 26 | Q | 30.9 | Very low | 30 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | cis | -149.2 | 173.4 | 6.6 | -114.4 | 165.2 | 8.9 | 0 | 0 | 107.2 | ||||
| 27 | G | 27.7 | Very low | 30.7 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | cis | 145.7 | 118.4 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 28 | L | 33.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | 75.4 | 153.4 | 160.5 | -60.4 | 170.7 | 0 | 0 | 0 | 119.7 | ||||
| 29 | P | 48.9 | Very low | 32.2 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -140.1 | 172.2 | -26.1 | 34.5 | -15 | 0 | 0 | 0 | 117.4 | ||||
| 30 | L | 27.8 | Very low | 32.3 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 105.9 | 143.2 | 150.5 | -58.1 | 174.7 | 0 | 0 | 0 | 117.3 | ||||
| 31 | K | 27.2 | Very low | 32.4 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | cis | -173.2 | 124.5 | -22.8 | -173.4 | -178.5 | 177.9 | -169.5 | 0 | 109.8 | ||||
| 32 | E | 31.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | 46.2 | 177 | 158.3 | -76.5 | 78.6 | -68.3 | 0 | 0 | 119.2 | ||||
| 33 | E | 29.4 | Very low | 32.4 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | cis | -150 | 120.6 | -11.2 | -115.9 | 150.5 | -96.2 | 0 | 0 | 103.8 | ||||
| 34 | E | 29.1 | Very low | 32.7 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | 78.5 | 151.3 | 78.5 | -152.5 | 178 | -127.5 | 0 | 0 | 116.9 | |||||
| 35 | I | 27.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 111.3 | 122.3 | 157.3 | -57.9 | 170.5 | 0 | 0 | 0 | 118.5 | ||||
| 36 | L | 29.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -102.8 | 172.9 | 167.3 | -129.7 | 84.1 | 0 | 0 | 0 | 109 | ||||
| 37 | P | 42 | Very low | 32.2 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -149.4 | -173.4 | 46.4 | 40.5 | -17.1 | 0 | 0 | 0 | 117.5 | ||||
| 38 | E | 31.8 | Very low | 32.2 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -79.7 | -165.3 | 167.7 | -32.8 | -179 | 127 | 0 | 0 | 112.5 | ||||
| 39 | P | 53 | Low | 31.9 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -130.6 | 180 | -18.6 | 27 | -4.5 | 0 | 0 | 0 | 113.7 | ||||
| 40 | G | 26 | Very low | 30.9 | Very low | 84 Ų | 84 | 134 Ų | 134 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | 177.6 | 142.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 41 | S | 25.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -108.6 | 143.8 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 42 | E | 27.9 | Very low | 31 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | 175.2 | 173.7 | 132 | -98.6 | 170.7 | -162.5 | 0 | 0 | 112.7 | ||||
| 43 | T | 25.8 | Very low | 31 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -122.7 | -172.6 | -174.2 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | P | 53.7 | Low | 31.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | -132.5 | 153.4 | -61.3 | 36.7 | -21.1 | 0 | 0 | 0 | 114.3 | |||||
| 45 | T | 25 | Very low | 31.1 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | -152.5 | 133.2 | 157.4 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 46 | V | 26.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 81 | 105.6 | 50.2 | 176.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 47 | A | 26.4 | Very low | 31.2 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | 62.9 | 152.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 48 | S | 28.1 | Very low | 30.7 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | cis | -170.7 | 176.3 | -20.5 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 49 | E | 27.4 | Very low | 30.6 | Very low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 70 | 155.1 | 159.6 | -66.3 | -177 | 138.9 | 0 | 0 | 118.5 | ||||
| 50 | A | 28.6 | Very low | 29.6 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 58% | 0.579 | 75% | 0.754 | S | S | * | * | cis | -171.3 | 176.9 | -23.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 51 | L | 28.1 | Very low | 29.9 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | 67.8 | 153.6 | 165.6 | -65.3 | 127.2 | 0 | 0 | 0 | 115.4 | ||||
| 52 | A | 27.9 | Very low | 29.9 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | cis | -170.5 | 167.5 | -8.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 53 | E | 32.6 | Very low | 29.7 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | cis | -178.3 | -173.3 | -21 | -173.5 | -169.3 | -146.7 | 0 | 0 | 105.8 | ||||
| 54 | L | 29.9 | Very low | 31 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | 82.1 | 138.6 | 155.6 | -57.9 | 175.1 | 0 | 0 | 0 | 117.5 | ||||
| 55 | L | 29.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | cis | -149.2 | 126.3 | 1.7 | -97.9 | 136.7 | 0 | 0 | 0 | 112.4 | ||||
| 56 | H | 29.4 | Very low | 30.2 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | 54.4 | 153.6 | 125.4 | -63.4 | 35.5 | 0 | 0 | 0 | 122 | |||||
| 57 | G | 30.5 | Very low | 30.2 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | cis | 157 | -179.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 58 | A | 31.7 | Very low | 30.2 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | 90.7 | 146.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 59 | L | 29.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | cis | -169.4 | 138.4 | -15.7 | -103.4 | 176.5 | 0 | 0 | 0 | 112.8 | ||||
| 60 | L | 32.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 161.5 | 149.8 | -55.5 | 170.4 | 0 | 0 | 0 | 118.9 | ||||
| 61 | R | 31 | Very low | 31.2 | Very low | 207 Ų | 207 | 136.4 Ų | 136.4 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | cis | -169.4 | 174.2 | -0.7 | -118.3 | 167.3 | -167.5 | 157.1 | 6.2 | 108.3 | ||||
| 62 | R | 27.2 | Very low | 31.3 | Very low | 227 Ų | 227 | 133.8 Ų | 133.8 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | cis | -163.3 | 169.9 | -8.5 | -160.3 | -171.4 | 178 | 176.8 | -0.7 | 109 | ||||
| 63 | G | 24.1 | Very low | 31.3 | Very low | 61 Ų | 61 | 136.8 Ų | 136.8 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -86 | -152.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 64 | P | 52.1 | Low | 31.1 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | -149.2 | 174.8 | 27.8 | 45.8 | -26.6 | 0 | 0 | 0 | 119.8 | ||||
| 65 | E | 34.1 | Very low | 31.2 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 49.2 | 156.3 | 139.9 | -70.4 | 159.9 | -145.5 | 0 | 0 | 122.2 | ||||
| 66 | M | 27 | Very low | 31.7 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | cis | -164.1 | 155.9 | 36.7 | -161.2 | 179.1 | -62.9 | 0 | 0 | 109.7 | ||||
| 67 | G | 26.5 | Very low | 31.7 | Very low | 60 Ų | 60 | 138.7 Ų | 138.7 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 150.9 | 140.3 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 68 | Y | 26.4 | Very low | 31.7 | Very low | 234 Ų | 234 | 143 Ų | 143 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | -172.7 | 146.2 | 154 | -111.4 | -70.3 | 0 | 0 | 0 | 113.4 | ||||
| 69 | L | 26.6 | Very low | 31.5 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -162.1 | -178.4 | -175.1 | -79 | -179.5 | 0 | 0 | 0 | 108.7 | ||||
| 70 | P | 51.1 | Low | 31.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | cis | -137.1 | -175.1 | -48.2 | 39.8 | -23.4 | 0 | 0 | 0 | 114.2 | ||||
| 71 | G | 28.4 | Very low | 32 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 102.3 | 156.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 72 | S | 28.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -156.1 | 167.4 | -4.4 | 65.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 73 | D | 28.1 | Very low | 33.4 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -20.9 | 139.6 | 174 | -47.1 | -43.2 | 0 | 0 | 0 | 120.4 | ||||
| 74 | R | 29.3 | Very low | 33.6 | Very low | 247 Ų | 247 | 132.4 Ų | 132.4 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | 175.9 | 132.5 | 105.5 | -97.6 | 173 | 168.6 | -173.9 | -5.4 | 115.4 | |||||
| 75 | D | 30.9 | Very low | 32.7 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -90.1 | 163.2 | 149.3 | -127.3 | -27 | 0 | 0 | 0 | 108.1 | ||||
| 76 | P | 40.3 | Very low | 32.3 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | cis | -152.3 | -174.4 | 49.4 | 40.4 | -17 | 0 | 0 | 0 | 118.6 | ||||
| 77 | T | 28.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 81.6 | 115.4 | 145.6 | 38 | 0 | 0 | 0 | 0 | 124 | ||||
| 78 | L | 30.6 | Very low | 32.7 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | 81.3 | 99.5 | 121.1 | -144.5 | 79 | 0 | 0 | 0 | 123.2 | |||||
| 79 | A | 28.2 | Very low | 32.8 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | 49.5 | 116.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 80 | T | 26.5 | Very low | 33.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 49.7 | 156.1 | 130.3 | 63.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 81 | P | 45.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -122.8 | -108.6 | -23.7 | 23.8 | 1.8 | 0 | 0 | 0 | 115.6 | ||||
| 82 | P | 56.5 | Low | 32.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | -130 | 176.8 | -121.7 | 42.3 | -24.4 | 0 | 0 | 0 | 119.3 | |||||
| 83 | A | 31.1 | Very low | 33.8 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | 77.8 | 148.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 84 | G | 29.6 | Very low | 33.9 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 152.5 | 126.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 85 | Q | 31.6 | Very low | 34 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -107 | 154.4 | -175.5 | -59 | 164.8 | -21.2 | 0 | 0 | 113.8 | ||||
| 86 | T | 26.8 | Very low | 34 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | 179 | 139 | 141.8 | 14.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 87 | L | 32.2 | Very low | 33.5 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | cis | 71.1 | 135.8 | 34 | -63.6 | 170.2 | 0 | 0 | 0 | 113.8 | ||||
| 88 | A | 28.9 | Very low | 34.5 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | -154.4 | 157.9 | 18.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 89 | V | 28.3 | Very low | 34.3 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 69.2 | 150.6 | 87 | 177.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 90 | P | 48.2 | Very low | 34.4 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | cis | -122.3 | -167.8 | 12.4 | 20.1 | 8.4 | 0 | 0 | 0 | 114.7 | ||||
| 91 | S | 28.2 | Very low | 34.4 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | cis | -155.8 | 179.9 | 29.4 | 62.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 92 | L | 30 | Very low | 34.6 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -132.4 | -170.2 | -173.4 | -108.1 | 79.9 | 0 | 0 | 0 | 109.2 | ||||
| 93 | P | 50.8 | Low | 33.3 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | cis | -138.9 | -175.8 | -22.6 | 32.3 | -10.7 | 0 | 0 | 0 | 116 | ||||
| 94 | R | 29.4 | Very low | 33.2 | Very low | 247 Ų | 247 | 129.8 Ų | 129.8 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | 133.5 | 156.4 | 121.5 | -155.6 | 161 | -170.4 | 150 | 5.1 | 116.6 | |||||
| 95 | A | 31.8 | Very low | 33.2 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -140 | 173.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 96 | T | 29.9 | Very low | 33.2 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -153.5 | 151.7 | 172.9 | -12.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 97 | E | 31.3 | Very low | 33.3 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -113.9 | -151.6 | 169.3 | -53.1 | -178.6 | 116.4 | 0 | 0 | 110.1 | ||||
| 98 | P | 49.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -127 | 170.7 | -61.9 | 26 | -6.9 | 0 | 0 | 0 | 115 | |||||
| 99 | G | 26.5 | Very low | 34 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | 105.7 | 144.2 | 126.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 100 | T | 29.7 | Very low | 34.1 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 95% | 0.945 | 81% | 0.805 | S | S | * | * | trans | 79.2 | 141.2 | 153.3 | -3.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 101 | G | 27.4 | Very low | 33.1 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -98.4 | -142.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 102 | P | 49.5 | Very low | 33.1 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -143.9 | -159.4 | 17.4 | 41.3 | -18.9 | 0 | 0 | 0 | 116.3 | ||||
| 103 | L | 28.5 | Very low | 32.9 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 79.4 | 142.7 | 168.6 | -62.9 | 156.2 | 0 | 0 | 0 | 116.4 | ||||
| 104 | T | 30.6 | Very low | 31.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | cis | -128 | -179.1 | 15.6 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 105 | T | 29.3 | Very low | 31.3 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -100.1 | 139.1 | -170.3 | 50 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 106 | A | 30 | Very low | 31.1 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 172.4 | 159.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 107 | V | 30 | Very low | 31.9 | Very low | 141 Ų | 141 | 123 Ų | 123 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | cis | -157.1 | 168.3 | -45.9 | 98.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 108 | T | 29.4 | Very low | 31.8 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -108.5 | -176.2 | -175.6 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 109 | P | 45.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -144.2 | -163.2 | 12.7 | 45.8 | -24.2 | 0 | 0 | 0 | 117.5 | ||||
| 110 | N | 29.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 120.3 Ų | 120.3 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -72.8 | 154.8 | -176 | -50.9 | -34.8 | 0 | 0 | 0 | 116 | ||||
| 111 | G | 27.2 | Very low | 31.7 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | 120.5 | 123.3 | 113.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 112 | V | 28 | Very low | 31.8 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 133.2 | 133.4 | 178.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 113 | R | 25.8 | Very low | 30.9 | Very low | 246 Ų | 246 | 126 Ų | 126 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | trans | 66 | 148.8 | 173.4 | -67.6 | 160.1 | -175.2 | -170.5 | 0.8 | 115.6 | ||||
| 114 | G | 23.8 | Very low | 30.8 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | 146.3 | 129.8 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 115 | A | 24.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 153.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 116 | G | 26 | Very low | 32.5 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | 95 | 162.5 | 12.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 117 | P | 47.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | cis | -95.6 | -133.3 | -2.3 | 20 | 2.1 | 0 | 0 | 0 | 110.3 | ||||
| 118 | T | 29.3 | Very low | 33.3 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -167 | 166.7 | 5.3 | -11.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 119 | A | 29.7 | Very low | 33.4 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -160.3 | -179.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 120 | P | 44.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -131.1 | 155.2 | -10.2 | 42 | -26.7 | 0 | 0 | 0 | 115 | ||||
| 121 | E | 29.8 | Very low | 32.5 | Very low | 169 Ų | 169 | 118.7 Ų | 118.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | 60.9 | 144.9 | 126.4 | -66.3 | -172.2 | 99.1 | 0 | 0 | 123.4 | |||||
| 122 | L | 29.2 | Very low | 33 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -166.4 | 164.8 | -15.1 | -161.3 | 69.5 | 0 | 0 | 0 | 110.8 | ||||
| 123 | L | 29.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 79.4 | 165.1 | 163.7 | -55.5 | -177.2 | 0 | 0 | 0 | 119.3 | ||||
| 124 | T | 27.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -133.6 | -155.5 | -150.7 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 125 | P | 45.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | -113.5 | -155.1 | -129 | 40.6 | -19.7 | 0 | 0 | 0 | 112.8 | |||||
| 126 | P | 49.7 | Very low | 35.8 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -104.7 | -141.6 | -40.6 | 42.6 | -29.1 | 0 | 0 | 0 | 108.1 | ||||
| 127 | P | 45.1 | Very low | 37.3 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | cis | -122.7 | -133.3 | -24 | 40.4 | -21.5 | 0 | 0 | 0 | 110.8 | ||||
| 128 | G | 32.4 | Very low | 36.6 | Very low | 61 Ų | 61 | 118.5 Ų | 118.5 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -164.5 | 162.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 129 | T | 29.8 | Very low | 36.7 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -177.8 | 151.2 | 159.7 | 9.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 130 | T | 29.1 | Very low | 37.6 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | 68.1 | 157.2 | 163.2 | 39.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 131 | A | 28 | Very low | 36.8 | Very low | 93 Ų | 93 | 118.6 Ų | 118.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -109.7 | -163.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 132 | P | 37.7 | Very low | 37.4 | Very low | 121 Ų | 121 | 116.2 Ų | 116.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -120.7 | -140.8 | -5.1 | 40.6 | -19.3 | 0 | 0 | 0 | 110.6 | ||||
| 133 | P | 41.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 115.1 Ų | 115.1 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | -131.3 | -176.3 | -12.9 | 41.9 | -23.1 | 0 | 0 | 0 | 115.8 | ||||
| 134 | P | 57.9 | Low | 38.4 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -106.2 | 167.5 | -175.2 | 40.5 | -35.2 | 0 | 0 | 0 | 116.3 | ||||
| 135 | P | 33.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -141.2 | 170.5 | 151.5 | 40.2 | -25.7 | 0 | 0 | 0 | 116.3 | ||||
| 136 | S | 30.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -118.4 | -158 | 163.6 | -46.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 137 | P | 56.1 | Low | 37.7 | Very low | 120 Ų | 120 | 117.2 Ų | 117.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -137.9 | -152.2 | -13.7 | 39 | -16.6 | 0 | 0 | 0 | 113.4 | ||||
| 138 | A | 32.3 | Very low | 37 | Very low | 88 Ų | 88 | 114.9 Ų | 114.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 81.3 | 150.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 139 | S | 32.3 | Very low | 36.9 | Very low | 107 Ų | 107 | 116 Ų | 116 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -176.5 | -166.1 | -4.5 | -107 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 140 | P | 47.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | cis | -136 | -179.1 | -46.3 | 38.9 | -22.5 | 0 | 0 | 0 | 114.3 | ||||
| 141 | G | 28.3 | Very low | 37.1 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 162.6 | 90.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 142 | P | 43.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -99.6 | 162.9 | 178.1 | 40.5 | -35.5 | 0 | 0 | 0 | 113.4 | ||||
| 143 | P | 47.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -158.2 | 156.5 | 90.9 | 40.2 | -20.4 | 0 | 0 | 0 | 119.4 | |||||
| 144 | L | 32.2 | Very low | 37.1 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | 53.7 | 139.1 | 146.7 | -59.9 | 164 | 0 | 0 | 0 | 121.2 | ||||
| 145 | G | 28.2 | Very low | 35.8 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | 143.7 | 159.5 | 1.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 146 | P | 45.5 | Very low | 36 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -129.5 | 173.1 | 7.2 | 43.4 | -28 | 0 | 0 | 0 | 116.6 | ||||
| 147 | E | 33.5 | Very low | 36.2 | Very low | 196 Ų | 196 | 127 Ų | 127 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 36.5 | 137.3 | 146.3 | -63.4 | 170.5 | 142.9 | 0 | 0 | 122.4 | ||||
| 148 | G | 31 | Very low | 35.4 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | cis | 162 | -177.5 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 149 | G | 30.7 | Very low | 35.3 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | 104.3 | 122.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 150 | E | 33.5 | Very low | 35.2 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -100.9 | 143.7 | 169.7 | -62.2 | 164.1 | 125.6 | 0 | 0 | 109.5 | ||||
| 151 | E | 29.8 | Very low | 34.7 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | 169.2 | 160.9 | 130.8 | -94.8 | -176 | 173.7 | 0 | 0 | 111.6 | ||||
| 152 | E | 36.9 | Very low | 34.8 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -80.7 | 117.3 | -170.4 | -61 | -177.7 | 123.1 | 0 | 0 | 112.9 | ||||
| 153 | T | 28.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -96.8 | 106.3 | 165.4 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | T155 | T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 PolarHBondContact O-OG1 2.64Å | ||
| 154 | T | 40.7 | Very low | 33.6 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -69 | 77.2 | 170.4 | -46.4 | 0 | 0 | 0 | 0 | 110.6 | T156 | T154-T156 PolarHBondContact O-N 2.65Š| ||
| 155 | T | 30.8 | Very low | 33.5 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | trans | -79.4 | 107.7 | -178.8 | -53 | 0 | 0 | 0 | 0 | 109.9 | T153 I157 | T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 PolarHBondContact O-OG1 2.64Å; T155-I157 PolarHBondContact O-N 2.74Å | ||
| 156 | T | 36.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -65.2 | 94.4 | 170 | 48.5 | 0 | 0 | 0 | 0 | 110 | T154 I158 | T154-T156 PolarHBondContact O-N 2.65Å; T156-I158 PolarHBondContact O-N 2.92Å | ||
| 157 | I | 34.7 | Very low | 33.1 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -67.6 | 106.1 | 171.1 | -61 | 177.3 | 0 | 0 | 0 | 107.6 | T155 T159 | T155-I157 PolarHBondContact O-N 2.74Å; I157-T159 PolarHBondContact O-N 2.82Å | ||
| 158 | I | 39.4 | Very low | 33.1 | Very low | 144 Ų | 144 | 128 Ų | 128 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -70.5 | 90.7 | 165.3 | -59.2 | 175.6 | 0 | 0 | 0 | 106.4 | T156 T160 | T156-I158 PolarHBondContact O-N 2.92Å; I158-T160 HydrophobicContact CG2-CG2 4.46Å; I158-T160 PolarHBondContact O-N 3.44Å | ||
| 159 | T | 31.6 | Very low | 33.2 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -68.8 | 87 | 172.2 | -51.7 | 0 | 0 | 0 | 0 | 108.2 | I157 T161 | I157-T159 PolarHBondContact O-N 2.82Å; T159-T161 PolarHBondContact O-N 3.31Å | ||
| 160 | T | 29.8 | Very low | 33.9 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | trans | -57.6 | 109.7 | 166.6 | 46.4 | 0 | 0 | 0 | 0 | 107.9 | I158 T162 | I158-T160 HydrophobicContact CG2-CG2 4.46Å; I158-T160 PolarHBondContact O-N 3.44Å; T160-T162 PolarHBondContact O-N 2.87Å | ||
| 161 | T | 35.8 | Very low | 34.8 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -67.7 | 79.1 | 169.1 | 29 | 0 | 0 | 0 | 0 | 109 | T159 V163 | T159-T161 PolarHBondContact O-N 3.31Å; T161-V163 VanDerWaalsContact C-N 3.34Å; T161-V163 PolarHBondContact O-N 2.83Å | ||
| 162 | T | 31.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | trans | -57.4 | 104.5 | 157.7 | 48.9 | 0 | 0 | 0 | 0 | 106.5 | T160 T164 | T160-T162 PolarHBondContact O-N 2.87Å; T162-T164 PolarHBondContact O-N 3.11Å; T162-T164 PolarHBondContact O-OG1 2.74Å | ||
| 163 | V | 36.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | -65.9 | 88.8 | 167.1 | 179.1 | 0 | 0 | 0 | 0 | 106 | T161 T165 | T161-V163 VanDerWaalsContact C-N 3.34Å; T161-V163 PolarHBondContact O-N 2.83Å; V163-T165 HydrophobicContact CG1-CG2 4.35Å; V163-T165 PolarHBondContact O-N 2.87Å | ||
| 164 | T | 29.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | trans | -68.2 | 86.2 | 171.6 | -50.3 | 0 | 0 | 0 | 0 | 106.3 | T162 T166 | T162-T164 PolarHBondContact O-N 3.11Å; T162-T164 PolarHBondContact O-OG1 2.74Å; T164-T166 VanDerWaalsContact C-N 3.35Å; T164-T166 PolarHBondContact O-N 2.9Å | ||
| 165 | T | 29.6 | Very low | 41.7 | Very low | 112 Ų | 112 | 108 Ų | 108 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | trans | -55.2 | 104.5 | 168 | 47.8 | 0 | 0 | 0 | 0 | 106.8 | V163 V167 | V163-T165 HydrophobicContact CG1-CG2 4.35Å; V163-T165 PolarHBondContact O-N 2.87Å; T165-V167 PolarHBondContact O-N 3.41Å | ||
| 166 | T | 33.9 | Very low | 44.2 | Very low | 121 Ų | 121 | 107.5 Ų | 107.5 | 74% | 0.742 | 64% | 0.637 | S | S | * | * | trans | -59.4 | 110.1 | 178.3 | 35.7 | 0 | 0 | 0 | 0 | 107.3 | T164 T168 | T164-T166 VanDerWaalsContact C-N 3.35Å; T164-T166 PolarHBondContact O-N 2.9Å; T166-T168 PolarHBondContact O-N 2.75Å | ||
| 167 | V | 30.6 | Very low | 46.5 | Very low | 139 Ų | 139 | 102.6 Ų | 102.6 | 84% | 0.842 | 61% | 0.606 | S | S | * | * | trans | -62.4 | 108.2 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 106 | T165 S169 | T165-V167 PolarHBondContact O-N 3.41Å; V167-S169 PolarHBondContact O-N 2.7Å | ||
| 168 | T | 33.4 | Very low | 48.9 | Very low | 119 Ų | 119 | 100 Ų | 100 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | trans | -58.4 | 109.9 | -172.1 | 5.7 | 0 | 0 | 0 | 0 | 109.4 | T166 | T166-T168 PolarHBondContact O-N 2.75Š| ||
| 169 | S | 35.1 | Very low | 51 | Low | 94 Ų | 94 | 99.4 Ų | 99.4 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | trans | -57.7 | 134 | 168.2 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | V167 V171 | V167-S169 PolarHBondContact O-N 2.7Å; S169-V171 PolarHBondContact O-N 3.04Å; S169-V171 VanDerWaalsContact O-N 3.14Å | ||
| 170 | P | 44.6 | Very low | 53.2 | Low | 106 Ų | 106 | 95.6 Ų | 95.6 | 69% | 0.688 | 58% | 0.577 | S | S | * | * | trans | -58.3 | 123.5 | -178.7 | 24.4 | -33.8 | 0 | 0 | 0 | 109.7 | L172 | P170-L172 PolarHBondContact O-N 3.27Š| ||
| 171 | V | 52.6 | Low | 56 | Low | 48 Ų | 48 | 97.2 Ų | 97.2 | 29% | 0.291 | 58% | 0.577 | S | S | . | * | trans | -61 | 108.8 | -176.3 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | S169 C173 E185 P187 | S169-V171 PolarHBondContact O-N 3.04Å; S169-V171 VanDerWaalsContact O-N 3.14Å; V171-C173 PolarHBondContact O-N 2.9Å; V171-E185 WeakPolarHBondContact CG1-O 3.41Å; V171-E185 HydrophobicContact CG2-CB 4.49Å; V171-P187 HydrophobicContact CG1-CG 4.49Å | ||
| 172 | L | 59.6 | Low | 58.6 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | trans | -80.9 | 113.6 | -176.5 | -77.5 | 161.3 | 0 | 0 | 0 | 110.6 | P170 N175 Y204 | P170-L172 PolarHBondContact O-N 3.27Å; L172-N175 HydrophobicContact CB-CB 4.47Å; L172-N175 WeakPolarHBondContact O-CB 3.32Å; L172-Y204 WeakPolarHBondContact O-CE1 3.48Å | ||
| 173 | C | 68.6 | Low | 61.2 | Low | 44 Ų | 44 | 91.8 Ų | 91.8 | 30% | 0.297 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -55.3 | 135.2 | 161.8 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | V171 P187 D201 C202 | V171-C173 PolarHBondContact O-N 2.9Å; C173-P187 HydrophobicContact CB-CG 4.32Å; C173-D201 PolarHBondContact SG-O 2.83Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; C173-C202 HydrophobicContact CB-CB 4.08Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.41Å; C173-C202 WeakPolarHBondContact SG-CB 3.49Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.89Å |
| 174 | N | 74.2 | Confident | 63.7 | Low | 100 Ų | 100 | 86 Ų | 86 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | S | Bend | trans | 63 | 56.7 | -173.2 | -60.3 | -37.8 | 0 | 0 | 0 | 114.6 | T203 | N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 3.01Å |
| 175 | N | 78.2 | Confident | 66.2 | Low | 72 Ų | 72 | 83.9 Ų | 83.9 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | trans | -97.9 | 152.4 | 174 | -163 | 13.4 | 0 | 0 | 0 | 112.8 | L172 Y204 S205 | L172-N175 HydrophobicContact CB-CB 4.47Å; L172-N175 WeakPolarHBondContact O-CB 3.32Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; N175-S205 PolarHBondContact O-N 3.33Å | ||
| 176 | N | 83.4 | Confident | 68.4 | Low | 93 Ų | 93 | 80 Ų | 80 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.2 | 173.3 | -174.4 | 51.7 | 0 | 0 | 0 | 109.9 | S205 | N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.34Å; N176-S205 WeakPolarHBondContact OD1-CB 3.17Å; N176-S205 PolarHBondContact OD1-O 3.49Å; N176-S205 PolarHBondContact OD1-OG 2.92Å |
| 177 | I | 84.6 | Confident | 70.2 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133 | -165.5 | -57.4 | 171.2 | 0 | 0 | 0 | 108.5 | V184 S205 I206 H207 Y283 | I177-V184 HydrophobicContact CD1-CG2 3.81Å; I177-S205 PolarHBondContact N-O 2.62Å; I177-I206 HydrophobicContact CB-CG1 4.49Å; I177-I206 CarbonylContact O-C 3.55Å; I177-I206 WeakPolarHBondContact O-CA 3.42Å; I177-H207 PolarHBondContact O-N 3.15Å; I177-Y283 HydrophobicContact CG2-CE1 4.14Å; I177-Y283 HydrophobicContact CG2-CE2 4.4Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.42Å |
| 178 | S | 84.8 | Confident | 71.5 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | trans | -133.4 | 17.5 | -174.4 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | H207 | S178-H207 WeakPolarHBondContact CA-O 3.43Š| ||
| 179 | E | 83.1 | Confident | 72.5 | Confident | 132 Ų | 132 | 71.9 Ų | 71.9 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | trans | -83.1 | 159.8 | 176 | -64.9 | 167.6 | 158.2 | 0 | 0 | 110.1 | ||||
| 180 | G | 78.9 | Confident | 73.3 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -76.9 | -22.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q284 A285 | G180-Q284 CarbonylContact O-C 3.6Å; G180-A285 VanDerWaalsContact O-CB 3.31Å; G180-A285 WeakPolarHBondContact O-CB 3.5Å; G180-A285 PolarHBondContact O-N 3.44Å |
| 181 | E | 88.8 | Confident | 73.4 | Confident | 137 Ų | 137 | 68 Ų | 68 | 64% | 0.64 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158.3 | -179.1 | 61.7 | -176.5 | -173.9 | 0 | 0 | 109.5 | Y283 Q284 | E181-Y283 CarbonylContact C-O 3.5Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 2.85Å; E181-Q284 HydrophobicContact CB-CB 4.47Å |
| 182 | G | 88.8 | Confident | 73.1 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -158.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | H282 Y283 | G182-H282 CarbonylContact O-C 3.46Å; G182-H282 WeakPolarHBondContact O-CA 3.41Å; G182-H282 PolarHBondContact O-CD2 2.91Å; G182-Y283 VanDerWaalsContact C-CD1 3.4Å; G182-Y283 VanDerWaalsContact CA-CE1 3.49Å; G182-Y283 PolarHBondContact N-O 3.06Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.35Å; G182-Y283 PolarHBondContact O-N 3.25Å |
| 183 | Y | 87.5 | Confident | 72.7 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 44% | 0.443 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.8 | -175.1 | -59.4 | -82.8 | 0 | 0 | 0 | 111.9 | Q219 R280 I281 H282 | Y183-Q219 VanDerWaalsContact CE1-OE1 3.25Å; Y183-R280 HydrophobicContact CD1-CG 4.48Å; Y183-R280 VanDerWaalsContact CG-NH2 3.27Å; Y183-I281 CarbonylContact C-O 3.54Å; Y183-I281 WeakPolarHBondContact CA-O 3.42Å; Y183-H282 HydrophobicContact CD1-CB 4.01Å; Y183-H282 AromaticContact CD1-CD2 3.95Å; Y183-H282 HydrophobicContact CE1-CB 3.74Å; Y183-H282 AromaticContact CE1-CD2 3.37Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.31Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.52Å |
| 184 | V | 87.3 | Confident | 71.7 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.9 | 164.4 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | I177 Y204 I206 L266 F279 I281 Y283 | I177-V184 HydrophobicContact CD1-CG2 3.81Å; V184-Y204 HydrophobicContact CG1-CD1 3.84Å; V184-Y204 HydrophobicContact CG1-CD2 3.81Å; V184-Y204 HydrophobicContact CG1-CE1 4.23Å; V184-Y204 HydrophobicContact CG1-CE2 4.2Å; V184-Y204 HydrophobicContact CG1-CG 3.61Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; V184-L266 HydrophobicContact CB-CD1 4.14Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.12Å; V184-F279 HydrophobicContact CG1-CE2 4.14Å; V184-I281 PolarHBondContact N-O 3.23Å; V184-I281 PolarHBondContact O-N 3.38Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.33Å |
| 185 | E | 82.9 | Confident | 70.5 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.6 | -174 | -60.8 | -176.5 | -141.5 | 0 | 0 | 109.8 | V171 Y204 F279 R280 | V171-E185 WeakPolarHBondContact CG1-O 3.41Å; V171-E185 HydrophobicContact CG2-CB 4.49Å; E185-Y204 PolarHBondContact O-OH 3.36Å; E185-F279 WeakPolarHBondContact CA-O 3.41Å; E185-R280 HydrophobicContact CG-CG 4.24Å; E185-R280 IonicContact OE1-CZ 3.88Å; E185-R280 IonicContact OE1-NH1 3.39Å; E185-R280 PolarHBondContact OE1-NH1 2.78Å; E185-R280 IonicContact OE1-NH2 2.64Å; E185-R280 PolarHBondContact OE1-NH2 3.39Å; E185-R280 IonicContact OE2-CZ 3.88Å; E185-R280 IonicContact OE2-NH1 3.38Å; E185-R280 PolarHBondContact OE2-NH1 2.64Å |
| 186 | S | 76 | Confident | 69 | Low | 30 Ų | 30 | 77.8 Ų | 77.8 | 21% | 0.21 | 44% | 0.44 | C | S | . | . | trans | -67.2 | 144.2 | 171 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | D188 G278 F279 | S186-D188 PolarHBondContact O-N 2.92Å; S186-G278 WeakPolarHBondContact OG-CA 3.35Å; S186-F279 PolarHBondContact N-O 3.32Å; S186-F279 VanDerWaalsContact N-O 3.07Å; S186-F279 PolarHBondContact OG-N 2.91Å; S186-F279 VanDerWaalsContact OG-N 3.14Å | ||
| 187 | P | 70.4 | Confident | 67.5 | Low | 23 Ų | 23 | 79.5 Ų | 79.5 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | trans | -63.7 | 130 | -175.4 | -23.8 | 34.8 | 0 | 0 | 0 | 114.7 | V171 C173 L189 Y204 | V171-P187 HydrophobicContact CG1-CG 4.49Å; C173-P187 HydrophobicContact CB-CG 4.32Å; P187-L189 PolarHBondContact O-N 2.92Å; P187-Y204 WeakPolarHBondContact CD-OH 3.24Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.37Å | ||
| 188 | D | 59.5 | Low | 66.5 | Low | 128 Ų | 128 | 81.3 Ų | 81.3 | 68% | 0.684 | 47% | 0.472 | S | S | * | . | trans | -72.6 | 105.1 | 178.6 | -104 | -31.4 | 0 | 0 | 0 | 112.7 | S186 G190 | S186-D188 PolarHBondContact O-N 2.92Å; D188-G190 PolarHBondContact O-N 3.25Å; D188-G190 VanDerWaalsContact O-N 3.12Å | ||
| 189 | L | 54.6 | Low | 65.4 | Low | 59 Ų | 59 | 81.8 Ų | 81.8 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 18.3 | -176 | -68.2 | 167.1 | 0 | 0 | 0 | 114.6 | P187 S191 P274 | P187-L189 PolarHBondContact O-N 2.92Å; L189-S191 VanDerWaalsContact C-N 3.27Å; L189-P274 VanDerWaalsContact CD1-CD 3.45Å; L189-P274 HydrophobicContact CD1-CG 4.13Å |
| 190 | G | 51.3 | Low | 64.9 | Low | 67 Ų | 67 | 77.3 Ų | 77.3 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D188 | D188-G190 PolarHBondContact O-N 3.25Å; D188-G190 VanDerWaalsContact O-N 3.12Å |
| 191 | S | 47 | Very low | 64.8 | Low | 50 Ų | 50 | 78.7 Ų | 78.7 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -67.5 | 137.8 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | L189 V193 | L189-S191 VanDerWaalsContact C-N 3.27Å; S191-V193 PolarHBondContact O-N 3.35Å; S191-V193 VanDerWaalsContact O-N 3.09Å |
| 192 | P | 46.4 | Very low | 64.5 | Low | 108 Ų | 108 | 72.2 Ų | 72.2 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -66.9 | -11.3 | -177.3 | 27.1 | -35.7 | 0 | 0 | 0 | 114.7 | ||
| 193 | V | 49.7 | Very low | 64.2 | Low | 104 Ų | 104 | 73.4 Ų | 73.4 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -75.3 | -33.9 | -176.1 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | S191 R195 T196 | S191-V193 PolarHBondContact O-N 3.35Å; S191-V193 VanDerWaalsContact O-N 3.09Å; V193-R195 VanDerWaalsContact C-N 3.25Å; V193-R195 PolarHBondContact O-N 2.8Å; V193-R195 VanDerWaalsContact O-N 3.15Å; V193-T196 PolarHBondContact O-OG1 2.71Å |
| 194 | S | 47.9 | Very low | 64.2 | Low | 44 Ų | 44 | 68.2 Ų | 68.2 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -81.6 | 9.3 | -168.7 | -50.5 | 0 | 0 | 0 | 0 | 115.4 | T196 | S194-T196 VanDerWaalsContact C-N 3.28Å; S194-T196 PolarHBondContact O-N 3.25Å |
| 195 | R | 48.4 | Very low | 64.2 | Low | 205 Ų | 205 | 69 Ų | 69 | 77% | 0.774 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -85.5 | 7.8 | -177.1 | -58.3 | -171.9 | -174.2 | -164 | 2.3 | 114.5 | V193 | V193-R195 VanDerWaalsContact C-N 3.25Å; V193-R195 PolarHBondContact O-N 2.8Å; V193-R195 VanDerWaalsContact O-N 3.15Å |
| 196 | T | 48.2 | Very low | 64.5 | Low | 125 Ų | 125 | 66 Ų | 66 | 77% | 0.767 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -123.6 | -3.8 | -174 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | V193 S194 | V193-T196 PolarHBondContact O-OG1 2.71Å; S194-T196 VanDerWaalsContact C-N 3.28Å; S194-T196 PolarHBondContact O-N 3.25Å |
| 197 | L | 51.6 | Low | 65 | Low | 130 Ų | 130 | 67.3 Ų | 67.3 | 68% | 0.681 | 40% | 0.396 | S | S | * | . | trans | -104.2 | 147.1 | 178.5 | -75.9 | 149.3 | 0 | 0 | 0 | 110.2 | ||||
| 198 | G | 63.3 | Low | 65.8 | Low | 57 Ų | 57 | 66.6 Ų | 66.6 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | trans | -91.8 | -108.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L200 | G198-L200 PolarHBondContact O-N 3.32Š| ||
| 199 | L | 61.1 | Low | 67 | Low | 94 Ų | 94 | 68.2 Ų | 68.2 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -59.1 | 128.2 | 173.4 | -179.4 | 146.7 | 0 | 0 | 0 | 110.2 | D201 Q269 P271 | L199-D201 HydrophobicContact CD2-CB 3.99Å; L199-Q269 HydrophobicContact CD1-CG 4.37Å; L199-Q269 HydrophobicContact CD2-CG 4.17Å; L199-Q269 HydrophobicContact CG-CG 4.39Å; L199-P271 HydrophobicContact CD1-CB 4.3Å |
| 200 | L | 72.4 | Confident | 68.2 | Low | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.199 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.5 | 176.8 | -173.4 | 72.8 | 0 | 0 | 0 | 108.4 | G198 F268 Q269 S270 | G198-L200 PolarHBondContact O-N 3.32Å; L200-F268 HydrophobicContact CD2-CE1 4.21Å; L200-Q269 WeakPolarHBondContact O-CA 3.39Å; L200-S270 PolarHBondContact N-O 3.03Å; L200-S270 PolarHBondContact O-N 2.85Å |
| 201 | D | 78.1 | Confident | 69.3 | Low | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 110.9 | 177.2 | -169.7 | -52.9 | 0 | 0 | 0 | 108 | C173 L199 H267 Q269 | C173-D201 PolarHBondContact SG-O 2.83Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; L199-D201 HydrophobicContact CD2-CB 3.99Å; D201-H267 IonicContact OD1-CE1 2.75Å; D201-H267 PolarHBondContact OD1-CE1 2.89Å; D201-H267 IonicContact OD1-ND1 2.82Å; D201-H267 IonicContact OD2-CE1 3.45Å; D201-H267 PolarHBondContact OD2-CE1 2.92Å; D201-Q269 PolarHBondContact OD2-NE2 3.24Å |
| 202 | C | 81.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.4 | -174.3 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | C173 Y204 F268 | C173-C202 HydrophobicContact CB-CB 4.08Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.41Å; C173-C202 WeakPolarHBondContact SG-CB 3.49Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.89Å; C202-Y204 HydrophobicContact CB-CE2 3.98Å; C202-F268 PolarHBondContact N-O 2.96Å; C202-F268 PolarHBondContact O-N 2.82Å |
| 203 | T | 83.9 | Confident | 73 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 104.2 | -178.1 | -61 | 0 | 0 | 0 | 0 | 109.5 | N174 L265 L266 H267 | N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 3.01Å; T203-L265 HydrophobicContact CG2-CD1 3.49Å; T203-L265 VanDerWaalsContact CG2-CD1 3.49Å; T203-L265 HydrophobicContact CG2-CD2 3.98Å; T203-L265 HydrophobicContact CG2-CG 3.69Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.4Å; T203-H267 PolarHBondContact OG1-ND1 2.04Å |
| 204 | Y | 87.2 | Confident | 74.8 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.1 | 176.1 | -55.3 | -86.3 | 0 | 0 | 0 | 109.8 | L172 N175 V184 E185 P187 C202 L265 L266 F279 | L172-Y204 WeakPolarHBondContact O-CE1 3.48Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; V184-Y204 HydrophobicContact CG1-CD1 3.84Å; V184-Y204 HydrophobicContact CG1-CD2 3.81Å; V184-Y204 HydrophobicContact CG1-CE1 4.23Å; V184-Y204 HydrophobicContact CG1-CE2 4.2Å; V184-Y204 HydrophobicContact CG1-CG 3.61Å; E185-Y204 PolarHBondContact O-OH 3.36Å; P187-Y204 WeakPolarHBondContact CD-OH 3.24Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.37Å; C202-Y204 HydrophobicContact CB-CE2 3.98Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 WeakPolarHBondContact O-CA 3.33Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 3.47Å; Y204-L266 PolarHBondContact O-N 2.75Å; Y204-F279 HydrophobicContact CD2-CZ 4.49Å; Y204-F279 AromaticContact CE2-CZ 3.97Å; Y204-F279 HydrophobicContact CE2-CZ 3.97Å |
| 205 | S | 87.5 | Confident | 76.9 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.2 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 108.9 | N175 N176 I177 H207 | N175-S205 PolarHBondContact O-N 3.33Å; N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.34Å; N176-S205 WeakPolarHBondContact OD1-CB 3.17Å; N176-S205 PolarHBondContact OD1-O 3.49Å; N176-S205 PolarHBondContact OD1-OG 2.92Å; I177-S205 PolarHBondContact N-O 2.62Å; S205-H207 PolarHBondContact OG-CE1 3.21Å; S205-H207 PolarHBondContact OG-ND1 2.78Å |
| 206 | I | 88.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.2 | 176.9 | -50.4 | 174 | 0 | 0 | 0 | 107.6 | I177 V184 I214 R263 L264 L266 Y283 | I177-I206 HydrophobicContact CB-CG1 4.49Å; I177-I206 CarbonylContact O-C 3.55Å; I177-I206 WeakPolarHBondContact O-CA 3.42Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.74Å; I206-I214 HydrophobicContact CG2-CG1 4.21Å; I206-I214 HydrophobicContact CG2-CG2 4.26Å; I206-I214 WeakPolarHBondContact O-CD1 3.44Å; I206-R263 WeakPolarHBondContact O-CA 3.48Å; I206-L264 HydrophobicContact CB-CB 4.38Å; I206-L264 PolarHBondContact N-O 3.25Å; I206-L264 PolarHBondContact O-N 2.75Å; I206-L266 HydrophobicContact CD1-CD1 4.11Å; I206-Y283 HydrophobicContact CD1-CD1 4.22Å; I206-Y283 HydrophobicContact CD1-CD2 4.42Å; I206-Y283 HydrophobicContact CD1-CG 4.03Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 3.84Å; I206-Y283 HydrophobicContact CG2-CG 4.43Å |
| 207 | H | 87.3 | Confident | 80.9 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 106.7 | -172.8 | -76.2 | 11.2 | 0 | 0 | 0 | 111 | I177 S178 S205 R263 | I177-H207 PolarHBondContact O-N 3.15Å; S178-H207 WeakPolarHBondContact CA-O 3.43Å; S205-H207 PolarHBondContact OG-CE1 3.21Å; S205-H207 PolarHBondContact OG-ND1 2.78Å; H207-R263 PolarHBondContact NE2-NE 2.72Å |
| 208 | V | 87 | Confident | 82.7 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -99.8 | 170.7 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | I214 N262 A285 | V208-I214 HydrophobicContact CB-CG1 4.31Å; V208-I214 HydrophobicContact CG1-CD1 4.21Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.19Å; V208-I214 HydrophobicContact CG2-CG1 3.7Å; V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.74Å; V208-N262 PolarHBondContact O-ND2 3.21Å; V208-A285 HydrophobicContact CB-CB 4.32Å; V208-A285 HydrophobicContact CG1-CB 4.01Å |
| 209 | Y | 84.1 | Confident | 83.8 | Confident | 161 Ų | 161 | 39.6 Ų | 39.6 | 63% | 0.631 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -56.3 | 144.8 | 179.9 | -55.4 | -74.1 | 0 | 0 | 0 | 112.4 | Y212 | Y209-Y212 WeakPolarHBondContact O-CB 3.33Å; Y209-Y212 PolarHBondContact O-N 3.12Å |
| 210 | P | 79.1 | Confident | 84.8 | Confident | 77 Ų | 77 | 38.1 Ų | 38.1 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 141.2 | 173.5 | -24 | 34.4 | 0 | 0 | 0 | 111.6 | Y212 | P210-Y212 VanDerWaalsContact C-N 3.3Š|
| 211 | G | 75.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -7.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L288 G333 | G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 3.32Å; G211-G333 PolarHBondContact N-O 2.81Å |
| 212 | Y | 83.9 | Confident | 85.4 | Confident | 98 Ų | 98 | 39.6 Ų | 39.6 | 38% | 0.384 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 151.7 | 170.6 | -65.8 | -101.4 | 0 | 0 | 0 | 110.8 | Y209 P210 N262 A285 Y286 L287 L288 | Y209-Y212 WeakPolarHBondContact O-CB 3.33Å; Y209-Y212 PolarHBondContact O-N 3.12Å; P210-Y212 VanDerWaalsContact C-N 3.3Å; Y212-N262 WeakPolarHBondContact O-CA 3.39Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.1Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; Y212-Y286 CarbonylContact C-O 3.5Å; Y212-Y286 VanDerWaalsContact CA-O 3.26Å; Y212-Y286 WeakPolarHBondContact CA-O 3.36Å; Y212-Y286 WeakPolarHBondContact CB-O 3.45Å; Y212-L287 HydrophobicContact CD1-CD1 4.09Å; Y212-L287 HydrophobicContact CD2-CD1 4.35Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.69Å; Y212-L287 HydrophobicContact CE2-CD1 3.97Å; Y212-L287 HydrophobicContact CG-CD1 4.4Å; Y212-L288 VanDerWaalsContact O-CD1 3.28Å; Y212-L288 WeakPolarHBondContact O-CD1 3.21Å |
| 213 | G | 86.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 171.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A285 Y286 | G213-A285 CarbonylContact O-C 3.6Å; G213-A285 WeakPolarHBondContact O-CA 3.11Å; G213-Y286 VanDerWaalsContact C-CD1 3.47Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.46Å; G213-Y286 PolarHBondContact O-N 2.95Å |
| 214 | I | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.4 | -176.6 | -62.4 | 152.2 | 0 | 0 | 0 | 108.5 | I206 V208 I216 S259 L264 Y283 | I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.74Å; I206-I214 HydrophobicContact CG2-CG1 4.21Å; I206-I214 HydrophobicContact CG2-CG2 4.26Å; I206-I214 WeakPolarHBondContact O-CD1 3.44Å; V208-I214 HydrophobicContact CB-CG1 4.31Å; V208-I214 HydrophobicContact CG1-CD1 4.21Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.19Å; V208-I214 HydrophobicContact CG2-CG1 3.7Å; I214-I216 HydrophobicContact CG2-CG2 4.13Å; I214-S259 VanDerWaalsContact O-CB 3.31Å; I214-S259 WeakPolarHBondContact O-CB 3.21Å; I214-S259 PolarHBondContact O-N 2.97Å; I214-L264 HydrophobicContact CB-CB 4.1Å; I214-L264 HydrophobicContact CB-CD2 4.24Å; I214-L264 HydrophobicContact CD1-CB 3.67Å; I214-L264 HydrophobicContact CG2-CB 4.11Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å |
| 215 | E | 90.3 | Very high | 83.7 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138.3 | 165.2 | -176.2 | 172.5 | 71.7 | 0 | 0 | 108.2 | V256 L257 R258 Y283 Q284 Y286 | E215-V256 HydrophobicContact CG-CG1 3.56Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.44Å; E215-L257 CarbonylContact C-O 3.57Å; E215-L257 WeakPolarHBondContact CA-O 3.21Å; E215-R258 HydrophobicContact CB-CG 4.2Å; E215-R258 HydrophobicContact CG-CG 4.02Å; E215-R258 IonicContact OE2-CZ 3.84Å; E215-R258 IonicContact OE2-NE 3.17Å; E215-R258 PolarHBondContact OE2-NE 2.89Å; E215-R258 IonicContact OE2-NH2 2.74Å; E215-R258 PolarHBondContact OE2-NH2 2.94Å; E215-Y283 CarbonylContact O-C 3.57Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 2.99Å; E215-Q284 HydrophobicContact CB-CG 4.13Å; E215-Q284 PolarHBondContact N-O 2.91Å; E215-Q284 PolarHBondContact O-N 2.96Å; E215-Q284 PolarHBondContact OE1-NE2 3.45Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å |
| 216 | I | 91.4 | Very high | 82.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.1 | 169.4 | 60.5 | 168.1 | 0 | 0 | 0 | 110.4 | I214 V231 V256 L257 L264 L266 I281 H282 | I214-I216 HydrophobicContact CG2-CG2 4.13Å; I216-V231 HydrophobicContact CD1-CG1 3.76Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; I216-V256 CarbonylContact O-C 3.56Å; I216-V256 VanDerWaalsContact O-CA 3.3Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; I216-L257 HydrophobicContact CD1-CB 4.3Å; I216-L257 HydrophobicContact CD1-CD1 4.25Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 3.36Å; I216-L257 PolarHBondContact O-N 3.01Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.42Å; I216-L264 HydrophobicContact CG2-CD2 3.39Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.37Å; I216-I281 HydrophobicContact CG2-CG2 3.9Å; I216-H282 CarbonylContact C-O 3.56Å; I216-H282 VanDerWaalsContact CA-O 3.3Å; I216-H282 WeakPolarHBondContact CA-O 3.46Å |
| 217 | Q | 90.6 | Very high | 82.2 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.6 | 171.6 | -177.5 | -177.6 | 23 | 0 | 0 | 108.5 | Q219 Q255 V256 H282 | Q217-Q219 PolarHBondContact O-N 2.91Å; Q217-Q255 WeakPolarHBondContact CA-O 3.18Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.09Å; Q217-H282 HydrophobicContact CB-CB 4.41Å; Q217-H282 PolarHBondContact N-O 3.08Å; Q217-H282 PolarHBondContact O-N 2.83Å |
| 218 | V | 89.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 114.5 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | L221 L251 G252 G254 Q255 | V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.43Å; V218-L221 HydrophobicContact CG1-CG 4.47Å; V218-L251 HydrophobicContact CG2-CD2 3.9Å; V218-G252 VanDerWaalsContact CB-O 3.3Å; V218-G252 WeakPolarHBondContact CB-O 3.36Å; V218-G252 WeakPolarHBondContact CG1-O 3.05Å; V218-G254 PolarHBondContact O-N 2.71Å; V218-Q255 HydrophobicContact CG2-CB 4.38Å; V218-Q255 PolarHBondContact N-O 2.86Å |
| 219 | Q | 86.3 | Confident | 81.8 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -46.9 | 177.4 | -66.2 | -165.4 | -38.8 | 0 | 0 | 111.6 | Y183 Q217 R280 H282 | Y183-Q219 VanDerWaalsContact CE1-OE1 3.25Å; Q217-Q219 PolarHBondContact O-N 2.91Å; Q219-R280 WeakPolarHBondContact CA-O 3.2Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.33Å; Q219-R280 PolarHBondContact N-O 3.47Å; Q219-H282 HydrophobicContact CG-CB 4.08Å |
| 220 | T | 81.4 | Confident | 81.9 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.7 | 170.8 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | E253 F279 R280 | T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; T220-F279 WeakPolarHBondContact O-CA 3.46Å; T220-R280 PolarHBondContact N-O 2.99Å; T220-R280 VanDerWaalsContact N-O 3.14Å; T220-R280 PolarHBondContact O-N 2.89Å; T220-R280 VanDerWaalsContact OG1-CB 3.25Å; T220-R280 WeakPolarHBondContact OG1-CB 3.28Å; T220-R280 PolarHBondContact OG1-N 2.88Å |
| 221 | L | 84.4 | Confident | 82.3 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 86.9 | -177.5 | -169.9 | 73.5 | 0 | 0 | 0 | 111.8 | V218 L223 L229 L251 E253 F279 | V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.43Å; V218-L221 HydrophobicContact CG1-CG 4.47Å; L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.4Å; L221-L223 HydrophobicContact CG-CG 4.26Å; L221-L229 HydrophobicContact CD1-CD2 3.89Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.55Å; L221-L251 VanDerWaalsContact CD2-O 3.28Å; L221-L251 WeakPolarHBondContact CD2-O 3.31Å; L221-E253 HydrophobicContact CB-CG 4.18Å; L221-E253 PolarHBondContact N-OE1 2.91Å; L221-F279 HydrophobicContact CD1-CB 4.05Å |
| 222 | N | 79.6 | Confident | 82.7 | Confident | 98 Ų | 98 | 49 Ų | 49 | 52% | 0.524 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 78.1 | 177.8 | -174.7 | 20.1 | 0 | 0 | 0 | 110.1 | G276 G277 G278 | N222-G276 PolarHBondContact ND2-O 3.43Å; N222-G277 CarbonylContact O-C 3.58Å; N222-G277 WeakPolarHBondContact O-CA 3.25Å; N222-G278 PolarHBondContact N-O 2.89Å; N222-G278 PolarHBondContact O-N 2.6Å |
| 223 | L | 76.8 | Confident | 82.6 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | trans | -100.3 | 140.7 | 179.2 | -58.9 | -176.5 | 0 | 0 | 0 | 111.3 | L221 E227 L229 F268 F279 | L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.4Å; L221-L223 HydrophobicContact CG-CG 4.26Å; L223-E227 HydrophobicContact CB-CB 4.47Å; L223-L229 HydrophobicContact CD1-CB 3.72Å; L223-L229 HydrophobicContact CD1-CD2 4.34Å; L223-F268 HydrophobicContact CD2-CE2 3.86Å; L223-F279 HydrophobicContact CD2-CD1 4.46Å | ||
| 224 | S | 71.9 | Confident | 81.8 | Confident | 60 Ų | 60 | 45 Ų | 45 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | trans | -84.2 | 165.9 | 172.7 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | E226 E227 | S224-E226 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact O-N 3.08Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.02Å; S224-E227 PolarHBondContact N-OE2 2.99Å; S224-E227 PolarHBondContact O-N 2.88Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.08Å; S224-E227 PolarHBondContact OG-OE2 2.86Å | ||
| 225 | Q | 66.6 | Low | 80.4 | Confident | 210 Ų | 210 | 45.8 Ų | 45.8 | 98% | 0.981 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.5 | -178.3 | -67.3 | -176.6 | -7.6 | 0 | 0 | 114.9 | ||
| 226 | E | 68.6 | Low | 78.7 | Confident | 97 Ų | 97 | 45.7 Ų | 45.7 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 2.6 | 174.7 | -64.6 | -176.7 | 167.7 | 0 | 0 | 112.2 | S224 P271 R272 | S224-E226 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact O-N 3.08Å; E226-P271 HydrophobicContact CB-CG 3.81Å; E226-P271 WeakPolarHBondContact O-CD 3.46Å; E226-P271 WeakPolarHBondContact O-CG 3.11Å; E226-R272 IonicContact OE1-CZ 3.32Å; E226-R272 IonicContact OE1-NH1 3.54Å; E226-R272 PolarHBondContact OE1-NH1 2.93Å; E226-R272 IonicContact OE1-NH2 3.4Å; E226-R272 PolarHBondContact OE1-NH2 2.86Å; E226-R272 IonicContact OE2-CZ 3.61Å; E226-R272 IonicContact OE2-NE 3.89Å; E226-R272 IonicContact OE2-NH1 3.18Å; E226-R272 PolarHBondContact OE2-NH1 2.79Å; E226-R272 IonicContact OE2-NH2 2.68Å |
| 227 | E | 76.7 | Confident | 76.9 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | trans | -113.4 | 135.1 | -173.9 | -70.6 | 173.6 | 128.4 | 0 | 0 | 112.6 | L223 S224 F268 Q269 S270 P274 | L223-E227 HydrophobicContact CB-CB 4.47Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.02Å; S224-E227 PolarHBondContact N-OE2 2.99Å; S224-E227 PolarHBondContact O-N 2.88Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.08Å; S224-E227 PolarHBondContact OG-OE2 2.86Å; E227-F268 HydrophobicContact CB-CE2 4.3Å; E227-Q269 WeakPolarHBondContact CA-O 3.2Å; E227-S270 WeakPolarHBondContact CG-OG 3.48Å; E227-S270 WeakPolarHBondContact OE1-CB 3.35Å; E227-S270 PolarHBondContact OE1-OG 3.31Å; E227-P274 WeakPolarHBondContact OE1-CG 3.38Å | ||
| 228 | E | 81.3 | Confident | 74.7 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 138.9 | -178.9 | -170.9 | 167.1 | -145.8 | 0 | 0 | 111.5 | L230 F268 Q269 | E228-L230 HydrophobicContact CG-CD2 3.9Å; E228-L230 HydrophobicContact CG-CG 4.06Å; E228-F268 WeakPolarHBondContact O-CA 3.42Å; E228-F268 WeakPolarHBondContact O-CD2 3.28Å; E228-Q269 PolarHBondContact N-O 3.41Å; E228-Q269 PolarHBondContact O-N 2.98Å |
| 229 | L | 85 | Confident | 73 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 119.8 | 175 | -179.4 | 62.7 | 0 | 0 | 0 | 108.8 | L221 L223 N247 S248 L251 H267 F268 F279 I281 | L221-L229 HydrophobicContact CD1-CD2 3.89Å; L223-L229 HydrophobicContact CD1-CB 3.72Å; L223-L229 HydrophobicContact CD1-CD2 4.34Å; L229-N247 CarbonylContact O-C 3.36Å; L229-S248 PolarHBondContact O-N 2.8Å; L229-L251 HydrophobicContact CB-CD1 4.45Å; L229-L251 HydrophobicContact CD2-CD1 4.01Å; L229-L251 HydrophobicContact CG-CD1 4.09Å; L229-H267 WeakPolarHBondContact CA-O 3.47Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.95Å; L229-F268 HydrophobicContact CD1-CD2 4.35Å; L229-F279 HydrophobicContact CD1-CE1 4.27Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.43Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.39Å; L229-F279 HydrophobicContact CD2-CG 4.12Å; L229-I281 HydrophobicContact CD2-CD1 4.15Å |
| 230 | L | 86.3 | Confident | 71.7 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.6 | -178 | -58.5 | -178.2 | 0 | 0 | 0 | 110.8 | E228 L232 L244 N247 L266 H267 | E228-L230 HydrophobicContact CG-CD2 3.9Å; E228-L230 HydrophobicContact CG-CG 4.06Å; L230-L232 HydrophobicContact CB-CD1 4.24Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L230-L244 HydrophobicContact CB-CD1 4.11Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L230-N247 HydrophobicContact CD2-CB 3.78Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; L230-H267 HydrophobicContact CB-CB 4.43Å; L230-H267 PolarHBondContact N-O 3.06Å; L230-H267 PolarHBondContact O-N 2.96Å |
| 231 | V | 86.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.1 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | I216 L245 A246 L251 L257 L264 L266 | I216-V231 HydrophobicContact CD1-CG1 3.76Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.12Å; V231-L245 HydrophobicContact CG1-CD1 4.18Å; V231-L245 PolarHBondContact O-N 2.89Å; V231-A246 HydrophobicContact CB-CB 4.32Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 3.19Å; V231-A246 PolarHBondContact O-N 3.16Å; V231-L251 HydrophobicContact CG2-CD1 4.06Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; V231-L257 HydrophobicContact CG2-CD1 4.4Å; V231-L264 HydrophobicContact CG1-CD1 3.69Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.46Å; V231-L266 HydrophobicContact CB-CD2 4.29Å; V231-L266 HydrophobicContact CG1-CD2 4.04Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å |
| 232 | L | 85.4 | Confident | 70 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.8 | -166.7 | -77.1 | 161.5 | 0 | 0 | 0 | 110.9 | L230 G234 P242 R243 L244 L265 H267 | L230-L232 HydrophobicContact CB-CD1 4.24Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L232-G234 PolarHBondContact O-N 3.15Å; L232-P242 HydrophobicContact CB-CB 4.19Å; L232-P242 HydrophobicContact CD2-CB 4.17Å; L232-P242 HydrophobicContact CD2-CG 4.34Å; L232-R243 CarbonylContact C-O 3.57Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; L232-L244 HydrophobicContact CD2-CB 4.22Å; L232-L244 HydrophobicContact CD2-CD1 4.07Å; L232-L244 HydrophobicContact CG-CD1 4.37Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 HydrophobicContact CB-CD2 4.5Å; L232-L265 WeakPolarHBondContact CB-O 3.39Å; L232-L265 HydrophobicContact CD1-CD2 4.33Å; L232-L265 PolarHBondContact N-O 3.18Å; L232-L265 WeakPolarHBondContact O-CB 3.45Å; L232-L265 PolarHBondContact O-N 2.74Å; L232-H267 HydrophobicContact CD1-CB 4.19Å |
| 233 | A | 80.1 | Confident | 70 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 124 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P242 R243 L245 P260 | A233-P242 WeakPolarHBondContact O-CA 3.28Å; A233-R243 HydrophobicContact CB-CB 4.45Å; A233-R243 PolarHBondContact N-O 2.85Å; A233-R243 PolarHBondContact O-N 3.42Å; A233-L245 HydrophobicContact CB-CD1 4.04Å; A233-L245 HydrophobicContact CB-CD2 3.99Å; A233-L245 HydrophobicContact CB-CG 4.01Å; A233-P260 HydrophobicContact CB-CG 4.45Å |
| 234 | G | 69.8 | Low | 70.3 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 132.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L232 T261 R263 | L232-G234 PolarHBondContact O-N 3.15Å; G234-T261 WeakPolarHBondContact O-CG2 3.43Å; G234-T261 PolarHBondContact O-OG1 2.88Å; G234-R263 PolarHBondContact N-O 2.95Å |
| 235 | G | 61.1 | Low | 70.8 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 135.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S237 | G235-S237 PolarHBondContact O-N 3.47Š|
| 236 | G | 53.8 | Low | 71.5 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 19% | 0.186 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -70.3 | -12.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | T334 | G236-T334 WeakPolarHBondContact CA-OG1 3.49Å; G236-T334 PolarHBondContact O-OG1 2.77Å |
| 237 | S | 52.7 | Low | 72.2 | Confident | 74 Ų | 74 | 53 Ų | 53 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -131.1 | 145.3 | -177.7 | -49.4 | 0 | 0 | 0 | 0 | 110 | G235 G239 L240 | G235-S237 PolarHBondContact O-N 3.47Å; S237-G239 PolarHBondContact O-N 2.84Å; S237-L240 PolarHBondContact O-N 2.9Å |
| 238 | P | 45.6 | Very low | 72.2 | Confident | 141 Ų | 141 | 54.2 Ų | 54.2 | 92% | 0.916 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 122.7 | 179.5 | 26.6 | -34 | 0 | 0 | 0 | 111 | ||
| 239 | G | 53.9 | Low | 72 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 89% | 0.887 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104 | -7.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S237 | S237-G239 PolarHBondContact O-N 2.84Š|
| 240 | L | 57.6 | Low | 71.5 | Confident | 116 Ų | 116 | 60.6 Ų | 60.6 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -80 | 132.8 | 172.3 | -133.6 | 78.5 | 0 | 0 | 0 | 111 | S237 | S237-L240 PolarHBondContact O-N 2.9Š|
| 241 | A | 60.4 | Low | 71.2 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 67% | 0.669 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -62 | 145.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 242 | P | 70.6 | Confident | 70.9 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 141.1 | 178 | 28.4 | -34.5 | 0 | 0 | 0 | 111.3 | L232 A233 | L232-P242 HydrophobicContact CB-CB 4.19Å; L232-P242 HydrophobicContact CD2-CB 4.17Å; L232-P242 HydrophobicContact CD2-CG 4.34Å; A233-P242 WeakPolarHBondContact O-CA 3.28Å |
| 243 | R | 79.9 | Confident | 70.8 | Confident | 166 Ų | 166 | 66.2 Ų | 66.2 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.7 | 180 | 171.2 | 177.7 | 170.8 | -179.3 | -2.1 | 110.1 | L232 A233 L245 | L232-R243 CarbonylContact C-O 3.57Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; A233-R243 HydrophobicContact CB-CB 4.45Å; A233-R243 PolarHBondContact N-O 2.85Å; A233-R243 PolarHBondContact O-N 3.42Å; R243-L245 PolarHBondContact O-N 2.79Å |
| 244 | L | 82.5 | Confident | 70.8 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 47% | 0.466 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 130.5 | 171.3 | -169.7 | 68.6 | 0 | 0 | 0 | 110.7 | L230 L232 A246 | L230-L244 HydrophobicContact CB-CD1 4.11Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L232-L244 HydrophobicContact CD2-CB 4.22Å; L232-L244 HydrophobicContact CD2-CD1 4.07Å; L232-L244 HydrophobicContact CG-CD1 4.37Å; L244-A246 WeakPolarHBondContact CD1-O 3.19Å |
| 245 | L | 82.6 | Confident | 71.5 | Confident | 40 Ų | 40 | 72 Ų | 72 | 21% | 0.209 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -42.9 | 173.1 | -60.6 | -176.4 | 0 | 0 | 0 | 111.2 | V231 A233 R243 L264 | V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.12Å; V231-L245 HydrophobicContact CG1-CD1 4.18Å; V231-L245 PolarHBondContact O-N 2.89Å; A233-L245 HydrophobicContact CB-CD1 4.04Å; A233-L245 HydrophobicContact CB-CD2 3.99Å; A233-L245 HydrophobicContact CB-CG 4.01Å; R243-L245 PolarHBondContact O-N 2.79Å; L245-L264 HydrophobicContact CD1-CD1 3.98Å |
| 246 | A | 81.8 | Confident | 72.8 | Confident | 2 Ų | 2 | 74 Ų | 74 | 2% | 0.017 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 153 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V231 L244 M250 L251 L257 | V231-A246 HydrophobicContact CB-CB 4.32Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 3.19Å; V231-A246 PolarHBondContact O-N 3.16Å; L244-A246 WeakPolarHBondContact CD1-O 3.19Å; A246-M250 HydrophobicContact CB-CB 4.13Å; A246-L251 HydrophobicContact CB-CD2 4.1Å; A246-L251 HydrophobicContact CB-CG 4.24Å; A246-L257 HydrophobicContact CB-CD1 3.5Å; A246-L257 VanDerWaalsContact CB-CD1 3.5Å; A246-L257 HydrophobicContact CB-CD2 4.48Å |
| 247 | N | 83.9 | Confident | 74.3 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 23% | 0.23 | 46% | 0.457 | C | S | . | . | trans | -111.6 | 178.4 | 168.9 | 72.9 | -13.7 | 0 | 0 | 0 | 110.5 | L229 L230 S249 M250 L251 | L229-N247 CarbonylContact O-C 3.36Å; L230-N247 HydrophobicContact CD2-CB 3.78Å; N247-S249 PolarHBondContact ND2-OG 3.03Å; N247-S249 PolarHBondContact O-N 2.88Å; N247-S249 VanDerWaalsContact O-N 3.15Å; N247-S249 PolarHBondContact OD1-N 3.32Å; N247-S249 PolarHBondContact OD1-OG 3.03Å; N247-M250 PolarHBondContact O-N 2.97Å; N247-M250 WeakPolarHBondContact OD1-CG 3.08Å; N247-M250 PolarHBondContact OD1-N 2.89Å; N247-L251 WeakPolarHBondContact O-CG 3.32Å; N247-L251 PolarHBondContact O-N 2.89Å | ||
| 248 | S | 76.2 | Confident | 76 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -55 | -33 | -180 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | L229 M250 | L229-S248 PolarHBondContact O-N 2.8Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.86Å |
| 249 | S | 77 | Confident | 77.9 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 69% | 0.685 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -76.4 | -12.7 | 176.6 | 58 | 0 | 0 | 0 | 0 | 115.4 | N247 | N247-S249 PolarHBondContact ND2-OG 3.03Å; N247-S249 PolarHBondContact O-N 2.88Å; N247-S249 VanDerWaalsContact O-N 3.15Å; N247-S249 PolarHBondContact OD1-N 3.32Å; N247-S249 PolarHBondContact OD1-OG 3.03Å |
| 250 | M | 74.8 | Confident | 79.2 | Confident | 123 Ų | 123 | 70 Ų | 70 | 61% | 0.606 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -106.6 | 3.3 | 177.7 | -68.9 | 178.8 | 67.4 | 0 | 0 | 112.8 | A246 N247 S248 | A246-M250 HydrophobicContact CB-CB 4.13Å; N247-M250 PolarHBondContact O-N 2.97Å; N247-M250 WeakPolarHBondContact OD1-CG 3.08Å; N247-M250 PolarHBondContact OD1-N 2.89Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.86Å |
| 251 | L | 78.6 | Confident | 80.5 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | trans | -104.8 | 138 | 176.8 | -65.9 | 165.7 | 0 | 0 | 0 | 109 | V218 L221 L229 V231 A246 N247 L257 | V218-L251 HydrophobicContact CG2-CD2 3.9Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.55Å; L221-L251 VanDerWaalsContact CD2-O 3.28Å; L221-L251 WeakPolarHBondContact CD2-O 3.31Å; L229-L251 HydrophobicContact CB-CD1 4.45Å; L229-L251 HydrophobicContact CD2-CD1 4.01Å; L229-L251 HydrophobicContact CG-CD1 4.09Å; V231-L251 HydrophobicContact CG2-CD1 4.06Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; A246-L251 HydrophobicContact CB-CD2 4.1Å; A246-L251 HydrophobicContact CB-CG 4.24Å; N247-L251 WeakPolarHBondContact O-CG 3.32Å; N247-L251 PolarHBondContact O-N 2.89Å; L251-L257 HydrophobicContact CD2-CD1 3.54Å | ||
| 252 | G | 81.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | -153.9 | 161.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V218 G254 Q255 | V218-G252 VanDerWaalsContact CB-O 3.3Å; V218-G252 WeakPolarHBondContact CB-O 3.36Å; V218-G252 WeakPolarHBondContact CG1-O 3.05Å; G252-G254 PolarHBondContact O-N 2.82Å; G252-Q255 WeakPolarHBondContact O-CB 3.36Å; G252-Q255 PolarHBondContact O-N 3.29Å | ||
| 253 | E | 82.9 | Confident | 82.5 | Confident | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 133.5 | -177.6 | -59 | -172.8 | 155 | 0 | 0 | 110.8 | T220 L221 Q255 | T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; L221-E253 HydrophobicContact CB-CG 4.18Å; L221-E253 PolarHBondContact N-OE1 2.91Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 2.82Å |
| 254 | G | 79.9 | Confident | 82.9 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -9.6 | -170 | 0 | 0 | 0 | 0 | 0 | 115.4 | V218 G252 V256 | V218-G254 PolarHBondContact O-N 2.71Å; G252-G254 PolarHBondContact O-N 2.82Å; G254-V256 PolarHBondContact O-N 2.87Å |
| 255 | Q | 84.6 | Confident | 83.2 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | trans | -64.7 | 130.5 | 179.2 | -175.8 | 61 | 54.2 | 0 | 0 | 111.3 | Q217 V218 G252 E253 L257 | Q217-Q255 WeakPolarHBondContact CA-O 3.18Å; V218-Q255 HydrophobicContact CG2-CB 4.38Å; V218-Q255 PolarHBondContact N-O 2.86Å; G252-Q255 WeakPolarHBondContact O-CB 3.36Å; G252-Q255 PolarHBondContact O-N 3.29Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 2.82Å; Q255-L257 HydrophobicContact CG-CG 4.41Å | ||
| 256 | V | 87.5 | Confident | 83.5 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 35% | 0.345 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | E215 I216 Q217 G254 | E215-V256 HydrophobicContact CG-CG1 3.56Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.44Å; I216-V256 CarbonylContact O-C 3.56Å; I216-V256 VanDerWaalsContact O-CA 3.3Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.09Å; G254-V256 PolarHBondContact O-N 2.87Å |
| 257 | L | 86.2 | Confident | 83.8 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.8 | 176.1 | -65.9 | 168 | 0 | 0 | 0 | 110.2 | E215 I216 V231 A246 L251 Q255 | E215-L257 CarbonylContact C-O 3.57Å; E215-L257 WeakPolarHBondContact CA-O 3.21Å; I216-L257 HydrophobicContact CD1-CB 4.3Å; I216-L257 HydrophobicContact CD1-CD1 4.25Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 3.36Å; I216-L257 PolarHBondContact O-N 3.01Å; V231-L257 HydrophobicContact CG2-CD1 4.4Å; A246-L257 HydrophobicContact CB-CD1 3.5Å; A246-L257 VanDerWaalsContact CB-CD1 3.5Å; A246-L257 HydrophobicContact CB-CD2 4.48Å; L251-L257 HydrophobicContact CD2-CD1 3.54Å; Q255-L257 HydrophobicContact CG-CG 4.41Å |
| 258 | R | 87.6 | Confident | 83.8 | Confident | 153 Ų | 153 | 51.4 Ų | 51.4 | 58% | 0.577 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.4 | 179.1 | -70.6 | -177 | -179.6 | -166.6 | -8.9 | 111.4 | E215 P260 Y286 | E215-R258 HydrophobicContact CB-CG 4.2Å; E215-R258 HydrophobicContact CG-CG 4.02Å; E215-R258 IonicContact OE2-CZ 3.84Å; E215-R258 IonicContact OE2-NE 3.17Å; E215-R258 PolarHBondContact OE2-NE 2.89Å; E215-R258 IonicContact OE2-NH2 2.74Å; E215-R258 PolarHBondContact OE2-NH2 2.94Å; R258-P260 WeakPolarHBondContact O-CD 3.28Å; R258-Y286 HydrophobicContact CB-CE1 3.83Å; R258-Y286 HydrophobicContact CG-CD1 4.44Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å |
| 259 | S | 84.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.9 | 172.6 | -171 | 0 | 0 | 0 | 0 | 110.5 | I214 T261 R263 Y286 | I214-S259 VanDerWaalsContact O-CB 3.31Å; I214-S259 WeakPolarHBondContact O-CB 3.21Å; I214-S259 PolarHBondContact O-N 2.97Å; S259-T261 PolarHBondContact O-N 3.16Å; S259-T261 PolarHBondContact OG-O 2.99Å; S259-R263 PolarHBondContact OG-O 2.86Å; S259-Y286 PolarHBondContact O-OH 3.05Å |
| 260 | P | 81.8 | Confident | 84.1 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 31% | 0.312 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -75.8 | 22.9 | 177.6 | 35.6 | -38.4 | 0 | 0 | 0 | 112.6 | A233 R258 R335 | A233-P260 HydrophobicContact CB-CG 4.45Å; R258-P260 WeakPolarHBondContact O-CD 3.28Å; P260-R335 WeakPolarHBondContact O-CG 3.04Å |
| 261 | T | 86 | Confident | 83.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -147.6 | 158.8 | 172.9 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | G234 S259 R263 T334 R335 | G234-T261 WeakPolarHBondContact O-CG2 3.43Å; G234-T261 PolarHBondContact O-OG1 2.88Å; S259-T261 PolarHBondContact O-N 3.16Å; S259-T261 PolarHBondContact OG-O 2.99Å; T261-R263 PolarHBondContact O-N 2.91Å; T261-R263 PolarHBondContact OG1-O 3.3Å; T261-T334 WeakPolarHBondContact CA-O 3.41Å; T261-T334 WeakPolarHBondContact CB-O 3.47Å; T261-R335 HydrophobicContact CG2-CG 3.68Å |
| 262 | N | 85.6 | Confident | 83 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67.9 | 10.1 | 173.5 | 83.1 | -51 | 0 | 0 | 0 | 114.8 | V208 Y212 T334 | V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.74Å; V208-N262 PolarHBondContact O-ND2 3.21Å; Y212-N262 WeakPolarHBondContact O-CA 3.39Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.1Å; N262-T334 PolarHBondContact N-O 2.87Å; N262-T334 WeakPolarHBondContact OD1-CA 3.39Å; N262-T334 WeakPolarHBondContact OD1-CB 3.34Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.37Å |
| 263 | R | 87.2 | Confident | 81.8 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 123.5 | -177.8 | -66.7 | -173.2 | 163.9 | 164.4 | -2.9 | 110.4 | I206 H207 G234 S259 T261 | I206-R263 WeakPolarHBondContact O-CA 3.48Å; H207-R263 PolarHBondContact NE2-NE 2.72Å; G234-R263 PolarHBondContact N-O 2.95Å; S259-R263 PolarHBondContact OG-O 2.86Å; T261-R263 PolarHBondContact O-N 2.91Å; T261-R263 PolarHBondContact OG1-O 3.3Å |
| 264 | L | 88.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144 | 174.1 | -172 | 59.1 | 0 | 0 | 0 | 109.1 | I206 I214 I216 V231 L245 L266 | I206-L264 HydrophobicContact CB-CB 4.38Å; I206-L264 PolarHBondContact N-O 3.25Å; I206-L264 PolarHBondContact O-N 2.75Å; I214-L264 HydrophobicContact CB-CB 4.1Å; I214-L264 HydrophobicContact CB-CD2 4.24Å; I214-L264 HydrophobicContact CD1-CB 3.67Å; I214-L264 HydrophobicContact CG2-CB 4.11Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.42Å; I216-L264 HydrophobicContact CG2-CD2 3.39Å; V231-L264 HydrophobicContact CG1-CD1 3.69Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.46Å; L245-L264 HydrophobicContact CD1-CD1 3.98Å; L264-L266 HydrophobicContact CD2-CD2 4.38Å; L264-L266 HydrophobicContact CG-CD2 4.39Å |
| 265 | L | 88.9 | Confident | 79.1 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.6 | 179.2 | -164.3 | 77.1 | 0 | 0 | 0 | 107.7 | T203 Y204 L232 | T203-L265 HydrophobicContact CG2-CD1 3.49Å; T203-L265 VanDerWaalsContact CG2-CD1 3.49Å; T203-L265 HydrophobicContact CG2-CD2 3.98Å; T203-L265 HydrophobicContact CG2-CG 3.69Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 WeakPolarHBondContact O-CA 3.33Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 HydrophobicContact CB-CD2 4.5Å; L232-L265 WeakPolarHBondContact CB-O 3.39Å; L232-L265 HydrophobicContact CD1-CD2 4.33Å; L232-L265 PolarHBondContact N-O 3.18Å; L232-L265 WeakPolarHBondContact O-CB 3.45Å; L232-L265 PolarHBondContact O-N 2.74Å |
| 266 | L | 88.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.3 | 175.3 | -55.9 | 174.8 | 0 | 0 | 0 | 107.5 | V184 T203 Y204 I206 I216 L230 V231 L264 I281 | V184-L266 HydrophobicContact CB-CD1 4.14Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.12Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.4Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 3.47Å; Y204-L266 PolarHBondContact O-N 2.75Å; I206-L266 HydrophobicContact CD1-CD1 4.11Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; V231-L266 HydrophobicContact CB-CD2 4.29Å; V231-L266 HydrophobicContact CG1-CD2 4.04Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å; L264-L266 HydrophobicContact CD2-CD2 4.38Å; L264-L266 HydrophobicContact CG-CD2 4.39Å; L266-I281 HydrophobicContact CD1-CD1 4.22Å |
| 267 | H | 87.3 | Confident | 76.5 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.4 | -179.3 | 177.2 | 76.3 | 0 | 0 | 0 | 109.4 | D201 T203 L229 L230 L232 | D201-H267 IonicContact OD1-CE1 2.75Å; D201-H267 PolarHBondContact OD1-CE1 2.89Å; D201-H267 IonicContact OD1-ND1 2.82Å; D201-H267 IonicContact OD2-CE1 3.45Å; D201-H267 PolarHBondContact OD2-CE1 2.92Å; T203-H267 PolarHBondContact OG1-ND1 2.04Å; L229-H267 WeakPolarHBondContact CA-O 3.47Å; L230-H267 HydrophobicContact CB-CB 4.43Å; L230-H267 PolarHBondContact N-O 3.06Å; L230-H267 PolarHBondContact O-N 2.96Å; L232-H267 HydrophobicContact CD1-CB 4.19Å |
| 268 | F | 85.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.022 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.7 | -176.8 | 174.8 | -116.8 | 0 | 0 | 0 | 110.3 | L200 C202 L223 E227 E228 L229 F279 | L200-F268 HydrophobicContact CD2-CE1 4.21Å; C202-F268 PolarHBondContact N-O 2.96Å; C202-F268 PolarHBondContact O-N 2.82Å; L223-F268 HydrophobicContact CD2-CE2 3.86Å; E227-F268 HydrophobicContact CB-CE2 4.3Å; E228-F268 WeakPolarHBondContact O-CA 3.42Å; E228-F268 WeakPolarHBondContact O-CD2 3.28Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.95Å; L229-F268 HydrophobicContact CD1-CD2 4.35Å; F268-F279 HydrophobicContact CB-CE1 4.03Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 AromaticContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD2-CD1 4.28Å; F268-F279 AromaticContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CE1-CE1 4.4Å; F268-F279 HydrophobicContact CE2-CD1 4.43Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.5Å; F268-F279 AromaticContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CZ 4.46Å |
| 269 | Q | 82.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.2 | 179.2 | -168.1 | 171.2 | 99.2 | 0 | 0 | 110.9 | L199 L200 D201 E227 E228 | L199-Q269 HydrophobicContact CD1-CG 4.37Å; L199-Q269 HydrophobicContact CD2-CG 4.17Å; L199-Q269 HydrophobicContact CG-CG 4.39Å; L200-Q269 WeakPolarHBondContact O-CA 3.39Å; D201-Q269 PolarHBondContact OD2-NE2 3.24Å; E227-Q269 WeakPolarHBondContact CA-O 3.2Å; E228-Q269 PolarHBondContact N-O 3.41Å; E228-Q269 PolarHBondContact O-N 2.98Å |
| 270 | S | 75.6 | Confident | 75.9 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 118.7 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | L200 E227 R272 | L200-S270 PolarHBondContact N-O 3.03Å; L200-S270 PolarHBondContact O-N 2.85Å; E227-S270 WeakPolarHBondContact CG-OG 3.48Å; E227-S270 WeakPolarHBondContact OE1-CB 3.35Å; E227-S270 PolarHBondContact OE1-OG 3.31Å; S270-R272 VanDerWaalsContact C-N 3.34Å; S270-R272 PolarHBondContact O-N 2.92Å; S270-R272 PolarHBondContact OG-O 3.08Å |
| 271 | P | 67.7 | Low | 76.2 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -83.5 | -3.4 | -171.1 | 32.1 | -35.9 | 0 | 0 | 0 | 114.6 | L199 E226 | L199-P271 HydrophobicContact CD1-CB 4.3Å; E226-P271 HydrophobicContact CB-CG 3.81Å; E226-P271 WeakPolarHBondContact O-CD 3.46Å; E226-P271 WeakPolarHBondContact O-CG 3.11Å |
| 272 | R | 63.2 | Low | 76.5 | Confident | 162 Ų | 162 | 52.6 Ų | 52.6 | 61% | 0.611 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -146 | 164 | -178.6 | -64.2 | -174.1 | -177 | 133.7 | 7.1 | 110.5 | E226 S270 P274 | E226-R272 IonicContact OE1-CZ 3.32Å; E226-R272 IonicContact OE1-NH1 3.54Å; E226-R272 PolarHBondContact OE1-NH1 2.93Å; E226-R272 IonicContact OE1-NH2 3.4Å; E226-R272 PolarHBondContact OE1-NH2 2.86Å; E226-R272 IonicContact OE2-CZ 3.61Å; E226-R272 IonicContact OE2-NE 3.89Å; E226-R272 IonicContact OE2-NH1 3.18Å; E226-R272 PolarHBondContact OE2-NH1 2.79Å; E226-R272 IonicContact OE2-NH2 2.68Å; S270-R272 VanDerWaalsContact C-N 3.34Å; S270-R272 PolarHBondContact O-N 2.92Å; S270-R272 PolarHBondContact OG-O 3.08Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å; R272-P274 VanDerWaalsContact O-N 3.14Å |
| 273 | V | 55.8 | Low | 76.8 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | trans | -59.5 | 113.6 | 172.3 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 274 | P | 53.1 | Low | 77 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | trans | -62.4 | 145.3 | -178 | -23.3 | 34.5 | 0 | 0 | 0 | 112.6 | L189 E227 R272 | L189-P274 VanDerWaalsContact CD1-CD 3.45Å; L189-P274 HydrophobicContact CD1-CG 4.13Å; E227-P274 WeakPolarHBondContact OE1-CG 3.38Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å; R272-P274 VanDerWaalsContact O-N 3.14Å | ||
| 275 | R | 52.8 | Low | 77.1 | Confident | 252 Ų | 252 | 52.2 Ų | 52.2 | 95% | 0.951 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -106.1 | 69.3 | 175.6 | -71.7 | -174 | 174.4 | -176 | -0.8 | 111.1 | G277 | R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.67Å |
| 276 | G | 54.9 | Low | 77 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 72% | 0.722 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 74.7 | 11.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N222 | N222-G276 PolarHBondContact ND2-O 3.43Š|
| 277 | G | 63.7 | Low | 76.7 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | trans | -76.8 | 152 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N222 R275 | N222-G277 CarbonylContact O-C 3.58Å; N222-G277 WeakPolarHBondContact O-CA 3.25Å; R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.67Å | ||
| 278 | G | 74.2 | Confident | 76.5 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | 171.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S186 N222 | S186-G278 WeakPolarHBondContact OG-CA 3.35Å; N222-G278 PolarHBondContact N-O 2.89Å; N222-G278 PolarHBondContact O-N 2.6Å |
| 279 | F | 84.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.5 | 178.6 | 66.9 | -94 | 0 | 0 | 0 | 111.5 | V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281 | V184-F279 HydrophobicContact CG1-CE2 4.14Å; E185-F279 WeakPolarHBondContact CA-O 3.41Å; S186-F279 PolarHBondContact N-O 3.32Å; S186-F279 VanDerWaalsContact N-O 3.07Å; S186-F279 PolarHBondContact OG-N 2.91Å; S186-F279 VanDerWaalsContact OG-N 3.14Å; Y204-F279 HydrophobicContact CD2-CZ 4.49Å; Y204-F279 AromaticContact CE2-CZ 3.97Å; Y204-F279 HydrophobicContact CE2-CZ 3.97Å; T220-F279 WeakPolarHBondContact O-CA 3.46Å; L221-F279 HydrophobicContact CD1-CB 4.05Å; L223-F279 HydrophobicContact CD2-CD1 4.46Å; L229-F279 HydrophobicContact CD1-CE1 4.27Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.43Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.39Å; L229-F279 HydrophobicContact CD2-CG 4.12Å; F268-F279 HydrophobicContact CB-CE1 4.03Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 AromaticContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD2-CD1 4.28Å; F268-F279 AromaticContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CE1-CE1 4.4Å; F268-F279 HydrophobicContact CE2-CD1 4.43Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.5Å; F268-F279 AromaticContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CZ 4.46Å; F279-I281 HydrophobicContact CD2-CD1 3.99Å; F279-I281 HydrophobicContact CD2-CG1 4.13Å; F279-I281 HydrophobicContact CE2-CD1 4.35Å |
| 280 | R | 87.1 | Confident | 76.6 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 116.6 | 170.9 | -174.1 | -179 | -167.1 | 80.1 | 27.1 | 108.6 | Y183 E185 Q219 T220 | Y183-R280 HydrophobicContact CD1-CG 4.48Å; Y183-R280 VanDerWaalsContact CG-NH2 3.27Å; E185-R280 HydrophobicContact CG-CG 4.24Å; E185-R280 IonicContact OE1-CZ 3.88Å; E185-R280 IonicContact OE1-NH1 3.39Å; E185-R280 PolarHBondContact OE1-NH1 2.78Å; E185-R280 IonicContact OE1-NH2 2.64Å; E185-R280 PolarHBondContact OE1-NH2 3.39Å; E185-R280 IonicContact OE2-CZ 3.88Å; E185-R280 IonicContact OE2-NH1 3.38Å; E185-R280 PolarHBondContact OE2-NH1 2.64Å; Q219-R280 WeakPolarHBondContact CA-O 3.2Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.33Å; Q219-R280 PolarHBondContact N-O 3.47Å; T220-R280 PolarHBondContact N-O 2.99Å; T220-R280 VanDerWaalsContact N-O 3.14Å; T220-R280 PolarHBondContact O-N 2.89Å; T220-R280 VanDerWaalsContact OG1-CB 3.25Å; T220-R280 WeakPolarHBondContact OG1-CB 3.28Å; T220-R280 PolarHBondContact OG1-N 2.88Å |
| 281 | I | 89.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.3 | 177.9 | -68.7 | 172.1 | 0 | 0 | 0 | 108.1 | Y183 V184 I216 L229 L266 F279 | Y183-I281 CarbonylContact C-O 3.54Å; Y183-I281 WeakPolarHBondContact CA-O 3.42Å; V184-I281 PolarHBondContact N-O 3.23Å; V184-I281 PolarHBondContact O-N 3.38Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.37Å; I216-I281 HydrophobicContact CG2-CG2 3.9Å; L229-I281 HydrophobicContact CD2-CD1 4.15Å; L266-I281 HydrophobicContact CD1-CD1 4.22Å; F279-I281 HydrophobicContact CD2-CD1 3.99Å; F279-I281 HydrophobicContact CD2-CG1 4.13Å; F279-I281 HydrophobicContact CE2-CD1 4.35Å |
| 282 | H | 91.9 | Very high | 77.6 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 13% | 0.125 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 141 | 164.3 | -178.4 | -121.1 | 0 | 0 | 0 | 108.6 | G182 Y183 I216 Q217 Q219 | G182-H282 CarbonylContact O-C 3.46Å; G182-H282 WeakPolarHBondContact O-CA 3.41Å; G182-H282 PolarHBondContact O-CD2 2.91Å; Y183-H282 HydrophobicContact CD1-CB 4.01Å; Y183-H282 AromaticContact CD1-CD2 3.95Å; Y183-H282 HydrophobicContact CE1-CB 3.74Å; Y183-H282 AromaticContact CE1-CD2 3.37Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.31Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.52Å; I216-H282 CarbonylContact C-O 3.56Å; I216-H282 VanDerWaalsContact CA-O 3.3Å; I216-H282 WeakPolarHBondContact CA-O 3.46Å; Q217-H282 HydrophobicContact CB-CB 4.41Å; Q217-H282 PolarHBondContact N-O 3.08Å; Q217-H282 PolarHBondContact O-N 2.83Å; Q219-H282 HydrophobicContact CG-CB 4.08Å |
| 283 | Y | 92.1 | Very high | 78.6 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.6 | 173.1 | 76.7 | -87.9 | 0 | 0 | 0 | 110.4 | I177 E181 G182 V184 I206 I214 E215 | I177-Y283 HydrophobicContact CG2-CE1 4.14Å; I177-Y283 HydrophobicContact CG2-CE2 4.4Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.42Å; E181-Y283 CarbonylContact C-O 3.5Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 2.85Å; G182-Y283 VanDerWaalsContact C-CD1 3.4Å; G182-Y283 VanDerWaalsContact CA-CE1 3.49Å; G182-Y283 PolarHBondContact N-O 3.06Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.35Å; G182-Y283 PolarHBondContact O-N 3.25Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.33Å; I206-Y283 HydrophobicContact CD1-CD1 4.22Å; I206-Y283 HydrophobicContact CD1-CD2 4.42Å; I206-Y283 HydrophobicContact CD1-CG 4.03Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 3.84Å; I206-Y283 HydrophobicContact CG2-CG 4.43Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å; E215-Y283 CarbonylContact O-C 3.57Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 2.99Å |
| 284 | Q | 91.5 | Very high | 79.8 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.9 | 176.7 | 63.4 | -175.5 | 4.4 | 0 | 0 | 111.7 | G180 E181 E215 | G180-Q284 CarbonylContact O-C 3.6Å; E181-Q284 HydrophobicContact CB-CB 4.47Å; E215-Q284 HydrophobicContact CB-CG 4.13Å; E215-Q284 PolarHBondContact N-O 2.91Å; E215-Q284 PolarHBondContact O-N 2.96Å; E215-Q284 PolarHBondContact OE1-NE2 3.45Å |
| 285 | A | 89.3 | Confident | 81.1 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G180 V208 Y212 G213 | G180-A285 VanDerWaalsContact O-CB 3.31Å; G180-A285 WeakPolarHBondContact O-CB 3.5Å; G180-A285 PolarHBondContact O-N 3.44Å; V208-A285 HydrophobicContact CB-CB 4.32Å; V208-A285 HydrophobicContact CG1-CB 4.01Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; G213-A285 CarbonylContact O-C 3.6Å; G213-A285 WeakPolarHBondContact O-CA 3.11Å |
| 286 | Y | 86.5 | Confident | 82.6 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.8 | 170.4 | 80.2 | -87.7 | 0 | 0 | 0 | 109.8 | Y212 G213 E215 R258 S259 L288 | Y212-Y286 CarbonylContact C-O 3.5Å; Y212-Y286 VanDerWaalsContact CA-O 3.26Å; Y212-Y286 WeakPolarHBondContact CA-O 3.36Å; Y212-Y286 WeakPolarHBondContact CB-O 3.45Å; G213-Y286 VanDerWaalsContact C-CD1 3.47Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.46Å; G213-Y286 PolarHBondContact O-N 2.95Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å; R258-Y286 HydrophobicContact CB-CE1 3.83Å; R258-Y286 HydrophobicContact CG-CD1 4.44Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å; S259-Y286 PolarHBondContact O-OH 3.05Å; Y286-L288 HydrophobicContact CE2-CD2 3.9Å; Y286-L288 PolarHBondContact O-N 3.08Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.06Å |
| 287 | L | 83 | Confident | 83.7 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.4 | -178.9 | -164.6 | 61.2 | 0 | 0 | 0 | 110.2 | Y212 H307 | Y212-L287 HydrophobicContact CD1-CD1 4.09Å; Y212-L287 HydrophobicContact CD2-CD1 4.35Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.69Å; Y212-L287 HydrophobicContact CE2-CD1 3.97Å; Y212-L287 HydrophobicContact CG-CD1 4.4Å; L287-H307 HydrophobicContact CD2-CB 3.9Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.28Å; L287-H307 VanDerWaalsContact CD2-CG 3.4Å; L287-H307 HydrophobicContact CG-CB 4.36Å |
| 288 | L | 83 | Confident | 84.5 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | trans | -82.8 | 142.9 | 171.7 | -72.2 | 167.2 | 0 | 0 | 0 | 109.5 | G211 Y212 Y286 P308 P336 | G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 3.32Å; Y212-L288 VanDerWaalsContact O-CD1 3.28Å; Y212-L288 WeakPolarHBondContact O-CD1 3.21Å; Y286-L288 HydrophobicContact CE2-CD2 3.9Å; Y286-L288 PolarHBondContact O-N 3.08Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.06Å; L288-P308 WeakPolarHBondContact O-CD 3.46Å; L288-P336 HydrophobicContact CB-CG 3.61Å | ||
| 289 | S | 84.4 | Confident | 85 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | trans | -112.2 | 150.9 | 174.3 | -32.5 | 0 | 0 | 0 | 0 | 109.9 | L306 H307 | S289-L306 CarbonylContact C-O 3.47Å; S289-L306 VanDerWaalsContact CA-O 3.31Å; S289-L306 WeakPolarHBondContact CA-O 3.47Å; S289-H307 PolarHBondContact OG-CD2 2.94Å; S289-H307 PolarHBondContact OG-NE2 2.04Å | ||
| 290 | C | 84.6 | Confident | 85 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 150.2 | 160 | -74.9 | 0 | 0 | 0 | 0 | 110 | L306 C330 S337 W338 | C290-L306 PolarHBondContact N-O 2.85Å; C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.46Å; C290-C330 WeakPolarHBondContact SG-CA 3.05Å; C290-C330 WeakPolarHBondContact SG-CB 3.46Å; C290-C330 CovalentContact SG-SG 2.03Å; C290-C330 PolarHBondContact SG-SG 3.36Å; C290-S337 PolarHBondContact SG-N 3.45Å; C290-S337 VanDerWaalsContact SG-N 3.44Å; C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CZ2 3.77Å |
| 291 | G | 82.3 | Confident | 85 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 140.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W338 | G291-W338 PolarHBondContact O-NE1 3.3Š|
| 292 | F | 82.3 | Confident | 84.9 | Confident | 125 Ų | 125 | 50.8 Ų | 50.8 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 125.6 | 176 | -167.3 | -83.5 | 0 | 0 | 0 | 109.2 | V301 V303 L306 | F292-V301 HydrophobicContact CE1-CG1 3.82Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; F292-V303 HydrophobicContact CD2-CG2 4.41Å; F292-V303 HydrophobicContact CE2-CB 4.28Å; F292-V303 HydrophobicContact CE2-CG2 3.78Å; F292-V303 HydrophobicContact CZ-CG2 3.95Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.06Å |
| 293 | P | 84.9 | Confident | 84.6 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.8 | -175.3 | 26.1 | -33.1 | 0 | 0 | 0 | 110.2 | R295 V301 V303 A312 F314 W338 T342 | P293-R295 PolarHBondContact O-N 3.43Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.87Å; P293-V303 HydrophobicContact CG-CG2 3.99Å; P293-A312 HydrophobicContact CG-CB 3.95Å; P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.84Å; P293-F314 HydrophobicContact CG-CZ 4.23Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; P293-T342 HydrophobicContact CB-CG2 4.32Å |
| 294 | P | 81.8 | Confident | 84.4 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 137.9 | 173 | 26.6 | -33.7 | 0 | 0 | 0 | 109.6 | T342 | P294-T342 HydrophobicContact CG-CG2 3.93Š|
| 295 | R | 80.1 | Confident | 83.9 | Confident | 176 Ų | 176 | 56.1 Ų | 56.1 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 135.7 | 169.9 | -74.9 | -178.3 | -67.7 | -164 | 0.8 | 109.1 | P293 D300 V301 | P293-R295 PolarHBondContact O-N 3.43Å; R295-D300 WeakPolarHBondContact CD-OD1 3.23Å; R295-V301 HydrophobicContact CG-CG1 3.9Å |
| 296 | P | 84.6 | Confident | 83.6 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64 | 156.7 | 172.8 | 29 | -33.5 | 0 | 0 | 0 | 110 | F314 | P296-F314 HydrophobicContact CG-CD1 4.41Š|
| 297 | A | 76.9 | Confident | 83.5 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 135 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | C345 | A297-C345 WeakPolarHBondContact O-CB 3.47Š|
| 298 | H | 80.8 | Confident | 83.5 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 44.8 | -178.1 | -42.1 | -61.6 | 0 | 0 | 0 | 113.8 | D317 Y320 C345 E365 | H298-D317 VanDerWaalsContact CA-OD2 3.26Å; H298-D317 WeakPolarHBondContact CA-OD2 3.37Å; H298-D317 PolarHBondContact O-N 3Å; H298-Y320 HydrophobicContact CB-CD1 3.71Å; H298-Y320 HydrophobicContact CB-CD2 3.77Å; H298-Y320 HydrophobicContact CB-CE1 3.6Å; H298-Y320 HydrophobicContact CB-CE2 3.65Å; H298-Y320 HydrophobicContact CB-CG 3.81Å; H298-Y320 AromaticContact CD2-CE1 3.3Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.43Å; H298-Y320 AromaticContact CD2-CZ 3.6Å; H298-Y320 AromaticContact CG-CE1 3.5Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.4Å; H298-Y320 VanDerWaalsContact CG-CZ 3.4Å; H298-Y320 AromaticContact ND1-CZ 3.91Å; H298-C345 WeakPolarHBondContact O-CB 3.28Å; H298-E365 IonicContact CD2-OE1 3.25Å; H298-E365 IonicContact CE1-OE1 2.91Å; H298-E365 IonicContact NE2-OE1 2.71Å; H298-E365 PolarHBondContact NE2-OE1 2.79Å |
| 299 | G | 84.9 | Confident | 83.6 | Confident | 14 Ų | 14 | 58 Ų | 58 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | -179.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H315 D317 | G299-H315 CarbonylContact C-O 3.59Å; G299-H315 WeakPolarHBondContact CA-O 3.29Å; G299-D317 PolarHBondContact N-OD2 2.91Å |
| 300 | D | 83.1 | Confident | 83.7 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 166.7 | -178.8 | -164.8 | 25.9 | 0 | 0 | 0 | 112.2 | R295 H315 | R295-D300 WeakPolarHBondContact CD-OD1 3.23Å; D300-H315 PolarHBondContact N-O 2.93Å; D300-H315 PolarHBondContact O-N 2.84Å |
| 301 | V | 88.1 | Confident | 84.1 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 115 | 178.7 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | F292 P293 R295 V303 A312 F314 | F292-V301 HydrophobicContact CE1-CG1 3.82Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.87Å; R295-V301 HydrophobicContact CG-CG1 3.9Å; V301-V303 HydrophobicContact CG2-CG2 4.16Å; V301-A312 HydrophobicContact CG2-CB 3.95Å; V301-F314 HydrophobicContact CB-CD1 3.86Å; V301-F314 HydrophobicContact CB-CE1 3.85Å; V301-F314 HydrophobicContact CB-CZ 4.49Å; V301-F314 HydrophobicContact CG2-CD1 3.69Å; V301-F314 HydrophobicContact CG2-CD2 4.19Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.99Å; V301-F314 HydrophobicContact CG2-CG 4.04Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å |
| 302 | S | 87 | Confident | 84.4 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.5 | 169.4 | 36.1 | 0 | 0 | 0 | 0 | 109.2 | A312 T313 H315 | S302-A312 CarbonylContact O-C 3.5Å; S302-A312 WeakPolarHBondContact O-CA 3.5Å; S302-T313 PolarHBondContact N-O 2.7Å; S302-T313 PolarHBondContact O-N 3.07Å; S302-T313 PolarHBondContact O-OG1 2.83Å; S302-T313 PolarHBondContact OG-O 2.82Å; S302-T313 VanDerWaalsContact OG-O 3.13Å; S302-T313 PolarHBondContact OG-OG1 3.45Å; S302-H315 PolarHBondContact OG-CE1 2.83Å; S302-H315 PolarHBondContact OG-ND1 2.04Å |
| 303 | V | 86.6 | Confident | 84.9 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.7 | -178 | -176.8 | 0 | 0 | 0 | 0 | 109 | F292 P293 V301 D305 L306 T311 A312 W338 | F292-V303 HydrophobicContact CD2-CG2 4.41Å; F292-V303 HydrophobicContact CE2-CB 4.28Å; F292-V303 HydrophobicContact CE2-CG2 3.78Å; F292-V303 HydrophobicContact CZ-CG2 3.95Å; P293-V303 HydrophobicContact CG-CG2 3.99Å; V301-V303 HydrophobicContact CG2-CG2 4.16Å; V303-D305 WeakPolarHBondContact CG1-O 3.3Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.19Å; V303-T311 WeakPolarHBondContact CA-O 3.37Å; V303-A312 HydrophobicContact CG2-CB 4.04Å; V303-W338 HydrophobicContact CG1-CH2 4.46Å |
| 304 | T | 86.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -80.3 | -45.8 | 180 | 57 | 0 | 0 | 0 | 0 | 111.7 | T311 | T304-T311 WeakPolarHBondContact CG2-OG1 3.49Å; T304-T311 PolarHBondContact N-O 3.19Å; T304-T311 PolarHBondContact OG1-N 2.89Å; T304-T311 PolarHBondContact OG1-O 3.19Å; T304-T311 VanDerWaalsContact OG1-O 3.09Å; T304-T311 PolarHBondContact OG1-OG1 3.08Å |
| 305 | D | 80.4 | Confident | 85.6 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | trans | -153.5 | 153 | 169.6 | -164.1 | -4 | 0 | 0 | 0 | 109.4 | V303 H307 G310 | V303-D305 WeakPolarHBondContact CG1-O 3.3Å; D305-H307 VanDerWaalsContact CG-ND1 3.26Å; D305-H307 IonicContact OD1-CE1 3.64Å; D305-H307 PolarHBondContact OD1-CE1 2.98Å; D305-H307 IonicContact OD1-CG 2.81Å; D305-H307 PolarHBondContact OD1-N 2.78Å; D305-H307 VanDerWaalsContact OD1-N 3.16Å; D305-H307 IonicContact OD1-ND1 3.45Å; D305-H307 PolarHBondContact OD1-ND1 2.91Å; D305-H307 IonicContact OD2-CG 3.19Å; D305-H307 IonicContact OD2-ND1 3.85Å; D305-H307 PolarHBondContact OD2-ND1 3.07Å; D305-G310 WeakPolarHBondContact O-CA 3.44Å | ||
| 306 | L | 83.8 | Confident | 86 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -92.9 | -10.8 | 172.3 | -65.8 | 170.1 | 0 | 0 | 0 | 112.4 | S289 C290 F292 V303 C330 W338 | S289-L306 CarbonylContact C-O 3.47Å; S289-L306 VanDerWaalsContact CA-O 3.31Å; S289-L306 WeakPolarHBondContact CA-O 3.47Å; C290-L306 PolarHBondContact N-O 2.85Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.06Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.19Å; L306-C330 PolarHBondContact O-SG 2.86Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; L306-W338 HydrophobicContact CD2-CZ2 4.05Å |
| 307 | H | 84.1 | Confident | 86 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -74.7 | 162.4 | 176.6 | -56.1 | 111.8 | 0 | 0 | 0 | 112.5 | L287 S289 D305 G309 G310 | L287-H307 HydrophobicContact CD2-CB 3.9Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.28Å; L287-H307 VanDerWaalsContact CD2-CG 3.4Å; L287-H307 HydrophobicContact CG-CB 4.36Å; S289-H307 PolarHBondContact OG-CD2 2.94Å; S289-H307 PolarHBondContact OG-NE2 2.04Å; D305-H307 VanDerWaalsContact CG-ND1 3.26Å; D305-H307 IonicContact OD1-CE1 3.64Å; D305-H307 PolarHBondContact OD1-CE1 2.98Å; D305-H307 IonicContact OD1-CG 2.81Å; D305-H307 PolarHBondContact OD1-N 2.78Å; D305-H307 VanDerWaalsContact OD1-N 3.16Å; D305-H307 IonicContact OD1-ND1 3.45Å; D305-H307 PolarHBondContact OD1-ND1 2.91Å; D305-H307 IonicContact OD2-CG 3.19Å; D305-H307 IonicContact OD2-ND1 3.85Å; D305-H307 PolarHBondContact OD2-ND1 3.07Å; H307-G309 PolarHBondContact O-N 2.97Å; H307-G310 WeakPolarHBondContact O-CA 3.45Å; H307-G310 PolarHBondContact O-N 2.91Å |
| 308 | P | 84.4 | Confident | 86.3 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 127 | -179.3 | -25.5 | 35.3 | 0 | 0 | 0 | 112.7 | L288 C330 N332 P336 | L288-P308 WeakPolarHBondContact O-CD 3.46Å; P308-C330 CarbonylContact C-O 3.55Å; P308-C330 WeakPolarHBondContact CA-O 3.09Å; P308-N332 HydrophobicContact CB-CB 3.83Å; P308-N332 HydrophobicContact CG-CB 4.45Å; P308-P336 HydrophobicContact CG-CB 4.33Å; P308-P336 HydrophobicContact CG-CG 4.07Å |
| 309 | G | 84.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | -15.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H307 C330 | H307-G309 PolarHBondContact O-N 2.97Å; G309-C330 PolarHBondContact N-O 2.96Å |
| 310 | G | 86.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | trans | -68 | 154.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | D305 H307 C330 | D305-G310 WeakPolarHBondContact O-CA 3.44Å; H307-G310 WeakPolarHBondContact O-CA 3.45Å; H307-G310 PolarHBondContact O-N 2.91Å; G310-C330 PolarHBondContact O-N 3.33Å | ||
| 311 | T | 91.5 | Very high | 86.4 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.9 | -174.5 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | V303 T304 L328 I329 | V303-T311 WeakPolarHBondContact CA-O 3.37Å; T304-T311 WeakPolarHBondContact CG2-OG1 3.49Å; T304-T311 PolarHBondContact N-O 3.19Å; T304-T311 PolarHBondContact OG1-N 2.89Å; T304-T311 PolarHBondContact OG1-O 3.19Å; T304-T311 VanDerWaalsContact OG1-O 3.09Å; T304-T311 PolarHBondContact OG1-OG1 3.08Å; T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.07Å; T311-I329 HydrophobicContact CG2-CG1 4.33Å |
| 312 | A | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P293 V301 S302 V303 F314 T327 L328 W338 | P293-A312 HydrophobicContact CG-CB 3.95Å; V301-A312 HydrophobicContact CG2-CB 3.95Å; S302-A312 CarbonylContact O-C 3.5Å; S302-A312 WeakPolarHBondContact O-CA 3.5Å; V303-A312 HydrophobicContact CG2-CB 4.04Å; A312-F314 HydrophobicContact CB-CE2 3.96Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; A312-T327 CarbonylContact O-C 3.58Å; A312-T327 WeakPolarHBondContact O-CA 3.32Å; A312-L328 PolarHBondContact N-O 3.47Å; A312-L328 PolarHBondContact O-N 2.82Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.77Å; A312-W338 HydrophobicContact CB-CZ2 4.33Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å |
| 313 | T | 91.9 | Very high | 86.5 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.2 | -175.9 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | S302 H315 E326 T327 | S302-T313 PolarHBondContact N-O 2.7Å; S302-T313 PolarHBondContact O-N 3.07Å; S302-T313 PolarHBondContact O-OG1 2.83Å; S302-T313 PolarHBondContact OG-O 2.82Å; S302-T313 VanDerWaalsContact OG-O 3.13Å; S302-T313 PolarHBondContact OG-OG1 3.45Å; T313-H315 PolarHBondContact O-ND1 3.43Å; T313-H315 VanDerWaalsContact O-ND1 3.07Å; T313-E326 WeakPolarHBondContact CA-O 3.37Å; T313-T327 HydrophobicContact CG2-CG2 3.83Å |
| 314 | F | 91.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.3 | -169.9 | -65.5 | -96.4 | 0 | 0 | 0 | 111 | P293 P296 V301 A312 L322 E326 L328 T342 P343 | P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.84Å; P293-F314 HydrophobicContact CG-CZ 4.23Å; P296-F314 HydrophobicContact CG-CD1 4.41Å; V301-F314 HydrophobicContact CB-CD1 3.86Å; V301-F314 HydrophobicContact CB-CE1 3.85Å; V301-F314 HydrophobicContact CB-CZ 4.49Å; V301-F314 HydrophobicContact CG2-CD1 3.69Å; V301-F314 HydrophobicContact CG2-CD2 4.19Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.99Å; V301-F314 HydrophobicContact CG2-CG 4.04Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å; A312-F314 HydrophobicContact CB-CE2 3.96Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; F314-L322 HydrophobicContact CB-CD1 4.18Å; F314-L322 HydrophobicContact CB-CD2 4.44Å; F314-E326 PolarHBondContact N-O 3.13Å; F314-L328 HydrophobicContact CD2-CG 4.49Å; F314-L328 HydrophobicContact CE2-CB 4.09Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.72Å; F314-L328 HydrophobicContact CZ-CD1 3.93Å; F314-L328 HydrophobicContact CZ-CG 4.44Å; F314-T342 HydrophobicContact CE1-CG2 4.02Å; F314-T342 HydrophobicContact CZ-CG2 3.91Å; F314-P343 HydrophobicContact CB-CG 3.61Å; F314-P343 HydrophobicContact CD1-CG 3.83Å; F314-P343 HydrophobicContact CD2-CG 3.88Å; F314-P343 HydrophobicContact CE1-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.49Å; F314-P343 VanDerWaalsContact CG-CG 3.49Å |
| 315 | H | 88.9 | Confident | 86.7 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.4 | -176.7 | -60.9 | 71.2 | 0 | 0 | 0 | 108.7 | G299 D300 S302 T313 | G299-H315 CarbonylContact C-O 3.59Å; G299-H315 WeakPolarHBondContact CA-O 3.29Å; D300-H315 PolarHBondContact N-O 2.93Å; D300-H315 PolarHBondContact O-N 2.84Å; S302-H315 PolarHBondContact OG-CE1 2.83Å; S302-H315 PolarHBondContact OG-ND1 2.04Å; T313-H315 PolarHBondContact O-ND1 3.43Å; T313-H315 VanDerWaalsContact O-ND1 3.07Å |
| 316 | C | 88.9 | Confident | 87.1 | Confident | 37 Ų | 37 | 59 Ų | 59 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 151.3 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | L322 C345 | C316-L322 WeakPolarHBondContact SG-CA 3.47Å; C316-L322 WeakPolarHBondContact SG-CD1 3.44Å; C316-L322 PolarHBondContact SG-N 2.92Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; C316-C345 WeakPolarHBondContact CA-SG 3.03Å; C316-C345 HydrophobicContact CB-CB 3.78Å; C316-C345 WeakPolarHBondContact CB-SG 3.24Å; C316-C345 VanDerWaalsContact SG-CA 3.57Å; C316-C345 WeakPolarHBondContact SG-CB 3.15Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.09Å |
| 317 | D | 85.2 | Confident | 87.5 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65 | 153.9 | 171.5 | -68.3 | -38.3 | 0 | 0 | 0 | 111 | H298 G299 G319 Y320 | H298-D317 VanDerWaalsContact CA-OD2 3.26Å; H298-D317 WeakPolarHBondContact CA-OD2 3.37Å; H298-D317 PolarHBondContact O-N 3Å; G299-D317 PolarHBondContact N-OD2 2.91Å; D317-G319 PolarHBondContact O-N 2.8Å; D317-Y320 HydrophobicContact CB-CD2 4.18Å; D317-Y320 PolarHBondContact O-N 2.8Å |
| 318 | S | 83.1 | Confident | 87.9 | Confident | 60 Ų | 60 | 57 Ų | 57 | 42% | 0.42 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 127.4 | 179.7 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | R360 | S318-R360 WeakPolarHBondContact O-CB 3.04Å; S318-R360 VanDerWaalsContact O-CD 3.32Å; S318-R360 WeakPolarHBondContact O-CD 3.36Å; S318-R360 VanDerWaalsContact OG-CB 3.28Å; S318-R360 WeakPolarHBondContact OG-CB 3.43Å; S318-R360 PolarHBondContact OG-NE 3.21Å |
| 319 | G | 80.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -12.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D317 R360 V362 | D317-G319 PolarHBondContact O-N 2.8Å; G319-R360 VanDerWaalsContact CA-O 3.3Å; G319-R360 WeakPolarHBondContact CA-O 3.06Å; G319-V362 VanDerWaalsContact O-CG2 3.3Å; G319-V362 WeakPolarHBondContact O-CG2 3.36Å |
| 320 | Y | 85.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 147.3 | 169.3 | -63.4 | -99.1 | 0 | 0 | 0 | 110.7 | H298 D317 A347 V362 | H298-Y320 HydrophobicContact CB-CD1 3.71Å; H298-Y320 HydrophobicContact CB-CD2 3.77Å; H298-Y320 HydrophobicContact CB-CE1 3.6Å; H298-Y320 HydrophobicContact CB-CE2 3.65Å; H298-Y320 HydrophobicContact CB-CG 3.81Å; H298-Y320 AromaticContact CD2-CE1 3.3Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.43Å; H298-Y320 AromaticContact CD2-CZ 3.6Å; H298-Y320 AromaticContact CG-CE1 3.5Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.4Å; H298-Y320 VanDerWaalsContact CG-CZ 3.4Å; H298-Y320 AromaticContact ND1-CZ 3.91Å; D317-Y320 HydrophobicContact CB-CD2 4.18Å; D317-Y320 PolarHBondContact O-N 2.8Å; Y320-A347 HydrophobicContact CD1-CB 4.11Å; Y320-A347 HydrophobicContact CE1-CB 4Å; Y320-V362 HydrophobicContact CD2-CG2 3.97Å; Y320-V362 HydrophobicContact CE1-CG2 4.35Å; Y320-V362 HydrophobicContact CE2-CB 4.24Å; Y320-V362 HydrophobicContact CE2-CG1 3.91Å; Y320-V362 HydrophobicContact CE2-CG2 3.73Å; Y320-V362 HydrophobicContact CG-CG2 4.37Å |
| 321 | Q | 85.3 | Confident | 88.5 | Confident | 135 Ų | 135 | 59.1 Ų | 59.1 | 63% | 0.631 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.3 | 176.7 | -173 | 172.3 | 11.2 | 0 | 0 | 110.3 | M346 | Q321-M346 PolarHBondContact N-O 2.84Å; Q321-M346 PolarHBondContact O-N 3.13Å |
| 322 | L | 87.7 | Confident | 88.2 | Confident | 49 Ų | 49 | 63 Ų | 63 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 131.6 | 179.5 | -162.9 | 76.6 | 0 | 0 | 0 | 111.3 | F314 C316 E326 P343 | F314-L322 HydrophobicContact CB-CD1 4.18Å; F314-L322 HydrophobicContact CB-CD2 4.44Å; C316-L322 WeakPolarHBondContact SG-CA 3.47Å; C316-L322 WeakPolarHBondContact SG-CD1 3.44Å; C316-L322 PolarHBondContact SG-N 2.92Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; L322-E326 HydrophobicContact CD2-CB 3.99Å; L322-E326 HydrophobicContact CD2-CG 4.25Å; L322-P343 HydrophobicContact CD1-CB 3.7Å; L322-P343 HydrophobicContact CD1-CG 3.78Å; L322-P343 HydrophobicContact CD2-CB 4.2Å; L322-P343 HydrophobicContact CD2-CG 4.26Å; L322-P343 HydrophobicContact CG-CB 3.88Å; L322-P343 HydrophobicContact CG-CG 4.28Å |
| 323 | Q | 88.9 | Confident | 87.7 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 106.8 | 170.5 | 179.1 | -178.1 | 57.9 | 0 | 0 | 109.4 | P343 S344 M346 | Q323-P343 WeakPolarHBondContact O-CA 3.41Å; Q323-P343 WeakPolarHBondContact O-CB 3.46Å; Q323-S344 PolarHBondContact N-O 2.77Å; Q323-S344 PolarHBondContact O-N 3.18Å; Q323-S344 PolarHBondContact OE1-OG 3.07Å; Q323-M346 HydrophobicContact CB-CE 4.17Å; Q323-M346 VanDerWaalsContact CD-CE 3.44Å; Q323-M346 HydrophobicContact CG-CE 4.35Å; Q323-M346 VanDerWaalsContact OE1-CE 3.3Å |
| 324 | G | 86.9 | Confident | 86.9 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 136.3 | -161.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 325 | E | 90.1 | Very high | 86.4 | Confident | 131 Ų | 131 | 69.5 Ų | 69.5 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | trans | -79.5 | 127.8 | 173.9 | -67.3 | -66.9 | 166.7 | 0 | 0 | 110.4 | T327 L328 P343 | E325-T327 PolarHBondContact O-N 3.39Å; E325-L328 HydrophobicContact CB-CD2 4.1Å; E325-P343 WeakPolarHBondContact O-CG 3.38Å | ||
| 326 | E | 90.6 | Very high | 86.1 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -65 | -29.8 | 177.1 | -171.6 | -177.9 | 163.1 | 0 | 0 | 112.4 | T313 F314 L322 | T313-E326 WeakPolarHBondContact CA-O 3.37Å; F314-E326 PolarHBondContact N-O 3.13Å; L322-E326 HydrophobicContact CD2-CB 3.99Å; L322-E326 HydrophobicContact CD2-CG 4.25Å |
| 327 | T | 91.6 | Very high | 86 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 39% | 0.387 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 117.8 | -173.9 | 75 | 0 | 0 | 0 | 0 | 111.6 | A312 T313 E325 | A312-T327 CarbonylContact O-C 3.58Å; A312-T327 WeakPolarHBondContact O-CA 3.32Å; T313-T327 HydrophobicContact CG2-CG2 3.83Å; E325-T327 PolarHBondContact O-N 3.39Å |
| 328 | L | 91.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 151.2 | 170.2 | -60.1 | -177.8 | 0 | 0 | 0 | 110.9 | T311 A312 F314 E325 W338 N339 T342 | T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.07Å; A312-L328 PolarHBondContact N-O 3.47Å; A312-L328 PolarHBondContact O-N 2.82Å; F314-L328 HydrophobicContact CD2-CG 4.49Å; F314-L328 HydrophobicContact CE2-CB 4.09Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.72Å; F314-L328 HydrophobicContact CZ-CD1 3.93Å; F314-L328 HydrophobicContact CZ-CG 4.44Å; E325-L328 HydrophobicContact CB-CD2 4.1Å; L328-W338 HydrophobicContact CB-CB 4.47Å; L328-W338 HydrophobicContact CB-CD2 4.43Å; L328-W338 HydrophobicContact CB-CE3 3.84Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; L328-N339 VanDerWaalsContact CA-OD1 3.24Å; L328-N339 WeakPolarHBondContact CA-OD1 3.28Å; L328-N339 WeakPolarHBondContact CB-OD1 3.4Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.3Å; L328-T342 HydrophobicContact CD1-CG2 4.32Å |
| 329 | I | 91.6 | Very high | 86.6 | Confident | 70 Ų | 70 | 66 Ų | 66 | 36% | 0.359 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132 | -176.6 | -50.4 | -179.2 | 0 | 0 | 0 | 109.1 | T311 L331 W338 N339 | T311-I329 HydrophobicContact CG2-CG1 4.33Å; I329-L331 PolarHBondContact O-N 3.37Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; I329-N339 PolarHBondContact N-OD1 3.28Å; I329-N339 PolarHBondContact O-N 2.86Å; I329-N339 PolarHBondContact O-OD1 2.04Å |
| 330 | C | 89.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 113.4 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | C290 L306 P308 G309 G310 W338 | C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.46Å; C290-C330 WeakPolarHBondContact SG-CA 3.05Å; C290-C330 WeakPolarHBondContact SG-CB 3.46Å; C290-C330 CovalentContact SG-SG 2.03Å; C290-C330 PolarHBondContact SG-SG 3.36Å; L306-C330 PolarHBondContact O-SG 2.86Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; P308-C330 CarbonylContact C-O 3.55Å; P308-C330 WeakPolarHBondContact CA-O 3.09Å; G309-C330 PolarHBondContact N-O 2.96Å; G310-C330 PolarHBondContact O-N 3.33Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.06Å; C330-W338 HydrophobicContact CB-CZ3 3.85Å |
| 331 | L | 88.3 | Confident | 87.1 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 145.8 | -178.5 | -59.7 | -178.1 | 0 | 0 | 0 | 111.9 | I329 P336 S337 N339 | I329-L331 PolarHBondContact O-N 3.37Å; L331-P336 WeakPolarHBondContact O-CA 3.15Å; L331-P336 WeakPolarHBondContact O-CB 3.01Å; L331-S337 WeakPolarHBondContact CB-O 3.38Å; L331-S337 PolarHBondContact N-O 3.02Å; L331-N339 HydrophobicContact CD1-CB 3.95Å; L331-N339 HydrophobicContact CD2-CB 4.08Å; L331-N339 HydrophobicContact CG-CB 3.97Å |
| 332 | N | 84.8 | Confident | 87.1 | Confident | 123 Ų | 123 | 70 Ų | 70 | 66% | 0.658 | 38% | 0.384 | S | S | * | . | trans | -76.3 | 139.9 | 172.7 | 59.8 | -9.5 | 0 | 0 | 0 | 111.2 | P308 | P308-N332 HydrophobicContact CB-CB 3.83Å; P308-N332 HydrophobicContact CG-CB 4.45Å | ||
| 333 | G | 79.4 | Confident | 87.2 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 19% | 0.186 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -174.1 | -175.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G211 R335 | G211-G333 PolarHBondContact N-O 2.81Å; G333-R335 VanDerWaalsContact C-N 3.26Å |
| 334 | T | 76.1 | Confident | 87.2 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -68.9 | -29.8 | 171.8 | 56 | 0 | 0 | 0 | 0 | 111.6 | G236 T261 N262 | G236-T334 WeakPolarHBondContact CA-OG1 3.49Å; G236-T334 PolarHBondContact O-OG1 2.77Å; T261-T334 WeakPolarHBondContact CA-O 3.41Å; T261-T334 WeakPolarHBondContact CB-O 3.47Å; N262-T334 PolarHBondContact N-O 2.87Å; N262-T334 WeakPolarHBondContact OD1-CA 3.39Å; N262-T334 WeakPolarHBondContact OD1-CB 3.34Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.37Å |
| 335 | R | 80.6 | Confident | 87.2 | Confident | 115 Ų | 115 | 63 Ų | 63 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -130.6 | 127 | 155 | -63 | -172.5 | 177.6 | 146 | 9.1 | 106.6 | P260 T261 G333 | P260-R335 WeakPolarHBondContact O-CG 3.04Å; T261-R335 HydrophobicContact CG2-CG 3.68Å; G333-R335 VanDerWaalsContact C-N 3.26Å |
| 336 | P | 81.9 | Confident | 86.9 | Confident | 18 Ų | 18 | 61 Ų | 61 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | trans | -61.4 | 142.1 | 170.3 | -24.3 | 35.4 | 0 | 0 | 0 | 111.4 | L288 P308 L331 | L288-P336 HydrophobicContact CB-CG 3.61Å; P308-P336 HydrophobicContact CG-CB 4.33Å; P308-P336 HydrophobicContact CG-CG 4.07Å; L331-P336 WeakPolarHBondContact O-CA 3.15Å; L331-P336 WeakPolarHBondContact O-CB 3.01Å | ||
| 337 | S | 88.2 | Confident | 86.6 | Confident | 68 Ų | 68 | 56 Ų | 56 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.3 | 176 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | C290 L331 | C290-S337 PolarHBondContact SG-N 3.45Å; C290-S337 VanDerWaalsContact SG-N 3.44Å; L331-S337 WeakPolarHBondContact CB-O 3.38Å; L331-S337 PolarHBondContact N-O 3.02Å |
| 338 | W | 89.3 | Confident | 86 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 151.9 | 170.2 | -60.1 | 105.9 | 0 | 0 | 0 | 110.9 | C290 G291 P293 V303 L306 A312 L328 I329 C330 G340 | C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CZ2 3.77Å; G291-W338 PolarHBondContact O-NE1 3.3Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; V303-W338 HydrophobicContact CG1-CH2 4.46Å; L306-W338 HydrophobicContact CD2-CZ2 4.05Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.77Å; A312-W338 HydrophobicContact CB-CZ2 4.33Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å; L328-W338 HydrophobicContact CB-CB 4.47Å; L328-W338 HydrophobicContact CB-CD2 4.43Å; L328-W338 HydrophobicContact CB-CE3 3.84Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.06Å; C330-W338 HydrophobicContact CB-CZ3 3.85Å; W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.89Å |
| 339 | N | 91.2 | Very high | 85.5 | Confident | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -73.9 | -11.9 | -178.4 | 65.3 | -40.5 | 0 | 0 | 0 | 114.7 | L328 I329 L331 | L328-N339 VanDerWaalsContact CA-OD1 3.24Å; L328-N339 WeakPolarHBondContact CA-OD1 3.28Å; L328-N339 WeakPolarHBondContact CB-OD1 3.4Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.3Å; I329-N339 PolarHBondContact N-OD1 3.28Å; I329-N339 PolarHBondContact O-N 2.86Å; I329-N339 PolarHBondContact O-OD1 2.04Å; L331-N339 HydrophobicContact CD1-CB 3.95Å; L331-N339 HydrophobicContact CD2-CB 4.08Å; L331-N339 HydrophobicContact CG-CB 3.97Å |
| 340 | G | 86.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -156 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W338 | W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.89Å |
| 341 | E | 88.4 | Confident | 85 | Confident | 183 Ų | 183 | 57.3 Ų | 57.3 | 86% | 0.855 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 153.6 | 173.4 | -61.6 | -177.1 | 165.1 | 0 | 0 | 110.5 | ||
| 342 | T | 84.9 | Confident | 85.1 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -70 | 133.4 | 179.5 | 46.8 | 0 | 0 | 0 | 0 | 111.5 | P293 P294 F314 L328 | P293-T342 HydrophobicContact CB-CG2 4.32Å; P294-T342 HydrophobicContact CG-CG2 3.93Å; F314-T342 HydrophobicContact CE1-CG2 4.02Å; F314-T342 HydrophobicContact CZ-CG2 3.91Å; L328-T342 HydrophobicContact CD1-CG2 4.32Å |
| 343 | P | 90.4 | Very high | 85.4 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 158.5 | 178.7 | 31.2 | -38.4 | 0 | 0 | 0 | 112.1 | F314 L322 Q323 E325 | F314-P343 HydrophobicContact CB-CG 3.61Å; F314-P343 HydrophobicContact CD1-CG 3.83Å; F314-P343 HydrophobicContact CD2-CG 3.88Å; F314-P343 HydrophobicContact CE1-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.49Å; F314-P343 VanDerWaalsContact CG-CG 3.49Å; L322-P343 HydrophobicContact CD1-CB 3.7Å; L322-P343 HydrophobicContact CD1-CG 3.78Å; L322-P343 HydrophobicContact CD2-CB 4.2Å; L322-P343 HydrophobicContact CD2-CG 4.26Å; L322-P343 HydrophobicContact CG-CB 3.88Å; L322-P343 HydrophobicContact CG-CG 4.28Å; Q323-P343 WeakPolarHBondContact O-CA 3.41Å; Q323-P343 WeakPolarHBondContact O-CB 3.46Å; E325-P343 WeakPolarHBondContact O-CG 3.38Å |
| 344 | S | 87.9 | Confident | 85.9 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 147.6 | 173 | 52.1 | 0 | 0 | 0 | 0 | 111 | Q323 | Q323-S344 PolarHBondContact N-O 2.77Å; Q323-S344 PolarHBondContact O-N 3.18Å; Q323-S344 PolarHBondContact OE1-OG 3.07Å |
| 345 | C | 88.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.6 | 168.9 | -66.8 | 0 | 0 | 0 | 0 | 108.9 | A297 H298 C316 | A297-C345 WeakPolarHBondContact O-CB 3.47Å; H298-C345 WeakPolarHBondContact O-CB 3.28Å; C316-C345 WeakPolarHBondContact CA-SG 3.03Å; C316-C345 HydrophobicContact CB-CB 3.78Å; C316-C345 WeakPolarHBondContact CB-SG 3.24Å; C316-C345 VanDerWaalsContact SG-CA 3.57Å; C316-C345 WeakPolarHBondContact SG-CB 3.15Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.09Å |
| 346 | M | 83.2 | Confident | 87 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.9 | -177.9 | -63.2 | -161.8 | -54.4 | 0 | 0 | 111.7 | Q321 Q323 | Q321-M346 PolarHBondContact N-O 2.84Å; Q321-M346 PolarHBondContact O-N 3.13Å; Q323-M346 HydrophobicContact CB-CE 4.17Å; Q323-M346 VanDerWaalsContact CD-CE 3.44Å; Q323-M346 HydrophobicContact CG-CE 4.35Å; Q323-M346 VanDerWaalsContact OE1-CE 3.3Å |
| 347 | A | 83.4 | Confident | 87.4 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y320 V362 S363 | Y320-A347 HydrophobicContact CD1-CB 4.11Å; Y320-A347 HydrophobicContact CE1-CB 4Å; A347-V362 HydrophobicContact CB-CB 4.15Å; A347-V362 HydrophobicContact CB-CG2 3.58Å; A347-S363 WeakPolarHBondContact CB-O 3.41Å |
| 348 | S | 80.6 | Confident | 87.5 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | trans | -91.2 | 115.7 | 177.4 | 49 | 0 | 0 | 0 | 0 | 111.8 | G350 W378 | S348-G350 PolarHBondContact O-N 3.01Å; S348-W378 PolarHBondContact O-NE1 3.05Å | ||
| 349 | C | 80.3 | Confident | 87.5 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -72.8 | 90.5 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | P364 L374 T375 C376 | C349-P364 HydrophobicContact CB-CG 3.81Å; C349-L374 HydrophobicContact CB-CD1 4.39Å; C349-L374 VanDerWaalsContact SG-CD1 3.56Å; C349-T375 PolarHBondContact SG-O 2.75Å; C349-C376 VanDerWaalsContact CA-SG 3.51Å; C349-C376 HydrophobicContact CB-CB 4.11Å; C349-C376 WeakPolarHBondContact CB-SG 3.32Å; C349-C376 WeakPolarHBondContact SG-CA 3.33Å; C349-C376 WeakPolarHBondContact SG-CB 3.34Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.03Å |
| 350 | G | 82.6 | Confident | 87.4 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 86 | 168.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S348 R377 W378 | S348-G350 PolarHBondContact O-N 3.01Å; G350-R377 CarbonylContact C-O 3.48Å; G350-R377 WeakPolarHBondContact CA-O 3.43Å; G350-W378 VanDerWaalsContact CA-CD1 3.48Å; G350-W378 VanDerWaalsContact N-CE2 3.35Å; G350-W378 VanDerWaalsContact N-NE1 3.12Å |
| 351 | G | 87.8 | Confident | 87.6 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.2 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R377 W378 V379 | G351-R377 PolarHBondContact N-O 3.36Å; G351-W378 CarbonylContact O-C 3.44Å; G351-W378 VanDerWaalsContact O-CA 3.31Å; G351-W378 WeakPolarHBondContact O-CA 3.38Å; G351-V379 PolarHBondContact O-N 3.07Å |
| 352 | T | 90.8 | Very high | 87.5 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.4 | 174.5 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | H354 V379 | T352-H354 WeakPolarHBondContact CG2-CE1 3.14Å; T352-V379 CarbonylContact C-O 3.59Å; T352-V379 WeakPolarHBondContact CA-O 3.42Å; T352-V379 HydrophobicContact CG2-CB 4.09Å; T352-V379 HydrophobicContact CG2-CG1 4.32Å |
| 353 | I | 90.4 | Very high | 87.4 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 97.1 | -178.6 | -54.3 | 177.9 | 0 | 0 | 0 | 107.8 | A356 I361 V379 E381 F456 | I353-A356 HydrophobicContact CG2-CB 4.2Å; I353-I361 HydrophobicContact CD1-CD1 4.33Å; I353-I361 HydrophobicContact CD1-CG1 4.2Å; I353-V379 PolarHBondContact N-O 3.22Å; I353-E381 PolarHBondContact O-N 2.99Å; I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.66Å; I353-F456 HydrophobicContact CG2-CE2 4.29Å; I353-F456 HydrophobicContact CG2-CZ 3.94Å |
| 354 | H | 91 | Very high | 86.8 | Confident | 125 Ų | 125 | 48 Ų | 48 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.3 | 177.6 | -56.1 | -72 | 0 | 0 | 0 | 111.6 | T352 A356 E381 | T352-H354 WeakPolarHBondContact CG2-CE1 3.14Å; H354-A356 VanDerWaalsContact C-N 3.27Å; H354-A356 PolarHBondContact O-N 2.88Å; H354-E381 CarbonylContact C-O 3.57Å; H354-E381 IonicContact CE1-OE2 3.79Å; H354-E381 PolarHBondContact CE1-OE2 2.87Å; H354-E381 IonicContact CG-OE2 3.4Å; H354-E381 IonicContact ND1-OE2 3.14Å; H354-E381 PolarHBondContact ND1-OE2 2.98Å |
| 355 | N | 90.6 | Very high | 85.9 | Confident | 120 Ų | 120 | 50.9 Ų | 50.9 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 44.9 | -174.8 | -65.4 | -41.4 | 0 | 0 | 0 | 112.7 | T357 E381 | N355-T357 PolarHBondContact O-N 3.36Å; N355-E381 CarbonylContact C-O 3.58Å; N355-E381 WeakPolarHBondContact CA-O 3.01Å; N355-E381 PolarHBondContact N-O 3.31Å |
| 356 | A | 88.4 | Confident | 84.3 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 135.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | I353 H354 I380 E381 L388 F456 A458 | I353-A356 HydrophobicContact CG2-CB 4.2Å; H354-A356 VanDerWaalsContact C-N 3.27Å; H354-A356 PolarHBondContact O-N 2.88Å; A356-I380 HydrophobicContact CB-CG2 3.52Å; A356-E381 PolarHBondContact N-O 2.8Å; A356-L388 HydrophobicContact CB-CD2 4.12Å; A356-F456 HydrophobicContact CB-CD2 4.17Å; A356-F456 HydrophobicContact CB-CE2 3.82Å; A356-A458 WeakPolarHBondContact O-CB 3.35Å |
| 357 | T | 90.2 | Very high | 82.9 | Confident | 92 Ų | 92 | 53 Ų | 53 | 56% | 0.564 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -129.6 | -57.3 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | N355 A458 | N355-T357 PolarHBondContact O-N 3.36Å; T357-A458 PolarHBondContact O-N 2.74Å |
| 358 | L | 90.6 | Very high | 81.4 | Confident | 102 Ų | 102 | 54.4 Ų | 54.4 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 142.4 | 169.2 | 178.9 | 67 | 0 | 0 | 0 | 108.6 | R455 F456 E457 | L358-R455 HydrophobicContact CD1-CG 4.47Å; L358-R455 VanDerWaalsContact CD1-NH2 3.32Å; L358-F456 CarbonylContact C-O 3.56Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; L358-E457 HydrophobicContact CD1-CB 4.14Å; L358-E457 HydrophobicContact CD1-CG 4.17Å |
| 359 | G | 88.9 | Confident | 79.8 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -167 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R455 F456 | G359-R455 WeakPolarHBondContact O-CA 3.43Å; G359-F456 VanDerWaalsContact C-CE1 3.43Å; G359-F456 VanDerWaalsContact CA-CZ 3.47Å; G359-F456 PolarHBondContact N-O 3.39Å; G359-F456 PolarHBondContact O-N 2.92Å |
| 360 | R | 89.3 | Confident | 78.5 | Confident | 55 Ų | 55 | 59 Ų | 59 | 21% | 0.208 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146.4 | -179 | -173.8 | -170.2 | -64.3 | -102.6 | -4.7 | 110.6 | S318 G319 V362 E393 S453 L454 | S318-R360 WeakPolarHBondContact O-CB 3.04Å; S318-R360 VanDerWaalsContact O-CD 3.32Å; S318-R360 WeakPolarHBondContact O-CD 3.36Å; S318-R360 VanDerWaalsContact OG-CB 3.28Å; S318-R360 WeakPolarHBondContact OG-CB 3.43Å; S318-R360 PolarHBondContact OG-NE 3.21Å; G319-R360 VanDerWaalsContact CA-O 3.3Å; G319-R360 WeakPolarHBondContact CA-O 3.06Å; R360-V362 HydrophobicContact CG-CG1 4.28Å; R360-E393 IonicContact CZ-OE1 2.75Å; R360-E393 VanDerWaalsContact CZ-OE1 3.32Å; R360-E393 IonicContact CZ-OE2 2.75Å; R360-E393 IonicContact NH1-OE1 2.72Å; R360-E393 PolarHBondContact NH1-OE1 3.3Å; R360-E393 IonicContact NH1-OE2 2.81Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 IonicContact NH2-OE1 2.6Å; R360-E393 PolarHBondContact NH2-OE1 3.04Å; R360-E393 IonicContact NH2-OE2 2.84Å; R360-E393 PolarHBondContact NH2-OE2 3.37Å; R360-S453 WeakPolarHBondContact CD-OG 3.36Å; R360-S453 PolarHBondContact NH1-OG 3.2Å; R360-L454 CarbonylContact C-O 3.6Å; R360-L454 VanDerWaalsContact CA-O 3.23Å; R360-L454 WeakPolarHBondContact CA-O 3.5Å; R360-L454 WeakPolarHBondContact CG-O 3.26Å |
| 361 | I | 90.6 | Very high | 77.2 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.1 | 169.5 | -72.9 | 162.9 | 0 | 0 | 0 | 108.1 | I353 W378 I380 S453 L454 F456 | I353-I361 HydrophobicContact CD1-CD1 4.33Å; I353-I361 HydrophobicContact CD1-CG1 4.2Å; I361-W378 HydrophobicContact CD1-CB 3.76Å; I361-W378 HydrophobicContact CD1-CG 4Å; I361-W378 HydrophobicContact CG1-CB 4.49Å; I361-W378 HydrophobicContact CG1-CG 4.23Å; I361-W378 HydrophobicContact CG2-CD2 3.45Å; I361-W378 VanDerWaalsContact CG2-CD2 3.45Å; I361-W378 HydrophobicContact CG2-CE3 3.86Å; I361-W378 HydrophobicContact CG2-CG 3.82Å; I361-W378 HydrophobicContact CG2-CH2 4.04Å; I361-W378 HydrophobicContact CG2-CZ2 3.69Å; I361-W378 HydrophobicContact CG2-CZ3 4.13Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.87Å; I361-S453 WeakPolarHBondContact O-CA 3.4Å; I361-L454 HydrophobicContact CB-CB 4.5Å; I361-L454 PolarHBondContact N-O 2.77Å; I361-L454 PolarHBondContact O-N 2.92Å; I361-F456 HydrophobicContact CD1-CD1 4.14Å; I361-F456 HydrophobicContact CD1-CE1 4.35Å; I361-F456 HydrophobicContact CG1-CD1 4.19Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å |
| 362 | V | 86.7 | Confident | 75.8 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.5 | -179.1 | -83.6 | 0 | 0 | 0 | 0 | 112 | G319 Y320 A347 R360 W378 L452 S453 | G319-V362 VanDerWaalsContact O-CG2 3.3Å; G319-V362 WeakPolarHBondContact O-CG2 3.36Å; Y320-V362 HydrophobicContact CD2-CG2 3.97Å; Y320-V362 HydrophobicContact CE1-CG2 4.35Å; Y320-V362 HydrophobicContact CE2-CB 4.24Å; Y320-V362 HydrophobicContact CE2-CG1 3.91Å; Y320-V362 HydrophobicContact CE2-CG2 3.73Å; Y320-V362 HydrophobicContact CG-CG2 4.37Å; A347-V362 HydrophobicContact CB-CB 4.15Å; A347-V362 HydrophobicContact CB-CG2 3.58Å; R360-V362 HydrophobicContact CG-CG1 4.28Å; V362-W378 WeakPolarHBondContact O-CZ2 3.41Å; V362-L452 VanDerWaalsContact CA-O 3.28Å; V362-L452 WeakPolarHBondContact CA-O 3.22Å; V362-S453 WeakPolarHBondContact CG1-OG 3.36Å |
| 363 | S | 83.6 | Confident | 74.8 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 147.4 | 168.6 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | A347 L450 L452 | A347-S363 WeakPolarHBondContact CB-O 3.41Å; S363-L450 PolarHBondContact OG-O 2.96Å; S363-L452 PolarHBondContact N-O 2.9Å; S363-L452 PolarHBondContact OG-N 2.99Å |
| 364 | P | 78.1 | Confident | 74.1 | Confident | 23 Ų | 23 | 62 Ų | 62 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 144.9 | 163.9 | -17 | 29.6 | 0 | 0 | 0 | 112.1 | C349 L374 | C349-P364 HydrophobicContact CB-CG 3.81Å; P364-L374 HydrophobicContact CG-CD1 4.33Å |
| 365 | E | 68.4 | Low | 73.8 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 141 | 172.8 | -64.1 | 177.6 | -174.2 | 0 | 0 | 111.4 | H298 G367 G368 | H298-E365 IonicContact CD2-OE1 3.25Å; H298-E365 IonicContact CE1-OE1 2.91Å; H298-E365 IonicContact NE2-OE1 2.71Å; H298-E365 PolarHBondContact NE2-OE1 2.79Å; E365-G367 PolarHBondContact O-N 3.01Å; E365-G368 PolarHBondContact O-N 3.07Å |
| 366 | P | 55.5 | Low | 73.7 | Confident | 67 Ų | 67 | 54 Ų | 54 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 107 | 177.3 | 25.8 | -31.9 | 0 | 0 | 0 | 110.8 | P446 | P366-P446 HydrophobicContact CB-CB 3.77Š|
| 367 | G | 53.1 | Low | 73.8 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 83% | 0.825 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.5 | -22.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | E365 | E365-G367 PolarHBondContact O-N 3.01Š|
| 368 | G | 52.7 | Low | 73.9 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 47% | 0.474 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -61.9 | 166.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E365 V370 | E365-G368 PolarHBondContact O-N 3.07Å; G368-V370 PolarHBondContact O-N 2.55Å |
| 369 | A | 45 | Very low | 74.1 | Confident | 118 Ų | 118 | 51.9 Ų | 51.9 | 98% | 0.975 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -74.1 | 35.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 370 | V | 53.6 | Low | 74.3 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | trans | -98.2 | 153 | 178.6 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | G368 L374 | G368-V370 PolarHBondContact O-N 2.55Å; V370-L374 HydrophobicContact CG1-CD1 3.86Å | ||
| 371 | G | 55.4 | Low | 74.5 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | trans | -70.6 | 178 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | N373 | G371-N373 PolarHBondContact O-N 3.13Š| ||
| 372 | P | 58.9 | Low | 74.7 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -65.2 | -22.3 | -174.6 | 26.2 | -35.3 | 0 | 0 | 0 | 114.7 | ||
| 373 | N | 70.2 | Confident | 74.8 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -110.5 | 122.5 | 175 | -57.5 | 71.2 | 0 | 0 | 0 | 108.9 | G371 S443 E444 | G371-N373 PolarHBondContact O-N 3.13Å; N373-S443 CarbonylContact C-O 3.47Å; N373-S443 VanDerWaalsContact CA-O 3.32Å; N373-S443 WeakPolarHBondContact CA-O 3.32Å; N373-E444 PolarHBondContact ND2-OE1 2.76Å |
| 374 | L | 75.9 | Confident | 75 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.7 | 178.8 | 180 | 72.9 | 0 | 0 | 0 | 109 | C349 P364 V370 L441 S443 | C349-L374 HydrophobicContact CB-CD1 4.39Å; C349-L374 VanDerWaalsContact SG-CD1 3.56Å; P364-L374 HydrophobicContact CG-CD1 4.33Å; V370-L374 HydrophobicContact CG1-CD1 3.86Å; L374-L441 HydrophobicContact CD2-CD2 4.49Å; L374-S443 PolarHBondContact N-O 3.27Å; L374-S443 PolarHBondContact O-N 3.1Å |
| 375 | T | 84.6 | Confident | 75.3 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 105 | 174.6 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | C349 L441 L442 | C349-T375 PolarHBondContact SG-O 2.75Å; T375-L441 CarbonylContact C-O 3.56Å; T375-L441 WeakPolarHBondContact CA-O 3.48Å; T375-L442 HydrophobicContact CG2-CD2 3.65Å |
| 376 | C | 87.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.1 | -176.8 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | C349 W378 E440 L441 | C349-C376 VanDerWaalsContact CA-SG 3.51Å; C349-C376 HydrophobicContact CB-CB 4.11Å; C349-C376 WeakPolarHBondContact CB-SG 3.32Å; C349-C376 WeakPolarHBondContact SG-CA 3.33Å; C349-C376 WeakPolarHBondContact SG-CB 3.34Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.03Å; C376-W378 HydrophobicContact CB-CD2 4.49Å; C376-W378 HydrophobicContact CB-CE3 4.14Å; C376-W378 HydrophobicContact CB-CH2 3.21Å; C376-W378 HydrophobicContact CB-CZ2 3.57Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; C376-E440 WeakPolarHBondContact O-CA 3.39Å; C376-L441 HydrophobicContact CB-CB 4.39Å; C376-L441 PolarHBondContact N-O 2.03Å; C376-L441 PolarHBondContact O-N 3.09Å |
| 377 | R | 91.1 | Very high | 78 | Confident | 128 Ų | 128 | 61.7 Ų | 61.7 | 48% | 0.483 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 110.9 | -175 | -71.4 | 175.5 | 170.6 | 125.5 | 6.7 | 110.2 | G350 G351 Y438 V439 E440 | G350-R377 CarbonylContact C-O 3.48Å; G350-R377 WeakPolarHBondContact CA-O 3.43Å; G351-R377 PolarHBondContact N-O 3.36Å; R377-Y438 VanDerWaalsContact CD-OH 3.32Å; R377-Y438 WeakPolarHBondContact CD-OH 3.3Å; R377-Y438 PolarHBondContact NE-OH 3.11Å; R377-V439 WeakPolarHBondContact CA-O 3.37Å; R377-E440 HydrophobicContact CG-CG 4.21Å; R377-E440 IonicContact CZ-OE1 3.59Å; R377-E440 IonicContact NE-OE1 2.68Å; R377-E440 PolarHBondContact NE-OE1 3.03Å; R377-E440 IonicContact NH2-OE1 3.6Å; R377-E440 PolarHBondContact NH2-OE1 2.93Å |
| 378 | W | 92.9 | Very high | 79.8 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 2% | 0.023 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135 | 178.9 | -57.2 | -91.8 | 0 | 0 | 0 | 110.5 | S348 G350 G351 I361 V362 C376 V439 L441 L452 | S348-W378 PolarHBondContact O-NE1 3.05Å; G350-W378 VanDerWaalsContact CA-CD1 3.48Å; G350-W378 VanDerWaalsContact N-CE2 3.35Å; G350-W378 VanDerWaalsContact N-NE1 3.12Å; G351-W378 CarbonylContact O-C 3.44Å; G351-W378 VanDerWaalsContact O-CA 3.31Å; G351-W378 WeakPolarHBondContact O-CA 3.38Å; I361-W378 HydrophobicContact CD1-CB 3.76Å; I361-W378 HydrophobicContact CD1-CG 4Å; I361-W378 HydrophobicContact CG1-CB 4.49Å; I361-W378 HydrophobicContact CG1-CG 4.23Å; I361-W378 HydrophobicContact CG2-CD2 3.45Å; I361-W378 VanDerWaalsContact CG2-CD2 3.45Å; I361-W378 HydrophobicContact CG2-CE3 3.86Å; I361-W378 HydrophobicContact CG2-CG 3.82Å; I361-W378 HydrophobicContact CG2-CH2 4.04Å; I361-W378 HydrophobicContact CG2-CZ2 3.69Å; I361-W378 HydrophobicContact CG2-CZ3 4.13Å; V362-W378 WeakPolarHBondContact O-CZ2 3.41Å; C376-W378 HydrophobicContact CB-CD2 4.49Å; C376-W378 HydrophobicContact CB-CE3 4.14Å; C376-W378 HydrophobicContact CB-CH2 3.21Å; C376-W378 HydrophobicContact CB-CZ2 3.57Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; W378-V439 HydrophobicContact CB-CB 4.48Å; W378-V439 HydrophobicContact CE3-CB 4.36Å; W378-V439 HydrophobicContact CE3-CG1 4.09Å; W378-V439 HydrophobicContact CZ3-CG1 4.49Å; W378-V439 PolarHBondContact N-O 3.41Å; W378-V439 PolarHBondContact O-N 2.79Å; W378-L441 HydrophobicContact CH2-CB 4.35Å; W378-L441 HydrophobicContact CH2-CD2 4.29Å; W378-L441 HydrophobicContact CZ3-CB 3.88Å; W378-L452 HydrophobicContact CH2-CD2 4.36Å; W378-L452 HydrophobicContact CZ3-CD2 4.22Å |
| 379 | V | 93.7 | Very high | 81.6 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | G351 T352 I353 E381 L437 Y438 | G351-V379 PolarHBondContact O-N 3.07Å; T352-V379 CarbonylContact C-O 3.59Å; T352-V379 WeakPolarHBondContact CA-O 3.42Å; T352-V379 HydrophobicContact CG2-CB 4.09Å; T352-V379 HydrophobicContact CG2-CG1 4.32Å; I353-V379 PolarHBondContact N-O 3.22Å; V379-E381 HydrophobicContact CG1-CG 4.16Å; V379-L437 WeakPolarHBondContact CA-O 3.35Å; V379-Y438 HydrophobicContact CG2-CD2 3.83Å; V379-Y438 HydrophobicContact CG2-CE2 4.36Å |
| 380 | I | 94.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.6 | 179.4 | -43.6 | 173.9 | 0 | 0 | 0 | 107 | A356 I361 L388 L390 S436 L437 F456 | A356-I380 HydrophobicContact CB-CG2 3.52Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.87Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.82Å; I380-L388 HydrophobicContact CG2-CG 4.45Å; I380-L390 HydrophobicContact CD1-CD2 4.06Å; I380-S436 CarbonylContact O-C 3.53Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.06Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.42Å; I380-L437 PolarHBondContact N-O 2.88Å; I380-L437 PolarHBondContact O-N 3.48Å; I380-F456 HydrophobicContact CD1-CB 4.01Å; I380-F456 HydrophobicContact CD1-CD1 4.13Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.97Å; I380-F456 HydrophobicContact CG2-CE2 4.25Å; I380-F456 HydrophobicContact CG2-CG 4.29Å |
| 381 | E | 93.6 | Very high | 85.4 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 114.3 | 177.7 | -58.4 | -173.3 | 146.2 | 0 | 0 | 109.7 | I353 H354 N355 A356 V379 | I353-E381 PolarHBondContact O-N 2.99Å; H354-E381 CarbonylContact C-O 3.57Å; H354-E381 IonicContact CE1-OE2 3.79Å; H354-E381 PolarHBondContact CE1-OE2 2.87Å; H354-E381 IonicContact CG-OE2 3.4Å; H354-E381 IonicContact ND1-OE2 3.14Å; H354-E381 PolarHBondContact ND1-OE2 2.98Å; N355-E381 CarbonylContact C-O 3.58Å; N355-E381 WeakPolarHBondContact CA-O 3.01Å; N355-E381 PolarHBondContact N-O 3.31Å; A356-E381 PolarHBondContact N-O 2.8Å; V379-E381 HydrophobicContact CG1-CG 4.16Å |
| 382 | A | 93.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 169.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R386 L388 Q435 A458 | A382-R386 HydrophobicContact CB-CB 3.99Å; A382-L388 HydrophobicContact CB-CD2 4.09Å; A382-L388 HydrophobicContact CB-CG 4.09Å; A382-Q435 PolarHBondContact N-O 3.5Å; A382-A458 HydrophobicContact CB-CB 3.81Å |
| 383 | A | 90.8 | Very high | 87.8 | Confident | 40 Ų | 40 | 44 Ų | 44 | 33% | 0.331 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 157.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G385 R386 | A383-G385 PolarHBondContact O-N 2.86Å; A383-R386 WeakPolarHBondContact O-CB 3.33Å; A383-R386 PolarHBondContact O-N 2.9Å |
| 384 | E | 87.2 | Confident | 88 | Confident | 175 Ų | 175 | 43.5 Ų | 43.5 | 82% | 0.818 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 136.9 | 178.9 | -62 | -174.4 | 160.4 | 0 | 0 | 111.8 | ||
| 385 | G | 84.4 | Confident | 88.2 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 13.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A383 | A383-G385 PolarHBondContact O-N 2.86Š|
| 386 | R | 89.7 | Confident | 87.8 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 29% | 0.291 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.5 | 175.8 | -65.5 | -173.1 | 171.3 | -143.4 | -3.6 | 112.7 | A382 A383 Q435 A458 F459 E460 | A382-R386 HydrophobicContact CB-CB 3.99Å; A383-R386 WeakPolarHBondContact O-CB 3.33Å; A383-R386 PolarHBondContact O-N 2.9Å; R386-Q435 WeakPolarHBondContact O-CA 2.96Å; R386-A458 PolarHBondContact NH1-O 2.81Å; R386-F459 CarbonylContact C-O 3.51Å; R386-F459 WeakPolarHBondContact CA-O 3.21Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 2.97Å; R386-E460 HydrophobicContact CG-CG 4.03Å; R386-E460 IonicContact CZ-OE1 2.67Å; R386-E460 IonicContact NE-OE1 2.73Å; R386-E460 IonicContact NH2-OE1 3.06Å; R386-E460 PolarHBondContact NH2-OE1 2.91Å |
| 387 | R | 89.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 25% | 0.253 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 161.2 | 168.7 | -66.5 | -178.8 | -170.2 | -174.8 | 7.4 | 109.8 | S432 A458 F459 E461 | R387-S432 WeakPolarHBondContact CD-O 3.44Å; R387-S432 WeakPolarHBondContact CG-O 3.26Å; R387-A458 CarbonylContact O-C 3.57Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.4Å; R387-F459 HydrophobicContact CB-CD1 4.46Å; R387-F459 HydrophobicContact CB-CE1 3.88Å; R387-F459 HydrophobicContact CB-CE2 4.48Å; R387-F459 HydrophobicContact CB-CZ 3.9Å; R387-F459 PolarHBondContact N-O 3.02Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 2.67Å; R387-E461 HydrophobicContact CG-CG 4.19Å; R387-E461 IonicContact CZ-OE1 3.18Å; R387-E461 IonicContact NE-OE1 3.91Å; R387-E461 PolarHBondContact NE-OE1 2.77Å; R387-E461 IonicContact NH2-OE1 2.74Å; R387-E461 PolarHBondContact NH2-OE1 2.86Å |
| 388 | L | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.7 | 176.3 | -70.5 | 161.8 | 0 | 0 | 0 | 109.8 | A356 I380 A382 I431 S432 L437 E457 A458 | A356-L388 HydrophobicContact CB-CD2 4.12Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.82Å; I380-L388 HydrophobicContact CG2-CG 4.45Å; A382-L388 HydrophobicContact CB-CD2 4.09Å; A382-L388 HydrophobicContact CB-CG 4.09Å; L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.3Å; L388-S432 PolarHBondContact N-OG 2.84Å; L388-S432 PolarHBondContact O-N 3.07Å; L388-S432 PolarHBondContact O-OG 3.44Å; L388-L437 HydrophobicContact CB-CD1 3.5Å; L388-L437 VanDerWaalsContact CB-CD1 3.5Å; L388-L437 HydrophobicContact CB-CG 4.13Å; L388-L437 HydrophobicContact CD1-CB 4.16Å; L388-L437 HydrophobicContact CD1-CD1 4.03Å; L388-L437 HydrophobicContact CD1-CG 3.97Å; L388-L437 HydrophobicContact CG-CD1 4.4Å; L388-E457 CarbonylContact C-O 3.6Å; L388-E457 WeakPolarHBondContact CA-O 3.4Å; L388-A458 HydrophobicContact CD2-CB 3.8Å |
| 389 | H | 90.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.2 | 162.4 | -178.6 | -117.9 | 0 | 0 | 0 | 109.2 | R428 L430 F456 E457 F459 F465 | H389-R428 PolarHBondContact NE2-O 2.78Å; H389-L430 CarbonylContact C-O 3.46Å; H389-L430 WeakPolarHBondContact CA-O 3.32Å; H389-L430 PolarHBondContact CD2-O 3.33Å; H389-L430 VanDerWaalsContact CD2-O 3.29Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.33Å; H389-E457 PolarHBondContact N-O 3.07Å; H389-E457 PolarHBondContact O-N 3.48Å; H389-F459 HydrophobicContact CB-CD1 4.27Å; H389-F459 HydrophobicContact CB-CE1 3.97Å; H389-F465 HydrophobicContact CB-CB 4.14Å; H389-F465 HydrophobicContact CB-CD1 4.39Å; H389-F465 HydrophobicContact CB-CD2 4.49Å; H389-F465 HydrophobicContact CB-CG 4.1Å; H389-F465 AromaticContact CD2-CD1 3.98Å; H389-F465 AromaticContact CD2-CE1 3.81Å; H389-F465 AromaticContact CD2-CZ 3.85Å; H389-F465 AromaticContact CE1-CD2 3.66Å; H389-F465 AromaticContact CE1-CE2 3.28Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.08Å; H389-F465 AromaticContact CE1-CZ 3.66Å; H389-F465 AromaticContact CG-CD2 3.89Å; H389-F465 AromaticContact CG-CG 3.88Å; H389-F465 AromaticContact ND1-CD2 3.56Å; H389-F465 AromaticContact ND1-CE2 3.71Å; H389-F465 AromaticContact NE2-CE1 3.84Å; H389-F465 AromaticContact NE2-CE2 3.55Å; H389-F465 AromaticContact NE2-CZ 3.39Å; H389-F465 WeakPolarHBondContact NE2-CZ 3.5Å |
| 390 | L | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119 | 169.2 | -84.7 | 174.4 | 0 | 0 | 0 | 109 | I380 V406 G429 L430 L437 V439 L454 R455 F456 | I380-L390 HydrophobicContact CD1-CD2 4.06Å; L390-V406 HydrophobicContact CD1-CG1 3.73Å; L390-V406 HydrophobicContact CD1-CG2 4.43Å; L390-G429 CarbonylContact O-C 3.53Å; L390-G429 WeakPolarHBondContact O-CA 3.36Å; L390-L430 HydrophobicContact CB-CB 4.35Å; L390-L430 PolarHBondContact N-O 3.44Å; L390-L430 PolarHBondContact O-N 3.17Å; L390-L437 HydrophobicContact CD1-CD1 3.66Å; L390-L437 HydrophobicContact CG-CD1 3.73Å; L390-V439 HydrophobicContact CD1-CG2 4.02Å; L390-L454 HydrophobicContact CD2-CB 4.19Å; L390-R455 WeakPolarHBondContact CA-O 3.39Å; L390-F456 HydrophobicContact CD2-CB 3.84Å |
| 391 | H | 87.4 | Confident | 83.9 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.5 | 175.2 | 178.9 | 88 | 0 | 0 | 0 | 110.3 | E393 R455 F468 | H391-E393 PolarHBondContact O-N 3.06Å; H391-R455 HydrophobicContact CB-CB 4.3Å; H391-R455 PolarHBondContact N-O 2.91Å; H391-R455 PolarHBondContact O-N 2.91Å; H391-F468 AromaticContact CD2-CD1 3.74Å; H391-F468 AromaticContact NE2-CD1 3.58Å |
| 392 | F | 84.9 | Confident | 83.4 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 10% | 0.101 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 90.5 | -176.6 | -64.4 | -89 | 0 | 0 | 0 | 110.7 | V395 L404 Y418 V425 P426 L430 L454 | F392-V395 HydrophobicContact CB-CG2 3.96Å; F392-V395 HydrophobicContact CD1-CG2 3.6Å; F392-V395 HydrophobicContact CG-CG2 4.21Å; F392-L404 HydrophobicContact CE1-CD2 4.07Å; F392-Y418 HydrophobicContact CE1-CE1 4.47Å; F392-Y418 HydrophobicContact CZ-CD1 4.31Å; F392-Y418 HydrophobicContact CZ-CE1 4.42Å; F392-V425 HydrophobicContact CB-CG1 3.75Å; F392-V425 HydrophobicContact CD1-CG1 3.86Å; F392-V425 HydrophobicContact CD2-CG1 3.91Å; F392-V425 HydrophobicContact CE1-CG1 4.41Å; F392-V425 HydrophobicContact CE2-CG1 4.46Å; F392-V425 HydrophobicContact CG-CG1 3.59Å; F392-P426 HydrophobicContact CE2-CG 4.28Å; F392-L430 HydrophobicContact CE2-CD1 3.97Å; F392-L430 HydrophobicContact CE2-CG 3.99Å; F392-L430 HydrophobicContact CZ-CD1 3.68Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; F392-L454 HydrophobicContact CB-CD2 4.46Å; F392-L454 HydrophobicContact CD1-CD2 3.22Å; F392-L454 HydrophobicContact CE1-CD2 3.66Å; F392-L454 HydrophobicContact CG-CD2 4.02Å |
| 393 | E | 78.6 | Confident | 83.1 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -38.6 | 179.3 | -71.1 | -167.1 | -143.5 | 0 | 0 | 112.8 | R360 H391 S453 R455 F468 | R360-E393 IonicContact CZ-OE1 2.75Å; R360-E393 VanDerWaalsContact CZ-OE1 3.32Å; R360-E393 IonicContact CZ-OE2 2.75Å; R360-E393 IonicContact NH1-OE1 2.72Å; R360-E393 PolarHBondContact NH1-OE1 3.3Å; R360-E393 IonicContact NH1-OE2 2.81Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 IonicContact NH2-OE1 2.6Å; R360-E393 PolarHBondContact NH2-OE1 3.04Å; R360-E393 IonicContact NH2-OE2 2.84Å; R360-E393 PolarHBondContact NH2-OE2 3.37Å; H391-E393 PolarHBondContact O-N 3.06Å; E393-S453 PolarHBondContact N-O 3.17Å; E393-S453 VanDerWaalsContact N-O 3.08Å; E393-R455 HydrophobicContact CG-CB 4.26Å; E393-R455 WeakPolarHBondContact OE1-CB 3.44Å; E393-F468 VanDerWaalsContact CD-CE1 3.47Å; E393-F468 HydrophobicContact CG-CD1 4.34Å; E393-F468 HydrophobicContact CG-CE1 3.74Å; E393-F468 HydrophobicContact CG-CZ 4.42Å |
| 394 | R | 76.3 | Confident | 83 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 126.5 | 177.9 | -55 | 175.6 | 68.7 | 101.9 | 3.4 | 108.8 | L451 L452 S453 | R394-L451 CarbonylContact C-O 3.59Å; R394-L451 VanDerWaalsContact NE-CD2 3.28Å; R394-L452 CarbonylContact O-C 3.54Å; R394-S453 PolarHBondContact N-O 2.81Å; R394-S453 PolarHBondContact O-N 2.96Å |
| 395 | V | 78.7 | Confident | 83.2 | Confident | 47 Ų | 47 | 50.1 Ų | 50.1 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | trans | -135.4 | 121.1 | 171.5 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | F392 L397 V425 L451 L452 | F392-V395 HydrophobicContact CB-CG2 3.96Å; F392-V395 HydrophobicContact CD1-CG2 3.6Å; F392-V395 HydrophobicContact CG-CG2 4.21Å; V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.78Å; V395-V425 HydrophobicContact CB-CG2 4.21Å; V395-V425 HydrophobicContact CG1-CG2 3.97Å; V395-V425 HydrophobicContact CG2-CG1 4.09Å; V395-V425 HydrophobicContact CG2-CG2 4.35Å; V395-L451 CarbonylContact C-O 3.59Å; V395-L451 WeakPolarHBondContact CA-O 3.33Å; V395-L452 HydrophobicContact CG2-CD1 4.3Å | ||
| 396 | S | 76.1 | Confident | 83.6 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | trans | -138.1 | 103.8 | 168.3 | -176.2 | 0 | 0 | 0 | 0 | 106.5 | L451 | S396-L451 PolarHBondContact N-O 3.29Å; S396-L451 PolarHBondContact O-N 2.64Å; S396-L451 VanDerWaalsContact O-N 3.13Å | ||
| 397 | L | 76.6 | Confident | 83.8 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | trans | -121.4 | 144.8 | 179.8 | -59.2 | 174.4 | 0 | 0 | 0 | 107.8 | V395 D402 L404 L441 L450 | V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.78Å; L397-D402 HydrophobicContact CB-CB 3.96Å; L397-D402 HydrophobicContact CD2-CB 4.12Å; L397-L404 HydrophobicContact CD1-CB 3.75Å; L397-L404 HydrophobicContact CD1-CD2 4.44Å; L397-L441 HydrophobicContact CD2-CD1 3.76Å; L397-L450 HydrophobicContact CD2-CD1 4.42Å; L397-L450 HydrophobicContact CD2-CD2 3.89Å; L397-L450 HydrophobicContact CD2-CG 4.06Å | ||
| 398 | D | 75.8 | Confident | 83.9 | Confident | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | trans | -80.7 | 113.4 | 170.2 | -168.9 | -57 | 0 | 0 | 0 | 110.4 | D400 N401 D402 N448 | D398-D400 PolarHBondContact O-N 2.91Å; D398-D400 PolarHBondContact OD1-N 3.23Å; D398-N401 HydrophobicContact CB-CB 4.09Å; D398-N401 PolarHBondContact O-N 3.12Å; D398-N401 PolarHBondContact OD1-N 3.43Å; D398-N401 PolarHBondContact OD1-ND2 2.98Å; D398-D402 HydrophobicContact CB-CB 4.33Å; D398-D402 WeakPolarHBondContact CB-OD2 3.46Å; D398-D402 PolarHBondContact N-OD2 3.41Å; D398-D402 PolarHBondContact O-N 2.81Å; D398-N448 PolarHBondContact OD2-ND2 3.08Å; D398-N448 VanDerWaalsContact OD2-ND2 3.12Å | ||
| 399 | E | 73.6 | Confident | 83.9 | Confident | 201 Ų | 201 | 42.9 Ų | 42.9 | 94% | 0.939 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.1 | -175.2 | -65.2 | 175.5 | -171.5 | 0 | 0 | 114.4 | ||
| 400 | D | 74.9 | Confident | 83.7 | Confident | 155 Ų | 155 | 44.2 Ų | 44.2 | 83% | 0.829 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -17.1 | 179.3 | -83.7 | -43.2 | 0 | 0 | 0 | 113.2 | D398 | D398-D400 PolarHBondContact O-N 2.91Å; D398-D400 PolarHBondContact OD1-N 3.23Å |
| 401 | N | 76.4 | Confident | 83.6 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -15.5 | -164.3 | -60.7 | -86.5 | 0 | 0 | 0 | 116.3 | D398 E444 | D398-N401 HydrophobicContact CB-CB 4.09Å; D398-N401 PolarHBondContact O-N 3.12Å; D398-N401 PolarHBondContact OD1-N 3.43Å; D398-N401 PolarHBondContact OD1-ND2 2.98Å; N401-E444 PolarHBondContact O-N 3.16Å; N401-E444 VanDerWaalsContact O-N 3.13Å |
| 402 | D | 83.4 | Confident | 83.6 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.5 | -177.2 | -63.4 | -25.4 | 0 | 0 | 0 | 111.3 | L397 D398 L442 S443 L450 | L397-D402 HydrophobicContact CB-CB 3.96Å; L397-D402 HydrophobicContact CD2-CB 4.12Å; D398-D402 HydrophobicContact CB-CB 4.33Å; D398-D402 WeakPolarHBondContact CB-OD2 3.46Å; D398-D402 PolarHBondContact N-OD2 3.41Å; D398-D402 PolarHBondContact O-N 2.81Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.44Å; D402-S443 WeakPolarHBondContact OD1-CA 3.42Å; D402-S443 WeakPolarHBondContact OD1-CB 3.45Å; D402-S443 PolarHBondContact OD1-OG 3.45Å; D402-L450 HydrophobicContact CB-CD1 4.28Å; D402-L450 WeakPolarHBondContact OD2-CD1 3.33Å |
| 403 | R | 87.4 | Confident | 83.8 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.1 | 178.8 | -178.3 | 173.2 | -177 | 165.9 | -4.8 | 113 | M405 D419 S420 D421 L441 L442 | R403-M405 HydrophobicContact CG-CE 4.12Å; R403-M405 HydrophobicContact CG-CG 4.33Å; R403-D419 IonicContact CZ-OD1 3.62Å; R403-D419 VanDerWaalsContact CZ-OD1 3.24Å; R403-D419 IonicContact CZ-OD2 3.98Å; R403-D419 IonicContact NE-OD1 3.79Å; R403-D419 PolarHBondContact NE-OD1 2.73Å; R403-D419 IonicContact NE-OD2 2.81Å; R403-D419 IonicContact NH2-OD1 3.11Å; R403-D419 PolarHBondContact NH2-OD1 3.34Å; R403-D419 IonicContact NH2-OD2 3.26Å; R403-D419 PolarHBondContact NH2-OD2 3.49Å; R403-S420 WeakPolarHBondContact CA-OG 3.45Å; R403-D421 WeakPolarHBondContact CD-OD1 3.44Å; R403-D421 WeakPolarHBondContact CD-OD2 3.37Å; R403-D421 WeakPolarHBondContact CG-OD1 3.24Å; R403-D421 IonicContact CZ-OD1 2.7Å; R403-D421 IonicContact CZ-OD2 2.75Å; R403-D421 IonicContact NE-OD1 3.35Å; R403-D421 PolarHBondContact NE-OD1 2.77Å; R403-D421 IonicContact NE-OD2 3.9Å; R403-D421 PolarHBondContact NE-OD2 3.25Å; R403-D421 IonicContact NH1-OD2 3.63Å; R403-D421 PolarHBondContact NH1-OD2 3.36Å; R403-D421 IonicContact NH2-OD2 3.5Å; R403-L441 WeakPolarHBondContact O-CA 3.4Å; R403-L442 PolarHBondContact N-O 2.86Å; R403-L442 PolarHBondContact O-N 3.46Å |
| 404 | L | 89.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.6 | 175.2 | 179.1 | 62.9 | 0 | 0 | 0 | 110.4 | F392 L397 Y418 S420 V439 L441 L452 | F392-L404 HydrophobicContact CE1-CD2 4.07Å; L397-L404 HydrophobicContact CD1-CB 3.75Å; L397-L404 HydrophobicContact CD1-CD2 4.44Å; L404-Y418 HydrophobicContact CD2-CE1 4.23Å; L404-Y418 HydrophobicContact CG-CE1 4.36Å; L404-S420 PolarHBondContact N-OG 2.85Å; L404-S420 PolarHBondContact O-N 2.87Å; L404-V439 HydrophobicContact CD1-CG1 3.84Å; L404-L441 HydrophobicContact CB-CD1 4.46Å; L404-L441 HydrophobicContact CD1-CB 4.41Å; L404-L452 HydrophobicContact CD1-CD2 3.88Å; L404-L452 HydrophobicContact CD2-CD1 3.67Å; L404-L452 HydrophobicContact CD2-CD2 4.45Å |
| 405 | M | 91 | Very high | 85.1 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.7 | 175.5 | -75.2 | 173.6 | -83.9 | 0 | 0 | 110.8 | R403 R407 D419 E440 L442 | R403-M405 HydrophobicContact CG-CE 4.12Å; R403-M405 HydrophobicContact CG-CG 4.33Å; M405-R407 PolarHBondContact SD-NH2 2.03Å; M405-D419 WeakPolarHBondContact CG-OD1 3.34Å; M405-E440 PolarHBondContact N-O 3.29Å; M405-E440 PolarHBondContact O-N 2.77Å; M405-L442 HydrophobicContact CE-CD1 3.72Å; M405-L442 HydrophobicContact CE-CG 4.43Å |
| 406 | V | 93.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.6 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | L390 I417 Y418 L430 L437 V439 | L390-V406 HydrophobicContact CD1-CG1 3.73Å; L390-V406 HydrophobicContact CD1-CG2 4.43Å; V406-I417 HydrophobicContact CB-CG1 4.19Å; V406-I417 HydrophobicContact CG1-CD1 3.92Å; V406-I417 HydrophobicContact CG1-CG1 3.85Å; V406-I417 PolarHBondContact O-N 3.24Å; V406-Y418 HydrophobicContact CG2-CD1 4.23Å; V406-Y418 PolarHBondContact N-O 2.8Å; V406-Y418 PolarHBondContact O-N 3.22Å; V406-L430 HydrophobicContact CB-CD1 4.02Å; V406-L430 HydrophobicContact CG1-CD1 4.07Å; V406-L430 HydrophobicContact CG2-CD1 4.04Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; V406-V439 HydrophobicContact CG1-CG2 4.34Å; V406-V439 HydrophobicContact CG2-CG1 4.45Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å |
| 407 | R | 93.4 | Very high | 86.4 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.8 | -177.1 | -62.2 | 176.5 | 178.8 | 98.6 | 4.1 | 112.2 | M405 G409 S414 P415 V416 L437 Y438 E440 | M405-R407 PolarHBondContact SD-NH2 2.03Å; R407-G409 PolarHBondContact O-N 2.93Å; R407-S414 WeakPolarHBondContact CD-O 3.42Å; R407-P415 CarbonylContact C-O 3.59Å; R407-P415 WeakPolarHBondContact CA-O 3.48Å; R407-P415 WeakPolarHBondContact CB-O 3.36Å; R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; R407-L437 WeakPolarHBondContact O-CA 3.5Å; R407-L437 WeakPolarHBondContact O-CD2 3.41Å; R407-Y438 PolarHBondContact N-O 3.34Å; R407-Y438 PolarHBondContact O-N 3.44Å; R407-E440 IonicContact CZ-OE2 2.87Å; R407-E440 IonicContact NH1-OE2 2.78Å; R407-E440 PolarHBondContact NH1-OE2 2.99Å; R407-E440 IonicContact NH2-OE2 3.41Å |
| 408 | S | 92.5 | Very high | 87.1 | Confident | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 99.5 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | S414 P415 D433 | S408-S414 WeakPolarHBondContact O-CB 3.43Å; S408-P415 PolarHBondContact N-O 2.84Å; S408-P415 WeakPolarHBondContact O-CD 3.06Å; S408-D433 WeakPolarHBondContact CB-OD2 3.03Å; S408-D433 PolarHBondContact OG-N 3.14Å; S408-D433 VanDerWaalsContact OG-N 3.08Å; S408-D433 PolarHBondContact OG-OD2 3.39Å |
| 409 | G | 90.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 114.4 | 141.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R407 S411 S414 S436 Y438 | R407-G409 PolarHBondContact O-N 2.93Å; G409-S411 PolarHBondContact O-N 2.85Å; G409-S414 VanDerWaalsContact C-OG 3.32Å; G409-S414 VanDerWaalsContact O-CB 3.28Å; G409-S414 WeakPolarHBondContact O-CB 3.24Å; G409-S414 PolarHBondContact O-OG 3.24Å; G409-S436 WeakPolarHBondContact CA-O 3.33Å; G409-S436 WeakPolarHBondContact CA-OG 3.43Å; G409-S436 PolarHBondContact N-O 3.42Å; G409-Y438 WeakPolarHBondContact O-CB 3.36Å |
| 410 | G | 88.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.1 | 34.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | S436 | G410-S436 PolarHBondContact N-OG 3.12Š|
| 411 | S | 88.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -136.5 | 152.2 | 179.3 | 92.3 | 0 | 0 | 0 | 0 | 112.7 | G409 L413 S414 | G409-S411 PolarHBondContact O-N 2.85Å; S411-L413 PolarHBondContact O-N 3.22Å; S411-L413 PolarHBondContact OG-N 2.8Å; S411-S414 PolarHBondContact N-OG 2.97Å; S411-S414 WeakPolarHBondContact O-CB 3.41Å; S411-S414 PolarHBondContact O-N 3.26Å; S411-S414 VanDerWaalsContact O-N 3.16Å; S411-S414 PolarHBondContact O-OG 2.96Å; S411-S414 PolarHBondContact OG-N 3.08Å; S411-S414 VanDerWaalsContact OG-N 3.15Å; S411-S414 PolarHBondContact OG-OG 2.82Å |
| 412 | P | 86.8 | Confident | 89.2 | Confident | 74 Ų | 74 | 46 Ų | 46 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.1 | 174.4 | 29.2 | -35.9 | 0 | 0 | 0 | 113.8 | Y438 | P412-Y438 HydrophobicContact CB-CE1 4.11Å; P412-Y438 HydrophobicContact CB-CE2 4.21Å |
| 413 | L | 88.8 | Confident | 89 | Confident | 168 Ų | 168 | 50 Ų | 50 | 88% | 0.88 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -1 | 175.9 | -63.1 | 176.2 | 0 | 0 | 0 | 112.9 | S411 | S411-L413 PolarHBondContact O-N 3.22Å; S411-L413 PolarHBondContact OG-N 2.8Å |
| 414 | S | 91.6 | Very high | 88.6 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -69.8 | 153.7 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | R407 S408 G409 S411 V416 | R407-S414 WeakPolarHBondContact CD-O 3.42Å; S408-S414 WeakPolarHBondContact O-CB 3.43Å; G409-S414 VanDerWaalsContact C-OG 3.32Å; G409-S414 VanDerWaalsContact O-CB 3.28Å; G409-S414 WeakPolarHBondContact O-CB 3.24Å; G409-S414 PolarHBondContact O-OG 3.24Å; S411-S414 PolarHBondContact N-OG 2.97Å; S411-S414 WeakPolarHBondContact O-CB 3.41Å; S411-S414 PolarHBondContact O-N 3.26Å; S411-S414 VanDerWaalsContact O-N 3.16Å; S411-S414 PolarHBondContact O-OG 2.96Å; S411-S414 PolarHBondContact OG-N 3.08Å; S411-S414 VanDerWaalsContact OG-N 3.15Å; S411-S414 PolarHBondContact OG-OG 2.82Å; S414-V416 PolarHBondContact O-N 2.98Å |
| 415 | P | 91.8 | Very high | 88.1 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 134.9 | 178.7 | 23 | -33.7 | 0 | 0 | 0 | 111.9 | R407 S408 | R407-P415 CarbonylContact C-O 3.59Å; R407-P415 WeakPolarHBondContact CA-O 3.48Å; R407-P415 WeakPolarHBondContact CB-O 3.36Å; S408-P415 PolarHBondContact N-O 2.84Å; S408-P415 WeakPolarHBondContact O-CD 3.06Å |
| 416 | V | 90.5 | Very high | 87.5 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 133.4 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109 | R407 S414 Y418 D419 | R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; S414-V416 PolarHBondContact O-N 2.98Å; V416-Y418 WeakPolarHBondContact CG1-O 3.22Å; V416-D419 HydrophobicContact CG1-CB 4.08Å |
| 417 | I | 90.7 | Very high | 86.2 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -10.9 | 174.3 | 60.3 | 171.5 | 0 | 0 | 0 | 112.9 | V406 L430 L437 | V406-I417 HydrophobicContact CB-CG1 4.19Å; V406-I417 HydrophobicContact CG1-CD1 3.92Å; V406-I417 HydrophobicContact CG1-CG1 3.85Å; V406-I417 PolarHBondContact O-N 3.24Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; I417-L437 HydrophobicContact CD1-CD2 3.81Å |
| 418 | Y | 91.3 | Very high | 85 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 142.7 | 171.4 | 174.8 | -102.5 | 0 | 0 | 0 | 110.9 | F392 L404 V406 V416 D423 D424 P426 L430 | F392-Y418 HydrophobicContact CE1-CE1 4.47Å; F392-Y418 HydrophobicContact CZ-CD1 4.31Å; F392-Y418 HydrophobicContact CZ-CE1 4.42Å; L404-Y418 HydrophobicContact CD2-CE1 4.23Å; L404-Y418 HydrophobicContact CG-CE1 4.36Å; V406-Y418 HydrophobicContact CG2-CD1 4.23Å; V406-Y418 PolarHBondContact N-O 2.8Å; V406-Y418 PolarHBondContact O-N 3.22Å; V416-Y418 WeakPolarHBondContact CG1-O 3.22Å; Y418-D423 HydrophobicContact CD2-CB 4.06Å; Y418-D423 HydrophobicContact CE2-CB 3.96Å; Y418-D423 VanDerWaalsContact CE2-O 3.28Å; Y418-D423 WeakPolarHBondContact CE2-O 3.27Å; Y418-D423 PolarHBondContact OH-O 2.95Å; Y418-D424 WeakPolarHBondContact CE2-O 3.11Å; Y418-P426 HydrophobicContact CD2-CG 3.99Å; Y418-P426 HydrophobicContact CE2-CG 4.22Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CD1-CD1 4.48Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å |
| 419 | D | 90.1 | Very high | 84.4 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 112.6 | -178.8 | -161.8 | -3.8 | 0 | 0 | 0 | 109.2 | R403 M405 V416 D421 M422 D423 | R403-D419 IonicContact CZ-OD1 3.62Å; R403-D419 VanDerWaalsContact CZ-OD1 3.24Å; R403-D419 IonicContact CZ-OD2 3.98Å; R403-D419 IonicContact NE-OD1 3.79Å; R403-D419 PolarHBondContact NE-OD1 2.73Å; R403-D419 IonicContact NE-OD2 2.81Å; R403-D419 IonicContact NH2-OD1 3.11Å; R403-D419 PolarHBondContact NH2-OD1 3.34Å; R403-D419 IonicContact NH2-OD2 3.26Å; R403-D419 PolarHBondContact NH2-OD2 3.49Å; M405-D419 WeakPolarHBondContact CG-OD1 3.34Å; V416-D419 HydrophobicContact CG1-CB 4.08Å; D419-D421 PolarHBondContact O-N 3.22Å; D419-D421 VanDerWaalsContact O-N 3.08Å; D419-M422 HydrophobicContact CB-CB 4.43Å; D419-M422 HydrophobicContact CB-CG 4.23Å; D419-M422 PolarHBondContact O-N 2.67Å; D419-D423 PolarHBondContact O-N 2.75Å; D419-D423 VanDerWaalsContact O-N 3.08Å |
| 420 | S | 87.3 | Confident | 84.3 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 22% | 0.217 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.4 | -171.6 | 60 | 0 | 0 | 0 | 0 | 115 | R403 L404 M422 | R403-S420 WeakPolarHBondContact CA-OG 3.45Å; L404-S420 PolarHBondContact N-OG 2.85Å; L404-S420 PolarHBondContact O-N 2.87Å; S420-M422 PolarHBondContact O-N 3.45Å |
| 421 | D | 84.2 | Confident | 84.3 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -17.8 | 173.1 | -66.9 | 23.7 | 0 | 0 | 0 | 112.3 | R403 D419 | R403-D421 WeakPolarHBondContact CD-OD1 3.44Å; R403-D421 WeakPolarHBondContact CD-OD2 3.37Å; R403-D421 WeakPolarHBondContact CG-OD1 3.24Å; R403-D421 IonicContact CZ-OD1 2.7Å; R403-D421 IonicContact CZ-OD2 2.75Å; R403-D421 IonicContact NE-OD1 3.35Å; R403-D421 PolarHBondContact NE-OD1 2.77Å; R403-D421 IonicContact NE-OD2 3.9Å; R403-D421 PolarHBondContact NE-OD2 3.25Å; R403-D421 IonicContact NH1-OD2 3.63Å; R403-D421 PolarHBondContact NH1-OD2 3.36Å; R403-D421 IonicContact NH2-OD2 3.5Å; D419-D421 PolarHBondContact O-N 3.22Å; D419-D421 VanDerWaalsContact O-N 3.08Å |
| 422 | M | 82.8 | Confident | 84.4 | Confident | 137 Ų | 137 | 71 Ų | 71 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -36.9 | -166 | -56.4 | -73.5 | 118.5 | 0 | 0 | 113.1 | D419 S420 | D419-M422 HydrophobicContact CB-CB 4.43Å; D419-M422 HydrophobicContact CB-CG 4.23Å; D419-M422 PolarHBondContact O-N 2.67Å; S420-M422 PolarHBondContact O-N 3.45Å |
| 423 | D | 80.4 | Confident | 84.4 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -130 | 138.8 | -170.3 | -60.6 | -66.3 | 0 | 0 | 0 | 111.7 | Y418 D419 | Y418-D423 HydrophobicContact CD2-CB 4.06Å; Y418-D423 HydrophobicContact CE2-CB 3.96Å; Y418-D423 VanDerWaalsContact CE2-O 3.28Å; Y418-D423 WeakPolarHBondContact CE2-O 3.27Å; Y418-D423 PolarHBondContact OH-O 2.95Å; D419-D423 PolarHBondContact O-N 2.75Å; D419-D423 VanDerWaalsContact O-N 3.08Å |
| 424 | D | 78.6 | Confident | 84.1 | Confident | 156 Ų | 156 | 66.8 Ų | 66.8 | 83% | 0.834 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 154.1 | 170.5 | -68.2 | -60.1 | 0 | 0 | 0 | 111.8 | Y418 P426 | Y418-D424 WeakPolarHBondContact CE2-O 3.11Å; D424-P426 VanDerWaalsContact O-CD 3.24Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å |
| 425 | V | 78.5 | Confident | 84.1 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 38% | 0.376 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -58 | 118 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | F392 V395 E427 | F392-V425 HydrophobicContact CB-CG1 3.75Å; F392-V425 HydrophobicContact CD1-CG1 3.86Å; F392-V425 HydrophobicContact CD2-CG1 3.91Å; F392-V425 HydrophobicContact CE1-CG1 4.41Å; F392-V425 HydrophobicContact CE2-CG1 4.46Å; F392-V425 HydrophobicContact CG-CG1 3.59Å; V395-V425 HydrophobicContact CB-CG2 4.21Å; V395-V425 HydrophobicContact CG1-CG2 3.97Å; V395-V425 HydrophobicContact CG2-CG1 4.09Å; V395-V425 HydrophobicContact CG2-CG2 4.35Å; V425-E427 PolarHBondContact O-N 3.02Å |
| 426 | P | 79.3 | Confident | 84.1 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -69 | 121.1 | -174.6 | -23.7 | 34.5 | 0 | 0 | 0 | 114 | F392 Y418 D424 R428 G429 L430 | F392-P426 HydrophobicContact CE2-CG 4.28Å; Y418-P426 HydrophobicContact CD2-CG 3.99Å; Y418-P426 HydrophobicContact CE2-CG 4.22Å; D424-P426 VanDerWaalsContact O-CD 3.24Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å; P426-R428 VanDerWaalsContact C-N 3.25Å; P426-R428 PolarHBondContact O-N 2.99Å; P426-G429 PolarHBondContact O-N 2.94Å; P426-L430 HydrophobicContact CG-CD2 4.12Å; P426-L430 HydrophobicContact CG-CG 4.43Å |
| 427 | E | 65.9 | Low | 84.3 | Confident | 166 Ų | 166 | 63.4 Ų | 63.4 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.8 | 177.3 | -61.8 | -178.8 | 156.2 | 0 | 0 | 113.2 | V425 G429 | V425-E427 PolarHBondContact O-N 3.02Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 3.16Å |
| 428 | R | 67.8 | Low | 84.4 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -1.5 | 178.1 | -69.5 | 179.6 | 179.7 | -138.2 | -7.7 | 113.8 | H389 P426 D518 T519 | H389-R428 PolarHBondContact NE2-O 2.78Å; P426-R428 VanDerWaalsContact C-N 3.25Å; P426-R428 PolarHBondContact O-N 2.99Å; R428-D518 IonicContact NH2-OD1 3.77Å; R428-T519 HydrophobicContact CG-CG2 3.58Å |
| 429 | G | 80.4 | Confident | 84.5 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | 68.1 | -161.8 | -165 | 0 | 0 | 0 | 0 | 0 | 112.9 | L390 P426 E427 | L390-G429 CarbonylContact O-C 3.53Å; L390-G429 WeakPolarHBondContact O-CA 3.36Å; P426-G429 PolarHBondContact O-N 2.94Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 3.16Å | ||
| 430 | L | 87.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.3 | 178.7 | -67.2 | 164.7 | 0 | 0 | 0 | 110.6 | H389 L390 F392 V406 I417 Y418 P426 | H389-L430 CarbonylContact C-O 3.46Å; H389-L430 WeakPolarHBondContact CA-O 3.32Å; H389-L430 PolarHBondContact CD2-O 3.33Å; H389-L430 VanDerWaalsContact CD2-O 3.29Å; L390-L430 HydrophobicContact CB-CB 4.35Å; L390-L430 PolarHBondContact N-O 3.44Å; L390-L430 PolarHBondContact O-N 3.17Å; F392-L430 HydrophobicContact CE2-CD1 3.97Å; F392-L430 HydrophobicContact CE2-CG 3.99Å; F392-L430 HydrophobicContact CZ-CD1 3.68Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; V406-L430 HydrophobicContact CB-CD1 4.02Å; V406-L430 HydrophobicContact CG1-CD1 4.07Å; V406-L430 HydrophobicContact CG2-CD1 4.04Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CD1-CD1 4.48Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å; P426-L430 HydrophobicContact CG-CD2 4.12Å; P426-L430 HydrophobicContact CG-CG 4.43Å |
| 431 | I | 88.6 | Confident | 84.6 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.7 | 173.3 | -61.1 | 171.9 | 0 | 0 | 0 | 108.4 | L388 F459 F465 | L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.3Å; I431-F459 HydrophobicContact CG2-CE1 4.34Å; I431-F459 HydrophobicContact CG2-CZ 3.91Å; I431-F465 HydrophobicContact CD1-CD1 4.35Å; I431-F465 HydrophobicContact CD1-CE1 4.1Å |
| 432 | S | 90.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | trans | -90.4 | 136.2 | 174.6 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | R387 L388 A434 | R387-S432 WeakPolarHBondContact CD-O 3.44Å; R387-S432 WeakPolarHBondContact CG-O 3.26Å; L388-S432 PolarHBondContact N-OG 2.84Å; L388-S432 PolarHBondContact O-N 3.07Å; L388-S432 PolarHBondContact O-OG 3.44Å; S432-A434 VanDerWaalsContact CB-O 3.28Å; S432-A434 WeakPolarHBondContact CB-O 3.31Å; S432-A434 PolarHBondContact OG-O 2.81Å | ||
| 433 | D | 85.9 | Confident | 84.6 | Confident | 120 Ų | 120 | 52 Ų | 52 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -76.5 | -15.3 | 168.9 | -29.4 | -92 | 0 | 0 | 0 | 112.2 | S408 | S408-D433 WeakPolarHBondContact CB-OD2 3.03Å; S408-D433 PolarHBondContact OG-N 3.14Å; S408-D433 VanDerWaalsContact OG-N 3.08Å; S408-D433 PolarHBondContact OG-OD2 3.39Å |
| 434 | A | 83.4 | Confident | 84.4 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -116.3 | 160 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S432 S436 | S432-A434 VanDerWaalsContact CB-O 3.28Å; S432-A434 WeakPolarHBondContact CB-O 3.31Å; S432-A434 PolarHBondContact OG-O 2.81Å; A434-S436 PolarHBondContact O-N 3.47Å |
| 435 | Q | 90.1 | Very high | 83.7 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -65.7 | 7 | 173.6 | 73.7 | -174.7 | 23.8 | 0 | 0 | 114.9 | A382 R386 | A382-Q435 PolarHBondContact N-O 3.5Å; R386-Q435 WeakPolarHBondContact O-CA 2.96Å |
| 436 | S | 92.6 | Very high | 82.6 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.8 | -176.6 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | I380 G409 G410 A434 | I380-S436 CarbonylContact O-C 3.53Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.06Å; G409-S436 WeakPolarHBondContact CA-O 3.33Å; G409-S436 WeakPolarHBondContact CA-OG 3.43Å; G409-S436 PolarHBondContact N-O 3.42Å; G410-S436 PolarHBondContact N-OG 3.12Å; A434-S436 PolarHBondContact O-N 3.47Å |
| 437 | L | 94.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.2 | 177.2 | -76.9 | 170.3 | 0 | 0 | 0 | 109.9 | V379 I380 L388 L390 V406 R407 I417 | V379-L437 WeakPolarHBondContact CA-O 3.35Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.42Å; I380-L437 PolarHBondContact N-O 2.88Å; I380-L437 PolarHBondContact O-N 3.48Å; L388-L437 HydrophobicContact CB-CD1 3.5Å; L388-L437 VanDerWaalsContact CB-CD1 3.5Å; L388-L437 HydrophobicContact CB-CG 4.13Å; L388-L437 HydrophobicContact CD1-CB 4.16Å; L388-L437 HydrophobicContact CD1-CD1 4.03Å; L388-L437 HydrophobicContact CD1-CG 3.97Å; L388-L437 HydrophobicContact CG-CD1 4.4Å; L390-L437 HydrophobicContact CD1-CD1 3.66Å; L390-L437 HydrophobicContact CG-CD1 3.73Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; R407-L437 WeakPolarHBondContact O-CA 3.5Å; R407-L437 WeakPolarHBondContact O-CD2 3.41Å; I417-L437 HydrophobicContact CD1-CD2 3.81Å |
| 438 | Y | 93.5 | Very high | 80.8 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.3 | 171.1 | 177.2 | -79 | 0 | 0 | 0 | 108.5 | R377 V379 R407 G409 P412 E440 | R377-Y438 VanDerWaalsContact CD-OH 3.32Å; R377-Y438 WeakPolarHBondContact CD-OH 3.3Å; R377-Y438 PolarHBondContact NE-OH 3.11Å; V379-Y438 HydrophobicContact CG2-CD2 3.83Å; V379-Y438 HydrophobicContact CG2-CE2 4.36Å; R407-Y438 PolarHBondContact N-O 3.34Å; R407-Y438 PolarHBondContact O-N 3.44Å; G409-Y438 WeakPolarHBondContact O-CB 3.36Å; P412-Y438 HydrophobicContact CB-CE1 4.11Å; P412-Y438 HydrophobicContact CB-CE2 4.21Å; Y438-E440 HydrophobicContact CD1-CB 4.41Å; Y438-E440 HydrophobicContact CE1-CB 3.72Å; Y438-E440 HydrophobicContact CE1-CG 4.43Å; Y438-E440 PolarHBondContact OH-OE1 2.88Å |
| 439 | V | 92.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.4 | -179.6 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | R377 W378 L390 L404 V406 L454 | R377-V439 WeakPolarHBondContact CA-O 3.37Å; W378-V439 HydrophobicContact CB-CB 4.48Å; W378-V439 HydrophobicContact CE3-CB 4.36Å; W378-V439 HydrophobicContact CE3-CG1 4.09Å; W378-V439 HydrophobicContact CZ3-CG1 4.49Å; W378-V439 PolarHBondContact N-O 3.41Å; W378-V439 PolarHBondContact O-N 2.79Å; L390-V439 HydrophobicContact CD1-CG2 4.02Å; L404-V439 HydrophobicContact CD1-CG1 3.84Å; V406-V439 HydrophobicContact CG1-CG2 4.34Å; V406-V439 HydrophobicContact CG2-CG1 4.45Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å; V439-L454 HydrophobicContact CG1-CD1 4.02Å |
| 440 | E | 91.3 | Very high | 79.6 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 119.8 | -177.8 | 179.6 | 164.4 | -131 | 0 | 0 | 110.5 | C376 R377 M405 R407 Y438 L442 | C376-E440 WeakPolarHBondContact O-CA 3.39Å; R377-E440 HydrophobicContact CG-CG 4.21Å; R377-E440 IonicContact CZ-OE1 3.59Å; R377-E440 IonicContact NE-OE1 2.68Å; R377-E440 PolarHBondContact NE-OE1 3.03Å; R377-E440 IonicContact NH2-OE1 3.6Å; R377-E440 PolarHBondContact NH2-OE1 2.93Å; M405-E440 PolarHBondContact N-O 3.29Å; M405-E440 PolarHBondContact O-N 2.77Å; R407-E440 IonicContact CZ-OE2 2.87Å; R407-E440 IonicContact NH1-OE2 2.78Å; R407-E440 PolarHBondContact NH1-OE2 2.99Å; R407-E440 IonicContact NH2-OE2 3.41Å; Y438-E440 HydrophobicContact CD1-CB 4.41Å; Y438-E440 HydrophobicContact CE1-CB 3.72Å; Y438-E440 HydrophobicContact CE1-CG 4.43Å; Y438-E440 PolarHBondContact OH-OE1 2.88Å; E440-L442 HydrophobicContact CG-CD2 4.2Å; E440-L442 HydrophobicContact CG-CG 4.42Å |
| 441 | L | 88.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.5 | 174.9 | 175.9 | 69 | 0 | 0 | 0 | 108.9 | L374 T375 C376 W378 L397 R403 L404 L450 L452 | L374-L441 HydrophobicContact CD2-CD2 4.49Å; T375-L441 CarbonylContact C-O 3.56Å; T375-L441 WeakPolarHBondContact CA-O 3.48Å; C376-L441 HydrophobicContact CB-CB 4.39Å; C376-L441 PolarHBondContact N-O 2.03Å; C376-L441 PolarHBondContact O-N 3.09Å; W378-L441 HydrophobicContact CH2-CB 4.35Å; W378-L441 HydrophobicContact CH2-CD2 4.29Å; W378-L441 HydrophobicContact CZ3-CB 3.88Å; L397-L441 HydrophobicContact CD2-CD1 3.76Å; R403-L441 WeakPolarHBondContact O-CA 3.4Å; L404-L441 HydrophobicContact CB-CD1 4.46Å; L404-L441 HydrophobicContact CD1-CB 4.41Å; L441-L450 HydrophobicContact CD1-CD1 4.24Å; L441-L450 HydrophobicContact CD1-CD2 4.27Å; L441-L450 HydrophobicContact CD2-CD1 4.23Å; L441-L450 HydrophobicContact CD2-CD2 3.8Å; L441-L450 HydrophobicContact CG-CD1 4.5Å; L441-L452 HydrophobicContact CB-CD2 4.36Å; L441-L452 HydrophobicContact CD1-CD2 4.38Å; L441-L452 HydrophobicContact CD2-CD2 3.98Å; L441-L452 HydrophobicContact CG-CD2 4.48Å |
| 442 | L | 86.6 | Confident | 78.5 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.4 | 173.2 | -52.9 | 175.9 | 0 | 0 | 0 | 108.2 | T375 D402 R403 M405 E440 | T375-L442 HydrophobicContact CG2-CD2 3.65Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.44Å; R403-L442 PolarHBondContact N-O 2.86Å; R403-L442 PolarHBondContact O-N 3.46Å; M405-L442 HydrophobicContact CE-CD1 3.72Å; M405-L442 HydrophobicContact CE-CG 4.43Å; E440-L442 HydrophobicContact CG-CD2 4.2Å; E440-L442 HydrophobicContact CG-CG 4.42Å |
| 443 | S | 80.7 | Confident | 78.3 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 132 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | N373 L374 D402 L450 | N373-S443 CarbonylContact C-O 3.47Å; N373-S443 VanDerWaalsContact CA-O 3.32Å; N373-S443 WeakPolarHBondContact CA-O 3.32Å; L374-S443 PolarHBondContact N-O 3.27Å; L374-S443 PolarHBondContact O-N 3.1Å; D402-S443 WeakPolarHBondContact OD1-CA 3.42Å; D402-S443 WeakPolarHBondContact OD1-CB 3.45Å; D402-S443 PolarHBondContact OD1-OG 3.45Å; S443-L450 WeakPolarHBondContact OG-CD1 3.47Å |
| 444 | E | 74.7 | Confident | 78.4 | Confident | 126 Ų | 126 | 37.8 Ų | 37.8 | 59% | 0.589 | 22% | 0.221 | S | C | * | . | trans | -109.4 | -13.9 | -172.5 | -58.2 | -139.1 | 132.1 | 0 | 0 | 115.5 | N373 N401 | N373-E444 PolarHBondContact ND2-OE1 2.76Å; N401-E444 PolarHBondContact O-N 3.16Å; N401-E444 VanDerWaalsContact O-N 3.13Å | ||
| 445 | T | 65.3 | Low | 78.7 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | trans | -146.4 | 148.1 | 171.6 | 78.7 | 0 | 0 | 0 | 0 | 114.2 | A447 | T445-A447 VanDerWaalsContact C-N 3.27Å; T445-A447 PolarHBondContact O-N 2.9Å | ||
| 446 | P | 54.7 | Low | 78.8 | Confident | 91 Ų | 91 | 33.6 Ų | 33.6 | 59% | 0.591 | 20% | 0.195 | S | C | * | . | trans | -88.9 | 33.2 | -179.7 | 38.3 | -38.5 | 0 | 0 | 0 | 113.3 | P366 | P366-P446 HydrophobicContact CB-CB 3.77Š| ||
| 447 | A | 51.4 | Low | 78.7 | Confident | 78 Ų | 78 | 34 Ų | 34 | 65% | 0.645 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -70.7 | -35 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T445 | T445-A447 VanDerWaalsContact C-N 3.27Å; T445-A447 PolarHBondContact O-N 2.9Å |
| 448 | N | 55.4 | Low | 78.6 | Confident | 82 Ų | 82 | 34.2 Ų | 34.2 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -110.6 | 153 | 170.7 | -74.3 | -53.1 | 0 | 0 | 0 | 110.1 | D398 L450 | D398-N448 PolarHBondContact OD2-ND2 3.08Å; D398-N448 VanDerWaalsContact OD2-ND2 3.12Å; N448-L450 PolarHBondContact O-N 2.9Å |
| 449 | P | 60 | Low | 78.4 | Confident | 69 Ų | 69 | 34.4 Ų | 34.4 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | trans | -72.1 | 91.3 | 170 | 30.3 | -33 | 0 | 0 | 0 | 109.9 | L451 | P449-L451 PolarHBondContact O-N 3.37Å; P449-L451 VanDerWaalsContact O-N 3.07Å | ||
| 450 | L | 63.4 | Low | 78.3 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | trans | -59.4 | 113.1 | 177.7 | -165.7 | 173.9 | 0 | 0 | 0 | 110 | S363 L397 D402 L441 S443 N448 L452 | S363-L450 PolarHBondContact OG-O 2.96Å; L397-L450 HydrophobicContact CD2-CD1 4.42Å; L397-L450 HydrophobicContact CD2-CD2 3.89Å; L397-L450 HydrophobicContact CD2-CG 4.06Å; D402-L450 HydrophobicContact CB-CD1 4.28Å; D402-L450 WeakPolarHBondContact OD2-CD1 3.33Å; L441-L450 HydrophobicContact CD1-CD1 4.24Å; L441-L450 HydrophobicContact CD1-CD2 4.27Å; L441-L450 HydrophobicContact CD2-CD1 4.23Å; L441-L450 HydrophobicContact CD2-CD2 3.8Å; L441-L450 HydrophobicContact CG-CD1 4.5Å; S443-L450 WeakPolarHBondContact OG-CD1 3.47Å; N448-L450 PolarHBondContact O-N 2.9Å; L450-L452 HydrophobicContact CD2-CB 4.14Å | ||
| 451 | L | 71.3 | Confident | 78 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | trans | -127.2 | 84.9 | -170.2 | -163.8 | 64.6 | 0 | 0 | 0 | 110.9 | R394 V395 S396 P449 | R394-L451 CarbonylContact C-O 3.59Å; R394-L451 VanDerWaalsContact NE-CD2 3.28Å; V395-L451 CarbonylContact C-O 3.59Å; V395-L451 WeakPolarHBondContact CA-O 3.33Å; S396-L451 PolarHBondContact N-O 3.29Å; S396-L451 PolarHBondContact O-N 2.64Å; S396-L451 VanDerWaalsContact O-N 3.13Å; P449-L451 PolarHBondContact O-N 3.37Å; P449-L451 VanDerWaalsContact O-N 3.07Å | ||
| 452 | L | 82.9 | Confident | 78 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -94.2 | 127.2 | 172 | -176.3 | 63.4 | 0 | 0 | 0 | 109.6 | V362 S363 W378 R394 V395 L404 L441 L450 L454 | V362-L452 VanDerWaalsContact CA-O 3.28Å; V362-L452 WeakPolarHBondContact CA-O 3.22Å; S363-L452 PolarHBondContact N-O 2.9Å; S363-L452 PolarHBondContact OG-N 2.99Å; W378-L452 HydrophobicContact CH2-CD2 4.36Å; W378-L452 HydrophobicContact CZ3-CD2 4.22Å; R394-L452 CarbonylContact O-C 3.54Å; V395-L452 HydrophobicContact CG2-CD1 4.3Å; L404-L452 HydrophobicContact CD1-CD2 3.88Å; L404-L452 HydrophobicContact CD2-CD1 3.67Å; L404-L452 HydrophobicContact CD2-CD2 4.45Å; L441-L452 HydrophobicContact CB-CD2 4.36Å; L441-L452 HydrophobicContact CD1-CD2 4.38Å; L441-L452 HydrophobicContact CD2-CD2 3.98Å; L441-L452 HydrophobicContact CG-CD2 4.48Å; L450-L452 HydrophobicContact CD2-CB 4.14Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.72Å; L452-L454 HydrophobicContact CD1-CG 3.78Å; L452-L454 HydrophobicContact CD2-CD1 4.29Å; L452-L454 HydrophobicContact CD2-CG 4.49Å; L452-L454 HydrophobicContact CG-CD1 4.37Å; L452-L454 HydrophobicContact CG-CG 4.04Å | ||
| 453 | S | 85.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 108.8 | 170.6 | -156.7 | 0 | 0 | 0 | 0 | 109.6 | R360 I361 V362 E393 R394 | R360-S453 WeakPolarHBondContact CD-OG 3.36Å; R360-S453 PolarHBondContact NH1-OG 3.2Å; I361-S453 WeakPolarHBondContact O-CA 3.4Å; V362-S453 WeakPolarHBondContact CG1-OG 3.36Å; E393-S453 PolarHBondContact N-O 3.17Å; E393-S453 VanDerWaalsContact N-O 3.08Å; R394-S453 PolarHBondContact N-O 2.81Å; R394-S453 PolarHBondContact O-N 2.96Å |
| 454 | L | 88.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.7 | -177.9 | -57.2 | -179.6 | 0 | 0 | 0 | 109.6 | R360 I361 L390 F392 V439 L452 | R360-L454 CarbonylContact C-O 3.6Å; R360-L454 VanDerWaalsContact CA-O 3.23Å; R360-L454 WeakPolarHBondContact CA-O 3.5Å; R360-L454 WeakPolarHBondContact CG-O 3.26Å; I361-L454 HydrophobicContact CB-CB 4.5Å; I361-L454 PolarHBondContact N-O 2.77Å; I361-L454 PolarHBondContact O-N 2.92Å; L390-L454 HydrophobicContact CD2-CB 4.19Å; F392-L454 HydrophobicContact CB-CD2 4.46Å; F392-L454 HydrophobicContact CD1-CD2 3.22Å; F392-L454 HydrophobicContact CE1-CD2 3.66Å; F392-L454 HydrophobicContact CG-CD2 4.02Å; V439-L454 HydrophobicContact CG1-CD1 4.02Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.72Å; L452-L454 HydrophobicContact CD1-CG 3.78Å; L452-L454 HydrophobicContact CD2-CD1 4.29Å; L452-L454 HydrophobicContact CD2-CG 4.49Å; L452-L454 HydrophobicContact CG-CD1 4.37Å; L452-L454 HydrophobicContact CG-CG 4.04Å |
| 455 | R | 89.5 | Confident | 79.3 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.5 | 167.7 | 178.7 | -177.1 | -178.4 | -84.3 | -2.4 | 108.3 | L358 G359 L390 H391 E393 E457 | L358-R455 HydrophobicContact CD1-CG 4.47Å; L358-R455 VanDerWaalsContact CD1-NH2 3.32Å; G359-R455 WeakPolarHBondContact O-CA 3.43Å; L390-R455 WeakPolarHBondContact CA-O 3.39Å; H391-R455 HydrophobicContact CB-CB 4.3Å; H391-R455 PolarHBondContact N-O 2.91Å; H391-R455 PolarHBondContact O-N 2.91Å; E393-R455 HydrophobicContact CG-CB 4.26Å; E393-R455 WeakPolarHBondContact OE1-CB 3.44Å; R455-E457 IonicContact CZ-OE2 2.67Å; R455-E457 VanDerWaalsContact CZ-OE2 3.25Å; R455-E457 IonicContact NH1-OE2 2.74Å; R455-E457 PolarHBondContact NH1-OE2 2.96Å; R455-E457 IonicContact NH2-OE2 3.7Å; R455-E457 PolarHBondContact NH2-OE2 2.74Å |
| 456 | F | 91.4 | Very high | 80.4 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.3 | 173.5 | 66.3 | -98.2 | 0 | 0 | 0 | 111.4 | I353 A356 L358 G359 I361 I380 H389 L390 | I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.66Å; I353-F456 HydrophobicContact CG2-CE2 4.29Å; I353-F456 HydrophobicContact CG2-CZ 3.94Å; A356-F456 HydrophobicContact CB-CD2 4.17Å; A356-F456 HydrophobicContact CB-CE2 3.82Å; L358-F456 CarbonylContact C-O 3.56Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; G359-F456 VanDerWaalsContact C-CE1 3.43Å; G359-F456 VanDerWaalsContact CA-CZ 3.47Å; G359-F456 PolarHBondContact N-O 3.39Å; G359-F456 PolarHBondContact O-N 2.92Å; I361-F456 HydrophobicContact CD1-CD1 4.14Å; I361-F456 HydrophobicContact CD1-CE1 4.35Å; I361-F456 HydrophobicContact CG1-CD1 4.19Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å; I380-F456 HydrophobicContact CD1-CB 4.01Å; I380-F456 HydrophobicContact CD1-CD1 4.13Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.97Å; I380-F456 HydrophobicContact CG2-CE2 4.25Å; I380-F456 HydrophobicContact CG2-CG 4.29Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.33Å; L390-F456 HydrophobicContact CD2-CB 3.84Å |
| 457 | E | 91.4 | Very high | 81.9 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.3 | -179.8 | -170 | 177.5 | 121.8 | 0 | 0 | 110.7 | L358 L388 H389 R455 A466 | L358-E457 HydrophobicContact CD1-CB 4.14Å; L358-E457 HydrophobicContact CD1-CG 4.17Å; L388-E457 CarbonylContact C-O 3.6Å; L388-E457 WeakPolarHBondContact CA-O 3.4Å; H389-E457 PolarHBondContact N-O 3.07Å; H389-E457 PolarHBondContact O-N 3.48Å; R455-E457 IonicContact CZ-OE2 2.67Å; R455-E457 VanDerWaalsContact CZ-OE2 3.25Å; R455-E457 IonicContact NH1-OE2 2.74Å; R455-E457 PolarHBondContact NH1-OE2 2.96Å; R455-E457 IonicContact NH2-OE2 3.7Å; R455-E457 PolarHBondContact NH2-OE2 2.74Å; E457-A466 WeakPolarHBondContact OE1-CB 3.17Å; E457-A466 PolarHBondContact OE1-N 3Å |
| 458 | A | 91.8 | Very high | 83.3 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 103.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A356 T357 A382 R386 R387 L388 | A356-A458 WeakPolarHBondContact O-CB 3.35Å; T357-A458 PolarHBondContact O-N 2.74Å; A382-A458 HydrophobicContact CB-CB 3.81Å; R386-A458 PolarHBondContact NH1-O 2.81Å; R387-A458 CarbonylContact O-C 3.57Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.4Å; L388-A458 HydrophobicContact CD2-CB 3.8Å |
| 459 | F | 90.4 | Very high | 84.7 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 161.1 | -174.4 | 69.9 | -76.8 | 0 | 0 | 0 | 111.9 | R386 R387 H389 I431 F465 | R386-F459 CarbonylContact C-O 3.51Å; R386-F459 WeakPolarHBondContact CA-O 3.21Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 2.97Å; R387-F459 HydrophobicContact CB-CD1 4.46Å; R387-F459 HydrophobicContact CB-CE1 3.88Å; R387-F459 HydrophobicContact CB-CE2 4.48Å; R387-F459 HydrophobicContact CB-CZ 3.9Å; R387-F459 PolarHBondContact N-O 3.02Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 2.67Å; H389-F459 HydrophobicContact CB-CD1 4.27Å; H389-F459 HydrophobicContact CB-CE1 3.97Å; I431-F459 HydrophobicContact CG2-CE1 4.34Å; I431-F459 HydrophobicContact CG2-CZ 3.91Å; F459-F465 HydrophobicContact CB-CB 4.33Å; F459-F465 HydrophobicContact CD1-CB 3.79Å; F459-F465 HydrophobicContact CD2-CB 4.25Å; F459-F465 HydrophobicContact CE1-CB 4.1Å; F459-F465 HydrophobicContact CG-CB 3.87Å; F459-F465 HydrophobicContact CZ-CB 4.46Å; F459-F465 HydrophobicContact CZ-CD1 4.46Å |
| 460 | E | 88.9 | Confident | 85.6 | Confident | 65 Ų | 65 | 27 Ų | 27 | 30% | 0.304 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 152.3 | 180 | -65.4 | 170.9 | 177.8 | 0 | 0 | 110.6 | R386 D462 R463 | R386-E460 HydrophobicContact CG-CG 4.03Å; R386-E460 IonicContact CZ-OE1 2.67Å; R386-E460 IonicContact NE-OE1 2.73Å; R386-E460 IonicContact NH2-OE1 3.06Å; R386-E460 PolarHBondContact NH2-OE1 2.91Å; E460-D462 WeakPolarHBondContact CB-OD1 3.38Å; E460-D462 PolarHBondContact O-N 2.88Å; E460-D462 VanDerWaalsContact O-N 3.11Å; E460-R463 HydrophobicContact CB-CG 4.47Å; E460-R463 WeakPolarHBondContact O-CG 3.43Å; E460-R463 IonicContact OE2-CZ 3.77Å; E460-R463 IonicContact OE2-NE 2.83Å; E460-R463 PolarHBondContact OE2-NE 2.93Å; E460-R463 IonicContact OE2-NH2 3.83Å; E460-R463 PolarHBondContact OE2-NH2 2.93Å |
| 461 | E | 85.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 30.1 Ų | 30.1 | 49% | 0.491 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.8 | -173.7 | -54.9 | -167.8 | 119 | 0 | 0 | 114.8 | R387 | R387-E461 HydrophobicContact CG-CG 4.19Å; R387-E461 IonicContact CZ-OE1 3.18Å; R387-E461 IonicContact NE-OE1 3.91Å; R387-E461 PolarHBondContact NE-OE1 2.77Å; R387-E461 IonicContact NH2-OE1 2.74Å; R387-E461 PolarHBondContact NH2-OE1 2.86Å |
| 462 | D | 87.9 | Confident | 87.2 | Confident | 71 Ų | 71 | 28.8 Ų | 28.8 | 38% | 0.38 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 6.6 | -176.3 | 74.3 | -40 | 0 | 0 | 0 | 114.5 | E460 R482 P483 | E460-D462 WeakPolarHBondContact CB-OD1 3.38Å; E460-D462 PolarHBondContact O-N 2.88Å; E460-D462 VanDerWaalsContact O-N 3.11Å; D462-R482 IonicContact OD2-NH1 3.95Å; D462-P483 WeakPolarHBondContact O-CD 3.36Å |
| 463 | R | 89.9 | Confident | 87.5 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 11% | 0.106 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -152 | 163.7 | -172.3 | 66.9 | -162.9 | 69.3 | -129.5 | 10.4 | 112.2 | E460 E480 Y481 | E460-R463 HydrophobicContact CB-CG 4.47Å; E460-R463 WeakPolarHBondContact O-CG 3.43Å; E460-R463 IonicContact OE2-CZ 3.77Å; E460-R463 IonicContact OE2-NE 2.83Å; E460-R463 PolarHBondContact OE2-NE 2.93Å; E460-R463 IonicContact OE2-NH2 3.83Å; E460-R463 PolarHBondContact OE2-NH2 2.93Å; R463-E480 WeakPolarHBondContact CD-O 3.26Å; R463-E480 IonicContact CZ-OE2 3.45Å; R463-E480 PolarHBondContact NH1-O 3.26Å; R463-E480 IonicContact NH1-OE2 3.22Å; R463-E480 PolarHBondContact NH1-OE2 3.01Å; R463-E480 IonicContact NH2-OE2 2.77Å; R463-Y481 WeakPolarHBondContact CB-O 3.48Å |
| 464 | C | 90.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -76.5 | 154 | 169.7 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | Y481 C508 H515 W516 | C464-Y481 PolarHBondContact N-O 3.38Å; C464-Y481 WeakPolarHBondContact O-CB 3.48Å; C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.5Å; C464-C508 PolarHBondContact N-SG 2.89Å; C464-C508 WeakPolarHBondContact SG-CA 3.49Å; C464-C508 WeakPolarHBondContact SG-CB 3.44Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.85Å; C464-H515 PolarHBondContact SG-N 3.19Å; C464-W516 HydrophobicContact CB-CD2 4Å; C464-W516 VanDerWaalsContact CB-CE2 3.44Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.3Å; C464-W516 HydrophobicContact CB-CZ2 3.59Å |
| 465 | F | 89.4 | Confident | 87.8 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 155.4 | 171.4 | 61.6 | -95.2 | 0 | 0 | 0 | 111.1 | H389 I431 F459 P467 W516 E520 | H389-F465 HydrophobicContact CB-CB 4.14Å; H389-F465 HydrophobicContact CB-CD1 4.39Å; H389-F465 HydrophobicContact CB-CD2 4.49Å; H389-F465 HydrophobicContact CB-CG 4.1Å; H389-F465 AromaticContact CD2-CD1 3.98Å; H389-F465 AromaticContact CD2-CE1 3.81Å; H389-F465 AromaticContact CD2-CZ 3.85Å; H389-F465 AromaticContact CE1-CD2 3.66Å; H389-F465 AromaticContact CE1-CE2 3.28Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.08Å; H389-F465 AromaticContact CE1-CZ 3.66Å; H389-F465 AromaticContact CG-CD2 3.89Å; H389-F465 AromaticContact CG-CG 3.88Å; H389-F465 AromaticContact ND1-CD2 3.56Å; H389-F465 AromaticContact ND1-CE2 3.71Å; H389-F465 AromaticContact NE2-CE1 3.84Å; H389-F465 AromaticContact NE2-CE2 3.55Å; H389-F465 AromaticContact NE2-CZ 3.39Å; H389-F465 WeakPolarHBondContact NE2-CZ 3.5Å; I431-F465 HydrophobicContact CD1-CD1 4.35Å; I431-F465 HydrophobicContact CD1-CE1 4.1Å; F459-F465 HydrophobicContact CB-CB 4.33Å; F459-F465 HydrophobicContact CD1-CB 3.79Å; F459-F465 HydrophobicContact CD2-CB 4.25Å; F459-F465 HydrophobicContact CE1-CB 4.1Å; F459-F465 HydrophobicContact CG-CB 3.87Å; F459-F465 HydrophobicContact CZ-CB 4.46Å; F459-F465 HydrophobicContact CZ-CD1 4.46Å; F465-P467 WeakPolarHBondContact O-CD 3.43Å; F465-W516 AromaticContact CD2-NE1 4Å; F465-W516 AromaticContact CE1-CD1 3.76Å; F465-W516 AromaticContact CE2-CD1 3.82Å; F465-W516 AromaticContact CE2-NE1 3.9Å; F465-W516 AromaticContact CZ-CD1 3.52Å; F465-W516 WeakPolarHBondContact O-CZ2 3.34Å; F465-W516 PolarHBondContact O-NE1 2.82Å; F465-E520 WeakPolarHBondContact CE2-OE1 3.05Å |
| 466 | A | 88.1 | Confident | 87.9 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 120.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E457 Y481 | E457-A466 WeakPolarHBondContact OE1-CB 3.17Å; E457-A466 PolarHBondContact OE1-N 3Å; A466-Y481 HydrophobicContact CB-CD2 3.95Å; A466-Y481 HydrophobicContact CB-CE2 3.38Å |
| 467 | P | 86.8 | Confident | 87.9 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 144.4 | -176.6 | 27.3 | -31.9 | 0 | 0 | 0 | 110.9 | F465 V474 A487 F489 I506 W516 E520 | F465-P467 WeakPolarHBondContact O-CD 3.43Å; P467-V474 HydrophobicContact CG-CG1 4.21Å; P467-A487 HydrophobicContact CG-CB 3.85Å; P467-F489 HydrophobicContact CB-CE1 4.09Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.35Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; P467-I506 HydrophobicContact CB-CD1 4.02Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; P467-E520 WeakPolarHBondContact CA-OE1 3.31Å; P467-E520 HydrophobicContact CB-CG 3.48Å; P467-E520 VanDerWaalsContact CB-CG 3.48Å |
| 468 | F | 81.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | trans | -109.5 | 137.7 | -175.9 | 177.1 | -106.1 | 0 | 0 | 0 | 111.8 | H391 E393 A470 | H391-F468 AromaticContact CD2-CD1 3.74Å; H391-F468 AromaticContact NE2-CD1 3.58Å; E393-F468 VanDerWaalsContact CD-CE1 3.47Å; E393-F468 HydrophobicContact CG-CD1 4.34Å; E393-F468 HydrophobicContact CG-CE1 3.74Å; E393-F468 HydrophobicContact CG-CZ 4.42Å; F468-A470 HydrophobicContact CE1-CB 3.92Å; F468-A470 HydrophobicContact CZ-CB 4.25Å | ||
| 469 | L | 83.4 | Confident | 87.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | trans | -130.6 | 99.5 | 177.2 | -173.7 | 66.3 | 0 | 0 | 0 | 109.9 | H471 G472 V474 F489 S490 P521 C523 | L469-H471 PolarHBondContact O-N 3.47Å; L469-G472 PolarHBondContact O-N 2.85Å; L469-V474 HydrophobicContact CB-CG2 3.79Å; L469-F489 HydrophobicContact CB-CD1 4.27Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.07Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.48Å; L469-S490 VanDerWaalsContact CD2-O 3.29Å; L469-S490 WeakPolarHBondContact CD2-O 3.36Å; L469-P521 WeakPolarHBondContact CD1-O 3.32Å; L469-C523 HydrophobicContact CD1-CB 4.44Å | ||
| 470 | A | 79.5 | Confident | 87.6 | Confident | 43 Ų | 43 | 53 Ų | 53 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 136.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F468 G472 C523 | F468-A470 HydrophobicContact CE1-CB 3.92Å; F468-A470 HydrophobicContact CZ-CB 4.25Å; A470-G472 PolarHBondContact O-N 2.95Å; A470-C523 WeakPolarHBondContact O-CB 3.26Å |
| 471 | H | 83.9 | Confident | 87.7 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.6 | -179.3 | -51.3 | -61.2 | 0 | 0 | 0 | 115.4 | L469 L492 Y495 C523 P544 | L469-H471 PolarHBondContact O-N 3.47Å; H471-L492 WeakPolarHBondContact O-CB 3.08Å; H471-L492 WeakPolarHBondContact O-CG 3.39Å; H471-L492 PolarHBondContact O-N 2.88Å; H471-Y495 HydrophobicContact CB-CD1 3.74Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.59Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 3.96Å; H471-Y495 AromaticContact CG-CE1 3.53Å; H471-Y495 AromaticContact CG-CZ 3.53Å; H471-Y495 AromaticContact ND1-CZ 3.85Å; H471-C523 HydrophobicContact CB-CB 4.48Å; H471-P544 VanDerWaalsContact NE2-CD 3.32Å; H471-P544 WeakPolarHBondContact NE2-CD 3.48Å |
| 472 | G | 85.4 | Confident | 88 | Confident | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -179.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L469 A470 S490 | L469-G472 PolarHBondContact O-N 2.85Å; A470-G472 PolarHBondContact O-N 2.95Å; G472-S490 CarbonylContact C-O 3.53Å; G472-S490 WeakPolarHBondContact CA-O 3.19Å |
| 473 | N | 88.6 | Confident | 88.3 | Confident | 95 Ų | 95 | 51 Ų | 51 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.8 | 174.9 | -61 | -48.3 | 0 | 0 | 0 | 109.9 | S490 | N473-S490 PolarHBondContact N-O 2.78Å; N473-S490 PolarHBondContact O-N 3Å; N473-S490 PolarHBondContact O-OG 3.38Å |
| 474 | V | 89.4 | Confident | 88.3 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.5 | 169.5 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | P467 L469 A487 F489 | P467-V474 HydrophobicContact CG-CG1 4.21Å; L469-V474 HydrophobicContact CB-CG2 3.79Å; V474-A487 HydrophobicContact CG1-CB 4.22Å; V474-F489 HydrophobicContact CG1-CD1 4.47Å; V474-F489 HydrophobicContact CG1-CE1 4.27Å; V474-F489 HydrophobicContact CG2-CD1 3.92Å; V474-F489 HydrophobicContact CG2-CE1 3.96Å |
| 475 | T | 90.7 | Very high | 88.4 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.5 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 108.6 | A487 T488 | T475-A487 CarbonylContact O-C 3.55Å; T475-A487 WeakPolarHBondContact O-CA 3.35Å; T475-T488 PolarHBondContact N-O 3.42Å; T475-T488 PolarHBondContact O-N 2.96Å; T475-T488 PolarHBondContact O-OG1 2.99Å; T475-T488 PolarHBondContact OG1-O 3.32Å; T475-T488 VanDerWaalsContact OG1-O 3.06Å; T475-T488 PolarHBondContact OG1-OG1 3.41Å |
| 476 | T | 91.2 | Very high | 88.5 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.7 | -174.8 | 177 | 0 | 0 | 0 | 0 | 112 | D478 Y481 L486 | T476-D478 VanDerWaalsContact C-N 3.3Å; T476-D478 WeakPolarHBondContact CG2-O 3.3Å; T476-D478 PolarHBondContact OG1-N 3.32Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.81Å; T476-Y481 HydrophobicContact CG2-CE1 3.84Å; T476-L486 WeakPolarHBondContact CA-O 3.31Å |
| 477 | T | 91.8 | Very high | 88.7 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -72.2 | -24.1 | 170.6 | 58.3 | 0 | 0 | 0 | 0 | 113 | L486 | T477-L486 HydrophobicContact CG2-CB 3.95Å; T477-L486 PolarHBondContact N-O 2.98Å; T477-L486 PolarHBondContact OG1-N 3.34Å |
| 478 | D | 90.2 | Very high | 88.9 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | trans | -139.6 | 116.1 | 177.3 | -177.6 | 1.1 | 0 | 0 | 0 | 109.6 | T476 E480 Y481 R482 A485 | T476-D478 VanDerWaalsContact C-N 3.3Å; T476-D478 WeakPolarHBondContact CG2-O 3.3Å; T476-D478 PolarHBondContact OG1-N 3.32Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.81Å; D478-E480 PolarHBondContact O-N 3.43Å; D478-E480 WeakPolarHBondContact OD1-CB 3.17Å; D478-E480 PolarHBondContact OD1-N 3.4Å; D478-Y481 PolarHBondContact O-N 2.79Å; D478-R482 WeakPolarHBondContact OD2-CB 3.39Å; D478-R482 WeakPolarHBondContact OD2-CD 3.36Å; D478-R482 WeakPolarHBondContact OD2-CG 3.48Å; D478-A485 HydrophobicContact CB-CB 3.93Å | ||
| 479 | P | 88.3 | Confident | 89.3 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.9 | 177.9 | 30.9 | -37.5 | 0 | 0 | 0 | 113.6 | ||
| 480 | E | 88.3 | Confident | 89.5 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 1.7 | 176.7 | -94.4 | -169.7 | -132.5 | 0 | 0 | 114 | R463 D478 R482 | R463-E480 WeakPolarHBondContact CD-O 3.26Å; R463-E480 IonicContact CZ-OE2 3.45Å; R463-E480 PolarHBondContact NH1-O 3.26Å; R463-E480 IonicContact NH1-OE2 3.22Å; R463-E480 PolarHBondContact NH1-OE2 3.01Å; R463-E480 IonicContact NH2-OE2 2.77Å; D478-E480 PolarHBondContact O-N 3.43Å; D478-E480 WeakPolarHBondContact OD1-CB 3.17Å; D478-E480 PolarHBondContact OD1-N 3.4Å; E480-R482 HydrophobicContact CB-CG 4.2Å; E480-R482 PolarHBondContact O-N 3.06Å; E480-R482 VanDerWaalsContact O-N 3.1Å; E480-R482 IonicContact OE2-CZ 3.11Å; E480-R482 IonicContact OE2-NE 2.87Å; E480-R482 PolarHBondContact OE2-NE 3.4Å; E480-R482 IonicContact OE2-NH2 2.65Å; E480-R482 PolarHBondContact OE2-NH2 3.04Å |
| 481 | Y | 91.4 | Very high | 90 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | trans | 50 | 34.2 | 173.8 | -58.1 | -67.4 | 0 | 0 | 0 | 115.6 | R463 C464 A466 T476 D478 A487 C508 W516 | R463-Y481 WeakPolarHBondContact CB-O 3.48Å; C464-Y481 PolarHBondContact N-O 3.38Å; C464-Y481 WeakPolarHBondContact O-CB 3.48Å; A466-Y481 HydrophobicContact CB-CD2 3.95Å; A466-Y481 HydrophobicContact CB-CE2 3.38Å; T476-Y481 HydrophobicContact CG2-CE1 3.84Å; D478-Y481 PolarHBondContact O-N 2.79Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; Y481-C508 PolarHBondContact O-SG 2.89Å; Y481-C508 VanDerWaalsContact O-SG 3.33Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CE1-CH2 4.46Å; Y481-W516 HydrophobicContact CE1-CZ2 4.49Å; Y481-W516 HydrophobicContact CG-CZ2 4.3Å | ||
| 482 | R | 92.2 | Very high | 90.3 | Very high | 108 Ų | 108 | 54.5 Ų | 54.5 | 41% | 0.408 | 32% | 0.319 | S | S | . | . | trans | -66.3 | 159.4 | 177.7 | -63 | 169.5 | 171.8 | -87.2 | -1.2 | 111.1 | D462 D478 E480 G484 A485 | D462-R482 IonicContact OD2-NH1 3.95Å; D478-R482 WeakPolarHBondContact OD2-CB 3.39Å; D478-R482 WeakPolarHBondContact OD2-CD 3.36Å; D478-R482 WeakPolarHBondContact OD2-CG 3.48Å; E480-R482 HydrophobicContact CB-CG 4.2Å; E480-R482 PolarHBondContact O-N 3.06Å; E480-R482 VanDerWaalsContact O-N 3.1Å; E480-R482 IonicContact OE2-CZ 3.11Å; E480-R482 IonicContact OE2-NE 2.87Å; E480-R482 PolarHBondContact OE2-NE 3.4Å; E480-R482 IonicContact OE2-NH2 2.65Å; E480-R482 PolarHBondContact OE2-NH2 3.04Å; R482-G484 PolarHBondContact O-N 3.3Å; R482-A485 WeakPolarHBondContact O-CB 3.43Å; R482-A485 PolarHBondContact O-N 2.97Å | ||
| 483 | P | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 58 Ų | 58 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 126.3 | 173.9 | -29 | 36 | 0 | 0 | 0 | 112.6 | D462 C508 P511 P514 | D462-P483 WeakPolarHBondContact O-CD 3.36Å; P483-C508 CarbonylContact C-O 3.59Å; P483-C508 WeakPolarHBondContact CA-O 3.3Å; P483-P511 HydrophobicContact CB-CB 4.4Å; P483-P514 HydrophobicContact CG-CB 4.14Å; P483-P514 HydrophobicContact CG-CG 3.9Å |
| 484 | G | 90.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 55 Ų | 55 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 0.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R482 C508 | R482-G484 PolarHBondContact O-N 3.3Å; G484-C508 PolarHBondContact N-O 2.89Å |
| 485 | A | 92.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | trans | -74.1 | 135.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D478 R482 E507 C508 | D478-A485 HydrophobicContact CB-CB 3.93Å; R482-A485 WeakPolarHBondContact O-CB 3.43Å; R482-A485 PolarHBondContact O-N 2.97Å; A485-E507 WeakPolarHBondContact O-CA 3.38Å; A485-C508 HydrophobicContact CB-CB 4.37Å; A485-C508 PolarHBondContact O-N 2.98Å | ||
| 486 | L | 93.1 | Very high | 90 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.2 | 175.2 | -174.3 | 79.2 | 0 | 0 | 0 | 109.7 | T476 T477 A505 I506 E507 | T476-L486 WeakPolarHBondContact CA-O 3.31Å; T477-L486 HydrophobicContact CG2-CB 3.95Å; T477-L486 PolarHBondContact N-O 2.98Å; T477-L486 PolarHBondContact OG1-N 3.34Å; L486-A505 HydrophobicContact CD1-CB 3.89Å; L486-A505 HydrophobicContact CD2-CB 4.38Å; L486-A505 HydrophobicContact CG-CB 4.07Å; L486-I506 CarbonylContact C-O 3.54Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; L486-E507 HydrophobicContact CD1-CB 4.24Å |
| 487 | A | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P467 V474 T475 Y481 F489 A505 I506 W516 | P467-A487 HydrophobicContact CG-CB 3.85Å; V474-A487 HydrophobicContact CG1-CB 4.22Å; T475-A487 CarbonylContact O-C 3.55Å; T475-A487 WeakPolarHBondContact O-CA 3.35Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; A487-F489 WeakPolarHBondContact O-CE2 3.28Å; A487-A505 CarbonylContact O-C 3.54Å; A487-A505 WeakPolarHBondContact O-CA 3.36Å; A487-I506 HydrophobicContact CB-CG1 4.17Å; A487-I506 PolarHBondContact N-O 2.84Å; A487-I506 PolarHBondContact O-N 2.88Å; A487-W516 HydrophobicContact CB-CH2 3.98Å; A487-W516 HydrophobicContact CB-CZ3 4.25Å |
| 488 | T | 90.7 | Very high | 89.3 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.3 | -179.9 | 33.1 | 0 | 0 | 0 | 0 | 112.4 | T475 A505 | T475-T488 PolarHBondContact N-O 3.42Å; T475-T488 PolarHBondContact O-N 2.96Å; T475-T488 PolarHBondContact O-OG1 2.99Å; T475-T488 PolarHBondContact OG1-O 3.32Å; T475-T488 VanDerWaalsContact OG1-O 3.06Å; T475-T488 PolarHBondContact OG1-OG1 3.41Å; T488-A505 HydrophobicContact CG2-CB 3.54Å |
| 489 | F | 89.4 | Confident | 88.5 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.7 | -173.7 | -59.7 | -79.1 | 0 | 0 | 0 | 113.2 | P467 L469 V474 A487 L497 N504 I506 E520 P521 | P467-F489 HydrophobicContact CB-CE1 4.09Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.35Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; L469-F489 HydrophobicContact CB-CD1 4.27Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.07Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.48Å; V474-F489 HydrophobicContact CG1-CD1 4.47Å; V474-F489 HydrophobicContact CG1-CE1 4.27Å; V474-F489 HydrophobicContact CG2-CD1 3.92Å; V474-F489 HydrophobicContact CG2-CE1 3.96Å; A487-F489 WeakPolarHBondContact O-CE2 3.28Å; F489-L497 HydrophobicContact CB-CD2 4.22Å; F489-N504 PolarHBondContact N-O 3.05Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.08Å; F489-I506 HydrophobicContact CE2-CG1 3.75Å; F489-I506 HydrophobicContact CE2-CG2 4.12Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.18Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 3.99Å; F489-P521 HydrophobicContact CB-CG 3.85Å; F489-P521 HydrophobicContact CD1-CG 4.25Å; F489-P521 VanDerWaalsContact CD2-CD 3.46Å; F489-P521 HydrophobicContact CD2-CG 3.64Å; F489-P521 HydrophobicContact CE2-CG 4.24Å; F489-P521 HydrophobicContact CG-CG 3.65Å |
| 490 | S | 89.2 | Confident | 87.2 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 137.5 | 176.4 | 59 | 0 | 0 | 0 | 0 | 111.2 | L469 G472 N473 | L469-S490 VanDerWaalsContact CD2-O 3.29Å; L469-S490 WeakPolarHBondContact CD2-O 3.36Å; G472-S490 CarbonylContact C-O 3.53Å; G472-S490 WeakPolarHBondContact CA-O 3.19Å; N473-S490 PolarHBondContact N-O 2.78Å; N473-S490 PolarHBondContact O-N 3Å; N473-S490 PolarHBondContact O-OG 3.38Å |
| 491 | C | 89.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 157.4 | -179.4 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | Y495 L497 C523 | C491-Y495 WeakPolarHBondContact CB-O 2.96Å; C491-L497 WeakPolarHBondContact SG-CD2 3.18Å; C491-C523 WeakPolarHBondContact CA-SG 3.46Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.41Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.83Å |
| 492 | L | 90 | Very high | 84.5 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 156.7 | 169 | -66.4 | 176 | 0 | 0 | 0 | 111.3 | H471 G494 Y495 | H471-L492 WeakPolarHBondContact O-CB 3.08Å; H471-L492 WeakPolarHBondContact O-CG 3.39Å; H471-L492 PolarHBondContact O-N 2.88Å; L492-G494 PolarHBondContact O-N 3.42Å; L492-Y495 HydrophobicContact CB-CD2 4.22Å; L492-Y495 PolarHBondContact O-N 3.06Å |
| 493 | P | 87.9 | Confident | 83.1 | Confident | 91 Ų | 91 | 54 Ų | 54 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 128.4 | 178.8 | -27.8 | 36.1 | 0 | 0 | 0 | 113.1 | V537 | P493-V537 HydrophobicContact CB-CG2 4.11Š|
| 494 | G | 85 | Confident | 82.4 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -8.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | L492 V537 | L492-G494 PolarHBondContact O-N 3.42Å; G494-V537 VanDerWaalsContact CA-O 3.32Å; G494-V537 WeakPolarHBondContact CA-O 3.26Å |
| 495 | Y | 88.3 | Confident | 82.2 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | trans | -112.8 | 152 | 174.7 | -60.7 | -100.7 | 0 | 0 | 0 | 111.1 | H471 C491 L492 K524 A525 L539 W543 | H471-Y495 HydrophobicContact CB-CD1 3.74Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.59Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 3.96Å; H471-Y495 AromaticContact CG-CE1 3.53Å; H471-Y495 AromaticContact CG-CZ 3.53Å; H471-Y495 AromaticContact ND1-CZ 3.85Å; C491-Y495 WeakPolarHBondContact CB-O 2.96Å; L492-Y495 HydrophobicContact CB-CD2 4.22Å; L492-Y495 PolarHBondContact O-N 3.06Å; Y495-K524 WeakPolarHBondContact CA-O 3.48Å; Y495-A525 HydrophobicContact CD1-CB 4.46Å; Y495-A525 HydrophobicContact CE1-CB 4.48Å; Y495-L539 HydrophobicContact CD2-CD1 3.78Å; Y495-L539 HydrophobicContact CE1-CD1 4.21Å; Y495-L539 HydrophobicContact CE2-CD1 3.36Å; Y495-L539 HydrophobicContact CG-CD1 4.36Å; Y495-W543 VanDerWaalsContact CE1-O 3.27Å; Y495-W543 WeakPolarHBondContact CE1-O 3.42Å; Y495-W543 PolarHBondContact OH-O 2.87Å | ||
| 496 | A | 86.4 | Confident | 82.1 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 158.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C523 K524 M526 | A496-C523 WeakPolarHBondContact O-CA 3.36Å; A496-K524 PolarHBondContact N-O 2.87Å; A496-K524 PolarHBondContact O-N 3.45Å; A496-M526 HydrophobicContact CB-CG 3.69Å |
| 497 | L | 85.8 | Confident | 82 | Confident | 42 Ų | 42 | 55 Ų | 55 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 132.5 | 178.6 | -67.1 | 170.2 | 0 | 0 | 0 | 111.2 | F489 C491 N504 P521 A522 | F489-L497 HydrophobicContact CB-CD2 4.22Å; C491-L497 WeakPolarHBondContact SG-CD2 3.18Å; L497-N504 HydrophobicContact CD1-CB 4.32Å; L497-P521 HydrophobicContact CD2-CB 4.01Å; L497-P521 HydrophobicContact CD2-CG 3.83Å; L497-A522 CarbonylContact C-O 3.56Å; L497-A522 WeakPolarHBondContact CA-O 3.41Å |
| 498 | E | 82.1 | Confident | 82.1 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.9 | 169 | -170.4 | -179.5 | -149 | 0 | 0 | 109.4 | A522 K524 | E498-A522 PolarHBondContact N-O 2.87Å; E498-A522 PolarHBondContact O-N 2.96Å; E498-K524 WeakPolarHBondContact OE2-CD 3.35Å; E498-K524 WeakPolarHBondContact OE2-CE 3.48Å; E498-K524 IonicContact OE2-NZ 2.71Å; E498-K524 PolarHBondContact OE2-NZ 2.94Å |
| 499 | P | 72.9 | Confident | 82.1 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | S | Bend | cis | -68.8 | 150.1 | -2.6 | 29.9 | -35.9 | 0 | 0 | 0 | 112.9 | G501 | P499-G501 VanDerWaalsContact C-N 3.34Å; P499-G501 PolarHBondContact O-N 2.86Å |
| 500 | P | 62.4 | Low | 82 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 75% | 0.747 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.3 | 80.7 | -177.3 | 30.4 | -35.9 | 0 | 0 | 0 | 112.2 | ||
| 501 | G | 59.7 | Low | 81.8 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 178.5 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P499 | P499-G501 VanDerWaalsContact C-N 3.34Å; P499-G501 PolarHBondContact O-N 2.86Å |
| 502 | P | 62.5 | Low | 81.7 | Confident | 118 Ų | 118 | 64.9 Ų | 64.9 | 77% | 0.766 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -70 | 149.7 | 164.8 | 31.4 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 503 | P | 62.6 | Low | 81.5 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | cis | -79.6 | 123.9 | 10.7 | 29.8 | -33.6 | 0 | 0 | 0 | 114.3 | A505 | P503-A505 WeakPolarHBondContact CB-O 3.36Å; P503-A505 PolarHBondContact O-N 2.9Å | ||
| 504 | N | 77.9 | Confident | 81.5 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 46% | 0.46 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -86.8 | 15.5 | 164 | 67.5 | -49.6 | 0 | 0 | 0 | 111.9 | F489 L497 | F489-N504 PolarHBondContact N-O 3.05Å; L497-N504 HydrophobicContact CD1-CB 4.32Å |
| 505 | A | 87.3 | Confident | 81.6 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 135.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L486 A487 T488 P503 | L486-A505 HydrophobicContact CD1-CB 3.89Å; L486-A505 HydrophobicContact CD2-CB 4.38Å; L486-A505 HydrophobicContact CG-CB 4.07Å; A487-A505 CarbonylContact O-C 3.54Å; A487-A505 WeakPolarHBondContact O-CA 3.36Å; T488-A505 HydrophobicContact CG2-CB 3.54Å; P503-A505 WeakPolarHBondContact CB-O 3.36Å; P503-A505 PolarHBondContact O-N 2.9Å |
| 506 | I | 89.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 151.4 | 174.5 | 60.3 | -179.9 | 0 | 0 | 0 | 111.3 | P467 L486 A487 F489 W516 N517 D518 T519 E520 | P467-I506 HydrophobicContact CB-CD1 4.02Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; L486-I506 CarbonylContact C-O 3.54Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; A487-I506 HydrophobicContact CB-CG1 4.17Å; A487-I506 PolarHBondContact N-O 2.84Å; A487-I506 PolarHBondContact O-N 2.88Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.08Å; F489-I506 HydrophobicContact CE2-CG1 3.75Å; F489-I506 HydrophobicContact CE2-CG2 4.12Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; I506-W516 HydrophobicContact CB-CE3 3.98Å; I506-W516 HydrophobicContact CD1-CB 4.1Å; I506-W516 HydrophobicContact CD1-CD2 3.53Å; I506-W516 HydrophobicContact CD1-CE3 3.65Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.29Å; I506-W516 HydrophobicContact CG1-CD2 3.94Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; I506-N517 WeakPolarHBondContact CA-OD1 3.27Å; I506-D518 HydrophobicContact CG2-CB 3.97Å; I506-T519 WeakPolarHBondContact CG2-O 3.31Å; I506-E520 HydrophobicContact CD1-CG 4.25Å |
| 507 | E | 90.9 | Very high | 81.7 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.2 | -179 | -171.3 | -179.4 | 176.3 | 0 | 0 | 110.2 | A485 L486 V509 N517 | A485-E507 WeakPolarHBondContact O-CA 3.38Å; L486-E507 HydrophobicContact CD1-CB 4.24Å; E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.2Å; E507-V509 PolarHBondContact O-N 3.25Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 2.68Å; E507-N517 PolarHBondContact O-OD1 3.11Å |
| 508 | C | 92.8 | Very high | 81.7 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 108.7 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | C464 Y481 P483 G484 A485 W516 | C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.5Å; C464-C508 PolarHBondContact N-SG 2.89Å; C464-C508 WeakPolarHBondContact SG-CA 3.49Å; C464-C508 WeakPolarHBondContact SG-CB 3.44Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.85Å; Y481-C508 PolarHBondContact O-SG 2.89Å; Y481-C508 VanDerWaalsContact O-SG 3.33Å; P483-C508 CarbonylContact C-O 3.59Å; P483-C508 WeakPolarHBondContact CA-O 3.3Å; G484-C508 PolarHBondContact N-O 2.89Å; A485-C508 HydrophobicContact CB-CB 4.37Å; A485-C508 PolarHBondContact O-N 2.98Å; C508-W516 HydrophobicContact CB-CE3 4.04Å; C508-W516 HydrophobicContact CB-CH2 4.01Å; C508-W516 HydrophobicContact CB-CZ3 3.71Å |
| 509 | V | 91.5 | Very high | 81.6 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 25% | 0.248 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 164.2 | -173.7 | -66.8 | 0 | 0 | 0 | 0 | 112 | E507 P514 H515 N517 | E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.2Å; E507-V509 PolarHBondContact O-N 3.25Å; V509-P514 WeakPolarHBondContact O-CA 3.44Å; V509-H515 VanDerWaalsContact CG2-O 3.25Å; V509-H515 WeakPolarHBondContact CG2-O 3.43Å; V509-H515 PolarHBondContact N-O 3.13Å; V509-H515 PolarHBondContact O-N 2.88Å; V509-N517 HydrophobicContact CG1-CB 4.03Å; V509-N517 HydrophobicContact CG2-CB 3.94Å |
| 510 | D | 86.8 | Confident | 82.1 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | trans | 64.3 | 116.4 | -174 | -156.6 | -64.1 | 0 | 0 | 0 | 115.2 | T512 E513 P514 | D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.98Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.34Å; D510-T512 WeakPolarHBondContact OD1-CB 3.38Å; D510-T512 PolarHBondContact OD1-N 3.03Å; D510-T512 PolarHBondContact OD1-OG1 3.49Å; D510-E513 PolarHBondContact OD1-N 2.9Å; D510-P514 WeakPolarHBondContact O-CA 3.16Å | ||
| 511 | P | 86.4 | Confident | 83.1 | Confident | 110 Ų | 110 | 59.1 Ų | 59.1 | 71% | 0.714 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -84.9 | 4.7 | 179 | 36.7 | -36.7 | 0 | 0 | 0 | 114 | P483 | P483-P511 HydrophobicContact CB-CB 4.4Š|
| 512 | T | 86.2 | Confident | 84.3 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -116.9 | -29.3 | 179.5 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | D510 | D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.98Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.34Å; D510-T512 WeakPolarHBondContact OD1-CB 3.38Å; D510-T512 PolarHBondContact OD1-N 3.03Å; D510-T512 PolarHBondContact OD1-OG1 3.49Å |
| 513 | E | 85.6 | Confident | 85.4 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -139.4 | 81.3 | 168.2 | -174.8 | 157 | -137.9 | 0 | 0 | 109.7 | D510 H515 | D510-E513 PolarHBondContact OD1-N 2.9Å; E513-H515 PolarHBondContact O-N 3.48Å; E513-H515 PolarHBondContact O-ND1 2.82Å |
| 514 | P | 88.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 17% | 0.169 | 30% | 0.304 | C | S | . | . | trans | -60.5 | 123.3 | -170.2 | -27 | 37.1 | 0 | 0 | 0 | 113.9 | P483 V509 D510 | P483-P514 HydrophobicContact CG-CB 4.14Å; P483-P514 HydrophobicContact CG-CG 3.9Å; V509-P514 WeakPolarHBondContact O-CA 3.44Å; D510-P514 WeakPolarHBondContact O-CA 3.16Å | ||
| 515 | H | 87.9 | Confident | 87.1 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 156.3 | 178.8 | 60.4 | -82.9 | 0 | 0 | 0 | 112.3 | C464 V509 E513 | C464-H515 PolarHBondContact SG-N 3.19Å; V509-H515 VanDerWaalsContact CG2-O 3.25Å; V509-H515 WeakPolarHBondContact CG2-O 3.43Å; V509-H515 PolarHBondContact N-O 3.13Å; V509-H515 PolarHBondContact O-N 2.88Å; E513-H515 PolarHBondContact O-N 3.48Å; E513-H515 PolarHBondContact O-ND1 2.82Å |
| 516 | W | 88.4 | Confident | 87 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.038 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 135.3 | 173.5 | -67.3 | 117.5 | 0 | 0 | 0 | 111.3 | C464 F465 P467 Y481 A487 I506 C508 | C464-W516 HydrophobicContact CB-CD2 4Å; C464-W516 VanDerWaalsContact CB-CE2 3.44Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.3Å; C464-W516 HydrophobicContact CB-CZ2 3.59Å; F465-W516 AromaticContact CD2-NE1 4Å; F465-W516 AromaticContact CE1-CD1 3.76Å; F465-W516 AromaticContact CE2-CD1 3.82Å; F465-W516 AromaticContact CE2-NE1 3.9Å; F465-W516 AromaticContact CZ-CD1 3.52Å; F465-W516 WeakPolarHBondContact O-CZ2 3.34Å; F465-W516 PolarHBondContact O-NE1 2.82Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CE1-CH2 4.46Å; Y481-W516 HydrophobicContact CE1-CZ2 4.49Å; Y481-W516 HydrophobicContact CG-CZ2 4.3Å; A487-W516 HydrophobicContact CB-CH2 3.98Å; A487-W516 HydrophobicContact CB-CZ3 4.25Å; I506-W516 HydrophobicContact CB-CE3 3.98Å; I506-W516 HydrophobicContact CD1-CB 4.1Å; I506-W516 HydrophobicContact CD1-CD2 3.53Å; I506-W516 HydrophobicContact CD1-CE3 3.65Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.29Å; I506-W516 HydrophobicContact CG1-CD2 3.94Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; C508-W516 HydrophobicContact CB-CE3 4.04Å; C508-W516 HydrophobicContact CB-CH2 4.01Å; C508-W516 HydrophobicContact CB-CZ3 3.71Å |
| 517 | N | 89.1 | Confident | 87 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -64.7 | -37.6 | 179.6 | 64 | -13.7 | 0 | 0 | 0 | 112.9 | I506 E507 V509 | I506-N517 WeakPolarHBondContact CA-OD1 3.27Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 2.68Å; E507-N517 PolarHBondContact O-OD1 3.11Å; V509-N517 HydrophobicContact CG1-CB 4.03Å; V509-N517 HydrophobicContact CG2-CB 3.94Å |
| 518 | D | 84.9 | Confident | 86.9 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -133 | 178.6 | 179.3 | -140.5 | -17.8 | 0 | 0 | 0 | 112 | R428 I506 | R428-D518 IonicContact NH2-OD1 3.77Å; I506-D518 HydrophobicContact CG2-CB 3.97Å |
| 519 | T | 80.5 | Confident | 86.8 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 157.1 | 176.5 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | R428 I506 | R428-T519 HydrophobicContact CG-CG2 3.58Å; I506-T519 WeakPolarHBondContact CG2-O 3.31Å |
| 520 | E | 82.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 133.4 | 162.2 | -61.1 | 97.3 | 134.2 | 0 | 0 | 111.3 | F465 P467 F489 I506 | F465-E520 WeakPolarHBondContact CE2-OE1 3.05Å; P467-E520 WeakPolarHBondContact CA-OE1 3.31Å; P467-E520 HydrophobicContact CB-CG 3.48Å; P467-E520 VanDerWaalsContact CB-CG 3.48Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.18Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 3.99Å; I506-E520 HydrophobicContact CD1-CG 4.25Å |
| 521 | P | 85.1 | Confident | 86.9 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 153.8 | 172.3 | 32.1 | -35.2 | 0 | 0 | 0 | 111.1 | L469 F489 L497 | L469-P521 WeakPolarHBondContact CD1-O 3.32Å; F489-P521 HydrophobicContact CB-CG 3.85Å; F489-P521 HydrophobicContact CD1-CG 4.25Å; F489-P521 VanDerWaalsContact CD2-CD 3.46Å; F489-P521 HydrophobicContact CD2-CG 3.64Å; F489-P521 HydrophobicContact CE2-CG 4.24Å; F489-P521 HydrophobicContact CG-CG 3.65Å; L497-P521 HydrophobicContact CD2-CB 4.01Å; L497-P521 HydrophobicContact CD2-CG 3.83Å |
| 522 | A | 83.1 | Confident | 87.2 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 140.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L497 E498 | L497-A522 CarbonylContact C-O 3.56Å; L497-A522 WeakPolarHBondContact CA-O 3.41Å; E498-A522 PolarHBondContact N-O 2.87Å; E498-A522 PolarHBondContact O-N 2.96Å |
| 523 | C | 87.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116 | 165.8 | -71.7 | 0 | 0 | 0 | 0 | 110.2 | L469 A470 H471 C491 A496 | L469-C523 HydrophobicContact CD1-CB 4.44Å; A470-C523 WeakPolarHBondContact O-CB 3.26Å; H471-C523 HydrophobicContact CB-CB 4.48Å; C491-C523 WeakPolarHBondContact CA-SG 3.46Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.41Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.83Å; A496-C523 WeakPolarHBondContact O-CA 3.36Å |
| 524 | K | 85.5 | Confident | 87.5 | Confident | 89 Ų | 89 | 55 Ų | 55 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.9 | 176.7 | -67.6 | -170.1 | -170.4 | 160.1 | 0 | 112.6 | Y495 A496 E498 M526 | Y495-K524 WeakPolarHBondContact CA-O 3.48Å; A496-K524 PolarHBondContact N-O 2.87Å; A496-K524 PolarHBondContact O-N 3.45Å; E498-K524 WeakPolarHBondContact OE2-CD 3.35Å; E498-K524 WeakPolarHBondContact OE2-CE 3.48Å; E498-K524 IonicContact OE2-NZ 2.71Å; E498-K524 PolarHBondContact OE2-NZ 2.94Å; K524-M526 PolarHBondContact O-N 2.89Å |
| 525 | A | 89.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.033 | 33% | 0.328 | C | S | . | . | trans | -76.4 | 108.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y495 L539 S540 P541 D542 W543 | Y495-A525 HydrophobicContact CD1-CB 4.46Å; Y495-A525 HydrophobicContact CE1-CB 4.48Å; A525-L539 HydrophobicContact CB-CB 3.88Å; A525-L539 HydrophobicContact CB-CD1 4.13Å; A525-S540 WeakPolarHBondContact CB-O 3.31Å; A525-P541 WeakPolarHBondContact O-CA 3.45Å; A525-D542 PolarHBondContact O-N 3.35Å; A525-W543 HydrophobicContact CB-CB 4.19Å | ||
| 526 | M | 86.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | trans | -78.7 | 142.1 | -171.2 | -62.7 | -64.9 | -82 | 0 | 0 | 112.9 | A496 K524 G528 W555 | A496-M526 HydrophobicContact CB-CG 3.69Å; K524-M526 PolarHBondContact O-N 2.89Å; M526-G528 PolarHBondContact O-N 3.31Å; M526-G528 VanDerWaalsContact O-N 3.08Å; M526-W555 WeakPolarHBondContact O-CZ2 3.2Å; M526-W555 PolarHBondContact O-NE1 3.21Å | ||
| 527 | C | 89.7 | Confident | 88.1 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -74 | 94 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | P541 Q551 C553 | C527-P541 HydrophobicContact CB-CB 4.45Å; C527-P541 HydrophobicContact CB-CG 4.05Å; C527-Q551 PolarHBondContact SG-OE1 3.24Å; C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.06Å; C527-C553 WeakPolarHBondContact CB-SG 3.35Å; C527-C553 WeakPolarHBondContact SG-CA 3.14Å; C527-C553 WeakPolarHBondContact SG-CB 3.42Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.99Å |
| 528 | G | 88.9 | Confident | 88.3 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 85.7 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | M526 V554 W555 | M526-G528 PolarHBondContact O-N 3.31Å; M526-G528 VanDerWaalsContact O-N 3.08Å; G528-V554 CarbonylContact C-O 3.56Å; G528-V554 WeakPolarHBondContact CA-O 3.1Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.28Å |
| 529 | G | 89.4 | Confident | 88.7 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.6 | 170.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V554 W555 G556 | G529-V554 PolarHBondContact N-O 2.85Å; G529-V554 VanDerWaalsContact N-O 3.09Å; G529-W555 CarbonylContact O-C 3.59Å; G529-W555 WeakPolarHBondContact O-CA 3.21Å; G529-G556 PolarHBondContact O-N 2.84Å |
| 530 | E | 90.9 | Very high | 89.1 | Confident | 146 Ų | 146 | 45.8 Ų | 45.8 | 68% | 0.682 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.9 | 176.7 | -67.5 | -56.2 | 144.8 | 0 | 0 | 111.2 | G556 | E530-G556 WeakPolarHBondContact OE2-CA 3.4Å |
| 531 | L | 90.9 | Very high | 89.4 | Confident | 50 Ų | 50 | 44.6 Ų | 44.6 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 110.8 | -173.6 | -60.9 | 173.8 | 0 | 0 | 0 | 110.5 | V538 G556 V557 H558 F635 | L531-V538 HydrophobicContact CD1-CG2 3.54Å; L531-G556 PolarHBondContact N-O 3.33Å; L531-V557 HydrophobicContact CB-CG1 4.47Å; L531-V557 HydrophobicContact CB-CG2 4.41Å; L531-V557 HydrophobicContact CD1-CG2 4.31Å; L531-V557 WeakPolarHBondContact O-CA 3.38Å; L531-H558 PolarHBondContact O-N 3.45Å; L531-F635 HydrophobicContact CB-CZ 4.09Å; L531-F635 HydrophobicContact CD1-CE1 4.04Å; L531-F635 HydrophobicContact CD1-CZ 4.42Å |
| 532 | S | 91.4 | Very high | 89.2 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | trans | -112 | 11.2 | -174.7 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | H558 | S532-H558 WeakPolarHBondContact CA-O 3.49Š| ||
| 533 | E | 89.5 | Confident | 89.2 | Confident | 121 Ų | 121 | 46 Ų | 46 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -78.4 | 149 | -179.6 | -67.2 | -61.5 | 153.2 | 0 | 0 | 112.2 | A535 F635 | E533-A535 PolarHBondContact O-N 2.87Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å |
| 534 | P | 89.7 | Confident | 88.5 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -68.1 | -18.6 | 178.5 | 29.1 | -35.6 | 0 | 0 | 0 | 113 | K636 E637 | P534-K636 CarbonylContact O-C 3.45Å; P534-K636 WeakPolarHBondContact O-CA 3.4Å; P534-E637 HydrophobicContact CB-CG 4.07Å; P534-E637 PolarHBondContact O-N 2.95Å |
| 535 | A | 92.8 | Very high | 88 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 49% | 0.488 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 149.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E533 F635 K636 | E533-A535 PolarHBondContact O-N 2.87Å; A535-F635 VanDerWaalsContact CA-O 3.3Å; A535-F635 WeakPolarHBondContact CA-O 3.5Å; A535-K636 HydrophobicContact CB-CB 3.74Å |
| 536 | G | 91.6 | Very high | 87.2 | Confident | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -169.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F635 | G536-F635 VanDerWaalsContact C-CD1 3.47Å; G536-F635 VanDerWaalsContact CA-CE1 3.41Å; G536-F635 PolarHBondContact N-O 3.14Å; G536-F635 WeakPolarHBondContact O-CD1 3.29Å; G536-F635 PolarHBondContact O-N 2.89Å |
| 537 | V | 93.4 | Very high | 87 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.9 | -178.1 | -164.9 | 0 | 0 | 0 | 0 | 108.8 | P493 G494 L539 V632 L633 | P493-V537 HydrophobicContact CB-CG2 4.11Å; G494-V537 VanDerWaalsContact CA-O 3.32Å; G494-V537 WeakPolarHBondContact CA-O 3.26Å; V537-L539 HydrophobicContact CG1-CD2 3.71Å; V537-L539 HydrophobicContact CG1-CG 4.26Å; V537-V632 HydrophobicContact CG1-CG1 3.96Å; V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.37Å |
| 538 | V | 93.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.2 | 169.3 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | L531 W555 L614 F631 L633 F635 | L531-V538 HydrophobicContact CD1-CG2 3.54Å; V538-W555 HydrophobicContact CG1-CB 4.46Å; V538-W555 HydrophobicContact CG1-CD2 3.68Å; V538-W555 HydrophobicContact CG1-CE3 4.25Å; V538-W555 HydrophobicContact CG1-CG 3.79Å; V538-W555 HydrophobicContact CG1-CZ2 4.34Å; V538-L614 HydrophobicContact CB-CD1 3.97Å; V538-L614 HydrophobicContact CG1-CD1 3.9Å; V538-L614 HydrophobicContact CG2-CD1 3.66Å; V538-F631 HydrophobicContact CG1-CE2 4.45Å; V538-L633 HydrophobicContact CB-CB 4.35Å; V538-L633 HydrophobicContact CB-CD1 4.46Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.38Å; V538-F635 HydrophobicContact CG2-CD1 4.05Å; V538-F635 HydrophobicContact CG2-CE1 4.1Å |
| 539 | L | 91.4 | Very high | 86.1 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 155.2 | -175.1 | -58.1 | 176.2 | 0 | 0 | 0 | 109.2 | Y495 A525 V537 W543 W555 F631 V632 | Y495-L539 HydrophobicContact CD2-CD1 3.78Å; Y495-L539 HydrophobicContact CE1-CD1 4.21Å; Y495-L539 HydrophobicContact CE2-CD1 3.36Å; Y495-L539 HydrophobicContact CG-CD1 4.36Å; A525-L539 HydrophobicContact CB-CB 3.88Å; A525-L539 HydrophobicContact CB-CD1 4.13Å; V537-L539 HydrophobicContact CG1-CD2 3.71Å; V537-L539 HydrophobicContact CG1-CG 4.26Å; L539-W543 HydrophobicContact CB-CB 4.06Å; L539-W543 HydrophobicContact CB-CG 4.35Å; L539-W543 HydrophobicContact CD2-CG 4.36Å; L539-W555 WeakPolarHBondContact O-CZ2 3.4Å; L539-F631 VanDerWaalsContact C-CE2 3.46Å; L539-F631 WeakPolarHBondContact CA-O 3.3Å; L539-V632 HydrophobicContact CD2-CB 4.33Å; L539-V632 HydrophobicContact CD2-CG1 3.99Å; L539-V632 HydrophobicContact CD2-CG2 3.94Å |
| 540 | S | 89.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -64.2 | 153.4 | 163.7 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | A525 W543 G630 F631 | A525-S540 WeakPolarHBondContact CB-O 3.31Å; S540-W543 VanDerWaalsContact O-CB 3.22Å; S540-W543 WeakPolarHBondContact O-CB 3.06Å; S540-W543 PolarHBondContact O-N 2.95Å; S540-G630 WeakPolarHBondContact OG-CA 3.46Å; S540-F631 PolarHBondContact N-O 3.29Å; S540-F631 VanDerWaalsContact N-O 3.08Å; S540-F631 PolarHBondContact OG-N 2.84Å; S540-F631 VanDerWaalsContact OG-N 3.17Å | ||
| 541 | P | 88.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 143.3 | 173.6 | -25.8 | 34.5 | 0 | 0 | 0 | 111.7 | A525 C527 W543 C553 | A525-P541 WeakPolarHBondContact O-CA 3.45Å; C527-P541 HydrophobicContact CB-CB 4.45Å; C527-P541 HydrophobicContact CB-CG 4.05Å; P541-W543 PolarHBondContact O-N 2.95Å; P541-C553 WeakPolarHBondContact CG-SG 3.48Å |
| 542 | D | 81.7 | Confident | 85.5 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 2.5 | 177.5 | -47.8 | -57.7 | 0 | 0 | 0 | 116 | A525 Q545 | A525-D542 PolarHBondContact O-N 3.35Å; D542-Q545 HydrophobicContact CB-CB 4.12Å; D542-Q545 WeakPolarHBondContact O-CA 3.23Å; D542-Q545 WeakPolarHBondContact O-CB 3.34Å; D542-Q545 VanDerWaalsContact O-CG 3.24Å; D542-Q545 WeakPolarHBondContact O-CG 3.37Å; D542-Q545 PolarHBondContact O-N 2.81Å |
| 543 | W | 83.1 | Confident | 85.6 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 134.6 | 179.6 | -178.5 | -89.6 | 0 | 0 | 0 | 111.9 | Y495 A525 L539 S540 P541 I571 V632 | Y495-W543 VanDerWaalsContact CE1-O 3.27Å; Y495-W543 WeakPolarHBondContact CE1-O 3.42Å; Y495-W543 PolarHBondContact OH-O 2.87Å; A525-W543 HydrophobicContact CB-CB 4.19Å; L539-W543 HydrophobicContact CB-CB 4.06Å; L539-W543 HydrophobicContact CB-CG 4.35Å; L539-W543 HydrophobicContact CD2-CG 4.36Å; S540-W543 VanDerWaalsContact O-CB 3.22Å; S540-W543 WeakPolarHBondContact O-CB 3.06Å; S540-W543 PolarHBondContact O-N 2.95Å; P541-W543 PolarHBondContact O-N 2.95Å; W543-I571 HydrophobicContact CH2-CD1 4.04Å; W543-I571 HydrophobicContact CH2-CG2 4.14Å; W543-I571 HydrophobicContact CZ2-CD1 3.96Å; W543-V632 HydrophobicContact CD2-CG2 4.17Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CH2-CG2 4.09Å; W543-V632 HydrophobicContact CZ2-CG2 3.45Å; W543-V632 VanDerWaalsContact CZ2-CG2 3.45Å |
| 544 | P | 72.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 36.4 Ų | 36.4 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.9 | 5.5 | 12 | 34.5 | -38.1 | 0 | 0 | 0 | 116.2 | H471 G628 | H471-P544 VanDerWaalsContact NE2-CD 3.32Å; H471-P544 WeakPolarHBondContact NE2-CD 3.48Å; P544-G628 PolarHBondContact O-N 2.93Å |
| 545 | Q | 74.2 | Confident | 86 | Confident | 72 Ų | 72 | 33.9 Ų | 33.9 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -69.3 | 168.1 | 171.8 | -46.6 | -69.6 | 44.7 | 0 | 0 | 111.2 | D542 | D542-Q545 HydrophobicContact CB-CB 4.12Å; D542-Q545 WeakPolarHBondContact O-CA 3.23Å; D542-Q545 WeakPolarHBondContact O-CB 3.34Å; D542-Q545 VanDerWaalsContact O-CG 3.24Å; D542-Q545 WeakPolarHBondContact O-CG 3.37Å; D542-Q545 PolarHBondContact O-N 2.81Å |
| 546 | S | 72.9 | Confident | 86.1 | Confident | 35 Ų | 35 | 31.2 Ų | 31.2 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 129 | 163.8 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | N624 | S546-N624 WeakPolarHBondContact CB-O 3.42Å; S546-N624 PolarHBondContact OG-O 3.39Å |
| 547 | Y | 82.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 143.7 | 170.5 | 46.7 | -84.7 | 0 | 0 | 0 | 111 | V574 R575 D578 F616 A618 Q629 | Y547-V574 WeakPolarHBondContact OH-CA 3.45Å; Y547-R575 PolarHBondContact OH-N 2.92Å; Y547-D578 WeakPolarHBondContact CE2-OD2 3.36Å; Y547-D578 PolarHBondContact OH-OD2 2.88Å; Y547-F616 HydrophobicContact CD1-CE1 4.46Å; Y547-F616 HydrophobicContact CD1-CZ 4.38Å; Y547-F616 AromaticContact CD2-CE1 3.81Å; Y547-F616 HydrophobicContact CD2-CE1 3.81Å; Y547-F616 AromaticContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CE1-CZ 4.28Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.69Å; Y547-F616 HydrophobicContact CE2-CZ 3.69Å; Y547-F616 AromaticContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.97Å; Y547-A618 HydrophobicContact CD2-CB 4.19Å; Y547-A618 HydrophobicContact CE2-CB 4.18Å; Y547-Q629 VanDerWaalsContact CE1-O 3.26Å; Y547-Q629 WeakPolarHBondContact CE1-O 3.32Å |
| 548 | S | 79.1 | Confident | 86.3 | Confident | 60 Ų | 60 | 33.1 Ų | 33.1 | 42% | 0.42 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -60.6 | 149.4 | 172.9 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | Q551 | S548-Q551 WeakPolarHBondContact O-CG 3.39Š|
| 549 | P | 79.3 | Confident | 86.2 | Confident | 45 Ų | 45 | 33.2 Ų | 33.2 | 29% | 0.292 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 149.9 | 173.8 | 30.9 | -34.6 | 0 | 0 | 0 | 111.6 | G621 | P549-G621 WeakPolarHBondContact CB-O 3.48Å; P549-G621 VanDerWaalsContact CG-O 3.32Å; P549-G621 WeakPolarHBondContact CG-O 3.49Å |
| 550 | G | 82.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 13.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A618 P619 | G550-A618 CarbonylContact C-O 3.49Å; G550-A618 WeakPolarHBondContact CA-O 3.42Å; G550-A618 PolarHBondContact N-O 3.35Å; G550-P619 PolarHBondContact N-O 3.45Å |
| 551 | Q | 86 | Confident | 85.8 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | trans | -78 | 139.8 | 179.8 | -65.9 | -75.2 | 15.2 | 0 | 0 | 112.4 | C527 S548 A618 | C527-Q551 PolarHBondContact SG-OE1 3.24Å; S548-Q551 WeakPolarHBondContact O-CG 3.39Å; Q551-A618 HydrophobicContact CB-CB 4.46Å; Q551-A618 PolarHBondContact N-O 2.83Å; Q551-A618 PolarHBondContact O-N 2.86Å | ||
| 552 | D | 90.8 | Very high | 85.3 | Confident | 93 Ų | 93 | 50 Ų | 50 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 96.3 | 165.9 | -171.4 | 8.9 | 0 | 0 | 0 | 108.5 | Q615 F616 Q617 | D552-Q615 PolarHBondContact OD1-NE2 2.89Å; D552-Q615 PolarHBondContact OD2-NE2 3.07Å; D552-F616 CarbonylContact C-O 3.55Å; D552-F616 WeakPolarHBondContact CA-O 3.42Å; D552-Q617 HydrophobicContact CB-CG 4.5Å; D552-Q617 VanDerWaalsContact OD1-CG 3.26Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.45Å |
| 553 | C | 92.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.3 | -171 | -53 | 0 | 0 | 0 | 0 | 110.4 | C527 P541 W555 Q615 F616 | C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.06Å; C527-C553 WeakPolarHBondContact CB-SG 3.35Å; C527-C553 WeakPolarHBondContact SG-CA 3.14Å; C527-C553 WeakPolarHBondContact SG-CB 3.42Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.99Å; P541-C553 WeakPolarHBondContact CG-SG 3.48Å; C553-W555 HydrophobicContact CB-CE3 4.3Å; C553-W555 HydrophobicContact CB-CH2 3.32Å; C553-W555 HydrophobicContact CB-CZ2 3.92Å; C553-W555 HydrophobicContact CB-CZ3 3.54Å; C553-Q615 CarbonylContact O-C 3.56Å; C553-Q615 VanDerWaalsContact O-CA 3.31Å; C553-Q615 WeakPolarHBondContact O-CA 3.41Å; C553-F616 PolarHBondContact N-O 2.04Å; C553-F616 PolarHBondContact O-N 2.83Å |
| 554 | V | 94.2 | Very high | 85.6 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 33% | 0.333 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.6 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | G528 G529 T613 L614 Q615 | G528-V554 CarbonylContact C-O 3.56Å; G528-V554 WeakPolarHBondContact CA-O 3.1Å; G529-V554 PolarHBondContact N-O 2.85Å; G529-V554 VanDerWaalsContact N-O 3.09Å; V554-T613 HydrophobicContact CG1-CG2 3.77Å; V554-L614 CarbonylContact C-O 3.46Å; V554-L614 WeakPolarHBondContact CA-O 3.49Å; V554-Q615 HydrophobicContact CG2-CB 4.33Å; V554-Q615 HydrophobicContact CG2-CG 3.93Å |
| 555 | W | 94.7 | Very high | 86.5 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.6 | 171.3 | -57.4 | -98.2 | 0 | 0 | 0 | 110.1 | M526 G528 G529 V538 L539 C553 L614 F616 F631 | M526-W555 WeakPolarHBondContact O-CZ2 3.2Å; M526-W555 PolarHBondContact O-NE1 3.21Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.28Å; G529-W555 CarbonylContact O-C 3.59Å; G529-W555 WeakPolarHBondContact O-CA 3.21Å; V538-W555 HydrophobicContact CG1-CB 4.46Å; V538-W555 HydrophobicContact CG1-CD2 3.68Å; V538-W555 HydrophobicContact CG1-CE3 4.25Å; V538-W555 HydrophobicContact CG1-CG 3.79Å; V538-W555 HydrophobicContact CG1-CZ2 4.34Å; L539-W555 WeakPolarHBondContact O-CZ2 3.4Å; C553-W555 HydrophobicContact CB-CE3 4.3Å; C553-W555 HydrophobicContact CB-CH2 3.32Å; C553-W555 HydrophobicContact CB-CZ2 3.92Å; C553-W555 HydrophobicContact CB-CZ3 3.54Å; W555-L614 HydrophobicContact CB-CB 4.29Å; W555-L614 HydrophobicContact CB-CD1 4.22Å; W555-L614 HydrophobicContact CB-CG 4.47Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 2.76Å; W555-L614 PolarHBondContact O-N 2.9Å; W555-F616 HydrophobicContact CH2-CB 4.14Å; W555-F616 HydrophobicContact CZ3-CB 3.75Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.73Å; W555-F631 HydrophobicContact CH2-CZ 3.73Å; W555-F631 AromaticContact CZ3-CZ 3.97Å; W555-F631 HydrophobicContact CZ3-CZ 3.97Å |
| 556 | G | 94.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | G529 E530 L531 | G529-G556 PolarHBondContact O-N 2.84Å; E530-G556 WeakPolarHBondContact OE2-CA 3.4Å; L531-G556 PolarHBondContact N-O 3.33Å |
| 557 | V | 94.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 108.4 | L531 I565 D611 L612 L614 F635 | L531-V557 HydrophobicContact CB-CG1 4.47Å; L531-V557 HydrophobicContact CB-CG2 4.41Å; L531-V557 HydrophobicContact CD1-CG2 4.31Å; L531-V557 WeakPolarHBondContact O-CA 3.38Å; V557-I565 HydrophobicContact CB-CD1 4.01Å; V557-I565 HydrophobicContact CG1-CD1 3.71Å; V557-I565 WeakPolarHBondContact O-CD1 3.4Å; V557-D611 CarbonylContact O-C 3.58Å; V557-D611 WeakPolarHBondContact O-CA 3.46Å; V557-L612 HydrophobicContact CB-CB 4.4Å; V557-L612 WeakPolarHBondContact CB-O 3.17Å; V557-L612 PolarHBondContact N-O 2.72Å; V557-L612 PolarHBondContact O-N 2.95Å; V557-L614 HydrophobicContact CG2-CD1 4.01Å; V557-L614 HydrophobicContact CG2-CG 4.27Å; V557-F635 HydrophobicContact CG1-CD1 4.43Å; V557-F635 HydrophobicContact CG1-CD2 3.53Å; V557-F635 HydrophobicContact CG1-CE1 4.38Å; V557-F635 HydrophobicContact CG1-CE2 3.46Å; V557-F635 VanDerWaalsContact CG1-CE2 3.46Å; V557-F635 HydrophobicContact CG1-CG 4.03Å; V557-F635 HydrophobicContact CG1-CZ 3.92Å |
| 558 | H | 94.1 | Very high | 88.8 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129 | -177.7 | 174.2 | 80.5 | 0 | 0 | 0 | 109.5 | L531 S532 D611 | L531-H558 PolarHBondContact O-N 3.45Å; S532-H558 WeakPolarHBondContact CA-O 3.49Å; H558-D611 IonicContact CE1-OD1 2.72Å; H558-D611 IonicContact CG-OD1 3.72Å; H558-D611 IonicContact ND1-OD1 2.75Å; H558-D611 PolarHBondContact ND1-OD1 3.36Å |
| 559 | V | 92.7 | Very high | 89.3 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | trans | -119.2 | 179.8 | 172 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | E561 K563 I565 P610 E637 | V559-E561 PolarHBondContact O-N 2.99Å; V559-K563 HydrophobicContact CG2-CB 3.9Å; V559-I565 HydrophobicContact CB-CG1 4.37Å; V559-I565 HydrophobicContact CG1-CD1 4.19Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.25Å; V559-I565 HydrophobicContact CG2-CG1 3.61Å; V559-P610 HydrophobicContact CG2-CB 4.31Å; V559-P610 WeakPolarHBondContact CG2-O 3.49Å; V559-P610 PolarHBondContact N-O 3.25Å; V559-P610 WeakPolarHBondContact O-CB 3.16Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.33Å | ||
| 560 | Q | 88.9 | Confident | 89.6 | Confident | 100 Ų | 100 | 44.9 Ų | 44.9 | 47% | 0.467 | 23% | 0.229 | S | C | . | . | trans | -52 | 136.1 | 177.7 | -62.7 | 166.5 | 51.3 | 0 | 0 | 112.1 | E562 K563 E637 | Q560-E562 PolarHBondContact O-N 3.19Å; Q560-K563 HydrophobicContact CB-CG 3.77Å; Q560-K563 VanDerWaalsContact O-CB 3.3Å; Q560-K563 WeakPolarHBondContact O-CB 3.36Å; Q560-K563 WeakPolarHBondContact O-CG 3.21Å; Q560-K563 PolarHBondContact O-N 3.35Å; Q560-E637 PolarHBondContact NE2-OE1 3.31Å; Q560-E637 PolarHBondContact NE2-OE2 3.43Å | ||
| 561 | E | 83.7 | Confident | 89.6 | Confident | 127 Ų | 127 | 45.8 Ų | 45.8 | 59% | 0.593 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | -38.8 | -174.4 | -67.2 | -78.7 | -178.2 | 0 | 0 | 114.8 | V559 K563 | V559-E561 PolarHBondContact O-N 2.99Å; E561-K563 VanDerWaalsContact C-N 3.28Å; E561-K563 PolarHBondContact O-N 3.43Å |
| 562 | E | 76.4 | Confident | 89.6 | Confident | 137 Ų | 137 | 43.8 Ų | 43.8 | 64% | 0.64 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.1 | -179 | -59.4 | 78.4 | -170 | 0 | 0 | 114.5 | Q560 | Q560-E562 PolarHBondContact O-N 3.19Š|
| 563 | K | 83.8 | Confident | 89.1 | Confident | 57 Ų | 57 | 42.2 Ų | 42.2 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 178.6 | -176.9 | -51.5 | -61.3 | -175.6 | -164.7 | 0 | 112.4 | V559 Q560 E561 E637 | V559-K563 HydrophobicContact CG2-CB 3.9Å; Q560-K563 HydrophobicContact CB-CG 3.77Å; Q560-K563 VanDerWaalsContact O-CB 3.3Å; Q560-K563 WeakPolarHBondContact O-CB 3.36Å; Q560-K563 WeakPolarHBondContact O-CG 3.21Å; Q560-K563 PolarHBondContact O-N 3.35Å; E561-K563 VanDerWaalsContact C-N 3.28Å; E561-K563 PolarHBondContact O-N 3.43Å; K563-E637 HydrophobicContact CB-CB 4.22Å; K563-E637 HydrophobicContact CG-CB 4.28Å |
| 564 | R | 88.2 | Confident | 88.5 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.8 | 164.8 | -77.1 | 173.2 | 174 | 148.2 | 12 | 108.7 | L606 S607 S608 E637 V638 R640 N641 D642 | R564-L606 HydrophobicContact CB-CD1 4.2Å; R564-S607 WeakPolarHBondContact CD-O 3.15Å; R564-S607 WeakPolarHBondContact CG-O 3.41Å; R564-S608 PolarHBondContact NE-O 2.94Å; R564-S608 PolarHBondContact NH2-O 2.84Å; R564-S608 VanDerWaalsContact NH2-O 3.15Å; R564-E637 CarbonylContact O-C 3.58Å; R564-E637 WeakPolarHBondContact O-CA 3.25Å; R564-V638 HydrophobicContact CB-CG2 4.13Å; R564-V638 PolarHBondContact N-O 2.81Å; R564-V638 VanDerWaalsContact O-CG2 3.31Å; R564-V638 WeakPolarHBondContact O-CG2 3.47Å; R564-V638 PolarHBondContact O-N 2.99Å; R564-R640 HydrophobicContact CG-CG 4.16Å; R564-R640 VanDerWaalsContact CZ-CG 3.41Å; R564-N641 VanDerWaalsContact NH1-N 3.17Å; R564-N641 PolarHBondContact NH1-O 3.3Å; R564-D642 IonicContact CZ-OD1 2.99Å; R564-D642 VanDerWaalsContact CZ-OD1 3.26Å; R564-D642 IonicContact CZ-OD2 3.24Å; R564-D642 IonicContact NH1-OD1 2.78Å; R564-D642 PolarHBondContact NH1-OD1 3.48Å; R564-D642 VanDerWaalsContact NH2-CG 3.34Å; R564-D642 IonicContact NH2-OD1 3.27Å; R564-D642 PolarHBondContact NH2-OD1 3.04Å; R564-D642 IonicContact NH2-OD2 3.78Å; R564-D642 PolarHBondContact NH2-OD2 2.95Å |
| 565 | I | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124 | 175.2 | -60.6 | 170.7 | 0 | 0 | 0 | 109 | V557 V559 L606 S607 P610 L612 F635 | V557-I565 HydrophobicContact CB-CD1 4.01Å; V557-I565 HydrophobicContact CG1-CD1 3.71Å; V557-I565 WeakPolarHBondContact O-CD1 3.4Å; V559-I565 HydrophobicContact CB-CG1 4.37Å; V559-I565 HydrophobicContact CG1-CD1 4.19Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.25Å; V559-I565 HydrophobicContact CG2-CG1 3.61Å; I565-L606 WeakPolarHBondContact O-CA 3.34Å; I565-S607 PolarHBondContact N-OG 3.5Å; I565-S607 PolarHBondContact O-N 3.03Å; I565-P610 WeakPolarHBondContact CD1-O 3.47Å; I565-L612 HydrophobicContact CB-CB 4.39Å; I565-L612 HydrophobicContact CB-CD2 4.23Å; I565-L612 HydrophobicContact CD1-CB 3.55Å; I565-L612 HydrophobicContact CG2-CD2 3.68Å; I565-F635 HydrophobicContact CG2-CB 3.92Å |
| 566 | L | 91.9 | Very high | 86.5 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.1 | 165.3 | -176.1 | 78.3 | 0 | 0 | 0 | 108.9 | R604 L606 F635 K636 V638 | L566-R604 HydrophobicContact CD1-CB 4.37Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.07Å; L566-F635 WeakPolarHBondContact O-CA 3.31Å; L566-K636 HydrophobicContact CB-CG 4.33Å; L566-K636 PolarHBondContact N-O 2.84Å; L566-K636 PolarHBondContact O-N 2.75Å; L566-K636 VanDerWaalsContact O-N 3.1Å; L566-V638 HydrophobicContact CB-CG1 3.77Å; L566-V638 HydrophobicContact CB-CG2 3.96Å; L566-V638 HydrophobicContact CD2-CG1 4.31Å |
| 567 | L | 93.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.5 | 173 | -167.2 | 74.4 | 0 | 0 | 0 | 109.8 | L582 R604 L605 L612 L614 L633 H634 F635 | L567-L582 HydrophobicContact CD2-CD1 3.76Å; L567-L582 HydrophobicContact CD2-CD2 3.87Å; L567-L582 HydrophobicContact CD2-CG 4.46Å; L567-R604 CarbonylContact O-C 3.42Å; L567-R604 WeakPolarHBondContact O-CA 3.48Å; L567-L605 HydrophobicContact CB-CB 4.43Å; L567-L605 PolarHBondContact N-O 2.78Å; L567-L605 PolarHBondContact O-N 2.83Å; L567-L612 HydrophobicContact CB-CD2 4.16Å; L567-L612 HydrophobicContact CD1-CD2 4.24Å; L567-L612 HydrophobicContact CD2-CD2 4.35Å; L567-L612 HydrophobicContact CG-CD2 4.49Å; L567-L614 HydrophobicContact CD2-CD2 4.16Å; L567-L633 HydrophobicContact CD1-CB 4.04Å; L567-H634 CarbonylContact C-O 3.59Å; L567-F635 HydrophobicContact CD1-CB 3.85Å |
| 568 | Q | 91.3 | Very high | 85.1 | Confident | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.229 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.6 | 173 | -176.4 | 177.1 | -80.5 | 0 | 0 | 109.9 | E570 R604 H634 | Q568-E570 PolarHBondContact O-N 3.39Å; Q568-R604 HydrophobicContact CB-CG 4.24Å; Q568-R604 HydrophobicContact CG-CG 4.09Å; Q568-R604 VanDerWaalsContact OE1-CZ 3.31Å; Q568-H634 PolarHBondContact N-O 2.79Å; Q568-H634 PolarHBondContact O-N 3.45Å |
| 569 | V | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 112.5 | 169.5 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | L572 L596 R602 R603 L633 | V569-L572 HydrophobicContact CG1-CB 3.82Å; V569-L596 HydrophobicContact CG2-CD1 3.9Å; V569-R602 WeakPolarHBondContact O-CA 3.44Å; V569-R603 PolarHBondContact N-O 2.75Å; V569-R603 PolarHBondContact O-N 3.11Å; V569-L633 HydrophobicContact CB-CD2 4.28Å; V569-L633 HydrophobicContact CG1-CD2 4.14Å; V569-L633 HydrophobicContact CG2-CD2 3.94Å |
| 570 | E | 85.8 | Confident | 84.8 | Confident | 58 Ų | 58 | 51.7 Ų | 51.7 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -48.1 | 176.1 | 175.9 | 98 | -161.3 | 0 | 0 | 110.3 | Q568 R602 V632 | Q568-E570 PolarHBondContact O-N 3.39Å; E570-R602 VanDerWaalsContact CD-CZ 3.46Å; E570-R602 VanDerWaalsContact CD-NH2 3.34Å; E570-R602 WeakPolarHBondContact O-CG 3.45Å; E570-R602 PolarHBondContact O-NE 3.34Å; E570-R602 IonicContact OE1-CZ 2.63Å; E570-R602 IonicContact OE1-NH1 3.38Å; E570-R602 PolarHBondContact OE1-NH1 3.45Å; E570-R602 IonicContact OE1-NH2 3.78Å; E570-R602 PolarHBondContact OE1-NH2 3.12Å; E570-R602 IonicContact OE2-CZ 3.22Å; E570-R602 IonicContact OE2-NH1 3.17Å; E570-R602 PolarHBondContact OE2-NH1 3.43Å; E570-V632 HydrophobicContact CB-CB 4.35Å; E570-V632 HydrophobicContact CB-CG1 4.27Å; E570-V632 PolarHBondContact N-O 2.8Å |
| 571 | I | 83.1 | Confident | 85 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 33% | 0.333 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.7 | 176.3 | -56.7 | 178.5 | 0 | 0 | 0 | 108.1 | W543 N573 F631 V632 | W543-I571 HydrophobicContact CH2-CD1 4.04Å; W543-I571 HydrophobicContact CH2-CG2 4.14Å; W543-I571 HydrophobicContact CZ2-CD1 3.96Å; I571-N573 HydrophobicContact CG2-CB 4.39Å; I571-F631 VanDerWaalsContact O-CA 3.3Å; I571-F631 WeakPolarHBondContact O-CA 3.46Å; I571-F631 WeakPolarHBondContact O-CB 3.46Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.16Å; I571-V632 HydrophobicContact CD1-CG2 4.09Å; I571-V632 HydrophobicContact CG1-CB 4.39Å; I571-V632 HydrophobicContact CG1-CG2 4.38Å; I571-V632 PolarHBondContact N-O 3.41Å; I571-V632 PolarHBondContact O-N 2.88Å |
| 572 | L | 84.6 | Confident | 85.5 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 114.5 | 164.8 | -175.8 | 88.1 | 0 | 0 | 0 | 107 | V569 V574 L580 L596 G598 P599 Q600 F631 | V569-L572 HydrophobicContact CG1-CB 3.82Å; L572-V574 HydrophobicContact CD1-CG1 4.23Å; L572-V574 HydrophobicContact CD1-CG2 4.5Å; L572-V574 HydrophobicContact CG-CG2 4.46Å; L572-L580 HydrophobicContact CD1-CD2 3.87Å; L572-L596 HydrophobicContact CD1-CB 4.22Å; L572-L596 HydrophobicContact CD2-CB 3.8Å; L572-G598 WeakPolarHBondContact CD2-O 3.29Å; L572-P599 WeakPolarHBondContact O-CA 3.37Å; L572-Q600 HydrophobicContact CD2-CB 3.67Å; L572-Q600 HydrophobicContact CD2-CG 3.47Å; L572-Q600 VanDerWaalsContact CD2-CG 3.47Å; L572-F631 HydrophobicContact CD1-CB 4.01Å |
| 573 | N | 80.8 | Confident | 86.3 | Confident | 61 Ų | 61 | 35.5 Ų | 35.5 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 60.5 | -175.5 | -170.2 | 27 | 0 | 0 | 0 | 109 | I571 G628 Q629 G630 | I571-N573 HydrophobicContact CG2-CB 4.39Å; N573-G628 PolarHBondContact ND2-O 3.41Å; N573-Q629 CarbonylContact O-C 3.55Å; N573-Q629 WeakPolarHBondContact O-CA 3.47Å; N573-G630 CarbonylContact C-O 3.46Å; N573-G630 PolarHBondContact N-O 2.9Å; N573-G630 PolarHBondContact O-N 2.92Å |
| 574 | V | 79.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | trans | -98.9 | 156 | -177.6 | -57.9 | 0 | 0 | 0 | 0 | 111 | Y547 L572 D578 G598 F616 F631 | Y547-V574 WeakPolarHBondContact OH-CA 3.45Å; L572-V574 HydrophobicContact CD1-CG1 4.23Å; L572-V574 HydrophobicContact CD1-CG2 4.5Å; L572-V574 HydrophobicContact CG-CG2 4.46Å; V574-D578 HydrophobicContact CB-CB 4.04Å; V574-D578 HydrophobicContact CG2-CB 4.34Å; V574-G598 WeakPolarHBondContact O-CA 3.04Å; V574-F616 HydrophobicContact CB-CE2 4.38Å; V574-F616 HydrophobicContact CG1-CE2 3.9Å; V574-F616 HydrophobicContact CG1-CZ 4.45Å; V574-F631 HydrophobicContact CG1-CD1 4.04Å | ||
| 575 | R | 76.1 | Confident | 86.8 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | trans | -67.1 | 163.1 | -172.6 | -53.2 | 163.9 | 87.8 | 160.5 | 12.2 | 112 | Y547 G577 D578 P622 N624 | Y547-R575 PolarHBondContact OH-N 2.92Å; R575-G577 PolarHBondContact O-N 3.34Å; R575-D578 WeakPolarHBondContact CB-OD2 3.35Å; R575-D578 WeakPolarHBondContact CD-OD2 3.31Å; R575-D578 WeakPolarHBondContact CG-OD2 3.13Å; R575-D578 PolarHBondContact N-OD2 3.13Å; R575-D578 PolarHBondContact O-N 3.11Å; R575-P622 PolarHBondContact NH1-O 3.24Å; R575-P622 PolarHBondContact NH2-O 2.97Å; R575-N624 WeakPolarHBondContact CG-ND2 3.36Å; R575-N624 PolarHBondContact NE-OD1 3.27Å; R575-N624 PolarHBondContact NH2-OD1 2.79Å | ||
| 576 | E | 71.1 | Confident | 86.5 | Confident | 204 Ų | 204 | 39.2 Ų | 39.2 | 95% | 0.953 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 95.3 | 164.2 | -64.9 | -166.4 | 152.7 | 0 | 0 | 110.2 | ||
| 577 | G | 74.6 | Confident | 86.3 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 57% | 0.567 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 138.9 | -29.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R575 | R575-G577 PolarHBondContact O-N 3.34Š|
| 578 | D | 85.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -74.4 | 154 | 177 | -54.2 | -20.5 | 0 | 0 | 0 | 111 | Y547 V574 R575 F616 Q617 P619 | Y547-D578 WeakPolarHBondContact CE2-OD2 3.36Å; Y547-D578 PolarHBondContact OH-OD2 2.88Å; V574-D578 HydrophobicContact CB-CB 4.04Å; V574-D578 HydrophobicContact CG2-CB 4.34Å; R575-D578 WeakPolarHBondContact CB-OD2 3.35Å; R575-D578 WeakPolarHBondContact CD-OD2 3.31Å; R575-D578 WeakPolarHBondContact CG-OD2 3.13Å; R575-D578 PolarHBondContact N-OD2 3.13Å; R575-D578 PolarHBondContact O-N 3.11Å; D578-F616 HydrophobicContact CB-CE2 4.01Å; D578-F616 HydrophobicContact CB-CZ 4.35Å; D578-Q617 WeakPolarHBondContact CA-O 3.46Å; D578-P619 WeakPolarHBondContact OD1-CD 3.22Å | ||
| 579 | M | 88.6 | Confident | 85.5 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 123.9 | -179.2 | -175.2 | 170.9 | 64.9 | 0 | 0 | 112.3 | Q595 R597 Q617 | M579-Q595 HydrophobicContact CG-CB 4.45Å; M579-Q595 HydrophobicContact SD-CB 4.23Å; M579-Q595 HydrophobicContact SD-CG 3.97Å; M579-R597 HydrophobicContact CB-CG 4.34Å; M579-R597 HydrophobicContact CG-CG 4.22Å; M579-R597 PolarHBondContact SD-NE 3.45Å; M579-R597 PolarHBondContact SD-NH2 2.76Å; M579-Q617 PolarHBondContact N-O 2.94Å; M579-Q617 PolarHBondContact O-N 3.39Å |
| 580 | L | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.2 | 165.6 | 172.4 | 66.2 | 0 | 0 | 0 | 108.6 | L572 L582 L596 Q615 F616 F631 L633 | L572-L580 HydrophobicContact CD1-CD2 3.87Å; L580-L582 HydrophobicContact CD1-CD2 4.25Å; L580-L582 HydrophobicContact CG-CD2 4.19Å; L580-L596 HydrophobicContact CB-CB 4.25Å; L580-L596 HydrophobicContact CD2-CD1 4.03Å; L580-L596 PolarHBondContact N-O 2.88Å; L580-L596 PolarHBondContact O-N 2.85Å; L580-Q615 CarbonylContact C-O 3.59Å; L580-Q615 WeakPolarHBondContact CA-O 3.4Å; L580-F616 HydrophobicContact CB-CD2 4.34Å; L580-F616 HydrophobicContact CD1-CB 4.31Å; L580-F631 HydrophobicContact CD1-CZ 4.36Å; L580-F631 HydrophobicContact CD2-CG 4.38Å; L580-L633 HydrophobicContact CD1-CD1 4.46Å; L580-L633 HydrophobicContact CD2-CD1 3.82Å; L580-L633 HydrophobicContact CD2-CD2 4.07Å; L580-L633 HydrophobicContact CD2-CG 4.47Å |
| 581 | T | 92.1 | Very high | 85.5 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.7 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | F583 V592 Q595 Q615 | T581-F583 HydrophobicContact CG2-CD1 4.28Å; T581-F583 HydrophobicContact CG2-CD2 4.14Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.61Å; T581-F583 HydrophobicContact CG2-CG 4.46Å; T581-F583 HydrophobicContact CG2-CZ 3.43Å; T581-F583 VanDerWaalsContact CG2-CZ 3.43Å; T581-V592 HydrophobicContact CG2-CG1 4.11Å; T581-V592 HydrophobicContact CG2-CG2 4.08Å; T581-Q595 HydrophobicContact CG2-CG 3.92Å; T581-Q615 PolarHBondContact N-O 2.97Å; T581-Q615 PolarHBondContact O-N 2.94Å |
| 582 | L | 93.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.1 | -177.4 | -55.5 | 175.9 | 0 | 0 | 0 | 108.7 | L567 L580 V592 L593 A594 L596 L605 L614 | L567-L582 HydrophobicContact CD2-CD1 3.76Å; L567-L582 HydrophobicContact CD2-CD2 3.87Å; L567-L582 HydrophobicContact CD2-CG 4.46Å; L580-L582 HydrophobicContact CD1-CD2 4.25Å; L580-L582 HydrophobicContact CG-CD2 4.19Å; L582-V592 CarbonylContact O-C 3.47Å; L582-V592 WeakPolarHBondContact O-CA 3.46Å; L582-L593 HydrophobicContact CB-CB 4.38Å; L582-L593 PolarHBondContact O-N 2.96Å; L582-A594 HydrophobicContact CD1-CB 4.34Å; L582-A594 PolarHBondContact N-O 2.68Å; L582-L596 HydrophobicContact CD1-CD1 3.76Å; L582-L596 HydrophobicContact CD1-CG 4.31Å; L582-L605 HydrophobicContact CD1-CD1 3.31Å; L582-L614 HydrophobicContact CD2-CB 4.38Å; L582-L614 HydrophobicContact CD2-CD2 3.39Å; L582-L614 HydrophobicContact CD2-CG 4.46Å |
| 583 | F | 94.1 | Very high | 86.1 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133 | -173.8 | -55.3 | -91.5 | 0 | 0 | 0 | 112 | T581 G585 P588 A590 R591 V592 T613 Q615 | T581-F583 HydrophobicContact CG2-CD1 4.28Å; T581-F583 HydrophobicContact CG2-CD2 4.14Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.61Å; T581-F583 HydrophobicContact CG2-CG 4.46Å; T581-F583 HydrophobicContact CG2-CZ 3.43Å; T581-F583 VanDerWaalsContact CG2-CZ 3.43Å; F583-G585 PolarHBondContact O-N 3.01Å; F583-G585 VanDerWaalsContact O-N 3.11Å; F583-P588 HydrophobicContact CD2-CB 4.21Å; F583-P588 HydrophobicContact CE1-CB 4.43Å; F583-P588 VanDerWaalsContact CE1-O 3.25Å; F583-P588 WeakPolarHBondContact CE1-O 3.44Å; F583-P588 HydrophobicContact CE2-CB 3.69Å; F583-P588 HydrophobicContact CZ-CB 3.81Å; F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.38Å; F583-R591 CarbonylContact C-O 3.6Å; F583-R591 WeakPolarHBondContact CA-O 3.37Å; F583-V592 HydrophobicContact CD1-CG2 3.75Å; F583-V592 HydrophobicContact CE1-CG2 3.67Å; F583-T613 HydrophobicContact CD2-CG2 4.42Å; F583-T613 PolarHBondContact N-O 2.8Å; F583-T613 PolarHBondContact O-N 2.77Å; F583-Q615 HydrophobicContact CE2-CB 3.85Å |
| 584 | D | 91.7 | Very high | 86.4 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 75.2 | -177.8 | -159.7 | 24.7 | 0 | 0 | 0 | 111.4 | R591 L593 S607 S608 | D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.29Å; D584-R591 WeakPolarHBondContact CB-O 3.3Å; D584-R591 PolarHBondContact N-O 2.88Å; D584-L593 HydrophobicContact CB-CD1 4.25Å; D584-L593 HydrophobicContact CB-CD2 3.63Å; D584-L593 HydrophobicContact CB-CG 3.72Å; D584-S607 WeakPolarHBondContact OD1-CA 3.36Å; D584-S607 WeakPolarHBondContact OD1-CB 3.42Å; D584-S608 VanDerWaalsContact CG-OG 3.25Å; D584-S608 PolarHBondContact OD1-N 2.82Å; D584-S608 PolarHBondContact OD1-OG 3.2Å; D584-S608 VanDerWaalsContact OD2-CB 3.26Å; D584-S608 WeakPolarHBondContact OD2-CB 3.35Å; D584-S608 PolarHBondContact OD2-OG 3.08Å |
| 585 | G | 89.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 146.5 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F583 D611 T613 | F583-G585 PolarHBondContact O-N 3.01Å; F583-G585 VanDerWaalsContact O-N 3.11Å; G585-D611 PolarHBondContact N-O 3.43Å; G585-T613 PolarHBondContact O-N 2.9Å; G585-T613 PolarHBondContact O-OG1 2.73Å |
| 586 | D | 86.8 | Confident | 87.5 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 67% | 0.674 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -69.2 | 123.2 | 171.4 | 179.7 | 19.4 | 0 | 0 | 0 | 111.4 | D611 | D586-D611 HydrophobicContact CB-CB 4.34Š|
| 587 | G | 88 | Confident | 88.1 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 78.7 | 157.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S589 A590 T613 | G587-S589 PolarHBondContact O-N 2.81Å; G587-A590 WeakPolarHBondContact O-CB 3.48Å; G587-A590 PolarHBondContact O-N 3.15Å; G587-A590 VanDerWaalsContact O-N 3.13Å; G587-T613 PolarHBondContact N-OG1 3.01Å |
| 588 | P | 83.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 48.4 Ų | 48.4 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 8.2 | 179.1 | 32.1 | -37.6 | 0 | 0 | 0 | 114.3 | F583 | F583-P588 HydrophobicContact CD2-CB 4.21Å; F583-P588 HydrophobicContact CE1-CB 4.43Å; F583-P588 VanDerWaalsContact CE1-O 3.25Å; F583-P588 WeakPolarHBondContact CE1-O 3.44Å; F583-P588 HydrophobicContact CE2-CB 3.69Å; F583-P588 HydrophobicContact CZ-CB 3.81Å |
| 589 | S | 83.7 | Confident | 87.6 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -10.1 | 170.5 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | G587 | G587-S589 PolarHBondContact O-N 2.81Š|
| 590 | A | 87.2 | Confident | 86.6 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -74.4 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F583 G587 V592 | F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.38Å; G587-A590 WeakPolarHBondContact O-CB 3.48Å; G587-A590 PolarHBondContact O-N 3.15Å; G587-A590 VanDerWaalsContact O-N 3.13Å; A590-V592 PolarHBondContact O-N 2.81Å |
| 591 | R | 89.4 | Confident | 85.5 | Confident | 187 Ų | 187 | 61.2 Ų | 61.2 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124 | -174.3 | 174.2 | -170.4 | 174.7 | -170.3 | -0 | 111.3 | F583 D584 L593 | F583-R591 CarbonylContact C-O 3.6Å; F583-R591 WeakPolarHBondContact CA-O 3.37Å; D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.29Å; D584-R591 WeakPolarHBondContact CB-O 3.3Å; D584-R591 PolarHBondContact N-O 2.88Å; R591-L593 PolarHBondContact O-N 3.19Å |
| 592 | V | 91.3 | Very high | 84.9 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 120.7 | 172.7 | 180 | 0 | 0 | 0 | 0 | 111.5 | T581 L582 F583 A590 Q595 | T581-V592 HydrophobicContact CG2-CG1 4.11Å; T581-V592 HydrophobicContact CG2-CG2 4.08Å; L582-V592 CarbonylContact O-C 3.47Å; L582-V592 WeakPolarHBondContact O-CA 3.46Å; F583-V592 HydrophobicContact CD1-CG2 3.75Å; F583-V592 HydrophobicContact CE1-CG2 3.67Å; A590-V592 PolarHBondContact O-N 2.81Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å |
| 593 | L | 88.9 | Confident | 84.4 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -45.8 | 168.5 | -68.8 | 178.2 | 0 | 0 | 0 | 111.4 | L582 D584 R591 L612 | L582-L593 HydrophobicContact CB-CB 4.38Å; L582-L593 PolarHBondContact O-N 2.96Å; D584-L593 HydrophobicContact CB-CD1 4.25Å; D584-L593 HydrophobicContact CB-CD2 3.63Å; D584-L593 HydrophobicContact CB-CG 3.72Å; R591-L593 PolarHBondContact O-N 3.19Å; L593-L612 HydrophobicContact CD1-CD1 3.55Å |
| 594 | A | 86.9 | Confident | 84.1 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 11% | 0.107 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 155 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L582 L596 L605 | L582-A594 HydrophobicContact CD1-CB 4.34Å; L582-A594 PolarHBondContact N-O 2.68Å; A594-L596 HydrophobicContact CB-CD2 4.41Å; A594-L605 HydrophobicContact CB-CD1 4.08Å |
| 595 | Q | 90.7 | Very high | 83.9 | Confident | 100 Ų | 100 | 82.6 Ų | 82.6 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | 160.6 | -72.8 | 176.2 | -2.3 | 0 | 0 | 107.6 | M579 T581 V592 | M579-Q595 HydrophobicContact CG-CB 4.45Å; M579-Q595 HydrophobicContact SD-CB 4.23Å; M579-Q595 HydrophobicContact SD-CG 3.97Å; T581-Q595 HydrophobicContact CG2-CG 3.92Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å |
| 596 | L | 87.2 | Confident | 83.8 | Confident | 11 Ų | 11 | 85.5 Ų | 85.5 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.7 | -176.3 | -60.5 | -179.9 | 0 | 0 | 0 | 108.8 | V569 L572 L580 L582 A594 | V569-L596 HydrophobicContact CG2-CD1 3.9Å; L572-L596 HydrophobicContact CD1-CB 4.22Å; L572-L596 HydrophobicContact CD2-CB 3.8Å; L580-L596 HydrophobicContact CB-CB 4.25Å; L580-L596 HydrophobicContact CD2-CD1 4.03Å; L580-L596 PolarHBondContact N-O 2.88Å; L580-L596 PolarHBondContact O-N 2.85Å; L582-L596 HydrophobicContact CD1-CD1 3.76Å; L582-L596 HydrophobicContact CD1-CG 4.31Å; A594-L596 HydrophobicContact CB-CD2 4.41Å |
| 597 | R | 84.4 | Confident | 84 | Confident | 135 Ų | 135 | 79.7 Ų | 79.7 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | trans | -145.2 | 145.9 | -177.5 | -56.9 | -172.1 | -169.7 | 154.5 | 5.7 | 110.2 | M579 Q600 | M579-R597 HydrophobicContact CB-CG 4.34Å; M579-R597 HydrophobicContact CG-CG 4.22Å; M579-R597 PolarHBondContact SD-NE 3.45Å; M579-R597 PolarHBondContact SD-NH2 2.76Å; R597-Q600 PolarHBondContact O-NE2 2.73Å | ||
| 598 | G | 75.3 | Confident | 83.9 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 12% | 0.124 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 61.7 | -170.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L572 V574 | L572-G598 WeakPolarHBondContact CD2-O 3.29Å; V574-G598 WeakPolarHBondContact O-CA 3.04Å |
| 599 | P | 74.2 | Confident | 84 | Confident | 99 Ų | 99 | 79.2 Ų | 79.2 | 64% | 0.643 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -69.4 | 129 | 172 | 28.1 | -33.4 | 0 | 0 | 0 | 111.2 | L572 | L572-P599 WeakPolarHBondContact O-CA 3.37Š|
| 600 | Q | 68.4 | Low | 84.4 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | trans | -129.7 | 148.3 | 179 | -64.6 | -67.7 | -30 | 0 | 0 | 111.2 | L572 R597 | L572-Q600 HydrophobicContact CD2-CB 3.67Å; L572-Q600 HydrophobicContact CD2-CG 3.47Å; L572-Q600 VanDerWaalsContact CD2-CG 3.47Å; R597-Q600 PolarHBondContact O-NE2 2.73Å | ||
| 601 | P | 68.5 | Low | 84.7 | Confident | 104 Ų | 104 | 75 Ų | 75 | 68% | 0.675 | 36% | 0.361 | S | S | * | . | trans | -67.3 | 154.4 | 173.8 | 30 | -35.6 | 0 | 0 | 0 | 111.6 | R603 | P601-R603 PolarHBondContact O-N 3.35Š| ||
| 602 | R | 79.9 | Confident | 84.9 | Confident | 160 Ų | 160 | 66.2 Ų | 66.2 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | trans | -51.6 | 124.7 | 177.2 | -67.8 | -176.5 | 179 | -139.5 | -7.2 | 111.1 | V569 E570 | V569-R602 WeakPolarHBondContact O-CA 3.44Å; E570-R602 VanDerWaalsContact CD-CZ 3.46Å; E570-R602 VanDerWaalsContact CD-NH2 3.34Å; E570-R602 WeakPolarHBondContact O-CG 3.45Å; E570-R602 PolarHBondContact O-NE 3.34Å; E570-R602 IonicContact OE1-CZ 2.63Å; E570-R602 IonicContact OE1-NH1 3.38Å; E570-R602 PolarHBondContact OE1-NH1 3.45Å; E570-R602 IonicContact OE1-NH2 3.78Å; E570-R602 PolarHBondContact OE1-NH2 3.12Å; E570-R602 IonicContact OE2-CZ 3.22Å; E570-R602 IonicContact OE2-NH1 3.17Å; E570-R602 PolarHBondContact OE2-NH1 3.43Å | ||
| 603 | R | 82.9 | Confident | 85.1 | Confident | 141 Ų | 141 | 63.5 Ų | 63.5 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 144.9 | -174.3 | -177.5 | 171.4 | 176.1 | -177.7 | -3.7 | 111.1 | V569 P601 L605 | V569-R603 PolarHBondContact N-O 2.75Å; V569-R603 PolarHBondContact O-N 3.11Å; P601-R603 PolarHBondContact O-N 3.35Å; R603-L605 HydrophobicContact CG-CD2 4.5Å |
| 604 | R | 87.1 | Confident | 85.4 | Confident | 170 Ų | 170 | 61 Ų | 61 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.8 | 169.6 | -68.5 | 177.4 | 179.6 | 157.7 | 3.5 | 110.7 | L566 L567 Q568 | L566-R604 HydrophobicContact CD1-CB 4.37Å; L567-R604 CarbonylContact O-C 3.42Å; L567-R604 WeakPolarHBondContact O-CA 3.48Å; Q568-R604 HydrophobicContact CB-CG 4.24Å; Q568-R604 HydrophobicContact CG-CG 4.09Å; Q568-R604 VanDerWaalsContact OE1-CZ 3.31Å |
| 605 | L | 87.8 | Confident | 85.7 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 151.9 | 178.1 | -64.2 | 172.5 | 0 | 0 | 0 | 108.3 | L567 L582 A594 R603 | L567-L605 HydrophobicContact CB-CB 4.43Å; L567-L605 PolarHBondContact N-O 2.78Å; L567-L605 PolarHBondContact O-N 2.83Å; L582-L605 HydrophobicContact CD1-CD1 3.31Å; A594-L605 HydrophobicContact CB-CD1 4.08Å; R603-L605 HydrophobicContact CG-CD2 4.5Å |
| 606 | L | 88.5 | Confident | 85.8 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.8 | -174.6 | -172.6 | 75.1 | 0 | 0 | 0 | 108.9 | R564 I565 L566 V638 N641 | R564-L606 HydrophobicContact CB-CD1 4.2Å; I565-L606 WeakPolarHBondContact O-CA 3.34Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.07Å; L606-V638 HydrophobicContact CD1-CG2 3.52Å; L606-N641 HydrophobicContact CD2-CB 4.44Å |
| 607 | S | 91.1 | Very high | 86 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | trans | -74.7 | 165.4 | 170.4 | 66 | 0 | 0 | 0 | 0 | 111.8 | R564 I565 D584 G609 | R564-S607 WeakPolarHBondContact CD-O 3.15Å; R564-S607 WeakPolarHBondContact CG-O 3.41Å; I565-S607 PolarHBondContact N-OG 3.5Å; I565-S607 PolarHBondContact O-N 3.03Å; D584-S607 WeakPolarHBondContact OD1-CA 3.36Å; D584-S607 WeakPolarHBondContact OD1-CB 3.42Å; S607-G609 PolarHBondContact OG-O 2.83Å | ||
| 608 | S | 85.3 | Confident | 86.1 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -92.6 | -20 | 172.1 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | R564 D584 | R564-S608 PolarHBondContact NE-O 2.94Å; R564-S608 PolarHBondContact NH2-O 2.84Å; R564-S608 VanDerWaalsContact NH2-O 3.15Å; D584-S608 VanDerWaalsContact CG-OG 3.25Å; D584-S608 PolarHBondContact OD1-N 2.82Å; D584-S608 PolarHBondContact OD1-OG 3.2Å; D584-S608 VanDerWaalsContact OD2-CB 3.26Å; D584-S608 WeakPolarHBondContact OD2-CB 3.35Å; D584-S608 PolarHBondContact OD2-OG 3.08Å |
| 609 | G | 86.5 | Confident | 86.5 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -131.6 | -169.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S607 D611 | S607-G609 PolarHBondContact OG-O 2.83Å; G609-D611 VanDerWaalsContact C-N 3.27Å; G609-D611 PolarHBondContact O-N 2.93Å |
| 610 | P | 90.5 | Very high | 86.8 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.071 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -72.3 | -17.5 | -179.7 | 30.3 | -35.5 | 0 | 0 | 0 | 113.8 | V559 I565 | V559-P610 HydrophobicContact CG2-CB 4.31Å; V559-P610 WeakPolarHBondContact CG2-O 3.49Å; V559-P610 PolarHBondContact N-O 3.25Å; V559-P610 WeakPolarHBondContact O-CB 3.16Å; I565-P610 WeakPolarHBondContact CD1-O 3.47Å |
| 611 | D | 93.2 | Very high | 86.9 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144.7 | -174.4 | -36.9 | -67.7 | 0 | 0 | 0 | 112.4 | V557 H558 G585 D586 G609 | V557-D611 CarbonylContact O-C 3.58Å; V557-D611 WeakPolarHBondContact O-CA 3.46Å; H558-D611 IonicContact CE1-OD1 2.72Å; H558-D611 IonicContact CG-OD1 3.72Å; H558-D611 IonicContact ND1-OD1 2.75Å; H558-D611 PolarHBondContact ND1-OD1 3.36Å; G585-D611 PolarHBondContact N-O 3.43Å; D586-D611 HydrophobicContact CB-CB 4.34Å; G609-D611 VanDerWaalsContact C-N 3.27Å; G609-D611 PolarHBondContact O-N 2.93Å |
| 612 | L | 94.6 | Very high | 86.6 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 117.4 | 177.2 | 176.3 | 74.5 | 0 | 0 | 0 | 109.4 | V557 I565 L567 L593 L614 | V557-L612 HydrophobicContact CB-CB 4.4Å; V557-L612 WeakPolarHBondContact CB-O 3.17Å; V557-L612 PolarHBondContact N-O 2.72Å; V557-L612 PolarHBondContact O-N 2.95Å; I565-L612 HydrophobicContact CB-CB 4.39Å; I565-L612 HydrophobicContact CB-CD2 4.23Å; I565-L612 HydrophobicContact CD1-CB 3.55Å; I565-L612 HydrophobicContact CG2-CD2 3.68Å; L567-L612 HydrophobicContact CB-CD2 4.16Å; L567-L612 HydrophobicContact CD1-CD2 4.24Å; L567-L612 HydrophobicContact CD2-CD2 4.35Å; L567-L612 HydrophobicContact CG-CD2 4.49Å; L593-L612 HydrophobicContact CD1-CD1 3.55Å; L612-L614 HydrophobicContact CD2-CD2 3.92Å; L612-L614 HydrophobicContact CG-CD2 3.91Å |
| 613 | T | 95.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.4 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | V554 F583 G585 G587 | V554-T613 HydrophobicContact CG1-CG2 3.77Å; F583-T613 HydrophobicContact CD2-CG2 4.42Å; F583-T613 PolarHBondContact N-O 2.8Å; F583-T613 PolarHBondContact O-N 2.77Å; G585-T613 PolarHBondContact O-N 2.9Å; G585-T613 PolarHBondContact O-OG1 2.73Å; G587-T613 PolarHBondContact N-OG1 3.01Å |
| 614 | L | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.7 | 179.4 | -39.8 | 173.7 | 0 | 0 | 0 | 108.3 | V538 V554 W555 V557 L567 L582 L612 L633 | V538-L614 HydrophobicContact CB-CD1 3.97Å; V538-L614 HydrophobicContact CG1-CD1 3.9Å; V538-L614 HydrophobicContact CG2-CD1 3.66Å; V554-L614 CarbonylContact C-O 3.46Å; V554-L614 WeakPolarHBondContact CA-O 3.49Å; W555-L614 HydrophobicContact CB-CB 4.29Å; W555-L614 HydrophobicContact CB-CD1 4.22Å; W555-L614 HydrophobicContact CB-CG 4.47Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 2.76Å; W555-L614 PolarHBondContact O-N 2.9Å; V557-L614 HydrophobicContact CG2-CD1 4.01Å; V557-L614 HydrophobicContact CG2-CG 4.27Å; L567-L614 HydrophobicContact CD2-CD2 4.16Å; L582-L614 HydrophobicContact CD2-CB 4.38Å; L582-L614 HydrophobicContact CD2-CD2 3.39Å; L582-L614 HydrophobicContact CD2-CG 4.46Å; L612-L614 HydrophobicContact CD2-CD2 3.92Å; L612-L614 HydrophobicContact CG-CD2 3.91Å; L614-L633 HydrophobicContact CD1-CD1 4.32Å |
| 615 | Q | 94.2 | Very high | 82.7 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.8 | 173.3 | -176.5 | 168.9 | 22.6 | 0 | 0 | 111 | D552 C553 V554 L580 T581 F583 Q617 | D552-Q615 PolarHBondContact OD1-NE2 2.89Å; D552-Q615 PolarHBondContact OD2-NE2 3.07Å; C553-Q615 CarbonylContact O-C 3.56Å; C553-Q615 VanDerWaalsContact O-CA 3.31Å; C553-Q615 WeakPolarHBondContact O-CA 3.41Å; V554-Q615 HydrophobicContact CG2-CB 4.33Å; V554-Q615 HydrophobicContact CG2-CG 3.93Å; L580-Q615 CarbonylContact C-O 3.59Å; L580-Q615 WeakPolarHBondContact CA-O 3.4Å; T581-Q615 PolarHBondContact N-O 2.97Å; T581-Q615 PolarHBondContact O-N 2.94Å; F583-Q615 HydrophobicContact CE2-CB 3.85Å; Q615-Q617 HydrophobicContact CG-CG 4.23Å |
| 616 | F | 92.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.3 | 173.7 | 176.3 | -118 | 0 | 0 | 0 | 110.9 | Y547 D552 C553 W555 V574 D578 L580 A618 F631 | Y547-F616 HydrophobicContact CD1-CE1 4.46Å; Y547-F616 HydrophobicContact CD1-CZ 4.38Å; Y547-F616 AromaticContact CD2-CE1 3.81Å; Y547-F616 HydrophobicContact CD2-CE1 3.81Å; Y547-F616 AromaticContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CE1-CZ 4.28Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.69Å; Y547-F616 HydrophobicContact CE2-CZ 3.69Å; Y547-F616 AromaticContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.97Å; D552-F616 CarbonylContact C-O 3.55Å; D552-F616 WeakPolarHBondContact CA-O 3.42Å; C553-F616 PolarHBondContact N-O 2.04Å; C553-F616 PolarHBondContact O-N 2.83Å; W555-F616 HydrophobicContact CH2-CB 4.14Å; W555-F616 HydrophobicContact CZ3-CB 3.75Å; V574-F616 HydrophobicContact CB-CE2 4.38Å; V574-F616 HydrophobicContact CG1-CE2 3.9Å; V574-F616 HydrophobicContact CG1-CZ 4.45Å; D578-F616 HydrophobicContact CB-CE2 4.01Å; D578-F616 HydrophobicContact CB-CZ 4.35Å; L580-F616 HydrophobicContact CB-CD2 4.34Å; L580-F616 HydrophobicContact CD1-CB 4.31Å; F616-A618 HydrophobicContact CE1-CB 3.9Å; F616-A618 HydrophobicContact CZ-CB 3.86Å; F616-F631 HydrophobicContact CB-CE1 3.91Å; F616-F631 HydrophobicContact CB-CZ 3.99Å; F616-F631 AromaticContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD2-CD1 4.29Å; F616-F631 AromaticContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CZ 4.49Å; F616-F631 HydrophobicContact CE1-CE1 4.35Å; F616-F631 HydrophobicContact CE2-CD1 4.42Å; F616-F631 HydrophobicContact CE2-CE1 4.02Å; F616-F631 AromaticContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CZ 4.1Å; F616-F631 HydrophobicContact CZ-CE1 4.38Å |
| 617 | Q | 90.9 | Very high | 79 | Confident | 67 Ų | 67 | 43.8 Ų | 43.8 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120 | 177.5 | -73.7 | 171.7 | -14.3 | 0 | 0 | 110 | D552 D578 M579 Q615 | D552-Q617 HydrophobicContact CB-CG 4.5Å; D552-Q617 VanDerWaalsContact OD1-CG 3.26Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.45Å; D578-Q617 WeakPolarHBondContact CA-O 3.46Å; M579-Q617 PolarHBondContact N-O 2.94Å; M579-Q617 PolarHBondContact O-N 3.39Å; Q615-Q617 HydrophobicContact CG-CG 4.23Å |
| 618 | A | 87.6 | Confident | 77.2 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | trans | -117.5 | 107.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y547 G550 Q551 F616 | Y547-A618 HydrophobicContact CD2-CB 4.19Å; Y547-A618 HydrophobicContact CE2-CB 4.18Å; G550-A618 CarbonylContact C-O 3.49Å; G550-A618 WeakPolarHBondContact CA-O 3.42Å; G550-A618 PolarHBondContact N-O 3.35Å; Q551-A618 HydrophobicContact CB-CB 4.46Å; Q551-A618 PolarHBondContact N-O 2.83Å; Q551-A618 PolarHBondContact O-N 2.86Å; F616-A618 HydrophobicContact CE1-CB 3.9Å; F616-A618 HydrophobicContact CZ-CB 3.86Å | ||
| 619 | P | 83.5 | Confident | 76.4 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | trans | -58.5 | 154.5 | 179.9 | 22.5 | -33.7 | 0 | 0 | 0 | 113.1 | G550 D578 G621 | G550-P619 PolarHBondContact N-O 3.45Å; D578-P619 WeakPolarHBondContact OD1-CD 3.22Å; P619-G621 PolarHBondContact O-N 2.76Å | ||
| 620 | P | 80.1 | Confident | 76.2 | Confident | 117 Ų | 117 | 43.8 Ų | 43.8 | 76% | 0.76 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -65 | 135.5 | 176.3 | 27.7 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 621 | G | 69.4 | Low | 76 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | trans | -173.2 | -174.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P549 P619 | P549-G621 WeakPolarHBondContact CB-O 3.48Å; P549-G621 VanDerWaalsContact CG-O 3.32Å; P549-G621 WeakPolarHBondContact CG-O 3.49Å; P619-G621 PolarHBondContact O-N 2.76Å | ||
| 622 | P | 63.9 | Low | 75.9 | Confident | 95 Ų | 95 | 41.7 Ų | 41.7 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -63.2 | 148.9 | 177.3 | 26.8 | -33.9 | 0 | 0 | 0 | 111.4 | R575 | R575-P622 PolarHBondContact NH1-O 3.24Å; R575-P622 PolarHBondContact NH2-O 2.97Å |
| 623 | P | 59.3 | Low | 75.8 | Confident | 106 Ų | 106 | 41.6 Ų | 41.6 | 69% | 0.688 | 26% | 0.264 | S | S | * | . | trans | -59.5 | 157.1 | 174.7 | 27.4 | -35.1 | 0 | 0 | 0 | 111 | ||||
| 624 | N | 57.4 | Low | 75.7 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | trans | -113.5 | 104.4 | -160.6 | -150.3 | 35.1 | 0 | 0 | 0 | 109.9 | S546 R575 G626 Q629 | S546-N624 WeakPolarHBondContact CB-O 3.42Å; S546-N624 PolarHBondContact OG-O 3.39Å; R575-N624 WeakPolarHBondContact CG-ND2 3.36Å; R575-N624 PolarHBondContact NE-OD1 3.27Å; R575-N624 PolarHBondContact NH2-OD1 2.79Å; N624-G626 PolarHBondContact O-N 3.5Å; N624-Q629 PolarHBondContact ND2-OE1 2.98Å | ||
| 625 | P | 49.2 | Very low | 75.7 | Confident | 119 Ų | 119 | 45.1 Ų | 45.1 | 77% | 0.773 | 28% | 0.28 | S | S | * | . | trans | -81.6 | 28.6 | -163.8 | 34.6 | -38.9 | 0 | 0 | 0 | 114.3 | ||||
| 626 | G | 51.9 | Low | 75.6 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | -122.5 | 115.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N624 Q629 | N624-G626 PolarHBondContact O-N 3.5Å; G626-Q629 PolarHBondContact O-N 2.96Å | ||
| 627 | L | 48.2 | Very low | 75.6 | Confident | 105 Ų | 105 | 51.6 Ų | 51.6 | 55% | 0.55 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 141.5 | 171 | -169 | 68.1 | 0 | 0 | 0 | 110.7 | Q629 | L627-Q629 VanDerWaalsContact C-N 3.28Å; L627-Q629 PolarHBondContact O-N 2.84Å |
| 628 | G | 53.2 | Low | 75.4 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P544 N573 | P544-G628 PolarHBondContact O-N 2.93Å; N573-G628 PolarHBondContact ND2-O 3.41Å |
| 629 | Q | 68.4 | Low | 75 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | trans | -84.1 | 118.2 | 161.3 | -64.5 | -164.1 | 25 | 0 | 0 | 108.9 | Y547 N573 N624 G626 L627 | Y547-Q629 VanDerWaalsContact CE1-O 3.26Å; Y547-Q629 WeakPolarHBondContact CE1-O 3.32Å; N573-Q629 CarbonylContact O-C 3.55Å; N573-Q629 WeakPolarHBondContact O-CA 3.47Å; N624-Q629 PolarHBondContact ND2-OE1 2.98Å; G626-Q629 PolarHBondContact O-N 2.96Å; L627-Q629 VanDerWaalsContact C-N 3.28Å; L627-Q629 PolarHBondContact O-N 2.84Å | ||
| 630 | G | 80.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -160.4 | -166 | 0 | 0 | 0 | 0 | 0 | 112.5 | S540 N573 | S540-G630 WeakPolarHBondContact OG-CA 3.46Å; N573-G630 CarbonylContact C-O 3.46Å; N573-G630 PolarHBondContact N-O 2.9Å; N573-G630 PolarHBondContact O-N 2.92Å |
| 631 | F | 87.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 153.7 | 174.5 | 58.5 | -102 | 0 | 0 | 0 | 112.7 | V538 L539 S540 W555 I571 L572 V574 L580 F616 L633 | V538-F631 HydrophobicContact CG1-CE2 4.45Å; L539-F631 VanDerWaalsContact C-CE2 3.46Å; L539-F631 WeakPolarHBondContact CA-O 3.3Å; S540-F631 PolarHBondContact N-O 3.29Å; S540-F631 VanDerWaalsContact N-O 3.08Å; S540-F631 PolarHBondContact OG-N 2.84Å; S540-F631 VanDerWaalsContact OG-N 3.17Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.73Å; W555-F631 HydrophobicContact CH2-CZ 3.73Å; W555-F631 AromaticContact CZ3-CZ 3.97Å; W555-F631 HydrophobicContact CZ3-CZ 3.97Å; I571-F631 VanDerWaalsContact O-CA 3.3Å; I571-F631 WeakPolarHBondContact O-CA 3.46Å; I571-F631 WeakPolarHBondContact O-CB 3.46Å; L572-F631 HydrophobicContact CD1-CB 4.01Å; V574-F631 HydrophobicContact CG1-CD1 4.04Å; L580-F631 HydrophobicContact CD1-CZ 4.36Å; L580-F631 HydrophobicContact CD2-CG 4.38Å; F616-F631 HydrophobicContact CB-CE1 3.91Å; F616-F631 HydrophobicContact CB-CZ 3.99Å; F616-F631 AromaticContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD2-CD1 4.29Å; F616-F631 AromaticContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CZ 4.49Å; F616-F631 HydrophobicContact CE1-CE1 4.35Å; F616-F631 HydrophobicContact CE2-CD1 4.42Å; F616-F631 HydrophobicContact CE2-CE1 4.02Å; F616-F631 AromaticContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CZ 4.1Å; F616-F631 HydrophobicContact CZ-CE1 4.38Å; F631-L633 HydrophobicContact CD2-CD1 3.89Å; F631-L633 HydrophobicContact CD2-CG 3.84Å; F631-L633 HydrophobicContact CE2-CD1 4Å; F631-L633 HydrophobicContact CE2-CG 4.42Å |
| 632 | V | 90.5 | Very high | 73.3 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 114.4 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | V537 L539 W543 E570 I571 | V537-V632 HydrophobicContact CG1-CG1 3.96Å; L539-V632 HydrophobicContact CD2-CB 4.33Å; L539-V632 HydrophobicContact CD2-CG1 3.99Å; L539-V632 HydrophobicContact CD2-CG2 3.94Å; W543-V632 HydrophobicContact CD2-CG2 4.17Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CH2-CG2 4.09Å; W543-V632 HydrophobicContact CZ2-CG2 3.45Å; W543-V632 VanDerWaalsContact CZ2-CG2 3.45Å; E570-V632 HydrophobicContact CB-CB 4.35Å; E570-V632 HydrophobicContact CB-CG1 4.27Å; E570-V632 PolarHBondContact N-O 2.8Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.16Å; I571-V632 HydrophobicContact CD1-CG2 4.09Å; I571-V632 HydrophobicContact CG1-CB 4.39Å; I571-V632 HydrophobicContact CG1-CG2 4.38Å; I571-V632 PolarHBondContact N-O 3.41Å; I571-V632 PolarHBondContact O-N 2.88Å |
| 633 | L | 92.3 | Very high | 73.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.2 | -178.1 | -50 | 171.6 | 0 | 0 | 0 | 108.6 | V537 V538 L567 V569 L580 L614 F631 | V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.37Å; V538-L633 HydrophobicContact CB-CB 4.35Å; V538-L633 HydrophobicContact CB-CD1 4.46Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.38Å; L567-L633 HydrophobicContact CD1-CB 4.04Å; V569-L633 HydrophobicContact CB-CD2 4.28Å; V569-L633 HydrophobicContact CG1-CD2 4.14Å; V569-L633 HydrophobicContact CG2-CD2 3.94Å; L580-L633 HydrophobicContact CD1-CD1 4.46Å; L580-L633 HydrophobicContact CD2-CD1 3.82Å; L580-L633 HydrophobicContact CD2-CD2 4.07Å; L580-L633 HydrophobicContact CD2-CG 4.47Å; L614-L633 HydrophobicContact CD1-CD1 4.32Å; F631-L633 HydrophobicContact CD2-CD1 3.89Å; F631-L633 HydrophobicContact CD2-CG 3.84Å; F631-L633 HydrophobicContact CE2-CD1 4Å; F631-L633 HydrophobicContact CE2-CG 4.42Å |
| 634 | H | 93.4 | Very high | 74.4 | Confident | 71 Ų | 71 | 47.4 Ų | 47.4 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.2 | 171.6 | -69.5 | -96 | 0 | 0 | 0 | 109.2 | L567 Q568 | L567-H634 CarbonylContact C-O 3.59Å; Q568-H634 PolarHBondContact N-O 2.79Å; Q568-H634 PolarHBondContact O-N 3.45Å |
| 635 | F | 94.4 | Very high | 75.5 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 151.6 | 173.2 | 73.1 | -89.1 | 0 | 0 | 0 | 110.8 | L531 E533 A535 G536 V538 V557 I565 L566 L567 | L531-F635 HydrophobicContact CB-CZ 4.09Å; L531-F635 HydrophobicContact CD1-CE1 4.04Å; L531-F635 HydrophobicContact CD1-CZ 4.42Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å; A535-F635 VanDerWaalsContact CA-O 3.3Å; A535-F635 WeakPolarHBondContact CA-O 3.5Å; G536-F635 VanDerWaalsContact C-CD1 3.47Å; G536-F635 VanDerWaalsContact CA-CE1 3.41Å; G536-F635 PolarHBondContact N-O 3.14Å; G536-F635 WeakPolarHBondContact O-CD1 3.29Å; G536-F635 PolarHBondContact O-N 2.89Å; V538-F635 HydrophobicContact CG2-CD1 4.05Å; V538-F635 HydrophobicContact CG2-CE1 4.1Å; V557-F635 HydrophobicContact CG1-CD1 4.43Å; V557-F635 HydrophobicContact CG1-CD2 3.53Å; V557-F635 HydrophobicContact CG1-CE1 4.38Å; V557-F635 HydrophobicContact CG1-CE2 3.46Å; V557-F635 VanDerWaalsContact CG1-CE2 3.46Å; V557-F635 HydrophobicContact CG1-CG 4.03Å; V557-F635 HydrophobicContact CG1-CZ 3.92Å; I565-F635 HydrophobicContact CG2-CB 3.92Å; L566-F635 WeakPolarHBondContact O-CA 3.31Å; L567-F635 HydrophobicContact CD1-CB 3.85Å |
| 636 | K | 93 | Very high | 77 | Confident | 108 Ų | 108 | 51.5 Ų | 51.5 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 153.9 | 168.9 | 63.2 | 171 | -172.5 | 166.3 | 0 | 112.2 | P534 A535 L566 | P534-K636 CarbonylContact O-C 3.45Å; P534-K636 WeakPolarHBondContact O-CA 3.4Å; A535-K636 HydrophobicContact CB-CB 3.74Å; L566-K636 HydrophobicContact CB-CG 4.33Å; L566-K636 PolarHBondContact N-O 2.84Å; L566-K636 PolarHBondContact O-N 2.75Å; L566-K636 VanDerWaalsContact O-N 3.1Å |
| 637 | E | 92.1 | Very high | 78.6 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 144.8 | 166.6 | 69.1 | 170.4 | -126.3 | 0 | 0 | 111.4 | P534 V559 Q560 K563 R564 | P534-E637 HydrophobicContact CB-CG 4.07Å; P534-E637 PolarHBondContact O-N 2.95Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.33Å; Q560-E637 PolarHBondContact NE2-OE1 3.31Å; Q560-E637 PolarHBondContact NE2-OE2 3.43Å; K563-E637 HydrophobicContact CB-CB 4.22Å; K563-E637 HydrophobicContact CG-CB 4.28Å; R564-E637 CarbonylContact O-C 3.58Å; R564-E637 WeakPolarHBondContact O-CA 3.25Å |
| 638 | V | 86.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 51 Ų | 51 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.1 | 171.2 | -70.9 | 0 | 0 | 0 | 0 | 109 | R564 L566 L606 | R564-V638 HydrophobicContact CB-CG2 4.13Å; R564-V638 PolarHBondContact N-O 2.81Å; R564-V638 VanDerWaalsContact O-CG2 3.31Å; R564-V638 WeakPolarHBondContact O-CG2 3.47Å; R564-V638 PolarHBondContact O-N 2.99Å; L566-V638 HydrophobicContact CB-CG1 3.77Å; L566-V638 HydrophobicContact CB-CG2 3.96Å; L566-V638 HydrophobicContact CD2-CG1 4.31Å; L606-V638 HydrophobicContact CD1-CG2 3.52Å |
| 639 | P | 78.9 | Confident | 81.9 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 148.4 | 175.4 | 25.3 | -35 | 0 | 0 | 0 | 111.4 | N641 | P639-N641 PolarHBondContact O-N 2.85Å; P639-N641 VanDerWaalsContact O-N 3.13Å |
| 640 | R | 70.4 | Confident | 82.9 | Confident | 105 Ų | 105 | 51.8 Ų | 51.8 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | trans | -63.7 | 114.1 | 179.4 | -155.3 | 176.3 | -148.4 | -120.1 | 17.1 | 109.7 | R564 D642 | R564-R640 HydrophobicContact CG-CG 4.16Å; R564-R640 VanDerWaalsContact CZ-CG 3.41Å; R640-D642 WeakPolarHBondContact CD-OD2 3.33Å; R640-D642 IonicContact CZ-OD2 2.67Å; R640-D642 IonicContact NE-OD2 3.97Å; R640-D642 IonicContact NH1-OD2 2.7Å; R640-D642 PolarHBondContact NH1-OD2 2.82Å; R640-D642 PolarHBondContact O-N 2.84Å | ||
| 641 | N | 63.9 | Low | 83.2 | Confident | 98 Ų | 98 | 59.3 Ų | 59.3 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -69.9 | 53.7 | 177.8 | -168.3 | 80 | 0 | 0 | 0 | 113.1 | R564 L606 P639 | R564-N641 VanDerWaalsContact NH1-N 3.17Å; R564-N641 PolarHBondContact NH1-O 3.3Å; L606-N641 HydrophobicContact CD2-CB 4.44Å; P639-N641 PolarHBondContact O-N 2.85Å; P639-N641 VanDerWaalsContact O-N 3.13Å |
| 642 | D | 63.7 | Low | 83.2 | Confident | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | trans | -112.6 | 17.9 | 171.1 | -61.4 | -18.6 | 0 | 0 | 0 | 110.2 | R564 R640 I663 R664 L690 | R564-D642 IonicContact CZ-OD1 2.99Å; R564-D642 VanDerWaalsContact CZ-OD1 3.26Å; R564-D642 IonicContact CZ-OD2 3.24Å; R564-D642 IonicContact NH1-OD1 2.78Å; R564-D642 PolarHBondContact NH1-OD1 3.48Å; R564-D642 VanDerWaalsContact NH2-CG 3.34Å; R564-D642 IonicContact NH2-OD1 3.27Å; R564-D642 PolarHBondContact NH2-OD1 3.04Å; R564-D642 IonicContact NH2-OD2 3.78Å; R564-D642 PolarHBondContact NH2-OD2 2.95Å; R640-D642 WeakPolarHBondContact CD-OD2 3.33Å; R640-D642 IonicContact CZ-OD2 2.67Å; R640-D642 IonicContact NE-OD2 3.97Å; R640-D642 IonicContact NH1-OD2 2.7Å; R640-D642 PolarHBondContact NH1-OD2 2.82Å; R640-D642 PolarHBondContact O-N 2.84Å; D642-I663 WeakPolarHBondContact O-CA 3.26Å; D642-R664 PolarHBondContact O-N 3.41Å; D642-R664 VanDerWaalsContact O-N 3.08Å; D642-R664 IonicContact OD1-NH1 3.32Å; D642-L690 WeakPolarHBondContact O-CD2 3.35Å | ||
| 643 | T | 69.8 | Low | 83.1 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 131.1 | -179.4 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | L662 I663 | T643-L662 CarbonylContact C-O 3.54Å; T643-L662 VanDerWaalsContact CA-O 3.31Å; T643-L662 WeakPolarHBondContact CA-O 3.36Å; T643-I663 HydrophobicContact CG2-CG2 4.03Å |
| 644 | C | 76.6 | Confident | 83 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -68 | 156.9 | 167.3 | -75.8 | 0 | 0 | 0 | 0 | 111.7 | L662 C686 L690 S691 W692 | C644-L662 PolarHBondContact N-O 2.92Å; C644-C686 HydrophobicContact CB-CB 3.87Å; C644-C686 WeakPolarHBondContact CB-SG 3.44Å; C644-C686 WeakPolarHBondContact SG-CA 3.49Å; C644-C686 WeakPolarHBondContact SG-CB 3.06Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 3.49Å; C644-L690 PolarHBondContact SG-O 2.98Å; C644-L690 VanDerWaalsContact SG-O 3.37Å; C644-S691 PolarHBondContact SG-O 2.83Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; C644-W692 HydrophobicContact CB-CD2 4.25Å; C644-W692 HydrophobicContact CB-CH2 4.27Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å |
| 645 | P | 80.3 | Confident | 82.9 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 141.6 | 175.8 | -25.2 | 33.9 | 0 | 0 | 0 | 112.5 | L647 L690 W692 | P645-L647 PolarHBondContact O-N 3.14Å; P645-L690 VanDerWaalsContact CD-O 3.27Å; P645-L690 WeakPolarHBondContact CD-O 3.25Å; P645-W692 PolarHBondContact O-NE1 2.96Å |
| 646 | E | 80.6 | Confident | 82.7 | Confident | 142 Ų | 142 | 73.8 Ų | 73.8 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 129.7 | 176.9 | -178 | 155.6 | -137.1 | 0 | 0 | 111.8 | R655 L662 | E646-R655 IonicContact OE1-CZ 3.68Å; E646-R655 IonicContact OE1-NH1 3.09Å; E646-R655 IonicContact OE1-NH2 3.69Å; E646-R655 PolarHBondContact OE1-NH2 3.31Å; E646-L662 HydrophobicContact CB-CD1 3.91Å; E646-L662 HydrophobicContact CG-CD1 4.04Å |
| 647 | L | 85.5 | Confident | 82.4 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 137.4 | 175 | -62 | 178.2 | 0 | 0 | 0 | 110.3 | P645 R655 L668 Y670 L684 W692 P696 | P645-L647 PolarHBondContact O-N 3.14Å; L647-R655 PolarHBondContact O-NE 3.23Å; L647-R655 VanDerWaalsContact O-NE 3.11Å; L647-R655 PolarHBondContact O-NH1 3.36Å; L647-R655 VanDerWaalsContact O-NH1 3.08Å; L647-L668 HydrophobicContact CD1-CD1 4.32Å; L647-Y670 WeakPolarHBondContact CB-OH 3.18Å; L647-L684 HydrophobicContact CD1-CD2 3.54Å; L647-W692 HydrophobicContact CD1-CB 4.47Å; L647-W692 HydrophobicContact CD1-CD2 3.99Å; L647-W692 HydrophobicContact CD1-CG 3.77Å; L647-W692 HydrophobicContact CG-CG 4.43Å; L647-P696 HydrophobicContact CD1-CB 4.41Å; L647-P696 HydrophobicContact CD2-CG 4.43Å |
| 648 | P | 83.8 | Confident | 82 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 57% | 0.571 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 159.3 | 176.1 | 29.4 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 649 | P | 87.1 | Confident | 81.3 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 154.5 | 162.5 | 31.5 | -34.8 | 0 | 0 | 0 | 110.6 | R655 | P649-R655 HydrophobicContact CB-CG 4.41Š|
| 650 | P | 89.3 | Confident | 81 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.104 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 150.5 | 175.9 | 33.8 | -33.4 | 0 | 0 | 0 | 110.4 | W652 G653 Y670 | P650-W652 PolarHBondContact O-N 3.06Å; P650-G653 PolarHBondContact O-N 3.37Å; P650-Y670 HydrophobicContact CG-CD1 4.05Å |
| 651 | E | 87.2 | Confident | 80.9 | Confident | 158 Ų | 158 | 75.7 Ų | 75.7 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 138.1 | 167.4 | -63.5 | -170.8 | 172.3 | 0 | 0 | 110 | G653 C699 | E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.48Å; E651-C699 WeakPolarHBondContact O-CB 3.43Å |
| 652 | W | 87.6 | Confident | 81.6 | Confident | 140 Ų | 140 | 72 Ų | 72 | 53% | 0.53 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 37.9 | -176.9 | -42.7 | 96.8 | 0 | 0 | 0 | 113.3 | P650 E673 Y676 | P650-W652 PolarHBondContact O-N 3.06Å; W652-E673 WeakPolarHBondContact O-CB 3.36Å; W652-E673 PolarHBondContact O-N 3.08Å; W652-Y676 HydrophobicContact CB-CD1 3.72Å; W652-Y676 HydrophobicContact CB-CD2 4.17Å; W652-Y676 HydrophobicContact CB-CE1 3.53Å; W652-Y676 HydrophobicContact CB-CE2 4.04Å; W652-Y676 HydrophobicContact CB-CG 4.05Å; W652-Y676 AromaticContact CD1-CE1 3.66Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 AromaticContact CD2-CZ 3.88Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE1 3.47Å; W652-Y676 VanDerWaalsContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE2 4.29Å; W652-Y676 AromaticContact CG-CZ 3.56Å |
| 653 | G | 89 | Confident | 82.4 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | -172.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | P650 E651 Q671 | P650-G653 PolarHBondContact O-N 3.37Å; E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.48Å; G653-Q671 CarbonylContact C-O 3.49Å; G653-Q671 WeakPolarHBondContact CA-O 3.02Å |
| 654 | W | 89.6 | Confident | 82.8 | Confident | 105 Ų | 105 | 76.5 Ų | 76.5 | 40% | 0.398 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.7 | 177.8 | 62.3 | 94.2 | 0 | 0 | 0 | 111.5 | Q671 E673 | W654-Q671 HydrophobicContact CD2-CB 4.16Å; W654-Q671 HydrophobicContact CH2-CB 4.29Å; W654-Q671 HydrophobicContact CZ2-CB 3.65Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.16Å; W654-Q671 PolarHBondContact O-N 3.37Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.12Å |
| 655 | R | 90.9 | Very high | 82.8 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 24% | 0.242 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.2 | 168.2 | 67 | 175.6 | 179.4 | 134.7 | 5.4 | 109.9 | E646 L647 P649 T669 Y670 | E646-R655 IonicContact OE1-CZ 3.68Å; E646-R655 IonicContact OE1-NH1 3.09Å; E646-R655 IonicContact OE1-NH2 3.69Å; E646-R655 PolarHBondContact OE1-NH2 3.31Å; L647-R655 PolarHBondContact O-NE 3.23Å; L647-R655 VanDerWaalsContact O-NE 3.11Å; L647-R655 PolarHBondContact O-NH1 3.36Å; L647-R655 VanDerWaalsContact O-NH1 3.08Å; P649-R655 HydrophobicContact CB-CG 4.41Å; R655-T669 CarbonylContact C-O 3.53Å; R655-T669 WeakPolarHBondContact CA-O 3.39Å; R655-Y670 HydrophobicContact CB-CD1 3.96Å; R655-Y670 HydrophobicContact CB-CE1 3.8Å; R655-Y670 HydrophobicContact CB-CG 4.39Å |
| 656 | T | 90.3 | Very high | 83 | Confident | 68 Ų | 68 | 75 Ų | 75 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.7 | 165.9 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | L668 T669 | T656-L668 CarbonylContact O-C 3.57Å; T656-L668 WeakPolarHBondContact O-CA 3.4Å; T656-T669 PolarHBondContact N-O 2.91Å; T656-T669 PolarHBondContact O-N 3.23Å |
| 657 | A | 87.1 | Confident | 83.5 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 44% | 0.438 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H659 L668 | A657-H659 VanDerWaalsContact C-N 3.33Å; A657-H659 VanDerWaalsContact CB-O 3.27Å; A657-H659 WeakPolarHBondContact CB-O 3.39Å; A657-L668 HydrophobicContact CB-CD2 3.64Å |
| 658 | S | 83.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -75.3 | -20.9 | 175.7 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | V667 | S658-V667 PolarHBondContact N-O 2.82Å; S658-V667 WeakPolarHBondContact OG-CA 3.5Å; S658-V667 PolarHBondContact OG-N 3.12Å; S658-V667 PolarHBondContact OG-O 3.27Å |
| 659 | H | 73.1 | Confident | 84.1 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 51% | 0.514 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -135.4 | 157.8 | 174.9 | -69.5 | 81.1 | 0 | 0 | 0 | 109.2 | A657 T666 | A657-H659 VanDerWaalsContact C-N 3.33Å; A657-H659 VanDerWaalsContact CB-O 3.27Å; A657-H659 WeakPolarHBondContact CB-O 3.39Å; H659-T666 HydrophobicContact CB-CG2 4.45Å |
| 660 | G | 71.3 | Confident | 84.4 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 86% | 0.856 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -67.8 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 661 | D | 68.5 | Low | 84.5 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -93.6 | 142.5 | 174.7 | -60.9 | -62.2 | 0 | 0 | 0 | 111.4 | I663 T666 | D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.98Å; D661-T666 PolarHBondContact O-OG1 2.6Å |
| 662 | L | 79.3 | Confident | 84.7 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -80.3 | 42.1 | -175.5 | -58.9 | 179 | 0 | 0 | 0 | 113.4 | T643 C644 E646 T666 L668 W692 | T643-L662 CarbonylContact C-O 3.54Å; T643-L662 VanDerWaalsContact CA-O 3.31Å; T643-L662 WeakPolarHBondContact CA-O 3.36Å; C644-L662 PolarHBondContact N-O 2.92Å; E646-L662 HydrophobicContact CB-CD1 3.91Å; E646-L662 HydrophobicContact CG-CD1 4.04Å; L662-T666 HydrophobicContact CD2-CG2 4.4Å; L662-L668 HydrophobicContact CD2-CD2 3.97Å; L662-W692 HydrophobicContact CB-CZ2 4.37Å; L662-W692 HydrophobicContact CD1-CZ2 4.42Å; L662-W692 HydrophobicContact CD2-CH2 4.34Å; L662-W692 HydrophobicContact CD2-CZ2 4.47Å | ||
| 663 | I | 79.9 | Confident | 84.7 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 35% | 0.354 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 165.1 | -176.8 | 60.5 | 172.9 | 0 | 0 | 0 | 113.9 | D642 T643 D661 G665 T666 C686 | D642-I663 WeakPolarHBondContact O-CA 3.26Å; T643-I663 HydrophobicContact CG2-CG2 4.03Å; D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.98Å; I663-G665 PolarHBondContact O-N 3.45Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.72Å; I663-T666 WeakPolarHBondContact O-CB 3.44Å; I663-T666 PolarHBondContact O-N 2.76Å; I663-T666 PolarHBondContact O-OG1 3.42Å; I663-C686 WeakPolarHBondContact O-CB 3.29Å; I663-C686 PolarHBondContact O-SG 2.84Å |
| 664 | R | 77.5 | Confident | 84.5 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | 131.5 | 170.4 | -74.8 | 178.4 | 167.2 | 141.7 | -3.8 | 112.5 | D642 T666 W688 L690 | D642-R664 PolarHBondContact O-N 3.41Å; D642-R664 VanDerWaalsContact O-N 3.08Å; D642-R664 IonicContact OD1-NH1 3.32Å; R664-T666 PolarHBondContact O-N 2.75Å; R664-W688 VanDerWaalsContact CZ-O 3.3Å; R664-W688 PolarHBondContact NE-O 2.9Å; R664-W688 PolarHBondContact NH2-O 3.46Å; R664-L690 HydrophobicContact CG-CD2 3.59Å |
| 665 | G | 78.5 | Confident | 84 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -8.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I663 V667 C686 | I663-G665 PolarHBondContact O-N 3.45Å; G665-V667 PolarHBondContact O-N 2.98Å; G665-C686 PolarHBondContact N-O 3.02Å |
| 666 | T | 83.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 126.8 | 172.9 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | H659 D661 L662 I663 R664 C686 | H659-T666 HydrophobicContact CB-CG2 4.45Å; D661-T666 PolarHBondContact O-OG1 2.6Å; L662-T666 HydrophobicContact CD2-CG2 4.4Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.72Å; I663-T666 WeakPolarHBondContact O-CB 3.44Å; I663-T666 PolarHBondContact O-N 2.76Å; I663-T666 PolarHBondContact O-OG1 3.42Å; R664-T666 PolarHBondContact O-N 2.75Å; T666-C686 PolarHBondContact O-N 3.19Å |
| 667 | V | 90.3 | Very high | 83.7 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129 | 172.8 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | S658 G665 I683 L684 T685 | S658-V667 PolarHBondContact N-O 2.82Å; S658-V667 WeakPolarHBondContact OG-CA 3.5Å; S658-V667 PolarHBondContact OG-N 3.12Å; S658-V667 PolarHBondContact OG-O 3.27Å; G665-V667 PolarHBondContact O-N 2.98Å; V667-I683 HydrophobicContact CG1-CG2 3.47Å; V667-I683 VanDerWaalsContact CG1-CG2 3.47Å; V667-L684 WeakPolarHBondContact CA-O 3.38Å; V667-T685 HydrophobicContact CG1-CG2 4.3Å; V667-T685 HydrophobicContact CG2-CG2 4.14Å |
| 668 | L | 90.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 140.4 | 164.3 | -67.4 | 179.6 | 0 | 0 | 0 | 109.4 | L647 T656 A657 L662 Y670 I683 L684 W692 | L647-L668 HydrophobicContact CD1-CD1 4.32Å; T656-L668 CarbonylContact O-C 3.57Å; T656-L668 WeakPolarHBondContact O-CA 3.4Å; A657-L668 HydrophobicContact CB-CD2 3.64Å; L662-L668 HydrophobicContact CD2-CD2 3.97Å; L668-Y670 HydrophobicContact CB-CE2 3.93Å; L668-Y670 HydrophobicContact CD1-CE2 4.25Å; L668-I683 WeakPolarHBondContact O-CA 3.06Å; L668-L684 HydrophobicContact CB-CB 4.35Å; L668-L684 PolarHBondContact N-O 2.95Å; L668-L684 PolarHBondContact O-N 3.44Å; L668-W692 HydrophobicContact CB-CZ3 4.44Å; L668-W692 HydrophobicContact CD1-CE3 4.26Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.74Å; L668-W692 HydrophobicContact CD1-CZ3 3.72Å; L668-W692 HydrophobicContact CD2-CH2 4.48Å; L668-W692 HydrophobicContact CG-CH2 3.61Å; L668-W692 HydrophobicContact CG-CZ2 4.38Å; L668-W692 HydrophobicContact CG-CZ3 3.73Å |
| 669 | T | 91.9 | Very high | 84.2 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 26% | 0.258 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.9 | 173 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | R655 T656 D682 I683 | R655-T669 CarbonylContact C-O 3.53Å; R655-T669 WeakPolarHBondContact CA-O 3.39Å; T656-T669 PolarHBondContact N-O 2.91Å; T656-T669 PolarHBondContact O-N 3.23Å; T669-D682 CarbonylContact C-O 3.4Å; T669-D682 WeakPolarHBondContact CA-O 3.4Å; T669-I683 HydrophobicContact CG2-CG1 4.49Å |
| 670 | Y | 92.6 | Very high | 84.9 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.2 | -177.3 | -73.5 | -99.7 | 0 | 0 | 0 | 110.9 | L647 P650 R655 L668 D682 L684 P697 | L647-Y670 WeakPolarHBondContact CB-OH 3.18Å; P650-Y670 HydrophobicContact CG-CD1 4.05Å; R655-Y670 HydrophobicContact CB-CD1 3.96Å; R655-Y670 HydrophobicContact CB-CE1 3.8Å; R655-Y670 HydrophobicContact CB-CG 4.39Å; L668-Y670 HydrophobicContact CB-CE2 3.93Å; L668-Y670 HydrophobicContact CD1-CE2 4.25Å; Y670-D682 PolarHBondContact N-O 3.37Å; Y670-L684 HydrophobicContact CD2-CD1 4.2Å; Y670-L684 HydrophobicContact CE2-CB 4.45Å; Y670-L684 HydrophobicContact CE2-CD1 4.13Å; Y670-L684 HydrophobicContact CE2-CD2 4.15Å; Y670-L684 HydrophobicContact CE2-CG 4.48Å; Y670-P697 HydrophobicContact CD1-CG 3.69Å; Y670-P697 HydrophobicContact CD2-CG 3.98Å; Y670-P697 HydrophobicContact CE1-CG 4.37Å; Y670-P697 HydrophobicContact CG-CG 3.48Å; Y670-P697 VanDerWaalsContact CG-CG 3.48Å |
| 671 | Q | 91.2 | Very high | 85.7 | Confident | 86 Ų | 86 | 55 Ų | 55 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140 | -177.5 | -65.3 | 173.9 | 17.9 | 0 | 0 | 109.6 | G653 W654 | G653-Q671 CarbonylContact C-O 3.49Å; G653-Q671 WeakPolarHBondContact CA-O 3.02Å; W654-Q671 HydrophobicContact CD2-CB 4.16Å; W654-Q671 HydrophobicContact CH2-CB 4.29Å; W654-Q671 HydrophobicContact CZ2-CB 3.65Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.16Å; W654-Q671 PolarHBondContact O-N 3.37Å |
| 672 | C | 91.6 | Very high | 86.7 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 157.2 | 179.8 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | C699 | C672-C699 VanDerWaalsContact CA-SG 3.52Å; C672-C699 HydrophobicContact CB-CB 3.79Å; C672-C699 WeakPolarHBondContact CB-SG 3.31Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.26Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.03Å |
| 673 | E | 88.9 | Confident | 87.3 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -67 | 152.3 | 175 | -72.3 | -172.6 | 155.8 | 0 | 0 | 112.8 | W652 W654 G675 Y676 | W652-E673 WeakPolarHBondContact O-CB 3.36Å; W652-E673 PolarHBondContact O-N 3.08Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.12Å; E673-G675 PolarHBondContact O-N 3.43Å; E673-G675 VanDerWaalsContact O-N 3.07Å; E673-Y676 HydrophobicContact CB-CD2 4.42Å; E673-Y676 PolarHBondContact O-N 2.81Å |
| 674 | P | 84.6 | Confident | 87.8 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 116.8 | -179.3 | -25.7 | 35.2 | 0 | 0 | 0 | 112.5 | G753 | P674-G753 VanDerWaalsContact O-CA 3.29Å; P674-G753 WeakPolarHBondContact O-CA 3.44Å |
| 675 | G | 78.6 | Confident | 88.4 | Confident | 8 Ų | 8 | 51 Ų | 51 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.5 | -5.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E673 I702 | E673-G675 PolarHBondContact O-N 3.43Å; E673-G675 VanDerWaalsContact O-N 3.07Å; G675-I702 WeakPolarHBondContact O-CB 3.27Å; G675-I702 PolarHBondContact O-N 3.19Å |
| 676 | Y | 87 | Confident | 88.8 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.9 | 173.5 | -66 | -111.1 | 0 | 0 | 0 | 110.7 | W652 E673 C699 Q700 K701 | W652-Y676 HydrophobicContact CB-CD1 3.72Å; W652-Y676 HydrophobicContact CB-CD2 4.17Å; W652-Y676 HydrophobicContact CB-CE1 3.53Å; W652-Y676 HydrophobicContact CB-CE2 4.04Å; W652-Y676 HydrophobicContact CB-CG 4.05Å; W652-Y676 AromaticContact CD1-CE1 3.66Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 AromaticContact CD2-CZ 3.88Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE1 3.47Å; W652-Y676 VanDerWaalsContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE2 4.29Å; W652-Y676 AromaticContact CG-CZ 3.56Å; E673-Y676 HydrophobicContact CB-CD2 4.42Å; E673-Y676 PolarHBondContact O-N 2.81Å; Y676-C699 HydrophobicContact CD1-CB 4.26Å; Y676-Q700 CarbonylContact C-O 3.57Å; Y676-Q700 WeakPolarHBondContact CA-O 3.45Å; Y676-K701 HydrophobicContact CD1-CB 4Å; Y676-K701 HydrophobicContact CE1-CB 3.78Å; Y676-K701 HydrophobicContact CE1-CG 4.46Å |
| 677 | E | 88.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 43% | 0.425 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.2 | 173.1 | 61.8 | -172.1 | 173.1 | 0 | 0 | 110.8 | C699 Q700 I702 | E677-C699 CarbonylContact O-C 3.47Å; E677-C699 WeakPolarHBondContact O-CA 3.47Å; E677-Q700 HydrophobicContact CG-CB 4.47Å; E677-Q700 PolarHBondContact N-O 2.63Å; E677-Q700 PolarHBondContact O-N 3.18Å; E677-I702 HydrophobicContact CB-CD1 4.04Å; E677-I702 HydrophobicContact CB-CG1 3.82Å; E677-I702 HydrophobicContact CG-CG1 3.91Å |
| 678 | L | 89.9 | Confident | 87.7 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.7 | -176.9 | -172.9 | 121.9 | 0 | 0 | 0 | 110.9 | D682 P697 | L678-D682 HydrophobicContact CD2-CB 3.94Å; L678-P697 HydrophobicContact CD1-CB 3.97Å; L678-P697 HydrophobicContact CD1-CG 3.88Å; L678-P697 HydrophobicContact CD2-CB 3.91Å; L678-P697 HydrophobicContact CD2-CG 4.35Å; L678-P697 HydrophobicContact CG-CB 3.86Å; L678-P697 HydrophobicContact CG-CG 4.31Å |
| 679 | L | 90.7 | Very high | 87.1 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 44% | 0.44 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 107.8 | 173.7 | -58.8 | -177.1 | 0 | 0 | 0 | 110.1 | P697 A698 Q700 | L679-P697 VanDerWaalsContact O-CA 3.26Å; L679-P697 WeakPolarHBondContact O-CA 3.35Å; L679-P697 VanDerWaalsContact O-CB 3.31Å; L679-P697 WeakPolarHBondContact O-CB 3.38Å; L679-A698 PolarHBondContact N-O 2.82Å; L679-A698 PolarHBondContact O-N 2.03Å; L679-Q700 HydrophobicContact CD1-CB 3.81Å; L679-Q700 HydrophobicContact CG-CB 4.2Å |
| 680 | G | 88 | Confident | 86.3 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 133.1 | -156 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 681 | S | 89.2 | Confident | 85.9 | Confident | 49 Ų | 49 | 67 Ų | 67 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | trans | -84.3 | 127.5 | 171.4 | -62 | 0 | 0 | 0 | 0 | 110.1 | I683 L684 P697 | S681-I683 VanDerWaalsContact C-N 3.26Å; S681-L684 WeakPolarHBondContact O-CD1 3.05Å; S681-P697 WeakPolarHBondContact O-CG 3.25Å | ||
| 682 | D | 89.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -69.1 | -26.5 | 171.7 | 64 | -34.2 | 0 | 0 | 0 | 112.2 | T669 Y670 L678 | T669-D682 CarbonylContact C-O 3.4Å; T669-D682 WeakPolarHBondContact CA-O 3.4Å; Y670-D682 PolarHBondContact N-O 3.37Å; L678-D682 HydrophobicContact CD2-CB 3.94Å |
| 683 | I | 91.8 | Very high | 85.6 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.1 | -179.9 | -62.1 | 172.5 | 0 | 0 | 0 | 110.5 | V667 L668 T669 S681 T685 | V667-I683 HydrophobicContact CG1-CG2 3.47Å; V667-I683 VanDerWaalsContact CG1-CG2 3.47Å; L668-I683 WeakPolarHBondContact O-CA 3.06Å; T669-I683 HydrophobicContact CG2-CG1 4.49Å; S681-I683 VanDerWaalsContact C-N 3.26Å; I683-T685 HydrophobicContact CG2-CG2 4.41Å |
| 684 | L | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.1 | 172.9 | -86.7 | 68.1 | 0 | 0 | 0 | 109.5 | L647 V667 L668 Y670 S681 W692 A694 | L647-L684 HydrophobicContact CD1-CD2 3.54Å; V667-L684 WeakPolarHBondContact CA-O 3.38Å; L668-L684 HydrophobicContact CB-CB 4.35Å; L668-L684 PolarHBondContact N-O 2.95Å; L668-L684 PolarHBondContact O-N 3.44Å; Y670-L684 HydrophobicContact CD2-CD1 4.2Å; Y670-L684 HydrophobicContact CE2-CB 4.45Å; Y670-L684 HydrophobicContact CE2-CD1 4.13Å; Y670-L684 HydrophobicContact CE2-CD2 4.15Å; Y670-L684 HydrophobicContact CE2-CG 4.48Å; S681-L684 WeakPolarHBondContact O-CD1 3.05Å; L684-W692 HydrophobicContact CB-CE3 4.04Å; L684-W692 HydrophobicContact CD2-CB 4.38Å; L684-A694 HydrophobicContact CD1-CB 4.39Å; L684-A694 WeakPolarHBondContact CD2-O 3.21Å; L684-A694 HydrophobicContact CG-CB 4.25Å |
| 685 | T | 89.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 62 Ų | 62 | 32% | 0.319 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.3 | 178.4 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | V667 I683 Q687 W692 S693 | V667-T685 HydrophobicContact CG1-CG2 4.3Å; V667-T685 HydrophobicContact CG2-CG2 4.14Å; I683-T685 HydrophobicContact CG2-CG2 4.41Å; T685-Q687 PolarHBondContact O-N 3.38Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; T685-S693 PolarHBondContact N-OG 2.9Å; T685-S693 PolarHBondContact O-N 3.25Å; T685-S693 WeakPolarHBondContact OG1-CB 3.45Å |
| 686 | C | 87.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 113.8 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 110 | C644 I663 G665 T666 W692 | C644-C686 HydrophobicContact CB-CB 3.87Å; C644-C686 WeakPolarHBondContact CB-SG 3.44Å; C644-C686 WeakPolarHBondContact SG-CA 3.49Å; C644-C686 WeakPolarHBondContact SG-CB 3.06Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 3.49Å; I663-C686 WeakPolarHBondContact O-CB 3.29Å; I663-C686 PolarHBondContact O-SG 2.84Å; G665-C686 PolarHBondContact N-O 3.02Å; T666-C686 PolarHBondContact O-N 3.19Å; C686-W692 HydrophobicContact CB-CE3 4.23Å; C686-W692 HydrophobicContact CB-CH2 3.95Å; C686-W692 HydrophobicContact CB-CZ3 3.78Å |
| 687 | Q | 81.3 | Confident | 86.4 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.393 | 36% | 0.358 | S | S | . | . | trans | -85.6 | 170.2 | -171.1 | -59.5 | -167.7 | 106.2 | 0 | 0 | 112.8 | T685 D689 L690 S691 | T685-Q687 PolarHBondContact O-N 3.38Å; Q687-D689 VanDerWaalsContact CB-OD1 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.3Å; Q687-D689 PolarHBondContact O-N 2.85Å; Q687-L690 PolarHBondContact O-N 2.88Å; Q687-S691 WeakPolarHBondContact CB-O 3.38Å; Q687-S691 PolarHBondContact N-O 3.3Å; Q687-S691 PolarHBondContact NE2-OG 3.24Å | ||
| 688 | W | 68.9 | Low | 86.5 | Confident | 211 Ų | 211 | 61.1 Ų | 61.1 | 80% | 0.799 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.7 | -178.3 | -78 | 104.3 | 0 | 0 | 0 | 114.1 | R664 L690 | R664-W688 VanDerWaalsContact CZ-O 3.3Å; R664-W688 PolarHBondContact NE-O 2.9Å; R664-W688 PolarHBondContact NH2-O 3.46Å; W688-L690 VanDerWaalsContact C-N 3.26Å; W688-L690 PolarHBondContact O-N 2.8Å |
| 689 | D | 77.8 | Confident | 86.6 | Confident | 110 Ų | 110 | 59.7 Ų | 59.7 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.8 | 175.9 | 66.4 | -10.5 | 0 | 0 | 0 | 113.9 | Q687 S691 | Q687-D689 VanDerWaalsContact CB-OD1 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.3Å; Q687-D689 PolarHBondContact O-N 2.85Å; D689-S691 VanDerWaalsContact C-N 3.26Å; D689-S691 PolarHBondContact O-N 3.42Å; D689-S691 VanDerWaalsContact OD1-CB 3.31Å; D689-S691 WeakPolarHBondContact OD1-CB 3.38Å; D689-S691 PolarHBondContact OD1-N 2.95Å; D689-S691 PolarHBondContact OD1-OG 2.93Å; D689-S691 PolarHBondContact OD2-OG 2.93Å; D689-S691 VanDerWaalsContact OD2-OG 3.08Å |
| 690 | L | 76.1 | Confident | 86.5 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 66.8 | 20.5 | -174.1 | -48.6 | 179.7 | 0 | 0 | 0 | 114.4 | D642 C644 P645 R664 Q687 W688 | D642-L690 WeakPolarHBondContact O-CD2 3.35Å; C644-L690 PolarHBondContact SG-O 2.98Å; C644-L690 VanDerWaalsContact SG-O 3.37Å; P645-L690 VanDerWaalsContact CD-O 3.27Å; P645-L690 WeakPolarHBondContact CD-O 3.25Å; R664-L690 HydrophobicContact CG-CD2 3.59Å; Q687-L690 PolarHBondContact O-N 2.88Å; W688-L690 VanDerWaalsContact C-N 3.26Å; W688-L690 PolarHBondContact O-N 2.8Å |
| 691 | S | 83.8 | Confident | 86.4 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | trans | -92.1 | 164.4 | 166.8 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | C644 Q687 D689 | C644-S691 PolarHBondContact SG-O 2.83Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; Q687-S691 WeakPolarHBondContact CB-O 3.38Å; Q687-S691 PolarHBondContact N-O 3.3Å; Q687-S691 PolarHBondContact NE2-OG 3.24Å; D689-S691 VanDerWaalsContact C-N 3.26Å; D689-S691 PolarHBondContact O-N 3.42Å; D689-S691 VanDerWaalsContact OD1-CB 3.31Å; D689-S691 WeakPolarHBondContact OD1-CB 3.38Å; D689-S691 PolarHBondContact OD1-N 2.95Å; D689-S691 PolarHBondContact OD1-OG 2.93Å; D689-S691 PolarHBondContact OD2-OG 2.93Å; D689-S691 VanDerWaalsContact OD2-OG 3.08Å | ||
| 692 | W | 87.9 | Confident | 86.2 | Confident | 29 Ų | 29 | 61 Ų | 61 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 144.1 | 166.8 | -68.2 | 103.1 | 0 | 0 | 0 | 111 | C644 P645 L647 L662 L668 L684 T685 C686 A694 | C644-W692 HydrophobicContact CB-CD2 4.25Å; C644-W692 HydrophobicContact CB-CH2 4.27Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å; P645-W692 PolarHBondContact O-NE1 2.96Å; L647-W692 HydrophobicContact CD1-CB 4.47Å; L647-W692 HydrophobicContact CD1-CD2 3.99Å; L647-W692 HydrophobicContact CD1-CG 3.77Å; L647-W692 HydrophobicContact CG-CG 4.43Å; L662-W692 HydrophobicContact CB-CZ2 4.37Å; L662-W692 HydrophobicContact CD1-CZ2 4.42Å; L662-W692 HydrophobicContact CD2-CH2 4.34Å; L662-W692 HydrophobicContact CD2-CZ2 4.47Å; L668-W692 HydrophobicContact CB-CZ3 4.44Å; L668-W692 HydrophobicContact CD1-CE3 4.26Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.74Å; L668-W692 HydrophobicContact CD1-CZ3 3.72Å; L668-W692 HydrophobicContact CD2-CH2 4.48Å; L668-W692 HydrophobicContact CG-CH2 3.61Å; L668-W692 HydrophobicContact CG-CZ2 4.38Å; L668-W692 HydrophobicContact CG-CZ3 3.73Å; L684-W692 HydrophobicContact CB-CE3 4.04Å; L684-W692 HydrophobicContact CD2-CB 4.38Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; C686-W692 HydrophobicContact CB-CE3 4.23Å; C686-W692 HydrophobicContact CB-CH2 3.95Å; C686-W692 HydrophobicContact CB-CZ3 3.78Å; W692-A694 PolarHBondContact O-N 2.91Å; W692-A694 VanDerWaalsContact O-N 3.12Å |
| 693 | S | 89.8 | Confident | 86 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 38% | 0.378 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -59.6 | -20.3 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 115.4 | T685 | T685-S693 PolarHBondContact N-OG 2.9Å; T685-S693 PolarHBondContact O-N 3.25Å; T685-S693 WeakPolarHBondContact OG1-CB 3.45Å |
| 694 | A | 87.3 | Confident | 85.8 | Confident | 31 Ų | 31 | 61 Ų | 61 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -153.7 | 167.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L684 W692 | L684-A694 HydrophobicContact CD1-CB 4.39Å; L684-A694 WeakPolarHBondContact CD2-O 3.21Å; L684-A694 HydrophobicContact CG-CB 4.25Å; W692-A694 PolarHBondContact O-N 2.91Å; W692-A694 VanDerWaalsContact O-N 3.12Å |
| 695 | A | 87.2 | Confident | 85.6 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 65% | 0.653 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 151.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 696 | P | 87.9 | Confident | 85.4 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 138.9 | 177.1 | 25.1 | -34.1 | 0 | 0 | 0 | 111.6 | L647 | L647-P696 HydrophobicContact CD1-CB 4.41Å; L647-P696 HydrophobicContact CD2-CG 4.43Å |
| 697 | P | 91.8 | Very high | 85.5 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 7% | 0.065 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 163.6 | 179.4 | 34 | -37.7 | 0 | 0 | 0 | 112.6 | Y670 L678 L679 S681 | Y670-P697 HydrophobicContact CD1-CG 3.69Å; Y670-P697 HydrophobicContact CD2-CG 3.98Å; Y670-P697 HydrophobicContact CE1-CG 4.37Å; Y670-P697 HydrophobicContact CG-CG 3.48Å; Y670-P697 VanDerWaalsContact CG-CG 3.48Å; L678-P697 HydrophobicContact CD1-CB 3.97Å; L678-P697 HydrophobicContact CD1-CG 3.88Å; L678-P697 HydrophobicContact CD2-CB 3.91Å; L678-P697 HydrophobicContact CD2-CG 4.35Å; L678-P697 HydrophobicContact CG-CB 3.86Å; L678-P697 HydrophobicContact CG-CG 4.31Å; L679-P697 VanDerWaalsContact O-CA 3.26Å; L679-P697 WeakPolarHBondContact O-CA 3.35Å; L679-P697 VanDerWaalsContact O-CB 3.31Å; L679-P697 WeakPolarHBondContact O-CB 3.38Å; S681-P697 WeakPolarHBondContact O-CG 3.25Å |
| 698 | A | 91.3 | Very high | 85.6 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L679 | L679-A698 PolarHBondContact N-O 2.82Å; L679-A698 PolarHBondContact O-N 2.03Å |
| 699 | C | 92.5 | Very high | 86.4 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 115.1 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | E651 C672 Y676 E677 | E651-C699 WeakPolarHBondContact O-CB 3.43Å; C672-C699 VanDerWaalsContact CA-SG 3.52Å; C672-C699 HydrophobicContact CB-CB 3.79Å; C672-C699 WeakPolarHBondContact CB-SG 3.31Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.26Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.03Å; Y676-C699 HydrophobicContact CD1-CB 4.26Å; E677-C699 CarbonylContact O-C 3.47Å; E677-C699 WeakPolarHBondContact O-CA 3.47Å |
| 700 | Q | 88.6 | Confident | 86.8 | Confident | 108 Ų | 108 | 56.4 Ų | 56.4 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.5 | 174.9 | -177.5 | 168.3 | 14.6 | 0 | 0 | 110.8 | Y676 E677 L679 I702 | Y676-Q700 CarbonylContact C-O 3.57Å; Y676-Q700 WeakPolarHBondContact CA-O 3.45Å; E677-Q700 HydrophobicContact CG-CB 4.47Å; E677-Q700 PolarHBondContact N-O 2.63Å; E677-Q700 PolarHBondContact O-N 3.18Å; L679-Q700 HydrophobicContact CD1-CB 3.81Å; L679-Q700 HydrophobicContact CG-CB 4.2Å; Q700-I702 PolarHBondContact O-N 3.01Å |
| 701 | K | 84.8 | Confident | 87.4 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.9 | 175.8 | -172.5 | 167.2 | -176.2 | 163.4 | 0 | 111.1 | Y676 M703 | Y676-K701 HydrophobicContact CD1-CB 4Å; Y676-K701 HydrophobicContact CE1-CB 3.78Å; Y676-K701 HydrophobicContact CE1-CG 4.46Å; K701-M703 HydrophobicContact CD-SD 4.23Å; K701-M703 HydrophobicContact CG-SD 4.13Å; K701-M703 PolarHBondContact O-N 3.33Å |
| 702 | I | 86.2 | Confident | 87.5 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 116.5 | 178.7 | -60.7 | 164.3 | 0 | 0 | 0 | 108.9 | G675 E677 Q700 T754 P755 | G675-I702 WeakPolarHBondContact O-CB 3.27Å; G675-I702 PolarHBondContact O-N 3.19Å; E677-I702 HydrophobicContact CB-CD1 4.04Å; E677-I702 HydrophobicContact CB-CG1 3.82Å; E677-I702 HydrophobicContact CG-CG1 3.91Å; Q700-I702 PolarHBondContact O-N 3.01Å; I702-T754 HydrophobicContact CD1-CG2 3.77Å; I702-P755 VanDerWaalsContact O-CD 3.25Å; I702-P755 WeakPolarHBondContact O-CD 3.27Å; I702-P755 WeakPolarHBondContact O-CG 3.38Å |
| 703 | M | 83.4 | Confident | 87.5 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 51% | 0.512 | 37% | 0.368 | S | S | . | . | trans | -112.4 | 12.6 | -175.7 | -65.2 | -61.7 | -67.8 | 0 | 0 | 113.8 | K701 P724 V725 | K701-M703 HydrophobicContact CD-SD 4.23Å; K701-M703 HydrophobicContact CG-SD 4.13Å; K701-M703 PolarHBondContact O-N 3.33Å; M703-P724 WeakPolarHBondContact O-CA 3.49Å; M703-V725 PolarHBondContact O-N 3.44Å | ||
| 704 | T | 87.4 | Confident | 87.3 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -123.3 | 153.6 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | G722 F723 | T704-G722 WeakPolarHBondContact CB-O 3.36Å; T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.39Å; T704-F723 CarbonylContact C-O 3.59Å; T704-F723 WeakPolarHBondContact CA-O 3.49Å |
| 705 | C | 86.7 | Confident | 87.4 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 144.4 | 167.4 | -72.4 | 0 | 0 | 0 | 0 | 110.6 | F723 C747 K756 W757 | C705-F723 HydrophobicContact CB-CB 4.48Å; C705-F723 PolarHBondContact N-O 3.07Å; C705-C747 HydrophobicContact CB-CB 3.88Å; C705-C747 WeakPolarHBondContact CB-SG 3.31Å; C705-C747 VanDerWaalsContact SG-CA 3.55Å; C705-C747 WeakPolarHBondContact SG-CB 3.37Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 3.1Å; C705-K756 VanDerWaalsContact SG-C 3.54Å; C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.61Å |
| 706 | A | 86 | Confident | 87.5 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 148.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P708 W757 | A706-P708 WeakPolarHBondContact O-CD 3.39Å; A706-W757 PolarHBondContact O-NE1 3.33Å |
| 707 | D | 87.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 120 | -178.5 | -173 | -9.5 | 0 | 0 | 0 | 111.2 | G709 R716 F723 | D707-G709 PolarHBondContact O-N 2.84Å; D707-G709 PolarHBondContact OD1-N 3.43Å; D707-R716 VanDerWaalsContact CG-NH1 3.35Å; D707-R716 IonicContact OD1-CZ 2.67Å; D707-R716 IonicContact OD1-NH1 3.79Å; D707-R716 PolarHBondContact OD1-NH1 3.36Å; D707-R716 IonicContact OD2-CZ 2.91Å; D707-R716 IonicContact OD2-NH1 3.61Å; D707-R716 PolarHBondContact OD2-NH1 2.94Å; D707-R716 IonicContact OD2-NH2 2.89Å; D707-R716 PolarHBondContact OD2-NH2 3.28Å; D707-F723 HydrophobicContact CB-CD2 4.38Å; D707-F723 HydrophobicContact CB-CE2 3.67Å; D707-F723 HydrophobicContact CB-CZ 4.39Å |
| 708 | P | 85.3 | Confident | 87.4 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | trans | -72.1 | -6.4 | 177 | 30.4 | -34.5 | 0 | 0 | 0 | 113.4 | A706 V729 L745 W757 V761 | A706-P708 WeakPolarHBondContact O-CD 3.39Å; P708-V729 HydrophobicContact CG-CG2 4.11Å; P708-L745 HydrophobicContact CB-CD1 4.1Å; P708-W757 HydrophobicContact CG-CD2 4.41Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; P708-V761 HydrophobicContact CB-CG2 4.29Å; P708-V761 WeakPolarHBondContact O-CG2 3.37Å | ||
| 709 | G | 85.1 | Confident | 87.3 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | 77.3 | -167.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D707 R716 Y731 | D707-G709 PolarHBondContact O-N 2.84Å; D707-G709 PolarHBondContact OD1-N 3.43Å; G709-R716 WeakPolarHBondContact O-CD 3.06Å; G709-R716 PolarHBondContact O-NH1 3.48Å; G709-Y731 PolarHBondContact O-OH 2.99Å | ||
| 710 | E | 86.4 | Confident | 86.9 | Confident | 148 Ų | 148 | 64.4 Ų | 64.4 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | trans | -112 | 153.2 | -173.9 | -72.7 | 178.7 | -168 | 0 | 0 | 112.3 | R716 | E710-R716 HydrophobicContact CG-CG 4.09Å; E710-R716 IonicContact OE1-CZ 2.98Å; E710-R716 VanDerWaalsContact OE1-CZ 3.27Å; E710-R716 IonicContact OE1-NE 2.64Å; E710-R716 PolarHBondContact OE1-NE 3.14Å; E710-R716 IonicContact OE1-NH2 3.63Å; E710-R716 PolarHBondContact OE1-NH2 2.9Å | ||
| 711 | I | 88.6 | Confident | 86.2 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | trans | -109.9 | 134.9 | -176.8 | 64.1 | 175.1 | 0 | 0 | 0 | 110.8 | G714 Y731 V761 P762 | I711-G714 PolarHBondContact O-N 3.28Å; I711-Y731 HydrophobicContact CB-CD1 4.46Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.85Å; I711-Y731 HydrophobicContact CG1-CE1 4.39Å; I711-Y731 HydrophobicContact CG2-CD1 3.83Å; I711-Y731 HydrophobicContact CG2-CE1 3.76Å; I711-V761 HydrophobicContact CG2-CG1 3.55Å; I711-P762 VanDerWaalsContact CG2-O 3.27Å; I711-P762 WeakPolarHBondContact CG2-O 3.29Å | ||
| 712 | A | 85.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 139.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | G714 C764 | A712-G714 VanDerWaalsContact C-N 3.25Å; A712-G714 PolarHBondContact O-N 2.84Å; A712-C764 WeakPolarHBondContact O-CB 3.4Å |
| 713 | N | 87.3 | Confident | 85.9 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 29.8 | -179.6 | -52.5 | -46.3 | 0 | 0 | 0 | 115.1 | L734 Y737 C764 | N713-L734 WeakPolarHBondContact O-CB 3.37Å; N713-L734 WeakPolarHBondContact O-CG 3.41Å; N713-L734 PolarHBondContact O-N 2.85Å; N713-Y737 HydrophobicContact CB-CD1 3.7Å; N713-Y737 HydrophobicContact CB-CD2 4.09Å; N713-Y737 HydrophobicContact CB-CE1 3.55Å; N713-Y737 HydrophobicContact CB-CE2 3.97Å; N713-Y737 HydrophobicContact CB-CG 3.97Å; N713-Y737 VanDerWaalsContact CG-CE1 3.5Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.34Å; N713-C764 HydrophobicContact CB-CB 4.16Å |
| 714 | G | 86.9 | Confident | 86.1 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -176.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I711 A712 R732 | I711-G714 PolarHBondContact O-N 3.28Å; A712-G714 VanDerWaalsContact C-N 3.25Å; A712-G714 PolarHBondContact O-N 2.84Å; G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.05Å |
| 715 | H | 88.5 | Confident | 86 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.4 | 169.9 | 60.7 | -78.3 | 0 | 0 | 0 | 110.4 | R732 | H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.35Å; H715-R732 PolarHBondContact N-O 3.45Å; H715-R732 PolarHBondContact ND1-O 3.45Å; H715-R732 PolarHBondContact O-N 2.03Å |
| 716 | R | 89.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 28% | 0.275 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 155.9 | 172.9 | 66.3 | 175.5 | 174.5 | 169.5 | -5.5 | 111.2 | D707 G709 E710 V729 Q730 Y731 | D707-R716 VanDerWaalsContact CG-NH1 3.35Å; D707-R716 IonicContact OD1-CZ 2.67Å; D707-R716 IonicContact OD1-NH1 3.79Å; D707-R716 PolarHBondContact OD1-NH1 3.36Å; D707-R716 IonicContact OD2-CZ 2.91Å; D707-R716 IonicContact OD2-NH1 3.61Å; D707-R716 PolarHBondContact OD2-NH1 2.94Å; D707-R716 IonicContact OD2-NH2 2.89Å; D707-R716 PolarHBondContact OD2-NH2 3.28Å; G709-R716 WeakPolarHBondContact O-CD 3.06Å; G709-R716 PolarHBondContact O-NH1 3.48Å; E710-R716 HydrophobicContact CG-CG 4.09Å; E710-R716 IonicContact OE1-CZ 2.98Å; E710-R716 VanDerWaalsContact OE1-CZ 3.27Å; E710-R716 IonicContact OE1-NE 2.64Å; E710-R716 PolarHBondContact OE1-NE 3.14Å; E710-R716 IonicContact OE1-NH2 3.63Å; E710-R716 PolarHBondContact OE1-NH2 2.9Å; R716-V729 HydrophobicContact CB-CG1 4.23Å; R716-Q730 CarbonylContact C-O 3.55Å; R716-Q730 WeakPolarHBondContact CA-O 3.28Å; R716-Y731 HydrophobicContact CB-CD1 3.8Å; R716-Y731 HydrophobicContact CB-CE1 3.61Å |
| 717 | T | 89.8 | Confident | 86.1 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 112.1 | 171.3 | -52.1 | 0 | 0 | 0 | 0 | 107.9 | Q730 | T717-Q730 PolarHBondContact N-O 3.43Å; T717-Q730 PolarHBondContact O-N 3.01Å |
| 718 | A | 88.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 150.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F723 V729 | A718-F723 HydrophobicContact CB-CE1 3.88Å; A718-V729 HydrophobicContact CB-CG2 4.07Å |
| 719 | S | 87.8 | Confident | 86.5 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -71.4 | -43.7 | 172.9 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | S727 H728 | S719-S727 WeakPolarHBondContact OG-CA 3.01Å; S719-H728 PolarHBondContact N-O 2.76Å; S719-H728 PolarHBondContact OG-N 2.94Å; S719-H728 PolarHBondContact OG-O 2.82Å |
| 720 | D | 85.1 | Confident | 86.8 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -135.9 | 148.9 | -169 | -43.2 | -83.1 | 0 | 0 | 0 | 111.4 | P724 S727 | D720-P724 HydrophobicContact CB-CG 4.47Å; D720-S727 WeakPolarHBondContact CB-OG 3.49Å; D720-S727 WeakPolarHBondContact OD2-CB 3.02Å; D720-S727 PolarHBondContact OD2-OG 3.43Å |
| 721 | A | 74.1 | Confident | 87.1 | Confident | 107 Ų | 107 | 51.2 Ų | 51.2 | 88% | 0.884 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 127 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 722 | G | 75.3 | Confident | 87.1 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 46% | 0.464 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 0.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T704 | T704-G722 WeakPolarHBondContact CB-O 3.36Å; T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.39Å |
| 723 | F | 88.9 | Confident | 87.3 | Confident | 28 Ų | 28 | 54 Ų | 54 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | 49 | 52 | 170.3 | -44.6 | -71.9 | 0 | 0 | 0 | 116.6 | T704 C705 D707 A718 V729 W757 | T704-F723 CarbonylContact C-O 3.59Å; T704-F723 WeakPolarHBondContact CA-O 3.49Å; C705-F723 HydrophobicContact CB-CB 4.48Å; C705-F723 PolarHBondContact N-O 3.07Å; D707-F723 HydrophobicContact CB-CD2 4.38Å; D707-F723 HydrophobicContact CB-CE2 3.67Å; D707-F723 HydrophobicContact CB-CZ 4.39Å; A718-F723 HydrophobicContact CB-CE1 3.88Å; F723-V729 HydrophobicContact CD1-CG2 3.97Å; F723-V729 HydrophobicContact CE1-CG2 3.71Å; F723-W757 HydrophobicContact CB-CH2 3.97Å; F723-W757 HydrophobicContact CB-CZ2 3.78Å; F723-W757 AromaticContact CD1-CH2 3.77Å; F723-W757 HydrophobicContact CD1-CH2 3.77Å; F723-W757 AromaticContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CH2 4.12Å; F723-W757 AromaticContact CG-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CZ2 3.84Å | ||
| 724 | P | 87.7 | Confident | 87.3 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -57.5 | 161.9 | 169.5 | 26.1 | -35.1 | 0 | 0 | 0 | 113 | M703 D720 G726 S727 | M703-P724 WeakPolarHBondContact O-CA 3.49Å; D720-P724 HydrophobicContact CB-CG 4.47Å; P724-G726 PolarHBondContact O-N 2.84Å; P724-S727 WeakPolarHBondContact CD-OG 3.35Å; P724-S727 WeakPolarHBondContact CG-OG 3.09Å; P724-S727 VanDerWaalsContact O-CB 3.25Å; P724-S727 WeakPolarHBondContact O-CB 3.45Å; P724-S727 PolarHBondContact O-N 2.96Å; P724-S727 PolarHBondContact O-OG 3.43Å |
| 725 | V | 86.3 | Confident | 87 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 128.2 | 170.5 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | M703 P755 | M703-V725 PolarHBondContact O-N 3.44Å; V725-P755 HydrophobicContact CG2-CB 3.94Å; V725-P755 HydrophobicContact CG2-CG 3.96Å |
| 726 | G | 84.5 | Confident | 86.3 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -19.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P724 C747 | P724-G726 PolarHBondContact O-N 2.84Å; G726-C747 PolarHBondContact N-O 3.47Å |
| 727 | S | 89.3 | Confident | 86 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | trans | -62.9 | 151.1 | 175 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | S719 D720 P724 C747 | S719-S727 WeakPolarHBondContact OG-CA 3.01Å; D720-S727 WeakPolarHBondContact CB-OG 3.49Å; D720-S727 WeakPolarHBondContact OD2-CB 3.02Å; D720-S727 PolarHBondContact OD2-OG 3.43Å; P724-S727 WeakPolarHBondContact CD-OG 3.35Å; P724-S727 WeakPolarHBondContact CG-OG 3.09Å; P724-S727 VanDerWaalsContact O-CB 3.25Å; P724-S727 WeakPolarHBondContact O-CB 3.45Å; P724-S727 PolarHBondContact O-N 2.96Å; P724-S727 PolarHBondContact O-OG 3.43Å; S727-C747 PolarHBondContact O-N 3.32Å | ||
| 728 | H | 90.9 | Very high | 85.6 | Confident | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.9 | 179 | 54.6 | -85.4 | 0 | 0 | 0 | 112.6 | S719 M744 L745 T746 | S719-H728 PolarHBondContact N-O 2.76Å; S719-H728 PolarHBondContact OG-N 2.94Å; S719-H728 PolarHBondContact OG-O 2.82Å; H728-M744 HydrophobicContact CB-CG 4.16Å; H728-M744 HydrophobicContact CB-SD 4.12Å; H728-L745 CarbonylContact C-O 3.55Å; H728-L745 WeakPolarHBondContact CA-O 3.18Å; H728-T746 HydrophobicContact CB-CG2 4.01Å |
| 729 | V | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.9 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | P708 R716 A718 F723 Y731 M744 L745 W757 | P708-V729 HydrophobicContact CG-CG2 4.11Å; R716-V729 HydrophobicContact CB-CG1 4.23Å; A718-V729 HydrophobicContact CB-CG2 4.07Å; F723-V729 HydrophobicContact CD1-CG2 3.97Å; F723-V729 HydrophobicContact CE1-CG2 3.71Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.27Å; V729-Y731 HydrophobicContact CG1-CE1 4.4Å; V729-Y731 HydrophobicContact CG1-CE2 3.66Å; V729-M744 CarbonylContact O-C 3.52Å; V729-M744 VanDerWaalsContact O-CA 3.32Å; V729-M744 WeakPolarHBondContact O-CA 3.1Å; V729-L745 PolarHBondContact N-O 2.97Å; V729-L745 PolarHBondContact O-N 2.9Å; V729-W757 HydrophobicContact CG2-CH2 3.73Å; V729-W757 HydrophobicContact CG2-CZ2 4.39Å; V729-W757 HydrophobicContact CG2-CZ3 4.05Å |
| 730 | Q | 91.8 | Very high | 85.5 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.7 | 173.3 | -173.5 | 170.5 | 80.2 | 0 | 0 | 110.5 | R716 T717 R732 A743 M744 | R716-Q730 CarbonylContact C-O 3.55Å; R716-Q730 WeakPolarHBondContact CA-O 3.28Å; T717-Q730 PolarHBondContact N-O 3.43Å; T717-Q730 PolarHBondContact O-N 3.01Å; Q730-R732 HydrophobicContact CG-CG 4.48Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.25Å; Q730-A743 WeakPolarHBondContact CA-O 3.45Å; Q730-A743 WeakPolarHBondContact CG-O 3.32Å; Q730-M744 HydrophobicContact CB-CE 4.2Å |
| 731 | Y | 91.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.4 | 177.4 | -71.7 | -81 | 0 | 0 | 0 | 110.7 | G709 I711 R716 V729 L739 A743 L745 P762 | G709-Y731 PolarHBondContact O-OH 2.99Å; I711-Y731 HydrophobicContact CB-CD1 4.46Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.85Å; I711-Y731 HydrophobicContact CG1-CE1 4.39Å; I711-Y731 HydrophobicContact CG2-CD1 3.83Å; I711-Y731 HydrophobicContact CG2-CE1 3.76Å; R716-Y731 HydrophobicContact CB-CD1 3.8Å; R716-Y731 HydrophobicContact CB-CE1 3.61Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.27Å; V729-Y731 HydrophobicContact CG1-CE1 4.4Å; V729-Y731 HydrophobicContact CG1-CE2 3.66Å; Y731-L739 WeakPolarHBondContact O-CD1 3.36Å; Y731-A743 PolarHBondContact N-O 2.8Å; Y731-L745 HydrophobicContact CE2-CD1 3.87Å; Y731-L745 HydrophobicContact CE2-CG 4.12Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.7Å; Y731-P762 HydrophobicContact CE2-CG 4.41Å; Y731-P762 HydrophobicContact CG-CG 3.72Å |
| 732 | R | 90 | Very high | 86.2 | Confident | 128 Ų | 128 | 54.9 Ų | 54.9 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 126.1 | -178.8 | -63.3 | 179.5 | -172.2 | 170.7 | 2.6 | 110.4 | G714 H715 Q730 | G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.05Å; H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.35Å; H715-R732 PolarHBondContact N-O 3.45Å; H715-R732 PolarHBondContact ND1-O 3.45Å; H715-R732 PolarHBondContact O-N 2.03Å; Q730-R732 HydrophobicContact CG-CG 4.48Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.25Å |
| 733 | C | 89.1 | Confident | 86.8 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 158.5 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | L739 C764 | C733-L739 VanDerWaalsContact SG-CA 3.54Å; C733-L739 VanDerWaalsContact SG-CB 3.58Å; C733-C764 WeakPolarHBondContact CA-SG 3.32Å; C733-C764 HydrophobicContact CB-CB 3.82Å; C733-C764 WeakPolarHBondContact CB-SG 3.32Å; C733-C764 WeakPolarHBondContact SG-CA 3.28Å; C733-C764 WeakPolarHBondContact SG-CB 3.05Å; C733-C764 CovalentContact SG-SG 2.04Å; C733-C764 PolarHBondContact SG-SG 3.06Å |
| 734 | L | 86.7 | Confident | 86.8 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 157.7 | 170.4 | -65.2 | 177.5 | 0 | 0 | 0 | 111 | N713 G736 Y737 | N713-L734 WeakPolarHBondContact O-CB 3.37Å; N713-L734 WeakPolarHBondContact O-CG 3.41Å; N713-L734 PolarHBondContact O-N 2.85Å; L734-G736 PolarHBondContact O-N 3.2Å; L734-Y737 HydrophobicContact CB-CD2 4.34Å; L734-Y737 WeakPolarHBondContact O-CB 3.37Å; L734-Y737 PolarHBondContact O-N 3.07Å |
| 735 | P | 81.9 | Confident | 87 | Confident | 125 Ų | 125 | 55.2 Ų | 55.2 | 81% | 0.812 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 136.7 | 176.1 | -26.8 | 35.7 | 0 | 0 | 0 | 112.7 | Y737 | P735-Y737 VanDerWaalsContact C-N 3.35Š|
| 736 | G | 73 | Confident | 87.2 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -11.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L734 K767 | L734-G736 PolarHBondContact O-N 3.2Å; G736-K767 PolarHBondContact O-N 2.83Å |
| 737 | Y | 82.4 | Confident | 87.5 | 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 | -112 | 141.8 | 177.9 | -63.3 | -101.8 | 0 | 0 | 0 | 111.8 | N713 L734 P735 C764 A765 L766 | N713-Y737 HydrophobicContact CB-CD1 3.7Å; N713-Y737 HydrophobicContact CB-CD2 4.09Å; N713-Y737 HydrophobicContact CB-CE1 3.55Å; N713-Y737 HydrophobicContact CB-CE2 3.97Å; N713-Y737 HydrophobicContact CB-CG 3.97Å; N713-Y737 VanDerWaalsContact CG-CE1 3.5Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.34Å; L734-Y737 HydrophobicContact CB-CD2 4.34Å; L734-Y737 WeakPolarHBondContact O-CB 3.37Å; L734-Y737 PolarHBondContact O-N 3.07Å; P735-Y737 VanDerWaalsContact C-N 3.35Å; Y737-C764 HydrophobicContact CD1-CB 4.29Å; Y737-C764 HydrophobicContact CG-CB 4.47Å; Y737-A765 CarbonylContact C-O 3.34Å; Y737-A765 WeakPolarHBondContact CA-O 3.44Å; Y737-L766 HydrophobicContact CD1-CD2 3.96Å; Y737-L766 HydrophobicContact CD1-CG 4.01Å; Y737-L766 HydrophobicContact CD2-CD2 4.24Å; Y737-L766 HydrophobicContact CE1-CD2 3.51Å; Y737-L766 HydrophobicContact CE1-CG 3.51Å; Y737-L766 HydrophobicContact CE2-CD2 3.81Å; Y737-L766 HydrophobicContact CG-CD2 4.29Å; Y737-L766 VanDerWaalsContact CZ-CD2 3.42Å |
| 738 | S | 82.1 | Confident | 87.5 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.6 | 171.2 | 44.8 | 0 | 0 | 0 | 0 | 111.5 | C764 A765 | S738-C764 WeakPolarHBondContact O-CA 3.41Å; S738-A765 PolarHBondContact N-O 2.98Å; S738-A765 PolarHBondContact O-N 2.98Å |
| 739 | L | 86.3 | Confident | 87.1 | Confident | 52 Ų | 52 | 58.4 Ų | 58.4 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.9 | -178 | -168.1 | 144.5 | 0 | 0 | 0 | 111.1 | Y731 C733 G741 A743 P762 K763 | Y731-L739 WeakPolarHBondContact O-CD1 3.36Å; C733-L739 VanDerWaalsContact SG-CA 3.54Å; C733-L739 VanDerWaalsContact SG-CB 3.58Å; L739-G741 VanDerWaalsContact CD2-O 3.28Å; L739-G741 WeakPolarHBondContact CD2-O 3.37Å; L739-A743 HydrophobicContact CD1-CB 4.49Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; L739-P762 HydrophobicContact CD1-CB 4.3Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.74Å; L739-P762 HydrophobicContact CD2-CG 4.42Å; L739-P762 HydrophobicContact CG-CB 4Å; L739-K763 CarbonylContact C-O 3.58Å; L739-K763 WeakPolarHBondContact CA-O 3.44Å |
| 740 | E | 87.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.3 | 174.7 | -63 | -176.8 | 159.7 | 0 | 0 | 109.1 | P762 K763 A765 | E740-P762 CarbonylContact O-C 3.49Å; E740-P762 WeakPolarHBondContact O-CA 3.43Å; E740-P762 WeakPolarHBondContact O-CB 3.43Å; E740-K763 PolarHBondContact N-O 3.41Å; E740-K763 PolarHBondContact O-N 2.9Å; E740-A765 HydrophobicContact CG-CB 4.1Å; E740-A765 WeakPolarHBondContact OE1-CB 3.27Å |
| 741 | G | 85.7 | Confident | 85.3 | Confident | 62 Ų | 62 | 68 Ų | 68 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 115.2 | -164.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L739 A743 | L739-G741 VanDerWaalsContact CD2-O 3.28Å; L739-G741 WeakPolarHBondContact CD2-O 3.37Å; G741-A743 PolarHBondContact O-N 2.88Å |
| 742 | A | 88.1 | Confident | 84 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 20% | 0.198 | 41% | 0.413 | C | S | . | . | trans | -72.9 | 122.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | M744 L745 D759 P762 | A742-M744 PolarHBondContact O-N 2.91Å; A742-L745 HydrophobicContact CB-CD2 3.98Å; A742-D759 HydrophobicContact CB-CB 3.88Å; A742-P762 WeakPolarHBondContact O-CG 3.31Å | ||
| 743 | A | 87.2 | Confident | 83.1 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -72 | -12.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q730 Y731 L739 G741 | Q730-A743 WeakPolarHBondContact CA-O 3.45Å; Q730-A743 WeakPolarHBondContact CG-O 3.32Å; Y731-A743 PolarHBondContact N-O 2.8Å; L739-A743 HydrophobicContact CD1-CB 4.49Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; G741-A743 PolarHBondContact O-N 2.88Å |
| 744 | M | 90.7 | Very high | 82.7 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 40% | 0.399 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.7 | 175.8 | -180 | 178 | -76.8 | 0 | 0 | 109.2 | H728 V729 Q730 A742 | H728-M744 HydrophobicContact CB-CG 4.16Å; H728-M744 HydrophobicContact CB-SD 4.12Å; V729-M744 CarbonylContact O-C 3.52Å; V729-M744 VanDerWaalsContact O-CA 3.32Å; V729-M744 WeakPolarHBondContact O-CA 3.1Å; Q730-M744 HydrophobicContact CB-CE 4.2Å; A742-M744 PolarHBondContact O-N 2.91Å |
| 745 | L | 91.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131 | 171 | -55.6 | -178.4 | 0 | 0 | 0 | 109.5 | P708 H728 V729 Y731 A742 W757 S758 D759 | P708-L745 HydrophobicContact CB-CD1 4.1Å; H728-L745 CarbonylContact C-O 3.55Å; H728-L745 WeakPolarHBondContact CA-O 3.18Å; V729-L745 PolarHBondContact N-O 2.97Å; V729-L745 PolarHBondContact O-N 2.9Å; Y731-L745 HydrophobicContact CE2-CD1 3.87Å; Y731-L745 HydrophobicContact CE2-CG 4.12Å; A742-L745 HydrophobicContact CB-CD2 3.98Å; L745-W757 HydrophobicContact CB-CD2 4.36Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.37Å; L745-S758 WeakPolarHBondContact CA-OG 3.18Å; L745-D759 HydrophobicContact CD2-CB 3.52Å |
| 746 | T | 90.6 | Very high | 83 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141 | 170.4 | 40.1 | 0 | 0 | 0 | 0 | 111.8 | H728 Y748 W757 S758 | H728-T746 HydrophobicContact CB-CG2 4.01Å; T746-Y748 WeakPolarHBondContact OG1-CE2 3.46Å; T746-Y748 PolarHBondContact OG1-OH 2.8Å; T746-W757 CarbonylContact O-C 3.59Å; T746-W757 WeakPolarHBondContact O-CA 3.37Å; T746-S758 PolarHBondContact N-OG 2.86Å; T746-S758 PolarHBondContact O-N 3.06Å; T746-S758 PolarHBondContact O-OG 2.79Å; T746-S758 WeakPolarHBondContact OG1-CB 3.33Å; T746-S758 PolarHBondContact OG1-OG 2.98Å |
| 747 | C | 91.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.1 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | C705 G726 S727 W757 | C705-C747 HydrophobicContact CB-CB 3.88Å; C705-C747 WeakPolarHBondContact CB-SG 3.31Å; C705-C747 VanDerWaalsContact SG-CA 3.55Å; C705-C747 WeakPolarHBondContact SG-CB 3.37Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 3.1Å; G726-C747 PolarHBondContact N-O 3.47Å; S727-C747 PolarHBondContact O-N 3.32Å; C747-W757 HydrophobicContact CB-CE3 4.03Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.43Å; C747-W757 HydrophobicContact CB-CZ3 3.7Å |
| 748 | Y | 87.4 | Confident | 84.1 | Confident | 145 Ų | 145 | 65.7 Ų | 65.7 | 57% | 0.569 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.2 | 177.4 | -69.2 | -65.8 | 0 | 0 | 0 | 111.6 | T746 P755 K756 | T746-Y748 WeakPolarHBondContact OG1-CE2 3.46Å; T746-Y748 PolarHBondContact OG1-OH 2.8Å; Y748-P755 CarbonylContact O-C 3.52Å; Y748-P755 VanDerWaalsContact O-CA 3.31Å; Y748-P755 WeakPolarHBondContact O-CA 3.37Å; Y748-K756 PolarHBondContact N-O 3.1Å; Y748-K756 PolarHBondContact O-N 2.87Å |
| 749 | S | 82.9 | Confident | 84.4 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | trans | -65.2 | 153.8 | 163.9 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 750 | R | 78.8 | Confident | 84.5 | Confident | 110 Ų | 110 | 76 Ų | 76 | 42% | 0.415 | 40% | 0.404 | S | S | . | . | trans | -129.2 | 143.7 | 167.2 | -160.2 | 171.1 | 75.1 | -118.7 | 6.9 | 108.5 | T752 T754 | R750-T752 VanDerWaalsContact C-N 3.32Å; R750-T752 PolarHBondContact NE-O 2.91Å; R750-T752 PolarHBondContact NH2-O 2.93Å; R750-T754 PolarHBondContact NH1-O 2.88Å | ||
| 751 | D | 67.3 | Low | 84.6 | Confident | 151 Ų | 151 | 73.5 Ų | 73.5 | 81% | 0.807 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -70.7 | -34 | -177.7 | -51.6 | -63.5 | 0 | 0 | 0 | 111.4 | ||
| 752 | T | 62.9 | Low | 84.8 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 71% | 0.712 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -116.4 | 87.4 | 179.8 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | R750 | R750-T752 VanDerWaalsContact C-N 3.32Å; R750-T752 PolarHBondContact NE-O 2.91Å; R750-T752 PolarHBondContact NH2-O 2.93Å |
| 753 | G | 71.4 | Confident | 84.9 | Confident | 9 Ų | 9 | 76.6 Ų | 76.6 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 107.9 | -173.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P674 | P674-G753 VanDerWaalsContact O-CA 3.29Å; P674-G753 WeakPolarHBondContact O-CA 3.44Å |
| 754 | T | 81.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | trans | -62.6 | 146.6 | -170.4 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | I702 R750 | I702-T754 HydrophobicContact CD1-CG2 3.77Å; R750-T754 PolarHBondContact NH1-O 2.88Å | ||
| 755 | P | 85.9 | Confident | 84.6 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | trans | -53.9 | 150.3 | 168.1 | -24.9 | 34.9 | 0 | 0 | 0 | 112.2 | I702 V725 Y748 | I702-P755 VanDerWaalsContact O-CD 3.25Å; I702-P755 WeakPolarHBondContact O-CD 3.27Å; I702-P755 WeakPolarHBondContact O-CG 3.38Å; V725-P755 HydrophobicContact CG2-CB 3.94Å; V725-P755 HydrophobicContact CG2-CG 3.96Å; Y748-P755 CarbonylContact O-C 3.52Å; Y748-P755 VanDerWaalsContact O-CA 3.31Å; Y748-P755 WeakPolarHBondContact O-CA 3.37Å | ||
| 756 | K | 88.2 | Confident | 83.8 | Confident | 143 Ų | 143 | 75.8 Ų | 75.8 | 62% | 0.622 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143.7 | -174.1 | -164.9 | -165.9 | 166.8 | -165.1 | 0 | 111.7 | C705 Y748 | C705-K756 VanDerWaalsContact SG-C 3.54Å; Y748-K756 PolarHBondContact N-O 3.1Å; Y748-K756 PolarHBondContact O-N 2.87Å |
| 757 | W | 90.3 | Very high | 82.7 | Confident | 30 Ų | 30 | 81 Ų | 81 | 11% | 0.114 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.9 | 165.7 | -62.5 | 107.7 | 0 | 0 | 0 | 111.7 | C705 A706 P708 F723 V729 L745 T746 C747 D759 | C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.61Å; A706-W757 PolarHBondContact O-NE1 3.33Å; P708-W757 HydrophobicContact CG-CD2 4.41Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CB-CH2 3.97Å; F723-W757 HydrophobicContact CB-CZ2 3.78Å; F723-W757 AromaticContact CD1-CH2 3.77Å; F723-W757 HydrophobicContact CD1-CH2 3.77Å; F723-W757 AromaticContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CH2 4.12Å; F723-W757 AromaticContact CG-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CZ2 3.84Å; V729-W757 HydrophobicContact CG2-CH2 3.73Å; V729-W757 HydrophobicContact CG2-CZ2 4.39Å; V729-W757 HydrophobicContact CG2-CZ3 4.05Å; L745-W757 HydrophobicContact CB-CD2 4.36Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.37Å; T746-W757 CarbonylContact O-C 3.59Å; T746-W757 WeakPolarHBondContact O-CA 3.37Å; C747-W757 HydrophobicContact CB-CE3 4.03Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.43Å; C747-W757 HydrophobicContact CB-CZ3 3.7Å; W757-D759 PolarHBondContact O-N 2.8Å |
| 758 | S | 89.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 85 Ų | 85 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -40.1 | -47.5 | 168.5 | 44 | 0 | 0 | 0 | 0 | 114 | L745 T746 | L745-S758 WeakPolarHBondContact CA-OG 3.18Å; T746-S758 PolarHBondContact N-OG 2.86Å; T746-S758 PolarHBondContact O-N 3.06Å; T746-S758 PolarHBondContact O-OG 2.79Å; T746-S758 WeakPolarHBondContact OG1-CB 3.33Å; T746-S758 PolarHBondContact OG1-OG 2.98Å |
| 759 | D | 88.3 | Confident | 81.1 | Confident | 99 Ų | 99 | 83.6 Ų | 83.6 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -142.1 | 176.9 | -168.3 | -128.2 | -46 | 0 | 0 | 0 | 112.7 | A742 L745 W757 | A742-D759 HydrophobicContact CB-CB 3.88Å; L745-D759 HydrophobicContact CD2-CB 3.52Å; W757-D759 PolarHBondContact O-N 2.8Å |
| 760 | R | 88.4 | Confident | 80.9 | Confident | 217 Ų | 217 | 82.3 Ų | 82.3 | 82% | 0.819 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 152.4 | 173.1 | -61.2 | -174.3 | -173.5 | -168.2 | 2.3 | 111.4 | ||
| 761 | V | 89.4 | Confident | 81.1 | Confident | 62 Ų | 62 | 77.2 Ų | 77.2 | 38% | 0.376 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 126.8 | 177.2 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | P708 I711 | P708-V761 HydrophobicContact CB-CG2 4.29Å; P708-V761 WeakPolarHBondContact O-CG2 3.37Å; I711-V761 HydrophobicContact CG2-CG1 3.55Å |
| 762 | P | 89.9 | Confident | 81.9 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 170.9 | -177.8 | 32 | -37.9 | 0 | 0 | 0 | 112.5 | I711 Y731 L739 E740 A742 | I711-P762 VanDerWaalsContact CG2-O 3.27Å; I711-P762 WeakPolarHBondContact CG2-O 3.29Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.7Å; Y731-P762 HydrophobicContact CE2-CG 4.41Å; Y731-P762 HydrophobicContact CG-CG 3.72Å; L739-P762 HydrophobicContact CD1-CB 4.3Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.74Å; L739-P762 HydrophobicContact CD2-CG 4.42Å; L739-P762 HydrophobicContact CG-CB 4Å; E740-P762 CarbonylContact O-C 3.49Å; E740-P762 WeakPolarHBondContact O-CA 3.43Å; E740-P762 WeakPolarHBondContact O-CB 3.43Å; A742-P762 WeakPolarHBondContact O-CG 3.31Å |
| 763 | K | 89.1 | Confident | 82.9 | Confident | 146 Ų | 146 | 72 Ų | 72 | 64% | 0.635 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153.3 | 176.8 | -64.1 | -178.5 | -178.7 | 178.9 | 0 | 111.4 | L739 E740 | L739-K763 CarbonylContact C-O 3.58Å; L739-K763 WeakPolarHBondContact CA-O 3.44Å; E740-K763 PolarHBondContact N-O 3.41Å; E740-K763 PolarHBondContact O-N 2.9Å |
| 764 | C | 88.9 | Confident | 83.5 | Confident | 16 Ų | 16 | 73.5 Ų | 73.5 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 106.8 | 172.4 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | A712 N713 C733 Y737 S738 | A712-C764 WeakPolarHBondContact O-CB 3.4Å; N713-C764 HydrophobicContact CB-CB 4.16Å; C733-C764 WeakPolarHBondContact CA-SG 3.32Å; C733-C764 HydrophobicContact CB-CB 3.82Å; C733-C764 WeakPolarHBondContact CB-SG 3.32Å; C733-C764 WeakPolarHBondContact SG-CA 3.28Å; C733-C764 WeakPolarHBondContact SG-CB 3.05Å; C733-C764 CovalentContact SG-SG 2.04Å; C733-C764 PolarHBondContact SG-SG 3.06Å; Y737-C764 HydrophobicContact CD1-CB 4.29Å; Y737-C764 HydrophobicContact CG-CB 4.47Å; S738-C764 WeakPolarHBondContact O-CA 3.41Å |
| 765 | A | 82.6 | Confident | 83.4 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 144.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y737 S738 E740 | Y737-A765 CarbonylContact C-O 3.34Å; Y737-A765 WeakPolarHBondContact CA-O 3.44Å; S738-A765 PolarHBondContact N-O 2.98Å; S738-A765 PolarHBondContact O-N 2.98Å; E740-A765 HydrophobicContact CG-CB 4.1Å; E740-A765 WeakPolarHBondContact OE1-CB 3.27Å |
| 766 | L | 75.6 | Confident | 83.3 | Confident | 74 Ų | 74 | 75 Ų | 75 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133.5 | 174.6 | -82.3 | 170 | 0 | 0 | 0 | 110.6 | Y737 Y768 | Y737-L766 HydrophobicContact CD1-CD2 3.96Å; Y737-L766 HydrophobicContact CD1-CG 4.01Å; Y737-L766 HydrophobicContact CD2-CD2 4.24Å; Y737-L766 HydrophobicContact CE1-CD2 3.51Å; Y737-L766 HydrophobicContact CE1-CG 3.51Å; Y737-L766 HydrophobicContact CE2-CD2 3.81Å; Y737-L766 HydrophobicContact CG-CD2 4.29Å; Y737-L766 VanDerWaalsContact CZ-CD2 3.42Å; L766-Y768 HydrophobicContact CB-CE2 4.46Å |
| 767 | K | 67.3 | Low | 83 | Confident | 144 Ų | 144 | 69 Ų | 69 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | trans | -107.5 | 105.8 | 174.8 | -169.4 | 173.5 | -177.7 | 178.2 | 0 | 110.7 | G736 | G736-K767 PolarHBondContact O-N 2.83Š| ||
| 768 | Y | 70.3 | Confident | 82.5 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 146.9 | 174 | -56.8 | -70 | 0 | 0 | 0 | 111.5 | L766 A791 P815 | L766-Y768 HydrophobicContact CB-CE2 4.46Å; Y768-A791 HydrophobicContact CD2-CB 4.11Å; Y768-A791 HydrophobicContact CG-CB 4.14Å; Y768-P815 HydrophobicContact CD1-CB 3.68Å; Y768-P815 HydrophobicContact CD2-CB 4Å; Y768-P815 HydrophobicContact CE1-CB 3.55Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 3.91Å |
| 769 | E | 74.4 | Confident | 82 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 137.8 | 167.9 | -65.1 | -177.9 | 141.1 | 0 | 0 | 109.1 | S819 | E769-S819 WeakPolarHBondContact O-CB 3.43Å; E769-S819 PolarHBondContact O-OG 3.49Å |
| 770 | P | 79.3 | Confident | 81.8 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 31% | 0.305 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 145.5 | -175.7 | 31.8 | -36 | 0 | 0 | 0 | 112.1 | L772 H788 Y789 | P770-L772 PolarHBondContact O-N 2.96Å; P770-H788 HydrophobicContact CB-CB 4.05Å; P770-H788 HydrophobicContact CG-CB 4.03Å; P770-Y789 CarbonylContact C-O 3.57Å; P770-Y789 WeakPolarHBondContact CA-O 3.46Å; P770-Y789 WeakPolarHBondContact CB-O 3.2Å |
| 771 | C | 82.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.3 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | H788 Y789 C813 S819 W821 | C771-H788 CarbonylContact O-C 3.42Å; C771-H788 WeakPolarHBondContact O-CA 3.21Å; C771-Y789 PolarHBondContact N-O 2.87Å; C771-Y789 PolarHBondContact O-N 2.61Å; C771-C813 HydrophobicContact CB-CB 3.79Å; C771-C813 WeakPolarHBondContact CB-SG 3.45Å; C771-C813 PolarHBondContact N-SG 3.45Å; C771-C813 WeakPolarHBondContact SG-CA 3.02Å; C771-C813 WeakPolarHBondContact SG-CB 3.39Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 3.29Å; C771-S819 VanDerWaalsContact SG-C 3.59Å; C771-S819 VanDerWaalsContact SG-CB 3.58Å; C771-W821 HydrophobicContact CB-CD2 4.28Å; C771-W821 HydrophobicContact CB-CZ2 3.74Å |
| 772 | L | 84.1 | Confident | 81.6 | Confident | 120 Ų | 120 | 65 Ų | 65 | 63% | 0.628 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 151.2 | 168.8 | -76.1 | 162.9 | 0 | 0 | 0 | 111 | P770 W821 | P770-L772 PolarHBondContact O-N 2.96Å; L772-W821 PolarHBondContact O-NE1 3.48Å |
| 773 | N | 84.1 | Confident | 81.3 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 125.1 | 174.2 | -165.4 | -65.6 | 0 | 0 | 0 | 110.9 | G775 Q782 K786 H787 Y789 | N773-G775 VanDerWaalsContact C-N 3.26Å; N773-G775 PolarHBondContact O-N 2.64Å; N773-G775 PolarHBondContact OD1-N 3.48Å; N773-Q782 PolarHBondContact ND2-NE2 2.8Å; N773-K786 WeakPolarHBondContact CB-O 3.22Å; N773-K786 PolarHBondContact ND2-O 3.04Å; N773-H787 PolarHBondContact N-O 3.17Å; N773-Y789 HydrophobicContact CB-CE2 4.16Å; N773-Y789 PolarHBondContact ND2-OH 3.34Å; N773-Y789 VanDerWaalsContact ND2-OH 3.1Å |
| 774 | P | 83.4 | Confident | 81 | Confident | 41 Ų | 41 | 66 Ų | 66 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -81.2 | -1.7 | -176.2 | 30.5 | -29.9 | 0 | 0 | 0 | 114.1 | L795 F797 I811 W821 | P774-L795 HydrophobicContact CG-CD2 4.09Å; P774-F797 HydrophobicContact CG-CZ 4.36Å; P774-I811 HydrophobicContact CG-CD1 3.69Å; P774-W821 HydrophobicContact CG-CD2 4.36Å; P774-W821 HydrophobicContact CG-CG 4.46Å; P774-W821 HydrophobicContact CG-CZ2 4.35Å | ||
| 775 | G | 80.4 | Confident | 80.7 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | trans | 91.3 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N773 F797 | N773-G775 VanDerWaalsContact C-N 3.26Å; N773-G775 PolarHBondContact O-N 2.64Å; N773-G775 PolarHBondContact OD1-N 3.48Å; G775-F797 WeakPolarHBondContact O-CE1 3.02Å | ||
| 776 | V | 83.3 | Confident | 80.6 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 142.6 | 173.3 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | Q782 | V776-Q782 HydrophobicContact CG1-CB 4Å; V776-Q782 HydrophobicContact CG1-CG 3.7Å |
| 777 | P | 82.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 76.7 Ų | 76.7 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 153.2 | 177.8 | 31.2 | -35.1 | 0 | 0 | 0 | 112.4 | N779 G780 F797 P826 | P777-N779 PolarHBondContact O-N 3.25Å; P777-G780 PolarHBondContact O-N 3.45Å; P777-F797 HydrophobicContact CG-CD1 4.41Å; P777-P826 WeakPolarHBondContact CB-O 3.35Å; P777-P826 WeakPolarHBondContact CG-O 3.25Å |
| 778 | E | 78.7 | Confident | 81.6 | Confident | 166 Ų | 166 | 74.9 Ų | 74.9 | 78% | 0.776 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 132.4 | 174.1 | -166.9 | 169.6 | -155.5 | 0 | 0 | 110.1 | G780 C828 | E778-G780 VanDerWaalsContact C-N 3.3Å; E778-G780 PolarHBondContact O-N 3.31Å; E778-C828 WeakPolarHBondContact O-CB 3.34Å |
| 779 | N | 79.6 | Confident | 82.3 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 28.8 | -170 | -52.7 | -57.8 | 0 | 0 | 0 | 115.6 | P777 Y800 F803 C828 | P777-N779 PolarHBondContact O-N 3.25Å; N779-Y800 VanDerWaalsContact O-CD2 3.22Å; N779-Y800 WeakPolarHBondContact O-CD2 3.48Å; N779-Y800 PolarHBondContact O-N 3.45Å; N779-F803 HydrophobicContact CB-CD1 4.07Å; N779-F803 HydrophobicContact CB-CD2 4.28Å; N779-F803 HydrophobicContact CB-CE1 3.88Å; N779-F803 HydrophobicContact CB-CE2 4.11Å; N779-F803 HydrophobicContact CB-CG 4.28Å; N779-F803 HydrophobicContact CB-CZ 3.91Å; N779-C828 HydrophobicContact CB-CB 4.34Å |
| 780 | G | 83.1 | Confident | 82.6 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -173.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P777 E778 F798 Y800 | P777-G780 PolarHBondContact O-N 3.45Å; E778-G780 VanDerWaalsContact C-N 3.3Å; E778-G780 PolarHBondContact O-N 3.31Å; G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.48Å; G780-Y800 WeakPolarHBondContact O-CE2 3.5Å; G780-Y800 PolarHBondContact O-OH 3.12Å |
| 781 | Y | 85.8 | Confident | 82.5 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 168.9 | 176.3 | 67.2 | -83.7 | 0 | 0 | 0 | 111.7 | F797 F798 Y800 | Y781-F797 WeakPolarHBondContact O-CA 3.32Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.49Å; Y781-F798 HydrophobicContact CD2-CD2 4.19Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.03Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.36Å; Y781-F798 HydrophobicContact CE2-CG 4.15Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.92Å; Y781-F798 PolarHBondContact N-O 3.18Å; Y781-F798 PolarHBondContact O-N 2.78Å; Y781-Y800 HydrophobicContact CD1-CD1 4.16Å; Y781-Y800 AromaticContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CE1-CD1 4.4Å; Y781-Y800 HydrophobicContact CE1-CE1 4.2Å |
| 782 | Q | 87.8 | Confident | 82.4 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 12% | 0.121 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 155.5 | 179.8 | 71.5 | -171.1 | -1.8 | 0 | 0 | 112 | N773 V776 L784 L795 R796 F797 | N773-Q782 PolarHBondContact ND2-NE2 2.8Å; V776-Q782 HydrophobicContact CG1-CB 4Å; V776-Q782 HydrophobicContact CG1-CG 3.7Å; Q782-L784 PolarHBondContact O-N 2.99Å; Q782-L795 HydrophobicContact CB-CD1 4.08Å; Q782-L795 HydrophobicContact CG-CD1 4.33Å; Q782-R796 CarbonylContact C-O 3.49Å; Q782-R796 VanDerWaalsContact CA-O 3.32Å; Q782-R796 WeakPolarHBondContact CA-O 3.4Å; Q782-F797 HydrophobicContact CB-CD1 3.75Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å |
| 783 | T | 84.4 | Confident | 82.4 | Confident | 74 Ų | 74 | 70 Ų | 70 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -64 | -36.2 | -177.6 | 44.2 | 0 | 0 | 0 | 0 | 115 | R796 F798 | T783-R796 HydrophobicContact CG2-CB 3.71Å; T783-R796 HydrophobicContact CG2-CG 3.95Å; T783-R796 PolarHBondContact N-O 2.89Å; T783-R796 PolarHBondContact OG1-N 2.93Å; T783-R796 PolarHBondContact OG1-O 3.05Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.37Å |
| 784 | L | 81.5 | Confident | 82.6 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 52% | 0.524 | 39% | 0.385 | S | S | . | . | trans | -150.9 | 135.6 | -172.6 | -158.9 | 79.3 | 0 | 0 | 0 | 110.1 | Q782 K786 Y789 L795 | Q782-L784 PolarHBondContact O-N 2.99Å; L784-K786 HydrophobicContact CD2-CG 4.32Å; L784-Y789 PolarHBondContact O-OH 3.12Å; L784-L795 WeakPolarHBondContact O-CD1 3.41Å | ||
| 785 | Y | 83 | Confident | 82.7 | Confident | 151 Ų | 151 | 69.9 Ų | 69.9 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | trans | -98.7 | 115.9 | 173.1 | -173.2 | -82.5 | 0 | 0 | 0 | 110.7 | H787 | Y785-H787 AromaticContact CE1-CE1 3.82Å; Y785-H787 AromaticContact CE1-NE2 3.94Å; Y785-H787 AromaticContact CZ-CE1 3.91Å; Y785-H787 PolarHBondContact OH-CE1 2.89Å; Y785-H787 PolarHBondContact OH-ND1 2.85Å | ||
| 786 | K | 81.5 | Confident | 83.1 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | trans | -124.2 | 152.3 | 158.3 | -51.9 | -174 | -172.4 | -176.5 | 0 | 108.6 | N773 L784 H788 Y789 E793 | N773-K786 WeakPolarHBondContact CB-O 3.22Å; N773-K786 PolarHBondContact ND2-O 3.04Å; L784-K786 HydrophobicContact CD2-CG 4.32Å; K786-H788 VanDerWaalsContact C-N 3.34Å; K786-H788 WeakPolarHBondContact CB-O 3.25Å; K786-H788 WeakPolarHBondContact CD-O 3.46Å; K786-Y789 HydrophobicContact CB-CD1 4.35Å; K786-Y789 HydrophobicContact CB-CD2 4.3Å; K786-Y789 HydrophobicContact CB-CE1 3.97Å; K786-Y789 HydrophobicContact CB-CE2 3.9Å; K786-Y789 HydrophobicContact CD-CD1 3.89Å; K786-Y789 HydrophobicContact CD-CE1 3.98Å; K786-Y789 HydrophobicContact CD-CG 4.44Å; K786-Y789 HydrophobicContact CG-CD1 4.27Å; K786-Y789 HydrophobicContact CG-CE1 3.86Å; K786-Y789 PolarHBondContact N-OH 2.87Å; K786-Y789 VanDerWaalsContact O-CE2 3.27Å; K786-Y789 WeakPolarHBondContact O-CE2 3.28Å; K786-E793 IonicContact NZ-OE1 2.79Å; K786-E793 PolarHBondContact NZ-OE1 2.95Å; K786-E793 IonicContact NZ-OE2 3.17Å; K786-E793 PolarHBondContact NZ-OE2 2.97Å | ||
| 787 | H | 79.2 | Confident | 83.4 | Confident | 123 Ų | 123 | 70 Ų | 70 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70.6 | -32.7 | 167.7 | -73.1 | -68 | 0 | 0 | 0 | 112.4 | N773 Y785 | N773-H787 PolarHBondContact N-O 3.17Å; Y785-H787 AromaticContact CE1-CE1 3.82Å; Y785-H787 AromaticContact CE1-NE2 3.94Å; Y785-H787 AromaticContact CZ-CE1 3.91Å; Y785-H787 PolarHBondContact OH-CE1 2.89Å; Y785-H787 PolarHBondContact OH-ND1 2.85Å |
| 788 | H | 84.4 | Confident | 83.6 | Confident | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.7 | -176.2 | -55.8 | 101.1 | 0 | 0 | 0 | 109.7 | P770 C771 K786 | P770-H788 HydrophobicContact CB-CB 4.05Å; P770-H788 HydrophobicContact CG-CB 4.03Å; C771-H788 CarbonylContact O-C 3.42Å; C771-H788 WeakPolarHBondContact O-CA 3.21Å; K786-H788 VanDerWaalsContact C-N 3.34Å; K786-H788 WeakPolarHBondContact CB-O 3.25Å; K786-H788 WeakPolarHBondContact CD-O 3.46Å |
| 789 | Y | 84.1 | Confident | 84 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.6 | 178.1 | -63.5 | -99.9 | 0 | 0 | 0 | 109.8 | P770 C771 N773 L784 K786 E793 L795 W821 | P770-Y789 CarbonylContact C-O 3.57Å; P770-Y789 WeakPolarHBondContact CA-O 3.46Å; P770-Y789 WeakPolarHBondContact CB-O 3.2Å; C771-Y789 PolarHBondContact N-O 2.87Å; C771-Y789 PolarHBondContact O-N 2.61Å; N773-Y789 HydrophobicContact CB-CE2 4.16Å; N773-Y789 PolarHBondContact ND2-OH 3.34Å; N773-Y789 VanDerWaalsContact ND2-OH 3.1Å; L784-Y789 PolarHBondContact O-OH 3.12Å; K786-Y789 HydrophobicContact CB-CD1 4.35Å; K786-Y789 HydrophobicContact CB-CD2 4.3Å; K786-Y789 HydrophobicContact CB-CE1 3.97Å; K786-Y789 HydrophobicContact CB-CE2 3.9Å; K786-Y789 HydrophobicContact CD-CD1 3.89Å; K786-Y789 HydrophobicContact CD-CE1 3.98Å; K786-Y789 HydrophobicContact CD-CG 4.44Å; K786-Y789 HydrophobicContact CG-CD1 4.27Å; K786-Y789 HydrophobicContact CG-CE1 3.86Å; K786-Y789 PolarHBondContact N-OH 2.87Å; K786-Y789 VanDerWaalsContact O-CE2 3.27Å; K786-Y789 WeakPolarHBondContact O-CE2 3.28Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.38Å; Y789-L795 HydrophobicContact CE1-CD1 4.19Å; Y789-L795 HydrophobicContact CE2-CD2 4.33Å; Y789-W821 HydrophobicContact CD1-CH2 4.13Å; Y789-W821 AromaticContact CD2-CH2 3.76Å; Y789-W821 HydrophobicContact CD2-CH2 3.76Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.39Å; Y789-W821 HydrophobicContact CE2-CZ2 4.2Å; Y789-W821 AromaticContact CG-CH2 3.62Å; Y789-W821 HydrophobicContact CG-CH2 3.62Å; Y789-W821 AromaticContact CG-CZ2 3.88Å; Y789-W821 HydrophobicContact CG-CZ2 3.88Å |
| 790 | Q | 81.9 | Confident | 84.2 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | trans | -74.7 | 155.5 | 179.3 | -63.9 | -61.3 | -20.5 | 0 | 0 | 111.1 | G792 E793 | Q790-G792 PolarHBondContact O-N 3.48Å; Q790-E793 HydrophobicContact CB-CG 4.16Å; Q790-E793 PolarHBondContact N-OE2 3.32Å; Q790-E793 VanDerWaalsContact O-CB 3.32Å; Q790-E793 WeakPolarHBondContact O-CB 3.38Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.18Å | ||
| 791 | A | 76.8 | Confident | 84 | Confident | 30 Ų | 30 | 77.9 Ų | 77.9 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 129.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y768 C813 P815 | Y768-A791 HydrophobicContact CD2-CB 4.11Å; Y768-A791 HydrophobicContact CG-CB 4.14Å; A791-C813 WeakPolarHBondContact CA-O 3.43Å; A791-P815 HydrophobicContact CB-CB 3.89Å; A791-P815 HydrophobicContact CB-CG 3.94Å |
| 792 | G | 80.5 | Confident | 83.4 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -12.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q790 C813 | Q790-G792 PolarHBondContact O-N 3.48Å; G792-C813 PolarHBondContact N-O 2.95Å |
| 793 | E | 85 | Confident | 83 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | trans | -74.8 | 151 | 174.3 | -63.5 | -162.6 | 123.6 | 0 | 0 | 112.2 | K786 Y789 Q790 T812 C813 | K786-E793 IonicContact NZ-OE1 2.79Å; K786-E793 PolarHBondContact NZ-OE1 2.95Å; K786-E793 IonicContact NZ-OE2 3.17Å; K786-E793 PolarHBondContact NZ-OE2 2.97Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.38Å; Q790-E793 HydrophobicContact CB-CG 4.16Å; Q790-E793 PolarHBondContact N-OE2 3.32Å; Q790-E793 VanDerWaalsContact O-CB 3.32Å; Q790-E793 WeakPolarHBondContact O-CB 3.38Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.18Å; E793-T812 WeakPolarHBondContact O-CA 3.17Å; E793-C813 PolarHBondContact O-N 3.15Å | ||
| 794 | S | 87 | Confident | 82.7 | Confident | 74 Ų | 74 | 80 Ų | 80 | 52% | 0.517 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.4 | -179 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | I811 | S794-I811 CarbonylContact C-O 3.57Å; S794-I811 WeakPolarHBondContact CA-O 3.03Å |
| 795 | L | 86.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130 | -177.7 | -177.9 | 59.3 | 0 | 0 | 0 | 109 | P774 Q782 L784 Y789 F797 T810 I811 W821 | P774-L795 HydrophobicContact CG-CD2 4.09Å; Q782-L795 HydrophobicContact CB-CD1 4.08Å; Q782-L795 HydrophobicContact CG-CD1 4.33Å; L784-L795 WeakPolarHBondContact O-CD1 3.41Å; Y789-L795 HydrophobicContact CE1-CD1 4.19Å; Y789-L795 HydrophobicContact CE2-CD2 4.33Å; L795-F797 HydrophobicContact CD2-CE1 4.41Å; L795-F797 HydrophobicContact CD2-CE2 4.42Å; L795-F797 HydrophobicContact CD2-CZ 3.8Å; L795-F797 HydrophobicContact CG-CE2 4.29Å; L795-F797 HydrophobicContact CG-CZ 4.02Å; L795-T810 CarbonylContact O-C 3.56Å; L795-T810 VanDerWaalsContact O-CA 3.32Å; L795-T810 WeakPolarHBondContact O-CA 3.38Å; L795-I811 HydrophobicContact CB-CG1 4.16Å; L795-I811 PolarHBondContact N-O 2.53Å; L795-I811 PolarHBondContact O-N 2.77Å; L795-W821 HydrophobicContact CB-CH2 4.07Å; L795-W821 HydrophobicContact CB-CZ3 4.07Å; L795-W821 HydrophobicContact CD2-CH2 4.38Å |
| 796 | R | 88.7 | Confident | 82.7 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.2 | -176.2 | 168 | 169.2 | -67.1 | -171 | -5.1 | 110.9 | Q782 T783 F798 V809 T810 | Q782-R796 CarbonylContact C-O 3.49Å; Q782-R796 VanDerWaalsContact CA-O 3.32Å; Q782-R796 WeakPolarHBondContact CA-O 3.4Å; T783-R796 HydrophobicContact CG2-CB 3.71Å; T783-R796 HydrophobicContact CG2-CG 3.95Å; T783-R796 PolarHBondContact N-O 2.89Å; T783-R796 PolarHBondContact OG1-N 2.93Å; T783-R796 PolarHBondContact OG1-O 3.05Å; R796-F798 HydrophobicContact CG-CE1 4.34Å; R796-F798 HydrophobicContact CG-CE2 4Å; R796-F798 HydrophobicContact CG-CZ 3.85Å; R796-V809 WeakPolarHBondContact CA-O 3.22Å; R796-V809 HydrophobicContact CG-CG1 4.3Å; R796-V809 WeakPolarHBondContact CG-O 3.29Å; R796-T810 HydrophobicContact CB-CG2 4.28Å; R796-T810 PolarHBondContact NE-OG1 3.14Å; R796-T810 PolarHBondContact NH2-OG1 2.92Å; R796-T810 VanDerWaalsContact NH2-OG1 3.12Å |
| 797 | F | 88.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 156 | -179.9 | -60.4 | -81.4 | 0 | 0 | 0 | 111.9 | P774 G775 P777 Y781 Q782 L795 L805 V809 I811 P825 P826 | P774-F797 HydrophobicContact CG-CZ 4.36Å; G775-F797 WeakPolarHBondContact O-CE1 3.02Å; P777-F797 HydrophobicContact CG-CD1 4.41Å; Y781-F797 WeakPolarHBondContact O-CA 3.32Å; Q782-F797 HydrophobicContact CB-CD1 3.75Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å; L795-F797 HydrophobicContact CD2-CE1 4.41Å; L795-F797 HydrophobicContact CD2-CE2 4.42Å; L795-F797 HydrophobicContact CD2-CZ 3.8Å; L795-F797 HydrophobicContact CG-CE2 4.29Å; L795-F797 HydrophobicContact CG-CZ 4.02Å; F797-L805 HydrophobicContact CB-CD1 4.46Å; F797-V809 PolarHBondContact N-O 2.82Å; F797-I811 HydrophobicContact CE2-CD1 3.68Å; F797-I811 HydrophobicContact CE2-CG1 3.93Å; F797-I811 HydrophobicContact CZ-CD1 4.15Å; F797-P825 HydrophobicContact CE2-CB 4.29Å; F797-P825 HydrophobicContact CZ-CB 4.08Å; F797-P826 HydrophobicContact CB-CG 3.72Å; F797-P826 HydrophobicContact CD2-CG 3.88Å; F797-P826 HydrophobicContact CG-CG 3.99Å |
| 798 | F | 87.7 | Confident | 83 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 34% | 0.342 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.9 | 174.4 | -59.6 | -76 | 0 | 0 | 0 | 109.6 | G780 Y781 T783 R796 | G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.48Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.49Å; Y781-F798 HydrophobicContact CD2-CD2 4.19Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.03Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.36Å; Y781-F798 HydrophobicContact CE2-CG 4.15Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.92Å; Y781-F798 PolarHBondContact N-O 3.18Å; Y781-F798 PolarHBondContact O-N 2.78Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.37Å; R796-F798 HydrophobicContact CG-CE1 4.34Å; R796-F798 HydrophobicContact CG-CE2 4Å; R796-F798 HydrophobicContact CG-CZ 3.85Å |
| 799 | C | 87.3 | Confident | 83 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 159.4 | 171.7 | -61.6 | 0 | 0 | 0 | 0 | 111 | F803 L805 C828 | C799-F803 HydrophobicContact CB-CB 4.02Å; C799-L805 VanDerWaalsContact SG-CB 3.6Å; C799-C828 WeakPolarHBondContact CA-SG 3.46Å; C799-C828 HydrophobicContact CB-CB 3.76Å; C799-C828 WeakPolarHBondContact CB-SG 3.23Å; C799-C828 WeakPolarHBondContact SG-CA 3.22Å; C799-C828 WeakPolarHBondContact SG-CB 3.38Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.88Å |
| 800 | Y | 83.6 | Confident | 83.2 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 163.9 | 167.8 | -61.4 | -62.4 | 0 | 0 | 0 | 111.5 | N779 G780 Y781 F803 | N779-Y800 VanDerWaalsContact O-CD2 3.22Å; N779-Y800 WeakPolarHBondContact O-CD2 3.48Å; N779-Y800 PolarHBondContact O-N 3.45Å; G780-Y800 WeakPolarHBondContact O-CE2 3.5Å; G780-Y800 PolarHBondContact O-OH 3.12Å; Y781-Y800 HydrophobicContact CD1-CD1 4.16Å; Y781-Y800 AromaticContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CE1-CD1 4.4Å; Y781-Y800 HydrophobicContact CE1-CE1 4.2Å; Y800-F803 PolarHBondContact O-N 3.17Å |
| 801 | E | 79.2 | Confident | 83.5 | Confident | 198 Ų | 198 | 67.6 Ų | 67.6 | 93% | 0.925 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.6 | -176.1 | -168.1 | 171.2 | -164.1 | 0 | 0 | 112.1 | ||
| 802 | G | 72.3 | Confident | 84.1 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -1.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 803 | F | 79.9 | Confident | 84.4 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 28% | 0.281 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.6 | 176.4 | -61.2 | -103 | 0 | 0 | 0 | 112 | N779 C799 Y800 C828 K829 V830 | N779-F803 HydrophobicContact CB-CD1 4.07Å; N779-F803 HydrophobicContact CB-CD2 4.28Å; N779-F803 HydrophobicContact CB-CE1 3.88Å; N779-F803 HydrophobicContact CB-CE2 4.11Å; N779-F803 HydrophobicContact CB-CG 4.28Å; N779-F803 HydrophobicContact CB-CZ 3.91Å; C799-F803 HydrophobicContact CB-CB 4.02Å; Y800-F803 PolarHBondContact O-N 3.17Å; F803-C828 HydrophobicContact CB-CB 3.99Å; F803-C828 HydrophobicContact CD1-CB 4.39Å; F803-C828 HydrophobicContact CG-CB 4.45Å; F803-K829 CarbonylContact C-O 3.58Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.03Å; F803-V830 HydrophobicContact CD1-CG2 3.94Å; F803-V830 HydrophobicContact CE1-CG2 3.6Å; F803-V830 HydrophobicContact CZ-CG2 4.15Å |
| 804 | E | 78.8 | Confident | 84.3 | Confident | 126 Ų | 126 | 65.4 Ų | 65.4 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 143.9 | 170.2 | -75.4 | -178.4 | 171.8 | 0 | 0 | 111.5 | C828 K829 A831 | E804-C828 WeakPolarHBondContact O-CA 3.38Å; E804-K829 PolarHBondContact N-O 2.04Å; E804-K829 PolarHBondContact O-N 3.38Å; E804-A831 HydrophobicContact CB-CB 4.35Å; E804-A831 VanDerWaalsContact CD-CB 3.41Å; E804-A831 HydrophobicContact CG-CB 3.7Å |
| 805 | L | 83.4 | Confident | 83.9 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.7 | -179.8 | -171.4 | 159 | 0 | 0 | 0 | 109.9 | F797 C799 V809 P826 | F797-L805 HydrophobicContact CB-CD1 4.46Å; C799-L805 VanDerWaalsContact SG-CB 3.6Å; L805-V809 HydrophobicContact CD1-CG2 4.22Å; L805-V809 HydrophobicContact CD2-CG2 3.76Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.09Å; L805-P826 HydrophobicContact CD2-CB 3.42Å; L805-P826 VanDerWaalsContact CD2-CB 3.42Å; L805-P826 HydrophobicContact CD2-CG 3.86Å; L805-P826 HydrophobicContact CG-CB 3.85Å; L805-P826 HydrophobicContact CG-CG 4.01Å |
| 806 | I | 79.8 | Confident | 83 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 46% | 0.462 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 102.8 | 179.1 | -57.5 | 176.6 | 0 | 0 | 0 | 108.7 | L827 K829 | I806-L827 PolarHBondContact N-O 2.04Å; I806-L827 PolarHBondContact O-N 3.33Å; I806-K829 HydrophobicContact CD1-CB 3.95Å; I806-K829 HydrophobicContact CD1-CD 3.82Å; I806-K829 HydrophobicContact CD1-CG 3.99Å |
| 807 | G | 81.6 | Confident | 81.9 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 140.3 | -164.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 808 | E | 86.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 70.1 Ų | 70.1 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | trans | -88 | 121.8 | -178.6 | -162.7 | 161.6 | -147.5 | 0 | 0 | 111.2 | T810 S823 | E808-T810 PolarHBondContact O-N 2.9Å; E808-S823 VanDerWaalsContact OE2-CB 3.29Å; E808-S823 WeakPolarHBondContact OE2-CB 3.03Å; E808-S823 PolarHBondContact OE2-OG 2.97Å | ||
| 809 | V | 84.6 | Confident | 80.7 | Confident | 67 Ų | 67 | 67 Ų | 67 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -64.5 | -22.7 | -175 | -180 | 0 | 0 | 0 | 0 | 112.3 | R796 F797 L805 | R796-V809 WeakPolarHBondContact CA-O 3.22Å; R796-V809 HydrophobicContact CG-CG1 4.3Å; R796-V809 WeakPolarHBondContact CG-O 3.29Å; F797-V809 PolarHBondContact N-O 2.82Å; L805-V809 HydrophobicContact CD1-CG2 4.22Å; L805-V809 HydrophobicContact CD2-CG2 3.76Å |
| 810 | T | 88.3 | Confident | 80.5 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 116.1 | -178.1 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | L795 R796 E808 | L795-T810 CarbonylContact O-C 3.56Å; L795-T810 VanDerWaalsContact O-CA 3.32Å; L795-T810 WeakPolarHBondContact O-CA 3.38Å; R796-T810 HydrophobicContact CB-CG2 4.28Å; R796-T810 PolarHBondContact NE-OG1 3.14Å; R796-T810 PolarHBondContact NH2-OG1 2.92Å; R796-T810 VanDerWaalsContact NH2-OG1 3.12Å; E808-T810 PolarHBondContact O-N 2.9Å |
| 811 | I | 88.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 150.9 | 179 | 67.1 | 175.5 | 0 | 0 | 0 | 109.6 | P774 S794 L795 F797 W821 S823 | P774-I811 HydrophobicContact CG-CD1 3.69Å; S794-I811 CarbonylContact C-O 3.57Å; S794-I811 WeakPolarHBondContact CA-O 3.03Å; L795-I811 HydrophobicContact CB-CG1 4.16Å; L795-I811 PolarHBondContact N-O 2.53Å; L795-I811 PolarHBondContact O-N 2.77Å; F797-I811 HydrophobicContact CE2-CD1 3.68Å; F797-I811 HydrophobicContact CE2-CG1 3.93Å; F797-I811 HydrophobicContact CZ-CD1 4.15Å; I811-W821 HydrophobicContact CB-CE3 4.23Å; I811-W821 HydrophobicContact CD1-CB 4.23Å; I811-W821 HydrophobicContact CD1-CD2 3.79Å; I811-W821 HydrophobicContact CD1-CE3 3.69Å; I811-W821 HydrophobicContact CD1-CG 4.03Å; I811-W821 HydrophobicContact CD1-CZ3 4.33Å; I811-W821 HydrophobicContact CG1-CD2 4.22Å; I811-W821 HydrophobicContact CG1-CE3 3.59Å; I811-W821 HydrophobicContact CG1-CZ3 4Å; I811-S823 VanDerWaalsContact CG2-OG 3.23Å; I811-S823 WeakPolarHBondContact CG2-OG 3.49Å |
| 812 | T | 88.6 | Confident | 81.1 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.8 | 178.6 | 77.3 | 0 | 0 | 0 | 0 | 111.7 | E793 V814 W821 T822 | E793-T812 WeakPolarHBondContact O-CA 3.17Å; T812-V814 PolarHBondContact O-N 3.07Å; T812-W821 WeakPolarHBondContact O-CA 3.49Å; T812-T822 PolarHBondContact N-OG1 2.84Å; T812-T822 PolarHBondContact O-N 2.97Å; T812-T822 VanDerWaalsContact OG1-CG2 3.22Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.47Å |
| 813 | C | 87.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 99.1 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | C771 A791 G792 E793 Q820 W821 | C771-C813 HydrophobicContact CB-CB 3.79Å; C771-C813 WeakPolarHBondContact CB-SG 3.45Å; C771-C813 PolarHBondContact N-SG 3.45Å; C771-C813 WeakPolarHBondContact SG-CA 3.02Å; C771-C813 WeakPolarHBondContact SG-CB 3.39Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 3.29Å; A791-C813 WeakPolarHBondContact CA-O 3.43Å; G792-C813 PolarHBondContact N-O 2.95Å; E793-C813 PolarHBondContact O-N 3.15Å; C813-Q820 CarbonylContact C-O 3.38Å; C813-W821 HydrophobicContact CB-CE3 4.17Å; C813-W821 HydrophobicContact CB-CH2 4.16Å; C813-W821 HydrophobicContact CB-CZ3 3.92Å |
| 814 | V | 83.5 | Confident | 81.7 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.8 | 179.6 | -74.8 | 0 | 0 | 0 | 0 | 110.9 | T812 G816 S819 Q820 T822 | T812-V814 PolarHBondContact O-N 3.07Å; V814-G816 PolarHBondContact O-N 3.37Å; V814-S819 VanDerWaalsContact O-CB 3.31Å; V814-S819 WeakPolarHBondContact O-CB 3.02Å; V814-Q820 WeakPolarHBondContact CG2-O 3.39Å; V814-Q820 PolarHBondContact N-O 2.83Å; V814-Q820 PolarHBondContact O-N 3.01Å; V814-T822 HydrophobicContact CG1-CG2 3.71Å |
| 815 | P | 77 | Confident | 81.9 | Confident | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | trans | -60.3 | 129.2 | -177.1 | -14.7 | 23.3 | 0 | 0 | 0 | 112.3 | Y768 A791 | Y768-P815 HydrophobicContact CD1-CB 3.68Å; Y768-P815 HydrophobicContact CD2-CB 4Å; Y768-P815 HydrophobicContact CE1-CB 3.55Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 3.91Å; A791-P815 HydrophobicContact CB-CB 3.89Å; A791-P815 HydrophobicContact CB-CG 3.94Å | ||
| 816 | G | 69.3 | Low | 82 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | trans | -165.5 | -173.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V814 P818 S819 | V814-G816 PolarHBondContact O-N 3.37Å; G816-P818 CarbonylContact C-O 3.54Å; G816-P818 CarbonylContact O-C 3.46Å; G816-S819 PolarHBondContact N-OG 2.03Å; G816-S819 VanDerWaalsContact N-OG 3.14Å; G816-S819 PolarHBondContact O-N 2.83Å; G816-S819 PolarHBondContact O-OG 3.46Å | ||
| 817 | H | 64.2 | Low | 82.2 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 56% | 0.56 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | 89.4 | 175.4 | -65.7 | -68.5 | 0 | 0 | 0 | 110.1 | ||
| 818 | P | 71.6 | Confident | 82.3 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -70.9 | 159 | -7.5 | 32.2 | -36.6 | 0 | 0 | 0 | 112 | G816 | G816-P818 CarbonylContact C-O 3.54Å; G816-P818 CarbonylContact O-C 3.46Å |
| 819 | S | 80.4 | Confident | 81.9 | Confident | 11 Ų | 11 | 59 Ų | 59 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | trans | -66 | 146.3 | 169.3 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | E769 C771 V814 G816 | E769-S819 WeakPolarHBondContact O-CB 3.43Å; E769-S819 PolarHBondContact O-OG 3.49Å; C771-S819 VanDerWaalsContact SG-C 3.59Å; C771-S819 VanDerWaalsContact SG-CB 3.58Å; V814-S819 VanDerWaalsContact O-CB 3.31Å; V814-S819 WeakPolarHBondContact O-CB 3.02Å; G816-S819 PolarHBondContact N-OG 2.03Å; G816-S819 VanDerWaalsContact N-OG 3.14Å; G816-S819 PolarHBondContact O-N 2.83Å; G816-S819 PolarHBondContact O-OG 3.46Å | ||
| 820 | Q | 83 | Confident | 81.4 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 158.8 | -174.1 | -59.5 | -173.1 | 19.2 | 0 | 0 | 110.9 | C813 V814 | C813-Q820 CarbonylContact C-O 3.38Å; V814-Q820 WeakPolarHBondContact CG2-O 3.39Å; V814-Q820 PolarHBondContact N-O 2.83Å; V814-Q820 PolarHBondContact O-N 3.01Å |
| 821 | W | 86.6 | Confident | 80 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 17% | 0.167 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 142.5 | 169.9 | -65.6 | 105 | 0 | 0 | 0 | 110.1 | C771 L772 P774 Y789 L795 I811 T812 C813 S823 | C771-W821 HydrophobicContact CB-CD2 4.28Å; C771-W821 HydrophobicContact CB-CZ2 3.74Å; L772-W821 PolarHBondContact O-NE1 3.48Å; P774-W821 HydrophobicContact CG-CD2 4.36Å; P774-W821 HydrophobicContact CG-CG 4.46Å; P774-W821 HydrophobicContact CG-CZ2 4.35Å; Y789-W821 HydrophobicContact CD1-CH2 4.13Å; Y789-W821 AromaticContact CD2-CH2 3.76Å; Y789-W821 HydrophobicContact CD2-CH2 3.76Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.39Å; Y789-W821 HydrophobicContact CE2-CZ2 4.2Å; Y789-W821 AromaticContact CG-CH2 3.62Å; Y789-W821 HydrophobicContact CG-CH2 3.62Å; Y789-W821 AromaticContact CG-CZ2 3.88Å; Y789-W821 HydrophobicContact CG-CZ2 3.88Å; L795-W821 HydrophobicContact CB-CH2 4.07Å; L795-W821 HydrophobicContact CB-CZ3 4.07Å; L795-W821 HydrophobicContact CD2-CH2 4.38Å; I811-W821 HydrophobicContact CB-CE3 4.23Å; I811-W821 HydrophobicContact CD1-CB 4.23Å; I811-W821 HydrophobicContact CD1-CD2 3.79Å; I811-W821 HydrophobicContact CD1-CE3 3.69Å; I811-W821 HydrophobicContact CD1-CG 4.03Å; I811-W821 HydrophobicContact CD1-CZ3 4.33Å; I811-W821 HydrophobicContact CG1-CD2 4.22Å; I811-W821 HydrophobicContact CG1-CE3 3.59Å; I811-W821 HydrophobicContact CG1-CZ3 4Å; T812-W821 WeakPolarHBondContact O-CA 3.49Å; C813-W821 HydrophobicContact CB-CE3 4.17Å; C813-W821 HydrophobicContact CB-CH2 4.16Å; C813-W821 HydrophobicContact CB-CZ3 3.92Å; W821-S823 PolarHBondContact O-N 2.95Å; W821-S823 VanDerWaalsContact O-N 3.13Å |
| 822 | T | 88.1 | Confident | 78.2 | Confident | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -53.1 | -31 | 175.2 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | T812 V814 | T812-T822 PolarHBondContact N-OG1 2.84Å; T812-T822 PolarHBondContact O-N 2.97Å; T812-T822 VanDerWaalsContact OG1-CG2 3.22Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.47Å; V814-T822 HydrophobicContact CG1-CG2 3.71Å |
| 823 | S | 82.6 | Confident | 76.2 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -159.7 | 157.8 | -167.1 | 31.8 | 0 | 0 | 0 | 0 | 110.1 | E808 I811 W821 | E808-S823 VanDerWaalsContact OE2-CB 3.29Å; E808-S823 WeakPolarHBondContact OE2-CB 3.03Å; E808-S823 PolarHBondContact OE2-OG 2.97Å; I811-S823 VanDerWaalsContact CG2-OG 3.23Å; I811-S823 WeakPolarHBondContact CG2-OG 3.49Å; W821-S823 PolarHBondContact O-N 2.95Å; W821-S823 VanDerWaalsContact O-N 3.13Å |
| 824 | Q | 82.9 | Confident | 74 | Confident | 172 Ų | 172 | 87.2 Ų | 87.2 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 152.9 | 176.1 | -67.1 | -178.8 | 1.5 | 0 | 0 | 110.6 | ||
| 825 | P | 82.6 | Confident | 72 | Confident | 44 Ų | 44 | 91.5 Ų | 91.5 | 29% | 0.286 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 136.7 | 177.7 | 23.9 | -33.7 | 0 | 0 | 0 | 111.1 | F797 | F797-P825 HydrophobicContact CE2-CB 4.29Å; F797-P825 HydrophobicContact CZ-CB 4.08Å |
| 826 | P | 85.2 | Confident | 70.3 | Confident | 3 Ų | 3 | 95 Ų | 95 | 2% | 0.019 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 154.4 | -173.1 | 31 | -36.6 | 0 | 0 | 0 | 112.4 | P777 F797 L805 | P777-P826 WeakPolarHBondContact CB-O 3.35Å; P777-P826 WeakPolarHBondContact CG-O 3.25Å; F797-P826 HydrophobicContact CB-CG 3.72Å; F797-P826 HydrophobicContact CD2-CG 3.88Å; F797-P826 HydrophobicContact CG-CG 3.99Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.09Å; L805-P826 HydrophobicContact CD2-CB 3.42Å; L805-P826 VanDerWaalsContact CD2-CB 3.42Å; L805-P826 HydrophobicContact CD2-CG 3.86Å; L805-P826 HydrophobicContact CG-CB 3.85Å; L805-P826 HydrophobicContact CG-CG 4.01Å |
| 827 | L | 84.3 | Confident | 68.7 | Low | 103 Ų | 103 | 101.4 Ų | 101.4 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.4 | -177.3 | -63.6 | 173.4 | 0 | 0 | 0 | 111.8 | I806 | I806-L827 PolarHBondContact N-O 2.04Å; I806-L827 PolarHBondContact O-N 3.33Å |
| 828 | C | 84.9 | Confident | 67.5 | Low | 15 Ų | 15 | 101.7 Ų | 101.7 | 10% | 0.101 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.6 | 174.1 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | E778 N779 C799 F803 E804 | E778-C828 WeakPolarHBondContact O-CB 3.34Å; N779-C828 HydrophobicContact CB-CB 4.34Å; C799-C828 WeakPolarHBondContact CA-SG 3.46Å; C799-C828 HydrophobicContact CB-CB 3.76Å; C799-C828 WeakPolarHBondContact CB-SG 3.23Å; C799-C828 WeakPolarHBondContact SG-CA 3.22Å; C799-C828 WeakPolarHBondContact SG-CB 3.38Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.88Å; F803-C828 HydrophobicContact CB-CB 3.99Å; F803-C828 HydrophobicContact CD1-CB 4.39Å; F803-C828 HydrophobicContact CG-CB 4.45Å; E804-C828 WeakPolarHBondContact O-CA 3.38Å |
| 829 | K | 76.7 | Confident | 65.8 | Low | 114 Ų | 114 | 109.7 Ų | 109.7 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.9 | 177.9 | -64.2 | -164.3 | -169.5 | 174.3 | 0 | 112.2 | F803 E804 I806 | F803-K829 CarbonylContact C-O 3.58Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.03Å; E804-K829 PolarHBondContact N-O 2.04Å; E804-K829 PolarHBondContact O-N 3.38Å; I806-K829 HydrophobicContact CD1-CB 3.95Å; I806-K829 HydrophobicContact CD1-CD 3.82Å; I806-K829 HydrophobicContact CD1-CG 3.99Å |
| 830 | V | 74.3 | Confident | 63.4 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 67% | 0.667 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 133.4 | 175.5 | -173 | 0 | 0 | 0 | 0 | 109.5 | F803 | F803-V830 HydrophobicContact CD1-CG2 3.94Å; F803-V830 HydrophobicContact CE1-CG2 3.6Å; F803-V830 HydrophobicContact CZ-CG2 4.15Å |
| 831 | A | 58.1 | Low | 61.2 | Low | 37 Ų | 37 | 118.5 Ų | 118.5 | 31% | 0.306 | 58% | 0.58 | S | S | . | * | trans | -104.5 | 114.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E804 | E804-A831 HydrophobicContact CB-CB 4.35Å; E804-A831 VanDerWaalsContact CD-CB 3.41Å; E804-A831 HydrophobicContact CG-CB 3.7Å | ||
| 832 | Y | 50.7 | Low | 58.7 | Low | 227 Ų | 227 | 123.6 Ų | 123.6 | 89% | 0.89 | 61% | 0.605 | S | S | * | * | trans | -161.9 | 159.4 | 162 | -127.7 | -86.5 | 0 | 0 | 0 | 112.7 | ||||
| 833 | E | 46.5 | Very low | 56.2 | Low | 178 Ų | 178 | 127.3 Ų | 127.3 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | trans | 70 | 87.9 | 174.5 | -58.7 | -156.9 | 152.9 | 0 | 0 | 118.8 | ||||
| 834 | E | 42.1 | Very low | 53.7 | Low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -73.7 | 135.2 | 131 | -65.4 | -175.4 | 115.6 | 0 | 0 | 109.4 | ||||
| 835 | L | 41.4 | Very low | 51.5 | Low | 153 Ų | 153 | 132.3 Ų | 132.3 | 80% | 0.801 | 66% | 0.655 | S | S | * | * | trans | 174.7 | 127.8 | 137.6 | -99.4 | 160.2 | 0 | 0 | 0 | 112.7 | ||||
| 836 | L | 41 | Very low | 49.2 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | 65.2 | 130.7 | 164.9 | -52.4 | 165.6 | 0 | 0 | 0 | 115.5 | ||||
| 837 | D | 35.1 | Very low | 46.8 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | cis | -138.7 | 172.9 | 27.8 | -168.3 | 18.7 | 0 | 0 | 0 | 113.3 | ||||
| 838 | N | 39.6 | Very low | 44.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | -93.6 | 164.2 | -167 | -80.6 | -85.8 | 0 | 0 | 0 | 115.8 | ||||
| 839 | R | 35.9 | Very low | 42.3 | Very low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | 91.1 | 140 | 171.2 | -55.6 | 167.9 | 158.3 | 159.7 | -5.5 | 113.4 | ||||
| 840 | K | 29.9 | Very low | 40.2 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -159.8 | 134.2 | 36.9 | -174.1 | 178.4 | 171.9 | -177.3 | 0 | 114.9 | ||||
| 841 | L | 36 | Very low | 38.4 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 68.5 | 125.9 | 159 | -91.8 | 157.9 | 0 | 0 | 0 | 120.4 | ||||
| 842 | E | 35 | Very low | 37.5 | Very low | 150 Ų | 150 | 162.6 Ų | 162.6 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -70.9 | 161.4 | 162 | -42.4 | 107.9 | 131.7 | 0 | 0 | 111.9 | ||||
| 843 | V | 34.7 | Very low | 36.9 | Very low | 148 Ų | 148 | 158.7 Ų | 158.7 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | -136.2 | 129.6 | 123 | 177.8 | 0 | 0 | 0 | 0 | 108 | |||||
| 844 | T | 31.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 158.7 Ų | 158.7 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -82.5 | 148.9 | 175 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 845 | Q | 36.1 | Very low | 37.1 | Very low | 200 Ų | 200 | 153.6 Ų | 153.6 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 121.9 | 140.5 | -151 | 165.7 | 29.1 | 0 | 0 | 111.5 | ||||
| 846 | T | 33.5 | Very low | 37.6 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -108.1 | 141 | -178 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 847 | T | 35.3 | Very low | 38.4 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -144.3 | 140.4 | 153.5 | 14.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 848 | D | 30.4 | Very low | 39.3 | Very low | 149 Ų | 149 | 148 Ų | 148 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -85.4 | 155.2 | -155.9 | -77.9 | -66.6 | 0 | 0 | 0 | 116.6 | ||||
| 849 | P | 44.7 | Very low | 40 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -80.4 | 139.5 | 165.9 | 34 | -33.2 | 0 | 0 | 0 | 111.6 | ||||
| 850 | S | 32.9 | Very low | 41 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -160.4 | 158.7 | 154.5 | 63 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 851 | R | 35.8 | Very low | 42.3 | Very low | 236 Ų | 236 | 133.4 Ų | 133.4 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | 73.6 | 76.3 | 168.6 | -56.1 | -167.4 | 175.1 | -147.2 | -5.3 | 118.3 | ||||
| 852 | Q | 38.7 | Very low | 43.6 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | -69.8 | 122.4 | 125.9 | -67.8 | 176.5 | -65.7 | 0 | 0 | 108.7 | |||||
| 853 | L | 38.6 | Very low | 44.8 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | -177.6 | 155 | 126.8 | -122 | 69 | 0 | 0 | 0 | 111.5 | |||||
| 854 | E | 51.1 | Low | 46.4 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | 50.8 | 89.4 | 158.2 | -67.2 | 175.5 | 109.7 | 0 | 0 | 119.6 | ||||
| 855 | G | 42.8 | Very low | 48.1 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -102.1 | 10.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N857 | G855-N857 VanDerWaalsContact C-N 3.29Å; G855-N857 PolarHBondContact O-N 2.83Å | ||
| 856 | G | 51.5 | Low | 49.8 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 73% | 0.732 | 71% | 0.707 | S | S | * | * | trans | -81.5 | 32.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 857 | N | 57.8 | Low | 51.7 | Low | 133 Ų | 133 | 119 Ų | 119 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -154.3 | 52.2 | -176.2 | -112.1 | -29.2 | 0 | 0 | 0 | 115.1 | G855 | G855-N857 VanDerWaalsContact C-N 3.29Å; G855-N857 PolarHBondContact O-N 2.83Å |
| 858 | L | 53.2 | Low | 53.8 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 71% | 0.712 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -124.3 | -32.2 | 171.1 | -153.8 | 71.9 | 0 | 0 | 0 | 114.5 | L860 | L858-L860 PolarHBondContact O-N 2.88Š|
| 859 | A | 53.9 | Low | 56.1 | Low | 68 Ų | 68 | 115.1 Ų | 115.1 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -66.5 | -37.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | A861 I862 L863 | A859-A861 VanDerWaalsContact C-N 3.31Å; A859-A861 PolarHBondContact O-N 3.08Å; A859-I862 PolarHBondContact O-N 2.79Å; A859-L863 WeakPolarHBondContact O-CG 2.96Å; A859-L863 PolarHBondContact O-N 3.26Å |
| 860 | L | 57.1 | Low | 57.6 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.5 | -31.7 | -177.5 | -76.3 | 167.7 | 0 | 0 | 0 | 113.3 | L858 I862 L864 | L858-L860 PolarHBondContact O-N 2.88Å; L860-I862 PolarHBondContact O-N 2.95Å; L860-L864 WeakPolarHBondContact O-CB 3.13Å; L860-L864 WeakPolarHBondContact O-CG 3.17Å; L860-L864 PolarHBondContact O-N 2.63Å |
| 861 | A | 58.5 | Low | 59.9 | Low | 75 Ų | 75 | 114.4 Ų | 114.4 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.5 | -23.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A859 P865 | A859-A861 VanDerWaalsContact C-N 3.31Å; A859-A861 PolarHBondContact O-N 3.08Å; A861-P865 WeakPolarHBondContact O-CD 3.11Å |
| 862 | I | 62.2 | Low | 62.1 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 59% | 0.585 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -100.4 | -38.1 | -178.4 | -58.3 | 175.5 | 0 | 0 | 0 | 111.1 | A859 L860 P865 | A859-I862 PolarHBondContact O-N 2.79Å; L860-I862 PolarHBondContact O-N 2.95Å; I862-P865 WeakPolarHBondContact O-CD 3.24Å; I862-P865 WeakPolarHBondContact O-CG 3.39Å |
| 863 | L | 61.3 | Low | 64 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.4 | -35.1 | -175.8 | -68.2 | 171.2 | 0 | 0 | 0 | 113.6 | A859 L866 G867 | A859-L863 WeakPolarHBondContact O-CG 2.96Å; A859-L863 PolarHBondContact O-N 3.26Å; L863-L866 PolarHBondContact O-N 2.9Å; L863-G867 PolarHBondContact O-N 3.22Å |
| 864 | L | 68.4 | Low | 65.5 | Low | 121 Ų | 121 | 97.5 Ų | 97.5 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.7 | -51 | 178.6 | -78.3 | 168.5 | 0 | 0 | 0 | 114 | L860 L866 G867 L868 | L860-L864 WeakPolarHBondContact O-CB 3.13Å; L860-L864 WeakPolarHBondContact O-CG 3.17Å; L860-L864 PolarHBondContact O-N 2.63Å; L864-L866 PolarHBondContact O-N 3.38Å; L864-G867 PolarHBondContact O-N 2.83Å; L864-L868 PolarHBondContact O-N 3.06Å |
| 865 | P | 65.4 | Low | 66.8 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -35.6 | 176.8 | 24.2 | -33.1 | 0 | 0 | 0 | 112.6 | A861 I862 L868 V869 | A861-P865 WeakPolarHBondContact O-CD 3.11Å; I862-P865 WeakPolarHBondContact O-CD 3.24Å; I862-P865 WeakPolarHBondContact O-CG 3.39Å; P865-L868 PolarHBondContact O-N 2.84Å; P865-V869 WeakPolarHBondContact O-CG2 3.31Å; P865-V869 PolarHBondContact O-N 2.91Å; P865-V869 VanDerWaalsContact O-N 3.11Å |
| 866 | L | 72.8 | Confident | 68.5 | Low | 106 Ų | 106 | 91.2 Ų | 91.2 | 56% | 0.555 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.1 | -45.9 | 177.8 | -130.1 | 89.7 | 0 | 0 | 0 | 111.9 | L863 L864 L868 V869 I870 | L863-L866 PolarHBondContact O-N 2.9Å; L864-L866 PolarHBondContact O-N 3.38Å; L866-L868 VanDerWaalsContact C-N 3.31Å; L866-L868 PolarHBondContact O-N 3.08Å; L866-V869 PolarHBondContact O-N 3.38Å; L866-I870 WeakPolarHBondContact O-CG1 3.46Å; L866-I870 PolarHBondContact O-N 2.85Å; L866-I870 VanDerWaalsContact O-N 3.12Å |
| 867 | G | 73.8 | Confident | 69.5 | Low | 33 Ų | 33 | 95.6 Ų | 95.6 | 34% | 0.34 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L863 L864 I870 V871 | L863-G867 PolarHBondContact O-N 3.22Å; L864-G867 PolarHBondContact O-N 2.83Å; G867-I870 PolarHBondContact O-N 3.31Å; G867-V871 WeakPolarHBondContact O-CG2 3.46Å; G867-V871 PolarHBondContact O-N 2.92Å |
| 868 | L | 78.6 | Confident | 70.1 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67 | -38.5 | 179 | -162 | 151 | 0 | 0 | 0 | 112 | L864 P865 L866 V871 L872 | L864-L868 PolarHBondContact O-N 3.06Å; P865-L868 PolarHBondContact O-N 2.84Å; L866-L868 VanDerWaalsContact C-N 3.31Å; L866-L868 PolarHBondContact O-N 3.08Å; L868-V871 PolarHBondContact O-N 2.98Å; L868-L872 HydrophobicContact CD2-CD1 3.65Å; L868-L872 HydrophobicContact CD2-CG 4.18Å; L868-L872 WeakPolarHBondContact O-CG 3.2Å; L868-L872 PolarHBondContact O-N 3.2Å |
| 869 | V | 78.5 | Confident | 71.2 | Confident | 103 Ų | 103 | 95 Ų | 95 | 62% | 0.624 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 172.9 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | P865 L866 L872 G873 | P865-V869 WeakPolarHBondContact O-CG2 3.31Å; P865-V869 PolarHBondContact O-N 2.91Å; P865-V869 VanDerWaalsContact O-N 3.11Å; L866-V869 PolarHBondContact O-N 3.38Å; V869-L872 PolarHBondContact O-N 2.82Å; V869-G873 PolarHBondContact O-N 2.61Å |
| 870 | I | 77.4 | Confident | 71.9 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 59% | 0.59 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 177.9 | -67.4 | 165.6 | 0 | 0 | 0 | 111.3 | L866 G867 G873 S874 | L866-I870 WeakPolarHBondContact O-CG1 3.46Å; L866-I870 PolarHBondContact O-N 2.85Å; L866-I870 VanDerWaalsContact O-N 3.12Å; G867-I870 PolarHBondContact O-N 3.31Å; I870-G873 PolarHBondContact O-N 2.69Å; I870-S874 PolarHBondContact O-N 3.42Å; I870-S874 PolarHBondContact O-OG 3.39Å |
| 871 | V | 79.9 | Confident | 72.3 | Confident | 100 Ų | 100 | 95 Ų | 95 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | G867 L868 S874 G875 | G867-V871 WeakPolarHBondContact O-CG2 3.46Å; G867-V871 PolarHBondContact O-N 2.92Å; L868-V871 PolarHBondContact O-N 2.98Å; V871-S874 PolarHBondContact O-OG 3.09Å; V871-G875 PolarHBondContact O-N 3.02Å |
| 872 | L | 82.7 | Confident | 72.4 | Confident | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 175.9 | -71.3 | 176.4 | 0 | 0 | 0 | 111.9 | L868 V869 G875 V876 | L868-L872 HydrophobicContact CD2-CD1 3.65Å; L868-L872 HydrophobicContact CD2-CG 4.18Å; L868-L872 WeakPolarHBondContact O-CG 3.2Å; L868-L872 PolarHBondContact O-N 3.2Å; V869-L872 PolarHBondContact O-N 2.82Å; L872-G875 PolarHBondContact O-N 3.39Å; L872-V876 WeakPolarHBondContact O-CG2 3.5Å; L872-V876 PolarHBondContact O-N 3.15Å |
| 873 | G | 79.4 | Confident | 72.6 | Confident | 43 Ų | 43 | 100.2 Ų | 100.2 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V869 I870 V876 Y877 | V869-G873 PolarHBondContact O-N 2.61Å; I870-G873 PolarHBondContact O-N 2.69Å; G873-V876 PolarHBondContact O-N 3.38Å; G873-Y877 PolarHBondContact O-N 3.13Å |
| 874 | S | 69.5 | Low | 72.4 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 176.7 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | I870 V871 Y877 I878 | I870-S874 PolarHBondContact O-N 3.42Å; I870-S874 PolarHBondContact O-OG 3.39Å; V871-S874 PolarHBondContact O-OG 3.09Å; S874-Y877 PolarHBondContact O-N 2.89Å; S874-I878 VanDerWaalsContact O-CG1 3.31Å; S874-I878 WeakPolarHBondContact O-CG1 3.44Å; S874-I878 PolarHBondContact O-N 3.07Å |
| 875 | G | 77.4 | Confident | 71.9 | Confident | 38 Ų | 38 | 99 Ų | 99 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V871 L872 I878 Y879 | V871-G875 PolarHBondContact O-N 3.02Å; L872-G875 PolarHBondContact O-N 3.39Å; G875-I878 PolarHBondContact O-N 3.35Å; G875-Y879 WeakPolarHBondContact O-CB 3.42Å; G875-Y879 PolarHBondContact O-N 3.14Å |
| 876 | V | 80.1 | Confident | 71.4 | Confident | 91 Ų | 91 | 103.9 Ų | 103.9 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -39.6 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | L872 G873 Y879 Y880 | L872-V876 WeakPolarHBondContact O-CG2 3.5Å; L872-V876 PolarHBondContact O-N 3.15Å; G873-V876 PolarHBondContact O-N 3.38Å; V876-Y879 PolarHBondContact O-N 3.22Å; V876-Y880 PolarHBondContact O-N 3.31Å |
| 877 | Y | 71.6 | Confident | 70.1 | Confident | 162 Ų | 162 | 104.1 Ų | 104.1 | 64% | 0.635 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.2 | -42.2 | 176.4 | -175.2 | -97.4 | 0 | 0 | 0 | 112.7 | G873 S874 Y879 Y880 T881 | G873-Y877 PolarHBondContact O-N 3.13Å; S874-Y877 PolarHBondContact O-N 2.89Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y877-Y880 PolarHBondContact O-N 3.07Å; Y877-T881 HydrophobicContact CD1-CG2 4.35Å; Y877-T881 HydrophobicContact CE1-CG2 3.98Å; Y877-T881 HydrophobicContact CE2-CG2 4.46Å; Y877-T881 WeakPolarHBondContact O-CG2 3.27Å; Y877-T881 PolarHBondContact O-N 3.43Å; Y877-T881 PolarHBondContact O-OG1 2.86Å |
| 878 | I | 71.2 | Confident | 69 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 53% | 0.533 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.4 | -36 | 175.5 | -68.4 | 166.4 | 0 | 0 | 0 | 111.3 | S874 G875 T881 K882 | S874-I878 VanDerWaalsContact O-CG1 3.31Å; S874-I878 WeakPolarHBondContact O-CG1 3.44Å; S874-I878 PolarHBondContact O-N 3.07Å; G875-I878 PolarHBondContact O-N 3.35Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 2.66Å; I878-K882 PolarHBondContact O-N 3.29Å |
| 879 | Y | 75.1 | Confident | 67.2 | Low | 153 Ų | 153 | 111.7 Ų | 111.7 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.2 | -47.3 | 174.2 | -177.1 | -98.9 | 0 | 0 | 0 | 112.1 | G875 V876 Y877 K882 L883 | G875-Y879 WeakPolarHBondContact O-CB 3.42Å; G875-Y879 PolarHBondContact O-N 3.14Å; V876-Y879 PolarHBondContact O-N 3.22Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y879-K882 PolarHBondContact O-N 3.36Å; Y879-L883 HydrophobicContact CE1-CD1 4.21Å; Y879-L883 HydrophobicContact CE2-CD1 4.5Å; Y879-L883 PolarHBondContact O-N 3.23Å |
| 880 | Y | 69.3 | Low | 65 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.9 | -41.6 | 180 | -118.1 | -84.1 | 0 | 0 | 0 | 113 | V876 Y877 K882 L883 Q884 | V876-Y880 PolarHBondContact O-N 3.31Å; Y877-Y880 PolarHBondContact O-N 3.07Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.44Å; Y880-L883 PolarHBondContact O-N 2.8Å; Y880-L883 VanDerWaalsContact O-N 3.14Å; Y880-Q884 PolarHBondContact O-N 2.91Å; Y880-Q884 VanDerWaalsContact O-N 3.12Å |
| 881 | T | 64.8 | Low | 62.9 | Low | 29 Ų | 29 | 113.2 Ų | 113.2 | 18% | 0.178 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -65.3 | -36.4 | 177.3 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | Y877 I878 Q884 | Y877-T881 HydrophobicContact CD1-CG2 4.35Å; Y877-T881 HydrophobicContact CE1-CG2 3.98Å; Y877-T881 HydrophobicContact CE2-CG2 4.46Å; Y877-T881 WeakPolarHBondContact O-CG2 3.27Å; Y877-T881 PolarHBondContact O-N 3.43Å; Y877-T881 PolarHBondContact O-OG1 2.86Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 2.66Å; T881-Q884 PolarHBondContact O-N 2.89Å |
| 882 | K | 61.8 | Low | 60.8 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.2 | -37.3 | 169.3 | -90.3 | -124.7 | 173.4 | -175.5 | 0 | 113.5 | I878 Y879 Y880 Q884 G885 | I878-K882 PolarHBondContact O-N 3.29Å; Y879-K882 PolarHBondContact O-N 3.36Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.44Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 2.67Å; K882-G885 PolarHBondContact O-N 2.68Å |
| 883 | L | 66.1 | Low | 58.5 | Low | 118 Ų | 118 | 112.9 Ų | 112.9 | 62% | 0.618 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -28.1 | 178.4 | -128.5 | 81.3 | 0 | 0 | 0 | 113 | Y879 Y880 | Y879-L883 HydrophobicContact CE1-CD1 4.21Å; Y879-L883 HydrophobicContact CE2-CD1 4.5Å; Y879-L883 PolarHBondContact O-N 3.23Å; Y880-L883 PolarHBondContact O-N 2.8Å; Y880-L883 VanDerWaalsContact O-N 3.14Å |
| 884 | Q | 57.4 | Low | 56.3 | Low | 136 Ų | 136 | 116.1 Ų | 116.1 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 7.6 | -179.4 | -70.3 | -173.8 | -19.7 | 0 | 0 | 114.7 | Y880 T881 K882 K886 | Y880-Q884 PolarHBondContact O-N 2.91Å; Y880-Q884 VanDerWaalsContact O-N 3.12Å; T881-Q884 PolarHBondContact O-N 2.89Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 2.67Å; Q884-K886 VanDerWaalsContact C-N 3.26Å; Q884-K886 PolarHBondContact O-N 3.4Å; Q884-K886 VanDerWaalsContact O-N 3.11Å |
| 885 | G | 57.3 | Low | 54.4 | Low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | 12.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | K882 | K882-G885 PolarHBondContact O-N 2.68Š|
| 886 | K | 54 | Low | 52.2 | Low | 174 Ų | 174 | 126.2 Ų | 126.2 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | -94.7 | 126.6 | 176.2 | -72.7 | -174.8 | 175.9 | -179.6 | 0 | 111 | Q884 | Q884-K886 VanDerWaalsContact C-N 3.26Å; Q884-K886 PolarHBondContact O-N 3.4Å; Q884-K886 VanDerWaalsContact O-N 3.11Å | ||
| 887 | S | 45.3 | Very low | 49.7 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -71.2 | 137.6 | 179.7 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 888 | L | 52 | Low | 47.8 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -104.8 | 116.5 | 168.9 | -81.2 | 159.9 | 0 | 0 | 0 | 108.1 | ||
| 889 | F | 39.6 | Very low | 46.2 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | 67.1 | 128.4 | -170.2 | -66.9 | -90.4 | 0 | 0 | 0 | 116.3 | F891 | F889-F891 HydrophobicContact CD1-CD2 4.24Å; F889-F891 HydrophobicContact CD1-CE2 4.27Å | ||
| 890 | G | 32.8 | Very low | 44.1 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | -135.5 | 129.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 891 | F | 33.2 | Very low | 42.3 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -150.8 | 150.4 | 178.1 | -97.5 | -71 | 0 | 0 | 0 | 109.7 | F889 | F889-F891 HydrophobicContact CD1-CD2 4.24Å; F889-F891 HydrophobicContact CD1-CE2 4.27Å | ||
| 892 | S | 36.1 | Very low | 40.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 69.9 | 130.4 | -178.9 | -43.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 893 | G | 34.2 | Very low | 39.4 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | cis | -162.1 | -167.3 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 894 | S | 32.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | -165.8 | 140.8 | 1.3 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 895 | H | 30.1 | Very low | 37 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | trans | -150.3 | 163.5 | 149.2 | -104.3 | -81.3 | 0 | 0 | 0 | 108.4 | ||||
| 896 | S | 30.3 | Very low | 35.7 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -144.8 | 149.6 | -159.2 | -151.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 897 | Y | 29.4 | Very low | 34.6 | Very low | 217 Ų | 217 | 134.6 Ų | 134.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | 64 | 145.7 | -178.6 | -75.7 | -98.1 | 0 | 0 | 0 | 116.2 | ||||
| 898 | S | 31.1 | Very low | 34.1 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -135.2 | 163.9 | 5 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 899 | P | 38.2 | Very low | 33.7 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -110.9 | 156.7 | -158.7 | 39.8 | -32.7 | 0 | 0 | 0 | 116.2 | ||||
| 900 | I | 30.2 | Very low | 33.3 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -135.3 | 125.5 | 149.1 | -62.6 | -178.5 | 0 | 0 | 0 | 107.3 | ||||
| 901 | T | 32.3 | Very low | 33.3 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -152.2 | 117.1 | -177.7 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 902 | V | 35.1 | Very low | 33.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 66.7 | 162.8 | 155.3 | -156.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 903 | E | 29.8 | Very low | 33.2 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | -109.9 | 165.6 | 3.5 | -95.1 | 72.7 | -147.1 | 0 | 0 | 114.7 | ||||
| 904 | S | 41.2 | Very low | 32.9 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -84.2 | 136 | 155.7 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 905 | D | 31.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | -173.5 | 154.5 | 130 | -104.5 | -17 | 0 | 0 | 0 | 116.7 | |||||
| 906 | F | 30.2 | Very low | 33 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | 13.7 | 121.3 | 151 | -83 | -98.6 | 0 | 0 | 0 | 121.8 | ||||
| 907 | S | 31.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | 144.6 | 142.1 | 117.6 | -66.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 908 | N | 33.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -61.9 | 161.4 | 165.2 | -136.2 | 4.9 | 0 | 0 | 0 | 110.5 | ||||
| 909 | P | 44.7 | Very low | 33.7 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | -157.9 | 172.2 | 56.7 | 44.9 | -23.9 | 0 | 0 | 0 | 120.2 | |||||
| 910 | L | 31.3 | Very low | 33.5 | Very low | 154 Ų | 154 | 147 Ų | 147 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 66.5 | 149.7 | 138.1 | -81.2 | 163.9 | 0 | 0 | 0 | 124 | ||||
| 911 | Y | 33.4 | Very low | 33.6 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -52.3 | 149.9 | 169.5 | -81.5 | -112.3 | 0 | 0 | 0 | 115.1 | ||||
| 912 | E | 32.2 | Very low | 33.8 | Very low | 193 Ų | 193 | 144 Ų | 144 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | -158.1 | 179.3 | 112.8 | -119.2 | 177.3 | -176.8 | 0 | 0 | 113.4 | |||||
| 913 | A | 33.2 | Very low | 34 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -40.4 | 146 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 914 | G | 28.6 | Very low | 34.3 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | 112 | 143.3 | 66.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 915 | D | 30.4 | Very low | 33.9 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | cis | -147.2 | -171.8 | 41.7 | -165.4 | -0.4 | 0 | 0 | 0 | 111.9 | ||||
| 916 | T | 34.7 | Very low | 34 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 58% | 0.577 | 80% | 0.801 | S | S | * | * | trans | -80 | 146.9 | -163.3 | 47.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 917 | R | 37.2 | Very low | 34.3 | Very low | 233 Ų | 233 | 150.1 Ų | 150.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | 178.4 | 105 | 125.9 | -94.1 | 156.7 | -173.3 | -153.6 | -1.2 | 108.9 | |||||
| 918 | E | 35 | Very low | 34.4 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 65% | 0.654 | 80% | 0.802 | S | S | * | * | 78.7 | 108.2 | 63.8 | -71.9 | -156.3 | 158.4 | 0 | 0 | 114.9 | |||||
| 919 | Y | 34 | Very low | 34.5 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 63.2 | 115.3 | 144.2 | -57.2 | -55.8 | 0 | 0 | 0 | 119.5 | ||||
| 920 | E | 33.4 | Very low | 33.8 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 89.1 | 152.2 | 89.2 | -135.8 | -179.8 | -154.6 | 0 | 0 | 109.6 | |||||
| 921 | V | 32.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -138.3 | 158.5 | 16.5 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 922 | S | 35.8 | Very low | 34 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -62.8 | 146 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 923 | I | 41.1 | Very low | 34.2 | Very low | 243 Ų | 243 | 147.2 Ų | 147.2 | 100% | 1.246 | 80% | 0.799 | S | S | * | * | -126.4 | 0 | 122.2 | -76 | 178.9 | 0 | 0 | 0 | 106.8 |
Retrieved 923 of 923 residues in 3959 ms
(Link to these results)