| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.7 | Very low | 29.1 | Very low | 230 Ų | 230 | 151.2 Ų | 151.2 | 100% | 1.133 | 75% | 0.749 | S | S | * | * | 0 | 111.3 | 0 | -70.8 | 156.3 | 168.8 | 0 | 0 | 106.1 | |||||
| 2 | L | 29.1 | Very low | 28.8 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | 64.1 | 89 | 79.3 | -71.8 | 164.5 | 0 | 0 | 0 | 110 | |||||
| 3 | T | 28.7 | Very low | 28.4 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | 79.2 | 139.9 | 90.3 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 4 | R | 29.5 | Very low | 28.1 | Very low | 210 Ų | 210 | 143.4 Ų | 143.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | cis | -155.1 | 152.5 | 10.5 | -124.6 | -177 | 174.2 | 151.1 | -0.9 | 109.8 | ||||
| 5 | M | 28.2 | Very low | 27.8 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | 49.7 | 140.8 | 107 | -70.6 | 174.9 | 151 | 0 | 0 | 116.1 | |||||
| 6 | T | 30.5 | Very low | 27.6 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | cis | -163.1 | 142.7 | 10.9 | 15.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 7 | D | 31.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | 62.1 | 147.8 | 82.6 | -56.4 | -50.9 | 0 | 0 | 0 | 114.7 | |||||
| 8 | H | 29.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -153.9 | -166.7 | -4.8 | -119.4 | 41.5 | 0 | 0 | 0 | 105.5 | ||||
| 9 | E | 28.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | cis | -158.1 | -169.9 | 5.8 | -117.1 | -135.6 | 102.5 | 0 | 0 | 107 | ||||
| 10 | V | 27.2 | Very low | 27.5 | Very low | 93 Ų | 93 | 155.5 Ų | 155.5 | 56% | 0.564 | 77% | 0.774 | S | S | * | * | -161.5 | 166.1 | -80.7 | 130 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 11 | F | 25.1 | Very low | 27.5 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 77% | 0.772 | 78% | 0.777 | S | S | * | * | trans | 78.3 | 125.1 | 159.8 | -78.1 | -32.3 | 0 | 0 | 0 | 126.6 | ||||
| 12 | L | 25.4 | Very low | 27.2 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | 62.5 | 136.3 | 128.6 | -68.6 | 165.1 | 0 | 0 | 0 | 123.7 | |||||
| 13 | G | 23.7 | Very low | 26.9 | Very low | 82 Ų | 82 | 154 Ų | 154 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 163.7 | 87.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 14 | A | 24.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 156.4 Ų | 156.4 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -109.7 | 146.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 15 | S | 24.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | -175.4 | 139.3 | 123.3 | -173.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 16 | Y | 23.5 | Very low | 26.6 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -37.4 | 158.1 | 148.9 | -131.6 | -127.9 | 0 | 0 | 0 | 113.2 | ||||
| 17 | R | 24.5 | Very low | 26.5 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | -172.4 | 148.8 | 61 | 171.3 | 171.8 | -87.9 | 169.4 | -4.3 | 113.1 | |||||
| 18 | R | 29.8 | Very low | 26.4 | Very low | 227 Ų | 227 | 154.9 Ų | 154.9 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -91.3 | 139.7 | 167.8 | -172.3 | -163.3 | -57.7 | 166.4 | 1 | 110.9 | ||||
| 19 | R | 24.6 | Very low | 26.2 | Very low | 197 Ų | 197 | 156.8 Ų | 156.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -156.3 | 150.7 | 159.9 | -154.2 | -179 | -80.7 | -170.1 | -5.2 | 111.6 | ||||
| 20 | H | 30.2 | Very low | 26.1 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 160.5 | 162.7 | -77.7 | -117.3 | 0 | 0 | 0 | 110.5 | ||||
| 21 | D | 26.6 | Very low | 26 | Very low | 156 Ų | 156 | 155 Ų | 155 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | -157.4 | 162.1 | 117.7 | -90.1 | -38.1 | 0 | 0 | 0 | 109.3 | |||||
| 22 | S | 26 | Very low | 26.1 | Very low | 104 Ų | 104 | 157.4 Ų | 157.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -99.2 | 165.1 | 174.2 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 23 | W | 23.7 | Very low | 26.2 | Very low | 246 Ų | 246 | 156.5 Ų | 156.5 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -170 | 175.2 | 139.2 | -116.6 | 64.9 | 0 | 0 | 0 | 110.5 | ||||
| 24 | Q | 25.7 | Very low | 26.3 | Very low | 167 Ų | 167 | 158 Ų | 158 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -110.6 | 153.6 | -164.1 | -65.4 | 178 | -64.8 | 0 | 0 | 115.4 | ||||
| 25 | S | 27.1 | Very low | 26.4 | Very low | 99 Ų | 99 | 163 Ų | 163 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 125.4 | 142.6 | -64.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 26 | N | 26.8 | Very low | 26.4 | Very low | 139 Ų | 139 | 163.7 Ų | 163.7 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 92.4 | 143.4 | 131.6 | -78.4 | 0.4 | 0 | 0 | 0 | 123.7 | ||||
| 27 | H | 29.2 | Very low | 26.5 | Very low | 169 Ų | 169 | 164 Ų | 164 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | 82.2 | 125.8 | 160.9 | -68.5 | -59.7 | 0 | 0 | 0 | 121.8 | ||||
| 28 | N | 28.7 | Very low | 26.7 | Very low | 144 Ų | 144 | 160.6 Ų | 160.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -53.1 | 151.6 | 173.4 | -44 | -32.4 | 0 | 0 | 0 | 113.6 | ||||
| 29 | F | 25.2 | Very low | 26.5 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -161.7 | 172.4 | 114 | -126.3 | -121.4 | 0 | 0 | 0 | 114.4 | |||||
| 30 | L | 26.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -55.4 | 140.8 | -170 | -74.2 | 155.9 | 0 | 0 | 0 | 118.2 | ||||
| 31 | G | 25.8 | Very low | 26.6 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | 87 | 112.1 | 94.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 32 | Y | 26.3 | Very low | 26.7 | Very low | 225 Ų | 225 | 149.6 Ų | 149.6 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -151.5 | 147.7 | 160.5 | -99.9 | -98.8 | 0 | 0 | 0 | 106.4 | ||||
| 33 | L | 28.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | cis | -152.7 | 140.7 | -6.6 | -152.2 | -176.7 | 0 | 0 | 0 | 106.6 | ||||
| 34 | S | 25.5 | Very low | 26.8 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -151.6 | 117.6 | 167.7 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 35 | Y | 26.7 | Very low | 27 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | trans | -160.8 | 121.4 | 171.7 | -126.9 | -87.5 | 0 | 0 | 0 | 110.3 | ||||
| 36 | C | 24.1 | Very low | 27 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 89% | 0.892 | 75% | 0.753 | S | S | * | * | -179.6 | 120.4 | 129.3 | -99 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 37 | R | 26.1 | Very low | 27 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | -133.6 | 158.8 | 169.8 | -128.3 | 178.4 | -176.6 | -134.1 | 7.8 | 103.2 | ||||
| 38 | E | 27.8 | Very low | 26.9 | Very low | 122 Ų | 122 | 148 Ų | 148 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | cis | -164.1 | -166.5 | 17.2 | -164.4 | 133.2 | -137.5 | 0 | 0 | 107.7 | ||||
| 39 | I | 26.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | 74.5 | 135.1 | 161.7 | -61.1 | 160.1 | 0 | 0 | 0 | 115.9 | ||||
| 40 | D | 28.2 | Very low | 26.9 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | cis | -174.9 | 170 | -19.6 | -95.5 | -22.6 | 0 | 0 | 0 | 107.6 | ||||
| 41 | A | 27.2 | Very low | 26.9 | Very low | 77 Ų | 77 | 146.3 Ų | 146.3 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -170.1 | -176.7 | -21.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 42 | D | 28.8 | Very low | 26.9 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 73.5 | 157.7 | 154.7 | -79.8 | -12.9 | 0 | 0 | 0 | 124.3 | ||||
| 43 | F | 25.8 | Very low | 26.8 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 69.2 | 129.4 | 178.8 | -82.3 | -105.9 | 0 | 0 | 0 | 118.9 | ||||
| 44 | F | 27.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | cis | -166.3 | 161.5 | -12 | -144.2 | -131.7 | 0 | 0 | 0 | 113.3 | ||||
| 45 | H | 28.4 | Very low | 26.9 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 58.8 | 108 | 156.3 | -87.4 | -18.8 | 0 | 0 | 0 | 124.9 | ||||
| 46 | T | 27.7 | Very low | 26.9 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 78.3 | 128.7 | 116.4 | -41.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 47 | I | 27.1 | Very low | 27.1 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -92.2 | 137.6 | 163.2 | -61.5 | 160.7 | 0 | 0 | 0 | 109.3 | ||||
| 48 | N | 27.1 | Very low | 27.1 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -152.9 | 161.6 | 145.6 | -140.2 | -21.6 | 0 | 0 | 0 | 113.4 | ||||
| 49 | Y | 28.3 | Very low | 27.4 | Very low | 222 Ų | 222 | 153.1 Ų | 153.1 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -151.9 | 86.6 | -162.2 | -154.9 | -72.9 | 0 | 0 | 0 | 111.2 | ||||
| 50 | S | 25.8 | Very low | 27.4 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -156.4 | 151.6 | 170.1 | 80.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 51 | D | 26.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 63.3 | 148.2 | 159 | -50.2 | -48.8 | 0 | 0 | 0 | 118.2 | ||||
| 52 | F | 26.3 | Very low | 27.6 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | cis | -144.2 | 150.3 | 33.4 | -139.8 | -90 | 0 | 0 | 0 | 113.5 | R54 | F52-R54 VanDerWaalsContact CE1-O 3.26Å; F52-R54 WeakPolarHBondContact CE1-O 3.25Å | ||
| 53 | M | 24.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 156.5 Ų | 156.5 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -149.2 | 118.5 | 175.2 | -129.6 | -71.3 | -174.7 | 0 | 0 | 111.5 | ||||
| 54 | R | 27.1 | Very low | 27.8 | Very low | 203 Ų | 203 | 155 Ų | 155 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 69.1 | 145.1 | -175.1 | -47.3 | 177.9 | -178.8 | -176.7 | -0.6 | 111.7 | F52 | F52-R54 VanDerWaalsContact CE1-O 3.26Å; F52-R54 WeakPolarHBondContact CE1-O 3.25Å | ||
| 55 | T | 27.3 | Very low | 28.3 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | -141 | 179.3 | 52.2 | 10.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 56 | K | 26.9 | Very low | 28.5 | Very low | 194 Ų | 194 | 153.6 Ų | 153.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -67.9 | 156.2 | 176.4 | -48.2 | 168.8 | -178.5 | 175 | 0 | 112 | ||||
| 57 | L | 28.6 | Very low | 28.6 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | -161.8 | 158.4 | 129.1 | -108.3 | 163.3 | 0 | 0 | 0 | 112 | |||||
| 58 | F | 25.6 | Very low | 28.6 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -84.6 | 151 | 170.2 | -84.4 | -97.5 | 0 | 0 | 0 | 109.5 | ||||
| 59 | P | 34.6 | Very low | 28.8 | Very low | 115 Ų | 115 | 161 Ų | 161 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | -141.3 | 138.2 | 86.3 | 36.5 | -19.5 | 0 | 0 | 0 | 113.1 | |||||
| 60 | S | 27.3 | Very low | 28.8 | Very low | 95 Ų | 95 | 158.9 Ų | 158.9 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | 87.6 | 138.8 | 76.1 | 89.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 61 | E | 28.2 | Very low | 29 | Very low | 133 Ų | 133 | 163.5 Ų | 163.5 | 62% | 0.621 | 80% | 0.798 | S | S | * | * | trans | 51.5 | 105.4 | 158.7 | -71.2 | -65.1 | 136.1 | 0 | 0 | 119.5 | R63 | E61-R63 IonicContact OE1-NH2 3.9Š| ||
| 62 | L | 31.1 | Very low | 29.5 | Very low | 174 Ų | 174 | 162.5 Ų | 162.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | -150.3 | 124.6 | 122.2 | -138.7 | 75.9 | 0 | 0 | 0 | 111.5 | |||||
| 63 | R | 29 | Very low | 29.8 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | -81.5 | 162.7 | 160.6 | -60.4 | 175.8 | -168.9 | 172 | 4.5 | 107.2 | E61 | E61-R63 IonicContact OE1-NH2 3.9Š| ||
| 64 | V | 30.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | -159 | 170.2 | 58.3 | -95.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 65 | P | 37.2 | Very low | 30.5 | Very low | 116 Ų | 116 | 153 Ų | 153 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -111.1 | 163.1 | -152.4 | 40.7 | -35 | 0 | 0 | 0 | 116.1 | ||||
| 66 | V | 32.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -128.3 | 139 | 156.2 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 67 | K | 29.5 | Very low | 30.9 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -72.3 | 141.7 | -165.6 | -65.8 | 164 | 177.2 | 171 | 0 | 113.5 | ||||
| 68 | M | 27.5 | Very low | 31.2 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -57.4 | 142.9 | 154.9 | -75.7 | 162.6 | 59.5 | 0 | 0 | 110.6 | F70 | M68-F70 HydrophobicContact CE-CD2 4.13Å; M68-F70 HydrophobicContact CE-CE2 3.51Å; M68-F70 HydrophobicContact CE-CZ 4.19Å | ||
| 69 | R | 31.8 | Very low | 31.4 | Very low | 231 Ų | 231 | 148.8 Ų | 148.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -123.9 | 115.7 | 155.2 | -85.7 | -174.5 | 166 | 178.1 | -4.1 | 108.5 | ||||
| 70 | F | 27.8 | Very low | 31.3 | Very low | 176 Ų | 176 | 151 Ų | 151 | 77% | 0.772 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 139.8 | 161.1 | -84.3 | -93.7 | 0 | 0 | 0 | 109.2 | M68 | M68-F70 HydrophobicContact CE-CD2 4.13Å; M68-F70 HydrophobicContact CE-CE2 3.51Å; M68-F70 HydrophobicContact CE-CZ 4.19Å | ||
| 71 | F | 30.5 | Very low | 31.9 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -130.5 | 147.8 | 146.8 | -102.3 | -96.7 | 0 | 0 | 0 | 107.8 | ||||
| 72 | P | 36.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 155 Ų | 155 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -82.8 | 172.8 | -165.2 | 34.2 | -36.4 | 0 | 0 | 0 | 113.2 | ||||
| 73 | A | 32.3 | Very low | 32.3 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 149.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 74 | L | 32.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -135.2 | 109.8 | 150.7 | -147.3 | 125.9 | 0 | 0 | 0 | 108.1 | V76 | L74-V76 HydrophobicContact CD2-CG2 4.39Š| ||
| 75 | A | 33.3 | Very low | 32.7 | Very low | 85 Ų | 85 | 148.8 Ų | 148.8 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 120.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 76 | V | 34 | Very low | 32.4 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -108.1 | 98.8 | 168.9 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | L74 L78 | L74-V76 HydrophobicContact CD2-CG2 4.39Å; V76-L78 PolarHBondContact O-N 3Å | ||
| 77 | F | 30.3 | Very low | 32.6 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 106.9 | 171.8 | -101.8 | -98.7 | 0 | 0 | 0 | 109.6 | F79 | F77-F79 HydrophobicContact CD1-CD2 4.33Å; F77-F79 AromaticContact CD1-CE2 3.94Å; F77-F79 HydrophobicContact CD1-CE2 3.94Å | ||
| 78 | L | 33.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -100.7 | 107.3 | 160.9 | -82.2 | 169.1 | 0 | 0 | 0 | 109 | V76 F80 | V76-L78 PolarHBondContact O-N 3Å; L78-F80 PolarHBondContact O-N 2.67Å | ||
| 79 | F | 31.1 | Very low | 33.5 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 93.6 | 173.1 | -88.3 | -99.9 | 0 | 0 | 0 | 110.2 | F77 | F77-F79 HydrophobicContact CD1-CD2 4.33Å; F77-F79 AromaticContact CD1-CE2 3.94Å; F77-F79 HydrophobicContact CD1-CE2 3.94Å | ||
| 80 | F | 31.9 | Very low | 34 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -90.9 | 100.2 | 160.3 | -105.8 | -78.2 | 0 | 0 | 0 | 109.8 | L78 Y82 | L78-F80 PolarHBondContact O-N 2.67Å; F80-Y82 HydrophobicContact CB-CD2 4.26Å; F80-Y82 HydrophobicContact CB-CE2 4.18Å; F80-Y82 HydrophobicContact CD1-CD2 4.35Å; F80-Y82 AromaticContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CE1-CE2 4.39Å; F80-Y82 HydrophobicContact CG-CE2 4.21Å; F80-Y82 PolarHBondContact O-N 2.74Å | ||
| 81 | T | 39.2 | Very low | 35 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 91.1 | 176.7 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 82 | Y | 34.8 | Very low | 36.7 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 74% | 0.737 | 79% | 0.793 | S | S | * | * | trans | -103.7 | 123.8 | 160.5 | -73.3 | -75.8 | 0 | 0 | 0 | 109 | F80 L84 | F80-Y82 HydrophobicContact CB-CD2 4.26Å; F80-Y82 HydrophobicContact CB-CE2 4.18Å; F80-Y82 HydrophobicContact CD1-CD2 4.35Å; F80-Y82 AromaticContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CE1-CE2 4.39Å; F80-Y82 HydrophobicContact CG-CE2 4.21Å; F80-Y82 PolarHBondContact O-N 2.74Å; Y82-L84 PolarHBondContact O-N 3.26Å | ||
| 83 | G | 33.8 | Very low | 38.3 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -60 | 125.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S85 | G83-S85 PolarHBondContact O-N 2.91Š| ||
| 84 | L | 30.7 | Very low | 40.1 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -65 | 103 | 162.9 | -74.3 | 169.8 | 0 | 0 | 0 | 107.6 | Y82 E86 | Y82-L84 PolarHBondContact O-N 3.26Å; L84-E86 PolarHBondContact O-N 2.92Å | ||
| 85 | S | 35.7 | Very low | 41.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -57.2 | 125.8 | 171.4 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | G83 A87 | G83-S85 PolarHBondContact O-N 2.91Å; S85-A87 PolarHBondContact O-N 3.39Å | ||
| 86 | E | 31.4 | Very low | 43.6 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -62.8 | 125.5 | -167.9 | -168 | 167.5 | -174.3 | 0 | 0 | 110.8 | L84 A88 | L84-E86 PolarHBondContact O-N 2.92Å; E86-A88 PolarHBondContact O-N 2.77Å | ||
| 87 | A | 36.9 | Very low | 45.7 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -74.4 | 79.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110 | S85 R89 | S85-A87 PolarHBondContact O-N 3.39Å; A87-R89 PolarHBondContact O-N 3.46Å | ||
| 88 | A | 35.3 | Very low | 48.1 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -48.7 | 130.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | E86 | E86-A88 PolarHBondContact O-N 2.77Š| ||
| 89 | R | 40 | Very low | 50.3 | Low | 222 Ų | 222 | 136.4 Ų | 136.4 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -65.3 | 151.4 | 177.7 | -65.2 | 177.5 | -179.5 | 176.4 | 0.8 | 109.7 | A87 E91 | A87-R89 PolarHBondContact O-N 3.46Å; R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 3.1Å | ||
| 90 | P | 42.9 | Very low | 52.6 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -73.7 | 85.6 | 179.4 | 30.9 | -35.2 | 0 | 0 | 0 | 110.7 | ||||
| 91 | E | 50.2 | Low | 54.9 | Low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65 | 154.8 | 168.3 | -61.6 | -158.6 | 137.8 | 0 | 0 | 111.1 | R89 | R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 3.1Å |
| 92 | K | 64.3 | Low | 57 | Low | 206 Ų | 206 | 125.3 Ų | 125.3 | 90% | 0.896 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -78 | 127.9 | 176.5 | -62.7 | 174.7 | -176 | 172.8 | 0 | 108.2 | G94 | K92-G94 PolarHBondContact O-N 3.01Š|
| 93 | C | 70.6 | Confident | 59 | Low | 69 Ų | 69 | 120.6 Ų | 120.6 | 47% | 0.466 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 129.1 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 112 | C116 | C93-C116 VanDerWaalsContact CA-SG 3.55Å; C93-C116 HydrophobicContact CB-CB 3.63Å; C93-C116 WeakPolarHBondContact CB-SG 3.19Å; C93-C116 WeakPolarHBondContact SG-CA 3.39Å; C93-C116 WeakPolarHBondContact SG-CB 3.47Å; C93-C116 CovalentContact SG-SG 2.04Å; C93-C116 PolarHBondContact SG-SG 2.88Å |
| 94 | G | 69.6 | Low | 60.8 | Low | 60 Ų | 60 | 122.6 Ų | 122.6 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 152.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | K92 R96 | K92-G94 PolarHBondContact O-N 3.01Å; G94-R96 PolarHBondContact O-N 3.46Å |
| 95 | S | 69.4 | Low | 63.1 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -75.4 | -10.1 | 178.3 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 96 | R | 69.9 | Low | 65.1 | Low | 236 Ų | 236 | 115.1 Ų | 115.1 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -133.2 | 150.6 | 165.3 | -73.6 | -176.5 | 172.7 | 175.2 | -2.5 | 108.1 | G94 | G94-R96 PolarHBondContact O-N 3.46Š|
| 97 | C | 79.2 | Confident | 67.4 | Low | 72 Ų | 72 | 106.7 Ų | 106.7 | 49% | 0.486 | 63% | 0.633 | S | S | . | * | trans | -133.5 | 146.3 | -178.1 | 103.9 | 0 | 0 | 0 | 0 | 109.5 | C118 | C97-C118 HydrophobicContact CB-CB 3.6Å; C97-C118 WeakPolarHBondContact CB-SG 3.28Å; C97-C118 VanDerWaalsContact SG-CA 3.57Å; C97-C118 WeakPolarHBondContact SG-CB 3.26Å; C97-C118 CovalentContact SG-SG 2.03Å; C97-C118 PolarHBondContact SG-SG 3.3Å | ||
| 98 | D | 80.4 | Confident | 68.7 | Low | 79 Ų | 79 | 103.4 Ų | 103.4 | 42% | 0.422 | 60% | 0.603 | S | S | . | * | trans | -102.4 | 113.4 | 175.7 | 169.8 | 35.7 | 0 | 0 | 0 | 110 | S100 S101 | D98-S100 VanDerWaalsContact C-N 3.31Å; D98-S100 VanDerWaalsContact CG-OG 3.23Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 2.94Å; D98-S100 PolarHBondContact OD1-OG 3.43Å; D98-S100 PolarHBondContact OD2-OG 3.08Å; D98-S101 VanDerWaalsContact OD2-CB 3.23Å; D98-S101 WeakPolarHBondContact OD2-CB 3.25Å; D98-S101 PolarHBondContact OD2-N 3.33Å; D98-S101 VanDerWaalsContact OD2-N 3.11Å; D98-S101 PolarHBondContact OD2-OG 2.7Å | ||
| 99 | V | 79.4 | Confident | 70.3 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -76.9 | -20.2 | 179.5 | -173 | 0 | 0 | 0 | 0 | 111.6 | S101 C102 | V99-S101 VanDerWaalsContact C-N 3.35Å; V99-C102 VanDerWaalsContact O-CB 3.31Å; V99-C102 WeakPolarHBondContact O-CB 3.48Å; V99-C102 PolarHBondContact O-N 2.98Å |
| 100 | S | 79.2 | Confident | 72.1 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 76% | 0.755 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.2 | -179.9 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | D98 C102 | D98-S100 VanDerWaalsContact C-N 3.31Å; D98-S100 VanDerWaalsContact CG-OG 3.23Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 2.94Å; D98-S100 PolarHBondContact OD1-OG 3.43Å; D98-S100 PolarHBondContact OD2-OG 3.08Å; S100-C102 VanDerWaalsContact C-N 3.29Å; S100-C102 PolarHBondContact O-N 2.67Å |
| 101 | S | 80.5 | Confident | 74 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 67% | 0.671 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -1.1 | 172.1 | -64 | 0 | 0 | 0 | 0 | 114.5 | D98 V99 | D98-S101 VanDerWaalsContact OD2-CB 3.23Å; D98-S101 WeakPolarHBondContact OD2-CB 3.25Å; D98-S101 PolarHBondContact OD2-N 3.33Å; D98-S101 VanDerWaalsContact OD2-N 3.11Å; D98-S101 PolarHBondContact OD2-OG 2.7Å; V99-S101 VanDerWaalsContact C-N 3.35Å |
| 102 | C | 82.1 | Confident | 75.7 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 16% | 0.155 | 48% | 0.482 | C | S | . | . | trans | -70.6 | 133.6 | -176.5 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | V99 S100 C119 | V99-C102 VanDerWaalsContact O-CB 3.31Å; V99-C102 WeakPolarHBondContact O-CB 3.48Å; V99-C102 PolarHBondContact O-N 2.98Å; S100-C102 VanDerWaalsContact C-N 3.29Å; S100-C102 PolarHBondContact O-N 2.67Å; C102-C119 VanDerWaalsContact CA-SG 3.5Å; C102-C119 HydrophobicContact CB-CB 3.71Å; C102-C119 WeakPolarHBondContact CB-SG 3.27Å; C102-C119 WeakPolarHBondContact SG-CA 3.37Å; C102-C119 WeakPolarHBondContact SG-CB 3.44Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3Å | ||
| 103 | P | 77.6 | Confident | 76.6 | Confident | 88 Ų | 88 | 74 Ų | 74 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | trans | -64.9 | 144 | 171.2 | 29.3 | -34.8 | 0 | 0 | 0 | 110.2 | P105 | P103-P105 WeakPolarHBondContact O-CD 3.35Š| ||
| 104 | S | 72.6 | Confident | 77.2 | Confident | 122 Ų | 122 | 72.6 Ų | 72.6 | 85% | 0.853 | 45% | 0.447 | S | S | * | . | trans | -108.9 | 67.7 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | P | 77.8 | Confident | 77.6 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 31% | 0.305 | 44% | 0.444 | S | S | . | . | trans | -70.7 | 140 | -178.2 | 29.9 | -35.1 | 0 | 0 | 0 | 111.7 | P103 C107 Y111 | P103-P105 WeakPolarHBondContact O-CD 3.35Å; P105-C107 PolarHBondContact O-N 3.2Å; P105-C107 PolarHBondContact O-SG 3.02Å; P105-Y111 VanDerWaalsContact O-CE1 3.28Å; P105-Y111 WeakPolarHBondContact O-CE1 3.45Å; P105-Y111 PolarHBondContact O-OH 3.1Å; P105-Y111 VanDerWaalsContact O-OH 3.1Å | ||
| 106 | S | 77.6 | Confident | 78.2 | Confident | 89 Ų | 89 | 73 Ų | 73 | 62% | 0.622 | 42% | 0.424 | S | S | * | . | trans | -74.5 | 107.9 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | P108 Q194 | S106-P108 VanDerWaalsContact O-CD 3.27Å; S106-P108 WeakPolarHBondContact O-CD 3.4Å; S106-Q194 PolarHBondContact OG-NE2 2.93Å | ||
| 107 | C | 79.1 | Confident | 78.6 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.027 | 41% | 0.408 | C | S | . | . | trans | -111.9 | 93.7 | -172.9 | -58.6 | 0 | 0 | 0 | 0 | 113 | P105 G109 G110 Y111 C122 | P105-C107 PolarHBondContact O-N 3.2Å; P105-C107 PolarHBondContact O-SG 3.02Å; C107-G109 PolarHBondContact O-N 3.42Å; C107-G109 VanDerWaalsContact O-N 3.07Å; C107-G110 VanDerWaalsContact CB-O 3.29Å; C107-G110 WeakPolarHBondContact CB-O 3.43Å; C107-G110 PolarHBondContact O-N 3.19Å; C107-G110 VanDerWaalsContact O-N 3.08Å; C107-Y111 HydrophobicContact CB-CD1 3.96Å; C107-Y111 HydrophobicContact CB-CE1 3.58Å; C107-Y111 HydrophobicContact CB-CE2 4.49Å; C107-Y111 PolarHBondContact N-OH 2.93Å; C107-Y111 WeakPolarHBondContact SG-CE1 3.23Å; C107-C122 HydrophobicContact CB-CB 3.77Å; C107-C122 WeakPolarHBondContact CB-SG 3.33Å; C107-C122 WeakPolarHBondContact SG-CA 3.47Å; C107-C122 WeakPolarHBondContact SG-CB 3.42Å; C107-C122 PolarHBondContact SG-N 3.29Å; C107-C122 CovalentContact SG-SG 2.04Å; C107-C122 PolarHBondContact SG-SG 3.23Å | ||
| 108 | P | 65.6 | Low | 78.8 | Confident | 29 Ų | 29 | 62 Ų | 62 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.5 | 176.7 | -13.5 | 18.7 | 0 | 0 | 0 | 114.3 | S106 G110 R190 R191 Q194 | S106-P108 VanDerWaalsContact O-CD 3.27Å; S106-P108 WeakPolarHBondContact O-CD 3.4Å; P108-G110 VanDerWaalsContact C-N 3.32Å; P108-R190 PolarHBondContact O-NE 2.92Å; P108-R191 HydrophobicContact CB-CB 4.37Å; P108-Q194 VanDerWaalsContact CG-OE1 3.28Å |
| 109 | G | 68.2 | Low | 79 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C107 S123 R190 | C107-G109 PolarHBondContact O-N 3.42Å; C107-G109 VanDerWaalsContact O-N 3.07Å; G109-S123 PolarHBondContact O-OG 3.39Å; G109-R190 PolarHBondContact O-NH2 2.98Å |
| 110 | G | 77 | Confident | 79.3 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 7% | 0.072 | 38% | 0.376 | C | S | . | . | trans | 110.4 | 178 | -157.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C107 P108 S123 | C107-G110 VanDerWaalsContact CB-O 3.29Å; C107-G110 WeakPolarHBondContact CB-O 3.43Å; C107-G110 PolarHBondContact O-N 3.19Å; C107-G110 VanDerWaalsContact O-N 3.08Å; P108-G110 VanDerWaalsContact C-N 3.32Å; G110-S123 PolarHBondContact O-N 3.04Å; G110-S123 PolarHBondContact O-OG 3.39Å | ||
| 111 | Y | 84.1 | Confident | 79.7 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 42% | 0.424 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151 | 178.6 | -61.2 | -84.9 | 0 | 0 | 0 | 110.4 | P105 C107 L120 V121 | P105-Y111 VanDerWaalsContact O-CE1 3.28Å; P105-Y111 WeakPolarHBondContact O-CE1 3.45Å; P105-Y111 PolarHBondContact O-OH 3.1Å; P105-Y111 VanDerWaalsContact O-OH 3.1Å; C107-Y111 HydrophobicContact CB-CD1 3.96Å; C107-Y111 HydrophobicContact CB-CE1 3.58Å; C107-Y111 HydrophobicContact CB-CE2 4.49Å; C107-Y111 PolarHBondContact N-OH 2.93Å; C107-Y111 WeakPolarHBondContact SG-CE1 3.23Å; Y111-L120 HydrophobicContact CD1-CB 4.15Å; Y111-L120 HydrophobicContact CG-CB 4.38Å; Y111-V121 CarbonylContact C-O 3.56Å; Y111-V121 WeakPolarHBondContact CA-O 3.26Å |
| 112 | V | 84.9 | Confident | 80 | Confident | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156.1 | 165.8 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | V121 L136 P137 | V112-V121 HydrophobicContact CG2-CG2 4.07Å; V112-V121 PolarHBondContact N-O 2.95Å; V112-V121 WeakPolarHBondContact O-CG2 3.3Å; V112-V121 PolarHBondContact O-N 3.35Å; V112-L136 HydrophobicContact CG2-CB 4.32Å; V112-L136 HydrophobicContact CG2-CD1 4.38Å; V112-P137 HydrophobicContact CB-CG 4.03Å; V112-P137 HydrophobicContact CG1-CG 4.14Å; V112-P137 HydrophobicContact CG2-CG 4.37Å |
| 113 | P | 84.4 | Confident | 80.1 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 148.2 | 168.7 | -19.8 | 32.3 | 0 | 0 | 0 | 111.2 | C119 | P113-C119 CarbonylContact C-O 3.56Å; P113-C119 WeakPolarHBondContact CA-O 3.16Å |
| 114 | D | 82.1 | Confident | 80.6 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | trans | -65.5 | -179.6 | 167.2 | 69 | 33.2 | 0 | 0 | 0 | 112.5 | C116 G117 C118 C119 V121 | D114-C116 PolarHBondContact O-N 3Å; D114-C116 VanDerWaalsContact O-N 3.15Å; D114-C116 VanDerWaalsContact OD1-C 3.32Å; D114-C116 VanDerWaalsContact OD1-CA 3.3Å; D114-C116 WeakPolarHBondContact OD1-CA 3.36Å; D114-C116 WeakPolarHBondContact OD1-CB 3.22Å; D114-C116 PolarHBondContact OD1-N 2.69Å; D114-G117 PolarHBondContact O-N 2.7Å; D114-G117 VanDerWaalsContact O-N 3.07Å; D114-G117 PolarHBondContact OD1-N 3.06Å; D114-C118 PolarHBondContact OD1-N 3.48Å; D114-C119 PolarHBondContact N-O 3Å; D114-C119 WeakPolarHBondContact OD2-CB 3.36Å; D114-C119 PolarHBondContact OD2-N 3.39Å; D114-V121 HydrophobicContact CB-CG1 4.15Å; D114-V121 HydrophobicContact CB-CG2 4.38Å | ||
| 115 | K | 78.4 | Confident | 81.2 | Confident | 128 Ų | 128 | 50.8 Ų | 50.8 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.6 | -179.2 | -68.2 | -176 | 177.7 | 179.8 | 0 | 114.8 | N134 L136 | K115-N134 WeakPolarHBondContact CE-O 3.32Å; K115-N134 PolarHBondContact NZ-O 2.6Å; K115-N134 PolarHBondContact NZ-OD1 3.11Å; K115-L136 HydrophobicContact CG-CD2 4.36Å |
| 116 | C | 81.4 | Confident | 81.5 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -2.2 | 179.2 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | C93 D114 C118 | C93-C116 VanDerWaalsContact CA-SG 3.55Å; C93-C116 HydrophobicContact CB-CB 3.63Å; C93-C116 WeakPolarHBondContact CB-SG 3.19Å; C93-C116 WeakPolarHBondContact SG-CA 3.39Å; C93-C116 WeakPolarHBondContact SG-CB 3.47Å; C93-C116 CovalentContact SG-SG 2.04Å; C93-C116 PolarHBondContact SG-SG 2.88Å; D114-C116 PolarHBondContact O-N 3Å; D114-C116 VanDerWaalsContact O-N 3.15Å; D114-C116 VanDerWaalsContact OD1-C 3.32Å; D114-C116 VanDerWaalsContact OD1-CA 3.3Å; D114-C116 WeakPolarHBondContact OD1-CA 3.36Å; D114-C116 WeakPolarHBondContact OD1-CB 3.22Å; D114-C116 PolarHBondContact OD1-N 2.69Å; C116-C118 VanDerWaalsContact C-N 3.29Å |
| 117 | G | 79.8 | Confident | 81.7 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 73.6 | 15.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D114 | D114-G117 PolarHBondContact O-N 2.7Å; D114-G117 VanDerWaalsContact O-N 3.07Å; D114-G117 PolarHBondContact OD1-N 3.06Å |
| 118 | C | 83.3 | Confident | 82.1 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | trans | -94.5 | -69.1 | -171 | -170.1 | 0 | 0 | 0 | 0 | 113.3 | C97 D114 C116 | C97-C118 HydrophobicContact CB-CB 3.6Å; C97-C118 WeakPolarHBondContact CB-SG 3.28Å; C97-C118 VanDerWaalsContact SG-CA 3.57Å; C97-C118 WeakPolarHBondContact SG-CB 3.26Å; C97-C118 CovalentContact SG-SG 2.03Å; C97-C118 PolarHBondContact SG-SG 3.3Å; D114-C118 PolarHBondContact OD1-N 3.48Å; C116-C118 VanDerWaalsContact C-N 3.29Å | ||
| 119 | C | 84.6 | Confident | 83 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -91.4 | 150.6 | -176.2 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | C102 P113 D114 | C102-C119 VanDerWaalsContact CA-SG 3.5Å; C102-C119 HydrophobicContact CB-CB 3.71Å; C102-C119 WeakPolarHBondContact CB-SG 3.27Å; C102-C119 WeakPolarHBondContact SG-CA 3.37Å; C102-C119 WeakPolarHBondContact SG-CB 3.44Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3Å; P113-C119 CarbonylContact C-O 3.56Å; P113-C119 WeakPolarHBondContact CA-O 3.16Å; D114-C119 PolarHBondContact N-O 3Å; D114-C119 WeakPolarHBondContact OD2-CB 3.36Å; D114-C119 PolarHBondContact OD2-N 3.39Å |
| 120 | L | 86.1 | Confident | 83.9 | Confident | 100 Ų | 100 | 54 Ų | 54 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.5 | 170.7 | -70.6 | 179.4 | 0 | 0 | 0 | 110 | Y111 | Y111-L120 HydrophobicContact CD1-CB 4.15Å; Y111-L120 HydrophobicContact CG-CB 4.38Å |
| 121 | V | 86.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 161 | 177.6 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | Y111 V112 D114 S123 L136 | Y111-V121 CarbonylContact C-O 3.56Å; Y111-V121 WeakPolarHBondContact CA-O 3.26Å; V112-V121 HydrophobicContact CG2-CG2 4.07Å; V112-V121 PolarHBondContact N-O 2.95Å; V112-V121 WeakPolarHBondContact O-CG2 3.3Å; V112-V121 PolarHBondContact O-N 3.35Å; D114-V121 HydrophobicContact CB-CG1 4.15Å; D114-V121 HydrophobicContact CB-CG2 4.38Å; V121-S123 PolarHBondContact O-N 2.99Å; V121-L136 HydrophobicContact CG2-CD1 3.74Å; V121-L136 HydrophobicContact CG2-CD2 4.34Å |
| 122 | C | 85.9 | Confident | 83.7 | Confident | 52 Ų | 52 | 56 Ų | 56 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 128.5 | 178.4 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | C107 | C107-C122 HydrophobicContact CB-CB 3.77Å; C107-C122 WeakPolarHBondContact CB-SG 3.33Å; C107-C122 WeakPolarHBondContact SG-CA 3.47Å; C107-C122 WeakPolarHBondContact SG-CB 3.42Å; C107-C122 PolarHBondContact SG-N 3.29Å; C107-C122 CovalentContact SG-SG 2.04Å; C107-C122 PolarHBondContact SG-SG 3.23Å |
| 123 | S | 85.5 | Confident | 83.2 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 136 | 177.8 | 68 | 0 | 0 | 0 | 0 | 112 | G109 G110 V121 R125 | G109-S123 PolarHBondContact O-OG 3.39Å; G110-S123 PolarHBondContact O-N 3.04Å; G110-S123 PolarHBondContact O-OG 3.39Å; V121-S123 PolarHBondContact O-N 2.99Å; S123-R125 PolarHBondContact O-N 3.45Å |
| 124 | P | 86.6 | Confident | 82.9 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 135.3 | 162.5 | -26.7 | 33.2 | 0 | 0 | 0 | 111.9 | D128 L136 P137 G139 L142 | P124-D128 HydrophobicContact CB-CB 3.97Å; P124-L136 HydrophobicContact CG-CB 3.62Å; P124-P137 VanDerWaalsContact CD-O 3.24Å; P124-P137 WeakPolarHBondContact CD-O 3.46Å; P124-P137 WeakPolarHBondContact CG-O 3.45Å; P124-G139 PolarHBondContact O-N 2.62Å; P124-L142 WeakPolarHBondContact O-CD1 3.37Å |
| 125 | R | 85.2 | Confident | 82.8 | Confident | 145 Ų | 145 | 67.8 Ų | 67.8 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -94 | 174 | -176.3 | -56.4 | -179.4 | -176.3 | 177 | 4.7 | 110.6 | S123 G127 D128 C163 | S123-R125 PolarHBondContact O-N 3.45Å; R125-G127 PolarHBondContact O-N 2.92Å; R125-D128 WeakPolarHBondContact CB-OD2 3.35Å; R125-D128 PolarHBondContact N-OD2 3.13Å; R125-D128 WeakPolarHBondContact O-CB 3.05Å; R125-D128 PolarHBondContact O-N 3.44Å; R125-D128 VanDerWaalsContact O-N 3.11Å; R125-C163 VanDerWaalsContact O-CB 3.29Å; R125-C163 WeakPolarHBondContact O-CB 3.49Å |
| 126 | E | 84.9 | Confident | 83.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 127 | 170.8 | -176.6 | 160.7 | -107.1 | 0 | 0 | 111 | L142 C163 C165 N181 K184 | E126-L142 HydrophobicContact CB-CD2 3.9Å; E126-C163 CarbonylContact C-O 3.47Å; E126-C163 WeakPolarHBondContact CA-O 3.31Å; E126-C165 WeakPolarHBondContact OE1-CB 3.48Å; E126-C165 PolarHBondContact OE1-N 2.81Å; E126-N181 VanDerWaalsContact CD-ND2 3.28Å; E126-N181 PolarHBondContact OE1-ND2 3.47Å; E126-N181 PolarHBondContact OE2-ND2 2.92Å; E126-K184 VanDerWaalsContact OE2-CE 3.3Å; E126-K184 WeakPolarHBondContact OE2-CE 3.35Å; E126-K184 IonicContact OE2-NZ 2.76Å; E126-K184 PolarHBondContact OE2-NZ 2.98Å |
| 127 | G | 82.3 | Confident | 83.3 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -19.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | R125 C163 | R125-G127 PolarHBondContact O-N 2.92Å; G127-C163 PolarHBondContact N-O 3.39Å |
| 128 | D | 86.6 | Confident | 83.6 | Confident | 66 Ų | 66 | 63 Ų | 63 | 35% | 0.353 | 35% | 0.349 | S | S | . | . | trans | -69.4 | 148.8 | -179.4 | -72.6 | -20.4 | 0 | 0 | 0 | 111.8 | P124 R125 V162 C163 | P124-D128 HydrophobicContact CB-CB 3.97Å; R125-D128 WeakPolarHBondContact CB-OD2 3.35Å; R125-D128 PolarHBondContact N-OD2 3.13Å; R125-D128 WeakPolarHBondContact O-CB 3.05Å; R125-D128 PolarHBondContact O-N 3.44Å; R125-D128 VanDerWaalsContact O-N 3.11Å; D128-V162 WeakPolarHBondContact O-CA 3.42Å; D128-C163 PolarHBondContact O-N 2.76Å | ||
| 129 | P | 85.3 | Confident | 83.5 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 143.4 | -177.8 | 29 | -35.7 | 0 | 0 | 0 | 112.3 | ||
| 130 | C | 85.9 | Confident | 83.2 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 169.1 | 178.8 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | D135 C144 G161 V162 | C130-D135 VanDerWaalsContact CA-OD2 3.27Å; C130-D135 WeakPolarHBondContact CA-OD2 3.45Å; C130-C144 HydrophobicContact CB-CB 3.9Å; C130-C144 WeakPolarHBondContact CB-SG 3.04Å; C130-C144 WeakPolarHBondContact SG-CA 3.29Å; C130-C144 WeakPolarHBondContact SG-CB 3.17Å; C130-C144 CovalentContact SG-SG 2.03Å; C130-C144 PolarHBondContact SG-SG 2.88Å; C130-G161 PolarHBondContact N-O 2.89Å; C130-G161 CarbonylContact O-C 3.6Å; C130-G161 WeakPolarHBondContact O-CA 3.35Å; C130-G161 PolarHBondContact O-N 3.32Å; C130-V162 PolarHBondContact SG-N 2.83Å; C130-V162 VanDerWaalsContact SG-N 3.43Å |
| 131 | G | 77.4 | Confident | 83 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 90.4 | -5.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D135 | G131-D135 PolarHBondContact N-OD2 3Š|
| 132 | R | 80.6 | Confident | 83 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 39% | 0.389 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -83.8 | 156.5 | 166.2 | -50.1 | 169.8 | -173.4 | 171.4 | 7.4 | 109.9 | N134 D135 | R132-N134 PolarHBondContact O-N 2.78Å; R132-D135 WeakPolarHBondContact CB-OD2 2.93Å; R132-D135 WeakPolarHBondContact CG-OD2 2.97Å; R132-D135 PolarHBondContact N-OD2 3.45Å; R132-D135 PolarHBondContact O-N 3.14Å; R132-D135 VanDerWaalsContact O-N 3.07Å |
| 133 | K | 74.5 | Confident | 83.1 | Confident | 219 Ų | 219 | 63.3 Ų | 63.3 | 95% | 0.952 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -13.3 | 173.5 | -171.8 | 174.6 | 179.7 | -179.5 | 0 | 114.8 | ||
| 134 | N | 76.8 | Confident | 83.2 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 2.3 | -175.9 | -102.8 | -33.3 | 0 | 0 | 0 | 114.2 | K115 R132 | K115-N134 WeakPolarHBondContact CE-O 3.32Å; K115-N134 PolarHBondContact NZ-O 2.6Å; K115-N134 PolarHBondContact NZ-OD1 3.11Å; R132-N134 PolarHBondContact O-N 2.78Å |
| 135 | D | 81.9 | Confident | 83.3 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -93.3 | 153.8 | 179.3 | -51 | -22.8 | 0 | 0 | 0 | 110 | C130 G131 R132 | C130-D135 VanDerWaalsContact CA-OD2 3.27Å; C130-D135 WeakPolarHBondContact CA-OD2 3.45Å; G131-D135 PolarHBondContact N-OD2 3Å; R132-D135 WeakPolarHBondContact CB-OD2 2.93Å; R132-D135 WeakPolarHBondContact CG-OD2 2.97Å; R132-D135 PolarHBondContact N-OD2 3.45Å; R132-D135 PolarHBondContact O-N 3.14Å; R132-D135 VanDerWaalsContact O-N 3.07Å |
| 136 | L | 83.9 | Confident | 83.1 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -81 | 155.3 | 174.3 | -70.1 | 172.5 | 0 | 0 | 0 | 110.9 | V112 K115 V121 P124 | V112-L136 HydrophobicContact CG2-CB 4.32Å; V112-L136 HydrophobicContact CG2-CD1 4.38Å; K115-L136 HydrophobicContact CG-CD2 4.36Å; V121-L136 HydrophobicContact CG2-CD1 3.74Å; V121-L136 HydrophobicContact CG2-CD2 4.34Å; P124-L136 HydrophobicContact CG-CB 3.62Å |
| 137 | P | 84.4 | Confident | 82.3 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 145.7 | 173 | 28.3 | -34.6 | 0 | 0 | 0 | 111.1 | V112 P124 | V112-P137 HydrophobicContact CB-CG 4.03Å; V112-P137 HydrophobicContact CG1-CG 4.14Å; V112-P137 HydrophobicContact CG2-CG 4.37Å; P124-P137 VanDerWaalsContact CD-O 3.24Å; P124-P137 WeakPolarHBondContact CD-O 3.46Å; P124-P137 WeakPolarHBondContact CG-O 3.45Å |
| 138 | C | 86.8 | Confident | 80.9 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 146.4 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | L142 C163 | C138-L142 HydrophobicContact CB-CB 3.68Å; C138-L142 HydrophobicContact CB-CD1 4.48Å; C138-C163 HydrophobicContact CB-CB 3.77Å; C138-C163 WeakPolarHBondContact CB-SG 3.1Å; C138-C163 VanDerWaalsContact SG-CA 3.53Å; C138-C163 WeakPolarHBondContact SG-CB 3.48Å; C138-C163 CovalentContact SG-SG 2.04Å; C138-C163 PolarHBondContact SG-SG 2.87Å |
| 139 | G | 80.9 | Confident | 79.3 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | trans | -70.1 | 176 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P124 G141 L142 | P124-G139 PolarHBondContact O-N 2.62Å; G139-G141 PolarHBondContact O-N 3.4Å; G139-L142 VanDerWaalsContact O-CB 3.27Å; G139-L142 WeakPolarHBondContact O-CB 3.28Å; G139-L142 PolarHBondContact O-N 2.91Å | ||
| 140 | D | 79.7 | Confident | 77.5 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 61% | 0.61 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 118.1 | -172.7 | -73.8 | -41.1 | 0 | 0 | 0 | 114.9 | L142 | D140-L142 VanDerWaalsContact C-N 3.34Š|
| 141 | G | 80.2 | Confident | 75.8 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -6.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G139 K166 C183 | G139-G141 PolarHBondContact O-N 3.4Å; G141-K166 WeakPolarHBondContact O-CB 3.36Å; G141-K166 WeakPolarHBondContact O-CG 3.45Å; G141-K166 PolarHBondContact O-N 2.9Å; G141-C183 PolarHBondContact O-SG 2.73Å |
| 142 | L | 87.3 | Confident | 74.4 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.099 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 162.7 | 171.6 | -56.9 | 171.3 | 0 | 0 | 0 | 111.1 | P124 E126 C138 G139 D140 C163 R164 C165 K166 C183 | P124-L142 WeakPolarHBondContact O-CD1 3.37Å; E126-L142 HydrophobicContact CB-CD2 3.9Å; C138-L142 HydrophobicContact CB-CB 3.68Å; C138-L142 HydrophobicContact CB-CD1 4.48Å; G139-L142 VanDerWaalsContact O-CB 3.27Å; G139-L142 WeakPolarHBondContact O-CB 3.28Å; G139-L142 PolarHBondContact O-N 2.91Å; D140-L142 VanDerWaalsContact C-N 3.34Å; L142-C163 HydrophobicContact CB-CB 4.46Å; L142-C163 HydrophobicContact CD1-CB 4.25Å; L142-R164 CarbonylContact C-O 3.55Å; L142-R164 VanDerWaalsContact CA-O 3.28Å; L142-R164 WeakPolarHBondContact CA-O 3.46Å; L142-C165 HydrophobicContact CD2-CB 4.46Å; L142-K166 WeakPolarHBondContact O-CE 3.47Å; L142-C183 HydrophobicContact CD2-CB 3.93Å |
| 143 | E | 88.6 | Confident | 72.8 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.9 | 169.9 | 59.9 | -171.2 | 170.7 | 0 | 0 | 110.6 | K145 C163 R164 K166 | E143-K145 HydrophobicContact CG-CG 4.35Å; E143-K145 PolarHBondContact O-N 3.46Å; E143-K145 WeakPolarHBondContact OE1-CE 3.48Å; E143-K145 IonicContact OE1-NZ 4Å; E143-K145 PolarHBondContact OE1-NZ 3.45Å; E143-C163 WeakPolarHBondContact O-CA 3.23Å; E143-R164 PolarHBondContact N-O 3.04Å; E143-R164 PolarHBondContact O-N 2.79Å; E143-K166 HydrophobicContact CB-CG 3.88Å; E143-K166 HydrophobicContact CG-CG 3.77Å |
| 144 | C | 88.6 | Confident | 71.6 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 108.7 | -179.8 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | C130 | C130-C144 HydrophobicContact CB-CB 3.9Å; C130-C144 WeakPolarHBondContact CB-SG 3.04Å; C130-C144 WeakPolarHBondContact SG-CA 3.29Å; C130-C144 WeakPolarHBondContact SG-CB 3.17Å; C130-C144 CovalentContact SG-SG 2.03Å; C130-C144 PolarHBondContact SG-SG 2.88Å |
| 145 | K | 87.4 | Confident | 70.1 | Confident | 78 Ų | 78 | 84.3 Ų | 84.3 | 34% | 0.339 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.9 | 175.9 | -76.3 | 177.8 | 175.9 | 151.3 | 0 | 110 | E143 G161 V162 R164 | E143-K145 HydrophobicContact CG-CG 4.35Å; E143-K145 PolarHBondContact O-N 3.46Å; E143-K145 WeakPolarHBondContact OE1-CE 3.48Å; E143-K145 IonicContact OE1-NZ 4Å; E143-K145 PolarHBondContact OE1-NZ 3.45Å; K145-G161 VanDerWaalsContact O-CA 3.31Å; K145-G161 WeakPolarHBondContact O-CA 3.01Å; K145-V162 PolarHBondContact N-O 3.23Å; K145-V162 PolarHBondContact O-N 2.93Å; K145-R164 HydrophobicContact CD-CB 4.25Å |
| 146 | T | 82.1 | Confident | 68.5 | Low | 83 Ų | 83 | 95 Ų | 95 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 131.8 | 171.5 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | S148 | T146-S148 PolarHBondContact O-N 2.96Å |
| 147 | L | 66.5 | Low | 66.7 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | trans | -69.4 | 113.6 | 169.9 | -65.5 | 169.8 | 0 | 0 | 0 | 109.2 | R160 V162 | L147-R160 PolarHBondContact N-O 2.03Å; L147-V162 HydrophobicContact CD2-CG2 4.26Å; L147-V162 HydrophobicContact CG-CG2 4.49Å | ||
| 148 | S | 52.9 | Low | 65.2 | Low | 89 Ų | 89 | 95.6 Ų | 95.6 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | trans | -61.4 | 158.2 | 172.6 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | T146 S150 | T146-S148 PolarHBondContact O-N 2.96Å; S148-S150 PolarHBondContact O-N 3.47Å | ||
| 149 | A | 52.7 | Low | 63.7 | Low | 101 Ų | 101 | 98.2 Ų | 98.2 | 84% | 0.835 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 22.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 150 | S | 48 | Very low | 63.2 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 64% | 0.643 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -47.1 | 176.4 | 40.9 | 0 | 0 | 0 | 0 | 112.8 | S148 | S148-S150 PolarHBondContact O-N 3.47Š|
| 151 | D | 50.9 | Low | 63.3 | Low | 145 Ų | 145 | 100.4 Ų | 100.4 | 78% | 0.775 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -104 | 0.1 | -164.8 | -54.2 | -75.3 | 0 | 0 | 0 | 113.7 | ||
| 152 | A | 47.3 | Very low | 63.7 | Low | 72 Ų | 72 | 100.2 Ų | 100.2 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -108.1 | 99.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | K154 | A152-K154 PolarHBondContact O-N 3.24Š|
| 153 | G | 48.2 | Very low | 63.8 | Low | 73 Ų | 73 | 99.3 Ų | 99.3 | 75% | 0.753 | 56% | 0.555 | S | S | * | * | trans | -52 | 129.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R155 | G153-R155 PolarHBondContact O-N 2.73Š| ||
| 154 | K | 48.4 | Very low | 63.8 | Low | 215 Ų | 215 | 101.1 Ų | 101.1 | 94% | 0.935 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -41.7 | 99 | -166.8 | -72.2 | 178.4 | 176.6 | 174.2 | 0 | 114.9 | A152 | A152-K154 PolarHBondContact O-N 3.24Š|
| 155 | R | 46.1 | Very low | 63.8 | Low | 244 Ų | 244 | 98.4 Ų | 98.4 | 92% | 0.921 | 54% | 0.541 | S | S | * | . | trans | -136.6 | 120.4 | 155.1 | -69.7 | -168.4 | 175.4 | -177.1 | -1 | 109.7 | G153 G157 | G153-R155 PolarHBondContact O-N 2.73Å; R155-G157 PolarHBondContact O-N 3.07Å | ||
| 156 | R | 47.4 | Very low | 63.9 | Low | 264 Ų | 264 | 100.9 Ų | 100.9 | 100% | 0.996 | 55% | 0.552 | S | S | * | * | trans | -66.6 | 125.2 | 177 | -77.5 | 175 | 163.2 | 166.1 | -7.5 | 109.7 | ||||
| 157 | G | 47.3 | Very low | 64 | Low | 62 Ų | 62 | 101.8 Ų | 101.8 | 64% | 0.639 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 151.6 | 100.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115 | R155 | R155-G157 PolarHBondContact O-N 3.07Š|
| 158 | S | 52.7 | Low | 64.8 | Low | 78 Ų | 78 | 102.4 Ų | 102.4 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | trans | 61.6 | 124.8 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 116 | R160 | S158-R160 PolarHBondContact O-N 2.04Š| ||
| 159 | S | 54.8 | Low | 66.2 | Low | 81 Ų | 81 | 101.3 Ų | 101.3 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | trans | -59.9 | 106.2 | 170.1 | 29.7 | 0 | 0 | 0 | 0 | 110.3 | G161 | S159-G161 PolarHBondContact O-N 3.32Š| ||
| 160 | R | 69.6 | Low | 67.9 | Low | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | trans | -76.4 | 106.4 | 177.3 | -64.4 | -177.1 | 176.4 | -165.8 | -2 | 109.1 | L147 S158 | L147-R160 PolarHBondContact N-O 2.03Å; S158-R160 PolarHBondContact O-N 2.04Å | ||
| 161 | G | 82.6 | Confident | 69.9 | Low | 2 Ų | 2 | 96.6 Ų | 96.6 | 2% | 0.021 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 155.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | C130 K145 S159 | C130-G161 PolarHBondContact N-O 2.89Å; C130-G161 CarbonylContact O-C 3.6Å; C130-G161 WeakPolarHBondContact O-CA 3.35Å; C130-G161 PolarHBondContact O-N 3.32Å; K145-G161 VanDerWaalsContact O-CA 3.31Å; K145-G161 WeakPolarHBondContact O-CA 3.01Å; S159-G161 PolarHBondContact O-N 3.32Å |
| 162 | V | 89.3 | Confident | 71.8 | Confident | 31 Ų | 31 | 90 Ų | 90 | 19% | 0.188 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.4 | 163.6 | -70.5 | 0 | 0 | 0 | 0 | 109.5 | D128 C130 K145 L147 R164 | D128-V162 WeakPolarHBondContact O-CA 3.42Å; C130-V162 PolarHBondContact SG-N 2.83Å; C130-V162 VanDerWaalsContact SG-N 3.43Å; K145-V162 PolarHBondContact N-O 3.23Å; K145-V162 PolarHBondContact O-N 2.93Å; L147-V162 HydrophobicContact CD2-CG2 4.26Å; L147-V162 HydrophobicContact CG-CG2 4.49Å; V162-R164 HydrophobicContact CG2-CG 4.28Å; V162-R164 PolarHBondContact O-N 2.81Å |
| 163 | C | 88.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 125.1 | 174.6 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | R125 E126 G127 D128 C138 L142 E143 | R125-C163 VanDerWaalsContact O-CB 3.29Å; R125-C163 WeakPolarHBondContact O-CB 3.49Å; E126-C163 CarbonylContact C-O 3.47Å; E126-C163 WeakPolarHBondContact CA-O 3.31Å; G127-C163 PolarHBondContact N-O 3.39Å; D128-C163 PolarHBondContact O-N 2.76Å; C138-C163 HydrophobicContact CB-CB 3.77Å; C138-C163 WeakPolarHBondContact CB-SG 3.1Å; C138-C163 VanDerWaalsContact SG-CA 3.53Å; C138-C163 WeakPolarHBondContact SG-CB 3.48Å; C138-C163 CovalentContact SG-SG 2.04Å; C138-C163 PolarHBondContact SG-SG 2.87Å; L142-C163 HydrophobicContact CB-CB 4.46Å; L142-C163 HydrophobicContact CD1-CB 4.25Å; E143-C163 WeakPolarHBondContact O-CA 3.23Å |
| 164 | R | 89.4 | Confident | 75.5 | Confident | 106 Ų | 106 | 87.1 Ų | 87.1 | 40% | 0.4 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.5 | 175.5 | -66 | -170.1 | -177.4 | -172.2 | 2.1 | 110.5 | L142 E143 K145 V162 | L142-R164 CarbonylContact C-O 3.55Å; L142-R164 VanDerWaalsContact CA-O 3.28Å; L142-R164 WeakPolarHBondContact CA-O 3.46Å; E143-R164 PolarHBondContact N-O 3.04Å; E143-R164 PolarHBondContact O-N 2.79Å; K145-R164 HydrophobicContact CD-CB 4.25Å; V162-R164 HydrophobicContact CG2-CG 4.28Å; V162-R164 PolarHBondContact O-N 2.81Å |
| 165 | C | 88.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 138.8 | 175.7 | -158.4 | 0 | 0 | 0 | 0 | 112.1 | E126 L142 Q167 N181 C183 | E126-C165 WeakPolarHBondContact OE1-CB 3.48Å; E126-C165 PolarHBondContact OE1-N 2.81Å; L142-C165 HydrophobicContact CD2-CB 4.46Å; C165-Q167 PolarHBondContact O-N 3.18Å; C165-N181 HydrophobicContact CB-CB 4.05Å; C165-C183 WeakPolarHBondContact CA-SG 3.06Å; C165-C183 HydrophobicContact CB-CB 3.72Å; C165-C183 WeakPolarHBondContact CB-SG 3.46Å; C165-C183 WeakPolarHBondContact SG-CB 3.48Å; C165-C183 PolarHBondContact SG-N 3.28Å; C165-C183 CovalentContact SG-SG 2.04Å; C165-C183 PolarHBondContact SG-SG 3.25Å |
| 166 | K | 88.7 | Confident | 78.9 | Confident | 129 Ų | 129 | 70.6 Ų | 70.6 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -64.5 | -22.4 | 169.5 | -72.5 | -179.1 | 172.7 | -176.2 | 0 | 112.7 | G141 L142 E143 | G141-K166 WeakPolarHBondContact O-CB 3.36Å; G141-K166 WeakPolarHBondContact O-CG 3.45Å; G141-K166 PolarHBondContact O-N 2.9Å; L142-K166 WeakPolarHBondContact O-CE 3.47Å; E143-K166 HydrophobicContact CB-CG 3.88Å; E143-K166 HydrophobicContact CG-CG 3.77Å |
| 167 | Q | 84.3 | Confident | 80.8 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -125.3 | 70.1 | -176.2 | -70.6 | -178.3 | -6 | 0 | 0 | 109.4 | C165 H169 N181 V182 | C165-Q167 PolarHBondContact O-N 3.18Å; Q167-H169 VanDerWaalsContact C-N 3.26Å; Q167-H169 PolarHBondContact O-N 3.41Å; Q167-N181 WeakPolarHBondContact O-CB 3.37Å; Q167-V182 HydrophobicContact CB-CB 4.33Å; Q167-V182 HydrophobicContact CB-CG2 4.15Å |
| 168 | D | 82 | Confident | 82.8 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | trans | -83.4 | 67.4 | -176 | -148.3 | 26.3 | 0 | 0 | 0 | 111.1 | N181 | D168-N181 PolarHBondContact OD1-ND2 3.45Š| ||
| 169 | H | 84.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -140.6 | 146.7 | 173.4 | 64.8 | -81.2 | 0 | 0 | 0 | 109.4 | Q167 G180 N181 | Q167-H169 VanDerWaalsContact C-N 3.26Å; Q167-H169 PolarHBondContact O-N 3.41Å; H169-G180 CarbonylContact C-O 3.47Å; H169-N181 WeakPolarHBondContact O-CA 3.28Å |
| 170 | E | 88.1 | Confident | 86.1 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | trans | -60 | 145.5 | 179.5 | -57.5 | -160.7 | 111.7 | 0 | 0 | 112.1 | T178 Y179 G206 | E170-T178 HydrophobicContact CB-CG2 4.32Å; E170-T178 WeakPolarHBondContact OE1-CG2 3.35Å; E170-Y179 WeakPolarHBondContact CA-O 3.42Å; E170-G206 VanDerWaalsContact O-CA 3.28Å; E170-G206 WeakPolarHBondContact O-CA 3.33Å; E170-G206 PolarHBondContact O-N 3Å | ||
| 171 | V | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | Y179 V182 L185 Q202 G206 | V171-Y179 PolarHBondContact N-O 3.07Å; V171-Y179 PolarHBondContact O-N 2.89Å; V171-V182 HydrophobicContact CG1-CG2 3.65Å; V171-V182 HydrophobicContact CG2-CG2 4.25Å; V171-L185 HydrophobicContact CG2-CB 4.17Å; V171-L185 HydrophobicContact CG2-CD1 3.73Å; V171-Q202 HydrophobicContact CB-CG 4.2Å; V171-G206 CarbonylContact C-O 3.48Å; V171-G206 VanDerWaalsContact CA-O 3.26Å; V171-G206 WeakPolarHBondContact CA-O 3.47Å |
| 172 | C | 89.6 | Confident | 87.4 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.054 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.7 | 177 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | A203 H204 G206 C208 | C172-A203 PolarHBondContact O-N 3.21Å; C172-H204 VanDerWaalsContact CB-CE1 3.46Å; C172-H204 WeakPolarHBondContact CB-CE1 3.35Å; C172-H204 VanDerWaalsContact CB-NE2 3.33Å; C172-H204 WeakPolarHBondContact CB-NE2 3.01Å; C172-H204 PolarHBondContact N-O 2.86Å; C172-H204 VanDerWaalsContact N-O 3.09Å; C172-H204 PolarHBondContact SG-NE2 2.77Å; C172-G206 PolarHBondContact N-O 3.16Å; C172-C208 WeakPolarHBondContact CA-SG 3.42Å; C172-C208 HydrophobicContact CB-CB 4Å; C172-C208 WeakPolarHBondContact CB-SG 3.42Å; C172-C208 WeakPolarHBondContact SG-CA 3.44Å; C172-C208 WeakPolarHBondContact SG-CB 3.05Å; C172-C208 CovalentContact SG-SG 2.03Å; C172-C208 PolarHBondContact SG-SG 3.2Å |
| 173 | G | 88 | Confident | 87.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 155.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D175 G176 K177 S201 | G173-D175 PolarHBondContact O-N 2.8Å; G173-D175 VanDerWaalsContact O-N 3.15Å; G173-G176 PolarHBondContact O-N 2.84Å; G173-K177 PolarHBondContact N-O 2.04Å; G173-S201 WeakPolarHBondContact CA-O 3.3Å |
| 174 | T | 84.8 | Confident | 87.3 | Confident | 82 Ų | 82 | 54.9 Ų | 54.9 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.1 | 169.8 | 36.6 | 0 | 0 | 0 | 0 | 114.2 | G176 S201 A203 | T174-G176 VanDerWaalsContact C-N 3.31Å; T174-S201 WeakPolarHBondContact CG2-OG 3.42Å; T174-S201 PolarHBondContact N-O 2.88Å; T174-S201 PolarHBondContact OG1-N 2.94Å; T174-S201 PolarHBondContact OG1-O 2.79Å; T174-S201 VanDerWaalsContact OG1-O 3.08Å; T174-S201 PolarHBondContact OG1-OG 2.8Å; T174-A203 HydrophobicContact CG2-CB 4.03Å |
| 175 | D | 83.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.6 | 167.7 | 78 | -37.5 | 0 | 0 | 0 | 113.7 | G173 K177 Y179 V200 | G173-D175 PolarHBondContact O-N 2.8Å; G173-D175 VanDerWaalsContact O-N 3.15Å; D175-K177 VanDerWaalsContact C-N 3.32Å; D175-K177 PolarHBondContact O-N 2.84Å; D175-K177 PolarHBondContact OD1-N 3.45Å; D175-K177 WeakPolarHBondContact OD2-CD 3.4Å; D175-K177 WeakPolarHBondContact OD2-CG 3.35Å; D175-K177 IonicContact OD2-NZ 3.5Å; D175-K177 PolarHBondContact OD2-NZ 3.15Å; D175-Y179 WeakPolarHBondContact OD1-CE2 3.32Å; D175-Y179 PolarHBondContact OD1-OH 2.81Å; D175-Y179 PolarHBondContact OD2-OH 2.85Å; D175-V200 HydrophobicContact CB-CG1 4.35Å; D175-V200 HydrophobicContact CB-CG2 4.05Å |
| 176 | G | 82.6 | Confident | 87.3 | Confident | 55 Ų | 55 | 55 Ų | 55 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 75.4 | 13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G173 T174 C208 | G173-G176 PolarHBondContact O-N 2.84Å; T174-G176 VanDerWaalsContact C-N 3.31Å; G176-C208 PolarHBondContact O-SG 2.88Å |
| 177 | K | 87.1 | Confident | 87.2 | Confident | 121 Ų | 121 | 50.6 Ų | 50.6 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | trans | -107.1 | 137.8 | -178.2 | -59.6 | -166.1 | -167 | 97.9 | 0 | 113.4 | G173 D175 Y179 C208 | G173-K177 PolarHBondContact N-O 2.04Å; D175-K177 VanDerWaalsContact C-N 3.32Å; D175-K177 PolarHBondContact O-N 2.84Å; D175-K177 PolarHBondContact OD1-N 3.45Å; D175-K177 WeakPolarHBondContact OD2-CD 3.4Å; D175-K177 WeakPolarHBondContact OD2-CG 3.35Å; D175-K177 IonicContact OD2-NZ 3.5Å; D175-K177 PolarHBondContact OD2-NZ 3.15Å; K177-Y179 HydrophobicContact CB-CE2 3.98Å; K177-Y179 WeakPolarHBondContact O-CD2 3.47Å; K177-Y179 WeakPolarHBondContact O-CE2 3.13Å; K177-C208 PolarHBondContact N-SG 2.87Å; K177-C208 VanDerWaalsContact N-SG 3.42Å; K177-C208 PolarHBondContact O-SG 2.79Å | ||
| 178 | T | 89.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.2 | 167.6 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | E170 P207 C208 | E170-T178 HydrophobicContact CB-CG2 4.32Å; E170-T178 WeakPolarHBondContact OE1-CG2 3.35Å; T178-P207 HydrophobicContact CG2-CB 3.7Å; T178-P207 WeakPolarHBondContact OG1-CA 3.26Å; T178-P207 WeakPolarHBondContact OG1-CB 3.31Å; T178-C208 PolarHBondContact OG1-N 2.99Å |
| 179 | Y | 89.5 | Confident | 87.8 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.8 | 169 | -65.1 | -88.4 | 0 | 0 | 0 | 108.8 | E170 V171 D175 K177 N181 K184 L185 V188 V200 | E170-Y179 WeakPolarHBondContact CA-O 3.42Å; V171-Y179 PolarHBondContact N-O 3.07Å; V171-Y179 PolarHBondContact O-N 2.89Å; D175-Y179 WeakPolarHBondContact OD1-CE2 3.32Å; D175-Y179 PolarHBondContact OD1-OH 2.81Å; D175-Y179 PolarHBondContact OD2-OH 2.85Å; K177-Y179 HydrophobicContact CB-CE2 3.98Å; K177-Y179 WeakPolarHBondContact O-CD2 3.47Å; K177-Y179 WeakPolarHBondContact O-CE2 3.13Å; Y179-N181 PolarHBondContact O-N 2.75Å; Y179-K184 HydrophobicContact CD1-CB 4.48Å; Y179-L185 HydrophobicContact CD1-CB 4.19Å; Y179-L185 HydrophobicContact CD2-CB 3.9Å; Y179-L185 HydrophobicContact CD2-CD1 3.79Å; Y179-L185 HydrophobicContact CD2-CG 3.81Å; Y179-L185 HydrophobicContact CE2-CD1 4.31Å; Y179-L185 HydrophobicContact CE2-CG 4.11Å; Y179-L185 HydrophobicContact CG-CB 3.71Å; Y179-L185 HydrophobicContact CG-CD1 4.41Å; Y179-L185 HydrophobicContact CG-CG 4.17Å; Y179-V188 HydrophobicContact CE1-CB 3.85Å; Y179-V188 HydrophobicContact CE1-CG1 4.08Å; Y179-V188 HydrophobicContact CE1-CG2 3.89Å; Y179-V200 HydrophobicContact CE2-CG1 4.27Å |
| 180 | G | 87.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -59.9 | -18.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H169 | H169-G180 CarbonylContact C-O 3.47Š|
| 181 | N | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -157.8 | 166.5 | 164.9 | 61.4 | 44 | 0 | 0 | 0 | 113 | E126 C165 Q167 D168 H169 Y179 C183 K184 L185 | E126-N181 VanDerWaalsContact CD-ND2 3.28Å; E126-N181 PolarHBondContact OE1-ND2 3.47Å; E126-N181 PolarHBondContact OE2-ND2 2.92Å; C165-N181 HydrophobicContact CB-CB 4.05Å; Q167-N181 WeakPolarHBondContact O-CB 3.37Å; D168-N181 PolarHBondContact OD1-ND2 3.45Å; H169-N181 WeakPolarHBondContact O-CA 3.28Å; Y179-N181 PolarHBondContact O-N 2.75Å; N181-C183 PolarHBondContact O-N 3.49Å; N181-C183 WeakPolarHBondContact OD1-CB 3.43Å; N181-C183 PolarHBondContact OD1-N 2.9Å; N181-K184 PolarHBondContact ND2-NZ 3.44Å; N181-K184 VanDerWaalsContact ND2-NZ 3.11Å; N181-K184 PolarHBondContact O-N 3.11Å; N181-K184 WeakPolarHBondContact OD1-CG 3.44Å; N181-K184 PolarHBondContact OD1-N 3.39Å; N181-L185 PolarHBondContact O-N 3.03Å |
| 182 | V | 89.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.4 | -32.4 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | Q167 V171 L185 K186 | Q167-V182 HydrophobicContact CB-CB 4.33Å; Q167-V182 HydrophobicContact CB-CG2 4.15Å; V171-V182 HydrophobicContact CG1-CG2 3.65Å; V171-V182 HydrophobicContact CG2-CG2 4.25Å; V182-L185 PolarHBondContact O-N 3.04Å; V182-K186 HydrophobicContact CG1-CD 4.09Å; V182-K186 HydrophobicContact CG1-CG 4.46Å; V182-K186 WeakPolarHBondContact O-CG 3.25Å; V182-K186 PolarHBondContact O-N 3.3Å |
| 183 | C | 88.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.8 | -41 | -179.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | G141 L142 C165 N181 K186 A187 | G141-C183 PolarHBondContact O-SG 2.73Å; L142-C183 HydrophobicContact CD2-CB 3.93Å; C165-C183 WeakPolarHBondContact CA-SG 3.06Å; C165-C183 HydrophobicContact CB-CB 3.72Å; C165-C183 WeakPolarHBondContact CB-SG 3.46Å; C165-C183 WeakPolarHBondContact SG-CB 3.48Å; C165-C183 PolarHBondContact SG-N 3.28Å; C165-C183 CovalentContact SG-SG 2.04Å; C165-C183 PolarHBondContact SG-SG 3.25Å; N181-C183 PolarHBondContact O-N 3.49Å; N181-C183 WeakPolarHBondContact OD1-CB 3.43Å; N181-C183 PolarHBondContact OD1-N 2.9Å; C183-K186 PolarHBondContact O-N 2.69Å; C183-A187 WeakPolarHBondContact O-CB 3.41Å; C183-A187 PolarHBondContact O-N 3.5Å |
| 184 | K | 88.3 | Confident | 87 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 41% | 0.409 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 172.7 | -70.8 | 172.9 | 176.3 | 94.9 | 0 | 112 | E126 Y179 N181 A187 V188 | E126-K184 VanDerWaalsContact OE2-CE 3.3Å; E126-K184 WeakPolarHBondContact OE2-CE 3.35Å; E126-K184 IonicContact OE2-NZ 2.76Å; E126-K184 PolarHBondContact OE2-NZ 2.98Å; Y179-K184 HydrophobicContact CD1-CB 4.48Å; N181-K184 PolarHBondContact ND2-NZ 3.44Å; N181-K184 VanDerWaalsContact ND2-NZ 3.11Å; N181-K184 PolarHBondContact O-N 3.11Å; N181-K184 WeakPolarHBondContact OD1-CG 3.44Å; N181-K184 PolarHBondContact OD1-N 3.39Å; K184-A187 PolarHBondContact O-N 2.85Å; K184-V188 PolarHBondContact O-N 3.25Å; K184-V188 VanDerWaalsContact O-N 3.09Å |
| 185 | L | 90.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -51.5 | 175.2 | -173.7 | 158.2 | 0 | 0 | 0 | 111 | V171 Y179 N181 V182 A187 V188 S189 V200 Q202 | V171-L185 HydrophobicContact CG2-CB 4.17Å; V171-L185 HydrophobicContact CG2-CD1 3.73Å; Y179-L185 HydrophobicContact CD1-CB 4.19Å; Y179-L185 HydrophobicContact CD2-CB 3.9Å; Y179-L185 HydrophobicContact CD2-CD1 3.79Å; Y179-L185 HydrophobicContact CD2-CG 3.81Å; Y179-L185 HydrophobicContact CE2-CD1 4.31Å; Y179-L185 HydrophobicContact CE2-CG 4.11Å; Y179-L185 HydrophobicContact CG-CB 3.71Å; Y179-L185 HydrophobicContact CG-CD1 4.41Å; Y179-L185 HydrophobicContact CG-CG 4.17Å; N181-L185 PolarHBondContact O-N 3.03Å; V182-L185 PolarHBondContact O-N 3.04Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 2.76Å; L185-V188 PolarHBondContact O-N 3.02Å; L185-S189 WeakPolarHBondContact O-CB 3.33Å; L185-S189 PolarHBondContact O-N 3.17Å; L185-V200 HydrophobicContact CD2-CG1 4.41Å; L185-V200 WeakPolarHBondContact CD2-O 3.27Å; L185-V200 HydrophobicContact CG-CG1 4.35Å; L185-Q202 HydrophobicContact CD1-CB 4.1Å |
| 186 | K | 88.7 | Confident | 87.2 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 179.2 | -73.7 | 178.6 | 178.2 | -179 | 0 | 112.9 | V182 C183 S189 R190 | V182-K186 HydrophobicContact CG1-CD 4.09Å; V182-K186 HydrophobicContact CG1-CG 4.46Å; V182-K186 WeakPolarHBondContact O-CG 3.25Å; V182-K186 PolarHBondContact O-N 3.3Å; C183-K186 PolarHBondContact O-N 2.69Å; K186-S189 PolarHBondContact O-N 3.31Å; K186-R190 WeakPolarHBondContact O-CG 3.28Å; K186-R190 PolarHBondContact O-N 3.1Å |
| 187 | A | 85.8 | Confident | 87.4 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C183 K184 L185 R191 | C183-A187 WeakPolarHBondContact O-CB 3.41Å; C183-A187 PolarHBondContact O-N 3.5Å; K184-A187 PolarHBondContact O-N 2.85Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 2.76Å; A187-R191 WeakPolarHBondContact O-CB 3.25Å; A187-R191 PolarHBondContact O-N 2.95Å |
| 188 | V | 88.3 | Confident | 87.2 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 39% | 0.394 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 175.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | Y179 K184 L185 R191 A192 | Y179-V188 HydrophobicContact CE1-CB 3.85Å; Y179-V188 HydrophobicContact CE1-CG1 4.08Å; Y179-V188 HydrophobicContact CE1-CG2 3.89Å; K184-V188 PolarHBondContact O-N 3.25Å; K184-V188 VanDerWaalsContact O-N 3.09Å; L185-V188 PolarHBondContact O-N 3.02Å; V188-R191 CarbonylContact O-C 3.48Å; V188-R191 PolarHBondContact O-N 2.86Å; V188-A192 PolarHBondContact O-N 3.3Å |
| 189 | S | 90 | Very high | 87.1 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.5 | -50.4 | 174.2 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | L185 K186 R191 A192 V193 V200 | L185-S189 WeakPolarHBondContact O-CB 3.33Å; L185-S189 PolarHBondContact O-N 3.17Å; K186-S189 PolarHBondContact O-N 3.31Å; S189-R191 VanDerWaalsContact C-N 3.3Å; S189-R191 PolarHBondContact O-N 2.8Å; S189-A192 WeakPolarHBondContact O-CB 3.45Å; S189-A192 PolarHBondContact O-N 3.28Å; S189-V193 PolarHBondContact O-N 2.92Å; S189-V193 VanDerWaalsContact O-N 3.09Å; S189-V200 WeakPolarHBondContact CB-O 3.08Å; S189-V200 PolarHBondContact OG-N 2.92Å; S189-V200 PolarHBondContact OG-O 2.96Å |
| 190 | R | 86.4 | Confident | 87 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 28% | 0.275 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 174.2 | -73.7 | -171.5 | -73.7 | -108.9 | 7.6 | 112.2 | P108 G109 K186 A192 V193 Q194 | P108-R190 PolarHBondContact O-NE 2.92Å; G109-R190 PolarHBondContact O-NH2 2.98Å; K186-R190 WeakPolarHBondContact O-CG 3.28Å; K186-R190 PolarHBondContact O-N 3.1Å; R190-A192 VanDerWaalsContact C-N 3.3Å; R190-A192 PolarHBondContact O-N 3.38Å; R190-V193 PolarHBondContact O-N 3.13Å; R190-Q194 WeakPolarHBondContact O-CB 3.27Å; R190-Q194 WeakPolarHBondContact O-CG 3.32Å; R190-Q194 PolarHBondContact O-N 3.38Å |
| 191 | R | 85.3 | Confident | 87.1 | Confident | 157 Ų | 157 | 66 Ų | 66 | 59% | 0.592 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.2 | -22.7 | 177.2 | -161.5 | -179.3 | -171.3 | -162.9 | 3.3 | 113.5 | P108 A187 V188 S189 K195 | P108-R191 HydrophobicContact CB-CB 4.37Å; A187-R191 WeakPolarHBondContact O-CB 3.25Å; A187-R191 PolarHBondContact O-N 2.95Å; V188-R191 CarbonylContact O-C 3.48Å; V188-R191 PolarHBondContact O-N 2.86Å; S189-R191 VanDerWaalsContact C-N 3.3Å; S189-R191 PolarHBondContact O-N 2.8Å; R191-K195 WeakPolarHBondContact O-CG 3.39Å |
| 192 | A | 85.1 | Confident | 87 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.8 | -48.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | V188 S189 R190 Q194 K195 G196 R197 A198 | V188-A192 PolarHBondContact O-N 3.3Å; S189-A192 WeakPolarHBondContact O-CB 3.45Å; S189-A192 PolarHBondContact O-N 3.28Å; R190-A192 VanDerWaalsContact C-N 3.3Å; R190-A192 PolarHBondContact O-N 3.38Å; A192-Q194 PolarHBondContact O-N 3.28Å; A192-K195 CarbonylContact O-C 3.58Å; A192-K195 WeakPolarHBondContact O-CA 3.44Å; A192-K195 PolarHBondContact O-N 2.88Å; A192-G196 PolarHBondContact O-N 2.92Å; A192-R197 CarbonylContact C-O 3.6Å; A192-R197 HydrophobicContact CB-CB 4.16Å; A192-R197 WeakPolarHBondContact O-CB 3.01Å; A192-R197 PolarHBondContact O-N 3Å; A192-A198 WeakPolarHBondContact CB-O 3.48Å |
| 193 | V | 85.7 | Confident | 86.7 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | S189 R190 K195 G196 R197 A199 | S189-V193 PolarHBondContact O-N 2.92Å; S189-V193 VanDerWaalsContact O-N 3.09Å; R190-V193 PolarHBondContact O-N 3.13Å; V193-K195 PolarHBondContact O-N 2.95Å; V193-G196 PolarHBondContact O-N 2.8Å; V193-R197 WeakPolarHBondContact CA-O 3.43Å; V193-R197 PolarHBondContact N-O 2.86Å; V193-A199 HydrophobicContact CG2-CB 3.63Å |
| 194 | Q | 81.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 40% | 0.402 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -11 | 173.9 | -74 | 178.1 | -26 | 0 | 0 | 114.6 | S106 P108 R190 A192 | S106-Q194 PolarHBondContact OG-NE2 2.93Å; P108-Q194 VanDerWaalsContact CG-OE1 3.28Å; R190-Q194 WeakPolarHBondContact O-CB 3.27Å; R190-Q194 WeakPolarHBondContact O-CG 3.32Å; R190-Q194 PolarHBondContact O-N 3.38Å; A192-Q194 PolarHBondContact O-N 3.28Å |
| 195 | K | 86.4 | Confident | 86.2 | Confident | 140 Ų | 140 | 78.3 Ų | 78.3 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 17.7 | 174.7 | -70.9 | -171.1 | 168.8 | -157.1 | 0 | 112.8 | R191 A192 V193 R197 | R191-K195 WeakPolarHBondContact O-CG 3.39Å; A192-K195 CarbonylContact O-C 3.58Å; A192-K195 WeakPolarHBondContact O-CA 3.44Å; A192-K195 PolarHBondContact O-N 2.88Å; V193-K195 PolarHBondContact O-N 2.95Å; K195-R197 VanDerWaalsContact C-N 3.26Å; K195-R197 PolarHBondContact O-N 3.1Å |
| 196 | G | 85.6 | Confident | 85.9 | Confident | 77 Ų | 77 | 79.2 Ų | 79.2 | 79% | 0.794 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 22.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A192 V193 | A192-G196 PolarHBondContact O-N 2.92Å; V193-G196 PolarHBondContact O-N 2.8Å |
| 197 | R | 87.1 | Confident | 85.7 | Confident | 182 Ų | 182 | 77.2 Ų | 77.2 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | trans | -107.5 | 156.4 | 178.9 | -61.5 | 179.7 | -179.9 | -176.4 | -3.9 | 110.7 | A192 V193 K195 | A192-R197 CarbonylContact C-O 3.6Å; A192-R197 HydrophobicContact CB-CB 4.16Å; A192-R197 WeakPolarHBondContact O-CB 3.01Å; A192-R197 PolarHBondContact O-N 3Å; V193-R197 WeakPolarHBondContact CA-O 3.43Å; V193-R197 PolarHBondContact N-O 2.86Å; K195-R197 VanDerWaalsContact C-N 3.26Å; K195-R197 PolarHBondContact O-N 3.1Å | ||
| 198 | A | 83.9 | Confident | 85.3 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 143.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A192 | A192-A198 WeakPolarHBondContact CB-O 3.48Š|
| 199 | A | 87.4 | Confident | 84.6 | Confident | 60 Ų | 60 | 77.5 Ų | 77.5 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 131.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V193 S201 | V193-A199 HydrophobicContact CG2-CB 3.63Å; A199-S201 PolarHBondContact O-N 2.7Å |
| 200 | V | 86.8 | Confident | 83 | Confident | 16 Ų | 16 | 82 Ų | 82 | 10% | 0.097 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 118.1 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | D175 Y179 L185 S189 | D175-V200 HydrophobicContact CB-CG1 4.35Å; D175-V200 HydrophobicContact CB-CG2 4.05Å; Y179-V200 HydrophobicContact CE2-CG1 4.27Å; L185-V200 HydrophobicContact CD2-CG1 4.41Å; L185-V200 WeakPolarHBondContact CD2-O 3.27Å; L185-V200 HydrophobicContact CG-CG1 4.35Å; S189-V200 WeakPolarHBondContact CB-O 3.08Å; S189-V200 PolarHBondContact OG-N 2.92Å; S189-V200 PolarHBondContact OG-O 2.96Å |
| 201 | S | 89 | Confident | 81.4 | Confident | 66 Ų | 66 | 85 Ų | 85 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 165 | 169.3 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | G173 T174 A199 A203 | G173-S201 WeakPolarHBondContact CA-O 3.3Å; T174-S201 WeakPolarHBondContact CG2-OG 3.42Å; T174-S201 PolarHBondContact N-O 2.88Å; T174-S201 PolarHBondContact OG1-N 2.94Å; T174-S201 PolarHBondContact OG1-O 2.79Å; T174-S201 VanDerWaalsContact OG1-O 3.08Å; T174-S201 PolarHBondContact OG1-OG 2.8Å; A199-S201 PolarHBondContact O-N 2.7Å; S201-A203 PolarHBondContact O-N 2.82Å |
| 202 | Q | 88.8 | Confident | 79.2 | Confident | 73 Ų | 73 | 84 Ų | 84 | 34% | 0.341 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.6 | 169.8 | 179.1 | 174.1 | 3.9 | 0 | 0 | 109.3 | V171 L185 H204 | V171-Q202 HydrophobicContact CB-CG 4.2Å; L185-Q202 HydrophobicContact CD1-CB 4.1Å; Q202-H204 VanDerWaalsContact CG-O 3.31Å; Q202-H204 WeakPolarHBondContact CG-O 3.4Å; Q202-H204 PolarHBondContact NE2-O 3Å |
| 203 | A | 83.3 | Confident | 77.5 | Confident | 55 Ų | 55 | 91.8 Ų | 91.8 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -47.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | C172 T174 S201 | C172-A203 PolarHBondContact O-N 3.21Å; T174-A203 HydrophobicContact CG2-CB 4.03Å; S201-A203 PolarHBondContact O-N 2.82Å |
| 204 | H | 82.8 | Confident | 75.6 | Confident | 88 Ų | 88 | 91.4 Ų | 91.4 | 41% | 0.407 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -155.7 | 177.6 | 174.5 | 61.5 | 90.2 | 0 | 0 | 0 | 112.7 | C172 Q202 P207 | C172-H204 VanDerWaalsContact CB-CE1 3.46Å; C172-H204 WeakPolarHBondContact CB-CE1 3.35Å; C172-H204 VanDerWaalsContact CB-NE2 3.33Å; C172-H204 WeakPolarHBondContact CB-NE2 3.01Å; C172-H204 PolarHBondContact N-O 2.86Å; C172-H204 VanDerWaalsContact N-O 3.09Å; C172-H204 PolarHBondContact SG-NE2 2.77Å; Q202-H204 VanDerWaalsContact CG-O 3.31Å; Q202-H204 WeakPolarHBondContact CG-O 3.4Å; Q202-H204 PolarHBondContact NE2-O 3Å; H204-P207 PolarHBondContact CE1-O 3.32Å |
| 205 | K | 82.1 | Confident | 73.7 | Confident | 158 Ų | 158 | 99.4 Ų | 99.4 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87 | 153.2 | 169.8 | -63.6 | 177.9 | -178.8 | 173.4 | 0 | 110 | ||
| 206 | G | 83.4 | Confident | 71.4 | Confident | 24 Ų | 24 | 95.3 Ų | 95.3 | 25% | 0.247 | 57% | 0.566 | C | S | . | * | S | Bend | trans | 82.4 | 169.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E170 V171 C172 | E170-G206 VanDerWaalsContact O-CA 3.28Å; E170-G206 WeakPolarHBondContact O-CA 3.33Å; E170-G206 PolarHBondContact O-N 3Å; V171-G206 CarbonylContact C-O 3.48Å; V171-G206 VanDerWaalsContact CA-O 3.26Å; V171-G206 WeakPolarHBondContact CA-O 3.47Å; C172-G206 PolarHBondContact N-O 3.16Å |
| 207 | P | 85 | Confident | 69.5 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 41% | 0.409 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 152.5 | 178.8 | 28.4 | -36 | 0 | 0 | 0 | 112.3 | T178 H204 | T178-P207 HydrophobicContact CG2-CB 3.7Å; T178-P207 WeakPolarHBondContact OG1-CA 3.26Å; T178-P207 WeakPolarHBondContact OG1-CB 3.31Å; H204-P207 PolarHBondContact CE1-O 3.32Å |
| 208 | C | 78.3 | Confident | 67.7 | Low | 16 Ų | 16 | 95.8 Ų | 95.8 | 11% | 0.108 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -66.2 | 134.1 | 163.4 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | C172 G176 K177 T178 T210 | C172-C208 WeakPolarHBondContact CA-SG 3.42Å; C172-C208 HydrophobicContact CB-CB 4Å; C172-C208 WeakPolarHBondContact CB-SG 3.42Å; C172-C208 WeakPolarHBondContact SG-CA 3.44Å; C172-C208 WeakPolarHBondContact SG-CB 3.05Å; C172-C208 CovalentContact SG-SG 2.03Å; C172-C208 PolarHBondContact SG-SG 3.2Å; G176-C208 PolarHBondContact O-SG 2.88Å; K177-C208 PolarHBondContact N-SG 2.87Å; K177-C208 VanDerWaalsContact N-SG 3.42Å; K177-C208 PolarHBondContact O-SG 2.79Å; T178-C208 PolarHBondContact OG1-N 2.99Å; C208-T210 PolarHBondContact O-N 3.25Å |
| 209 | S | 72.4 | Confident | 66 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.8 | 178 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 210 | T | 56.8 | Low | 64.4 | Low | 111 Ų | 111 | 101.9 Ų | 101.9 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 147.9 | 164.7 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | C208 D212 | C208-T210 PolarHBondContact O-N 3.25Å; T210-D212 PolarHBondContact O-N 2.83Å |
| 211 | P | 52.1 | Low | 63.3 | Low | 137 Ų | 137 | 106 Ų | 106 | 89% | 0.89 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -80.4 | 56.8 | -176.7 | 35.2 | -37.5 | 0 | 0 | 0 | 112.2 | ||
| 212 | D | 39.7 | Very low | 62.9 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -120.7 | 158.7 | 175.4 | -94.8 | -57.6 | 0 | 0 | 0 | 112 | T210 G214 | T210-D212 PolarHBondContact O-N 2.83Å; D212-G214 PolarHBondContact O-N 3.17Å | ||
| 213 | L | 48.5 | Very low | 62.9 | Low | 179 Ų | 179 | 105 Ų | 105 | 94% | 0.937 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -58.2 | 129.7 | -166.5 | -99.9 | 61.1 | 0 | 0 | 0 | 114.3 | ||
| 214 | G | 46.3 | Very low | 62.9 | Low | 74 Ų | 74 | 110.5 Ų | 110.5 | 76% | 0.763 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 123.1 | -10.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | D212 | D212-G214 PolarHBondContact O-N 3.17Š|
| 215 | R | 42.7 | Very low | 63 | Low | 255 Ų | 255 | 113 Ų | 113 | 96% | 0.962 | 62% | 0.616 | S | S | * | * | trans | -156.2 | 75.5 | 175.2 | -122.2 | 170.6 | -174.7 | -178.8 | 0.7 | 116.1 | ||||
| 216 | S | 37.5 | Very low | 63.2 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 38% | 0.378 | 61% | 0.613 | S | S | . | * | trans | -115.7 | 134.8 | 154.8 | -178 | 0 | 0 | 0 | 0 | 110.7 | T218 | S216-T218 PolarHBondContact OG-N 2.96Å; S216-T218 PolarHBondContact OG-O 3.42Å; S216-T218 PolarHBondContact OG-OG1 2.99Å; S216-T218 VanDerWaalsContact OG-OG1 3.07Å | ||
| 217 | L | 46.7 | Very low | 63.6 | Low | 168 Ų | 168 | 116.7 Ų | 116.7 | 88% | 0.88 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -89.9 | 1.2 | 172.8 | -88.6 | 168 | 0 | 0 | 0 | 113.6 | ||
| 218 | T | 47.4 | Very low | 64 | Low | 101 Ų | 101 | 117.1 Ų | 117.1 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | trans | -97.4 | 108 | 156.1 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | S216 P220 | S216-T218 PolarHBondContact OG-N 2.96Å; S216-T218 PolarHBondContact OG-O 3.42Å; S216-T218 PolarHBondContact OG-OG1 2.99Å; S216-T218 VanDerWaalsContact OG-OG1 3.07Å; T218-P220 VanDerWaalsContact C-CD 3.49Å; T218-P220 WeakPolarHBondContact O-CD 3.26Å | ||
| 219 | R | 48.3 | Very low | 64.9 | Low | 173 Ų | 173 | 119.9 Ų | 119.9 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | trans | -102 | 86.2 | 169.2 | -76.5 | -174.8 | 173.3 | -178 | -2.4 | 109.1 | S221 S222 Y225 | R219-S221 PolarHBondContact O-N 3.33Å; R219-S221 VanDerWaalsContact O-N 3.12Å; R219-S222 VanDerWaalsContact O-CB 3.28Å; R219-S222 WeakPolarHBondContact O-CB 3.39Å; R219-S222 PolarHBondContact O-N 2.88Å; R219-Y225 VanDerWaalsContact O-CD2 3.31Å; R219-Y225 WeakPolarHBondContact O-CD2 3.37Å | ||
| 220 | P | 54.8 | Low | 66 | Low | 103 Ų | 103 | 117.4 Ų | 117.4 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.1 | 173.8 | 27.1 | -35.1 | 0 | 0 | 0 | 113 | T218 | T218-P220 VanDerWaalsContact C-CD 3.49Å; T218-P220 WeakPolarHBondContact O-CD 3.26Å |
| 221 | S | 63.2 | Low | 67.8 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -8.6 | 170.5 | 54 | 0 | 0 | 0 | 0 | 114.7 | R219 | R219-S221 PolarHBondContact O-N 3.33Å; R219-S221 VanDerWaalsContact O-N 3.12Å |
| 222 | S | 81.4 | Confident | 69.9 | Low | 31 Ų | 31 | 112.8 Ų | 112.8 | 22% | 0.217 | 58% | 0.584 | C | S | . | * | S | Bend | trans | -76.5 | 134 | 176 | 175 | 0 | 0 | 0 | 0 | 110.1 | R219 R224 Y225 K226 | R219-S222 VanDerWaalsContact O-CB 3.28Å; R219-S222 WeakPolarHBondContact O-CB 3.39Å; R219-S222 PolarHBondContact O-N 2.88Å; S222-R224 PolarHBondContact O-N 2.78Å; S222-Y225 PolarHBondContact O-N 2.63Å; S222-K226 PolarHBondContact O-N 3.22Å |
| 223 | P | 87.5 | Confident | 72.6 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -48.2 | -37.1 | 176.7 | -31.3 | 36.9 | 0 | 0 | 0 | 114.1 | Y225 K226 F227 | P223-Y225 VanDerWaalsContact C-N 3.29Å; P223-Y225 PolarHBondContact O-N 3.21Å; P223-K226 PolarHBondContact O-N 3.41Å; P223-K226 VanDerWaalsContact O-N 3.09Å; P223-F227 HydrophobicContact CB-CD2 3.9Å; P223-F227 HydrophobicContact CB-CE2 4.21Å; P223-F227 WeakPolarHBondContact O-CD2 3.23Å; P223-F227 PolarHBondContact O-N 2.58Å |
| 224 | R | 84.9 | Confident | 74.8 | Confident | 171 Ų | 171 | 99.6 Ų | 99.6 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.1 | -32.7 | 177.7 | -178.8 | 176.6 | 174.8 | 170.7 | 0.3 | 114.2 | S222 N228 | S222-R224 PolarHBondContact O-N 2.78Å; R224-N228 WeakPolarHBondContact O-CB 3.36Å; R224-N228 PolarHBondContact O-ND2 3.48Å; R224-N228 PolarHBondContact O-OD1 3.09Å |
| 225 | Y | 84 | Confident | 77.1 | Confident | 141 Ų | 141 | 103.7 Ų | 103.7 | 55% | 0.553 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -98.7 | -1 | 178.5 | -63.2 | -75.8 | 0 | 0 | 0 | 112.8 | R219 S222 P223 | R219-Y225 VanDerWaalsContact O-CD2 3.31Å; R219-Y225 WeakPolarHBondContact O-CD2 3.37Å; S222-Y225 PolarHBondContact O-N 2.63Å; P223-Y225 VanDerWaalsContact C-N 3.29Å; P223-Y225 PolarHBondContact O-N 3.21Å |
| 226 | K | 87 | Confident | 79.6 | Confident | 142 Ų | 142 | 98.3 Ų | 98.3 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -107.2 | -27.8 | 179.9 | -175.6 | 174.3 | 176.6 | -179.3 | 0 | 113.3 | S222 P223 | S222-K226 PolarHBondContact O-N 3.22Å; P223-K226 PolarHBondContact O-N 3.41Å; P223-K226 VanDerWaalsContact O-N 3.09Å |
| 227 | F | 91.9 | Very high | 82.4 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -125.1 | 7.7 | -171.3 | -55.4 | -64.8 | 0 | 0 | 0 | 114.3 | P223 F229 | P223-F227 HydrophobicContact CB-CD2 3.9Å; P223-F227 HydrophobicContact CB-CE2 4.21Å; P223-F227 WeakPolarHBondContact O-CD2 3.23Å; P223-F227 PolarHBondContact O-N 2.58Å; F227-F229 WeakPolarHBondContact O-CD1 3.47Å; F227-F229 WeakPolarHBondContact O-CE1 3.37Å; F227-F229 PolarHBondContact O-N 3Å; F227-F229 VanDerWaalsContact O-N 3.1Å |
| 228 | N | 93.6 | Very high | 84.7 | Confident | 72 Ų | 72 | 88 Ų | 88 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | trans | -82.5 | 34.5 | 177.2 | -86.7 | 25 | 0 | 0 | 0 | 113.3 | R224 I230 A231 D232 | R224-N228 WeakPolarHBondContact O-CB 3.36Å; R224-N228 PolarHBondContact O-ND2 3.48Å; R224-N228 PolarHBondContact O-OD1 3.09Å; N228-I230 PolarHBondContact O-N 2.58Å; N228-A231 HydrophobicContact CB-CB 4.28Å; N228-A231 WeakPolarHBondContact O-CA 3.42Å; N228-A231 WeakPolarHBondContact O-CB 3.32Å; N228-A231 PolarHBondContact O-N 2.89Å; N228-D232 PolarHBondContact O-N 3.05Å | ||
| 229 | F | 95.5 | Very high | 86.9 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -53.9 | -32 | -175.8 | 54.2 | -94.3 | 0 | 0 | 0 | 113.8 | F227 A231 D232 V233 F342 L399 | F227-F229 WeakPolarHBondContact O-CD1 3.47Å; F227-F229 WeakPolarHBondContact O-CE1 3.37Å; F227-F229 PolarHBondContact O-N 3Å; F227-F229 VanDerWaalsContact O-N 3.1Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 2.95Å; F229-D232 WeakPolarHBondContact CA-OD2 3.05Å; F229-D232 PolarHBondContact O-N 3.39Å; F229-V233 VanDerWaalsContact O-CG2 3.3Å; F229-V233 WeakPolarHBondContact O-CG2 3.48Å; F229-V233 PolarHBondContact O-N 3.17Å; F229-F342 HydrophobicContact CE2-CB 4.46Å; F229-F342 HydrophobicContact CE2-CD2 4.18Å; F229-F342 HydrophobicContact CE2-CG 4.15Å; F229-F342 HydrophobicContact CZ-CD2 4.24Å; F229-F342 HydrophobicContact CZ-CE2 4.2Å; F229-F342 HydrophobicContact CZ-CZ 4.46Å; F229-L399 HydrophobicContact CD2-CD1 3.97Å; F229-L399 HydrophobicContact CD2-CD2 3.65Å; F229-L399 HydrophobicContact CD2-CG 4.48Å; F229-L399 HydrophobicContact CE2-CD1 4.14Å; F229-L399 HydrophobicContact CE2-CD2 3.99Å |
| 230 | I | 96.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 172.8 | -58.3 | -57.8 | 0 | 0 | 0 | 112.2 | N228 V234 V344 T358 L399 | N228-I230 PolarHBondContact O-N 2.58Å; I230-V234 WeakPolarHBondContact O-CB 3.22Å; I230-V234 WeakPolarHBondContact O-CG2 3.29Å; I230-V234 PolarHBondContact O-N 3.01Å; I230-V344 HydrophobicContact CD1-CG2 3.84Å; I230-V344 HydrophobicContact CG2-CG2 4.03Å; I230-T358 WeakPolarHBondContact CD1-OG1 3.44Å; I230-L399 HydrophobicContact CD1-CD2 4.03Å |
| 231 | A | 94.4 | Very high | 91.2 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | N228 F229 V233 V234 E235 | N228-A231 HydrophobicContact CB-CB 4.28Å; N228-A231 WeakPolarHBondContact O-CA 3.42Å; N228-A231 WeakPolarHBondContact O-CB 3.32Å; N228-A231 PolarHBondContact O-N 2.89Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 2.95Å; A231-V233 VanDerWaalsContact C-N 3.32Å; A231-V233 PolarHBondContact O-N 2.85Å; A231-V234 PolarHBondContact O-N 3.42Å; A231-E235 PolarHBondContact O-N 3.03Å |
| 232 | D | 95 | Very high | 92.8 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 177.8 | -49.7 | -33.5 | 0 | 0 | 0 | 110.9 | N228 F229 K236 | N228-D232 PolarHBondContact O-N 3.05Å; F229-D232 WeakPolarHBondContact CA-OD2 3.05Å; F229-D232 PolarHBondContact O-N 3.39Å; D232-K236 WeakPolarHBondContact O-CB 3.23Å; D232-K236 PolarHBondContact O-N 3.26Å; D232-K236 VanDerWaalsContact O-N 3.12Å |
| 233 | V | 96.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 172.3 | 169 | 0 | 0 | 0 | 0 | 111.3 | F229 A231 K236 I237 V344 V397 L399 | F229-V233 VanDerWaalsContact O-CG2 3.3Å; F229-V233 WeakPolarHBondContact O-CG2 3.48Å; F229-V233 PolarHBondContact O-N 3.17Å; A231-V233 VanDerWaalsContact C-N 3.32Å; A231-V233 PolarHBondContact O-N 2.85Å; V233-K236 PolarHBondContact O-N 3.13Å; V233-I237 HydrophobicContact CG1-CD1 4.06Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 WeakPolarHBondContact O-CG2 3.32Å; V233-I237 PolarHBondContact O-N 3.31Å; V233-V344 HydrophobicContact CG1-CB 4.4Å; V233-V344 HydrophobicContact CG1-CG2 4.02Å; V233-V397 HydrophobicContact CG1-CG2 3.76Å; V233-L399 HydrophobicContact CG2-CD2 4.41Å; V233-L399 VanDerWaalsContact CG2-O 3.25Å; V233-L399 WeakPolarHBondContact CG2-O 3.43Å |
| 234 | V | 95.6 | Very high | 93.8 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.9 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | I230 A231 K236 I237 A238 V344 I346 V356 | I230-V234 WeakPolarHBondContact O-CB 3.22Å; I230-V234 WeakPolarHBondContact O-CG2 3.29Å; I230-V234 PolarHBondContact O-N 3.01Å; A231-V234 PolarHBondContact O-N 3.42Å; V234-K236 VanDerWaalsContact C-N 3.3Å; V234-K236 PolarHBondContact O-N 3.03Å; V234-I237 PolarHBondContact O-N 2.89Å; V234-A238 WeakPolarHBondContact O-CB 3.48Å; V234-A238 PolarHBondContact O-N 3.23Å; V234-V344 HydrophobicContact CG2-CG1 4.05Å; V234-I346 HydrophobicContact CG1-CD1 4.32Å; V234-V356 HydrophobicContact CG1-CG2 3.92Å; V234-V356 HydrophobicContact CG2-CB 4.39Å; V234-V356 HydrophobicContact CG2-CG1 3.56Å; V234-V356 HydrophobicContact CG2-CG2 3.88Å |
| 235 | E | 93.9 | Very high | 94.2 | Very high | 159 Ų | 159 | 54.6 Ų | 54.6 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.4 | -39.3 | 178.1 | -173.2 | 172.4 | 168.8 | 0 | 0 | 111.5 | A231 | A231-E235 PolarHBondContact O-N 3.03Å |
| 236 | K | 95.1 | Very high | 94.5 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.7 | -43.9 | 176 | -177.4 | -178.9 | 179 | -178.5 | 0 | 113.3 | D232 V233 V234 D400 | D232-K236 WeakPolarHBondContact O-CB 3.23Å; D232-K236 PolarHBondContact O-N 3.26Å; D232-K236 VanDerWaalsContact O-N 3.12Å; V233-K236 PolarHBondContact O-N 3.13Å; V234-K236 VanDerWaalsContact C-N 3.3Å; V234-K236 PolarHBondContact O-N 3.03Å; K236-D400 PolarHBondContact NZ-O 3.15Å |
| 237 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -93.4 | -29.7 | -170.5 | 71.8 | -168 | 0 | 0 | 0 | 114.3 | V233 V234 P239 A240 L329 I346 V397 | V233-I237 HydrophobicContact CG1-CD1 4.06Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 WeakPolarHBondContact O-CG2 3.32Å; V233-I237 PolarHBondContact O-N 3.31Å; V234-I237 PolarHBondContact O-N 2.89Å; I237-P239 VanDerWaalsContact C-CD 3.4Å; I237-P239 VanDerWaalsContact C-N 3.34Å; I237-A240 PolarHBondContact O-N 2.65Å; I237-L329 HydrophobicContact CB-CD1 4.5Å; I237-L329 HydrophobicContact CB-CD2 3.84Å; I237-L329 HydrophobicContact CG2-CD2 3.9Å; I237-I346 HydrophobicContact CD1-CB 4.31Å; I237-I346 HydrophobicContact CD1-CD1 4.12Å; I237-I346 HydrophobicContact CD1-CG2 3.66Å; I237-I346 HydrophobicContact CG1-CD1 3.97Å; I237-I346 HydrophobicContact CG1-CG2 4.21Å; I237-V397 HydrophobicContact CD1-CG1 4.26Å; I237-V397 HydrophobicContact CD1-CG2 3.51Å |
| 238 | A | 94.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -53.3 | -37.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V234 A240 V241 I346 N354 | V234-A238 WeakPolarHBondContact O-CB 3.48Å; V234-A238 PolarHBondContact O-N 3.23Å; A238-A240 PolarHBondContact O-N 3.4Å; A238-A240 VanDerWaalsContact O-N 3.16Å; A238-V241 PolarHBondContact O-N 2.86Å; A238-I346 HydrophobicContact CB-CD1 4.24Å; A238-N354 WeakPolarHBondContact CB-ND2 3.29Å |
| 239 | P | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 41 Ų | 41 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -66.5 | -11.3 | 177.7 | -23.6 | 36.1 | 0 | 0 | 0 | 115.8 | I237 H327 | I237-P239 VanDerWaalsContact C-CD 3.4Å; I237-P239 VanDerWaalsContact C-N 3.34Å; P239-H327 HydrophobicContact CB-CB 4.12Å; P239-H327 WeakPolarHBondContact CB-ND1 3.36Å |
| 240 | A | 96.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -106 | -5.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I237 A238 F265 I266 H327 L329 | I237-A240 PolarHBondContact O-N 2.65Å; A238-A240 PolarHBondContact O-N 3.4Å; A238-A240 VanDerWaalsContact O-N 3.16Å; A240-F265 WeakPolarHBondContact O-CA 3.04Å; A240-I266 PolarHBondContact O-N 2.92Å; A240-H327 HydrophobicContact CB-CB 4.01Å; A240-L329 HydrophobicContact CB-CD2 3.76Å; A240-L329 HydrophobicContact CB-CG 3.77Å |
| 241 | V | 96.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 142.6 | 173 | -178.1 | 0 | 0 | 0 | 0 | 109 | A238 I346 P395 | A238-V241 PolarHBondContact O-N 2.86Å; V241-I346 HydrophobicContact CG2-CD1 4.26Å; V241-I346 HydrophobicContact CG2-CG1 4.26Å; V241-I346 HydrophobicContact CG2-CG2 3.7Å; V241-P395 HydrophobicContact CG2-CG 4.15Å |
| 242 | V | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.2 | -176.7 | -58.5 | 0 | 0 | 0 | 0 | 112 | I244 S263 G264 I266 I273 V294 L296 | V242-I244 HydrophobicContact CG2-CD1 4.3Å; V242-I244 HydrophobicContact CG2-CG1 4.07Å; V242-S263 CarbonylContact O-C 3.48Å; V242-S263 WeakPolarHBondContact O-CA 3.35Å; V242-G264 PolarHBondContact N-O 2.99Å; V242-G264 PolarHBondContact O-N 2.86Å; V242-I266 HydrophobicContact CG1-CD1 3.75Å; V242-I266 HydrophobicContact CG1-CG1 3.89Å; V242-I273 HydrophobicContact CG2-CD1 4.19Å; V242-I273 HydrophobicContact CG2-CG1 4.39Å; V242-I273 HydrophobicContact CG2-CG2 3.89Å; V242-V294 HydrophobicContact CB-CG1 3.76Å; V242-V294 HydrophobicContact CG1-CG1 4.09Å; V242-V294 HydrophobicContact CG2-CG1 3.89Å; V242-L296 HydrophobicContact CB-CD2 4.49Å; V242-L296 HydrophobicContact CG1-CD2 3.46Å; V242-L296 VanDerWaalsContact CG1-CD2 3.46Å |
| 243 | H | 95.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 139 | 167.1 | 177.3 | 68.4 | 0 | 0 | 0 | 109.6 | S261 V294 Q295 S348 P349 | H243-S261 PolarHBondContact CE1-OG 3.41Å; H243-V294 CarbonylContact O-C 3.59Å; H243-V294 WeakPolarHBondContact O-CA 3.46Å; H243-Q295 HydrophobicContact CB-CB 4.29Å; H243-Q295 PolarHBondContact N-O 3.19Å; H243-Q295 PolarHBondContact O-N 3.49Å; H243-S348 WeakPolarHBondContact CB-O 3.4Å; H243-S348 PolarHBondContact ND1-O 3.2Å; H243-P349 PolarHBondContact CE1-O 3.17Å; H243-P349 PolarHBondContact ND1-O 2.76Å |
| 244 | I | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.1 | -178.8 | -57 | -177.1 | 0 | 0 | 0 | 109.5 | V242 S261 G262 I273 T275 V279 V280 L292 V294 I318 | V242-I244 HydrophobicContact CG2-CD1 4.3Å; V242-I244 HydrophobicContact CG2-CG1 4.07Å; I244-S261 WeakPolarHBondContact O-CA 3.27Å; I244-G262 PolarHBondContact N-O 3.13Å; I244-G262 PolarHBondContact O-N 3.5Å; I244-I273 HydrophobicContact CD1-CG2 3.97Å; I244-T275 HydrophobicContact CD1-CG2 3.72Å; I244-V279 HydrophobicContact CB-CG1 3.93Å; I244-V279 HydrophobicContact CG2-CG1 3.78Å; I244-V280 HydrophobicContact CG2-CG1 4.28Å; I244-L292 HydrophobicContact CG2-CD1 3.74Å; I244-L292 HydrophobicContact CG2-CG 4.27Å; I244-V294 HydrophobicContact CG1-CG2 4.4Å; I244-I318 HydrophobicContact CD1-CD1 3.78Å; I244-I318 HydrophobicContact CG1-CD1 4.39Å; I244-I318 HydrophobicContact CG2-CD1 4.35Å |
| 245 | E | 92 | Very high | 87 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119.1 | -173.9 | -175.1 | -176.2 | -158.6 | 0 | 0 | 110.4 | F247 R258 R293 Q295 | E245-F247 HydrophobicContact CG-CD1 4.49Å; E245-R258 HydrophobicContact CG-CG 4.48Å; E245-R258 WeakPolarHBondContact OE1-CD 3.42Å; E245-R258 WeakPolarHBondContact OE1-CG 3.41Å; E245-R293 PolarHBondContact N-O 3.46Å; E245-R293 PolarHBondContact O-N 2.78Å; E245-R293 IonicContact OE1-NH2 2.72Å; E245-R293 PolarHBondContact OE1-NH2 3.23Å; E245-R293 IonicContact OE2-CZ 3.31Å; E245-R293 IonicContact OE2-NE 2.98Å; E245-R293 PolarHBondContact OE2-NE 2.86Å; E245-R293 IonicContact OE2-NH2 2.65Å; E245-R293 PolarHBondContact OE2-NH2 3.46Å; E245-Q295 PolarHBondContact OE2-NE2 3.24Å |
| 246 | L | 90.3 | Very high | 86.3 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.4 | 173.2 | -176.6 | 72.7 | 0 | 0 | 0 | 108.6 | L259 S260 T282 P290 L292 | L246-L259 HydrophobicContact CD2-CB 4.23Å; L246-L259 HydrophobicContact CG-CB 4.32Å; L246-L259 PolarHBondContact O-N 2.04Å; L246-S260 PolarHBondContact N-O 2.78Å; L246-S260 PolarHBondContact O-N 3.47Å; L246-T282 HydrophobicContact CD2-CG2 4.47Å; L246-P290 HydrophobicContact CD1-CB 4Å; L246-L292 HydrophobicContact CB-CD1 3.98Å; L246-L292 HydrophobicContact CD1-CD1 3.92Å |
| 247 | F | 88.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 158.1 | 179.3 | 65 | -86.2 | 0 | 0 | 0 | 112.1 | E245 H256 V257 P290 Q291 R293 | E245-F247 HydrophobicContact CG-CD1 4.49Å; F247-H256 HydrophobicContact CD2-CB 4.03Å; F247-H256 AromaticContact CD2-CD2 3.63Å; F247-H256 AromaticContact CE2-CD2 3.54Å; F247-V257 CarbonylContact C-O 3.58Å; F247-V257 WeakPolarHBondContact CA-O 3.29Å; F247-V257 WeakPolarHBondContact CB-O 3.19Å; F247-P290 WeakPolarHBondContact O-CA 3.41Å; F247-Q291 HydrophobicContact CD2-CB 4.38Å; F247-Q291 HydrophobicContact CE1-CB 4.03Å; F247-Q291 HydrophobicContact CE2-CB 3.77Å; F247-Q291 HydrophobicContact CE2-CG 4.46Å; F247-Q291 HydrophobicContact CZ-CB 3.57Å; F247-Q291 PolarHBondContact N-O 3.26Å; F247-Q291 PolarHBondContact O-N 2.98Å; F247-R293 HydrophobicContact CE1-CB 3.79Å |
| 248 | V | 86.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.3 | 168.6 | 165.3 | 0 | 0 | 0 | 0 | 109.2 | H256 V257 L259 V286 T287 P290 | V248-H256 WeakPolarHBondContact O-CA 3.29Å; V248-V257 PolarHBondContact N-O 3.43Å; V248-V257 PolarHBondContact O-N 3.08Å; V248-L259 HydrophobicContact CB-CD1 4.24Å; V248-L259 HydrophobicContact CG2-CD1 3.52Å; V248-L259 HydrophobicContact CG2-CG 4.36Å; V248-V286 HydrophobicContact CB-CG1 3.87Å; V248-V286 HydrophobicContact CG1-CG1 3.92Å; V248-V286 HydrophobicContact CG2-CB 4.38Å; V248-V286 HydrophobicContact CG2-CG1 3.83Å; V248-T287 WeakPolarHBondContact CG1-O 2.9Å; V248-P290 HydrophobicContact CG2-CB 4.11Å |
| 249 | R | 80.8 | Confident | 84.6 | Confident | 148 Ų | 148 | 63 Ų | 63 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.2 | 168.2 | -169.5 | 173.6 | 178.9 | -175.7 | -5.6 | 109.1 | ||
| 250 | H | 76.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | trans | -63.8 | 125.1 | -177.1 | -168.9 | -62.7 | 0 | 0 | 0 | 110.5 | L252 F253 G254 R255 | H250-L252 PolarHBondContact ND1-N 3.07Å; H250-L252 PolarHBondContact O-N 2.97Å; H250-F253 AromaticContact CE1-CD2 3.5Å; H250-F253 VanDerWaalsContact CE1-CD2 3.5Å; H250-F253 WeakPolarHBondContact CE1-CD2 3.42Å; H250-F253 AromaticContact CE1-CE2 3.86Å; H250-F253 AromaticContact ND1-CD2 3.63Å; H250-F253 AromaticContact NE2-CD2 3.89Å; H250-G254 WeakPolarHBondContact O-CA 3.46Å; H250-G254 PolarHBondContact O-N 2.93Å; H250-R255 PolarHBondContact N-O 3.04Å | ||
| 251 | P | 68.4 | Low | 83.9 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -51.6 | -173.7 | -27.9 | 35.2 | 0 | 0 | 0 | 114 | ||
| 252 | L | 70.5 | Confident | 83.6 | Confident | 148 Ų | 148 | 64.4 Ų | 64.4 | 78% | 0.775 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36.9 | -174.7 | -61 | 172.8 | 0 | 0 | 0 | 114.8 | H250 | H250-L252 PolarHBondContact ND1-N 3.07Å; H250-L252 PolarHBondContact O-N 2.97Å |
| 253 | F | 71.7 | Confident | 83.5 | Confident | 149 Ų | 149 | 64.4 Ų | 64.4 | 65% | 0.654 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -4 | -170.6 | -59.4 | -61.7 | 0 | 0 | 0 | 114.3 | H250 R255 | H250-F253 AromaticContact CE1-CD2 3.5Å; H250-F253 VanDerWaalsContact CE1-CD2 3.5Å; H250-F253 WeakPolarHBondContact CE1-CD2 3.42Å; H250-F253 AromaticContact CE1-CE2 3.86Å; H250-F253 AromaticContact ND1-CD2 3.63Å; H250-F253 AromaticContact NE2-CD2 3.89Å; F253-R255 PolarHBondContact O-N 2.93Å |
| 254 | G | 69.8 | Low | 83.6 | Confident | 32 Ų | 32 | 64 Ų | 64 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | trans | 64.8 | -8.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | H250 | H250-G254 WeakPolarHBondContact O-CA 3.46Å; H250-G254 PolarHBondContact O-N 2.93Å | ||
| 255 | R | 76.1 | Confident | 83.7 | Confident | 198 Ų | 198 | 64 Ų | 64 | 75% | 0.747 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 145.3 | 179.6 | -73.7 | -178.7 | 168.8 | 178.5 | -3.5 | 111.8 | H250 F253 | H250-R255 PolarHBondContact N-O 3.04Å; F253-R255 PolarHBondContact O-N 2.93Å |
| 256 | H | 79.8 | Confident | 84 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121 | 171.8 | -57.5 | 106.7 | 0 | 0 | 0 | 109.8 | F247 V248 | F247-H256 HydrophobicContact CD2-CB 4.03Å; F247-H256 AromaticContact CD2-CD2 3.63Å; F247-H256 AromaticContact CE2-CD2 3.54Å; V248-H256 WeakPolarHBondContact O-CA 3.29Å |
| 257 | V | 82.4 | Confident | 84.3 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.1 | 174.8 | -177 | 0 | 0 | 0 | 0 | 108 | F247 V248 L259 | F247-V257 CarbonylContact C-O 3.58Å; F247-V257 WeakPolarHBondContact CA-O 3.29Å; F247-V257 WeakPolarHBondContact CB-O 3.19Å; V248-V257 PolarHBondContact N-O 3.43Å; V248-V257 PolarHBondContact O-N 3.08Å; V257-L259 HydrophobicContact CG1-CD2 4.23Å |
| 258 | R | 84.1 | Confident | 84.6 | Confident | 166 Ų | 166 | 65.3 Ų | 65.3 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | 176.7 | -60.3 | -174.1 | -65.7 | -174.4 | -1.8 | 109.4 | E245 | E245-R258 HydrophobicContact CG-CG 4.48Å; E245-R258 WeakPolarHBondContact OE1-CD 3.42Å; E245-R258 WeakPolarHBondContact OE1-CG 3.41Å |
| 259 | L | 85 | Confident | 85 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -38.6 | -175.8 | -58.4 | -169.5 | 0 | 0 | 0 | 113 | L246 V248 V257 T282 V286 | L246-L259 HydrophobicContact CD2-CB 4.23Å; L246-L259 HydrophobicContact CG-CB 4.32Å; L246-L259 PolarHBondContact O-N 2.04Å; V248-L259 HydrophobicContact CB-CD1 4.24Å; V248-L259 HydrophobicContact CG2-CD1 3.52Å; V248-L259 HydrophobicContact CG2-CG 4.36Å; V257-L259 HydrophobicContact CG1-CD2 4.23Å; L259-T282 HydrophobicContact CD1-CG2 4.15Å; L259-V286 HydrophobicContact CD1-CB 4.11Å; L259-V286 HydrophobicContact CD1-CG1 4.18Å; L259-V286 HydrophobicContact CD1-CG2 3.73Å; L259-V286 HydrophobicContact CD2-CG1 4.14Å; L259-V286 HydrophobicContact CD2-CG2 3.8Å; L259-V286 HydrophobicContact CG-CG2 4.42Å |
| 260 | S | 86.7 | Confident | 85.4 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.4 | 174.8 | -164.4 | 0 | 0 | 0 | 0 | 109.3 | L246 H278 V279 | L246-S260 PolarHBondContact N-O 2.78Å; L246-S260 PolarHBondContact O-N 3.47Å; S260-H278 PolarHBondContact OG-O 2.88Å; S260-H278 VanDerWaalsContact OG-O 3.07Å; S260-V279 WeakPolarHBondContact CB-O 3.49Å; S260-V279 PolarHBondContact OG-O 2.71Å |
| 261 | S | 88.4 | Confident | 86.3 | Confident | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 137.9 | -175.1 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | H243 I244 | H243-S261 PolarHBondContact CE1-OG 3.41Å; I244-S261 WeakPolarHBondContact O-CA 3.27Å |
| 262 | G | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | -160 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I244 | I244-G262 PolarHBondContact N-O 3.13Å; I244-G262 PolarHBondContact O-N 3.5Å |
| 263 | S | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 168.3 | 179.8 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | V242 T275 G347 S348 G390 S392 G393 | V242-S263 CarbonylContact O-C 3.48Å; V242-S263 WeakPolarHBondContact O-CA 3.35Å; S263-T275 WeakPolarHBondContact O-CB 3.32Å; S263-T275 PolarHBondContact O-OG1 3.07Å; S263-G347 WeakPolarHBondContact OG-CA 3.15Å; S263-S348 PolarHBondContact OG-N 2.93Å; S263-G390 PolarHBondContact OG-O 2.76Å; S263-S392 WeakPolarHBondContact CB-O 3.33Å; S263-S392 PolarHBondContact N-O 3.45Å; S263-G393 CarbonylContact O-C 3.42Å; S263-G393 VanDerWaalsContact O-CA 3.28Å; S263-G393 WeakPolarHBondContact O-CA 3.47Å |
| 264 | G | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | -177.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V242 V274 G393 | V242-G264 PolarHBondContact N-O 2.99Å; V242-G264 PolarHBondContact O-N 2.86Å; G264-V274 WeakPolarHBondContact CA-O 3.21Å; G264-G393 WeakPolarHBondContact CA-O 3.43Å |
| 265 | F | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147 | 174.5 | 56.8 | -80.2 | 0 | 0 | 0 | 111.9 | A240 V267 I273 V274 L329 L331 P395 V403 I406 I424 | A240-F265 WeakPolarHBondContact O-CA 3.04Å; F265-V267 HydrophobicContact CD2-CG1 3.65Å; F265-V267 HydrophobicContact CE2-CG1 3.46Å; F265-V267 VanDerWaalsContact CE2-CG1 3.46Å; F265-I273 CarbonylContact O-C 3.5Å; F265-I273 VanDerWaalsContact O-CA 3.27Å; F265-I273 WeakPolarHBondContact O-CA 3.08Å; F265-V274 HydrophobicContact CE1-CB 3.96Å; F265-V274 HydrophobicContact CE1-CG1 3.79Å; F265-V274 HydrophobicContact CE2-CB 3.95Å; F265-V274 HydrophobicContact CE2-CG1 4.31Å; F265-V274 HydrophobicContact CZ-CB 3.64Å; F265-V274 HydrophobicContact CZ-CG1 3.53Å; F265-V274 PolarHBondContact N-O 3.38Å; F265-V274 PolarHBondContact O-N 3.43Å; F265-L329 HydrophobicContact CB-CD1 3.99Å; F265-L329 HydrophobicContact CD2-CD1 4.37Å; F265-L329 HydrophobicContact CG-CD1 4.42Å; F265-L331 HydrophobicContact CE2-CD2 4Å; F265-P395 HydrophobicContact CB-CB 4.36Å; F265-P395 HydrophobicContact CB-CG 3.93Å; F265-P395 HydrophobicContact CD1-CB 3.7Å; F265-P395 HydrophobicContact CD1-CG 4.01Å; F265-P395 HydrophobicContact CD2-CB 4.48Å; F265-P395 HydrophobicContact CE1-CB 4.06Å; F265-P395 HydrophobicContact CG-CB 3.93Å; F265-P395 HydrophobicContact CG-CG 4.05Å; F265-V403 HydrophobicContact CD2-CG2 3.92Å; F265-V403 HydrophobicContact CE1-CG1 4.37Å; F265-V403 HydrophobicContact CE2-CB 4.23Å; F265-V403 HydrophobicContact CE2-CG1 3.88Å; F265-V403 HydrophobicContact CE2-CG2 3.85Å; F265-V403 HydrophobicContact CZ-CG1 3.74Å; F265-V403 HydrophobicContact CZ-CG2 4.48Å; F265-I406 HydrophobicContact CE1-CG1 4.24Å; F265-I406 HydrophobicContact CZ-CG1 4.4Å; F265-I424 HydrophobicContact CZ-CD1 4.25Å |
| 266 | I | 98 | Very high | 92.2 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.8 | -176.2 | -57.2 | 155.5 | 0 | 0 | 0 | 109.2 | A240 V242 T268 I273 L296 L326 H327 V328 L329 | A240-I266 PolarHBondContact O-N 2.92Å; V242-I266 HydrophobicContact CG1-CD1 3.75Å; V242-I266 HydrophobicContact CG1-CG1 3.89Å; I266-T268 VanDerWaalsContact CG2-O 3.25Å; I266-T268 WeakPolarHBondContact CG2-O 3.19Å; I266-I273 HydrophobicContact CB-CG1 4.33Å; I266-I273 HydrophobicContact CG1-CD1 4.27Å; I266-I273 HydrophobicContact CG1-CG1 3.68Å; I266-L296 HydrophobicContact CD1-CD2 4.13Å; I266-L326 HydrophobicContact CD1-CB 4.25Å; I266-L326 HydrophobicContact CD1-CD1 3.99Å; I266-L326 HydrophobicContact CG1-CD1 4.43Å; I266-L326 HydrophobicContact CG2-CB 4.25Å; I266-L326 HydrophobicContact CG2-CD1 4.04Å; I266-H327 WeakPolarHBondContact CB-O 3.29Å; I266-H327 WeakPolarHBondContact CG2-O 3.08Å; I266-V328 HydrophobicContact CG2-CG1 4.13Å; I266-V328 VanDerWaalsContact O-CA 3.3Å; I266-V328 WeakPolarHBondContact O-CA 3.46Å; I266-L329 PolarHBondContact O-N 3.38Å |
| 267 | V | 96.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 16% | 0.158 | 15% | 0.154 | C | C | . | . | trans | -104.4 | -11.8 | 179.3 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | F265 V272 V274 L331 L428 | F265-V267 HydrophobicContact CD2-CG1 3.65Å; F265-V267 HydrophobicContact CE2-CG1 3.46Å; F265-V267 VanDerWaalsContact CE2-CG1 3.46Å; V267-V272 HydrophobicContact CG2-CB 4.16Å; V267-V272 HydrophobicContact CG2-CG1 3.86Å; V267-V272 WeakPolarHBondContact CG2-O 3.07Å; V267-V272 PolarHBondContact N-O 3.16Å; V267-V274 HydrophobicContact CB-CG2 4.47Å; V267-V274 HydrophobicContact CG1-CB 4.27Å; V267-V274 HydrophobicContact CG1-CG2 3.77Å; V267-V274 HydrophobicContact CG2-CG2 3.84Å; V267-L331 HydrophobicContact CG1-CD2 4.43Å; V267-L428 HydrophobicContact CG2-CD2 4.44Å | ||
| 268 | T | 94.9 | Very high | 93.1 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -137.8 | 145.9 | 171.6 | 73.4 | 0 | 0 | 0 | 0 | 113.1 | I266 S270 G271 V272 V328 | I266-T268 VanDerWaalsContact CG2-O 3.25Å; I266-T268 WeakPolarHBondContact CG2-O 3.19Å; T268-S270 PolarHBondContact O-N 3.28Å; T268-S270 PolarHBondContact OG1-OG 3.35Å; T268-G271 PolarHBondContact O-N 3.5Å; T268-V272 HydrophobicContact CG2-CB 4.07Å; T268-V272 HydrophobicContact CG2-CG2 4.29Å; T268-V272 PolarHBondContact N-O 3Å; T268-V272 VanDerWaalsContact OG1-CB 3.28Å; T268-V272 WeakPolarHBondContact OG1-CB 3.29Å; T268-V272 WeakPolarHBondContact OG1-CG2 3.41Å; T268-V272 PolarHBondContact OG1-N 3.23Å; T268-V272 VanDerWaalsContact OG1-N 3.1Å; T268-V328 VanDerWaalsContact C-CG1 3.44Å |
| 269 | H | 93.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 20.9 Ų | 20.9 | 44% | 0.435 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.4 | 172.8 | -62.4 | 107.1 | 0 | 0 | 0 | 113.7 | G271 K325 L326 V328 | H269-G271 VanDerWaalsContact C-N 3.32Å; H269-K325 HydrophobicContact CB-CG 4.43Å; H269-K325 WeakPolarHBondContact CD2-CE 3.18Å; H269-K325 WeakPolarHBondContact NE2-CE 3.3Å; H269-L326 PolarHBondContact CD2-O 3.27Å; H269-L326 VanDerWaalsContact CD2-O 3.28Å; H269-V328 HydrophobicContact CB-CG1 4.47Å |
| 270 | S | 89.8 | Confident | 93.6 | Very high | 66 Ų | 66 | 19 Ų | 19 | 46% | 0.462 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | T268 K319 | T268-S270 PolarHBondContact O-N 3.28Å; T268-S270 PolarHBondContact OG1-OG 3.35Å; S270-K319 WeakPolarHBondContact O-CE 3.27Å; S270-K319 PolarHBondContact O-NZ 2.94Å |
| 271 | G | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 87.6 | 27.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | T268 H269 K319 I320 | T268-G271 PolarHBondContact O-N 3.5Å; H269-G271 VanDerWaalsContact C-N 3.32Å; G271-K319 WeakPolarHBondContact O-CA 3.38Å; G271-I320 WeakPolarHBondContact O-CG1 3.19Å; G271-I320 PolarHBondContact O-N 2.67Å | ||
| 272 | V | 95.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.03 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.1 | 164.1 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | V267 T268 T317 I318 K319 | V267-V272 HydrophobicContact CG2-CB 4.16Å; V267-V272 HydrophobicContact CG2-CG1 3.86Å; V267-V272 WeakPolarHBondContact CG2-O 3.07Å; V267-V272 PolarHBondContact N-O 3.16Å; T268-V272 HydrophobicContact CG2-CB 4.07Å; T268-V272 HydrophobicContact CG2-CG2 4.29Å; T268-V272 PolarHBondContact N-O 3Å; T268-V272 VanDerWaalsContact OG1-CB 3.28Å; T268-V272 WeakPolarHBondContact OG1-CB 3.29Å; T268-V272 WeakPolarHBondContact OG1-CG2 3.41Å; T268-V272 PolarHBondContact OG1-N 3.23Å; T268-V272 VanDerWaalsContact OG1-N 3.1Å; V272-T317 HydrophobicContact CG1-CG2 4.33Å; V272-I318 WeakPolarHBondContact CA-O 3.48Å; V272-K319 HydrophobicContact CG2-CD 4.07Å |
| 273 | I | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.9 | 179.9 | -71 | 152.7 | 0 | 0 | 0 | 108.7 | V242 I244 F265 I266 V294 T317 I318 I320 | V242-I273 HydrophobicContact CG2-CD1 4.19Å; V242-I273 HydrophobicContact CG2-CG1 4.39Å; V242-I273 HydrophobicContact CG2-CG2 3.89Å; I244-I273 HydrophobicContact CD1-CG2 3.97Å; F265-I273 CarbonylContact O-C 3.5Å; F265-I273 VanDerWaalsContact O-CA 3.27Å; F265-I273 WeakPolarHBondContact O-CA 3.08Å; I266-I273 HydrophobicContact CB-CG1 4.33Å; I266-I273 HydrophobicContact CG1-CD1 4.27Å; I266-I273 HydrophobicContact CG1-CG1 3.68Å; I273-V294 HydrophobicContact CD1-CB 4.49Å; I273-V294 HydrophobicContact CD1-CG1 3.77Å; I273-V294 HydrophobicContact CD1-CG2 4.09Å; I273-T317 VanDerWaalsContact O-CA 3.32Å; I273-T317 WeakPolarHBondContact O-CA 3.43Å; I273-I318 HydrophobicContact CB-CD1 4.33Å; I273-I318 HydrophobicContact CB-CG1 3.7Å; I273-I318 HydrophobicContact CD1-CG1 4.46Å; I273-I318 HydrophobicContact CG2-CD1 4.1Å; I273-I318 HydrophobicContact CG2-CG1 3.91Å; I273-I318 PolarHBondContact N-O 3.35Å; I273-I318 PolarHBondContact O-N 3.06Å; I273-I320 HydrophobicContact CD1-CD1 3.88Å; I273-I320 HydrophobicContact CD1-CG1 3.87Å; I273-I320 HydrophobicContact CD1-CG2 4.21Å |
| 274 | V | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 143.5 | 170.9 | 172.3 | 0 | 0 | 0 | 0 | 109.4 | G264 F265 V267 I315 T317 I406 I424 L428 | G264-V274 WeakPolarHBondContact CA-O 3.21Å; F265-V274 HydrophobicContact CE1-CB 3.96Å; F265-V274 HydrophobicContact CE1-CG1 3.79Å; F265-V274 HydrophobicContact CE2-CB 3.95Å; F265-V274 HydrophobicContact CE2-CG1 4.31Å; F265-V274 HydrophobicContact CZ-CB 3.64Å; F265-V274 HydrophobicContact CZ-CG1 3.53Å; F265-V274 PolarHBondContact N-O 3.38Å; F265-V274 PolarHBondContact O-N 3.43Å; V267-V274 HydrophobicContact CB-CG2 4.47Å; V267-V274 HydrophobicContact CG1-CB 4.27Å; V267-V274 HydrophobicContact CG1-CG2 3.77Å; V267-V274 HydrophobicContact CG2-CG2 3.84Å; V274-I315 HydrophobicContact CG1-CG2 4.48Å; V274-T317 HydrophobicContact CG2-CG2 3.95Å; V274-I406 HydrophobicContact CG1-CD1 3.48Å; V274-I406 VanDerWaalsContact CG1-CD1 3.48Å; V274-I406 HydrophobicContact CG1-CG1 4.15Å; V274-I424 HydrophobicContact CG1-CG2 3.93Å; V274-I424 HydrophobicContact CG2-CG2 4.12Å; V274-L428 HydrophobicContact CG2-CD1 4.46Å; V274-L428 HydrophobicContact CG2-CD2 4.2Å |
| 275 | T | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | -176.4 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | I244 S263 V280 A316 | I244-T275 HydrophobicContact CD1-CG2 3.72Å; S263-T275 WeakPolarHBondContact O-CB 3.32Å; S263-T275 PolarHBondContact O-OG1 3.07Å; T275-V280 HydrophobicContact CG2-CG1 3.54Å; T275-A316 HydrophobicContact CG2-CB 4.35Å; T275-A316 PolarHBondContact N-O 2.9Å; T275-A316 VanDerWaalsContact N-O 3.13Å; T275-A316 PolarHBondContact O-N 3.49Å; T275-A316 VanDerWaalsContact O-O 3.11Å |
| 276 | N | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 156.6 | 174.3 | -70.7 | 117.9 | 0 | 0 | 0 | 113.4 | H278 V279 D314 G393 N407 T408 I419 | N276-H278 VanDerWaalsContact C-N 3.32Å; N276-H278 VanDerWaalsContact CB-CE1 3.48Å; N276-H278 WeakPolarHBondContact CB-CE1 3.42Å; N276-H278 WeakPolarHBondContact CB-ND1 3.47Å; N276-H278 PolarHBondContact O-N 3.01Å; N276-V279 HydrophobicContact CB-CG2 4.13Å; N276-V279 PolarHBondContact O-N 3.34Å; N276-D314 WeakPolarHBondContact CA-O 3.42Å; N276-D314 PolarHBondContact ND2-O 3.37Å; N276-D314 PolarHBondContact ND2-OD2 2.94Å; N276-G393 WeakPolarHBondContact OD1-CA 3.2Å; N276-G393 PolarHBondContact OD1-N 2.68Å; N276-N407 PolarHBondContact OD1-O 2.88Å; N276-T408 WeakPolarHBondContact ND2-CG2 3.45Å; N276-I419 VanDerWaalsContact ND2-CD1 3.33Å; N276-I419 WeakPolarHBondContact ND2-CD1 3.37Å |
| 277 | A | 91.9 | Very high | 84.3 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -35.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V279 V280 T281 V309 D314 | A277-V279 VanDerWaalsContact C-N 3.28Å; A277-V279 PolarHBondContact O-N 3.07Å; A277-V280 PolarHBondContact O-N 2.68Å; A277-T281 WeakPolarHBondContact O-CB 3.33Å; A277-T281 WeakPolarHBondContact O-CG2 3.27Å; A277-T281 PolarHBondContact O-N 3.24Å; A277-T281 PolarHBondContact O-OG1 2.89Å; A277-V309 HydrophobicContact CB-CG1 3.49Å; A277-V309 VanDerWaalsContact CB-CG1 3.49Å; A277-D314 WeakPolarHBondContact CA-OD1 3.42Å; A277-D314 VanDerWaalsContact CB-OD1 3.25Å; A277-D314 WeakPolarHBondContact CB-OD1 3.24Å; A277-D314 PolarHBondContact N-O 3.3Å; A277-D314 VanDerWaalsContact N-O 3.16Å; A277-D314 PolarHBondContact N-OD1 3.02Å |
| 278 | H | 88.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 33.8 Ų | 33.8 | 33% | 0.329 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.3 | -21.4 | 177.3 | 75.4 | -101.3 | 0 | 0 | 0 | 114.3 | S260 N276 D314 S392 | S260-H278 PolarHBondContact OG-O 2.88Å; S260-H278 VanDerWaalsContact OG-O 3.07Å; N276-H278 VanDerWaalsContact C-N 3.32Å; N276-H278 VanDerWaalsContact CB-CE1 3.48Å; N276-H278 WeakPolarHBondContact CB-CE1 3.42Å; N276-H278 WeakPolarHBondContact CB-ND1 3.47Å; N276-H278 PolarHBondContact O-N 3.01Å; H278-D314 IonicContact CE1-OD2 3.61Å; H278-D314 PolarHBondContact CE1-OD2 3.43Å; H278-D314 IonicContact CG-OD1 3.48Å; H278-D314 IonicContact CG-OD2 2.66Å; H278-D314 PolarHBondContact N-OD1 3.49Å; H278-D314 IonicContact ND1-OD1 2.82Å; H278-D314 PolarHBondContact ND1-OD1 3.13Å; H278-D314 IonicContact ND1-OD2 3.14Å; H278-D314 PolarHBondContact ND1-OD2 2.92Å; H278-S392 PolarHBondContact CE1-OG 3.49Å; H278-S392 PolarHBondContact NE2-OG 2.95Å |
| 279 | V | 89.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.5 | -33.3 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | I244 S260 N276 A277 | I244-V279 HydrophobicContact CB-CG1 3.93Å; I244-V279 HydrophobicContact CG2-CG1 3.78Å; S260-V279 WeakPolarHBondContact CB-O 3.49Å; S260-V279 PolarHBondContact OG-O 2.71Å; N276-V279 HydrophobicContact CB-CG2 4.13Å; N276-V279 PolarHBondContact O-N 3.34Å; A277-V279 VanDerWaalsContact C-N 3.28Å; A277-V279 PolarHBondContact O-N 3.07Å |
| 280 | V | 90.5 | Very high | 81.4 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -108.6 | -1 | -174.1 | -53.4 | 0 | 0 | 0 | 0 | 114.3 | I244 T275 A277 L292 V306 A316 I318 | I244-V280 HydrophobicContact CG2-CG1 4.28Å; T275-V280 HydrophobicContact CG2-CG1 3.54Å; A277-V280 PolarHBondContact O-N 2.68Å; V280-L292 HydrophobicContact CB-CD1 4.42Å; V280-L292 HydrophobicContact CB-CD2 4.31Å; V280-L292 HydrophobicContact CG1-CD1 4.21Å; V280-L292 HydrophobicContact CG1-CD2 3.96Å; V280-V306 HydrophobicContact CB-CG2 4.18Å; V280-V306 HydrophobicContact CG2-CG2 4.28Å; V280-A316 HydrophobicContact CG2-CB 3.42Å; V280-A316 VanDerWaalsContact CG2-CB 3.42Å; V280-I318 HydrophobicContact CB-CG2 4.46Å; V280-I318 HydrophobicContact CG1-CG2 3.84Å |
| 281 | T | 84.8 | Confident | 81.3 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 23% | 0.233 | 21% | 0.206 | C | C | . | . | trans | -119 | 160.4 | 173.7 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | A277 | A277-T281 WeakPolarHBondContact O-CB 3.33Å; A277-T281 WeakPolarHBondContact O-CG2 3.27Å; A277-T281 PolarHBondContact O-N 3.24Å; A277-T281 PolarHBondContact O-OG1 2.89Å | ||
| 282 | T | 73.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 23% | 0.233 | 21% | 0.208 | C | C | . | . | trans | -130.7 | 144 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 109 | L246 L259 G284 | L246-T282 HydrophobicContact CD2-CG2 4.47Å; L259-T282 HydrophobicContact CD1-CG2 4.15Å; T282-G284 PolarHBondContact OG1-N 2.86Å | ||
| 283 | T | 61.2 | Low | 81.1 | Confident | 154 Ų | 154 | 41 Ų | 41 | 95% | 0.945 | 22% | 0.224 | S | C | * | . | trans | -86.7 | -25.2 | 174.4 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 284 | G | 58.4 | Low | 81 | Confident | 20 Ų | 20 | 41 Ų | 41 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -77.7 | 149.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T282 V286 | T282-G284 PolarHBondContact OG1-N 2.86Å; G284-V286 VanDerWaalsContact C-N 3.28Å; G284-V286 PolarHBondContact O-N 2.87Å |
| 285 | T | 55.7 | Low | 80.8 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | trans | -74.8 | 73 | 172.1 | 35.5 | 0 | 0 | 0 | 0 | 112.3 | I466 L472 L476 L491 | T285-I466 HydrophobicContact CG2-CD1 3.78Å; T285-L472 HydrophobicContact CG2-CD1 3.83Å; T285-L476 HydrophobicContact CG2-CD2 4.23Å; T285-L476 WeakPolarHBondContact OG1-CD2 3.34Å; T285-L491 HydrophobicContact CG2-CD2 3.86Å | ||
| 286 | V | 61.4 | Low | 80.7 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | trans | -85 | 134.8 | 174.4 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | V248 L259 G284 Q493 | V248-V286 HydrophobicContact CB-CG1 3.87Å; V248-V286 HydrophobicContact CG1-CG1 3.92Å; V248-V286 HydrophobicContact CG2-CB 4.38Å; V248-V286 HydrophobicContact CG2-CG1 3.83Å; L259-V286 HydrophobicContact CD1-CB 4.11Å; L259-V286 HydrophobicContact CD1-CG1 4.18Å; L259-V286 HydrophobicContact CD1-CG2 3.73Å; L259-V286 HydrophobicContact CD2-CG1 4.14Å; L259-V286 HydrophobicContact CD2-CG2 3.8Å; L259-V286 HydrophobicContact CG-CG2 4.42Å; G284-V286 VanDerWaalsContact C-N 3.28Å; G284-V286 PolarHBondContact O-N 2.87Å; V286-Q493 PolarHBondContact O-NE2 2.9Å; V286-Q493 VanDerWaalsContact O-NE2 3.17Å | ||
| 287 | T | 63.3 | Low | 80.4 | Confident | 92 Ų | 92 | 46.6 Ų | 46.6 | 56% | 0.564 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -89.1 | 123.5 | 178 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | V248 | V248-T287 WeakPolarHBondContact CG1-O 2.9Š|
| 288 | G | 67.4 | Low | 80.2 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 22% | 0.216 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 118.2 | -177.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 289 | R | 74.1 | Confident | 80.2 | Confident | 143 Ų | 143 | 48.8 Ų | 48.8 | 54% | 0.54 | 27% | 0.272 | S | S | . | . | trans | -93.8 | 128.1 | 178.6 | -57.5 | -157.3 | -147.1 | 128.1 | 38 | 111 | Q494 | R289-Q494 HydrophobicContact CG-CG 4.39Š| ||
| 290 | P | 81.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 130.9 | 168.6 | 28.2 | -32 | 0 | 0 | 0 | 109.8 | L246 F247 V248 | L246-P290 HydrophobicContact CD1-CB 4Å; F247-P290 WeakPolarHBondContact O-CA 3.41Å; V248-P290 HydrophobicContact CG2-CB 4.11Å |
| 291 | Q | 88.1 | Confident | 80.4 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.4 | 169.3 | -66.5 | -174 | -89.7 | 0 | 0 | 108.7 | F247 E303 | F247-Q291 HydrophobicContact CD2-CB 4.38Å; F247-Q291 HydrophobicContact CE1-CB 4.03Å; F247-Q291 HydrophobicContact CE2-CB 3.77Å; F247-Q291 HydrophobicContact CE2-CG 4.46Å; F247-Q291 HydrophobicContact CZ-CB 3.57Å; F247-Q291 PolarHBondContact N-O 3.26Å; F247-Q291 PolarHBondContact O-N 2.98Å; Q291-E303 PolarHBondContact NE2-OE1 3.5Å |
| 292 | L | 92.7 | Very high | 80.9 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.9 | 179.7 | -168.7 | 73.4 | 0 | 0 | 0 | 108.9 | I244 L246 V280 A304 V306 I318 | I244-L292 HydrophobicContact CG2-CD1 3.74Å; I244-L292 HydrophobicContact CG2-CG 4.27Å; L246-L292 HydrophobicContact CB-CD1 3.98Å; L246-L292 HydrophobicContact CD1-CD1 3.92Å; V280-L292 HydrophobicContact CB-CD1 4.42Å; V280-L292 HydrophobicContact CB-CD2 4.31Å; V280-L292 HydrophobicContact CG1-CD1 4.21Å; V280-L292 HydrophobicContact CG1-CD2 3.96Å; L292-A304 HydrophobicContact CB-CB 4.36Å; L292-A304 HydrophobicContact CD2-CB 3.99Å; L292-A304 HydrophobicContact CG-CB 4.23Å; L292-A304 PolarHBondContact O-N 3.25Å; L292-V306 HydrophobicContact CD2-CG2 4.2Å; L292-I318 HydrophobicContact CD2-CB 4.17Å; L292-I318 HydrophobicContact CD2-CD1 3.73Å; L292-I318 HydrophobicContact CD2-CG2 3.75Å |
| 293 | R | 94.3 | Very high | 81.9 | Confident | 94 Ų | 94 | 58 Ų | 58 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.2 | 175.4 | 171.2 | 166.2 | 67.5 | 174.8 | 3 | 109.7 | E245 F247 Q295 Y302 | E245-R293 PolarHBondContact N-O 3.46Å; E245-R293 PolarHBondContact O-N 2.78Å; E245-R293 IonicContact OE1-NH2 2.72Å; E245-R293 PolarHBondContact OE1-NH2 3.23Å; E245-R293 IonicContact OE2-CZ 3.31Å; E245-R293 IonicContact OE2-NE 2.98Å; E245-R293 PolarHBondContact OE2-NE 2.86Å; E245-R293 IonicContact OE2-NH2 2.65Å; E245-R293 PolarHBondContact OE2-NH2 3.46Å; F247-R293 HydrophobicContact CE1-CB 3.79Å; R293-Q295 HydrophobicContact CG-CG 3.92Å; R293-Y302 WeakPolarHBondContact CA-O 3.46Å |
| 294 | V | 95.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.4 | 169.2 | 174.2 | 0 | 0 | 0 | 0 | 107.8 | V242 H243 I244 I273 L296 A301 Y302 A304 I318 I320 | V242-V294 HydrophobicContact CB-CG1 3.76Å; V242-V294 HydrophobicContact CG1-CG1 4.09Å; V242-V294 HydrophobicContact CG2-CG1 3.89Å; H243-V294 CarbonylContact O-C 3.59Å; H243-V294 WeakPolarHBondContact O-CA 3.46Å; I244-V294 HydrophobicContact CG1-CG2 4.4Å; I273-V294 HydrophobicContact CD1-CB 4.49Å; I273-V294 HydrophobicContact CD1-CG1 3.77Å; I273-V294 HydrophobicContact CD1-CG2 4.09Å; V294-L296 HydrophobicContact CG1-CD2 4.26Å; V294-A301 CarbonylContact O-C 3.53Å; V294-A301 WeakPolarHBondContact O-CA 3.21Å; V294-Y302 PolarHBondContact N-O 2.85Å; V294-Y302 PolarHBondContact O-N 3.31Å; V294-A304 HydrophobicContact CG2-CB 3.72Å; V294-I318 HydrophobicContact CG2-CD1 3.54Å; V294-I320 HydrophobicContact CB-CG2 3.84Å; V294-I320 HydrophobicContact CG1-CD1 4.49Å; V294-I320 HydrophobicContact CG1-CG2 4.37Å; V294-I320 HydrophobicContact CG2-CG2 3.78Å |
| 295 | Q | 94.8 | Very high | 85.2 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.2 | 174.3 | -51.2 | -174.9 | 58.7 | 0 | 0 | 108.8 | H243 E245 R293 D300 A301 A351 | H243-Q295 HydrophobicContact CB-CB 4.29Å; H243-Q295 PolarHBondContact N-O 3.19Å; H243-Q295 PolarHBondContact O-N 3.49Å; E245-Q295 PolarHBondContact OE2-NE2 3.24Å; R293-Q295 HydrophobicContact CG-CG 3.92Å; Q295-D300 WeakPolarHBondContact CA-O 3.34Å; Q295-A301 HydrophobicContact CG-CB 4.2Å; Q295-A351 HydrophobicContact CB-CB 4.44Å |
| 296 | L | 93.4 | Very high | 87 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 164.6 | -178 | -58.6 | -167.2 | 0 | 0 | 0 | 111.7 | V242 I266 V294 D298 G299 D300 Y302 I320 L326 | V242-L296 HydrophobicContact CB-CD2 4.49Å; V242-L296 HydrophobicContact CG1-CD2 3.46Å; V242-L296 VanDerWaalsContact CG1-CD2 3.46Å; I266-L296 HydrophobicContact CD1-CD2 4.13Å; V294-L296 HydrophobicContact CG1-CD2 4.26Å; L296-D298 WeakPolarHBondContact CB-OD1 3.39Å; L296-D298 PolarHBondContact O-N 2.91Å; L296-D298 VanDerWaalsContact O-N 3.16Å; L296-G299 PolarHBondContact O-N 2.84Å; L296-D300 HydrophobicContact CB-CB 4.32Å; L296-D300 HydrophobicContact CD1-CB 4.09Å; L296-D300 HydrophobicContact CG-CB 4.19Å; L296-D300 PolarHBondContact N-O 3.17Å; L296-Y302 HydrophobicContact CD1-CD2 4.31Å; L296-Y302 HydrophobicContact CD1-CE2 3.65Å; L296-Y302 HydrophobicContact CG-CD2 4.15Å; L296-Y302 HydrophobicContact CG-CE2 3.94Å; L296-I320 HydrophobicContact CD2-CD1 4.25Å; L296-L326 HydrophobicContact CD1-CD2 3.69Å |
| 297 | H | 88.4 | Confident | 88.4 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.8 | 174.2 | 179.8 | -84.8 | 0 | 0 | 0 | 114.1 | L352 | H297-L352 WeakPolarHBondContact O-CD2 3.38Š|
| 298 | D | 87.6 | Confident | 89.7 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.3 | 177.3 | 57.7 | 19.9 | 0 | 0 | 0 | 114.4 | L296 D300 K324 | L296-D298 WeakPolarHBondContact CB-OD1 3.39Å; L296-D298 PolarHBondContact O-N 2.91Å; L296-D298 VanDerWaalsContact O-N 3.16Å; D298-D300 PolarHBondContact OD1-N 3.16Å; D298-K324 IonicContact OD1-NZ 2.73Å; D298-K324 WeakPolarHBondContact OD2-CE 3.28Å; D298-K324 IonicContact OD2-NZ 2.93Å; D298-K324 PolarHBondContact OD2-NZ 3.02Å |
| 299 | G | 88.3 | Confident | 90.9 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 91.3 | -4.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L296 A301 | L296-G299 PolarHBondContact O-N 2.84Å; G299-A301 PolarHBondContact O-N 2.81Å |
| 300 | D | 90.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | trans | -60 | 130.1 | 172 | -81.8 | 10.4 | 0 | 0 | 0 | 110.3 | Q295 L296 D298 Y302 K324 | Q295-D300 WeakPolarHBondContact CA-O 3.34Å; L296-D300 HydrophobicContact CB-CB 4.32Å; L296-D300 HydrophobicContact CD1-CB 4.09Å; L296-D300 HydrophobicContact CG-CB 4.19Å; L296-D300 PolarHBondContact N-O 3.17Å; D298-D300 PolarHBondContact OD1-N 3.16Å; D300-Y302 HydrophobicContact CB-CD2 4.24Å; D300-Y302 HydrophobicContact CB-CE2 3.44Å; D300-Y302 VanDerWaalsContact CB-CE2 3.44Å; D300-Y302 PolarHBondContact OD2-OH 2.97Å; D300-K324 IonicContact OD1-NZ 2.81Å; D300-K324 PolarHBondContact OD1-NZ 2.9Å; D300-K324 VanDerWaalsContact OD2-CE 3.27Å; D300-K324 WeakPolarHBondContact OD2-CE 3.16Å; D300-K324 IonicContact OD2-NZ 3.58Å; D300-K324 PolarHBondContact OD2-NZ 2.85Å | ||
| 301 | A | 92.9 | Very high | 91.9 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V294 Q295 G299 | V294-A301 CarbonylContact O-C 3.53Å; V294-A301 WeakPolarHBondContact O-CA 3.21Å; Q295-A301 HydrophobicContact CG-CB 4.2Å; G299-A301 PolarHBondContact O-N 2.81Å |
| 302 | Y | 94.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.7 | 180 | -65.2 | -87.5 | 0 | 0 | 0 | 111 | R293 V294 L296 D300 I320 P322 | R293-Y302 WeakPolarHBondContact CA-O 3.46Å; V294-Y302 PolarHBondContact N-O 2.85Å; V294-Y302 PolarHBondContact O-N 3.31Å; L296-Y302 HydrophobicContact CD1-CD2 4.31Å; L296-Y302 HydrophobicContact CD1-CE2 3.65Å; L296-Y302 HydrophobicContact CG-CD2 4.15Å; L296-Y302 HydrophobicContact CG-CE2 3.94Å; D300-Y302 HydrophobicContact CB-CD2 4.24Å; D300-Y302 HydrophobicContact CB-CE2 3.44Å; D300-Y302 VanDerWaalsContact CB-CE2 3.44Å; D300-Y302 PolarHBondContact OD2-OH 2.97Å; Y302-I320 HydrophobicContact CD2-CD1 4.04Å; Y302-I320 HydrophobicContact CG-CB 4.34Å; Y302-I320 HydrophobicContact CG-CD1 4.2Å; Y302-P322 HydrophobicContact CE1-CB 4.43Å |
| 303 | E | 94.8 | Very high | 91.3 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 138.3 | 162.5 | -173 | 168.6 | -142.6 | 0 | 0 | 109.4 | Q291 | Q291-E303 PolarHBondContact NE2-OE1 3.5Å |
| 304 | A | 95.8 | Very high | 91 | Very high | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L292 V294 I318 K319 I320 | L292-A304 HydrophobicContact CB-CB 4.36Å; L292-A304 HydrophobicContact CD2-CB 3.99Å; L292-A304 HydrophobicContact CG-CB 4.23Å; L292-A304 PolarHBondContact O-N 3.25Å; V294-A304 HydrophobicContact CG2-CB 3.72Å; A304-I318 HydrophobicContact CB-CD1 4.14Å; A304-K319 WeakPolarHBondContact CA-O 3.46Å; A304-I320 HydrophobicContact CB-CG2 3.66Å |
| 305 | A | 93 | Very high | 90.9 | Very high | 62 Ų | 62 | 56 Ų | 56 | 51% | 0.512 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | I318 K319 | A305-I318 CarbonylContact O-C 3.12Å; A305-I318 VanDerWaalsContact O-CA 3.27Å; A305-I318 WeakPolarHBondContact O-CA 3.4Å; A305-K319 PolarHBondContact N-O 2.9Å; A305-K319 PolarHBondContact O-N 3.36Å |
| 306 | V | 92.9 | Very high | 91 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 131.6 | 168.4 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | V280 L292 V309 I318 | V280-V306 HydrophobicContact CB-CG2 4.18Å; V280-V306 HydrophobicContact CG2-CG2 4.28Å; L292-V306 HydrophobicContact CD2-CG2 4.2Å; V306-V309 HydrophobicContact CG1-CG2 3.42Å; V306-V309 VanDerWaalsContact CG1-CG2 3.42Å; V306-I318 HydrophobicContact CG2-CG2 4.18Å |
| 307 | R | 90.8 | Very high | 91.1 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -45.8 | -176.4 | -178 | -177.9 | -179.3 | -177.7 | -0.7 | 112.8 | T317 | R307-T317 PolarHBondContact N-O 2.97Å |
| 308 | D | 92.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 150.6 | -178.3 | -152.8 | -19.7 | 0 | 0 | 0 | 109.1 | A316 T317 F427 S431 K434 | D308-A316 WeakPolarHBondContact O-CA 3.47Å; D308-T317 PolarHBondContact N-O 3.39Å; D308-T317 PolarHBondContact O-N 3.44Å; D308-F427 HydrophobicContact CB-CE2 4.4Å; D308-F427 HydrophobicContact CB-CZ 3.88Å; D308-S431 VanDerWaalsContact CB-OG 3.23Å; D308-S431 WeakPolarHBondContact CB-OG 3.48Å; D308-S431 WeakPolarHBondContact OD2-CA 3.46Å; D308-S431 WeakPolarHBondContact OD2-CB 3.3Å; D308-S431 PolarHBondContact OD2-OG 3.29Å; D308-K434 VanDerWaalsContact CG-NZ 3.29Å; D308-K434 IonicContact OD1-NZ 2.7Å; D308-K434 PolarHBondContact OD1-NZ 2.7Å; D308-K434 VanDerWaalsContact OD1-NZ 3.07Å; D308-K434 IonicContact OD2-NZ 3.1Å; D308-K434 PolarHBondContact OD2-NZ 3.48Å |
| 309 | V | 92.2 | Very high | 91.9 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 120.4 | -176.1 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | A277 V306 R311 I315 A316 | A277-V309 HydrophobicContact CB-CG1 3.49Å; A277-V309 VanDerWaalsContact CB-CG1 3.49Å; V306-V309 HydrophobicContact CG1-CG2 3.42Å; V306-V309 VanDerWaalsContact CG1-CG2 3.42Å; V309-R311 HydrophobicContact CG1-CG 4.08Å; V309-I315 CarbonylContact C-O 3.6Å; V309-I315 WeakPolarHBondContact CA-O 3.42Å; V309-A316 HydrophobicContact CG1-CB 4.41Å; V309-A316 HydrophobicContact CG2-CB 4.07Å |
| 310 | D | 90.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 105.8 | 165 | -178.9 | -9.6 | 0 | 0 | 0 | 108.7 | K312 A313 D314 I315 R423 F427 | D310-K312 WeakPolarHBondContact OD1-CA 3.44Å; D310-K312 PolarHBondContact OD1-N 3.01Å; D310-A313 HydrophobicContact CB-CB 4.14Å; D310-A313 VanDerWaalsContact CG-CB 3.47Å; D310-A313 PolarHBondContact OD1-N 3.31Å; D310-A313 WeakPolarHBondContact OD2-CB 3.34Å; D310-D314 CarbonylContact O-C 3.6Å; D310-D314 WeakPolarHBondContact O-CA 3.5Å; D310-D314 PolarHBondContact O-N 2.96Å; D310-I315 PolarHBondContact N-O 2.97Å; D310-I315 PolarHBondContact O-N 3.09Å; D310-R423 IonicContact OD2-CZ 2.73Å; D310-R423 IonicContact OD2-NH2 2.67Å; D310-R423 PolarHBondContact OD2-NH2 2.93Å; D310-F427 HydrophobicContact CB-CD2 3.89Å; D310-F427 HydrophobicContact CB-CE2 3.68Å |
| 311 | R | 87.3 | Confident | 92.5 | Very high | 187 Ų | 187 | 50.4 Ų | 50.4 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -18.7 | 177.7 | -69.8 | -172.4 | 179.7 | -171.5 | -0.9 | 114.1 | V309 | V309-R311 HydrophobicContact CG1-CG 4.08Š|
| 312 | K | 83.6 | Confident | 92.5 | Very high | 108 Ų | 108 | 49 Ų | 49 | 47% | 0.47 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -35 | 175.5 | 174.8 | 162.4 | 170.9 | 152.3 | 0 | 110.8 | D310 D375 D377 | D310-K312 WeakPolarHBondContact OD1-CA 3.44Å; D310-K312 PolarHBondContact OD1-N 3.01Å; K312-D375 WeakPolarHBondContact CE-O 3.43Å; K312-D375 PolarHBondContact NZ-O 2.91Å; K312-D377 IonicContact NZ-OD2 3.46Å; K312-D377 PolarHBondContact NZ-OD2 2.82Å |
| 313 | A | 83.6 | Confident | 92.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -9.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | D310 I315 M378 I419 R423 | D310-A313 HydrophobicContact CB-CB 4.14Å; D310-A313 VanDerWaalsContact CG-CB 3.47Å; D310-A313 PolarHBondContact OD1-N 3.31Å; D310-A313 WeakPolarHBondContact OD2-CB 3.34Å; A313-I315 VanDerWaalsContact C-N 3.32Å; A313-I315 HydrophobicContact CB-CD1 3.83Å; A313-I315 HydrophobicContact CB-CG1 3.87Å; A313-I315 PolarHBondContact O-N 2.98Å; A313-M378 HydrophobicContact CB-CE 3.75Å; A313-M378 HydrophobicContact CB-SD 4.01Å; A313-I419 WeakPolarHBondContact O-CD1 3.5Å; A313-R423 HydrophobicContact CB-CG 4.37Å |
| 314 | D | 88.8 | Confident | 92.1 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42 | -169.2 | -170.6 | 29.5 | 0 | 0 | 0 | 113.4 | N276 A277 H278 D310 I419 | N276-D314 WeakPolarHBondContact CA-O 3.42Å; N276-D314 PolarHBondContact ND2-O 3.37Å; N276-D314 PolarHBondContact ND2-OD2 2.94Å; A277-D314 WeakPolarHBondContact CA-OD1 3.42Å; A277-D314 VanDerWaalsContact CB-OD1 3.25Å; A277-D314 WeakPolarHBondContact CB-OD1 3.24Å; A277-D314 PolarHBondContact N-O 3.3Å; A277-D314 VanDerWaalsContact N-O 3.16Å; A277-D314 PolarHBondContact N-OD1 3.02Å; H278-D314 IonicContact CE1-OD2 3.61Å; H278-D314 PolarHBondContact CE1-OD2 3.43Å; H278-D314 IonicContact CG-OD1 3.48Å; H278-D314 IonicContact CG-OD2 2.66Å; H278-D314 PolarHBondContact N-OD1 3.49Å; H278-D314 IonicContact ND1-OD1 2.82Å; H278-D314 PolarHBondContact ND1-OD1 3.13Å; H278-D314 IonicContact ND1-OD2 3.14Å; H278-D314 PolarHBondContact ND1-OD2 2.92Å; D310-D314 CarbonylContact O-C 3.6Å; D310-D314 WeakPolarHBondContact O-CA 3.5Å; D310-D314 PolarHBondContact O-N 2.96Å; D314-I419 HydrophobicContact CB-CD1 4.4Å |
| 315 | I | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.5 | 176.9 | -51.7 | 171.3 | 0 | 0 | 0 | 109.7 | V274 V309 D310 A313 I406 I419 R423 F427 | V274-I315 HydrophobicContact CG1-CG2 4.48Å; V309-I315 CarbonylContact C-O 3.6Å; V309-I315 WeakPolarHBondContact CA-O 3.42Å; D310-I315 PolarHBondContact N-O 2.97Å; D310-I315 PolarHBondContact O-N 3.09Å; A313-I315 VanDerWaalsContact C-N 3.32Å; A313-I315 HydrophobicContact CB-CD1 3.83Å; A313-I315 HydrophobicContact CB-CG1 3.87Å; A313-I315 PolarHBondContact O-N 2.98Å; I315-I406 HydrophobicContact CG1-CD1 4.2Å; I315-I406 HydrophobicContact CG2-CD1 3.99Å; I315-I419 HydrophobicContact CD1-CG2 3.94Å; I315-I419 HydrophobicContact CG1-CD1 3.97Å; I315-I419 HydrophobicContact CG1-CG2 4.15Å; I315-R423 HydrophobicContact CD1-CB 4.5Å; I315-R423 HydrophobicContact CD1-CG 3.74Å; I315-F427 HydrophobicContact CB-CD1 4.21Å; I315-F427 HydrophobicContact CB-CE1 4.26Å; I315-F427 HydrophobicContact CB-CG 4.47Å; I315-F427 HydrophobicContact CD1-CB 4.3Å; I315-F427 HydrophobicContact CG2-CD1 3.46Å; I315-F427 VanDerWaalsContact CG2-CD1 3.46Å; I315-F427 HydrophobicContact CG2-CE1 3.58Å; I315-F427 HydrophobicContact CG2-CG 4.14Å; I315-F427 HydrophobicContact CG2-CZ 4.33Å |
| 316 | A | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 152.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T275 V280 D308 V309 | T275-A316 HydrophobicContact CG2-CB 4.35Å; T275-A316 PolarHBondContact N-O 2.9Å; T275-A316 VanDerWaalsContact N-O 3.13Å; T275-A316 PolarHBondContact O-N 3.49Å; T275-A316 VanDerWaalsContact O-O 3.11Å; V280-A316 HydrophobicContact CG2-CB 3.42Å; V280-A316 VanDerWaalsContact CG2-CB 3.42Å; D308-A316 WeakPolarHBondContact O-CA 3.47Å; V309-A316 HydrophobicContact CG1-CB 4.41Å; V309-A316 HydrophobicContact CG2-CB 4.07Å |
| 317 | T | 96.4 | Very high | 92 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.5 | 163 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | V272 I273 V274 R307 D308 F427 L428 | V272-T317 HydrophobicContact CG1-CG2 4.33Å; I273-T317 VanDerWaalsContact O-CA 3.32Å; I273-T317 WeakPolarHBondContact O-CA 3.43Å; V274-T317 HydrophobicContact CG2-CG2 3.95Å; R307-T317 PolarHBondContact N-O 2.97Å; D308-T317 PolarHBondContact N-O 3.39Å; D308-T317 PolarHBondContact O-N 3.44Å; T317-F427 HydrophobicContact CG2-CD1 4.34Å; T317-F427 HydrophobicContact CG2-CE1 3.79Å; T317-L428 HydrophobicContact CG2-CD2 3.57Å |
| 318 | I | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 160.4 | 176 | 72.1 | 178.3 | 0 | 0 | 0 | 110.1 | I244 V272 I273 V280 L292 V294 A304 A305 V306 | I244-I318 HydrophobicContact CD1-CD1 3.78Å; I244-I318 HydrophobicContact CG1-CD1 4.39Å; I244-I318 HydrophobicContact CG2-CD1 4.35Å; V272-I318 WeakPolarHBondContact CA-O 3.48Å; I273-I318 HydrophobicContact CB-CD1 4.33Å; I273-I318 HydrophobicContact CB-CG1 3.7Å; I273-I318 HydrophobicContact CD1-CG1 4.46Å; I273-I318 HydrophobicContact CG2-CD1 4.1Å; I273-I318 HydrophobicContact CG2-CG1 3.91Å; I273-I318 PolarHBondContact N-O 3.35Å; I273-I318 PolarHBondContact O-N 3.06Å; V280-I318 HydrophobicContact CB-CG2 4.46Å; V280-I318 HydrophobicContact CG1-CG2 3.84Å; L292-I318 HydrophobicContact CD2-CB 4.17Å; L292-I318 HydrophobicContact CD2-CD1 3.73Å; L292-I318 HydrophobicContact CD2-CG2 3.75Å; V294-I318 HydrophobicContact CG2-CD1 3.54Å; A304-I318 HydrophobicContact CB-CD1 4.14Å; A305-I318 CarbonylContact O-C 3.12Å; A305-I318 VanDerWaalsContact O-CA 3.27Å; A305-I318 WeakPolarHBondContact O-CA 3.4Å; V306-I318 HydrophobicContact CG2-CG2 4.18Å |
| 319 | K | 95.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.1 | -176.4 | -179.8 | 63 | 171.7 | 70.8 | 0 | 110.5 | S270 G271 V272 A304 A305 N321 | S270-K319 WeakPolarHBondContact O-CE 3.27Å; S270-K319 PolarHBondContact O-NZ 2.94Å; G271-K319 WeakPolarHBondContact O-CA 3.38Å; V272-K319 HydrophobicContact CG2-CD 4.07Å; A304-K319 WeakPolarHBondContact CA-O 3.46Å; A305-K319 PolarHBondContact N-O 2.9Å; A305-K319 PolarHBondContact O-N 3.36Å; K319-N321 PolarHBondContact NZ-OD1 3.29Å |
| 320 | I | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -101.6 | 159.3 | 163.7 | 58.4 | 168.4 | 0 | 0 | 0 | 110.4 | G271 I273 V294 L296 Y302 A304 P322 L326 | G271-I320 WeakPolarHBondContact O-CG1 3.19Å; G271-I320 PolarHBondContact O-N 2.67Å; I273-I320 HydrophobicContact CD1-CD1 3.88Å; I273-I320 HydrophobicContact CD1-CG1 3.87Å; I273-I320 HydrophobicContact CD1-CG2 4.21Å; V294-I320 HydrophobicContact CB-CG2 3.84Å; V294-I320 HydrophobicContact CG1-CD1 4.49Å; V294-I320 HydrophobicContact CG1-CG2 4.37Å; V294-I320 HydrophobicContact CG2-CG2 3.78Å; L296-I320 HydrophobicContact CD2-CD1 4.25Å; Y302-I320 HydrophobicContact CD2-CD1 4.04Å; Y302-I320 HydrophobicContact CG-CB 4.34Å; Y302-I320 HydrophobicContact CG-CD1 4.2Å; A304-I320 HydrophobicContact CB-CG2 3.66Å; I320-P322 VanDerWaalsContact O-CD 3.27Å; I320-P322 WeakPolarHBondContact O-CD 3.43Å; I320-L326 HydrophobicContact CD1-CD1 3.92Å; I320-L326 HydrophobicContact CG1-CD1 4.49Å | ||
| 321 | N | 95.6 | Very high | 93.1 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | trans | -112.1 | 85.8 | 176.5 | -65.7 | -35.6 | 0 | 0 | 0 | 109.7 | K319 | K319-N321 PolarHBondContact NZ-OD1 3.29Š| ||
| 322 | P | 93.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | trans | -76.1 | 146.5 | -175.5 | 34.1 | -37.8 | 0 | 0 | 0 | 111.7 | Y302 I320 K324 L326 | Y302-P322 HydrophobicContact CE1-CB 4.43Å; I320-P322 VanDerWaalsContact O-CD 3.27Å; I320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-K324 VanDerWaalsContact C-N 3.32Å; P322-L326 HydrophobicContact CB-CD1 3.91Å; P322-L326 HydrophobicContact CB-CD2 3.81Å; P322-L326 HydrophobicContact CB-CG 3.82Å; P322-L326 HydrophobicContact CG-CD1 3.79Å; P322-L326 HydrophobicContact CG-CD2 4.46Å; P322-L326 HydrophobicContact CG-CG 3.91Å | ||
| 323 | Q | 90.1 | Very high | 94 | Very high | 179 Ų | 179 | 48.5 Ų | 48.5 | 84% | 0.836 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -83.8 | -10.6 | 174.2 | -58 | -60.5 | -21.7 | 0 | 0 | 112.8 | ||
| 324 | K | 90.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 37% | 0.365 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -130 | 155.7 | -176.8 | 68.5 | -160 | -172.5 | -164.4 | 0 | 110.8 | D298 D300 P322 L326 | D298-K324 IonicContact OD1-NZ 2.73Å; D298-K324 WeakPolarHBondContact OD2-CE 3.28Å; D298-K324 IonicContact OD2-NZ 2.93Å; D298-K324 PolarHBondContact OD2-NZ 3.02Å; D300-K324 IonicContact OD1-NZ 2.81Å; D300-K324 PolarHBondContact OD1-NZ 2.9Å; D300-K324 VanDerWaalsContact OD2-CE 3.27Å; D300-K324 WeakPolarHBondContact OD2-CE 3.16Å; D300-K324 IonicContact OD2-NZ 3.58Å; D300-K324 PolarHBondContact OD2-NZ 2.85Å; P322-K324 VanDerWaalsContact C-N 3.32Å; K324-L326 HydrophobicContact CG-CD2 4.44Å; K324-L326 PolarHBondContact O-N 3.11Å |
| 325 | K | 90.4 | Very high | 94.5 | Very high | 163 Ų | 163 | 50.3 Ų | 50.3 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 121.6 | 172.6 | -176.1 | -178.4 | 176.5 | -172.6 | 0 | 108.7 | H269 | H269-K325 HydrophobicContact CB-CG 4.43Å; H269-K325 WeakPolarHBondContact CD2-CE 3.18Å; H269-K325 WeakPolarHBondContact NE2-CE 3.3Å |
| 326 | L | 94.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 157.3 | -179.8 | -59.1 | 179.1 | 0 | 0 | 0 | 112.2 | I266 H269 L296 I320 P322 K324 | I266-L326 HydrophobicContact CD1-CB 4.25Å; I266-L326 HydrophobicContact CD1-CD1 3.99Å; I266-L326 HydrophobicContact CG1-CD1 4.43Å; I266-L326 HydrophobicContact CG2-CB 4.25Å; I266-L326 HydrophobicContact CG2-CD1 4.04Å; H269-L326 PolarHBondContact CD2-O 3.27Å; H269-L326 VanDerWaalsContact CD2-O 3.28Å; L296-L326 HydrophobicContact CD1-CD2 3.69Å; I320-L326 HydrophobicContact CD1-CD1 3.92Å; I320-L326 HydrophobicContact CG1-CD1 4.49Å; P322-L326 HydrophobicContact CB-CD1 3.91Å; P322-L326 HydrophobicContact CB-CD2 3.81Å; P322-L326 HydrophobicContact CB-CG 3.82Å; P322-L326 HydrophobicContact CG-CD1 3.79Å; P322-L326 HydrophobicContact CG-CD2 4.46Å; P322-L326 HydrophobicContact CG-CG 3.91Å; K324-L326 HydrophobicContact CG-CD2 4.44Å; K324-L326 PolarHBondContact O-N 3.11Å |
| 327 | H | 94.5 | Very high | 94.3 | Very high | 124 Ų | 124 | 57 Ų | 57 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 152.7 | 160 | -60.7 | 102.5 | 0 | 0 | 0 | 109.8 | P239 A240 I266 | P239-H327 HydrophobicContact CB-CB 4.12Å; P239-H327 WeakPolarHBondContact CB-ND1 3.36Å; A240-H327 HydrophobicContact CB-CB 4.01Å; I266-H327 WeakPolarHBondContact CB-O 3.29Å; I266-H327 WeakPolarHBondContact CG2-O 3.08Å |
| 328 | V | 97.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | trans | -139.4 | 152.4 | -177 | -56.1 | 0 | 0 | 0 | 0 | 110 | I266 T268 H269 | I266-V328 HydrophobicContact CG2-CG1 4.13Å; I266-V328 VanDerWaalsContact O-CA 3.3Å; I266-V328 WeakPolarHBondContact O-CA 3.46Å; T268-V328 VanDerWaalsContact C-CG1 3.44Å; H269-V328 HydrophobicContact CB-CG1 4.47Å | ||
| 329 | L | 97.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -103.8 | 143.9 | 167 | -54 | -177.9 | 0 | 0 | 0 | 110.6 | I237 A240 F265 I266 P395 V403 | I237-L329 HydrophobicContact CB-CD1 4.5Å; I237-L329 HydrophobicContact CB-CD2 3.84Å; I237-L329 HydrophobicContact CG2-CD2 3.9Å; A240-L329 HydrophobicContact CB-CD2 3.76Å; A240-L329 HydrophobicContact CB-CG 3.77Å; F265-L329 HydrophobicContact CB-CD1 3.99Å; F265-L329 HydrophobicContact CD2-CD1 4.37Å; F265-L329 HydrophobicContact CG-CD1 4.42Å; I266-L329 PolarHBondContact O-N 3.38Å; L329-P395 HydrophobicContact CD1-CB 4.19Å; L329-P395 HydrophobicContact CD1-CG 3.83Å; L329-V403 HydrophobicContact CB-CG2 3.63Å; L329-V403 HydrophobicContact CD1-CG2 3.54Å; L329-V403 HydrophobicContact CG-CG2 4.23Å |
| 330 | S | 96.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 153 | 164 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | V403 | S330-V403 PolarHBondContact O-N 3.24Š|
| 331 | L | 96.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 70.3 Ų | 70.3 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 128.4 | 162.6 | -56.3 | -175.1 | 0 | 0 | 0 | 107.8 | F265 V267 V403 I424 S425 L428 | F265-L331 HydrophobicContact CE2-CD2 4Å; V267-L331 HydrophobicContact CG1-CD2 4.43Å; L331-V403 WeakPolarHBondContact CA-O 3.25Å; L331-V403 HydrophobicContact CD2-CB 3.83Å; L331-V403 HydrophobicContact CD2-CG1 4.14Å; L331-I424 HydrophobicContact CD1-CB 4.08Å; L331-I424 HydrophobicContact CD1-CG2 4Å; L331-I424 HydrophobicContact CD2-CD1 4.44Å; L331-S425 VanDerWaalsContact CD1-OG 3.31Å; L331-S425 WeakPolarHBondContact CD1-OG 3.49Å; L331-L428 HydrophobicContact CD1-CD1 3.76Å |
| 332 | G | 95.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | trans | -85.5 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V403 S421 | G332-V403 PolarHBondContact N-O 2.9Å; G332-S421 WeakPolarHBondContact O-CB 3.42Å; G332-S421 PolarHBondContact O-OG 2.94Å | ||
| 333 | S | 94.7 | Very high | 94.1 | Very high | 45 Ų | 45 | 68 Ų | 68 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | trans | -79.8 | 126.8 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | D336 | S333-D336 WeakPolarHBondContact CB-OD2 3.21Å; S333-D336 PolarHBondContact OG-OD2 3.34Å | ||
| 334 | S | 92.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -87.3 | -18.9 | 173.8 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | D336 L337 P420 S421 D422 | S334-D336 VanDerWaalsContact C-N 3.31Å; S334-D336 PolarHBondContact O-N 3.19Å; S334-L337 WeakPolarHBondContact O-CG 3.05Å; S334-P420 VanDerWaalsContact OG-CB 3.22Å; S334-P420 WeakPolarHBondContact OG-CB 3.22Å; S334-S421 VanDerWaalsContact CB-OG 3.29Å; S334-S421 WeakPolarHBondContact CB-OG 3.45Å; S334-S421 PolarHBondContact N-OG 3.36Å; S334-S421 PolarHBondContact OG-N 3.07Å; S334-S421 PolarHBondContact OG-OG 3.39Å; S334-D422 WeakPolarHBondContact CA-OD2 3.46Å; S334-D422 WeakPolarHBondContact CB-OD2 3.19Å; S334-D422 PolarHBondContact N-OD2 3.02Å; S334-D422 WeakPolarHBondContact OG-CB 3.41Å; S334-D422 PolarHBondContact OG-N 3.18Å; S334-D422 PolarHBondContact OG-OD2 2.81Å |
| 335 | A | 90.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D422 | A335-D422 PolarHBondContact N-OD2 2.92Š|
| 336 | D | 92.1 | Very high | 95 | Very high | 126 Ų | 126 | 47.7 Ų | 47.7 | 67% | 0.674 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.7 | -177.7 | -63 | -61 | 0 | 0 | 0 | 113.9 | S333 S334 | S333-D336 WeakPolarHBondContact CB-OD2 3.21Å; S333-D336 PolarHBondContact OG-OD2 3.34Å; S334-D336 VanDerWaalsContact C-N 3.31Å; S334-D336 PolarHBondContact O-N 3.19Å |
| 337 | L | 92.9 | Very high | 95 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | trans | -64.7 | 133.5 | -178.9 | -73 | 174.3 | 0 | 0 | 0 | 112.9 | S334 V361 A364 I381 I404 | S334-L337 WeakPolarHBondContact O-CG 3.05Å; L337-V361 HydrophobicContact CD2-CG2 4.35Å; L337-A364 HydrophobicContact CB-CB 3.8Å; L337-I381 HydrophobicContact CD1-CD1 3.46Å; L337-I381 VanDerWaalsContact CD1-CD1 3.46Å; L337-I381 HydrophobicContact CD1-CG1 3.83Å; L337-I381 HydrophobicContact CD1-CG2 4.41Å; L337-I404 HydrophobicContact CD1-CB 4.24Å; L337-I404 HydrophobicContact CD1-CD1 4.05Å; L337-I404 HydrophobicContact CD2-CB 4.11Å; L337-I404 HydrophobicContact CD2-CD1 3.63Å; L337-I404 HydrophobicContact CD2-CG1 4.49Å; L337-I404 HydrophobicContact CD2-CG2 3.94Å | ||
| 338 | R | 92.4 | Very high | 94.8 | Very high | 163 Ų | 163 | 41.4 Ų | 41.4 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | trans | -105.4 | 136.6 | 177.5 | -64.3 | 169.4 | -61.9 | 154.4 | 8.4 | 111.4 | G340 E341 | R338-G340 PolarHBondContact O-N 2.97Å; R338-E341 IonicContact CZ-OE2 3.83Å; R338-E341 IonicContact NE-OE2 2.63Å; R338-E341 PolarHBondContact NE-OE2 2.94Å; R338-E341 IonicContact NH2-OE2 2.69Å; R338-E341 PolarHBondContact NH2-OE2 3.42Å; R338-E341 WeakPolarHBondContact O-CB 3.3Å; R338-E341 PolarHBondContact O-N 2.85Å | ||
| 339 | P | 92.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 62% | 0.623 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.4 | 166.5 | -26.4 | 35.9 | 0 | 0 | 0 | 111.3 | V361 | P339-V361 CarbonylContact C-O 3.21Å; P339-V361 WeakPolarHBondContact CA-O 3.21Å |
| 340 | G | 92 | Very high | 92.4 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -3.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R338 V361 | R338-G340 PolarHBondContact O-N 2.97Å; G340-V361 PolarHBondContact N-O 3.07Å |
| 341 | E | 96.7 | Very high | 90.8 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | trans | -71.3 | 132.3 | 175.8 | -170.6 | 161.8 | 132.4 | 0 | 0 | 111.7 | R338 I360 V361 | R338-E341 IonicContact CZ-OE2 3.83Å; R338-E341 IonicContact NE-OE2 2.63Å; R338-E341 PolarHBondContact NE-OE2 2.94Å; R338-E341 IonicContact NH2-OE2 2.69Å; R338-E341 PolarHBondContact NH2-OE2 3.42Å; R338-E341 WeakPolarHBondContact O-CB 3.3Å; R338-E341 PolarHBondContact O-N 2.85Å; E341-I360 CarbonylContact O-C 3.4Å; E341-I360 WeakPolarHBondContact O-CA 3.45Å; E341-V361 HydrophobicContact CB-CG2 4.47Å; E341-V361 PolarHBondContact O-N 2.84Å | ||
| 342 | F | 97.9 | Very high | 89.2 | Confident | 96 Ų | 96 | 47.4 Ų | 47.4 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134 | -179.5 | -80.5 | -73.5 | 0 | 0 | 0 | 112.3 | F229 G359 I360 L399 | F229-F342 HydrophobicContact CE2-CB 4.46Å; F229-F342 HydrophobicContact CE2-CD2 4.18Å; F229-F342 HydrophobicContact CE2-CG 4.15Å; F229-F342 HydrophobicContact CZ-CD2 4.24Å; F229-F342 HydrophobicContact CZ-CE2 4.2Å; F229-F342 HydrophobicContact CZ-CZ 4.46Å; F342-G359 WeakPolarHBondContact CA-O 3.44Å; F342-I360 HydrophobicContact CD1-CG2 3.95Å; F342-I360 HydrophobicContact CE1-CG2 4.13Å; F342-I360 HydrophobicContact CG-CG2 4.39Å; F342-L399 HydrophobicContact CB-CD1 4.07Å; F342-L399 HydrophobicContact CB-CD2 3.79Å; F342-L399 HydrophobicContact CB-CG 3.99Å |
| 343 | V | 97.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.2 | -177.7 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | T358 G359 V361 T383 A385 L396 V397 I404 | V343-T358 WeakPolarHBondContact O-CA 3.5Å; V343-T358 PolarHBondContact O-OG1 2.88Å; V343-G359 PolarHBondContact N-O 3.22Å; V343-G359 PolarHBondContact O-N 2.9Å; V343-V361 HydrophobicContact CG1-CG2 3.63Å; V343-T383 WeakPolarHBondContact CG2-OG1 3.35Å; V343-A385 HydrophobicContact CG2-CB 4.47Å; V343-L396 HydrophobicContact CB-CD1 3.92Å; V343-L396 HydrophobicContact CB-CG 4.2Å; V343-L396 HydrophobicContact CG2-CD1 3.91Å; V343-V397 VanDerWaalsContact CA-O 3.26Å; V343-V397 WeakPolarHBondContact CA-O 3.27Å; V343-I404 HydrophobicContact CB-CD1 4.39Å; V343-I404 HydrophobicContact CG1-CD1 3.47Å; V343-I404 VanDerWaalsContact CG1-CD1 3.47Å |
| 344 | V | 97.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.3 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | I230 V233 V234 I346 V356 V397 | I230-V344 HydrophobicContact CD1-CG2 3.84Å; I230-V344 HydrophobicContact CG2-CG2 4.03Å; V233-V344 HydrophobicContact CG1-CB 4.4Å; V233-V344 HydrophobicContact CG1-CG2 4.02Å; V234-V344 HydrophobicContact CG2-CG1 4.05Å; V344-I346 HydrophobicContact CG1-CB 4.5Å; V344-V356 HydrophobicContact CG1-CG1 3.77Å; V344-V397 HydrophobicContact CB-CG2 3.85Å; V344-V397 PolarHBondContact N-O 3.2Å; V344-V397 PolarHBondContact O-N 2.97Å |
| 345 | A | 96.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 100.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | T357 A385 I387 N391 L396 N407 | A345-T357 PolarHBondContact N-O 3.44Å; A345-T357 PolarHBondContact O-N 2.74Å; A345-T357 PolarHBondContact O-OG1 3.24Å; A345-A385 HydrophobicContact CB-CB 4.19Å; A345-I387 HydrophobicContact CB-CG1 4.45Å; A345-N391 PolarHBondContact O-ND2 3.22Å; A345-N391 VanDerWaalsContact O-ND2 3.14Å; A345-L396 HydrophobicContact CB-CD1 3.81Å; A345-N407 WeakPolarHBondContact CB-OD1 3.4Å |
| 346 | I | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.6 | -175.3 | -170.1 | 166.2 | 0 | 0 | 0 | 111.9 | V234 I237 A238 V241 V344 T355 V356 P395 N407 | V234-I346 HydrophobicContact CG1-CD1 4.32Å; I237-I346 HydrophobicContact CD1-CB 4.31Å; I237-I346 HydrophobicContact CD1-CD1 4.12Å; I237-I346 HydrophobicContact CD1-CG2 3.66Å; I237-I346 HydrophobicContact CG1-CD1 3.97Å; I237-I346 HydrophobicContact CG1-CG2 4.21Å; A238-I346 HydrophobicContact CB-CD1 4.24Å; V241-I346 HydrophobicContact CG2-CD1 4.26Å; V241-I346 HydrophobicContact CG2-CG1 4.26Å; V241-I346 HydrophobicContact CG2-CG2 3.7Å; V344-I346 HydrophobicContact CG1-CB 4.5Å; I346-T355 WeakPolarHBondContact CA-O 3.42Å; I346-V356 HydrophobicContact CD1-CG2 3.89Å; I346-V356 HydrophobicContact CG1-CG2 3.98Å; I346-P395 HydrophobicContact CG2-CG 3.69Å; I346-P395 PolarHBondContact N-O 3.31Å; I346-P395 WeakPolarHBondContact O-CD 3.47Å; I346-N407 PolarHBondContact O-ND2 3.38Å |
| 347 | G | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S263 N354 T355 | S263-G347 WeakPolarHBondContact OG-CA 3.15Å; G347-N354 CarbonylContact O-C 3.43Å; G347-N354 WeakPolarHBondContact O-CA 3.28Å; G347-T355 PolarHBondContact N-O 2.9Å; G347-T355 PolarHBondContact O-N 3.18Å |
| 348 | S | 90.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 90.1 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | H243 S263 F350 Q353 | H243-S348 WeakPolarHBondContact CB-O 3.4Å; H243-S348 PolarHBondContact ND1-O 3.2Å; S263-S348 PolarHBondContact OG-N 2.93Å; S348-F350 PolarHBondContact O-N 2.96Å; S348-F350 PolarHBondContact OG-O 2.87Å; S348-Q353 WeakPolarHBondContact CA-O 3.48Å; S348-Q353 PolarHBondContact OG-O 2.98Å |
| 349 | P | 72.1 | Confident | 88 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | -30 | 175.2 | 24.2 | -38.2 | 0 | 0 | 0 | 113.3 | H243 Q353 T355 | H243-P349 PolarHBondContact CE1-O 3.17Å; H243-P349 PolarHBondContact ND1-O 2.76Å; P349-Q353 VanDerWaalsContact CD-O 3.31Å; P349-Q353 WeakPolarHBondContact CD-O 3.41Å; P349-T355 WeakPolarHBondContact CD-OG1 3.39Å; P349-T355 WeakPolarHBondContact CG-OG1 3.34Å |
| 350 | F | 73.8 | Confident | 88.1 | Confident | 119 Ų | 119 | 42.5 Ų | 42.5 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153.7 | -179.2 | -53.7 | -64.8 | 0 | 0 | 0 | 108.7 | S348 L352 Q353 | S348-F350 PolarHBondContact O-N 2.96Å; S348-F350 PolarHBondContact OG-O 2.87Å; F350-L352 PolarHBondContact O-N 3.33Å; F350-Q353 HydrophobicContact CB-CB 4.47Å; F350-Q353 PolarHBondContact O-N 3.21Å; F350-Q353 VanDerWaalsContact O-N 3.12Å; F350-Q353 VanDerWaalsContact O-O 3.09Å |
| 351 | A | 61.4 | Low | 88.2 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 136.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q295 Q353 | Q295-A351 HydrophobicContact CB-CB 4.44Å; A351-Q353 PolarHBondContact O-N 3.02Å; A351-Q353 VanDerWaalsContact O-N 3.16Å |
| 352 | L | 63.1 | Low | 87.8 | Confident | 120 Ų | 120 | 40.7 Ų | 40.7 | 63% | 0.628 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 7.3 | -179.7 | -47.3 | 175.3 | 0 | 0 | 0 | 116.1 | H297 F350 | H297-L352 WeakPolarHBondContact O-CD2 3.38Å; F350-L352 PolarHBondContact O-N 3.33Å |
| 353 | Q | 75.3 | Confident | 87.1 | Confident | 120 Ų | 120 | 38.4 Ų | 38.4 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 118.9 | 174.4 | -67.3 | -170.1 | -10.4 | 0 | 0 | 111.1 | S348 P349 F350 A351 | S348-Q353 WeakPolarHBondContact CA-O 3.48Å; S348-Q353 PolarHBondContact OG-O 2.98Å; P349-Q353 VanDerWaalsContact CD-O 3.31Å; P349-Q353 WeakPolarHBondContact CD-O 3.41Å; F350-Q353 HydrophobicContact CB-CB 4.47Å; F350-Q353 PolarHBondContact O-N 3.21Å; F350-Q353 VanDerWaalsContact O-N 3.12Å; F350-Q353 VanDerWaalsContact O-O 3.09Å; A351-Q353 PolarHBondContact O-N 3.02Å; A351-Q353 VanDerWaalsContact O-N 3.16Å |
| 354 | N | 82 | Confident | 85.9 | Confident | 46 Ų | 46 | 39.1 Ų | 39.1 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.1 | 173.7 | -72 | 23.9 | 0 | 0 | 0 | 110.3 | A238 G347 | A238-N354 WeakPolarHBondContact CB-ND2 3.29Å; G347-N354 CarbonylContact O-C 3.43Å; G347-N354 WeakPolarHBondContact O-CA 3.28Å |
| 355 | T | 88.2 | Confident | 84.7 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.9 | 161.6 | -71.8 | 0 | 0 | 0 | 0 | 108.1 | I346 G347 P349 T357 | I346-T355 WeakPolarHBondContact CA-O 3.42Å; G347-T355 PolarHBondContact N-O 2.9Å; G347-T355 PolarHBondContact O-N 3.18Å; P349-T355 WeakPolarHBondContact CD-OG1 3.39Å; P349-T355 WeakPolarHBondContact CG-OG1 3.34Å; T355-T357 HydrophobicContact CG2-CG2 4.39Å |
| 356 | V | 94.3 | Very high | 83.4 | Confident | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.5 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | V234 V344 I346 | V234-V356 HydrophobicContact CG1-CG2 3.92Å; V234-V356 HydrophobicContact CG2-CB 4.39Å; V234-V356 HydrophobicContact CG2-CG1 3.56Å; V234-V356 HydrophobicContact CG2-CG2 3.88Å; V344-V356 HydrophobicContact CG1-CG1 3.77Å; I346-V356 HydrophobicContact CD1-CG2 3.89Å; I346-V356 HydrophobicContact CG1-CG2 3.98Å |
| 357 | T | 94.4 | Very high | 82.2 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.3 | 163.6 | 61.5 | 0 | 0 | 0 | 0 | 108.9 | A345 T355 I386 N391 | A345-T357 PolarHBondContact N-O 3.44Å; A345-T357 PolarHBondContact O-N 2.74Å; A345-T357 PolarHBondContact O-OG1 3.24Å; T355-T357 HydrophobicContact CG2-CG2 4.39Å; T357-I386 WeakPolarHBondContact CB-O 3.41Å; T357-I386 HydrophobicContact CG2-CB 4.09Å; T357-I386 WeakPolarHBondContact CG2-O 3.34Å; T357-I386 PolarHBondContact OG1-N 3.11Å; T357-I386 PolarHBondContact OG1-O 2.74Å; T357-N391 PolarHBondContact OG1-ND2 3.16Å |
| 358 | T | 96.3 | Very high | 80.7 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.9 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | I230 V343 | I230-T358 WeakPolarHBondContact CD1-OG1 3.44Å; V343-T358 WeakPolarHBondContact O-CA 3.5Å; V343-T358 PolarHBondContact O-OG1 2.88Å |
| 359 | G | 95.6 | Very high | 79.3 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | -156.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F342 V343 D384 | F342-G359 WeakPolarHBondContact CA-O 3.44Å; V343-G359 PolarHBondContact N-O 3.22Å; V343-G359 PolarHBondContact O-N 2.9Å; G359-D384 WeakPolarHBondContact CA-OD1 3.03Å |
| 360 | I | 95.8 | Very high | 78.8 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.3 | 173.6 | 55.2 | 168.5 | 0 | 0 | 0 | 111.2 | E341 F342 S362 T383 D384 | E341-I360 CarbonylContact O-C 3.4Å; E341-I360 WeakPolarHBondContact O-CA 3.45Å; F342-I360 HydrophobicContact CD1-CG2 3.95Å; F342-I360 HydrophobicContact CE1-CG2 4.13Å; F342-I360 HydrophobicContact CG-CG2 4.39Å; I360-S362 PolarHBondContact O-N 2.04Å; I360-T383 WeakPolarHBondContact O-CA 3.18Å; I360-T383 VanDerWaalsContact O-CB 3.28Å; I360-T383 WeakPolarHBondContact O-CB 3.39Å; I360-T383 PolarHBondContact O-OG1 3.45Å; I360-D384 PolarHBondContact N-OD1 2.89Å |
| 361 | V | 93.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 117.1 | 162.3 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | L337 P339 G340 E341 V343 A364 I381 | L337-V361 HydrophobicContact CD2-CG2 4.35Å; P339-V361 CarbonylContact C-O 3.21Å; P339-V361 WeakPolarHBondContact CA-O 3.21Å; G340-V361 PolarHBondContact N-O 3.07Å; E341-V361 HydrophobicContact CB-CG2 4.47Å; E341-V361 PolarHBondContact O-N 2.84Å; V343-V361 HydrophobicContact CG1-CG2 3.63Å; V361-A364 HydrophobicContact CG1-CB 4.44Å; V361-I381 HydrophobicContact CG1-CG2 4.34Å; V361-I381 HydrophobicContact CG2-CG2 4.43Å |
| 362 | S | 87.3 | Confident | 77.9 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -46.1 | 169.4 | -41.4 | 0 | 0 | 0 | 0 | 110.4 | I360 Q382 | I360-S362 PolarHBondContact O-N 2.04Å; S362-Q382 PolarHBondContact N-O 3.4Å |
| 363 | T | 83.6 | Confident | 77.8 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 129.4 | -176.9 | -47.6 | 0 | 0 | 0 | 0 | 108.7 | Q365 Q382 | T363-Q365 WeakPolarHBondContact CG2-O 3.05Å; T363-Q382 PolarHBondContact N-O 3.07Å; T363-Q382 PolarHBondContact O-N 2.94Å |
| 364 | A | 73.6 | Confident | 76.3 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -28.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L337 V361 | L337-A364 HydrophobicContact CB-CB 3.8Å; V361-A364 HydrophobicContact CG1-CB 4.44Å |
| 365 | Q | 71.9 | Confident | 74.9 | Confident | 133 Ų | 133 | 64 Ų | 64 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 101.5 | -175.6 | -66.3 | 169.3 | 7.2 | 0 | 0 | 109.3 | T363 | T363-Q365 WeakPolarHBondContact CG2-O 3.05Å |
| 366 | R | 68.8 | Low | 73.4 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 28% | 0.275 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 109 | 176 | -169.1 | 79 | -176.6 | 134.9 | 14.3 | 109.1 | G368 E370 L371 D379 Y380 F417 | R366-G368 PolarHBondContact O-N 3.2Å; R366-E370 IonicContact CZ-OE2 2.73Å; R366-E370 IonicContact NH1-OE2 2.63Å; R366-E370 PolarHBondContact NH1-OE2 2.93Å; R366-E370 IonicContact NH2-OE2 2.65Å; R366-E370 PolarHBondContact NH2-OE2 2.89Å; R366-L371 HydrophobicContact CG-CD1 4.46Å; R366-L371 HydrophobicContact CG-CD2 3.95Å; R366-L371 HydrophobicContact CG-CG 4.33Å; R366-D379 WeakPolarHBondContact O-CA 3.43Å; R366-Y380 WeakPolarHBondContact CB-O 3.03Å; R366-Y380 PolarHBondContact N-O 2.93Å; R366-Y380 PolarHBondContact O-N 2.65Å; R366-F417 HydrophobicContact CG-CE1 4.19Å |
| 367 | D | 69.9 | Low | 72 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 124.7 | 178 | -175.2 | -18.5 | 0 | 0 | 0 | 110 | K369 E370 | D367-K369 PolarHBondContact O-N 2.88Å; D367-K369 VanDerWaalsContact O-N 3.13Å; D367-K369 WeakPolarHBondContact OD1-CB 3.34Å; D367-K369 WeakPolarHBondContact OD1-CG 3.47Å; D367-K369 PolarHBondContact OD1-N 2.96Å; D367-E370 WeakPolarHBondContact O-CB 3.27Å; D367-E370 PolarHBondContact O-N 3.16Å |
| 368 | G | 62.9 | Low | 70.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -57.9 | -21.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R366 E370 L371 G372 I373 S376 M378 | R366-G368 PolarHBondContact O-N 3.2Å; G368-E370 VanDerWaalsContact C-N 3.32Å; G368-E370 PolarHBondContact O-N 2.9Å; G368-L371 CarbonylContact O-C 3.6Å; G368-L371 WeakPolarHBondContact O-CA 3.19Å; G368-L371 WeakPolarHBondContact O-CB 3.19Å; G368-L371 PolarHBondContact O-N 2.89Å; G368-G372 PolarHBondContact O-N 3.34Å; G368-I373 WeakPolarHBondContact O-CB 3.27Å; G368-I373 PolarHBondContact O-N 2.99Å; G368-S376 VanDerWaalsContact CA-OG 3.29Å; G368-S376 WeakPolarHBondContact CA-OG 3.15Å; G368-M378 PolarHBondContact N-O 2.95Å |
| 369 | K | 62.3 | Low | 70.2 | Confident | 108 Ų | 108 | 64.4 Ų | 64.4 | 47% | 0.47 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -63.2 | -37.7 | 171.1 | -68.6 | 160.9 | -172.7 | 148.3 | 0 | 111.9 | D367 L371 G372 S376 D377 | D367-K369 PolarHBondContact O-N 2.88Å; D367-K369 VanDerWaalsContact O-N 3.13Å; D367-K369 WeakPolarHBondContact OD1-CB 3.34Å; D367-K369 WeakPolarHBondContact OD1-CG 3.47Å; D367-K369 PolarHBondContact OD1-N 2.96Å; K369-L371 PolarHBondContact O-N 2.89Å; K369-G372 PolarHBondContact O-N 2.86Å; K369-G372 VanDerWaalsContact O-N 3.13Å; K369-S376 VanDerWaalsContact CE-O 3.26Å; K369-S376 WeakPolarHBondContact CE-O 3.41Å; K369-D377 WeakPolarHBondContact CE-OD1 2.98Å; K369-D377 IonicContact NZ-OD1 2.65Å; K369-D377 PolarHBondContact NZ-OD1 2.66Å |
| 370 | E | 61.4 | Low | 69.7 | Low | 124 Ų | 124 | 65 Ų | 65 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -72.5 | -9.6 | 173.2 | -62.4 | -165.6 | -157 | 0 | 0 | 113.1 | R366 D367 G368 | R366-E370 IonicContact CZ-OE2 2.73Å; R366-E370 IonicContact NH1-OE2 2.63Å; R366-E370 PolarHBondContact NH1-OE2 2.93Å; R366-E370 IonicContact NH2-OE2 2.65Å; R366-E370 PolarHBondContact NH2-OE2 2.89Å; D367-E370 WeakPolarHBondContact O-CB 3.27Å; D367-E370 PolarHBondContact O-N 3.16Å; G368-E370 VanDerWaalsContact C-N 3.32Å; G368-E370 PolarHBondContact O-N 2.9Å |
| 371 | L | 60.6 | Low | 69.4 | Low | 46 Ų | 46 | 62.3 Ų | 62.3 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -96 | 3.8 | 172.3 | -52.3 | -178.3 | 0 | 0 | 0 | 112.4 | R366 G368 K369 I373 Y380 F417 | R366-L371 HydrophobicContact CG-CD1 4.46Å; R366-L371 HydrophobicContact CG-CD2 3.95Å; R366-L371 HydrophobicContact CG-CG 4.33Å; G368-L371 CarbonylContact O-C 3.6Å; G368-L371 WeakPolarHBondContact O-CA 3.19Å; G368-L371 WeakPolarHBondContact O-CB 3.19Å; G368-L371 PolarHBondContact O-N 2.89Å; K369-L371 PolarHBondContact O-N 2.89Å; L371-I373 HydrophobicContact CB-CD1 4.09Å; L371-I373 HydrophobicContact CB-CG1 4.08Å; L371-I373 HydrophobicContact CD1-CD1 4.33Å; L371-I373 PolarHBondContact O-N 2.98Å; L371-Y380 HydrophobicContact CD1-CD2 4.11Å; L371-F417 HydrophobicContact CD1-CD1 3.84Å; L371-F417 HydrophobicContact CD1-CD2 4.18Å; L371-F417 HydrophobicContact CD1-CE1 3.58Å; L371-F417 HydrophobicContact CD1-CE2 3.93Å; L371-F417 HydrophobicContact CD1-CG 4.14Å; L371-F417 HydrophobicContact CD1-CZ 3.63Å; L371-F417 HydrophobicContact CD2-CE1 3.86Å; L371-F417 HydrophobicContact CD2-CE2 4.06Å; L371-F417 HydrophobicContact CD2-CZ 3.37Å; L371-F417 HydrophobicContact CG-CE1 4.38Å; L371-F417 HydrophobicContact CG-CZ 4.15Å |
| 372 | G | 55.1 | Low | 69.2 | Low | 63 Ų | 63 | 63.8 Ų | 63.8 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 8.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G368 K369 K374 | G368-G372 PolarHBondContact O-N 3.34Å; K369-G372 PolarHBondContact O-N 2.86Å; K369-G372 VanDerWaalsContact O-N 3.13Å; G372-K374 PolarHBondContact O-N 2.03Å; G372-K374 VanDerWaalsContact O-N 3.13Å |
| 373 | I | 60.2 | Low | 69.4 | Low | 59 Ų | 59 | 61.8 Ų | 61.8 | 30% | 0.303 | 32% | 0.318 | S | S | . | . | trans | -78.5 | 99.7 | 179.4 | -54.4 | 171.9 | 0 | 0 | 0 | 108.3 | G368 L371 S376 Y380 | G368-I373 WeakPolarHBondContact O-CB 3.27Å; G368-I373 PolarHBondContact O-N 2.99Å; L371-I373 HydrophobicContact CB-CD1 4.09Å; L371-I373 HydrophobicContact CB-CG1 4.08Å; L371-I373 HydrophobicContact CD1-CD1 4.33Å; L371-I373 PolarHBondContact O-N 2.98Å; I373-S376 WeakPolarHBondContact CB-OG 3.05Å; I373-S376 PolarHBondContact O-N 3.46Å; I373-S376 PolarHBondContact O-OG 3.34Å; I373-Y380 HydrophobicContact CD1-CE2 4.17Å | ||
| 374 | K | 43.6 | Very low | 69.7 | Low | 189 Ų | 189 | 62.8 Ų | 62.8 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 142.3 | 175 | -66 | -175 | 178.2 | -177.8 | 0 | 110.6 | G372 S376 | G372-K374 PolarHBondContact O-N 2.03Å; G372-K374 VanDerWaalsContact O-N 3.13Å; K374-S376 PolarHBondContact O-N 3.2Å; K374-S376 VanDerWaalsContact O-N 3.17Å |
| 375 | D | 52.4 | Low | 70.6 | Confident | 139 Ų | 139 | 62.1 Ų | 62.1 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 13.1 | 179 | -48.8 | -38.6 | 0 | 0 | 0 | 116.5 | K312 D377 | K312-D375 WeakPolarHBondContact CE-O 3.43Å; K312-D375 PolarHBondContact NZ-O 2.91Å; D375-D377 PolarHBondContact O-N 3.37Å |
| 376 | S | 57.2 | Low | 71.4 | Confident | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | trans | -84.9 | 108.5 | 170.7 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | G368 K369 I373 K374 M378 | G368-S376 VanDerWaalsContact CA-OG 3.29Å; G368-S376 WeakPolarHBondContact CA-OG 3.15Å; K369-S376 VanDerWaalsContact CE-O 3.26Å; K369-S376 WeakPolarHBondContact CE-O 3.41Å; I373-S376 WeakPolarHBondContact CB-OG 3.05Å; I373-S376 PolarHBondContact O-N 3.46Å; I373-S376 PolarHBondContact O-OG 3.34Å; K374-S376 PolarHBondContact O-N 3.2Å; K374-S376 VanDerWaalsContact O-N 3.17Å; S376-M378 VanDerWaalsContact C-N 3.26Å; S376-M378 PolarHBondContact O-N 3.48Å | ||
| 377 | D | 65.1 | Low | 72.2 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | trans | -98.2 | 55.5 | 164.2 | -51.7 | -71.5 | 0 | 0 | 0 | 108.1 | K312 K369 D375 | K312-D377 IonicContact NZ-OD2 3.46Å; K312-D377 PolarHBondContact NZ-OD2 2.82Å; K369-D377 WeakPolarHBondContact CE-OD1 2.98Å; K369-D377 IonicContact NZ-OD1 2.65Å; K369-D377 PolarHBondContact NZ-OD1 2.66Å; D375-D377 PolarHBondContact O-N 3.37Å | ||
| 378 | M | 71.9 | Confident | 72.8 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | trans | -139.9 | 123.6 | -165.4 | -75.9 | -85 | -59.5 | 0 | 0 | 109.4 | A313 G368 S376 Y380 I419 R423 | A313-M378 HydrophobicContact CB-CE 3.75Å; A313-M378 HydrophobicContact CB-SD 4.01Å; G368-M378 PolarHBondContact N-O 2.95Å; S376-M378 VanDerWaalsContact C-N 3.26Å; S376-M378 PolarHBondContact O-N 3.48Å; M378-Y380 HydrophobicContact CB-CE2 3.95Å; M378-Y380 WeakPolarHBondContact O-CD2 3.35Å; M378-Y380 WeakPolarHBondContact O-CE2 3.47Å; M378-I419 HydrophobicContact CE-CG2 4.38Å; M378-R423 HydrophobicContact CE-CG 4.15Å; M378-R423 HydrophobicContact SD-CG 4.31Å | ||
| 379 | D | 81.3 | Confident | 73.6 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 143.6 | 167.1 | -55.2 | -66.3 | 0 | 0 | 0 | 110.6 | R366 P420 | R366-D379 WeakPolarHBondContact O-CA 3.43Å; D379-P420 WeakPolarHBondContact O-CD 3.37Å; D379-P420 VanDerWaalsContact O-CG 3.29Å; D379-P420 WeakPolarHBondContact O-CG 3.31Å |
| 380 | Y | 85.8 | Confident | 74.5 | Confident | 21 Ų | 21 | 63 Ų | 63 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.7 | 174.4 | -63.6 | -89.3 | 0 | 0 | 0 | 111 | R366 L371 I373 M378 F417 I419 | R366-Y380 WeakPolarHBondContact CB-O 3.03Å; R366-Y380 PolarHBondContact N-O 2.93Å; R366-Y380 PolarHBondContact O-N 2.65Å; L371-Y380 HydrophobicContact CD1-CD2 4.11Å; I373-Y380 HydrophobicContact CD1-CE2 4.17Å; M378-Y380 HydrophobicContact CB-CE2 3.95Å; M378-Y380 WeakPolarHBondContact O-CD2 3.35Å; M378-Y380 WeakPolarHBondContact O-CE2 3.47Å; Y380-F417 HydrophobicContact CD1-CB 4.49Å; Y380-I419 HydrophobicContact CE1-CG1 4.25Å |
| 381 | I | 89.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.8 | 164.7 | -62.6 | 162.4 | 0 | 0 | 0 | 107.1 | L337 V361 L396 I404 F417 A418 P420 | L337-I381 HydrophobicContact CD1-CD1 3.46Å; L337-I381 VanDerWaalsContact CD1-CD1 3.46Å; L337-I381 HydrophobicContact CD1-CG1 3.83Å; L337-I381 HydrophobicContact CD1-CG2 4.41Å; V361-I381 HydrophobicContact CG1-CG2 4.34Å; V361-I381 HydrophobicContact CG2-CG2 4.43Å; I381-L396 HydrophobicContact CG2-CD2 4.03Å; I381-I404 WeakPolarHBondContact CD1-O 3.29Å; I381-F417 CarbonylContact O-C 3.54Å; I381-F417 WeakPolarHBondContact O-CA 3.44Å; I381-A418 HydrophobicContact CB-CB 4.39Å; I381-A418 PolarHBondContact N-O 3.24Å; I381-A418 PolarHBondContact O-N 3.31Å; I381-P420 HydrophobicContact CD1-CB 4.26Å; I381-P420 HydrophobicContact CG1-CB 4.39Å; I381-P420 HydrophobicContact CG1-CG 4.26Å |
| 382 | Q | 88.8 | Confident | 77.2 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.6 | 173.1 | -172.4 | -176 | -44.4 | 0 | 0 | 110.2 | S362 T363 I415 F417 | S362-Q382 PolarHBondContact N-O 3.4Å; T363-Q382 PolarHBondContact N-O 3.07Å; T363-Q382 PolarHBondContact O-N 2.94Å; Q382-I415 HydrophobicContact CG-CG2 4.07Å; Q382-F417 HydrophobicContact CB-CD1 4.14Å; Q382-F417 HydrophobicContact CB-CE1 3.77Å; Q382-F417 HydrophobicContact CG-CD1 4.35Å; Q382-F417 HydrophobicContact CG-CE1 3.7Å; Q382-F417 HydrophobicContact CG-CZ 4.2Å |
| 383 | T | 90.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.4 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | V343 I360 A385 L396 S416 | V343-T383 WeakPolarHBondContact CG2-OG1 3.35Å; I360-T383 WeakPolarHBondContact O-CA 3.18Å; I360-T383 VanDerWaalsContact O-CB 3.28Å; I360-T383 WeakPolarHBondContact O-CB 3.39Å; I360-T383 PolarHBondContact O-OG1 3.45Å; T383-A385 VanDerWaalsContact C-N 3.34Å; T383-A385 HydrophobicContact CG2-CB 3.9Å; T383-A385 WeakPolarHBondContact OG1-CB 3.48Å; T383-A385 PolarHBondContact OG1-N 2.82Å; T383-A385 VanDerWaalsContact OG1-N 3.08Å; T383-L396 HydrophobicContact CG2-CD1 4.45Å; T383-S416 PolarHBondContact N-O 2.65Å; T383-S416 PolarHBondContact O-N 2.72Å |
| 384 | D | 91 | Very high | 80.8 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -82.6 | -11.3 | 168.2 | 66.4 | -23.5 | 0 | 0 | 0 | 112.9 | G359 I360 I386 G414 | G359-D384 WeakPolarHBondContact CA-OD1 3.03Å; I360-D384 PolarHBondContact N-OD1 2.89Å; D384-I386 PolarHBondContact O-N 3.01Å; D384-G414 WeakPolarHBondContact CA-O 3.25Å |
| 385 | A | 92.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -54 | 126.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | V343 A345 T383 I387 S416 | V343-A385 HydrophobicContact CG2-CB 4.47Å; A345-A385 HydrophobicContact CB-CB 4.19Å; T383-A385 VanDerWaalsContact C-N 3.34Å; T383-A385 HydrophobicContact CG2-CB 3.9Å; T383-A385 WeakPolarHBondContact OG1-CB 3.48Å; T383-A385 PolarHBondContact OG1-N 2.82Å; T383-A385 VanDerWaalsContact OG1-N 3.08Å; A385-I387 PolarHBondContact O-N 2.85Å; A385-I387 VanDerWaalsContact O-N 3.14Å; A385-S416 VanDerWaalsContact O-CB 3.25Å; A385-S416 WeakPolarHBondContact O-CB 3.26Å; A385-S416 PolarHBondContact O-OG 3.46Å |
| 386 | I | 89.3 | Confident | 85.5 | Confident | 89 Ų | 89 | 33.7 Ų | 33.7 | 46% | 0.456 | 17% | 0.165 | S | C | . | . | trans | -74.7 | 111.6 | -170.2 | -61.9 | 172.9 | 0 | 0 | 0 | 110 | T357 D384 N391 | T357-I386 WeakPolarHBondContact CB-O 3.41Å; T357-I386 HydrophobicContact CG2-CB 4.09Å; T357-I386 WeakPolarHBondContact CG2-O 3.34Å; T357-I386 PolarHBondContact OG1-N 3.11Å; T357-I386 PolarHBondContact OG1-O 2.74Å; D384-I386 PolarHBondContact O-N 3.01Å; I386-N391 PolarHBondContact O-ND2 2.94Å | ||
| 387 | I | 85.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | trans | -91.6 | 141 | 170.8 | -63.7 | 177.5 | 0 | 0 | 0 | 109.8 | A345 A385 N391 N407 K410 S416 F417 | A345-I387 HydrophobicContact CB-CG1 4.45Å; A385-I387 PolarHBondContact O-N 2.85Å; A385-I387 VanDerWaalsContact O-N 3.14Å; I387-N391 VanDerWaalsContact CA-OD1 3.32Å; I387-N391 WeakPolarHBondContact CA-OD1 3.09Å; I387-N407 HydrophobicContact CD1-CB 3.7Å; I387-N407 HydrophobicContact CG1-CB 4.1Å; I387-N407 HydrophobicContact CG2-CB 4.19Å; I387-K410 WeakPolarHBondContact O-CD 3.38Å; I387-S416 PolarHBondContact N-OG 3.3Å; I387-F417 VanDerWaalsContact CD1-O 3.27Å; I387-F417 WeakPolarHBondContact CD1-O 3.32Å | ||
| 388 | N | 83.4 | Confident | 89 | Confident | 71 Ų | 71 | 29.3 Ų | 29.3 | 38% | 0.38 | 14% | 0.141 | S | C | . | . | trans | -147.3 | 177 | 176.2 | 68.2 | 22.3 | 0 | 0 | 0 | 110.7 | G390 N391 S392 | N388-G390 PolarHBondContact O-N 2.65Å; N388-G390 VanDerWaalsContact OD1-CA 3.22Å; N388-G390 WeakPolarHBondContact OD1-CA 3.38Å; N388-G390 PolarHBondContact OD1-N 3.19Å; N388-N391 PolarHBondContact N-OD1 2.93Å; N388-N391 PolarHBondContact O-N 3.35Å; N388-N391 VanDerWaalsContact O-N 3.12Å; N388-N391 PolarHBondContact O-OD1 3.09Å; N388-N391 PolarHBondContact OD1-N 2.96Å; N388-N391 VanDerWaalsContact OD1-N 3.15Å; N388-N391 PolarHBondContact OD1-OD1 3.21Å; N388-S392 PolarHBondContact O-N 2.88Å | ||
| 389 | Y | 79.2 | Confident | 90.2 | Very high | 212 Ų | 212 | 32.2 Ų | 32.2 | 83% | 0.831 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.4 | 176.6 | -61.6 | -70.9 | 0 | 0 | 0 | 114.6 | ||
| 390 | G | 80.6 | Confident | 91 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -29.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S263 N388 | S263-G390 PolarHBondContact OG-O 2.76Å; N388-G390 PolarHBondContact O-N 2.65Å; N388-G390 VanDerWaalsContact OD1-CA 3.22Å; N388-G390 WeakPolarHBondContact OD1-CA 3.38Å; N388-G390 PolarHBondContact OD1-N 3.19Å |
| 391 | N | 90.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -4.4 | 176.6 | 66.9 | -3 | 0 | 0 | 0 | 115.5 | A345 T357 I386 I387 N388 G394 N407 | A345-N391 PolarHBondContact O-ND2 3.22Å; A345-N391 VanDerWaalsContact O-ND2 3.14Å; T357-N391 PolarHBondContact OG1-ND2 3.16Å; I386-N391 PolarHBondContact O-ND2 2.94Å; I387-N391 VanDerWaalsContact CA-OD1 3.32Å; I387-N391 WeakPolarHBondContact CA-OD1 3.09Å; N388-N391 PolarHBondContact N-OD1 2.93Å; N388-N391 PolarHBondContact O-N 3.35Å; N388-N391 VanDerWaalsContact O-N 3.12Å; N388-N391 PolarHBondContact O-OD1 3.09Å; N388-N391 PolarHBondContact OD1-N 2.96Å; N388-N391 VanDerWaalsContact OD1-N 3.15Å; N388-N391 PolarHBondContact OD1-OD1 3.21Å; N391-G394 WeakPolarHBondContact O-CA 3.43Å; N391-G394 PolarHBondContact O-N 3.01Å; N391-N407 VanDerWaalsContact O-CB 3.25Å; N391-N407 WeakPolarHBondContact O-CB 3.4Å; N391-N407 PolarHBondContact O-ND2 3.15Å; N391-N407 VanDerWaalsContact O-ND2 3.13Å |
| 392 | S | 89.4 | Confident | 91.9 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 138.3 | 164.9 | -173 | 0 | 0 | 0 | 0 | 111.7 | S263 H278 N388 G394 N407 T408 | S263-S392 WeakPolarHBondContact CB-O 3.33Å; S263-S392 PolarHBondContact N-O 3.45Å; H278-S392 PolarHBondContact CE1-OG 3.49Å; H278-S392 PolarHBondContact NE2-OG 2.95Å; N388-S392 PolarHBondContact O-N 2.88Å; S392-G394 PolarHBondContact O-N 2.97Å; S392-N407 CarbonylContact C-O 3.43Å; S392-N407 WeakPolarHBondContact CA-O 3.02Å; S392-T408 PolarHBondContact OG-O 3.11Å |
| 393 | G | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -17 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S263 G264 N276 N407 | S263-G393 CarbonylContact O-C 3.42Å; S263-G393 VanDerWaalsContact O-CA 3.28Å; S263-G393 WeakPolarHBondContact O-CA 3.47Å; G264-G393 WeakPolarHBondContact CA-O 3.43Å; N276-G393 WeakPolarHBondContact OD1-CA 3.2Å; N276-G393 PolarHBondContact OD1-N 2.68Å; G393-N407 PolarHBondContact N-O 2.83Å |
| 394 | G | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -75.5 | 168.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N391 S392 N407 | N391-G394 WeakPolarHBondContact O-CA 3.43Å; N391-G394 PolarHBondContact O-N 3.01Å; S392-G394 PolarHBondContact O-N 2.97Å; G394-N407 WeakPolarHBondContact O-CB 3.33Å; G394-N407 PolarHBondContact O-N 2.92Å; G394-N407 PolarHBondContact O-ND2 3.04Å |
| 395 | P | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 146.2 | -179.6 | 31.3 | -31.5 | 0 | 0 | 0 | 112.1 | V241 F265 L329 I346 V397 V403 N407 | V241-P395 HydrophobicContact CG2-CG 4.15Å; F265-P395 HydrophobicContact CB-CB 4.36Å; F265-P395 HydrophobicContact CB-CG 3.93Å; F265-P395 HydrophobicContact CD1-CB 3.7Å; F265-P395 HydrophobicContact CD1-CG 4.01Å; F265-P395 HydrophobicContact CD2-CB 4.48Å; F265-P395 HydrophobicContact CE1-CB 4.06Å; F265-P395 HydrophobicContact CG-CB 3.93Å; F265-P395 HydrophobicContact CG-CG 4.05Å; L329-P395 HydrophobicContact CD1-CB 4.19Å; L329-P395 HydrophobicContact CD1-CG 3.83Å; I346-P395 HydrophobicContact CG2-CG 3.69Å; I346-P395 PolarHBondContact N-O 3.31Å; I346-P395 WeakPolarHBondContact O-CD 3.47Å; P395-V397 HydrophobicContact CB-CG1 4.05Å; P395-V397 HydrophobicContact CG-CG1 4.42Å; P395-V403 HydrophobicContact CB-CB 4.4Å; P395-V403 HydrophobicContact CB-CG1 3.85Å; P395-V403 HydrophobicContact CB-CG2 3.73Å; P395-N407 PolarHBondContact O-ND2 2.94Å |
| 396 | L | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.5 | 154.5 | -171.3 | 70.3 | 0 | 0 | 0 | 107.1 | V343 A345 I381 T383 I404 G405 N407 A418 | V343-L396 HydrophobicContact CB-CD1 3.92Å; V343-L396 HydrophobicContact CB-CG 4.2Å; V343-L396 HydrophobicContact CG2-CD1 3.91Å; A345-L396 HydrophobicContact CB-CD1 3.81Å; I381-L396 HydrophobicContact CG2-CD2 4.03Å; T383-L396 HydrophobicContact CG2-CD1 4.45Å; L396-I404 HydrophobicContact CB-CG1 4.3Å; L396-I404 HydrophobicContact CD2-CD1 3.9Å; L396-I404 HydrophobicContact CD2-CG1 4.15Å; L396-I404 HydrophobicContact CG-CD1 4.04Å; L396-I404 HydrophobicContact CG-CG1 4.02Å; L396-I404 VanDerWaalsContact O-CG1 3.29Å; L396-I404 WeakPolarHBondContact O-CG1 3.46Å; L396-I404 PolarHBondContact O-N 2.99Å; L396-G405 PolarHBondContact N-O 3.13Å; L396-G405 PolarHBondContact O-N 3.39Å; L396-N407 WeakPolarHBondContact CB-OD1 3.43Å; L396-A418 HydrophobicContact CB-CB 4.26Å; L396-A418 HydrophobicContact CD2-CB 3.78Å |
| 397 | V | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 152.9 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | V233 I237 V343 V344 P395 E402 V403 | V233-V397 HydrophobicContact CG1-CG2 3.76Å; I237-V397 HydrophobicContact CD1-CG1 4.26Å; I237-V397 HydrophobicContact CD1-CG2 3.51Å; V343-V397 VanDerWaalsContact CA-O 3.26Å; V343-V397 WeakPolarHBondContact CA-O 3.27Å; V344-V397 HydrophobicContact CB-CG2 3.85Å; V344-V397 PolarHBondContact N-O 3.2Å; V344-V397 PolarHBondContact O-N 2.97Å; P395-V397 HydrophobicContact CB-CG1 4.05Å; P395-V397 HydrophobicContact CG-CG1 4.42Å; V397-E402 WeakPolarHBondContact CA-O 3.43Å; V397-E402 VanDerWaalsContact CB-O 3.28Å; V397-E402 WeakPolarHBondContact CB-O 3.42Å; V397-V403 HydrophobicContact CG1-CG2 4.12Å |
| 398 | N | 97.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -81.8 | -179.4 | 168.2 | 67 | 6.9 | 0 | 0 | 0 | 111.9 | D400 G401 E402 I404 | N398-D400 VanDerWaalsContact C-N 3.25Å; N398-D400 PolarHBondContact O-N 3.5Å; N398-D400 PolarHBondContact OD1-N 2.81Å; N398-G401 PolarHBondContact O-N 3.36Å; N398-G401 PolarHBondContact OD1-N 3.36Å; N398-G401 VanDerWaalsContact OD1-N 3.11Å; N398-E402 PolarHBondContact N-O 3.43Å; N398-E402 VanDerWaalsContact N-O 3.11Å; N398-E402 PolarHBondContact OD1-N 3.02Å; N398-E402 PolarHBondContact OD1-O 3.41Å; N398-I404 HydrophobicContact CB-CG2 3.95Å | ||
| 399 | L | 97.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 28.1 Ų | 28.1 | 36% | 0.361 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.8 | 178.4 | -64.1 | -169 | 0 | 0 | 0 | 114.6 | F229 I230 V233 F342 G401 | F229-L399 HydrophobicContact CD2-CD1 3.97Å; F229-L399 HydrophobicContact CD2-CD2 3.65Å; F229-L399 HydrophobicContact CD2-CG 4.48Å; F229-L399 HydrophobicContact CE2-CD1 4.14Å; F229-L399 HydrophobicContact CE2-CD2 3.99Å; I230-L399 HydrophobicContact CD1-CD2 4.03Å; V233-L399 HydrophobicContact CG2-CD2 4.41Å; V233-L399 VanDerWaalsContact CG2-O 3.25Å; V233-L399 WeakPolarHBondContact CG2-O 3.43Å; F342-L399 HydrophobicContact CB-CD1 4.07Å; F342-L399 HydrophobicContact CB-CD2 3.79Å; F342-L399 HydrophobicContact CB-CG 3.99Å; L399-G401 PolarHBondContact O-N 2.98Å |
| 400 | D | 96.9 | Very high | 91.6 | Very high | 114 Ų | 114 | 23 Ų | 23 | 61% | 0.61 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.3 | 170.3 | -69.9 | -63.8 | 0 | 0 | 0 | 112.4 | K236 N398 E402 | K236-D400 PolarHBondContact NZ-O 3.15Å; N398-D400 VanDerWaalsContact C-N 3.25Å; N398-D400 PolarHBondContact O-N 3.5Å; N398-D400 PolarHBondContact OD1-N 2.81Å; D400-E402 VanDerWaalsContact C-N 3.33Å; D400-E402 HydrophobicContact CB-CG 4.17Å |
| 401 | G | 96.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 27 Ų | 27 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 75.2 | 20.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N398 L399 | N398-G401 PolarHBondContact O-N 3.36Å; N398-G401 PolarHBondContact OD1-N 3.36Å; N398-G401 VanDerWaalsContact OD1-N 3.11Å; L399-G401 PolarHBondContact O-N 2.98Å |
| 402 | E | 98.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | trans | -90.6 | 143.6 | 174.3 | -48.2 | -164.3 | 119.4 | 0 | 0 | 110.5 | V397 N398 D400 I404 | V397-E402 WeakPolarHBondContact CA-O 3.43Å; V397-E402 VanDerWaalsContact CB-O 3.28Å; V397-E402 WeakPolarHBondContact CB-O 3.42Å; N398-E402 PolarHBondContact N-O 3.43Å; N398-E402 VanDerWaalsContact N-O 3.11Å; N398-E402 PolarHBondContact OD1-N 3.02Å; N398-E402 PolarHBondContact OD1-O 3.41Å; D400-E402 VanDerWaalsContact C-N 3.33Å; D400-E402 HydrophobicContact CB-CG 4.17Å; E402-I404 PolarHBondContact O-N 3.33Å | ||
| 403 | V | 98.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 115.1 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | F265 L329 S330 L331 G332 P395 V397 G405 S421 I424 | F265-V403 HydrophobicContact CD2-CG2 3.92Å; F265-V403 HydrophobicContact CE1-CG1 4.37Å; F265-V403 HydrophobicContact CE2-CB 4.23Å; F265-V403 HydrophobicContact CE2-CG1 3.88Å; F265-V403 HydrophobicContact CE2-CG2 3.85Å; F265-V403 HydrophobicContact CZ-CG1 3.74Å; F265-V403 HydrophobicContact CZ-CG2 4.48Å; L329-V403 HydrophobicContact CB-CG2 3.63Å; L329-V403 HydrophobicContact CD1-CG2 3.54Å; L329-V403 HydrophobicContact CG-CG2 4.23Å; S330-V403 PolarHBondContact O-N 3.24Å; L331-V403 WeakPolarHBondContact CA-O 3.25Å; L331-V403 HydrophobicContact CD2-CB 3.83Å; L331-V403 HydrophobicContact CD2-CG1 4.14Å; G332-V403 PolarHBondContact N-O 2.9Å; P395-V403 HydrophobicContact CB-CB 4.4Å; P395-V403 HydrophobicContact CB-CG1 3.85Å; P395-V403 HydrophobicContact CB-CG2 3.73Å; V397-V403 HydrophobicContact CG1-CG2 4.12Å; V403-G405 VanDerWaalsContact CG1-O 3.22Å; V403-G405 WeakPolarHBondContact CG1-O 3.39Å; V403-S421 VanDerWaalsContact O-CB 3.23Å; V403-S421 WeakPolarHBondContact O-CB 3.32Å; V403-I424 HydrophobicContact CG1-CD1 4.48Å |
| 404 | I | 97.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -12.7 | 175.5 | 61.6 | 161.2 | 0 | 0 | 0 | 112 | L337 V343 I381 L396 N398 E402 S421 | L337-I404 HydrophobicContact CD1-CB 4.24Å; L337-I404 HydrophobicContact CD1-CD1 4.05Å; L337-I404 HydrophobicContact CD2-CB 4.11Å; L337-I404 HydrophobicContact CD2-CD1 3.63Å; L337-I404 HydrophobicContact CD2-CG1 4.49Å; L337-I404 HydrophobicContact CD2-CG2 3.94Å; V343-I404 HydrophobicContact CB-CD1 4.39Å; V343-I404 HydrophobicContact CG1-CD1 3.47Å; V343-I404 VanDerWaalsContact CG1-CD1 3.47Å; I381-I404 WeakPolarHBondContact CD1-O 3.29Å; L396-I404 HydrophobicContact CB-CG1 4.3Å; L396-I404 HydrophobicContact CD2-CD1 3.9Å; L396-I404 HydrophobicContact CD2-CG1 4.15Å; L396-I404 HydrophobicContact CG-CD1 4.04Å; L396-I404 HydrophobicContact CG-CG1 4.02Å; L396-I404 VanDerWaalsContact O-CG1 3.29Å; L396-I404 WeakPolarHBondContact O-CG1 3.46Å; L396-I404 PolarHBondContact O-N 2.99Å; N398-I404 HydrophobicContact CB-CG2 3.95Å; E402-I404 PolarHBondContact O-N 3.33Å; I404-S421 WeakPolarHBondContact O-CB 2.94Å; I404-S421 PolarHBondContact O-N 2.83Å; I404-S421 PolarHBondContact O-OG 3.12Å |
| 405 | G | 96.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 179.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L396 V403 I419 | L396-G405 PolarHBondContact N-O 3.13Å; L396-G405 PolarHBondContact O-N 3.39Å; V403-G405 VanDerWaalsContact CG1-O 3.22Å; V403-G405 WeakPolarHBondContact CG1-O 3.39Å; G405-I419 CarbonylContact C-O 3.6Å; G405-I419 WeakPolarHBondContact CA-O 3.36Å |
| 406 | I | 96.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.6 | 171.3 | -43 | 179.2 | 0 | 0 | 0 | 108.8 | F265 V274 I315 T408 A418 I419 I424 | F265-I406 HydrophobicContact CE1-CG1 4.24Å; F265-I406 HydrophobicContact CZ-CG1 4.4Å; V274-I406 HydrophobicContact CG1-CD1 3.48Å; V274-I406 VanDerWaalsContact CG1-CD1 3.48Å; V274-I406 HydrophobicContact CG1-CG1 4.15Å; I315-I406 HydrophobicContact CG1-CD1 4.2Å; I315-I406 HydrophobicContact CG2-CD1 3.99Å; I406-T408 VanDerWaalsContact O-CG2 3.3Å; I406-T408 WeakPolarHBondContact O-CG2 3.08Å; I406-T408 PolarHBondContact O-N 3.31Å; I406-A418 CarbonylContact O-C 3.57Å; I406-A418 WeakPolarHBondContact O-CA 3.47Å; I406-A418 WeakPolarHBondContact O-CB 3.28Å; I406-I419 HydrophobicContact CB-CB 4.37Å; I406-I419 HydrophobicContact CB-CD1 4.4Å; I406-I419 HydrophobicContact CD1-CD1 4.32Å; I406-I419 HydrophobicContact CG1-CB 4.49Å; I406-I419 PolarHBondContact N-O 2.81Å; I406-I419 PolarHBondContact O-N 2.79Å; I406-I424 HydrophobicContact CD1-CD1 4.03Å; I406-I424 HydrophobicContact CD1-CG1 4.08Å; I406-I424 HydrophobicContact CG1-CD1 3.43Å; I406-I424 VanDerWaalsContact CG1-CD1 3.43Å; I406-I424 HydrophobicContact CG1-CG1 3.97Å |
| 407 | N | 94.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 125 | 173.3 | -58.9 | -39.3 | 0 | 0 | 0 | 110.2 | N276 A345 I346 I387 N391 S392 G393 G394 P395 L396 | N276-N407 PolarHBondContact OD1-O 2.88Å; A345-N407 WeakPolarHBondContact CB-OD1 3.4Å; I346-N407 PolarHBondContact O-ND2 3.38Å; I387-N407 HydrophobicContact CD1-CB 3.7Å; I387-N407 HydrophobicContact CG1-CB 4.1Å; I387-N407 HydrophobicContact CG2-CB 4.19Å; N391-N407 VanDerWaalsContact O-CB 3.25Å; N391-N407 WeakPolarHBondContact O-CB 3.4Å; N391-N407 PolarHBondContact O-ND2 3.15Å; N391-N407 VanDerWaalsContact O-ND2 3.13Å; S392-N407 CarbonylContact C-O 3.43Å; S392-N407 WeakPolarHBondContact CA-O 3.02Å; G393-N407 PolarHBondContact N-O 2.83Å; G394-N407 WeakPolarHBondContact O-CB 3.33Å; G394-N407 PolarHBondContact O-N 2.92Å; G394-N407 PolarHBondContact O-ND2 3.04Å; P395-N407 PolarHBondContact O-ND2 2.94Å; L396-N407 WeakPolarHBondContact CB-OD1 3.43Å |
| 408 | T | 83.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | -63.4 | -176.3 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | N276 S392 I406 F417 I419 | N276-T408 WeakPolarHBondContact ND2-CG2 3.45Å; S392-T408 PolarHBondContact OG-O 3.11Å; I406-T408 VanDerWaalsContact O-CG2 3.3Å; I406-T408 WeakPolarHBondContact O-CG2 3.08Å; I406-T408 PolarHBondContact O-N 3.31Å; T408-F417 PolarHBondContact N-O 2.85Å; T408-F417 VanDerWaalsContact N-O 3.07Å; T408-F417 PolarHBondContact OG1-O 2.96Å; T408-I419 HydrophobicContact CG2-CD1 3.44Å; T408-I419 VanDerWaalsContact CG2-CD1 3.44Å; T408-I419 HydrophobicContact CG2-CG1 3.61Å |
| 409 | L | 66.9 | Low | 83.7 | Confident | 88 Ų | 88 | 38.9 Ų | 38.9 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.5 | -163.8 | -67.7 | 175.9 | 0 | 0 | 0 | 110.9 | S416 F417 | L409-S416 CarbonylContact O-C 3.6Å; L409-S416 WeakPolarHBondContact O-CA 3.37Å; L409-F417 PolarHBondContact N-O 3.32Å; L409-F417 PolarHBondContact O-N 3.22Å |
| 410 | K | 59.5 | Low | 83.5 | Confident | 103 Ų | 103 | 36.5 Ų | 36.5 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.1 | 166.8 | 177.2 | -178.2 | 173.8 | -177.8 | 0 | 107.9 | I387 T412 | I387-K410 WeakPolarHBondContact O-CD 3.38Å; K410-T412 WeakPolarHBondContact CE-O 3.16Å; K410-T412 VanDerWaalsContact CG-O 3.22Å; K410-T412 WeakPolarHBondContact CG-O 3.44Å |
| 411 | V | 57.7 | Low | 83.4 | Confident | 92 Ų | 92 | 31 Ų | 31 | 56% | 0.558 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -39.1 | -178.2 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | I415 F417 | V411-I415 PolarHBondContact N-O 3.2Å; V411-I415 VanDerWaalsContact N-O 3.15Å; V411-F417 HydrophobicContact CB-CE2 4.14Å; V411-F417 HydrophobicContact CG2-CD2 3.8Å; V411-F417 HydrophobicContact CG2-CE2 3.62Å |
| 412 | T | 56.3 | Low | 83.3 | Confident | 70 Ų | 70 | 33.5 Ų | 33.5 | 43% | 0.429 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | -178.3 | 175.6 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | K410 I415 | K410-T412 WeakPolarHBondContact CE-O 3.16Å; K410-T412 VanDerWaalsContact CG-O 3.22Å; K410-T412 WeakPolarHBondContact CG-O 3.44Å; T412-I415 WeakPolarHBondContact OG1-CB 3.15Å; T412-I415 WeakPolarHBondContact OG1-CG1 3.22Å |
| 413 | A | 62.7 | Low | 83 | Confident | 90 Ų | 90 | 33.5 Ų | 33.5 | 74% | 0.744 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 128.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I415 | A413-I415 VanDerWaalsContact C-N 3.31Å; A413-I415 PolarHBondContact O-N 2.04Å |
| 414 | G | 66.9 | Low | 82.7 | Confident | 41 Ų | 41 | 33.5 Ų | 33.5 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 4.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D384 | D384-G414 WeakPolarHBondContact CA-O 3.25Š|
| 415 | I | 74.8 | Confident | 82.6 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 31% | 0.308 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 104.3 | 174.2 | -49.4 | -177.7 | 0 | 0 | 0 | 110.1 | Q382 V411 T412 A413 F417 | Q382-I415 HydrophobicContact CG-CG2 4.07Å; V411-I415 PolarHBondContact N-O 3.2Å; V411-I415 VanDerWaalsContact N-O 3.15Å; T412-I415 WeakPolarHBondContact OG1-CB 3.15Å; T412-I415 WeakPolarHBondContact OG1-CG1 3.22Å; A413-I415 VanDerWaalsContact C-N 3.31Å; A413-I415 PolarHBondContact O-N 2.04Å; I415-F417 HydrophobicContact CG2-CE1 4.36Å; I415-F417 HydrophobicContact CG2-CE2 3.61Å; I415-F417 HydrophobicContact CG2-CZ 3.46Å; I415-F417 VanDerWaalsContact CG2-CZ 3.46Å |
| 416 | S | 84.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 156.3 | 173.3 | -45.8 | 0 | 0 | 0 | 0 | 110.7 | T383 A385 I387 L409 | T383-S416 PolarHBondContact N-O 2.65Å; T383-S416 PolarHBondContact O-N 2.72Å; A385-S416 VanDerWaalsContact O-CB 3.25Å; A385-S416 WeakPolarHBondContact O-CB 3.26Å; A385-S416 PolarHBondContact O-OG 3.46Å; I387-S416 PolarHBondContact N-OG 3.3Å; L409-S416 CarbonylContact O-C 3.6Å; L409-S416 WeakPolarHBondContact O-CA 3.37Å |
| 417 | F | 87.7 | Confident | 82.3 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.2 | -176.7 | -64.6 | -75.7 | 0 | 0 | 0 | 113 | R366 L371 Y380 I381 Q382 I387 T408 L409 V411 I415 | R366-F417 HydrophobicContact CG-CE1 4.19Å; L371-F417 HydrophobicContact CD1-CD1 3.84Å; L371-F417 HydrophobicContact CD1-CD2 4.18Å; L371-F417 HydrophobicContact CD1-CE1 3.58Å; L371-F417 HydrophobicContact CD1-CE2 3.93Å; L371-F417 HydrophobicContact CD1-CG 4.14Å; L371-F417 HydrophobicContact CD1-CZ 3.63Å; L371-F417 HydrophobicContact CD2-CE1 3.86Å; L371-F417 HydrophobicContact CD2-CE2 4.06Å; L371-F417 HydrophobicContact CD2-CZ 3.37Å; L371-F417 HydrophobicContact CG-CE1 4.38Å; L371-F417 HydrophobicContact CG-CZ 4.15Å; Y380-F417 HydrophobicContact CD1-CB 4.49Å; I381-F417 CarbonylContact O-C 3.54Å; I381-F417 WeakPolarHBondContact O-CA 3.44Å; Q382-F417 HydrophobicContact CB-CD1 4.14Å; Q382-F417 HydrophobicContact CB-CE1 3.77Å; Q382-F417 HydrophobicContact CG-CD1 4.35Å; Q382-F417 HydrophobicContact CG-CE1 3.7Å; Q382-F417 HydrophobicContact CG-CZ 4.2Å; I387-F417 VanDerWaalsContact CD1-O 3.27Å; I387-F417 WeakPolarHBondContact CD1-O 3.32Å; T408-F417 PolarHBondContact N-O 2.85Å; T408-F417 VanDerWaalsContact N-O 3.07Å; T408-F417 PolarHBondContact OG1-O 2.96Å; L409-F417 PolarHBondContact N-O 3.32Å; L409-F417 PolarHBondContact O-N 3.22Å; V411-F417 HydrophobicContact CB-CE2 4.14Å; V411-F417 HydrophobicContact CG2-CD2 3.8Å; V411-F417 HydrophobicContact CG2-CE2 3.62Å; I415-F417 HydrophobicContact CG2-CE1 4.36Å; I415-F417 HydrophobicContact CG2-CE2 3.61Å; I415-F417 HydrophobicContact CG2-CZ 3.46Å; I415-F417 VanDerWaalsContact CG2-CZ 3.46Å |
| 418 | A | 91.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | I381 L396 I406 | I381-A418 HydrophobicContact CB-CB 4.39Å; I381-A418 PolarHBondContact N-O 3.24Å; I381-A418 PolarHBondContact O-N 3.31Å; L396-A418 HydrophobicContact CB-CB 4.26Å; L396-A418 HydrophobicContact CD2-CB 3.78Å; I406-A418 CarbonylContact O-C 3.57Å; I406-A418 WeakPolarHBondContact O-CA 3.47Å; I406-A418 WeakPolarHBondContact O-CB 3.28Å |
| 419 | I | 92.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.1 | 172.8 | -65.5 | 155.7 | 0 | 0 | 0 | 108.7 | N276 A313 D314 I315 M378 Y380 G405 I406 T408 R423 | N276-I419 VanDerWaalsContact ND2-CD1 3.33Å; N276-I419 WeakPolarHBondContact ND2-CD1 3.37Å; A313-I419 WeakPolarHBondContact O-CD1 3.5Å; D314-I419 HydrophobicContact CB-CD1 4.4Å; I315-I419 HydrophobicContact CD1-CG2 3.94Å; I315-I419 HydrophobicContact CG1-CD1 3.97Å; I315-I419 HydrophobicContact CG1-CG2 4.15Å; M378-I419 HydrophobicContact CE-CG2 4.38Å; Y380-I419 HydrophobicContact CE1-CG1 4.25Å; G405-I419 CarbonylContact C-O 3.6Å; G405-I419 WeakPolarHBondContact CA-O 3.36Å; I406-I419 HydrophobicContact CB-CB 4.37Å; I406-I419 HydrophobicContact CB-CD1 4.4Å; I406-I419 HydrophobicContact CD1-CD1 4.32Å; I406-I419 HydrophobicContact CG1-CB 4.49Å; I406-I419 PolarHBondContact N-O 2.81Å; I406-I419 PolarHBondContact O-N 2.79Å; T408-I419 HydrophobicContact CG2-CD1 3.44Å; T408-I419 VanDerWaalsContact CG2-CD1 3.44Å; T408-I419 HydrophobicContact CG2-CG1 3.61Å; I419-R423 HydrophobicContact CG2-CB 4.12Å; I419-R423 HydrophobicContact CG2-CG 4.17Å |
| 420 | P | 93.8 | Very high | 83.6 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.4 | -177.8 | -20.2 | 30.1 | 0 | 0 | 0 | 114 | S334 D379 I381 D422 R423 I424 | S334-P420 VanDerWaalsContact OG-CB 3.22Å; S334-P420 WeakPolarHBondContact OG-CB 3.22Å; D379-P420 WeakPolarHBondContact O-CD 3.37Å; D379-P420 VanDerWaalsContact O-CG 3.29Å; D379-P420 WeakPolarHBondContact O-CG 3.31Å; I381-P420 HydrophobicContact CD1-CB 4.26Å; I381-P420 HydrophobicContact CG1-CB 4.39Å; I381-P420 HydrophobicContact CG1-CG 4.26Å; P420-D422 VanDerWaalsContact C-N 3.26Å; P420-D422 PolarHBondContact O-N 3.15Å; P420-R423 WeakPolarHBondContact O-CB 3.42Å; P420-R423 PolarHBondContact O-N 3.4Å; P420-I424 PolarHBondContact O-N 3.35Å |
| 421 | S | 95.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.2 | -32.3 | -178.5 | 55.4 | 0 | 0 | 0 | 0 | 114 | G332 S334 V403 I404 R423 I424 S425 | G332-S421 WeakPolarHBondContact O-CB 3.42Å; G332-S421 PolarHBondContact O-OG 2.94Å; S334-S421 VanDerWaalsContact CB-OG 3.29Å; S334-S421 WeakPolarHBondContact CB-OG 3.45Å; S334-S421 PolarHBondContact N-OG 3.36Å; S334-S421 PolarHBondContact OG-N 3.07Å; S334-S421 PolarHBondContact OG-OG 3.39Å; V403-S421 VanDerWaalsContact O-CB 3.23Å; V403-S421 WeakPolarHBondContact O-CB 3.32Å; I404-S421 WeakPolarHBondContact O-CB 2.94Å; I404-S421 PolarHBondContact O-N 2.83Å; I404-S421 PolarHBondContact O-OG 3.12Å; S421-R423 PolarHBondContact O-N 2.9Å; S421-I424 CarbonylContact O-C 3.58Å; S421-I424 WeakPolarHBondContact O-CA 3.19Å; S421-I424 VanDerWaalsContact O-CB 3.29Å; S421-I424 WeakPolarHBondContact O-CB 3.39Å; S421-I424 PolarHBondContact O-N 2.89Å; S421-S425 PolarHBondContact O-N 3.12Å; S421-S425 PolarHBondContact O-OG 3.31Å |
| 422 | D | 93.4 | Very high | 86 | Confident | 55 Ų | 55 | 45 Ų | 45 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66 | -27.8 | 178.1 | -62 | -48.9 | 0 | 0 | 0 | 112.3 | S334 A335 P420 R426 | S334-D422 WeakPolarHBondContact CA-OD2 3.46Å; S334-D422 WeakPolarHBondContact CB-OD2 3.19Å; S334-D422 PolarHBondContact N-OD2 3.02Å; S334-D422 WeakPolarHBondContact OG-CB 3.41Å; S334-D422 PolarHBondContact OG-N 3.18Å; S334-D422 PolarHBondContact OG-OD2 2.81Å; A335-D422 PolarHBondContact N-OD2 2.92Å; P420-D422 VanDerWaalsContact C-N 3.26Å; P420-D422 PolarHBondContact O-N 3.15Å; D422-R426 WeakPolarHBondContact O-CB 3.36Å; D422-R426 PolarHBondContact O-N 2.83Å; D422-R426 VanDerWaalsContact O-N 3.11Å |
| 423 | R | 91.5 | Very high | 87.3 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 26% | 0.26 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.6 | -38.4 | 170.1 | -174.7 | 72.7 | -166.6 | -160.8 | 5.3 | 111.1 | D310 A313 I315 M378 I419 P420 S421 F427 | D310-R423 IonicContact OD2-CZ 2.73Å; D310-R423 IonicContact OD2-NH2 2.67Å; D310-R423 PolarHBondContact OD2-NH2 2.93Å; A313-R423 HydrophobicContact CB-CG 4.37Å; I315-R423 HydrophobicContact CD1-CB 4.5Å; I315-R423 HydrophobicContact CD1-CG 3.74Å; M378-R423 HydrophobicContact CE-CG 4.15Å; M378-R423 HydrophobicContact SD-CG 4.31Å; I419-R423 HydrophobicContact CG2-CB 4.12Å; I419-R423 HydrophobicContact CG2-CG 4.17Å; P420-R423 WeakPolarHBondContact O-CB 3.42Å; P420-R423 PolarHBondContact O-N 3.4Å; S421-R423 PolarHBondContact O-N 2.9Å; R423-F427 WeakPolarHBondContact O-CB 3.38Å; R423-F427 PolarHBondContact O-N 2.8Å |
| 424 | I | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 174.4 | -44 | 173.4 | 0 | 0 | 0 | 110.2 | F265 V274 L331 V403 I406 P420 S421 R426 F427 L428 | F265-I424 HydrophobicContact CZ-CD1 4.25Å; V274-I424 HydrophobicContact CG1-CG2 3.93Å; V274-I424 HydrophobicContact CG2-CG2 4.12Å; L331-I424 HydrophobicContact CD1-CB 4.08Å; L331-I424 HydrophobicContact CD1-CG2 4Å; L331-I424 HydrophobicContact CD2-CD1 4.44Å; V403-I424 HydrophobicContact CG1-CD1 4.48Å; I406-I424 HydrophobicContact CD1-CD1 4.03Å; I406-I424 HydrophobicContact CD1-CG1 4.08Å; I406-I424 HydrophobicContact CG1-CD1 3.43Å; I406-I424 VanDerWaalsContact CG1-CD1 3.43Å; I406-I424 HydrophobicContact CG1-CG1 3.97Å; P420-I424 PolarHBondContact O-N 3.35Å; S421-I424 CarbonylContact O-C 3.58Å; S421-I424 WeakPolarHBondContact O-CA 3.19Å; S421-I424 VanDerWaalsContact O-CB 3.29Å; S421-I424 WeakPolarHBondContact O-CB 3.39Å; S421-I424 PolarHBondContact O-N 2.89Å; I424-R426 VanDerWaalsContact C-N 3.33Å; I424-R426 PolarHBondContact O-N 3.1Å; I424-F427 PolarHBondContact O-N 3.46Å; I424-L428 HydrophobicContact CG2-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CG 4.32Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.35Å |
| 425 | S | 94.3 | Very high | 88.5 | Confident | 41 Ų | 41 | 49 Ų | 49 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57 | -43.9 | 178 | -66 | 0 | 0 | 0 | 0 | 112.1 | L331 S421 T429 | L331-S425 VanDerWaalsContact CD1-OG 3.31Å; L331-S425 WeakPolarHBondContact CD1-OG 3.49Å; S421-S425 PolarHBondContact O-N 3.12Å; S421-S425 PolarHBondContact O-OG 3.31Å; S425-T429 WeakPolarHBondContact O-CB 3.43Å; S425-T429 PolarHBondContact O-N 3.39Å; S425-T429 PolarHBondContact O-OG1 3.02Å |
| 426 | R | 92.9 | Very high | 88.7 | Confident | 137 Ų | 137 | 49.6 Ų | 49.6 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -50.9 | 174.2 | -169.4 | 179.4 | -56.9 | 157 | 8.2 | 111.8 | D422 I424 L428 T429 E430 | D422-R426 WeakPolarHBondContact O-CB 3.36Å; D422-R426 PolarHBondContact O-N 2.83Å; D422-R426 VanDerWaalsContact O-N 3.11Å; I424-R426 VanDerWaalsContact C-N 3.33Å; I424-R426 PolarHBondContact O-N 3.1Å; R426-L428 PolarHBondContact O-N 2.97Å; R426-T429 PolarHBondContact O-N 3.22Å; R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 3Å |
| 427 | F | 93.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -43 | 178.7 | 175.3 | -106.2 | 0 | 0 | 0 | 112.9 | D308 D310 I315 T317 R423 I424 E430 S431 | D308-F427 HydrophobicContact CB-CE2 4.4Å; D308-F427 HydrophobicContact CB-CZ 3.88Å; D310-F427 HydrophobicContact CB-CD2 3.89Å; D310-F427 HydrophobicContact CB-CE2 3.68Å; I315-F427 HydrophobicContact CB-CD1 4.21Å; I315-F427 HydrophobicContact CB-CE1 4.26Å; I315-F427 HydrophobicContact CB-CG 4.47Å; I315-F427 HydrophobicContact CD1-CB 4.3Å; I315-F427 HydrophobicContact CG2-CD1 3.46Å; I315-F427 VanDerWaalsContact CG2-CD1 3.46Å; I315-F427 HydrophobicContact CG2-CE1 3.58Å; I315-F427 HydrophobicContact CG2-CG 4.14Å; I315-F427 HydrophobicContact CG2-CZ 4.33Å; T317-F427 HydrophobicContact CG2-CD1 4.34Å; T317-F427 HydrophobicContact CG2-CE1 3.79Å; R423-F427 WeakPolarHBondContact O-CB 3.38Å; R423-F427 PolarHBondContact O-N 2.8Å; I424-F427 PolarHBondContact O-N 3.46Å; F427-E430 PolarHBondContact O-N 3.36Å; F427-S431 VanDerWaalsContact O-CB 3.29Å; F427-S431 WeakPolarHBondContact O-CB 3.28Å; F427-S431 PolarHBondContact O-N 2.83Å |
| 428 | L | 92.6 | Very high | 87.9 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.4 | -73.6 | 169.5 | 0 | 0 | 0 | 112.1 | V267 V274 T317 L331 I424 R426 S431 Q432 | V267-L428 HydrophobicContact CG2-CD2 4.44Å; V274-L428 HydrophobicContact CG2-CD1 4.46Å; V274-L428 HydrophobicContact CG2-CD2 4.2Å; T317-L428 HydrophobicContact CG2-CD2 3.57Å; L331-L428 HydrophobicContact CD1-CD1 3.76Å; I424-L428 HydrophobicContact CG2-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CG 4.32Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.35Å; R426-L428 PolarHBondContact O-N 2.97Å; L428-S431 PolarHBondContact O-N 2.87Å; L428-Q432 VanDerWaalsContact O-CB 3.3Å; L428-Q432 WeakPolarHBondContact O-CB 3.17Å; L428-Q432 PolarHBondContact O-N 3.43Å |
| 429 | T | 91.8 | Very high | 87 | Confident | 92 Ų | 92 | 67 Ų | 67 | 56% | 0.564 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 178 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | S425 R426 T433 | S425-T429 WeakPolarHBondContact O-CB 3.43Å; S425-T429 PolarHBondContact O-N 3.39Å; S425-T429 PolarHBondContact O-OG1 3.02Å; R426-T429 PolarHBondContact O-N 3.22Å; T429-T433 WeakPolarHBondContact O-CB 3.25Å; T429-T433 PolarHBondContact O-N 2.73Å; T429-T433 PolarHBondContact O-OG1 3.31Å |
| 430 | E | 88.8 | Confident | 86.1 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 174.9 | -72.6 | 177 | -150.9 | 0 | 0 | 111.4 | R426 F427 Q432 T433 K434 | R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 3Å; F427-E430 PolarHBondContact O-N 3.36Å; E430-Q432 PolarHBondContact O-N 2.63Å; E430-T433 WeakPolarHBondContact O-CB 3.22Å; E430-T433 PolarHBondContact O-N 3.15Å; E430-T433 VanDerWaalsContact O-N 3.14Å; E430-K434 WeakPolarHBondContact O-CG 3.35Å; E430-K434 PolarHBondContact O-N 3.06Å |
| 431 | S | 84.1 | Confident | 85.1 | Confident | 5 Ų | 5 | 78 Ų | 78 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 179.8 | -168 | 0 | 0 | 0 | 0 | 113 | D308 F427 L428 T433 K434 Y435 | D308-S431 VanDerWaalsContact CB-OG 3.23Å; D308-S431 WeakPolarHBondContact CB-OG 3.48Å; D308-S431 WeakPolarHBondContact OD2-CA 3.46Å; D308-S431 WeakPolarHBondContact OD2-CB 3.3Å; D308-S431 PolarHBondContact OD2-OG 3.29Å; F427-S431 VanDerWaalsContact O-CB 3.29Å; F427-S431 WeakPolarHBondContact O-CB 3.28Å; F427-S431 PolarHBondContact O-N 2.83Å; L428-S431 PolarHBondContact O-N 2.87Å; S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 2.75Å; S431-K434 PolarHBondContact O-N 3.08Å; S431-Y435 WeakPolarHBondContact O-CB 3Å; S431-Y435 PolarHBondContact O-N 2.88Å |
| 432 | Q | 83.4 | Confident | 83.7 | Confident | 119 Ų | 119 | 82.8 Ų | 82.8 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.6 | -33 | 175.9 | -175.6 | 159.7 | -25.2 | 0 | 0 | 112.2 | L428 E430 T436 | L428-Q432 VanDerWaalsContact O-CB 3.3Å; L428-Q432 WeakPolarHBondContact O-CB 3.17Å; L428-Q432 PolarHBondContact O-N 3.43Å; E430-Q432 PolarHBondContact O-N 2.63Å; Q432-T436 WeakPolarHBondContact O-CB 3.31Å; Q432-T436 PolarHBondContact O-N 3.39Å; Q432-T436 PolarHBondContact O-OG1 3.08Å |
| 433 | T | 82.4 | Confident | 82.4 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.1 | -44.8 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | T429 E430 S431 T436 K437 | T429-T433 WeakPolarHBondContact O-CB 3.25Å; T429-T433 PolarHBondContact O-N 2.73Å; T429-T433 PolarHBondContact O-OG1 3.31Å; E430-T433 WeakPolarHBondContact O-CB 3.22Å; E430-T433 PolarHBondContact O-N 3.15Å; E430-T433 VanDerWaalsContact O-N 3.14Å; S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 2.75Å; T433-T436 PolarHBondContact O-N 2.91Å; T433-K437 HydrophobicContact CG2-CD 4.08Å; T433-K437 WeakPolarHBondContact O-CG 3.12Å; T433-K437 PolarHBondContact O-N 2.99Å |
| 434 | K | 80.6 | Confident | 81 | Confident | 99 Ų | 99 | 90.3 Ų | 90.3 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.5 | -56.4 | 173.3 | -66.3 | 168.6 | -161.7 | 165.5 | 0 | 110.3 | D308 E430 S431 T436 K437 E438 | D308-K434 VanDerWaalsContact CG-NZ 3.29Å; D308-K434 IonicContact OD1-NZ 2.7Å; D308-K434 PolarHBondContact OD1-NZ 2.7Å; D308-K434 VanDerWaalsContact OD1-NZ 3.07Å; D308-K434 IonicContact OD2-NZ 3.1Å; D308-K434 PolarHBondContact OD2-NZ 3.48Å; E430-K434 WeakPolarHBondContact O-CG 3.35Å; E430-K434 PolarHBondContact O-N 3.06Å; S431-K434 PolarHBondContact O-N 3.08Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.15Å; K434-K437 PolarHBondContact O-N 3.12Å; K434-E438 PolarHBondContact O-N 3Å |
| 435 | Y | 76 | Confident | 79.2 | Confident | 125 Ų | 125 | 97.5 Ų | 97.5 | 49% | 0.49 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | -176.7 | -175.8 | -97.2 | 0 | 0 | 0 | 113 | S431 K439 | S431-Y435 WeakPolarHBondContact O-CB 3Å; S431-Y435 PolarHBondContact O-N 2.88Å; Y435-K439 WeakPolarHBondContact O-CB 3.38Å; Y435-K439 PolarHBondContact O-N 3.37Å |
| 436 | T | 78.1 | Confident | 77.3 | Confident | 73 Ų | 73 | 106 Ų | 106 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -46.9 | 177 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | Q432 T433 K434 E438 K439 T440 | Q432-T436 WeakPolarHBondContact O-CB 3.31Å; Q432-T436 PolarHBondContact O-N 3.39Å; Q432-T436 PolarHBondContact O-OG1 3.08Å; T433-T436 PolarHBondContact O-N 2.91Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.15Å; T436-E438 VanDerWaalsContact C-N 3.31Å; T436-E438 PolarHBondContact O-N 2.94Å; T436-K439 PolarHBondContact O-N 2.96Å; T436-T440 PolarHBondContact O-N 3Å; T436-T440 PolarHBondContact O-OG1 3.32Å; T436-T440 VanDerWaalsContact O-OG1 3.1Å |
| 437 | K | 78.8 | Confident | 75.6 | Confident | 141 Ų | 141 | 107.6 Ų | 107.6 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.3 | -39.8 | 177.2 | -73.2 | 173.4 | 178.4 | 176.8 | 0 | 112.1 | T433 K434 R441 | T433-K437 HydrophobicContact CG2-CD 4.08Å; T433-K437 WeakPolarHBondContact O-CG 3.12Å; T433-K437 PolarHBondContact O-N 2.99Å; K434-K437 PolarHBondContact O-N 3.12Å; K437-R441 WeakPolarHBondContact O-CG 3.48Å; K437-R441 PolarHBondContact O-N 3.3Å |
| 438 | E | 76.4 | Confident | 73.6 | Confident | 119 Ų | 119 | 114.1 Ų | 114.1 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -46.4 | 176.3 | -175 | 165.1 | -141.3 | 0 | 0 | 112.2 | K434 T436 T440 R441 L442 | K434-E438 PolarHBondContact O-N 3Å; T436-E438 VanDerWaalsContact C-N 3.31Å; T436-E438 PolarHBondContact O-N 2.94Å; E438-T440 PolarHBondContact O-N 3.46Å; E438-R441 WeakPolarHBondContact O-CB 3.37Å; E438-R441 PolarHBondContact O-N 3.45Å; E438-L442 HydrophobicContact CG-CD1 4.15Å; E438-L442 WeakPolarHBondContact O-CG 3.4Å; E438-L442 PolarHBondContact O-N 2.86Å |
| 439 | K | 73.3 | Confident | 71.4 | Confident | 114 Ų | 114 | 121 Ų | 121 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 174.7 | -173.3 | 178.4 | 176.7 | -177.6 | 0 | 112.1 | Y435 T436 L442 Q443 | Y435-K439 WeakPolarHBondContact O-CB 3.38Å; Y435-K439 PolarHBondContact O-N 3.37Å; T436-K439 PolarHBondContact O-N 2.96Å; K439-L442 PolarHBondContact O-N 3.2Å; K439-Q443 WeakPolarHBondContact O-CG 3.3Å; K439-Q443 PolarHBondContact O-N 3.26Å |
| 440 | T | 73.1 | Confident | 69.5 | Low | 61 Ų | 61 | 121.6 Ų | 121.6 | 37% | 0.374 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 176 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | T436 E438 Q443 R444 | T436-T440 PolarHBondContact O-N 3Å; T436-T440 PolarHBondContact O-OG1 3.32Å; T436-T440 VanDerWaalsContact O-OG1 3.1Å; E438-T440 PolarHBondContact O-N 3.46Å; T440-Q443 PolarHBondContact O-N 3.49Å; T440-R444 PolarHBondContact O-N 3.26Å |
| 441 | R | 73.2 | Confident | 67.4 | Low | 190 Ų | 190 | 125.6 Ų | 125.6 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.6 | -45.3 | 172.3 | -82.7 | 178.7 | 162.3 | -178.1 | -6.2 | 111.8 | K437 E438 Q443 R444 R445 | K437-R441 WeakPolarHBondContact O-CG 3.48Å; K437-R441 PolarHBondContact O-N 3.3Å; E438-R441 WeakPolarHBondContact O-CB 3.37Å; E438-R441 PolarHBondContact O-N 3.45Å; R441-Q443 VanDerWaalsContact C-N 3.31Å; R441-Q443 PolarHBondContact O-N 3.14Å; R441-R444 PolarHBondContact O-N 3.24Å; R441-R445 WeakPolarHBondContact O-CB 3.4Å; R441-R445 WeakPolarHBondContact O-CD 3.47Å; R441-R445 VanDerWaalsContact O-CG 3.27Å; R441-R445 WeakPolarHBondContact O-CG 3.35Å; R441-R445 PolarHBondContact O-N 2.82Å; R441-R445 VanDerWaalsContact O-N 3.1Å |
| 442 | L | 66 | Low | 65.2 | Low | 99 Ų | 99 | 130.3 Ų | 130.3 | 52% | 0.518 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.2 | -28.8 | 177.7 | -72.8 | 166.3 | 0 | 0 | 0 | 113.3 | E438 K439 | E438-L442 HydrophobicContact CG-CD1 4.15Å; E438-L442 WeakPolarHBondContact O-CG 3.4Å; E438-L442 PolarHBondContact O-N 2.86Å; K439-L442 PolarHBondContact O-N 3.2Å |
| 443 | Q | 65.6 | Low | 63.6 | Low | 114 Ų | 114 | 130.3 Ų | 130.3 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.1 | -42.3 | 174.6 | -73.1 | -176.5 | -90 | 0 | 0 | 112.7 | K439 T440 R441 R445 R446 | K439-Q443 WeakPolarHBondContact O-CG 3.3Å; K439-Q443 PolarHBondContact O-N 3.26Å; T440-Q443 PolarHBondContact O-N 3.49Å; R441-Q443 VanDerWaalsContact C-N 3.31Å; R441-Q443 PolarHBondContact O-N 3.14Å; Q443-R445 VanDerWaalsContact C-N 3.34Å; Q443-R445 PolarHBondContact O-N 2.87Å; Q443-R446 PolarHBondContact O-N 2.75Å; Q443-R446 VanDerWaalsContact O-N 3.08Å |
| 444 | R | 61.8 | Low | 61.7 | Low | 168 Ų | 168 | 133.5 Ų | 133.5 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.3 | -43.8 | 175 | -72 | -175.3 | -179.5 | -179.7 | -1.5 | 111.7 | T440 R441 R446 M447 E448 | T440-R444 PolarHBondContact O-N 3.26Å; R441-R444 PolarHBondContact O-N 3.24Å; R444-R446 PolarHBondContact O-N 3.47Å; R444-M447 PolarHBondContact O-N 3.48Å; R444-E448 PolarHBondContact O-N 3.4Å |
| 445 | R | 56 | Low | 60.1 | Low | 151 Ų | 151 | 132.7 Ų | 132.7 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -1.2 | 172.3 | -75 | 172 | 159.2 | -129.5 | -10 | 116.2 | R441 Q443 E455 | R441-R445 WeakPolarHBondContact O-CB 3.4Å; R441-R445 WeakPolarHBondContact O-CD 3.47Å; R441-R445 VanDerWaalsContact O-CG 3.27Å; R441-R445 WeakPolarHBondContact O-CG 3.35Å; R441-R445 PolarHBondContact O-N 2.82Å; R441-R445 VanDerWaalsContact O-N 3.1Å; Q443-R445 VanDerWaalsContact C-N 3.34Å; Q443-R445 PolarHBondContact O-N 2.87Å; R445-E455 IonicContact CZ-OE1 2.67Å; R445-E455 IonicContact NH1-OE1 2.68Å; R445-E455 PolarHBondContact NH1-OE1 3.11Å; R445-E455 IonicContact NH2-OE1 2.74Å; R445-E455 PolarHBondContact NH2-OE1 3.43Å |
| 446 | R | 56.1 | Low | 58.8 | Low | 220 Ų | 220 | 132.9 Ų | 132.9 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -0.8 | 171.8 | -69.8 | -175.5 | -175.4 | -169 | 1.3 | 113.7 | Q443 R444 | Q443-R446 PolarHBondContact O-N 2.75Å; Q443-R446 VanDerWaalsContact O-N 3.08Å; R444-R446 PolarHBondContact O-N 3.47Å |
| 447 | M | 56.9 | Low | 57.5 | Low | 170 Ų | 170 | 133.9 Ų | 133.9 | 84% | 0.837 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -10.9 | 178.5 | -64.4 | -173.6 | 69.1 | 0 | 0 | 112.9 | R444 | R444-M447 PolarHBondContact O-N 3.48Š|
| 448 | E | 49.5 | Very low | 56.4 | Low | 143 Ų | 143 | 136.4 Ų | 136.4 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | trans | -125.2 | 102.4 | -178 | -66.9 | 170.7 | 154.7 | 0 | 0 | 110.6 | R444 | R444-E448 PolarHBondContact O-N 3.4Š| ||
| 449 | E | 48.1 | Very low | 56.5 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 67% | 0.666 | S | S | * | * | trans | -158.8 | 154.7 | 153.3 | -98.2 | -139.5 | 130.5 | 0 | 0 | 108.1 | ||||
| 450 | P | 52.1 | Low | 56.8 | Low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | S | Bend | cis | -118.8 | 179.6 | 22.7 | 43 | -33.6 | 0 | 0 | 0 | 115.9 | ||
| 451 | Q | 43.8 | Very low | 57.5 | Low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 74.1 | 79.9 | 162.1 | -65.3 | 178.5 | -26.9 | 0 | 0 | 118.8 | ||
| 452 | S | 38.5 | Very low | 57.8 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | -171.5 | 99.5 | 126.5 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | T454 | S452-T454 PolarHBondContact O-N 2.7Š| |||
| 453 | D | 48.4 | Very low | 58.3 | Low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | trans | -83 | 79.3 | -169 | -155.5 | -9.9 | 0 | 0 | 0 | 113.4 | K457 | D453-K457 IonicContact OD1-NZ 3.98Å; D453-K457 PolarHBondContact OD1-NZ 3.05Å; D453-K457 IonicContact OD2-NZ 3.43Å; D453-K457 PolarHBondContact OD2-NZ 3.14Å | ||
| 454 | T | 43.4 | Very low | 58.1 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 62% | 0.621 | S | S | * | * | trans | -120.9 | 37 | 161.9 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | S452 T456 | S452-T454 PolarHBondContact O-N 2.7Å; T454-T456 PolarHBondContact O-N 2.65Å | ||
| 455 | E | 47.8 | Very low | 58.6 | Low | 83 Ų | 83 | 129 Ų | 129 | 39% | 0.388 | 62% | 0.618 | S | S | . | * | trans | -64.4 | 127 | 162.5 | -179.5 | 179 | -143.5 | 0 | 0 | 109.5 | R445 K457 | R445-E455 IonicContact CZ-OE1 2.67Å; R445-E455 IonicContact NH1-OE1 2.68Å; R445-E455 PolarHBondContact NH1-OE1 3.11Å; R445-E455 IonicContact NH2-OE1 2.74Å; R445-E455 PolarHBondContact NH2-OE1 3.43Å; E455-K457 HydrophobicContact CB-CG 4.18Å; E455-K457 HydrophobicContact CG-CG 3.92Å; E455-K457 PolarHBondContact O-N 3.24Å; E455-K457 VanDerWaalsContact OE2-CE 3.25Å; E455-K457 WeakPolarHBondContact OE2-CE 3.31Å; E455-K457 VanDerWaalsContact OE2-CG 3.25Å; E455-K457 WeakPolarHBondContact OE2-CG 3.35Å | ||
| 456 | T | 48.2 | Very low | 59.2 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -71 | 75.3 | 164.3 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | T454 K458 | T454-T456 PolarHBondContact O-N 2.65Å; T456-K458 PolarHBondContact O-N 2.88Å | ||
| 457 | K | 50.3 | Low | 60.3 | Low | 94 Ų | 94 | 118.5 Ų | 118.5 | 41% | 0.409 | 59% | 0.593 | S | S | . | * | trans | -57.2 | 103.3 | 176.4 | -80.3 | 163.7 | 173.6 | 151.8 | 0 | 108.7 | D453 E455 Y459 | D453-K457 IonicContact OD1-NZ 3.98Å; D453-K457 PolarHBondContact OD1-NZ 3.05Å; D453-K457 IonicContact OD2-NZ 3.43Å; D453-K457 PolarHBondContact OD2-NZ 3.14Å; E455-K457 HydrophobicContact CB-CG 4.18Å; E455-K457 HydrophobicContact CG-CG 3.92Å; E455-K457 PolarHBondContact O-N 3.24Å; E455-K457 VanDerWaalsContact OE2-CE 3.25Å; E455-K457 WeakPolarHBondContact OE2-CE 3.31Å; E455-K457 VanDerWaalsContact OE2-CG 3.25Å; E455-K457 WeakPolarHBondContact OE2-CG 3.35Å; K457-Y459 WeakPolarHBondContact O-CD2 3.33Å; K457-Y459 PolarHBondContact O-N 2.91Å | ||
| 458 | K | 56.1 | Low | 61.3 | Low | 194 Ų | 194 | 111.1 Ų | 111.1 | 84% | 0.843 | 56% | 0.557 | S | S | * | * | trans | -72.2 | 96.2 | 176.8 | -72.4 | -170.5 | 176.2 | -173.4 | 0 | 108.7 | T456 F460 | T456-K458 PolarHBondContact O-N 2.88Å; K458-F460 PolarHBondContact O-N 2.91Å | ||
| 459 | Y | 77.8 | Confident | 62.7 | Low | 222 Ų | 222 | 107.7 Ų | 107.7 | 87% | 0.871 | 55% | 0.546 | S | S | * | . | trans | -52.3 | 121.6 | 173.5 | -60.6 | -76.9 | 0 | 0 | 0 | 110.1 | K457 | K457-Y459 WeakPolarHBondContact O-CD2 3.33Å; K457-Y459 PolarHBondContact O-N 2.91Å | ||
| 460 | F | 80.1 | Confident | 64.1 | Low | 132 Ų | 132 | 108 Ų | 108 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | trans | -116.3 | 104.8 | -174.1 | 174.4 | -98.5 | 0 | 0 | 0 | 109.3 | K458 I496 P500 | K458-F460 PolarHBondContact O-N 2.91Å; F460-I496 HydrophobicContact CE2-CD1 4.4Å; F460-I496 HydrophobicContact CZ-CD1 3.79Å; F460-P500 WeakPolarHBondContact O-CD 3.44Å | ||
| 461 | L | 86.8 | Confident | 65.4 | Low | 95 Ų | 95 | 108.2 Ų | 108.2 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | trans | -80.3 | -19.6 | 178.2 | -175.7 | 56.1 | 0 | 0 | 0 | 112.7 | I463 S499 P500 A501 | L461-I463 HydrophobicContact CB-CG1 4.4Å; L461-I463 HydrophobicContact CD2-CD1 3.72Å; L461-I463 HydrophobicContact CD2-CG1 4.07Å; L461-I463 HydrophobicContact CG-CD1 4.32Å; L461-I463 HydrophobicContact CG-CG1 4.15Å; L461-S499 PolarHBondContact O-OG 3.21Å; L461-P500 HydrophobicContact CD1-CB 4.25Å; L461-A501 HydrophobicContact CD1-CB 4.01Å; L461-A501 HydrophobicContact CG-CB 4.13Å; L461-A501 WeakPolarHBondContact O-CB 3.31Å; L461-A501 PolarHBondContact O-N 2.96Å | ||
| 462 | G | 81.2 | Confident | 66.6 | Low | 3 Ų | 3 | 100.5 Ų | 100.5 | 3% | 0.031 | 51% | 0.509 | C | S | . | . | trans | 79.7 | 12.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | I496 S499 | G462-I496 VanDerWaalsContact O-CB 3.28Å; G462-I496 WeakPolarHBondContact O-CB 3.15Å; G462-I496 VanDerWaalsContact O-CG1 3.26Å; G462-I496 WeakPolarHBondContact O-CG1 3.44Å; G462-I496 PolarHBondContact O-N 3.34Å; G462-S499 WeakPolarHBondContact CA-OG 3.14Å | ||
| 463 | I | 75.6 | Confident | 68.6 | Low | 41 Ų | 41 | 96.3 Ų | 96.3 | 21% | 0.21 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 141.2 | 172.6 | 55.2 | 173.5 | 0 | 0 | 0 | 112.6 | L461 M465 V492 Q494 V495 A501 | L461-I463 HydrophobicContact CB-CG1 4.4Å; L461-I463 HydrophobicContact CD2-CD1 3.72Å; L461-I463 HydrophobicContact CD2-CG1 4.07Å; L461-I463 HydrophobicContact CG-CD1 4.32Å; L461-I463 HydrophobicContact CG-CG1 4.15Å; I463-M465 HydrophobicContact CD1-CG 3.66Å; I463-M465 HydrophobicContact CD1-SD 3.67Å; I463-M465 HydrophobicContact CG1-CG 3.89Å; I463-M465 HydrophobicContact CG1-SD 4.19Å; I463-V492 HydrophobicContact CB-CG1 4.04Å; I463-V492 HydrophobicContact CD1-CG2 4.24Å; I463-V492 HydrophobicContact CG2-CG1 3.75Å; I463-V492 HydrophobicContact CG2-CG2 4.42Å; I463-Q494 WeakPolarHBondContact CA-O 3.28Å; I463-V495 HydrophobicContact CG2-CG2 4.45Å; I463-A501 HydrophobicContact CG2-CB 3.54Å |
| 464 | R | 62.1 | Low | 70 | Confident | 97 Ų | 97 | 93.6 Ų | 93.6 | 37% | 0.366 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.4 | 163.8 | -177.8 | 172.4 | 163.6 | 159.1 | -4.6 | 108.7 | Q493 Q494 | R464-Q493 HydrophobicContact CG-CB 4.44Å; R464-Q493 VanDerWaalsContact CZ-OE1 3.29Å; R464-Q493 PolarHBondContact O-N 3.02Å; R464-Q494 HydrophobicContact CB-CB 3.83Å; R464-Q494 PolarHBondContact N-O 2.8Å |
| 465 | M | 72.5 | Confident | 71.6 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 59% | 0.586 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.3 | -173.8 | -70.2 | -176.3 | -69.6 | 0 | 0 | 112 | I463 V490 L491 | I463-M465 HydrophobicContact CD1-CG 3.66Å; I463-M465 HydrophobicContact CD1-SD 3.67Å; I463-M465 HydrophobicContact CG1-CG 3.89Å; I463-M465 HydrophobicContact CG1-SD 4.19Å; M465-V490 HydrophobicContact CB-CG1 3.5Å; M465-V490 HydrophobicContact CG-CG1 3.59Å; M465-V490 HydrophobicContact SD-CG1 3.94Å; M465-L491 WeakPolarHBondContact CA-O 3.46Å |
| 466 | I | 68.3 | Low | 73 | Confident | 49 Ų | 49 | 88.5 Ų | 88.5 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.2 | 164.5 | -62.4 | 174 | 0 | 0 | 0 | 108.2 | T285 I468 L472 V490 L491 Q493 | T285-I466 HydrophobicContact CG2-CD1 3.78Å; I466-I468 PolarHBondContact O-N 3.46Å; I466-L472 HydrophobicContact CG2-CD2 3.46Å; I466-L472 VanDerWaalsContact CG2-CD2 3.46Å; I466-V490 CarbonylContact O-C 3.54Å; I466-V490 WeakPolarHBondContact O-CA 3.33Å; I466-L491 PolarHBondContact N-O 3.34Å; I466-L491 PolarHBondContact O-N 3.07Å; I466-Q493 HydrophobicContact CD1-CB 4.16Å; I466-Q493 HydrophobicContact CD1-CG 4.33Å; I466-Q493 VanDerWaalsContact CD1-OE1 3.29Å; I466-Q493 HydrophobicContact CG1-CB 4.48Å |
| 467 | T | 78.2 | Confident | 74.5 | Confident | 102 Ų | 102 | 85.9 Ų | 85.9 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.2 | 175.5 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | T469 | T467-T469 PolarHBondContact O-N 3.16Å |
| 468 | I | 77.7 | Confident | 75.8 | Confident | 15 Ų | 15 | 88.8 Ų | 88.8 | 8% | 0.077 | 44% | 0.437 | C | S | . | . | trans | -64.2 | 131.6 | 174.2 | -68.2 | -65.3 | 0 | 0 | 0 | 109.6 | I466 T473 F483 V486 G489 L491 | I466-I468 PolarHBondContact O-N 3.46Å; I468-T473 WeakPolarHBondContact CG2-OG1 3.33Å; I468-F483 HydrophobicContact CD1-CZ 4.36Å; I468-V486 HydrophobicContact CD1-CG2 3.96Å; I468-V486 HydrophobicContact CG1-CG2 4.12Å; I468-V486 HydrophobicContact CG2-CG2 3.98Å; I468-G489 WeakPolarHBondContact CB-O 3.26Å; I468-G489 PolarHBondContact N-O 2.94Å; I468-L491 HydrophobicContact CD1-CB 4.04Å | ||
| 469 | T | 79.1 | Confident | 76.6 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 44% | 0.436 | 42% | 0.423 | S | S | . | . | trans | -133.6 | 155.5 | 171.9 | 68.6 | 0 | 0 | 0 | 0 | 108.9 | T467 V471 L472 T473 | T467-T469 PolarHBondContact O-N 3.16Å; T469-V471 PolarHBondContact O-N 2.91Å; T469-V471 VanDerWaalsContact O-N 3.16Å; T469-L472 PolarHBondContact O-N 3.46Å; T469-L472 WeakPolarHBondContact OG1-CB 3Å; T469-L472 PolarHBondContact OG1-N 2.03Å; T469-T473 PolarHBondContact O-N 3.22Å; T469-T473 PolarHBondContact O-OG1 3.45Å | ||
| 470 | K | 78.4 | Confident | 76.7 | Confident | 185 Ų | 185 | 78.4 Ų | 78.4 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.4 | -34.5 | -178.1 | -65.5 | -173.3 | 176.9 | -175 | 0 | 113.5 | A474 | K470-A474 WeakPolarHBondContact O-CB 3.17Å; K470-A474 PolarHBondContact O-N 3.1Å |
| 471 | V | 78.9 | Confident | 77 | Confident | 110 Ų | 110 | 77.5 Ų | 77.5 | 67% | 0.667 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.5 | -47.5 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | T469 A474 E475 | T469-V471 PolarHBondContact O-N 2.91Å; T469-V471 VanDerWaalsContact O-N 3.16Å; V471-A474 PolarHBondContact O-N 3.26Å; V471-E475 PolarHBondContact O-N 3.42Å |
| 472 | L | 69.9 | Low | 77.1 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 180 | -175.8 | 64 | 0 | 0 | 0 | 112.7 | T285 I466 T469 A474 E475 L476 | T285-L472 HydrophobicContact CG2-CD1 3.83Å; I466-L472 HydrophobicContact CG2-CD2 3.46Å; I466-L472 VanDerWaalsContact CG2-CD2 3.46Å; T469-L472 PolarHBondContact O-N 3.46Å; T469-L472 WeakPolarHBondContact OG1-CB 3Å; T469-L472 PolarHBondContact OG1-N 2.03Å; L472-A474 VanDerWaalsContact C-N 3.28Å; L472-A474 PolarHBondContact O-N 3Å; L472-E475 PolarHBondContact O-N 3.47Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.25Å; L472-L476 HydrophobicContact CD2-CD1 4.45Å; L472-L476 HydrophobicContact CG-CD1 3.81Å; L472-L476 HydrophobicContact CG-CG 4.36Å; L472-L476 WeakPolarHBondContact O-CB 3.3Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.45Å; L472-L476 PolarHBondContact O-N 2.78Å |
| 473 | T | 79.1 | Confident | 77.1 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 9% | 0.092 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 175.2 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | I468 T469 K477 F483 V486 | I468-T473 WeakPolarHBondContact CG2-OG1 3.33Å; T469-T473 PolarHBondContact O-N 3.22Å; T469-T473 PolarHBondContact O-OG1 3.45Å; T473-K477 WeakPolarHBondContact O-CB 3.1Å; T473-K477 PolarHBondContact O-N 3.04Å; T473-F483 HydrophobicContact CG2-CE1 4.33Å; T473-V486 HydrophobicContact CG2-CG2 4.41Å; T473-V486 PolarHBondContact OG1-O 3.41Å |
| 474 | A | 79.1 | Confident | 77.6 | Confident | 62 Ų | 62 | 83.3 Ų | 83.3 | 51% | 0.512 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K470 V471 L472 L478 | K470-A474 WeakPolarHBondContact O-CB 3.17Å; K470-A474 PolarHBondContact O-N 3.1Å; V471-A474 PolarHBondContact O-N 3.26Å; L472-A474 VanDerWaalsContact C-N 3.28Å; L472-A474 PolarHBondContact O-N 3Å; A474-L478 WeakPolarHBondContact O-CB 3.49Å; A474-L478 PolarHBondContact O-N 2.89Å |
| 475 | E | 77.6 | Confident | 78.7 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 175.2 | -171.8 | 177 | 174.5 | 0 | 0 | 111.8 | V471 L472 L478 Q479 | V471-E475 PolarHBondContact O-N 3.42Å; L472-E475 PolarHBondContact O-N 3.47Å; E475-L478 PolarHBondContact O-N 2.85Å; E475-Q479 PolarHBondContact O-N 2.98Å |
| 476 | L | 76.6 | Confident | 79.4 | Confident | 16 Ų | 16 | 83.3 Ų | 83.3 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 176.5 | -72.8 | 166.8 | 0 | 0 | 0 | 111.9 | T285 L472 L478 Q479 D480 F483 L491 | T285-L476 HydrophobicContact CG2-CD2 4.23Å; T285-L476 WeakPolarHBondContact OG1-CD2 3.34Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.25Å; L472-L476 HydrophobicContact CD2-CD1 4.45Å; L472-L476 HydrophobicContact CG-CD1 3.81Å; L472-L476 HydrophobicContact CG-CG 4.36Å; L472-L476 WeakPolarHBondContact O-CB 3.3Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.45Å; L472-L476 PolarHBondContact O-N 2.78Å; L476-L478 PolarHBondContact O-N 3.09Å; L476-L478 VanDerWaalsContact O-N 3.16Å; L476-Q479 PolarHBondContact O-N 3.34Å; L476-D480 PolarHBondContact O-N 3.34Å; L476-F483 HydrophobicContact CB-CD1 3.92Å; L476-F483 HydrophobicContact CB-CD2 4.21Å; L476-F483 HydrophobicContact CB-CE1 4.13Å; L476-F483 HydrophobicContact CB-CE2 4.41Å; L476-F483 HydrophobicContact CB-CG 3.98Å; L476-F483 HydrophobicContact CB-CZ 4.38Å; L476-F483 HydrophobicContact CD1-CE1 3.97Å; L476-F483 HydrophobicContact CD1-CE2 3.97Å; L476-F483 HydrophobicContact CD1-CZ 3.63Å; L476-L491 HydrophobicContact CD1-CD2 3.89Å; L476-L491 HydrophobicContact CD2-CD2 4.44Å |
| 477 | K | 79.9 | Confident | 79.9 | Confident | 73 Ų | 73 | 86.2 Ų | 86.2 | 32% | 0.317 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -23.5 | 173.9 | -84.8 | -166.6 | 166.8 | -160 | 0 | 114.1 | T473 D480 F483 E485 | T473-K477 WeakPolarHBondContact O-CB 3.1Å; T473-K477 PolarHBondContact O-N 3.04Å; K477-D480 WeakPolarHBondContact CA-O 3.33Å; K477-F483 VanDerWaalsContact CE-O 3.32Å; K477-F483 WeakPolarHBondContact CE-O 3.39Å; K477-F483 HydrophobicContact CG-CB 4.28Å; K477-F483 HydrophobicContact CG-CD1 4.4Å; K477-E485 VanDerWaalsContact NZ-CD 3.35Å; K477-E485 IonicContact NZ-OE2 3.07Å; K477-E485 PolarHBondContact NZ-OE2 2.78Å |
| 478 | L | 77.8 | Confident | 80.2 | Confident | 154 Ų | 154 | 85.4 Ų | 85.4 | 81% | 0.806 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -84.4 | -20.6 | 177.2 | -168.4 | 143.2 | 0 | 0 | 0 | 112.5 | A474 E475 L476 | A474-L478 WeakPolarHBondContact O-CB 3.49Å; A474-L478 PolarHBondContact O-N 2.89Å; E475-L478 PolarHBondContact O-N 2.85Å; L476-L478 PolarHBondContact O-N 3.09Å; L476-L478 VanDerWaalsContact O-N 3.16Å |
| 479 | Q | 73 | Confident | 80.6 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -93 | -33.5 | 172.6 | -66.6 | 178.8 | 15.4 | 0 | 0 | 112.6 | E475 L476 | E475-Q479 PolarHBondContact O-N 2.98Å; L476-Q479 PolarHBondContact O-N 3.34Å |
| 480 | D | 78.8 | Confident | 80.6 | Confident | 80 Ų | 80 | 87 Ų | 87 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | trans | -137.3 | 101.1 | -177.6 | -177.5 | -2.6 | 0 | 0 | 0 | 109.6 | L476 K477 D482 F483 | L476-D480 PolarHBondContact O-N 3.34Å; K477-D480 WeakPolarHBondContact CA-O 3.33Å; D480-D482 PolarHBondContact O-N 2.92Å; D480-D482 PolarHBondContact OD1-N 2.86Å; D480-F483 HydrophobicContact CB-CB 4.35Å; D480-F483 VanDerWaalsContact O-CB 3.23Å; D480-F483 WeakPolarHBondContact O-CB 3.41Å; D480-F483 PolarHBondContact O-N 3.09Å; D480-F483 VanDerWaalsContact O-N 3.09Å | ||
| 481 | P | 86.5 | Confident | 80.6 | Confident | 112 Ų | 112 | 80 Ų | 80 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.2 | -177.5 | -25.6 | 35.8 | 0 | 0 | 0 | 114.8 | F483 | P481-F483 VanDerWaalsContact C-N 3.26Å; P481-F483 PolarHBondContact O-N 3.31Å |
| 482 | D | 88.6 | Confident | 80.7 | Confident | 153 Ų | 153 | 78.1 Ų | 78.1 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -1.2 | 179.7 | -67.9 | -29.7 | 0 | 0 | 0 | 112.1 | D480 | D480-D482 PolarHBondContact O-N 2.92Å; D480-D482 PolarHBondContact OD1-N 2.86Å |
| 483 | F | 82.5 | Confident | 80.5 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 13% | 0.127 | 45% | 0.451 | C | S | . | . | trans | -63 | 125.2 | 179.5 | -170.1 | -90.6 | 0 | 0 | 0 | 111.8 | I468 T473 L476 K477 D480 P481 V486 L491 | I468-F483 HydrophobicContact CD1-CZ 4.36Å; T473-F483 HydrophobicContact CG2-CE1 4.33Å; L476-F483 HydrophobicContact CB-CD1 3.92Å; L476-F483 HydrophobicContact CB-CD2 4.21Å; L476-F483 HydrophobicContact CB-CE1 4.13Å; L476-F483 HydrophobicContact CB-CE2 4.41Å; L476-F483 HydrophobicContact CB-CG 3.98Å; L476-F483 HydrophobicContact CB-CZ 4.38Å; L476-F483 HydrophobicContact CD1-CE1 3.97Å; L476-F483 HydrophobicContact CD1-CE2 3.97Å; L476-F483 HydrophobicContact CD1-CZ 3.63Å; K477-F483 VanDerWaalsContact CE-O 3.32Å; K477-F483 WeakPolarHBondContact CE-O 3.39Å; K477-F483 HydrophobicContact CG-CB 4.28Å; K477-F483 HydrophobicContact CG-CD1 4.4Å; D480-F483 HydrophobicContact CB-CB 4.35Å; D480-F483 VanDerWaalsContact O-CB 3.23Å; D480-F483 WeakPolarHBondContact O-CB 3.41Å; D480-F483 PolarHBondContact O-N 3.09Å; D480-F483 VanDerWaalsContact O-N 3.09Å; P481-F483 VanDerWaalsContact C-N 3.26Å; P481-F483 PolarHBondContact O-N 3.31Å; F483-V486 HydrophobicContact CE1-CG2 3.98Å; F483-V486 HydrophobicContact CZ-CG2 4.45Å; F483-L491 HydrophobicContact CE2-CD1 3.96Å; F483-L491 HydrophobicContact CZ-CD1 4.22Å | ||
| 484 | P | 85.4 | Confident | 79.7 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | trans | -65.9 | 146.8 | -169.9 | 25.9 | -35.4 | 0 | 0 | 0 | 113.1 | V486 | P484-V486 VanDerWaalsContact C-N 3.35Å; P484-V486 PolarHBondContact O-N 3.28Å | ||
| 485 | E | 85.6 | Confident | 79.3 | Confident | 165 Ų | 165 | 78.9 Ų | 78.9 | 77% | 0.771 | 45% | 0.446 | S | S | * | . | trans | -77 | 82.5 | 179.8 | -170.9 | 136.3 | -164.2 | 0 | 0 | 112.2 | K477 | K477-E485 VanDerWaalsContact NZ-CD 3.35Å; K477-E485 IonicContact NZ-OE2 3.07Å; K477-E485 PolarHBondContact NZ-OE2 2.78Å | ||
| 486 | V | 85.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 77.7 Ų | 77.7 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | trans | -98.4 | 123.1 | 179.2 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | I468 T473 F483 P484 | I468-V486 HydrophobicContact CD1-CG2 3.96Å; I468-V486 HydrophobicContact CG1-CG2 4.12Å; I468-V486 HydrophobicContact CG2-CG2 3.98Å; T473-V486 HydrophobicContact CG2-CG2 4.41Å; T473-V486 PolarHBondContact OG1-O 3.41Å; F483-V486 HydrophobicContact CE1-CG2 3.98Å; F483-V486 HydrophobicContact CZ-CG2 4.45Å; P484-V486 VanDerWaalsContact C-N 3.35Å; P484-V486 PolarHBondContact O-N 3.28Å | ||
| 487 | S | 80.3 | Confident | 77.9 | Confident | 109 Ų | 109 | 79 Ų | 79 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -81.3 | -23.6 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 488 | S | 84.1 | Confident | 77.7 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -158.1 | 168.3 | 175 | 64.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 489 | G | 85.5 | Confident | 78 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | trans | 137.9 | -162.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I468 | I468-G489 WeakPolarHBondContact CB-O 3.26Å; I468-G489 PolarHBondContact N-O 2.94Å | ||
| 490 | V | 79.6 | Confident | 78.8 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 122.3 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | M465 I466 | M465-V490 HydrophobicContact CB-CG1 3.5Å; M465-V490 HydrophobicContact CG-CG1 3.59Å; M465-V490 HydrophobicContact SD-CG1 3.94Å; I466-V490 CarbonylContact O-C 3.54Å; I466-V490 WeakPolarHBondContact O-CA 3.33Å |
| 491 | L | 78.8 | Confident | 78.8 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.5 | 169.6 | -179.1 | 68.5 | 0 | 0 | 0 | 109.6 | T285 M465 I466 I468 L476 F483 Q493 | T285-L491 HydrophobicContact CG2-CD2 3.86Å; M465-L491 WeakPolarHBondContact CA-O 3.46Å; I466-L491 PolarHBondContact N-O 3.34Å; I466-L491 PolarHBondContact O-N 3.07Å; I468-L491 HydrophobicContact CD1-CB 4.04Å; L476-L491 HydrophobicContact CD1-CD2 3.89Å; L476-L491 HydrophobicContact CD2-CD2 4.44Å; F483-L491 HydrophobicContact CE2-CD1 3.96Å; F483-L491 HydrophobicContact CZ-CD1 4.22Å; L491-Q493 PolarHBondContact O-N 3.4Å |
| 492 | V | 81.6 | Confident | 78.5 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 93.7 | 165.3 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | I463 Q494 V495 | I463-V492 HydrophobicContact CB-CG1 4.04Å; I463-V492 HydrophobicContact CD1-CG2 4.24Å; I463-V492 HydrophobicContact CG2-CG1 3.75Å; I463-V492 HydrophobicContact CG2-CG2 4.42Å; V492-Q494 VanDerWaalsContact C-N 3.3Å; V492-Q494 PolarHBondContact O-N 2.88Å; V492-V495 HydrophobicContact CG1-CG2 4.07Å |
| 493 | Q | 65.6 | Low | 78 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 11% | 0.112 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -33.9 | 179.8 | -176.8 | -179.6 | 20.1 | 0 | 0 | 111.9 | V286 R464 I466 L491 | V286-Q493 PolarHBondContact O-NE2 2.9Å; V286-Q493 VanDerWaalsContact O-NE2 3.17Å; R464-Q493 HydrophobicContact CG-CB 4.44Å; R464-Q493 VanDerWaalsContact CZ-OE1 3.29Å; R464-Q493 PolarHBondContact O-N 3.02Å; I466-Q493 HydrophobicContact CD1-CB 4.16Å; I466-Q493 HydrophobicContact CD1-CG 4.33Å; I466-Q493 VanDerWaalsContact CD1-OE1 3.29Å; I466-Q493 HydrophobicContact CG1-CB 4.48Å; L491-Q493 PolarHBondContact O-N 3.4Å |
| 494 | Q | 61.3 | Low | 77.8 | Confident | 32 Ų | 32 | 76.7 Ų | 76.7 | 15% | 0.15 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 136.4 | -173 | -158.9 | -150.4 | -61.6 | 0 | 0 | 110.3 | R289 I463 R464 V492 | R289-Q494 HydrophobicContact CG-CG 4.39Å; I463-Q494 WeakPolarHBondContact CA-O 3.28Å; R464-Q494 HydrophobicContact CB-CB 3.83Å; R464-Q494 PolarHBondContact N-O 2.8Å; V492-Q494 VanDerWaalsContact C-N 3.3Å; V492-Q494 PolarHBondContact O-N 2.88Å |
| 495 | V | 71.1 | Confident | 77.4 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 145.5 | 162.2 | -180 | 0 | 0 | 0 | 0 | 108.8 | I463 V492 A501 E502 | I463-V495 HydrophobicContact CG2-CG2 4.45Å; V492-V495 HydrophobicContact CG1-CG2 4.07Å; V495-A501 HydrophobicContact CG1-CB 4.37Å; V495-A501 VanDerWaalsContact CG1-O 3.26Å; V495-A501 WeakPolarHBondContact CG1-O 3.21Å; V495-E502 HydrophobicContact CG1-CB 3.88Å |
| 496 | I | 61.6 | Low | 76.9 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 33% | 0.328 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 127.1 | 173 | -65.6 | 168.6 | 0 | 0 | 0 | 107.9 | F460 G462 S499 | F460-I496 HydrophobicContact CE2-CD1 4.4Å; F460-I496 HydrophobicContact CZ-CD1 3.79Å; G462-I496 VanDerWaalsContact O-CB 3.28Å; G462-I496 WeakPolarHBondContact O-CB 3.15Å; G462-I496 VanDerWaalsContact O-CG1 3.26Å; G462-I496 WeakPolarHBondContact O-CG1 3.44Å; G462-I496 PolarHBondContact O-N 3.34Å; I496-S499 VanDerWaalsContact O-CB 3.22Å; I496-S499 WeakPolarHBondContact O-CB 3.45Å; I496-S499 PolarHBondContact O-N 2.91Å; I496-S499 PolarHBondContact O-OG 3.17Å |
| 497 | P | 62.3 | Low | 76.3 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 152.7 | -179.3 | -22.4 | 31.7 | 0 | 0 | 0 | 113.5 | S499 E502 | P497-S499 PolarHBondContact O-N 3.12Å; P497-E502 VanDerWaalsContact CA-CD 3.42Å; P497-E502 WeakPolarHBondContact CA-OE1 3.4Å; P497-E502 WeakPolarHBondContact CA-OE2 3.28Å; P497-E502 VanDerWaalsContact CB-OE1 3.28Å; P497-E502 WeakPolarHBondContact CB-OE1 3.43Å; P497-E502 WeakPolarHBondContact CB-OE2 3.26Å |
| 498 | K | 76.1 | Confident | 76.1 | Confident | 207 Ų | 207 | 70.2 Ų | 70.2 | 90% | 0.9 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 33.7 | -176.1 | -50 | -175.4 | -180 | -172.9 | 0 | 112.3 | E502 | K498-E502 PolarHBondContact N-OE2 3.43Š|
| 499 | S | 84.3 | Confident | 75.5 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -114.4 | 164.6 | 170.2 | 78 | 0 | 0 | 0 | 0 | 110 | L461 G462 I496 P497 A501 E502 | L461-S499 PolarHBondContact O-OG 3.21Å; G462-S499 WeakPolarHBondContact CA-OG 3.14Å; I496-S499 VanDerWaalsContact O-CB 3.22Å; I496-S499 WeakPolarHBondContact O-CB 3.45Å; I496-S499 PolarHBondContact O-N 2.91Å; I496-S499 PolarHBondContact O-OG 3.17Å; P497-S499 PolarHBondContact O-N 3.12Å; S499-A501 PolarHBondContact O-N 3.04Å; S499-E502 PolarHBondContact O-N 2.94Å; S499-E502 VanDerWaalsContact O-N 3.13Å |
| 500 | P | 88.9 | Confident | 74.7 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 9.3 | -177 | -20.6 | 34.3 | 0 | 0 | 0 | 116.4 | F460 L461 | F460-P500 WeakPolarHBondContact O-CD 3.44Å; L461-P500 HydrophobicContact CD1-CB 4.25Å |
| 501 | A | 80.1 | Confident | 74.3 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 6.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L461 I463 V495 S499 | L461-A501 HydrophobicContact CD1-CB 4.01Å; L461-A501 HydrophobicContact CG-CB 4.13Å; L461-A501 WeakPolarHBondContact O-CB 3.31Å; L461-A501 PolarHBondContact O-N 2.96Å; I463-A501 HydrophobicContact CG2-CB 3.54Å; V495-A501 HydrophobicContact CG1-CB 4.37Å; V495-A501 VanDerWaalsContact CG1-O 3.26Å; V495-A501 WeakPolarHBondContact CG1-O 3.21Å; S499-A501 PolarHBondContact O-N 3.04Å |
| 502 | E | 80.5 | Confident | 73.9 | Confident | 165 Ų | 165 | 73.7 Ų | 73.7 | 77% | 0.771 | 40% | 0.395 | S | S | * | . | trans | -98.3 | 0 | 161.9 | -177.8 | 177.5 | -108.6 | 0 | 0 | 109.5 | V495 P497 K498 S499 | V495-E502 HydrophobicContact CG1-CB 3.88Å; P497-E502 VanDerWaalsContact CA-CD 3.42Å; P497-E502 WeakPolarHBondContact CA-OE1 3.4Å; P497-E502 WeakPolarHBondContact CA-OE2 3.28Å; P497-E502 VanDerWaalsContact CB-OE1 3.28Å; P497-E502 WeakPolarHBondContact CB-OE1 3.43Å; P497-E502 WeakPolarHBondContact CB-OE2 3.26Å; K498-E502 PolarHBondContact N-OE2 3.43Å; S499-E502 PolarHBondContact O-N 2.94Å; S499-E502 VanDerWaalsContact O-N 3.13Å |
Retrieved 502 of 502 residues in 88.3 ms
(Link to these results)