| 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 | 46.2 | Very low | 51.1 | Low | 243 Ų | 243 | 137.8 Ų | 137.8 | 100% | 1.197 | 79% | 0.785 | S | S | * | * | 0 | 107.7 | 0 | -88.9 | 167.1 | 134.5 | 0 | 0 | 106.4 | |||||
| 2 | L | 48.8 | Very low | 51.2 | Low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | 14.5 | 140.5 | 156.9 | -57.4 | 161.9 | 0 | 0 | 0 | 117.6 | ||||
| 3 | D | 51.7 | Low | 50.1 | Low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -179.7 | 126.1 | -4.6 | -117.2 | -20.6 | 0 | 0 | 0 | 101 | ||||
| 4 | T | 50.4 | Low | 49.9 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 113.5 | 126.9 | 77 | -74.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 5 | A | 57.6 | Low | 49.5 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 66.2 | 152.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 6 | D | 53.5 | Low | 49.7 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | cis | -168 | 162.6 | -19.2 | -104.5 | -39.5 | 0 | 0 | 0 | 107.4 | ||||
| 7 | E | 54 | Low | 49.7 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -64.9 | 175.5 | -168.8 | -89.2 | -92.1 | 130.9 | 0 | 0 | 119.4 | ||||
| 8 | P | 56.5 | Low | 49.2 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -102 | 171.9 | -164.5 | 40.7 | -31.6 | 0 | 0 | 0 | 114.4 | ||||
| 9 | V | 48 | Very low | 49.3 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | trans | -139.9 | 139.3 | 168.8 | 175.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 10 | S | 49.9 | Very low | 49.1 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | trans | -83 | 169.7 | -174.5 | 63.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 11 | T | 45.5 | Very low | 49.2 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 144.8 | 146.4 | -26.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 12 | V | 52.8 | Low | 49 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | -168.7 | 147.2 | 37.9 | -151.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | N | 36 | Very low | 48.9 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -68.2 | 148.9 | 161.5 | -73.3 | -38.7 | 0 | 0 | 0 | 111.5 | ||||
| 14 | S | 48.1 | Very low | 48.5 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -177 | 122.6 | 141.8 | -80.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 15 | S | 42.9 | Very low | 48.3 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -84.4 | 152.7 | 158.8 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | P | 52.8 | Low | 47.6 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | -157.1 | 154.2 | 103.9 | 35.9 | -15.2 | 0 | 0 | 0 | 118 | |||||
| 17 | K | 49.8 | Very low | 47 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 51.7 | 109.6 | 131.6 | -58.8 | 175 | -176.6 | 177.1 | 0 | 121.7 | ||||
| 18 | N | 40.9 | Very low | 46.7 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | 53.2 | 117.7 | 113.6 | -156.8 | -3.9 | 0 | 0 | 0 | 119.8 | |||||
| 19 | M | 51.2 | Low | 46.1 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -161.2 | 119 | 140.3 | -92.7 | -162.9 | 74.2 | 0 | 0 | 111.3 | ||||
| 20 | D | 44.9 | Very low | 46 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 141.4 | 170.8 | -65.1 | -60.7 | 0 | 0 | 0 | 113.5 | ||||
| 21 | K | 50.8 | Low | 45.7 | Very low | 207 Ų | 207 | 157.4 Ų | 157.4 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | trans | -157.6 | 116.9 | 145.3 | -125.9 | 173.5 | -174.1 | -177.8 | 0 | 114 | ||||
| 22 | L | 43.9 | Very low | 45.5 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -43.6 | 144.4 | 168.9 | -57.1 | 159.4 | 0 | 0 | 0 | 115.1 | ||||
| 23 | K | 45.5 | Very low | 45.2 | Very low | 202 Ų | 202 | 156.4 Ų | 156.4 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | -178.8 | 119.4 | 117.3 | -103.2 | 176.4 | 179.5 | -174.8 | 0 | 113.5 | |||||
| 24 | L | 43.5 | Very low | 45.8 | Very low | 152 Ų | 152 | 154 Ų | 154 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -11 | 136.9 | 149.1 | -77.1 | 148.9 | 0 | 0 | 0 | 117.3 | ||||
| 25 | L | 46.7 | Very low | 45.9 | Very low | 176 Ų | 176 | 153 Ų | 153 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | -165.2 | 113.5 | 128.2 | -101.6 | 152.4 | 0 | 0 | 0 | 110.4 | |||||
| 26 | S | 42.2 | Very low | 46.1 | Very low | 97 Ų | 97 | 155 Ų | 155 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | -58.6 | 144.2 | 171.8 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 27 | R | 42.2 | Very low | 46.4 | Very low | 240 Ų | 240 | 157.6 Ų | 157.6 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -151 | 113.4 | 151.3 | -140.6 | 168.5 | -172.2 | 159.9 | 1.2 | 111.7 | ||||
| 28 | N | 45.7 | Very low | 46.2 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -63.8 | 142 | 172 | -56.2 | -19.8 | 0 | 0 | 0 | 110.5 | ||||
| 29 | Y | 45.6 | Very low | 46.9 | Very low | 212 Ų | 212 | 152.9 Ų | 152.9 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -137.6 | 96 | 147.9 | 48.8 | -88 | 0 | 0 | 0 | 107.9 | ||||
| 30 | E | 45.2 | Very low | 46.8 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -70.5 | 124.3 | 154 | -65.4 | -179.8 | 159.9 | 0 | 0 | 107.1 | ||||
| 31 | T | 43.5 | Very low | 47.5 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -142.3 | 95.9 | 151.3 | 36.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 32 | S | 41.2 | Very low | 48.1 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -51.2 | 131 | 160.2 | -42.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | S | 47.5 | Very low | 48.9 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -144.2 | 78.5 | 158.2 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 34 | S | 46.9 | Very low | 49.1 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 125.9 | 160.7 | 58 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 35 | S | 50.6 | Low | 49.6 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -128.1 | 99.6 | 162.7 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | I37 | S35-I37 PolarHBondContact O-N 3.44Š| ||
| 36 | D | 46.7 | Very low | 50 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -63.2 | 120.9 | 163.9 | -62.5 | -61.1 | 0 | 0 | 0 | 108.5 | ||||
| 37 | I | 59.7 | Low | 50.6 | Low | 161 Ų | 161 | 148.9 Ų | 148.9 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -121.2 | 108.2 | 160.6 | 118.6 | 161.9 | 0 | 0 | 0 | 106.2 | S35 | S35-I37 PolarHBondContact O-N 3.44Š| ||
| 38 | S | 45.1 | Very low | 51.4 | Low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -115.2 | 126.6 | 165.8 | 67.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 39 | S | 56 | Low | 51.4 | Low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 170.8 | 96 | 158.8 | -97.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 40 | D | 49.9 | Very low | 51.4 | Low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 51.8 | 94 | 65.9 | -160.9 | 25.6 | 0 | 0 | 0 | 112.9 | |||||
| 41 | S | 60 | Low | 51.5 | Low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 174.8 | 96.5 | 153 | -73.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 42 | E | 62.5 | Low | 51.8 | Low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 134.1 | 164.6 | -93.6 | -154.3 | 140.7 | 0 | 0 | 110.3 | ||||
| 43 | P | 60.4 | Low | 52.2 | Low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -81.6 | 119.6 | 160 | 30.3 | -27.9 | 0 | 0 | 0 | 109.8 | L45 | P43-L45 PolarHBondContact O-N 3.11Š| ||
| 44 | E | 50.4 | Low | 52 | Low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -44.9 | 109.9 | 165.1 | -81.3 | -179.4 | 141.2 | 0 | 0 | 110.3 | I46 | E44-I46 VanDerWaalsContact C-N 3.32Å; E44-I46 PolarHBondContact O-N 3.01Å | ||
| 45 | L | 54.3 | Low | 52.2 | Low | 158 Ų | 158 | 147.5 Ų | 147.5 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -72 | 94.3 | 166.1 | -70.2 | 176.3 | 0 | 0 | 0 | 107.6 | P43 E47 | P43-L45 PolarHBondContact O-N 3.11Å; L45-E47 VanDerWaalsContact C-N 3.29Å; L45-E47 PolarHBondContact O-N 3.4Å | ||
| 46 | I | 54.3 | Low | 51.9 | Low | 147 Ų | 147 | 148.9 Ų | 148.9 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -55.5 | 102.4 | 156 | -62 | 170.7 | 0 | 0 | 0 | 105.9 | E44 K48 | E44-I46 VanDerWaalsContact C-N 3.32Å; E44-I46 PolarHBondContact O-N 3.01Å; I46-K48 PolarHBondContact O-N 3.24Å | ||
| 47 | E | 54.4 | Low | 52.2 | Low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 88.6 | 172.5 | -76 | -173.5 | 158.8 | 0 | 0 | 108.4 | L45 | L45-E47 VanDerWaalsContact C-N 3.29Å; L45-E47 PolarHBondContact O-N 3.4Å | ||
| 48 | K | 59.3 | Low | 52.1 | Low | 172 Ų | 172 | 141.4 Ų | 141.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -57.6 | 132 | 161.1 | -69.5 | 179.5 | -180 | 177.2 | 0 | 106.1 | I46 V50 | I46-K48 PolarHBondContact O-N 3.24Å; K48-V50 PolarHBondContact O-N 3.25Å | ||
| 49 | P | 45.5 | Very low | 53.1 | Low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | -55.7 | 114.1 | 176.6 | 23.4 | -31.7 | 0 | 0 | 0 | 107.3 | I51 | P49-I51 PolarHBondContact O-N 3.34Š| ||
| 50 | V | 45.8 | Very low | 53.9 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -68.2 | 87.6 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 105.5 | K48 Q52 | K48-V50 PolarHBondContact O-N 3.25Å; V50-Q52 HydrophobicContact CG1-CG 4.09Å; V50-Q52 PolarHBondContact O-N 3.24Å | ||
| 51 | I | 47.8 | Very low | 55.3 | Low | 145 Ų | 145 | 137.5 Ų | 137.5 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | -62.5 | 95.9 | 160.5 | -61.7 | 172.8 | 0 | 0 | 0 | 103.9 | P49 K53 | P49-I51 PolarHBondContact O-N 3.34Å; I51-K53 VanDerWaalsContact C-N 3.25Å; I51-K53 PolarHBondContact O-N 3.05Å | ||
| 52 | Q | 49.2 | Very low | 56.4 | Low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | trans | -61 | 97.8 | 169.3 | -64.7 | -177.8 | 23.9 | 0 | 0 | 105.4 | V50 | V50-Q52 HydrophobicContact CG1-CG 4.09Å; V50-Q52 PolarHBondContact O-N 3.24Å | ||
| 53 | K | 50.3 | Low | 57.1 | Low | 178 Ų | 178 | 132.3 Ų | 132.3 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | trans | -50.3 | 134.5 | 161.9 | -81.7 | -177 | 175.6 | -178.7 | 0 | 106.1 | I51 K55 | I51-K53 VanDerWaalsContact C-N 3.25Å; I51-K53 PolarHBondContact O-N 3.05Å; K53-K55 PolarHBondContact O-N 3.17Å | ||
| 54 | P | 43.9 | Very low | 58.2 | Low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -51.5 | 117.6 | 173.8 | 22 | -30.6 | 0 | 0 | 0 | 106.6 | D56 | P54-D56 PolarHBondContact O-N 3.05Š| ||
| 55 | K | 49.5 | Very low | 59.8 | Low | 196 Ų | 196 | 126.9 Ų | 126.9 | 85% | 0.852 | 67% | 0.67 | S | S | * | * | trans | -58.1 | 111.4 | 170.4 | -106.8 | 164.5 | 176.5 | 168.8 | 0 | 104.4 | K53 | K53-K55 PolarHBondContact O-N 3.17Š| ||
| 56 | D | 45.5 | Very low | 61.3 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | trans | -46.2 | 132.3 | 170.9 | -64.7 | -41.9 | 0 | 0 | 0 | 107 | P54 A58 | P54-D56 PolarHBondContact O-N 3.05Å; D56-A58 PolarHBondContact O-N 2.96Å | ||
| 57 | P | 52.5 | Low | 62.9 | Low | 72 Ų | 72 | 121 Ų | 121 | 47% | 0.468 | 64% | 0.639 | S | S | . | * | trans | -53 | 121.7 | 177.4 | 23.3 | -31.7 | 0 | 0 | 0 | 106.2 | F59 L60 | P57-F59 CarbonylContact O-C 3.59Å; P57-F59 PolarHBondContact O-N 3.44Å; P57-L60 HydrophobicContact CG-CD2 4.02Å; P57-L60 HydrophobicContact CG-CG 4.37Å | ||
| 58 | A | 57.7 | Low | 64.3 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -59.9 | 0.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | D56 | D56-A58 PolarHBondContact O-N 2.96Š|
| 59 | F | 66.6 | Low | 65.5 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | trans | -136.5 | 91.2 | 179.1 | -52.9 | -80.2 | 0 | 0 | 0 | 107.6 | P57 | P57-F59 CarbonylContact O-C 3.59Å; P57-F59 PolarHBondContact O-N 3.44Å | ||
| 60 | L | 71.8 | Confident | 67.5 | Low | 131 Ų | 131 | 109.7 Ų | 109.7 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | trans | -91 | 108.4 | 166 | -76.8 | 165.6 | 0 | 0 | 0 | 107.2 | P57 | P57-L60 HydrophobicContact CG-CD2 4.02Å; P57-L60 HydrophobicContact CG-CG 4.37Å | ||
| 61 | I | 80 | Confident | 69.6 | Low | 41 Ų | 41 | 112.8 Ų | 112.8 | 21% | 0.21 | 60% | 0.599 | C | S | . | * | trans | -61.7 | 130.5 | 167.7 | -66 | 154.3 | 0 | 0 | 0 | 107.1 | Y65 Y92 Y122 I136 | I61-Y65 HydrophobicContact CG2-CG 4.2Å; I61-Y92 HydrophobicContact CD1-CD1 3.87Å; I61-Y92 HydrophobicContact CD1-CG 4.31Å; I61-Y122 HydrophobicContact CB-CE2 4.49Å; I61-Y122 HydrophobicContact CG1-CD1 4.29Å; I61-Y122 HydrophobicContact CG1-CD2 4.41Å; I61-Y122 HydrophobicContact CG1-CE1 4.13Å; I61-Y122 HydrophobicContact CG1-CE2 4.25Å; I61-Y122 HydrophobicContact CG1-CG 4.41Å; I61-Y122 HydrophobicContact CG2-CD2 4.34Å; I61-Y122 HydrophobicContact CG2-CE2 3.97Å; I61-I136 HydrophobicContact CD1-CD1 3.98Å; I61-I136 HydrophobicContact CD1-CG1 3.73Å; I61-I136 HydrophobicContact CG1-CD1 4.23Å; I61-I136 HydrophobicContact CG1-CG1 4.47Å; I61-I136 HydrophobicContact CG2-CD1 3.64Å | ||
| 62 | P | 83.3 | Confident | 71.6 | Confident | 52 Ų | 52 | 110.3 Ų | 110.3 | 34% | 0.338 | 59% | 0.587 | S | S | . | * | trans | -52.4 | 132.7 | 176.6 | -26.9 | 33.6 | 0 | 0 | 0 | 110.9 | D64 Y65 Y122 | P62-D64 WeakPolarHBondContact CB-OD1 3.33Å; P62-D64 PolarHBondContact O-N 3.41Å; P62-D64 VanDerWaalsContact O-N 3.13Å; P62-Y65 VanDerWaalsContact O-CB 3.32Å; P62-Y65 WeakPolarHBondContact O-CB 3.37Å; P62-Y65 PolarHBondContact O-N 3.38Å; P62-Y122 WeakPolarHBondContact CD-OH 3.36Å | ||
| 63 | P | 77.2 | Confident | 73.6 | Confident | 141 Ų | 141 | 103.3 Ų | 103.3 | 92% | 0.916 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -18.5 | -176.4 | 27.3 | -34.9 | 0 | 0 | 0 | 113 | ||
| 64 | D | 82.7 | Confident | 75.4 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 9.9 | 175.9 | 62.7 | -34.3 | 0 | 0 | 0 | 113.5 | P62 I66 | P62-D64 WeakPolarHBondContact CB-OD1 3.33Å; P62-D64 PolarHBondContact O-N 3.41Å; P62-D64 VanDerWaalsContact O-N 3.13Å; D64-I66 WeakPolarHBondContact O-CG1 3.18Å; D64-I66 PolarHBondContact O-N 3.25Å; D64-I66 VanDerWaalsContact O-N 3.14Å |
| 65 | Y | 83.5 | Confident | 77.3 | Confident | 58 Ų | 58 | 99 Ų | 99 | 23% | 0.227 | 55% | 0.554 | C | S | . | * | trans | -63.4 | 115.9 | 174.6 | -168.7 | -84.5 | 0 | 0 | 0 | 110.9 | I61 P62 L67 E120 Y122 I136 | I61-Y65 HydrophobicContact CG2-CG 4.2Å; P62-Y65 VanDerWaalsContact O-CB 3.32Å; P62-Y65 WeakPolarHBondContact O-CB 3.37Å; P62-Y65 PolarHBondContact O-N 3.38Å; Y65-L67 HydrophobicContact CD1-CD2 4.37Å; Y65-L67 HydrophobicContact CD1-CG 4.47Å; Y65-L67 HydrophobicContact CE1-CD2 3.88Å; Y65-L67 HydrophobicContact CE1-CG 4.38Å; Y65-E120 PolarHBondContact OH-OE1 3.39Å; Y65-Y122 AromaticContact CD2-CD2 3.78Å; Y65-Y122 HydrophobicContact CD2-CD2 3.78Å; Y65-Y122 AromaticContact CD2-CE2 3.66Å; Y65-Y122 HydrophobicContact CD2-CE2 3.66Å; Y65-Y122 AromaticContact CE2-CD2 3.46Å; Y65-Y122 HydrophobicContact CE2-CD2 3.46Å; Y65-Y122 VanDerWaalsContact CE2-CD2 3.46Å; Y65-Y122 AromaticContact CE2-CE2 3.72Å; Y65-Y122 HydrophobicContact CE2-CE2 3.72Å; Y65-I136 HydrophobicContact CD1-CD1 3.49Å; Y65-I136 VanDerWaalsContact CD1-CD1 3.49Å; Y65-I136 HydrophobicContact CD2-CD1 4.26Å; Y65-I136 HydrophobicContact CE1-CD1 3.58Å; Y65-I136 HydrophobicContact CE2-CD1 4.31Å; Y65-I136 HydrophobicContact CG-CD1 3.86Å | ||
| 66 | I | 86.5 | Confident | 79.2 | Confident | 137 Ų | 137 | 96 Ų | 96 | 70% | 0.703 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 118.2 | 179.3 | -55.4 | 176.2 | 0 | 0 | 0 | 109 | D64 | D64-I66 WeakPolarHBondContact O-CG1 3.18Å; D64-I66 PolarHBondContact O-N 3.25Å; D64-I66 VanDerWaalsContact O-N 3.14Å |
| 67 | L | 87.9 | Confident | 81.3 | Confident | 45 Ų | 45 | 92 Ų | 92 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 144.6 | 171.7 | -71.8 | 168.3 | 0 | 0 | 0 | 111.3 | Y65 S69 E120 I136 L137 | Y65-L67 HydrophobicContact CD1-CD2 4.37Å; Y65-L67 HydrophobicContact CD1-CG 4.47Å; Y65-L67 HydrophobicContact CE1-CD2 3.88Å; Y65-L67 HydrophobicContact CE1-CG 4.38Å; L67-S69 PolarHBondContact O-N 2.91Å; L67-E120 HydrophobicContact CD2-CB 3.55Å; L67-I136 HydrophobicContact CD1-CG2 4.04Å; L67-I136 HydrophobicContact CD2-CB 4.02Å; L67-I136 HydrophobicContact CD2-CG2 3.86Å; L67-I136 HydrophobicContact CG-CG2 4.22Å; L67-L137 WeakPolarHBondContact CD1-O 3.33Å |
| 68 | Q | 84.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 94.8 Ų | 94.8 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -64 | 133.2 | 168.6 | -64.4 | -177.7 | 1.8 | 0 | 0 | 110.7 | V70 E120 | Q68-V70 HydrophobicContact CB-CG2 3.89Å; Q68-V70 PolarHBondContact O-N 2.89Å; Q68-V70 VanDerWaalsContact O-N 3.16Å; Q68-E120 PolarHBondContact N-OE2 3.43Å |
| 69 | S | 83.4 | Confident | 84.8 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 93% | 0.93 | 51% | 0.509 | S | S | * | . | trans | -78.2 | 100.9 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | L67 | L67-S69 PolarHBondContact O-N 2.91Š| ||
| 70 | V | 88.8 | Confident | 86.1 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 19% | 0.188 | 49% | 0.493 | C | S | . | . | trans | -115.8 | 137.7 | -177.1 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | Q68 V109 F111 L237 | Q68-V70 HydrophobicContact CB-CG2 3.89Å; Q68-V70 PolarHBondContact O-N 2.89Å; Q68-V70 VanDerWaalsContact O-N 3.16Å; V70-V109 HydrophobicContact CB-CG1 4.39Å; V70-V109 HydrophobicContact CG1-CG1 4.14Å; V70-V109 HydrophobicContact CG2-CG1 4.25Å; V70-V109 HydrophobicContact CG2-CG2 3.97Å; V70-F111 HydrophobicContact CG1-CE1 4.29Å; V70-F111 HydrophobicContact CG1-CZ 4.07Å; V70-L237 HydrophobicContact CG1-CD1 4.44Å; V70-L237 HydrophobicContact CG1-CD2 3.8Å; V70-L237 HydrophobicContact CG2-CD2 3.92Å | ||
| 71 | K | 88.7 | Confident | 87.2 | Confident | 189 Ų | 189 | 85.9 Ų | 85.9 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 153.6 | 173.4 | -66.3 | 179.4 | -178.5 | 175.9 | 0 | 110.1 | ||
| 72 | D | 90.4 | Very high | 87.9 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 146.1 | 169.7 | -64.1 | -28.9 | 0 | 0 | 0 | 110.3 | H117 | D72-H117 WeakPolarHBondContact OD1-CB 3.45Å; D72-H117 PolarHBondContact OD1-N 2.96Å |
| 73 | L | 90.3 | Very high | 88.4 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 13% | 0.126 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 140.1 | -179.6 | -64 | 175.2 | 0 | 0 | 0 | 110.6 | I77 V79 F111 G115 A231 L237 | L73-I77 HydrophobicContact CB-CD1 4.31Å; L73-I77 HydrophobicContact CD2-CB 4.5Å; L73-I77 HydrophobicContact CD2-CD1 3.65Å; L73-I77 HydrophobicContact CD2-CG2 4.22Å; L73-V79 HydrophobicContact CD1-CG1 3.41Å; L73-V79 VanDerWaalsContact CD1-CG1 3.41Å; L73-F111 HydrophobicContact CD1-CB 4.03Å; L73-F111 HydrophobicContact CD1-CD1 3.64Å; L73-F111 HydrophobicContact CD1-CD2 3.52Å; L73-F111 HydrophobicContact CD1-CE1 3.93Å; L73-F111 HydrophobicContact CD1-CE2 3.81Å; L73-F111 HydrophobicContact CD1-CG 3.42Å; L73-F111 VanDerWaalsContact CD1-CG 3.42Å; L73-F111 HydrophobicContact CD1-CZ 4Å; L73-F111 HydrophobicContact CD2-CD1 4.44Å; L73-F111 HydrophobicContact CD2-CE1 3.91Å; L73-F111 HydrophobicContact CD2-CE2 4.15Å; L73-F111 HydrophobicContact CD2-CZ 3.74Å; L73-F111 HydrophobicContact CG-CD1 3.56Å; L73-F111 HydrophobicContact CG-CD2 4.19Å; L73-F111 HydrophobicContact CG-CE1 3.49Å; L73-F111 VanDerWaalsContact CG-CE1 3.49Å; L73-F111 HydrophobicContact CG-CE2 4.11Å; L73-F111 HydrophobicContact CG-CG 3.92Å; L73-F111 HydrophobicContact CG-CZ 3.76Å; L73-G115 PolarHBondContact N-O 3.1Å; L73-A231 HydrophobicContact CD1-CB 4.37Å; L73-L237 HydrophobicContact CD2-CD1 4.43Å |
| 74 | T | 88.7 | Confident | 89.3 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 152.3 | 167.8 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | D76 I77 | T74-D76 VanDerWaalsContact C-OD1 3.3Å; T74-D76 WeakPolarHBondContact CB-OD1 3.38Å; T74-D76 PolarHBondContact O-N 3.16Å; T74-D76 PolarHBondContact OG1-OD1 3.2Å; T74-I77 PolarHBondContact O-N 3.33Å; T74-I77 VanDerWaalsContact O-N 3.11Å |
| 75 | A | 84.6 | Confident | 89.9 | Confident | 117 Ų | 117 | 73.2 Ų | 73.2 | 97% | 0.967 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 76 | D | 88 | Confident | 90.3 | Very high | 132 Ų | 132 | 71.5 Ų | 71.5 | 71% | 0.706 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.7 | 175.9 | 60.1 | -35 | 0 | 0 | 0 | 113.4 | T74 | T74-D76 VanDerWaalsContact C-OD1 3.3Å; T74-D76 WeakPolarHBondContact CB-OD1 3.38Å; T74-D76 PolarHBondContact O-N 3.16Å; T74-D76 PolarHBondContact OG1-OD1 3.2Å |
| 77 | I | 90 | Very high | 90.5 | Very high | 46 Ų | 46 | 69.7 Ų | 69.7 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -80.4 | 127.5 | -176.9 | -58.4 | 171.6 | 0 | 0 | 0 | 110 | L73 T74 V79 A231 M234 | L73-I77 HydrophobicContact CB-CD1 4.31Å; L73-I77 HydrophobicContact CD2-CB 4.5Å; L73-I77 HydrophobicContact CD2-CD1 3.65Å; L73-I77 HydrophobicContact CD2-CG2 4.22Å; T74-I77 PolarHBondContact O-N 3.33Å; T74-I77 VanDerWaalsContact O-N 3.11Å; I77-V79 PolarHBondContact O-N 3.01Å; I77-A231 HydrophobicContact CG2-CB 4.35Å; I77-M234 HydrophobicContact CG2-CG 4.37Å |
| 78 | K | 91.5 | Very high | 90.5 | Very high | 129 Ų | 129 | 67.9 Ų | 67.9 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | trans | -71.8 | 119.5 | 176.4 | -175.2 | -176.8 | 176 | -171.8 | 0 | 110.5 | P232 D233 | K78-P232 WeakPolarHBondContact O-CD 3.29Å; K78-D233 WeakPolarHBondContact CB-OD2 3.18Å | ||
| 79 | V | 92.4 | Very high | 90.6 | Very high | 50 Ų | 50 | 68 Ų | 68 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | trans | -105 | 148.7 | 171.7 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | L73 I77 F229 Y230 | L73-V79 HydrophobicContact CD1-CG1 3.41Å; L73-V79 VanDerWaalsContact CD1-CG1 3.41Å; I77-V79 PolarHBondContact O-N 3.01Å; V79-F229 HydrophobicContact CB-CB 4.02Å; V79-F229 HydrophobicContact CB-CD1 4.49Å; V79-F229 HydrophobicContact CG2-CB 4.36Å; V79-F229 HydrophobicContact CG2-CD1 4.12Å; V79-F229 HydrophobicContact CG2-CG 4.39Å; V79-Y230 CarbonylContact C-O 3.5Å; V79-Y230 WeakPolarHBondContact CA-O 3.36Å | ||
| 80 | S | 93.7 | Very high | 90.5 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.5 | 178.1 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | L82 F229 Y230 | S80-L82 PolarHBondContact O-N 3.5Å; S80-F229 CarbonylContact O-C 3.52Å; S80-F229 WeakPolarHBondContact O-CA 3.21Å; S80-F229 WeakPolarHBondContact O-CB 3.49Å; S80-Y230 VanDerWaalsContact CB-CE1 3.41Å; S80-Y230 VanDerWaalsContact CB-CZ 3.49Å; S80-Y230 PolarHBondContact N-O 2.86Å; S80-Y230 WeakPolarHBondContact O-CD1 3.5Å; S80-Y230 PolarHBondContact O-N 3.42Å |
| 81 | L | 94.7 | Very high | 90.3 | Very high | 82 Ų | 82 | 73.5 Ų | 73.5 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 123.4 | -177.9 | -179.7 | 61.2 | 0 | 0 | 0 | 110.6 | I98 F229 | L81-I98 HydrophobicContact CD1-CD1 4.04Å; L81-I98 HydrophobicContact CD2-CD1 3.24Å; L81-I98 HydrophobicContact CD2-CG1 4.5Å; L81-I98 HydrophobicContact CG-CD1 3.43Å; L81-I98 VanDerWaalsContact CG-CD1 3.43Å; L81-I98 HydrophobicContact CG-CG1 4.31Å; L81-F229 HydrophobicContact CB-CD1 4.11Å; L81-F229 HydrophobicContact CB-CE1 3.96Å; L81-F229 HydrophobicContact CD1-CD1 4.3Å; L81-F229 HydrophobicContact CD1-CE1 3.88Å; L81-F229 HydrophobicContact CD1-CE2 4.4Å; L81-F229 HydrophobicContact CD1-CZ 3.94Å; L81-F229 HydrophobicContact CG-CE1 4.49Å |
| 82 | L | 94.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -46.7 | 179 | -176.6 | 63.3 | 0 | 0 | 0 | 112 | S80 S97 I98 L104 L110 Y133 V228 Y230 | S80-L82 PolarHBondContact O-N 3.5Å; L82-S97 VanDerWaalsContact O-CA 3.31Å; L82-S97 WeakPolarHBondContact O-CA 3.48Å; L82-S97 PolarHBondContact O-OG 2.87Å; L82-I98 PolarHBondContact O-N 2.91Å; L82-L104 HydrophobicContact CD1-CD1 3.74Å; L82-L104 HydrophobicContact CD1-CG 4.02Å; L82-L104 HydrophobicContact CD2-CD1 3.68Å; L82-L104 HydrophobicContact CG-CD1 4.33Å; L82-L110 HydrophobicContact CD2-CD1 3.87Å; L82-L110 HydrophobicContact CD2-CD2 3.56Å; L82-L110 HydrophobicContact CD2-CG 4.39Å; L82-Y133 HydrophobicContact CD1-CE2 3.68Å; L82-Y133 HydrophobicContact CD2-CD2 3.9Å; L82-Y133 HydrophobicContact CD2-CE2 3.8Å; L82-Y133 HydrophobicContact CG-CD2 4.25Å; L82-Y133 HydrophobicContact CG-CE2 3.77Å; L82-V228 WeakPolarHBondContact CB-O 3.26Å; L82-V228 PolarHBondContact N-O 3.46Å; L82-Y230 HydrophobicContact CB-CD1 3.96Å; L82-Y230 HydrophobicContact CD1-CD1 4.17Å; L82-Y230 HydrophobicContact CD1-CE1 4.49Å |
| 83 | G | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | -179.9 | -154.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R96 V228 | G83-R96 CarbonylContact C-O 3.49Å; G83-R96 WeakPolarHBondContact CA-O 3.11Å; G83-V228 PolarHBondContact N-O 3.16Å; G83-V228 PolarHBondContact O-N 2.97Å |
| 84 | K | 94.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 37% | 0.365 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143 | 170.9 | -69.5 | -172.4 | 175.1 | -168 | 0 | 110.5 | S86 R96 E225 V226 | K84-S86 PolarHBondContact O-N 3.36Å; K84-R96 PolarHBondContact N-O 3.49Å; K84-R96 PolarHBondContact O-N 3.08Å; K84-E225 HydrophobicContact CD-CB 4.38Å; K84-V226 WeakPolarHBondContact CA-O 3.25Å |
| 85 | I | 94.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 122.6 | 174.5 | -58.8 | -179.3 | 0 | 0 | 0 | 109.3 | V88 V93 I95 L223 E225 V226 V228 | I85-V88 HydrophobicContact CG2-CG2 3.54Å; I85-V93 HydrophobicContact CG2-CB 4.36Å; I85-I95 HydrophobicContact CG1-CG1 4.41Å; I85-L223 WeakPolarHBondContact CB-O 3.15Å; I85-E225 PolarHBondContact O-N 2.98Å; I85-V226 HydrophobicContact CD1-CB 4.13Å; I85-V226 HydrophobicContact CG1-CB 4.48Å; I85-V226 PolarHBondContact N-O 3.03Å; I85-V228 HydrophobicContact CD1-CG2 4.14Å; I85-V228 HydrophobicContact CG1-CG2 3.67Å |
| 86 | S | 92.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -40.3 | 179.3 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | K84 V94 R96 | K84-S86 PolarHBondContact O-N 3.36Å; S86-V94 PolarHBondContact N-O 3.23Å; S86-R96 PolarHBondContact OG-NH2 2.99Å |
| 87 | Q | 90.5 | Very high | 91.9 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 46% | 0.458 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 146.2 | 179.5 | -54.1 | -174.5 | 28.4 | 0 | 0 | 109.9 | F89 V93 V94 | Q87-F89 HydrophobicContact CB-CE2 3.78Å; Q87-F89 HydrophobicContact CB-CZ 4.23Å; Q87-V93 WeakPolarHBondContact O-CA 3.28Å; Q87-V94 HydrophobicContact CB-CB 4.11Å; Q87-V94 HydrophobicContact CB-CG2 4.45Å; Q87-V94 PolarHBondContact N-O 3.14Å; Q87-V94 PolarHBondContact O-N 3.38Å |
| 88 | V | 88.9 | Confident | 91.9 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.4 | 179.4 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | I85 V93 V143 N220 L223 | I85-V88 HydrophobicContact CG2-CG2 3.54Å; V88-V93 HydrophobicContact CB-CG1 4.36Å; V88-V93 HydrophobicContact CG1-CG1 4.12Å; V88-V93 HydrophobicContact CG2-CG1 4.12Å; V88-V143 HydrophobicContact CG1-CG1 4.43Å; V88-V143 HydrophobicContact CG1-CG2 4.28Å; V88-N220 HydrophobicContact CB-CB 4.3Å; V88-N220 WeakPolarHBondContact CG1-OD1 3.37Å; V88-N220 PolarHBondContact O-ND2 3.46Å; V88-L223 HydrophobicContact CG1-CD1 4.03Å; V88-L223 HydrophobicContact CG2-CB 3.74Å; V88-L223 HydrophobicContact CG2-CD1 4.16Å |
| 89 | F | 85.6 | Confident | 90.8 | Very high | 69 Ų | 69 | 54.4 Ų | 54.4 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | trans | -119.1 | 177.4 | 173.9 | -56.2 | -92.1 | 0 | 0 | 0 | 109.4 | Q87 K91 Y92 V94 | Q87-F89 HydrophobicContact CB-CE2 3.78Å; Q87-F89 HydrophobicContact CB-CZ 4.23Å; F89-K91 PolarHBondContact O-N 3.14Å; F89-Y92 CarbonylContact C-O 3.59Å; F89-Y92 WeakPolarHBondContact CA-O 3.15Å; F89-Y92 HydrophobicContact CB-CD1 4.38Å; F89-Y92 HydrophobicContact CB-CD2 3.79Å; F89-Y92 HydrophobicContact CB-CE1 4.19Å; F89-Y92 HydrophobicContact CB-CE2 3.61Å; F89-Y92 HydrophobicContact CB-CG 4.19Å; F89-Y92 VanDerWaalsContact CB-O 3.27Å; F89-Y92 WeakPolarHBondContact CB-O 3.25Å; F89-Y92 AromaticContact CD1-CE2 3.88Å; F89-Y92 HydrophobicContact CD1-CE2 3.88Å; F89-Y92 AromaticContact CD2-CD2 3.4Å; F89-Y92 HydrophobicContact CD2-CD2 3.4Å; F89-Y92 AromaticContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CG 4.49Å; F89-Y92 HydrophobicContact CE1-CE2 4.34Å; F89-Y92 HydrophobicContact CE2-CD2 4.15Å; F89-Y92 AromaticContact CE2-CE2 3.73Å; F89-Y92 HydrophobicContact CE2-CE2 3.73Å; F89-Y92 AromaticContact CG-CD2 3.75Å; F89-Y92 HydrophobicContact CG-CD2 3.75Å; F89-Y92 AromaticContact CG-CE2 3.27Å; F89-Y92 HydrophobicContact CG-CE2 3.27Å; F89-Y92 AromaticContact CG-CZ 3.76Å; F89-Y92 HydrophobicContact CZ-CE2 4.27Å; F89-Y92 PolarHBondContact N-O 3.41Å; F89-V94 HydrophobicContact CE2-CG2 3.91Å | ||
| 90 | D | 81.4 | Confident | 89.5 | Confident | 120 Ų | 120 | 53.2 Ų | 53.2 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -65.6 | -35.5 | -174.4 | -69.1 | -19.8 | 0 | 0 | 0 | 112.8 | K216 | D90-K216 IonicContact OD1-NZ 3.16Å; D90-K216 PolarHBondContact OD1-NZ 2.82Å; D90-K216 IonicContact OD2-NZ 2.84Å; D90-K216 PolarHBondContact OD2-NZ 3.27Å |
| 91 | K | 86.4 | Confident | 88.6 | Confident | 161 Ų | 161 | 56.1 Ų | 56.1 | 70% | 0.7 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -120.1 | -11.4 | -177.1 | -65.7 | -168.2 | 177.1 | -169 | 0 | 115.1 | F89 L137 | F89-K91 PolarHBondContact O-N 3.14Å; K91-L137 PolarHBondContact O-N 3.33Å |
| 92 | Y | 90.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.5 | -174.2 | 53.5 | -91.5 | 0 | 0 | 0 | 110.8 | I61 F89 L134 V135 | I61-Y92 HydrophobicContact CD1-CD1 3.87Å; I61-Y92 HydrophobicContact CD1-CG 4.31Å; F89-Y92 CarbonylContact C-O 3.59Å; F89-Y92 WeakPolarHBondContact CA-O 3.15Å; F89-Y92 HydrophobicContact CB-CD1 4.38Å; F89-Y92 HydrophobicContact CB-CD2 3.79Å; F89-Y92 HydrophobicContact CB-CE1 4.19Å; F89-Y92 HydrophobicContact CB-CE2 3.61Å; F89-Y92 HydrophobicContact CB-CG 4.19Å; F89-Y92 VanDerWaalsContact CB-O 3.27Å; F89-Y92 WeakPolarHBondContact CB-O 3.25Å; F89-Y92 AromaticContact CD1-CE2 3.88Å; F89-Y92 HydrophobicContact CD1-CE2 3.88Å; F89-Y92 AromaticContact CD2-CD2 3.4Å; F89-Y92 HydrophobicContact CD2-CD2 3.4Å; F89-Y92 AromaticContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CG 4.49Å; F89-Y92 HydrophobicContact CE1-CE2 4.34Å; F89-Y92 HydrophobicContact CE2-CD2 4.15Å; F89-Y92 AromaticContact CE2-CE2 3.73Å; F89-Y92 HydrophobicContact CE2-CE2 3.73Å; F89-Y92 AromaticContact CG-CD2 3.75Å; F89-Y92 HydrophobicContact CG-CD2 3.75Å; F89-Y92 AromaticContact CG-CE2 3.27Å; F89-Y92 HydrophobicContact CG-CE2 3.27Å; F89-Y92 AromaticContact CG-CZ 3.76Å; F89-Y92 HydrophobicContact CZ-CE2 4.27Å; F89-Y92 PolarHBondContact N-O 3.41Å; Y92-L134 HydrophobicContact CD2-CD1 3.44Å; Y92-L134 VanDerWaalsContact CD2-CD1 3.44Å; Y92-L134 HydrophobicContact CE2-CD1 4.15Å; Y92-L134 HydrophobicContact CG-CD1 4.01Å; Y92-V135 CarbonylContact C-O 3.59Å; Y92-V135 WeakPolarHBondContact CA-O 3.31Å; Y92-V135 WeakPolarHBondContact CB-O 3.48Å |
| 93 | V | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.5 | 176.7 | -63 | 0 | 0 | 0 | 0 | 109.8 | I85 Q87 V88 I95 V135 L137 | I85-V93 HydrophobicContact CG2-CB 4.36Å; Q87-V93 WeakPolarHBondContact O-CA 3.28Å; V88-V93 HydrophobicContact CB-CG1 4.36Å; V88-V93 HydrophobicContact CG1-CG1 4.12Å; V88-V93 HydrophobicContact CG2-CG1 4.12Å; V93-I95 HydrophobicContact CG2-CD1 4.44Å; V93-I95 HydrophobicContact CG2-CG1 4.16Å; V93-V135 HydrophobicContact CG2-CB 3.86Å; V93-V135 HydrophobicContact CG2-CG1 4.32Å; V93-V135 PolarHBondContact N-O 2.83Å; V93-V135 PolarHBondContact O-N 3.16Å; V93-L137 HydrophobicContact CB-CD2 4.48Å; V93-L137 HydrophobicContact CG1-CD1 4.02Å; V93-L137 HydrophobicContact CG1-CD2 3.79Å; V93-L137 HydrophobicContact CG1-CG 4.12Å; V93-L137 HydrophobicContact CG2-CD2 3.91Å |
| 94 | V | 94.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.9 | 170.8 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | S86 Q87 F89 F125 F132 Y133 L134 | S86-V94 PolarHBondContact N-O 3.23Å; Q87-V94 HydrophobicContact CB-CB 4.11Å; Q87-V94 HydrophobicContact CB-CG2 4.45Å; Q87-V94 PolarHBondContact N-O 3.14Å; Q87-V94 PolarHBondContact O-N 3.38Å; F89-V94 HydrophobicContact CE2-CG2 3.91Å; V94-F125 HydrophobicContact CG1-CZ 3.92Å; V94-F132 HydrophobicContact CG1-CB 4.4Å; V94-F132 HydrophobicContact CG1-CD1 3.99Å; V94-Y133 CarbonylContact C-O 3.6Å; V94-Y133 WeakPolarHBondContact CA-O 3.42Å; V94-L134 HydrophobicContact CG2-CD1 4.27Å |
| 95 | I | 95.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.4 | 178.6 | -55.5 | 179 | 0 | 0 | 0 | 108.1 | I85 V93 L110 L118 F132 Y133 V135 V228 | I85-I95 HydrophobicContact CG1-CG1 4.41Å; V93-I95 HydrophobicContact CG2-CD1 4.44Å; V93-I95 HydrophobicContact CG2-CG1 4.16Å; I95-L110 HydrophobicContact CD1-CD1 3.48Å; I95-L110 VanDerWaalsContact CD1-CD1 3.48Å; I95-L118 HydrophobicContact CD1-CD2 4.18Å; I95-F132 CarbonylContact O-C 3.45Å; I95-F132 WeakPolarHBondContact O-CA 3.32Å; I95-Y133 HydrophobicContact CB-CD2 4.5Å; I95-Y133 PolarHBondContact N-O 3.27Å; I95-Y133 PolarHBondContact O-N 3.27Å; I95-V135 HydrophobicContact CD1-CB 4.41Å; I95-V135 HydrophobicContact CD1-CG2 3.66Å; I95-V135 HydrophobicContact CG1-CG2 4.16Å; I95-V228 HydrophobicContact CD1-CB 3.99Å; I95-V228 HydrophobicContact CD1-CG1 3.74Å; I95-V228 HydrophobicContact CD1-CG2 3.85Å; I95-V228 HydrophobicContact CG1-CG2 4.46Å; I95-V228 HydrophobicContact CG2-CB 4.47Å |
| 96 | R | 95 | Very high | 87.9 | Confident | 121 Ų | 121 | 59.8 Ų | 59.8 | 46% | 0.457 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.3 | 170.3 | 173.9 | 168 | 41.6 | -143.1 | -11.2 | 108.5 | G83 K84 S86 F132 | G83-R96 CarbonylContact C-O 3.49Å; G83-R96 WeakPolarHBondContact CA-O 3.11Å; K84-R96 PolarHBondContact N-O 3.49Å; K84-R96 PolarHBondContact O-N 3.08Å; S86-R96 PolarHBondContact OG-NH2 2.99Å; R96-F132 HydrophobicContact CB-CD1 3.83Å; R96-F132 HydrophobicContact CB-CE1 3.66Å; R96-F132 HydrophobicContact CB-CZ 4.48Å; R96-F132 HydrophobicContact CG-CD1 4.29Å; R96-F132 HydrophobicContact CG-CE1 3.81Å; R96-F132 HydrophobicContact CG-CZ 4.15Å |
| 97 | S | 94.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 145.3 | 174.2 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | L82 S100 P131 | L82-S97 VanDerWaalsContact O-CA 3.31Å; L82-S97 WeakPolarHBondContact O-CA 3.48Å; L82-S97 PolarHBondContact O-OG 2.87Å; S97-S100 VanDerWaalsContact CB-OG 3.27Å; S97-S100 WeakPolarHBondContact CB-OG 3.25Å; S97-S100 WeakPolarHBondContact OG-CB 3.36Å; S97-S100 PolarHBondContact OG-OG 3.24Å; S97-P131 VanDerWaalsContact CB-O 3.29Å; S97-P131 WeakPolarHBondContact CB-O 3.46Å; S97-P131 PolarHBondContact N-O 2.77Å |
| 98 | I | 89.6 | Confident | 88.2 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -99.8 | 108.3 | 164.9 | 38.8 | 169.1 | 0 | 0 | 0 | 108.7 | L81 L82 S100 | L81-I98 HydrophobicContact CD1-CD1 4.04Å; L81-I98 HydrophobicContact CD2-CD1 3.24Å; L81-I98 HydrophobicContact CD2-CG1 4.5Å; L81-I98 HydrophobicContact CG-CD1 3.43Å; L81-I98 VanDerWaalsContact CG-CD1 3.43Å; L81-I98 HydrophobicContact CG-CG1 4.31Å; L82-I98 PolarHBondContact O-N 2.91Å; I98-S100 PolarHBondContact O-N 3.33Å |
| 99 | N | 67.4 | Low | 88.5 | Confident | 143 Ų | 143 | 60 Ų | 60 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 41.3 | 64.2 | 175.2 | -64.9 | -18.3 | 0 | 0 | 0 | 113.5 | A101 | N99-A101 PolarHBondContact O-N 3.1Š|
| 100 | S | 66 | Low | 89 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | trans | -59.5 | 108.2 | -179.7 | -89.7 | 0 | 0 | 0 | 0 | 111.2 | S97 I98 V102 | S97-S100 VanDerWaalsContact CB-OG 3.27Å; S97-S100 WeakPolarHBondContact CB-OG 3.25Å; S97-S100 WeakPolarHBondContact OG-CB 3.36Å; S97-S100 PolarHBondContact OG-OG 3.24Å; I98-S100 PolarHBondContact O-N 3.33Å; S100-V102 WeakPolarHBondContact CB-O 3.3Å; S100-V102 PolarHBondContact OG-O 3.08Å | ||
| 101 | A | 75.5 | Confident | 89.6 | Confident | 92 Ų | 92 | 51 Ų | 51 | 76% | 0.76 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -69.4 | -29.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N99 | N99-A101 PolarHBondContact O-N 3.1Š|
| 102 | V | 87.2 | Confident | 89.9 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 30% | 0.303 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -124.5 | 130.5 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | S100 L104 P240 | S100-V102 WeakPolarHBondContact CB-O 3.3Å; S100-V102 PolarHBondContact OG-O 3.08Å; V102-L104 HydrophobicContact CG1-CD2 4.18Å; V102-P240 HydrophobicContact CG1-CB 3.89Å |
| 103 | V | 91.9 | Very high | 89.9 | Confident | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.6 | 171.3 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | T124 P131 P240 V241 | V103-T124 HydrophobicContact CG1-CG2 3.81Å; V103-P131 HydrophobicContact CG1-CG 4.32Å; V103-P131 HydrophobicContact CG2-CG 4.27Å; V103-P240 CarbonylContact O-C 3.6Å; V103-V241 HydrophobicContact CB-CB 4.14Å; V103-V241 HydrophobicContact CG1-CB 4.1Å; V103-V241 HydrophobicContact CG1-CG2 4.27Å; V103-V241 PolarHBondContact O-N 2.86Å |
| 104 | L | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 145.2 | 178.8 | -59.3 | -177.3 | 0 | 0 | 0 | 111.3 | L82 V102 L110 T124 Y133 Y230 T238 | L82-L104 HydrophobicContact CD1-CD1 3.74Å; L82-L104 HydrophobicContact CD1-CG 4.02Å; L82-L104 HydrophobicContact CD2-CD1 3.68Å; L82-L104 HydrophobicContact CG-CD1 4.33Å; V102-L104 HydrophobicContact CG1-CD2 4.18Å; L104-L110 HydrophobicContact CD1-CD2 3.65Å; L104-T124 PolarHBondContact O-OG1 2.83Å; L104-Y133 HydrophobicContact CB-CE1 3.88Å; L104-Y133 PolarHBondContact N-OH 3.37Å; L104-Y230 HydrophobicContact CD1-CG 4.23Å; L104-Y230 HydrophobicContact CD2-CD2 4.34Å; L104-T238 HydrophobicContact CD2-CG2 3.63Å |
| 105 | N | 92 | Very high | 89.5 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 169.8 | 176.7 | -155.2 | 8.8 | 0 | 0 | 0 | 110.5 | S108 I239 V241 | N105-S108 VanDerWaalsContact O-CB 3.29Å; N105-S108 WeakPolarHBondContact O-CB 3.41Å; N105-S108 PolarHBondContact O-N 2.96Å; N105-S108 PolarHBondContact O-OG 3.01Å; N105-I239 HydrophobicContact CB-CB 4.06Å; N105-I239 HydrophobicContact CB-CG2 3.67Å; N105-I239 WeakPolarHBondContact CB-O 3.46Å; N105-I239 PolarHBondContact N-O 2.87Å; N105-V241 HydrophobicContact CB-CG2 3.53Å |
| 106 | E | 93 | Very high | 89.3 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 148.9 | 167.3 | -54.9 | -179.2 | -178.6 | 0 | 0 | 111 | S108 V121 Y122 | E106-S108 PolarHBondContact O-N 2.88Å; E106-V121 CarbonylContact C-O 3.57Å; E106-V121 WeakPolarHBondContact CA-O 3.47Å; E106-Y122 WeakPolarHBondContact CG-O 3.03Å |
| 107 | R | 93.8 | Very high | 89.2 | Confident | 132 Ų | 132 | 51.6 Ų | 51.6 | 50% | 0.498 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 5.5 | -176.6 | -45.2 | -169.6 | 119.9 | 150.8 | 6.4 | 116.3 | E120 V121 I239 | R107-E120 WeakPolarHBondContact CA-OE1 3.23Å; R107-E120 HydrophobicContact CB-CG 4.45Å; R107-E120 WeakPolarHBondContact CB-OE1 3.29Å; R107-E120 WeakPolarHBondContact CG-OE1 3.5Å; R107-E120 IonicContact NE-OE1 2.82Å; R107-V121 PolarHBondContact N-O 2.79Å; R107-I239 HydrophobicContact CB-CD1 4.07Å |
| 108 | S | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -68.8 | 138.5 | 170.1 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | N105 E106 E120 V121 L237 I239 | N105-S108 VanDerWaalsContact O-CB 3.29Å; N105-S108 WeakPolarHBondContact O-CB 3.41Å; N105-S108 PolarHBondContact O-N 2.96Å; N105-S108 PolarHBondContact O-OG 3.01Å; E106-S108 PolarHBondContact O-N 2.88Å; S108-E120 CarbonylContact O-C 3.57Å; S108-E120 WeakPolarHBondContact O-CA 3.33Å; S108-V121 WeakPolarHBondContact O-CG2 3.03Å; S108-V121 PolarHBondContact O-N 2.58Å; S108-L237 CarbonylContact C-O 3.07Å; S108-L237 VanDerWaalsContact CA-O 3.31Å; S108-L237 WeakPolarHBondContact CA-O 3.42Å; S108-I239 PolarHBondContact OG-N 2.88Å; S108-I239 VanDerWaalsContact OG-N 3.15Å; S108-I239 PolarHBondContact OG-O 3.26Å | ||
| 109 | V | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.9 | -175.9 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | V70 F111 H117 L237 | V70-V109 HydrophobicContact CB-CG1 4.39Å; V70-V109 HydrophobicContact CG1-CG1 4.14Å; V70-V109 HydrophobicContact CG2-CG1 4.25Å; V70-V109 HydrophobicContact CG2-CG2 3.97Å; V109-F111 HydrophobicContact CB-CE2 4.35Å; V109-F111 HydrophobicContact CB-CZ 4.43Å; V109-F111 HydrophobicContact CG1-CE1 4.19Å; V109-F111 HydrophobicContact CG1-CE2 3.79Å; V109-F111 HydrophobicContact CG1-CZ 3.55Å; V109-H117 WeakPolarHBondContact CG1-CE1 3.35Å; V109-H117 WeakPolarHBondContact CG1-ND1 3.12Å; V109-L237 HydrophobicContact CB-CB 4.22Å; V109-L237 HydrophobicContact CB-CD2 4.14Å; V109-L237 HydrophobicContact CG2-CD2 3.99Å; V109-L237 PolarHBondContact N-O 3.18Å |
| 110 | L | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 152.6 | -176.1 | -56.5 | -174.3 | 0 | 0 | 0 | 112.1 | L82 I95 L104 L118 G119 V121 V135 V228 | L82-L110 HydrophobicContact CD2-CD1 3.87Å; L82-L110 HydrophobicContact CD2-CD2 3.56Å; L82-L110 HydrophobicContact CD2-CG 4.39Å; I95-L110 HydrophobicContact CD1-CD1 3.48Å; I95-L110 VanDerWaalsContact CD1-CD1 3.48Å; L104-L110 HydrophobicContact CD1-CD2 3.65Å; L110-L118 HydrophobicContact CB-CD2 4.48Å; L110-L118 WeakPolarHBondContact O-CB 3.4Å; L110-L118 PolarHBondContact O-N 2.77Å; L110-G119 PolarHBondContact N-O 2.89Å; L110-V121 HydrophobicContact CD1-CG2 3.88Å; L110-V121 HydrophobicContact CD2-CG2 4.26Å; L110-V121 HydrophobicContact CG-CG2 3.98Å; L110-V135 HydrophobicContact CD1-CG1 4.33Å; L110-V135 HydrophobicContact CD1-CG2 3.6Å; L110-V228 HydrophobicContact CB-CG1 3.79Å; L110-V228 HydrophobicContact CD1-CG1 3.97Å; L110-V228 HydrophobicContact CG-CG1 4.4Å |
| 111 | F | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.1 | -174.9 | -58.3 | -85.3 | 0 | 0 | 0 | 111.2 | V70 L73 V109 G115 K116 H117 V228 F229 A231 L237 | V70-F111 HydrophobicContact CG1-CE1 4.29Å; V70-F111 HydrophobicContact CG1-CZ 4.07Å; L73-F111 HydrophobicContact CD1-CB 4.03Å; L73-F111 HydrophobicContact CD1-CD1 3.64Å; L73-F111 HydrophobicContact CD1-CD2 3.52Å; L73-F111 HydrophobicContact CD1-CE1 3.93Å; L73-F111 HydrophobicContact CD1-CE2 3.81Å; L73-F111 HydrophobicContact CD1-CG 3.42Å; L73-F111 VanDerWaalsContact CD1-CG 3.42Å; L73-F111 HydrophobicContact CD1-CZ 4Å; L73-F111 HydrophobicContact CD2-CD1 4.44Å; L73-F111 HydrophobicContact CD2-CE1 3.91Å; L73-F111 HydrophobicContact CD2-CE2 4.15Å; L73-F111 HydrophobicContact CD2-CZ 3.74Å; L73-F111 HydrophobicContact CG-CD1 3.56Å; L73-F111 HydrophobicContact CG-CD2 4.19Å; L73-F111 HydrophobicContact CG-CE1 3.49Å; L73-F111 VanDerWaalsContact CG-CE1 3.49Å; L73-F111 HydrophobicContact CG-CE2 4.11Å; L73-F111 HydrophobicContact CG-CG 3.92Å; L73-F111 HydrophobicContact CG-CZ 3.76Å; V109-F111 HydrophobicContact CB-CE2 4.35Å; V109-F111 HydrophobicContact CB-CZ 4.43Å; V109-F111 HydrophobicContact CG1-CE1 4.19Å; V109-F111 HydrophobicContact CG1-CE2 3.79Å; V109-F111 HydrophobicContact CG1-CZ 3.55Å; F111-G115 WeakPolarHBondContact CD1-O 3.32Å; F111-K116 CarbonylContact C-O 3.6Å; F111-K116 VanDerWaalsContact CA-O 3.29Å; F111-K116 WeakPolarHBondContact CA-O 3.43Å; F111-H117 HydrophobicContact CD1-CB 4.29Å; F111-H117 HydrophobicContact CE1-CB 4.1Å; F111-V228 WeakPolarHBondContact O-CG1 3.26Å; F111-F229 PolarHBondContact N-O 2.9Å; F111-F229 PolarHBondContact O-N 3.05Å; F111-A231 HydrophobicContact CE2-CB 4.38Å; F111-L237 HydrophobicContact CE2-CD1 4.3Å; F111-L237 HydrophobicContact CZ-CD1 3.99Å |
| 112 | L | 93.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | trans | -83.2 | 174.7 | 167 | -72 | -178.3 | 0 | 0 | 0 | 111.1 | D114 G115 K116 L118 F141 V226 | L112-D114 WeakPolarHBondContact CB-OD1 3.47Å; L112-D114 PolarHBondContact O-N 3.04Å; L112-G115 PolarHBondContact O-N 2.9Å; L112-K116 HydrophobicContact CB-CB 4.48Å; L112-K116 PolarHBondContact N-O 2.73Å; L112-L118 HydrophobicContact CD2-CD1 4.37Å; L112-L118 HydrophobicContact CG-CD1 4.43Å; L112-F141 HydrophobicContact CD1-CD2 4.24Å; L112-F141 HydrophobicContact CD1-CE2 3.48Å; L112-F141 VanDerWaalsContact CD1-CE2 3.48Å; L112-F141 HydrophobicContact CD1-CZ 4.28Å; L112-F141 HydrophobicContact CG-CE2 4.44Å; L112-V226 HydrophobicContact CD2-CG1 3.82Å | ||
| 113 | E | 89.9 | Confident | 93.4 | Very high | 154 Ų | 154 | 38.6 Ų | 38.6 | 72% | 0.72 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.4 | -179.7 | -168.1 | 170.5 | -173.9 | 0 | 0 | 113.2 | G115 F229 | E113-G115 PolarHBondContact O-N 3.01Å; E113-F229 HydrophobicContact CB-CD2 4.36Å; E113-F229 HydrophobicContact CB-CE2 3.63Å; E113-F229 HydrophobicContact CB-CZ 4.2Å; E113-F229 HydrophobicContact CG-CE2 4.05Å; E113-F229 HydrophobicContact CG-CZ 4.1Å |
| 114 | D | 88.9 | Confident | 93.5 | Very high | 115 Ų | 115 | 39.5 Ų | 39.5 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 3.7 | 176.8 | 57.9 | -8.3 | 0 | 0 | 0 | 113.5 | L112 K116 | L112-D114 WeakPolarHBondContact CB-OD1 3.47Å; L112-D114 PolarHBondContact O-N 3.04Å; D114-K116 PolarHBondContact O-N 3Å; D114-K116 WeakPolarHBondContact OD1-CB 3.45Å; D114-K116 PolarHBondContact OD1-N 2.88Å |
| 115 | G | 90.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 77.6 | 3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L73 F111 L112 E113 | L73-G115 PolarHBondContact N-O 3.1Å; F111-G115 WeakPolarHBondContact CD1-O 3.32Å; L112-G115 PolarHBondContact O-N 2.9Å; E113-G115 PolarHBondContact O-N 3.01Å |
| 116 | K | 91.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 27% | 0.265 | 21% | 0.213 | S | C | . | . | trans | -68.9 | 134 | 179.4 | -172.2 | 175.3 | -179.3 | 176.3 | 0 | 111 | F111 L112 D114 L118 | F111-K116 CarbonylContact C-O 3.6Å; F111-K116 VanDerWaalsContact CA-O 3.29Å; F111-K116 WeakPolarHBondContact CA-O 3.43Å; L112-K116 HydrophobicContact CB-CB 4.48Å; L112-K116 PolarHBondContact N-O 2.73Å; D114-K116 PolarHBondContact O-N 3Å; D114-K116 WeakPolarHBondContact OD1-CB 3.45Å; D114-K116 PolarHBondContact OD1-N 2.88Å; K116-L118 PolarHBondContact O-N 3.45Å | ||
| 117 | H | 93.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 117.7 | 175.8 | 175.9 | 65.7 | 0 | 0 | 0 | 110.6 | D72 V109 F111 S138 | D72-H117 WeakPolarHBondContact OD1-CB 3.45Å; D72-H117 PolarHBondContact OD1-N 2.96Å; V109-H117 WeakPolarHBondContact CG1-CE1 3.35Å; V109-H117 WeakPolarHBondContact CG1-ND1 3.12Å; F111-H117 HydrophobicContact CD1-CB 4.29Å; F111-H117 HydrophobicContact CE1-CB 4.1Å; H117-S138 WeakPolarHBondContact CD2-CB 3.38Å; H117-S138 PolarHBondContact CD2-OG 2.83Å; H117-S138 WeakPolarHBondContact NE2-CB 3.39Å |
| 118 | L | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -47.8 | 179.4 | 178.2 | 64 | 0 | 0 | 0 | 110.7 | I95 L110 L112 K116 L137 S138 F141 V228 | I95-L118 HydrophobicContact CD1-CD2 4.18Å; L110-L118 HydrophobicContact CB-CD2 4.48Å; L110-L118 WeakPolarHBondContact O-CB 3.4Å; L110-L118 PolarHBondContact O-N 2.77Å; L112-L118 HydrophobicContact CD2-CD1 4.37Å; L112-L118 HydrophobicContact CG-CD1 4.43Å; K116-L118 PolarHBondContact O-N 3.45Å; L118-L137 HydrophobicContact CD1-CD2 3.76Å; L118-L137 HydrophobicContact CG-CD2 4.22Å; L118-S138 PolarHBondContact O-N 3.47Å; L118-F141 HydrophobicContact CD1-CD1 3.79Å; L118-F141 HydrophobicContact CD1-CD2 3.81Å; L118-F141 HydrophobicContact CD1-CE1 3.65Å; L118-F141 HydrophobicContact CD1-CE2 3.76Å; L118-F141 HydrophobicContact CD1-CG 3.84Å; L118-F141 HydrophobicContact CD1-CZ 3.64Å; L118-V228 HydrophobicContact CD2-CB 4.41Å; L118-V228 HydrophobicContact CD2-CG1 3.68Å; L118-V228 HydrophobicContact CD2-CG2 3.78Å |
| 119 | G | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.4 | -164.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L110 I136 | L110-G119 PolarHBondContact N-O 2.89Å; G119-I136 CarbonylContact C-O 3.53Å; G119-I136 WeakPolarHBondContact CA-O 3.41Å |
| 120 | E | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.9 | -172.3 | -169.1 | 178.9 | 142.5 | 0 | 0 | 110.8 | Y65 L67 Q68 R107 S108 Y122 V135 I136 | Y65-E120 PolarHBondContact OH-OE1 3.39Å; L67-E120 HydrophobicContact CD2-CB 3.55Å; Q68-E120 PolarHBondContact N-OE2 3.43Å; R107-E120 WeakPolarHBondContact CA-OE1 3.23Å; R107-E120 HydrophobicContact CB-CG 4.45Å; R107-E120 WeakPolarHBondContact CB-OE1 3.29Å; R107-E120 WeakPolarHBondContact CG-OE1 3.5Å; R107-E120 IonicContact NE-OE1 2.82Å; S108-E120 CarbonylContact O-C 3.57Å; S108-E120 WeakPolarHBondContact O-CA 3.33Å; E120-Y122 PolarHBondContact O-N 3.44Å; E120-V135 CarbonylContact O-C 3.53Å; E120-V135 WeakPolarHBondContact O-CA 3.32Å; E120-I136 PolarHBondContact N-O 3.1Å; E120-I136 PolarHBondContact O-N 3.27Å |
| 121 | V | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 117.7 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | E106 R107 S108 L110 Y133 V135 | E106-V121 CarbonylContact C-O 3.57Å; E106-V121 WeakPolarHBondContact CA-O 3.47Å; R107-V121 PolarHBondContact N-O 2.79Å; S108-V121 WeakPolarHBondContact O-CG2 3.03Å; S108-V121 PolarHBondContact O-N 2.58Å; L110-V121 HydrophobicContact CD1-CG2 3.88Å; L110-V121 HydrophobicContact CD2-CG2 4.26Å; L110-V121 HydrophobicContact CG-CG2 3.98Å; V121-Y133 HydrophobicContact CG1-CD1 4.14Å; V121-Y133 HydrophobicContact CG2-CD1 4.5Å; V121-V135 HydrophobicContact CG2-CG2 4.24Å |
| 122 | Y | 95 | Very high | 92.2 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -41.8 | 174.6 | -179.8 | -98.2 | 0 | 0 | 0 | 111.7 | I61 P62 Y65 E106 E120 L134 I136 | I61-Y122 HydrophobicContact CB-CE2 4.49Å; I61-Y122 HydrophobicContact CG1-CD1 4.29Å; I61-Y122 HydrophobicContact CG1-CD2 4.41Å; I61-Y122 HydrophobicContact CG1-CE1 4.13Å; I61-Y122 HydrophobicContact CG1-CE2 4.25Å; I61-Y122 HydrophobicContact CG1-CG 4.41Å; I61-Y122 HydrophobicContact CG2-CD2 4.34Å; I61-Y122 HydrophobicContact CG2-CE2 3.97Å; P62-Y122 WeakPolarHBondContact CD-OH 3.36Å; Y65-Y122 AromaticContact CD2-CD2 3.78Å; Y65-Y122 HydrophobicContact CD2-CD2 3.78Å; Y65-Y122 AromaticContact CD2-CE2 3.66Å; Y65-Y122 HydrophobicContact CD2-CE2 3.66Å; Y65-Y122 AromaticContact CE2-CD2 3.46Å; Y65-Y122 HydrophobicContact CE2-CD2 3.46Å; Y65-Y122 VanDerWaalsContact CE2-CD2 3.46Å; Y65-Y122 AromaticContact CE2-CE2 3.72Å; Y65-Y122 HydrophobicContact CE2-CE2 3.72Å; E106-Y122 WeakPolarHBondContact CG-O 3.03Å; E120-Y122 PolarHBondContact O-N 3.44Å; Y122-L134 HydrophobicContact CD1-CD2 3.79Å; Y122-L134 HydrophobicContact CD1-CG 4.35Å; Y122-L134 HydrophobicContact CE1-CD2 4.46Å; Y122-L134 PolarHBondContact N-O 3.41Å; Y122-I136 HydrophobicContact CD2-CD1 3.43Å; Y122-I136 VanDerWaalsContact CD2-CD1 3.43Å; Y122-I136 HydrophobicContact CD2-CG1 4.39Å; Y122-I136 HydrophobicContact CE2-CD1 4.28Å; Y122-I136 HydrophobicContact CG-CD1 3.85Å; Y122-I136 HydrophobicContact CG-CG1 4.35Å |
| 123 | E | 93.7 | Very high | 92.3 | Very high | 63 Ų | 63 | 52.2 Ų | 52.2 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 142.1 | -178.1 | -172.1 | 177.5 | 173.1 | 0 | 0 | 111.1 | Y133 L134 | E123-Y133 WeakPolarHBondContact O-CA 3.48Å; E123-L134 HydrophobicContact CB-CB 4.23Å; E123-L134 PolarHBondContact N-O 3.5Å; E123-L134 PolarHBondContact O-N 3.37Å |
| 124 | T | 93.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.3 | 174 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | V103 L104 P131 F132 Y133 | V103-T124 HydrophobicContact CG1-CG2 3.81Å; L104-T124 PolarHBondContact O-OG1 2.83Å; T124-P131 HydrophobicContact CG2-CB 3.85Å; T124-F132 WeakPolarHBondContact CA-O 3.32Å; T124-Y133 HydrophobicContact CG2-CD1 3.79Å; T124-Y133 HydrophobicContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact OG1-CD1 3.26Å; T124-Y133 WeakPolarHBondContact OG1-CD1 3.27Å; T124-Y133 WeakPolarHBondContact OG1-CE1 3.21Å |
| 125 | F | 92.8 | Very high | 92.8 | Very high | 80 Ų | 80 | 40 Ų | 40 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 168.3 | -174.1 | 65.3 | -85.5 | 0 | 0 | 0 | 112.9 | V94 F132 L134 | V94-F125 HydrophobicContact CG1-CZ 3.92Å; F125-F132 HydrophobicContact CD1-CB 4.2Å; F125-F132 HydrophobicContact CD2-CB 3.84Å; F125-F132 HydrophobicContact CE1-CB 3.84Å; F125-F132 HydrophobicContact CE2-CB 3.46Å; F125-F132 VanDerWaalsContact CE2-CB 3.46Å; F125-F132 HydrophobicContact CE2-CD2 4.42Å; F125-F132 AromaticContact CE2-CG 4Å; F125-F132 HydrophobicContact CE2-CG 4Å; F125-F132 HydrophobicContact CG-CB 4.21Å; F125-F132 HydrophobicContact CZ-CB 3.46Å; F125-F132 VanDerWaalsContact CZ-CB 3.46Å; F125-F132 HydrophobicContact CZ-CG 4.29Å; F125-F132 PolarHBondContact N-O 3.25Å; F125-F132 PolarHBondContact O-N 3.34Å; F125-L134 HydrophobicContact CE1-CB 4.04Å |
| 126 | G | 92.7 | Very high | 93 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 88.9 | -166.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 127 | P | 90.6 | Very high | 93.1 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | trans | -65.4 | 139.3 | -173.1 | -20.4 | 32.2 | 0 | 0 | 0 | 112.7 | R129 T130 P131 | P127-R129 PolarHBondContact O-N 2.86Å; P127-R129 VanDerWaalsContact O-N 3.11Å; P127-T130 CarbonylContact O-C 3.57Å; P127-T130 PolarHBondContact O-N 2.89Å; P127-P131 WeakPolarHBondContact O-CA 3.29Å | ||
| 128 | V | 84.3 | Confident | 92.9 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.3 | -175.9 | -177.7 | 0 | 0 | 0 | 0 | 113.8 | Y243 | V128-Y243 HydrophobicContact CG1-CD1 3.48Å; V128-Y243 VanDerWaalsContact CG1-CD1 3.48Å; V128-Y243 HydrophobicContact CG1-CD2 3.94Å; V128-Y243 HydrophobicContact CG1-CE1 3.51Å; V128-Y243 HydrophobicContact CG1-CE2 4.01Å; V128-Y243 HydrophobicContact CG1-CG 3.7Å; V128-Y243 HydrophobicContact CG2-CE2 4.33Å |
| 129 | R | 85.5 | Confident | 92.3 | Very high | 216 Ų | 216 | 48.1 Ų | 48.1 | 82% | 0.815 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -27.4 | 179.6 | -65.7 | -172.5 | 176.3 | -167.1 | -1.1 | 113.5 | P127 | P127-R129 PolarHBondContact O-N 2.86Å; P127-R129 VanDerWaalsContact O-N 3.11Å |
| 130 | T | 90.7 | Very high | 91.3 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -142.6 | 67.2 | -173.7 | 56.5 | 0 | 0 | 0 | 0 | 108.7 | P127 | P127-T130 CarbonylContact O-C 3.57Å; P127-T130 PolarHBondContact O-N 2.89Å |
| 131 | P | 94.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | trans | -66.4 | 155.4 | -178.2 | 28.8 | -36.3 | 0 | 0 | 0 | 110.8 | S97 V103 T124 P127 Y133 | S97-P131 VanDerWaalsContact CB-O 3.29Å; S97-P131 WeakPolarHBondContact CB-O 3.46Å; S97-P131 PolarHBondContact N-O 2.77Å; V103-P131 HydrophobicContact CG1-CG 4.32Å; V103-P131 HydrophobicContact CG2-CG 4.27Å; T124-P131 HydrophobicContact CG2-CB 3.85Å; P127-P131 WeakPolarHBondContact O-CA 3.29Å; P131-Y133 HydrophobicContact CB-CE1 4.49Å; P131-Y133 HydrophobicContact CG-CE1 4.38Å; P131-Y133 HydrophobicContact CG-CE2 4.07Å; P131-Y133 VanDerWaalsContact CG-OH 3.32Å; P131-Y133 WeakPolarHBondContact CG-OH 3.31Å | ||
| 132 | F | 95.3 | Very high | 88.6 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 145.6 | 164.2 | -66.1 | -95.7 | 0 | 0 | 0 | 108.9 | V94 I95 R96 T124 F125 | V94-F132 HydrophobicContact CG1-CB 4.4Å; V94-F132 HydrophobicContact CG1-CD1 3.99Å; I95-F132 CarbonylContact O-C 3.45Å; I95-F132 WeakPolarHBondContact O-CA 3.32Å; R96-F132 HydrophobicContact CB-CD1 3.83Å; R96-F132 HydrophobicContact CB-CE1 3.66Å; R96-F132 HydrophobicContact CB-CZ 4.48Å; R96-F132 HydrophobicContact CG-CD1 4.29Å; R96-F132 HydrophobicContact CG-CE1 3.81Å; R96-F132 HydrophobicContact CG-CZ 4.15Å; T124-F132 WeakPolarHBondContact CA-O 3.32Å; F125-F132 HydrophobicContact CD1-CB 4.2Å; F125-F132 HydrophobicContact CD2-CB 3.84Å; F125-F132 HydrophobicContact CE1-CB 3.84Å; F125-F132 HydrophobicContact CE2-CB 3.46Å; F125-F132 VanDerWaalsContact CE2-CB 3.46Å; F125-F132 HydrophobicContact CE2-CD2 4.42Å; F125-F132 AromaticContact CE2-CG 4Å; F125-F132 HydrophobicContact CE2-CG 4Å; F125-F132 HydrophobicContact CG-CB 4.21Å; F125-F132 HydrophobicContact CZ-CB 3.46Å; F125-F132 VanDerWaalsContact CZ-CB 3.46Å; F125-F132 HydrophobicContact CZ-CG 4.29Å; F125-F132 PolarHBondContact N-O 3.25Å; F125-F132 PolarHBondContact O-N 3.34Å |
| 133 | Y | 96 | Very high | 87.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.4 | 177.4 | -55.3 | -78 | 0 | 0 | 0 | 108.8 | L82 V94 I95 L104 V121 E123 T124 P131 | L82-Y133 HydrophobicContact CD1-CE2 3.68Å; L82-Y133 HydrophobicContact CD2-CD2 3.9Å; L82-Y133 HydrophobicContact CD2-CE2 3.8Å; L82-Y133 HydrophobicContact CG-CD2 4.25Å; L82-Y133 HydrophobicContact CG-CE2 3.77Å; V94-Y133 CarbonylContact C-O 3.6Å; V94-Y133 WeakPolarHBondContact CA-O 3.42Å; I95-Y133 HydrophobicContact CB-CD2 4.5Å; I95-Y133 PolarHBondContact N-O 3.27Å; I95-Y133 PolarHBondContact O-N 3.27Å; L104-Y133 HydrophobicContact CB-CE1 3.88Å; L104-Y133 PolarHBondContact N-OH 3.37Å; V121-Y133 HydrophobicContact CG1-CD1 4.14Å; V121-Y133 HydrophobicContact CG2-CD1 4.5Å; E123-Y133 WeakPolarHBondContact O-CA 3.48Å; T124-Y133 HydrophobicContact CG2-CD1 3.79Å; T124-Y133 HydrophobicContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact OG1-CD1 3.26Å; T124-Y133 WeakPolarHBondContact OG1-CD1 3.27Å; T124-Y133 WeakPolarHBondContact OG1-CE1 3.21Å; P131-Y133 HydrophobicContact CB-CE1 4.49Å; P131-Y133 HydrophobicContact CG-CE1 4.38Å; P131-Y133 HydrophobicContact CG-CE2 4.07Å; P131-Y133 VanDerWaalsContact CG-OH 3.32Å; P131-Y133 WeakPolarHBondContact CG-OH 3.31Å |
| 134 | L | 95.5 | Very high | 85.2 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.6 | 165 | -179.9 | 57.3 | 0 | 0 | 0 | 107.6 | Y92 V94 Y122 E123 F125 | Y92-L134 HydrophobicContact CD2-CD1 3.44Å; Y92-L134 VanDerWaalsContact CD2-CD1 3.44Å; Y92-L134 HydrophobicContact CE2-CD1 4.15Å; Y92-L134 HydrophobicContact CG-CD1 4.01Å; V94-L134 HydrophobicContact CG2-CD1 4.27Å; Y122-L134 HydrophobicContact CD1-CD2 3.79Å; Y122-L134 HydrophobicContact CD1-CG 4.35Å; Y122-L134 HydrophobicContact CE1-CD2 4.46Å; Y122-L134 PolarHBondContact N-O 3.41Å; E123-L134 HydrophobicContact CB-CB 4.23Å; E123-L134 PolarHBondContact N-O 3.5Å; E123-L134 PolarHBondContact O-N 3.37Å; F125-L134 HydrophobicContact CE1-CB 4.04Å |
| 135 | V | 95.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.8 | -172.6 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | Y92 V93 I95 L110 E120 V121 | Y92-V135 CarbonylContact C-O 3.59Å; Y92-V135 WeakPolarHBondContact CA-O 3.31Å; Y92-V135 WeakPolarHBondContact CB-O 3.48Å; V93-V135 HydrophobicContact CG2-CB 3.86Å; V93-V135 HydrophobicContact CG2-CG1 4.32Å; V93-V135 PolarHBondContact N-O 2.83Å; V93-V135 PolarHBondContact O-N 3.16Å; I95-V135 HydrophobicContact CD1-CB 4.41Å; I95-V135 HydrophobicContact CD1-CG2 3.66Å; I95-V135 HydrophobicContact CG1-CG2 4.16Å; L110-V135 HydrophobicContact CD1-CG1 4.33Å; L110-V135 HydrophobicContact CD1-CG2 3.6Å; E120-V135 CarbonylContact O-C 3.53Å; E120-V135 WeakPolarHBondContact O-CA 3.32Å; V121-V135 HydrophobicContact CG2-CG2 4.24Å |
| 136 | I | 93.9 | Very high | 80.8 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125.3 | 173.1 | -62.8 | 168.8 | 0 | 0 | 0 | 107.3 | I61 Y65 L67 G119 E120 Y122 | I61-I136 HydrophobicContact CD1-CD1 3.98Å; I61-I136 HydrophobicContact CD1-CG1 3.73Å; I61-I136 HydrophobicContact CG1-CD1 4.23Å; I61-I136 HydrophobicContact CG1-CG1 4.47Å; I61-I136 HydrophobicContact CG2-CD1 3.64Å; Y65-I136 HydrophobicContact CD1-CD1 3.49Å; Y65-I136 VanDerWaalsContact CD1-CD1 3.49Å; Y65-I136 HydrophobicContact CD2-CD1 4.26Å; Y65-I136 HydrophobicContact CE1-CD1 3.58Å; Y65-I136 HydrophobicContact CE2-CD1 4.31Å; Y65-I136 HydrophobicContact CG-CD1 3.86Å; L67-I136 HydrophobicContact CD1-CG2 4.04Å; L67-I136 HydrophobicContact CD2-CB 4.02Å; L67-I136 HydrophobicContact CD2-CG2 3.86Å; L67-I136 HydrophobicContact CG-CG2 4.22Å; G119-I136 CarbonylContact C-O 3.53Å; G119-I136 WeakPolarHBondContact CA-O 3.41Å; E120-I136 PolarHBondContact N-O 3.1Å; E120-I136 PolarHBondContact O-N 3.27Å; Y122-I136 HydrophobicContact CD2-CD1 3.43Å; Y122-I136 VanDerWaalsContact CD2-CD1 3.43Å; Y122-I136 HydrophobicContact CD2-CG1 4.39Å; Y122-I136 HydrophobicContact CE2-CD1 4.28Å; Y122-I136 HydrophobicContact CG-CD1 3.85Å; Y122-I136 HydrophobicContact CG-CG1 4.35Å |
| 137 | L | 92.7 | Very high | 78.1 | Confident | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.3 | -178.2 | -65.9 | 175.6 | 0 | 0 | 0 | 110.5 | L67 K91 V93 L118 F141 V143 | L67-L137 WeakPolarHBondContact CD1-O 3.33Å; K91-L137 PolarHBondContact O-N 3.33Å; V93-L137 HydrophobicContact CB-CD2 4.48Å; V93-L137 HydrophobicContact CG1-CD1 4.02Å; V93-L137 HydrophobicContact CG1-CD2 3.79Å; V93-L137 HydrophobicContact CG1-CG 4.12Å; V93-L137 HydrophobicContact CG2-CD2 3.91Å; L118-L137 HydrophobicContact CD1-CD2 3.76Å; L118-L137 HydrophobicContact CG-CD2 4.22Å; L137-F141 HydrophobicContact CB-CD1 4.4Å; L137-F141 HydrophobicContact CD1-CD1 4.03Å; L137-F141 HydrophobicContact CD1-CE1 4.4Å; L137-F141 HydrophobicContact CD2-CD1 3.57Å; L137-F141 HydrophobicContact CD2-CE1 3.96Å; L137-F141 HydrophobicContact CD2-CG 4.41Å; L137-F141 HydrophobicContact CG-CD1 4.2Å; L137-V143 HydrophobicContact CD1-CG2 3.57Å |
| 138 | S | 90.2 | Very high | 75.6 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.1 | 168.1 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | H117 L118 S140 F141 | H117-S138 WeakPolarHBondContact CD2-CB 3.38Å; H117-S138 PolarHBondContact CD2-OG 2.83Å; H117-S138 WeakPolarHBondContact NE2-CB 3.39Å; L118-S138 PolarHBondContact O-N 3.47Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 PolarHBondContact OG-N 3.11Å; S138-S140 VanDerWaalsContact OG-N 3.15Å; S138-S140 PolarHBondContact OG-OG 2.93Å; S138-F141 WeakPolarHBondContact O-CB 3.19Å; S138-F141 PolarHBondContact O-N 3.27Å |
| 139 | E | 80.4 | Confident | 73.6 | Confident | 196 Ų | 196 | 64.5 Ų | 64.5 | 92% | 0.916 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.6 | 171 | -60.8 | -173.3 | 168.3 | 0 | 0 | 112.5 | F141 | E139-F141 VanDerWaalsContact C-N 3.29Š|
| 140 | S | 73.5 | Confident | 71.4 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -17.9 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | S138 C142 | S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 PolarHBondContact OG-N 3.11Å; S138-S140 VanDerWaalsContact OG-N 3.15Å; S138-S140 PolarHBondContact OG-OG 2.93Å; S140-C142 PolarHBondContact O-N 3.07Å; S140-C142 VanDerWaalsContact O-N 3.15Å |
| 141 | F | 76.7 | Confident | 69.1 | Low | 21 Ų | 21 | 70 Ų | 70 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | trans | -84.1 | 92.9 | 177.6 | -172 | -103 | 0 | 0 | 0 | 110.4 | L112 L118 L137 S138 E139 V143 | L112-F141 HydrophobicContact CD1-CD2 4.24Å; L112-F141 HydrophobicContact CD1-CE2 3.48Å; L112-F141 VanDerWaalsContact CD1-CE2 3.48Å; L112-F141 HydrophobicContact CD1-CZ 4.28Å; L112-F141 HydrophobicContact CG-CE2 4.44Å; L118-F141 HydrophobicContact CD1-CD1 3.79Å; L118-F141 HydrophobicContact CD1-CD2 3.81Å; L118-F141 HydrophobicContact CD1-CE1 3.65Å; L118-F141 HydrophobicContact CD1-CE2 3.76Å; L118-F141 HydrophobicContact CD1-CG 3.84Å; L118-F141 HydrophobicContact CD1-CZ 3.64Å; L137-F141 HydrophobicContact CB-CD1 4.4Å; L137-F141 HydrophobicContact CD1-CD1 4.03Å; L137-F141 HydrophobicContact CD1-CE1 4.4Å; L137-F141 HydrophobicContact CD2-CD1 3.57Å; L137-F141 HydrophobicContact CD2-CE1 3.96Å; L137-F141 HydrophobicContact CD2-CG 4.41Å; L137-F141 HydrophobicContact CG-CD1 4.2Å; S138-F141 WeakPolarHBondContact O-CB 3.19Å; S138-F141 PolarHBondContact O-N 3.27Å; E139-F141 VanDerWaalsContact C-N 3.29Å; F141-V143 HydrophobicContact CD1-CG2 4.06Å; F141-V143 HydrophobicContact CE1-CB 4.44Å; F141-V143 HydrophobicContact CE1-CG2 3.65Å; F141-V143 PolarHBondContact O-N 2.84Å; F141-V143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | C | 59 | Low | 66.7 | Low | 45 Ų | 45 | 74.9 Ų | 74.9 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | trans | -73.9 | 97.9 | 165.3 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | S140 P144 K145 | S140-C142 PolarHBondContact O-N 3.07Å; S140-C142 VanDerWaalsContact O-N 3.15Å; C142-P144 VanDerWaalsContact O-N 3.15Å; C142-K145 WeakPolarHBondContact SG-CD 3.34Å; C142-K145 VanDerWaalsContact SG-CE 3.55Å; C142-K145 WeakPolarHBondContact SG-CG 3.27Å | ||
| 143 | V | 62.6 | Low | 63.8 | Low | 27 Ų | 27 | 75 Ų | 75 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | trans | -43.7 | 125.3 | 151.8 | 165.3 | 0 | 0 | 0 | 0 | 105.4 | V88 L137 F141 K145 V219 L223 | V88-V143 HydrophobicContact CG1-CG1 4.43Å; V88-V143 HydrophobicContact CG1-CG2 4.28Å; L137-V143 HydrophobicContact CD1-CG2 3.57Å; F141-V143 HydrophobicContact CD1-CG2 4.06Å; F141-V143 HydrophobicContact CE1-CB 4.44Å; F141-V143 HydrophobicContact CE1-CG2 3.65Å; F141-V143 PolarHBondContact O-N 2.84Å; F141-V143 VanDerWaalsContact O-N 3.1Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 VanDerWaalsContact O-CA 3.25Å; V143-K145 WeakPolarHBondContact O-CA 3.17Å; V143-K145 PolarHBondContact O-N 3.36Å; V143-V219 HydrophobicContact CG1-CG1 3.54Å; V143-L223 HydrophobicContact CB-CD1 4.12Å; V143-L223 HydrophobicContact CG1-CD1 3.6Å; V143-L223 HydrophobicContact CG2-CD1 3.95Å | ||
| 144 | P | 53.9 | Low | 60.8 | Low | 69 Ų | 69 | 81 Ų | 81 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -45.2 | 102.1 | -176.6 | -31 | 35.8 | 0 | 0 | 0 | 108.2 | C142 L146 V219 L223 | C142-P144 VanDerWaalsContact O-N 3.15Å; P144-L146 PolarHBondContact O-N 2.92Å; P144-V219 WeakPolarHBondContact O-CG1 3.09Å; P144-V219 WeakPolarHBondContact O-CG2 3.43Å; P144-L223 HydrophobicContact CG-CD2 4.29Å |
| 145 | K | 46 | Very low | 58 | Low | 122 Ų | 122 | 87.8 Ų | 87.8 | 53% | 0.53 | 46% | 0.462 | S | S | . | . | trans | -64.1 | 145 | -163.8 | -89.7 | 167.4 | -172.7 | 178.5 | 0 | 105.1 | C142 V143 R147 | C142-K145 WeakPolarHBondContact SG-CD 3.34Å; C142-K145 VanDerWaalsContact SG-CE 3.55Å; C142-K145 WeakPolarHBondContact SG-CG 3.27Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 VanDerWaalsContact O-CA 3.25Å; V143-K145 WeakPolarHBondContact O-CA 3.17Å; V143-K145 PolarHBondContact O-N 3.36Å; K145-R147 HydrophobicContact CB-CB 4.08Å; K145-R147 HydrophobicContact CB-CG 3.71Å; K145-R147 HydrophobicContact CD-CG 4.26Å; K145-R147 PolarHBondContact O-N 2.83Å | ||
| 146 | L | 47.4 | Very low | 55 | Low | 39 Ų | 39 | 94.6 Ų | 94.6 | 20% | 0.204 | 50% | 0.499 | C | S | . | . | trans | -60.1 | 63 | 144.7 | -63.5 | 173 | 0 | 0 | 0 | 109.5 | P144 N148 I211 E215 K216 V219 | P144-L146 PolarHBondContact O-N 2.92Å; L146-N148 PolarHBondContact O-N 2.97Å; L146-I211 HydrophobicContact CB-CG2 3.31Å; L146-I211 HydrophobicContact CD1-CB 4.16Å; L146-I211 HydrophobicContact CD1-CG2 3.32Å; L146-I211 HydrophobicContact CG-CG2 3.92Å; L146-E215 HydrophobicContact CD1-CB 3.99Å; L146-E215 VanDerWaalsContact CD2-C 3.44Å; L146-E215 HydrophobicContact CD2-CB 3.29Å; L146-E215 HydrophobicContact CD2-CG 3.5Å; L146-E215 WeakPolarHBondContact CD2-O 3.35Å; L146-E215 HydrophobicContact CG-CB 4.19Å; L146-K216 HydrophobicContact CD1-CB 3.98Å; L146-K216 HydrophobicContact CD1-CG 3.26Å; L146-K216 VanDerWaalsContact CD1-N 3.28Å; L146-V219 HydrophobicContact CD2-CG2 3.52Å; L146-V219 HydrophobicContact CG-CG2 3.97Å | ||
| 147 | R | 37.6 | Very low | 51.8 | Low | 150 Ų | 150 | 100.4 Ų | 100.4 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | trans | -83 | 103.5 | 165.6 | -97.2 | 176 | 175.4 | 146.2 | -5.2 | 103.5 | K145 D149 | K145-R147 HydrophobicContact CB-CB 4.08Å; K145-R147 HydrophobicContact CB-CG 3.71Å; K145-R147 HydrophobicContact CD-CG 4.26Å; K145-R147 PolarHBondContact O-N 2.83Å; R147-D149 PolarHBondContact O-N 2.86Å | ||
| 148 | N | 37.6 | Very low | 48.8 | Very low | 113 Ų | 113 | 105.1 Ų | 105.1 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | trans | -64.5 | 67.4 | 160.1 | -83.7 | -5.2 | 0 | 0 | 0 | 108.8 | L146 R150 | L146-N148 PolarHBondContact O-N 2.97Å; N148-R150 PolarHBondContact O-N 3.31Å; N148-R150 VanDerWaalsContact O-N 3.08Å | ||
| 149 | D | 41.5 | Very low | 45.8 | Very low | 129 Ų | 129 | 112 Ų | 112 | 69% | 0.69 | 60% | 0.603 | S | S | * | * | trans | -87.9 | 59.8 | 168.7 | -64.7 | -15.5 | 0 | 0 | 0 | 107.4 | R147 | R147-D149 PolarHBondContact O-N 2.86Š| ||
| 150 | R | 39.7 | Very low | 43.5 | Very low | 224 Ų | 224 | 108 Ų | 108 | 85% | 0.845 | 60% | 0.597 | S | S | * | * | trans | -89.9 | 87.2 | 154.8 | -73.5 | -174 | -174.3 | 178.1 | 3.6 | 106.1 | N148 | N148-R150 PolarHBondContact O-N 3.31Å; N148-R150 VanDerWaalsContact O-N 3.08Å | ||
| 151 | I | 42.5 | Very low | 41.5 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 82% | 0.821 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -177.4 | 122.4 | 141 | -83.4 | 141.3 | 0 | 0 | 0 | 106.8 | ||
| 152 | S | 42.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 88.3 | 101.3 | 167 | 79.7 | 0 | 0 | 0 | 0 | 119.6 | ||
| 153 | G | 35.3 | Very low | 38.3 | Very low | 52 Ų | 52 | 121.7 Ų | 121.7 | 54% | 0.536 | 67% | 0.668 | S | S | . | * | trans | 84.2 | 134.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | H155 | G153-H155 PolarHBondContact O-N 3.29Š| ||
| 154 | P | 33.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | trans | -74.5 | 96.8 | 170.3 | 32.7 | -28.4 | 0 | 0 | 0 | 107.9 | ||||
| 155 | H | 37.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -103.9 | 103.2 | 167.4 | -59.9 | -67.2 | 0 | 0 | 0 | 107.7 | G153 C157 | G153-H155 PolarHBondContact O-N 3.29Å; H155-C157 PolarHBondContact O-N 2.73Å; H155-C157 VanDerWaalsContact O-N 3.14Å | ||
| 156 | N | 30.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | -45.2 | 116 | 174.6 | -63.5 | -38.1 | 0 | 0 | 0 | 110.3 | T158 | N156-T158 PolarHBondContact O-N 2.74Š| ||
| 157 | C | 28.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | -74 | 81.2 | 162.3 | -76.3 | 0 | 0 | 0 | 0 | 107.7 | H155 L159 | H155-C157 PolarHBondContact O-N 2.73Å; H155-C157 VanDerWaalsContact O-N 3.14Å; C157-L159 PolarHBondContact O-N 2.75Å | ||
| 158 | T | 27.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 117.1 | 170 | -58.5 | 0 | 0 | 0 | 0 | 108.2 | N156 S160 | N156-T158 PolarHBondContact O-N 2.74Å; T158-S160 PolarHBondContact O-N 2.97Å | ||
| 159 | L | 27.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -39.4 | 97.5 | 163.3 | -158.8 | 77.3 | 0 | 0 | 0 | 110.6 | C157 K161 | C157-L159 PolarHBondContact O-N 2.75Å; L159-K161 PolarHBondContact O-N 2.97Å | ||
| 160 | S | 31.6 | Very low | 35.7 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -79.3 | 95 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | T158 S162 | T158-S160 PolarHBondContact O-N 2.97Å; S160-S162 PolarHBondContact O-N 2.85Å | ||
| 161 | K | 32.2 | Very low | 35.8 | Very low | 184 Ų | 184 | 138 Ų | 138 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -45.9 | 116 | 157.6 | -107.6 | 170.8 | 173.6 | 174.1 | 0 | 109.6 | L159 T163 | L159-K161 PolarHBondContact O-N 2.97Å; K161-T163 PolarHBondContact O-N 2.73Å | ||
| 162 | S | 35.1 | Very low | 35.6 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 101.5 | 160.1 | 46 | 0 | 0 | 0 | 0 | 108.6 | S160 | S160-S162 PolarHBondContact O-N 2.85Š| ||
| 163 | T | 33.2 | Very low | 35.4 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | -94.8 | 113 | 166.5 | 39.7 | 0 | 0 | 0 | 0 | 109.9 | K161 | K161-T163 PolarHBondContact O-N 2.73Š| ||
| 164 | N | 33.3 | Very low | 35.8 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 16.8 | 120.5 | 142.9 | -58.4 | -33.3 | 0 | 0 | 0 | 118.2 | ||||
| 165 | Y | 33.3 | Very low | 36.2 | Very low | 243 Ų | 243 | 141 Ų | 141 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 105.6 | 147.1 | -99.8 | -88.8 | 0 | 0 | 0 | 108.2 | ||||
| 166 | S | 43.1 | Very low | 36.5 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -92.4 | 113.9 | 168 | 41.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 167 | E | 36.2 | Very low | 37.1 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | 38.8 | 114.8 | 125.3 | -155 | 161.9 | -166.2 | 0 | 0 | 118.4 | |||||
| 168 | S | 45.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | trans | -144.1 | 131.6 | 149.1 | -84.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 169 | L | 43.4 | Very low | 38.4 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -72 | 148.5 | -164.6 | -66.7 | 147 | 0 | 0 | 0 | 114.7 | ||||
| 170 | E | 37.3 | Very low | 39 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -42 | -175.8 | 155.8 | -107.3 | -172.5 | 167.3 | 0 | 0 | 116.6 | ||||
| 171 | P | 42.2 | Very low | 39.4 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 59% | 0.591 | 77% | 0.767 | S | S | * | * | cis | -142.7 | -174.9 | -11.3 | 25.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 172 | Q | 38.4 | Very low | 40 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 119 | 91.1 | 143.6 | -57 | -171.3 | 38.8 | 0 | 0 | 119.6 | ||||
| 173 | T | 37.8 | Very low | 40.4 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | 40 | 167.5 | 116.2 | 66.4 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 174 | P | 45.1 | Very low | 40.9 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | -138.2 | 177.5 | -67.9 | 40.4 | -21.4 | 0 | 0 | 0 | 112.7 | |||||
| 175 | S | 41.8 | Very low | 41.5 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 160.5 | 128.2 | 138.1 | 46.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 176 | E | 42.3 | Very low | 42 | Very low | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | 60.6 | 126.4 | 134.2 | -58.7 | 177.3 | -168.2 | 0 | 0 | 119.1 | ||||
| 177 | S | 43.3 | Very low | 42.1 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 176.3 | 135 | 52 | 47.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 178 | V | 45.4 | Very low | 42.6 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | 93.5 | 103.5 | 99.5 | 172.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 179 | T | 38.3 | Very low | 42.6 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | 81.6 | 129.7 | 130.6 | 63.9 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 180 | N | 39.5 | Very low | 42.5 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 103.4 | 107.5 | 120.8 | -77.3 | -2.6 | 0 | 0 | 0 | 122.3 | |||||
| 181 | T | 40.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | 64.4 | 136.5 | 123.7 | 54.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 182 | Q | 46.1 | Very low | 42.8 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | 136.8 | 106.2 | 117.1 | -149 | 154.8 | 21.3 | 0 | 0 | 112.1 | |||||
| 183 | L | 42.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | 65 | 132.5 | 109.7 | -62.2 | 172.8 | 0 | 0 | 0 | 113.8 | |||||
| 184 | D | 44.2 | Very low | 42.9 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | -179.8 | 141.9 | 68.3 | -98.2 | -43.6 | 0 | 0 | 0 | 112 | |||||
| 185 | N | 46.3 | Very low | 42.7 | Very low | 101 Ų | 101 | 131 Ų | 131 | 54% | 0.54 | 73% | 0.731 | S | S | . | * | 64.7 | 150.5 | 128.9 | -70 | -22.3 | 0 | 0 | 0 | 123.6 | |||||
| 186 | Y | 43.4 | Very low | 42.5 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | cis | -166.1 | 146.2 | 5.4 | -101.6 | -49.6 | 0 | 0 | 0 | 110.3 | ||||
| 187 | N | 43.9 | Very low | 42 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | 45.6 | 146.9 | 133.7 | -60.3 | -20 | 0 | 0 | 0 | 122 | ||||
| 188 | S | 46.4 | Very low | 41.9 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | cis | -175 | 176.3 | 15.5 | -124.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 189 | P | 46.2 | Very low | 41.5 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | -112.6 | -165.4 | -150.7 | 43.9 | -37.6 | 0 | 0 | 0 | 117.4 | ||||
| 190 | N | 40.9 | Very low | 41.3 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 100 | 142.2 | 169.1 | -56.2 | -13.3 | 0 | 0 | 0 | 114.6 | ||||
| 191 | D | 40.9 | Very low | 40.9 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | cis | -169.3 | 166.9 | -1.8 | -118.3 | -37.7 | 0 | 0 | 0 | 108.5 | ||||
| 192 | S | 46 | Very low | 40.5 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 78.3 | 103.2 | 154.2 | 50.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 193 | N | 34.4 | Very low | 39.7 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | 37.1 | 114.5 | 124.3 | -88.3 | -15.4 | 0 | 0 | 0 | 119.8 | |||||
| 194 | S | 44.2 | Very low | 39.2 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | 175.5 | 121 | 111.2 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 195 | Q | 39.3 | Very low | 38.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | 25.3 | 107.1 | 143.8 | -63.8 | 175.9 | -51 | 0 | 0 | 117.3 | ||||
| 196 | N | 37.4 | Very low | 38.2 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | trans | -156.7 | 111.2 | 131.8 | -94.9 | -37.3 | 0 | 0 | 0 | 109.9 | S198 | N196-S198 PolarHBondContact O-N 2.98Š| ||
| 197 | R | 33.4 | Very low | 37.8 | Very low | 211 Ų | 211 | 136.2 Ų | 136.2 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -75.1 | 95.4 | 175.1 | -162.4 | -172.4 | -156.9 | -134.5 | 7.4 | 106.5 | E199 | R197-E199 VanDerWaalsContact C-N 3.3Å; R197-E199 IonicContact CZ-OE1 3.27Å; R197-E199 IonicContact NH1-OE1 3.68Å; R197-E199 PolarHBondContact NH1-OE1 3.14Å; R197-E199 PolarHBondContact O-N 3.11Å; R197-E199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | S | 41.4 | Very low | 37.9 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -79.6 | 87 | 169.7 | 57.3 | 0 | 0 | 0 | 0 | 108.4 | N196 I200 | N196-S198 PolarHBondContact O-N 2.98Å; S198-I200 PolarHBondContact O-N 3.01Å; S198-I200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | E | 35.8 | Very low | 37.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | trans | -57.6 | 106.4 | 157.9 | -74.3 | 166.8 | -179.7 | 0 | 0 | 107.4 | R197 E201 | R197-E199 VanDerWaalsContact C-N 3.3Å; R197-E199 IonicContact CZ-OE1 3.27Å; R197-E199 IonicContact NH1-OE1 3.68Å; R197-E199 PolarHBondContact NH1-OE1 3.14Å; R197-E199 PolarHBondContact O-N 3.11Å; R197-E199 VanDerWaalsContact O-N 3.09Å; E199-E201 PolarHBondContact O-N 3.13Å | ||
| 200 | I | 34.9 | Very low | 37.7 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -79.5 | 79.4 | 162.8 | -58.6 | 176.7 | 0 | 0 | 0 | 105.2 | S198 I202 | S198-I200 PolarHBondContact O-N 3.01Å; S198-I200 VanDerWaalsContact O-N 3.13Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 HydrophobicContact CG2-CD1 4.49Å; I200-I202 HydrophobicContact CG2-CG1 3.82Å; I200-I202 PolarHBondContact O-N 2.68Å | ||
| 201 | E | 30.5 | Very low | 38.2 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -63.4 | 96.4 | 158.7 | -96.5 | -173.1 | 151.6 | 0 | 0 | 107.2 | E199 S203 | E199-E201 PolarHBondContact O-N 3.13Å; E201-S203 PolarHBondContact O-N 2.77Å | ||
| 202 | I | 31.1 | Very low | 39 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | -75.7 | 86.6 | 159.5 | -52 | 179.8 | 0 | 0 | 0 | 105.4 | I200 I204 | I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 HydrophobicContact CG2-CD1 4.49Å; I200-I202 HydrophobicContact CG2-CG1 3.82Å; I200-I202 PolarHBondContact O-N 2.68Å; I202-I204 HydrophobicContact CG2-CG1 3.92Å; I202-I204 PolarHBondContact O-N 3.15Å | ||
| 203 | S | 29.8 | Very low | 39.5 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | trans | -64.4 | 89.2 | 166 | 55.8 | 0 | 0 | 0 | 0 | 108.2 | E201 T205 | E201-S203 PolarHBondContact O-N 2.77Å; S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.28Å | ||
| 204 | I | 33.6 | Very low | 40.8 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 68% | 0.677 | 69% | 0.69 | S | S | * | * | trans | -71.1 | 94.1 | 164.4 | -57.3 | 177.7 | 0 | 0 | 0 | 105.3 | I202 D206 | I202-I204 HydrophobicContact CG2-CG1 3.92Å; I202-I204 PolarHBondContact O-N 3.15Å; I204-D206 PolarHBondContact O-N 3.24Å | ||
| 205 | T | 35.3 | Very low | 41.6 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | trans | -66.3 | 102.3 | 168.3 | 50.3 | 0 | 0 | 0 | 0 | 107.8 | S203 N207 | S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.28Å; T205-N207 VanDerWaalsContact C-N 3.26Å; T205-N207 PolarHBondContact O-N 2.78Å | ||
| 206 | D | 34.1 | Very low | 42.6 | Very low | 125 Ų | 125 | 121 Ų | 121 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | trans | -63.5 | 83.9 | 171 | -77.1 | -32.5 | 0 | 0 | 0 | 110.4 | I204 | I204-D206 PolarHBondContact O-N 3.24Š| ||
| 207 | N | 35.3 | Very low | 44 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 84% | 0.84 | 62% | 0.622 | S | S | * | * | trans | -99.3 | 33 | 171.5 | -101.5 | -7.7 | 0 | 0 | 0 | 111.9 | T205 | T205-N207 VanDerWaalsContact C-N 3.26Å; T205-N207 PolarHBondContact O-N 2.78Å | ||
| 208 | S | 45.8 | Very low | 45.6 | Very low | 75 Ų | 75 | 117 Ų | 117 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | trans | -99.4 | 14.5 | -176.7 | 59.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 209 | N | 44.6 | Very low | 46.7 | Very low | 153 Ų | 153 | 113 Ų | 113 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | trans | -98 | 20.3 | -170.2 | -76.4 | -17.3 | 0 | 0 | 0 | 116.3 | ||||
| 210 | A | 43.7 | Very low | 48.3 | Very low | 99 Ų | 99 | 109 Ų | 109 | 82% | 0.818 | 57% | 0.566 | S | S | * | * | trans | -121.6 | 31.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N212 | A210-N212 PolarHBondContact O-N 3.27Š| ||
| 211 | I | 51 | Low | 50 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | trans | -74 | 117.6 | 170.3 | -23.8 | 179.1 | 0 | 0 | 0 | 108.4 | L146 Y213 | L146-I211 HydrophobicContact CB-CG2 3.31Å; L146-I211 HydrophobicContact CD1-CB 4.16Å; L146-I211 HydrophobicContact CD1-CG2 3.32Å; L146-I211 HydrophobicContact CG-CG2 3.92Å; I211-Y213 PolarHBondContact O-N 2.78Å | ||
| 212 | N | 57.6 | Low | 52.2 | Low | 74 Ų | 74 | 101.6 Ų | 101.6 | 40% | 0.396 | 55% | 0.546 | S | S | . | . | trans | -53.9 | 126.8 | -171.6 | 175.2 | 1.5 | 0 | 0 | 0 | 111 | A210 E214 E215 K216 | A210-N212 PolarHBondContact O-N 3.27Å; N212-E214 PolarHBondContact O-N 3.33Å; N212-E214 VanDerWaalsContact O-N 3.1Å; N212-E214 WeakPolarHBondContact OD1-CB 3.39Å; N212-E214 PolarHBondContact OD1-N 3.27Å; N212-E215 HydrophobicContact CB-CB 4.09Å; N212-E215 WeakPolarHBondContact O-CA 3.41Å; N212-E215 VanDerWaalsContact O-CB 3.23Å; N212-E215 WeakPolarHBondContact O-CB 3.15Å; N212-E215 PolarHBondContact O-N 3.23Å; N212-K216 PolarHBondContact O-N 3.16Å; N212-K216 VanDerWaalsContact O-N 3.07Å | ||
| 213 | Y | 56.7 | Low | 54.6 | Low | 166 Ų | 166 | 96 Ų | 96 | 65% | 0.651 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.7 | -32.5 | -179.5 | -154.1 | -86.7 | 0 | 0 | 0 | 112.4 | I211 R217 | I211-Y213 PolarHBondContact O-N 2.78Å; Y213-R217 HydrophobicContact CD1-CG 4.35Å; Y213-R217 WeakPolarHBondContact O-CG 3.09Å; Y213-R217 PolarHBondContact O-N 2.78Å |
| 214 | E | 61.6 | Low | 57 | Low | 120 Ų | 120 | 96.1 Ų | 96.1 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.7 | -37.7 | 176.2 | -65.4 | -173 | 156.1 | 0 | 0 | 112.9 | N212 R217 K218 | N212-E214 PolarHBondContact O-N 3.33Å; N212-E214 VanDerWaalsContact O-N 3.1Å; N212-E214 WeakPolarHBondContact OD1-CB 3.39Å; N212-E214 PolarHBondContact OD1-N 3.27Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 2.9Å; E214-K218 WeakPolarHBondContact O-CG 3.3Å; E214-K218 PolarHBondContact O-N 3.05Å |
| 215 | E | 61.4 | Low | 59.5 | Low | 52 Ų | 52 | 96.6 Ų | 96.6 | 24% | 0.243 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 178.5 | -115.7 | 172.5 | -143.7 | 0 | 0 | 108.9 | L146 N212 R217 K218 V219 | L146-E215 HydrophobicContact CD1-CB 3.99Å; L146-E215 VanDerWaalsContact CD2-C 3.44Å; L146-E215 HydrophobicContact CD2-CB 3.29Å; L146-E215 HydrophobicContact CD2-CG 3.5Å; L146-E215 WeakPolarHBondContact CD2-O 3.35Å; L146-E215 HydrophobicContact CG-CB 4.19Å; N212-E215 HydrophobicContact CB-CB 4.09Å; N212-E215 WeakPolarHBondContact O-CA 3.41Å; N212-E215 VanDerWaalsContact O-CB 3.23Å; N212-E215 WeakPolarHBondContact O-CB 3.15Å; N212-E215 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact C-N 3.26Å; E215-R217 PolarHBondContact O-N 2.89Å; E215-K218 PolarHBondContact O-N 2.82Å; E215-V219 PolarHBondContact O-N 2.86Å |
| 216 | K | 60.2 | Low | 62.2 | Low | 54 Ų | 54 | 93.7 Ų | 93.7 | 24% | 0.235 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -55.1 | -43.9 | 171 | -74.8 | -167.6 | 177 | -157.6 | 0 | 111.1 | D90 L146 N212 K218 N220 | D90-K216 IonicContact OD1-NZ 3.16Å; D90-K216 PolarHBondContact OD1-NZ 2.82Å; D90-K216 IonicContact OD2-NZ 2.84Å; D90-K216 PolarHBondContact OD2-NZ 3.27Å; L146-K216 HydrophobicContact CD1-CB 3.98Å; L146-K216 HydrophobicContact CD1-CG 3.26Å; L146-K216 VanDerWaalsContact CD1-N 3.28Å; N212-K216 PolarHBondContact O-N 3.16Å; N212-K216 VanDerWaalsContact O-N 3.07Å; K216-K218 PolarHBondContact O-N 2.54Å; K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.48Å; K216-N220 PolarHBondContact O-ND2 3.49Å; K216-N220 PolarHBondContact O-OD1 3.07Å |
| 217 | R | 65.6 | Low | 65.1 | Low | 158 Ų | 158 | 89.4 Ų | 89.4 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 175.8 | -79.3 | -178.9 | 171.3 | 177 | 0.5 | 113.2 | Y213 E214 E215 S221 | Y213-R217 HydrophobicContact CD1-CG 4.35Å; Y213-R217 WeakPolarHBondContact O-CG 3.09Å; Y213-R217 PolarHBondContact O-N 2.78Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 2.9Å; E215-R217 VanDerWaalsContact C-N 3.26Å; E215-R217 PolarHBondContact O-N 2.89Å; R217-S221 VanDerWaalsContact O-CB 3.3Å; R217-S221 WeakPolarHBondContact O-CB 3.19Å; R217-S221 PolarHBondContact O-N 3.25Å; R217-S221 PolarHBondContact O-OG 3.42Å |
| 218 | K | 67.2 | Low | 67.9 | Low | 140 Ų | 140 | 82 Ų | 82 | 61% | 0.609 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.6 | -48 | 178.9 | -74.1 | 171.4 | -175.3 | 173.8 | 0 | 111.6 | E214 E215 K216 S221 S222 | E214-K218 WeakPolarHBondContact O-CG 3.3Å; E214-K218 PolarHBondContact O-N 3.05Å; E215-K218 PolarHBondContact O-N 2.82Å; K216-K218 PolarHBondContact O-N 2.54Å; K218-S221 WeakPolarHBondContact O-CB 3.41Å; K218-S221 PolarHBondContact O-N 2.95Å; K218-S221 VanDerWaalsContact O-N 3.1Å; K218-S222 PolarHBondContact O-N 2.67Å |
| 219 | V | 65.2 | Low | 70.3 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V143 P144 L146 E215 S221 S222 L223 | V143-V219 HydrophobicContact CG1-CG1 3.54Å; P144-V219 WeakPolarHBondContact O-CG1 3.09Å; P144-V219 WeakPolarHBondContact O-CG2 3.43Å; L146-V219 HydrophobicContact CD2-CG2 3.52Å; L146-V219 HydrophobicContact CG-CG2 3.97Å; E215-V219 PolarHBondContact O-N 2.86Å; V219-S221 PolarHBondContact O-N 3.34Å; V219-S222 PolarHBondContact O-N 2.82Å; V219-L223 PolarHBondContact O-N 2.69Å |
| 220 | N | 68.8 | Low | 72.7 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.3 | -31.9 | 175.4 | -69.3 | -5.8 | 0 | 0 | 0 | 111.6 | V88 K216 K224 | V88-N220 HydrophobicContact CB-CB 4.3Å; V88-N220 WeakPolarHBondContact CG1-OD1 3.37Å; V88-N220 PolarHBondContact O-ND2 3.46Å; K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.48Å; K216-N220 PolarHBondContact O-ND2 3.49Å; K216-N220 PolarHBondContact O-OD1 3.07Å; N220-K224 WeakPolarHBondContact O-CG 3.42Å; N220-K224 PolarHBondContact O-N 3.45Å; N220-K224 VanDerWaalsContact O-N 3.16Å |
| 221 | S | 71.6 | Confident | 75.1 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.9 | -31.3 | 176 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | R217 K218 V219 | R217-S221 VanDerWaalsContact O-CB 3.3Å; R217-S221 WeakPolarHBondContact O-CB 3.19Å; R217-S221 PolarHBondContact O-N 3.25Å; R217-S221 PolarHBondContact O-OG 3.42Å; K218-S221 WeakPolarHBondContact O-CB 3.41Å; K218-S221 PolarHBondContact O-N 2.95Å; K218-S221 VanDerWaalsContact O-N 3.1Å; V219-S221 PolarHBondContact O-N 3.34Å |
| 222 | S | 76.2 | Confident | 77 | Confident | 89 Ų | 89 | 68 Ų | 68 | 62% | 0.622 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.1 | -32.3 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 113.2 | K218 V219 | K218-S222 PolarHBondContact O-N 2.67Å; V219-S222 PolarHBondContact O-N 2.82Å |
| 223 | L | 80.5 | Confident | 78.6 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -85.5 | -20 | 178 | -75.3 | -175.8 | 0 | 0 | 0 | 113.2 | I85 V88 V143 P144 V219 E225 V226 | I85-L223 WeakPolarHBondContact CB-O 3.15Å; V88-L223 HydrophobicContact CG1-CD1 4.03Å; V88-L223 HydrophobicContact CG2-CB 3.74Å; V88-L223 HydrophobicContact CG2-CD1 4.16Å; V143-L223 HydrophobicContact CB-CD1 4.12Å; V143-L223 HydrophobicContact CG1-CD1 3.6Å; V143-L223 HydrophobicContact CG2-CD1 3.95Å; P144-L223 HydrophobicContact CG-CD2 4.29Å; V219-L223 PolarHBondContact O-N 2.69Å; L223-E225 PolarHBondContact O-N 2.9Å; L223-V226 HydrophobicContact CD2-CG2 4.31Å; L223-V226 WeakPolarHBondContact O-CG2 3.44Å; L223-V226 PolarHBondContact O-N 2.77Å |
| 224 | K | 81.7 | Confident | 80.3 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 136.5 | 169.5 | -84.8 | 170.4 | -167.9 | -179.7 | 0 | 108.7 | N220 V226 | N220-K224 WeakPolarHBondContact O-CG 3.42Å; N220-K224 PolarHBondContact O-N 3.45Å; N220-K224 VanDerWaalsContact O-N 3.16Å; K224-V226 VanDerWaalsContact C-N 3.3Å; K224-V226 PolarHBondContact O-N 2.79Å |
| 225 | E | 86.4 | Confident | 81.6 | Confident | 141 Ų | 141 | 63.7 Ų | 63.7 | 66% | 0.659 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 1.8 | 179.2 | -48.5 | -172.4 | 173.9 | 0 | 0 | 117.1 | K84 I85 L223 S227 | K84-E225 HydrophobicContact CD-CB 4.38Å; I85-E225 PolarHBondContact O-N 2.98Å; L223-E225 PolarHBondContact O-N 2.9Å; E225-S227 PolarHBondContact O-N 2.92Å |
| 226 | V | 91.7 | Very high | 83 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | trans | -61.8 | 132.6 | 169.9 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | K84 I85 L112 L223 K224 | K84-V226 WeakPolarHBondContact CA-O 3.25Å; I85-V226 HydrophobicContact CD1-CB 4.13Å; I85-V226 HydrophobicContact CG1-CB 4.48Å; I85-V226 PolarHBondContact N-O 3.03Å; L112-V226 HydrophobicContact CD2-CG1 3.82Å; L223-V226 HydrophobicContact CD2-CG2 4.31Å; L223-V226 WeakPolarHBondContact O-CG2 3.44Å; L223-V226 PolarHBondContact O-N 2.77Å; K224-V226 VanDerWaalsContact C-N 3.3Å; K224-V226 PolarHBondContact O-N 2.79Å | ||
| 227 | S | 94.2 | Very high | 84.6 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.3 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | E225 | E225-S227 PolarHBondContact O-N 2.92Å |
| 228 | V | 95 | Very high | 85.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.6 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | L82 G83 I85 I95 L110 F111 L118 | L82-V228 WeakPolarHBondContact CB-O 3.26Å; L82-V228 PolarHBondContact N-O 3.46Å; G83-V228 PolarHBondContact N-O 3.16Å; G83-V228 PolarHBondContact O-N 2.97Å; I85-V228 HydrophobicContact CD1-CG2 4.14Å; I85-V228 HydrophobicContact CG1-CG2 3.67Å; I95-V228 HydrophobicContact CD1-CB 3.99Å; I95-V228 HydrophobicContact CD1-CG1 3.74Å; I95-V228 HydrophobicContact CD1-CG2 3.85Å; I95-V228 HydrophobicContact CG1-CG2 4.46Å; I95-V228 HydrophobicContact CG2-CB 4.47Å; L110-V228 HydrophobicContact CB-CG1 3.79Å; L110-V228 HydrophobicContact CD1-CG1 3.97Å; L110-V228 HydrophobicContact CG-CG1 4.4Å; F111-V228 WeakPolarHBondContact O-CG1 3.26Å; L118-V228 HydrophobicContact CD2-CB 4.41Å; L118-V228 HydrophobicContact CD2-CG1 3.68Å; L118-V228 HydrophobicContact CD2-CG2 3.78Å |
| 229 | F | 94.9 | Very high | 87.1 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 159.2 | -171.3 | -58.2 | -100.5 | 0 | 0 | 0 | 111.6 | V79 S80 L81 F111 E113 | V79-F229 HydrophobicContact CB-CB 4.02Å; V79-F229 HydrophobicContact CB-CD1 4.49Å; V79-F229 HydrophobicContact CG2-CB 4.36Å; V79-F229 HydrophobicContact CG2-CD1 4.12Å; V79-F229 HydrophobicContact CG2-CG 4.39Å; S80-F229 CarbonylContact O-C 3.52Å; S80-F229 WeakPolarHBondContact O-CA 3.21Å; S80-F229 WeakPolarHBondContact O-CB 3.49Å; L81-F229 HydrophobicContact CB-CD1 4.11Å; L81-F229 HydrophobicContact CB-CE1 3.96Å; L81-F229 HydrophobicContact CD1-CD1 4.3Å; L81-F229 HydrophobicContact CD1-CE1 3.88Å; L81-F229 HydrophobicContact CD1-CE2 4.4Å; L81-F229 HydrophobicContact CD1-CZ 3.94Å; L81-F229 HydrophobicContact CG-CE1 4.49Å; F111-F229 PolarHBondContact N-O 2.9Å; F111-F229 PolarHBondContact O-N 3.05Å; E113-F229 HydrophobicContact CB-CD2 4.36Å; E113-F229 HydrophobicContact CB-CE2 3.63Å; E113-F229 HydrophobicContact CB-CZ 4.2Å; E113-F229 HydrophobicContact CG-CE2 4.05Å; E113-F229 HydrophobicContact CG-CZ 4.1Å |
| 230 | Y | 95.1 | Very high | 88.3 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 161 | 172.7 | 71.6 | -80.5 | 0 | 0 | 0 | 110 | V79 S80 L82 L104 P232 T238 | V79-Y230 CarbonylContact C-O 3.5Å; V79-Y230 WeakPolarHBondContact CA-O 3.36Å; S80-Y230 VanDerWaalsContact CB-CE1 3.41Å; S80-Y230 VanDerWaalsContact CB-CZ 3.49Å; S80-Y230 PolarHBondContact N-O 2.86Å; S80-Y230 WeakPolarHBondContact O-CD1 3.5Å; S80-Y230 PolarHBondContact O-N 3.42Å; L82-Y230 HydrophobicContact CB-CD1 3.96Å; L82-Y230 HydrophobicContact CD1-CD1 4.17Å; L82-Y230 HydrophobicContact CD1-CE1 4.49Å; L104-Y230 HydrophobicContact CD1-CG 4.23Å; L104-Y230 HydrophobicContact CD2-CD2 4.34Å; Y230-P232 HydrophobicContact CD2-CB 4.38Å; Y230-P232 HydrophobicContact CE2-CB 3.81Å; Y230-P232 HydrophobicContact CE2-CG 4.31Å; Y230-P232 WeakPolarHBondContact O-CD 3.46Å; Y230-T238 HydrophobicContact CD2-CG2 3.65Å; Y230-T238 HydrophobicContact CE2-CG2 4.19Å |
| 231 | A | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -106.2 | 89.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L73 I77 F111 D233 M234 T238 | L73-A231 HydrophobicContact CD1-CB 4.37Å; I77-A231 HydrophobicContact CG2-CB 4.35Å; F111-A231 HydrophobicContact CE2-CB 4.38Å; A231-D233 PolarHBondContact O-N 2.91Å; A231-M234 HydrophobicContact CB-CB 4.13Å; A231-M234 HydrophobicContact CB-CG 4.2Å; A231-M234 PolarHBondContact O-N 3.36Å; A231-M234 VanDerWaalsContact O-N 3.14Å; A231-T238 VanDerWaalsContact C-OG1 3.24Å; A231-T238 PolarHBondContact N-OG1 3.17Å; A231-T238 WeakPolarHBondContact O-CB 3.17Å; A231-T238 PolarHBondContact O-OG1 3.18Å | ||
| 232 | P | 91.7 | Very high | 89.1 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 31% | 0.312 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.5 | -175.1 | 23.8 | -36.1 | 0 | 0 | 0 | 114.1 | K78 Y230 M234 | K78-P232 WeakPolarHBondContact O-CD 3.29Å; Y230-P232 HydrophobicContact CD2-CB 4.38Å; Y230-P232 HydrophobicContact CE2-CB 3.81Å; Y230-P232 HydrophobicContact CE2-CG 4.31Å; Y230-P232 WeakPolarHBondContact O-CD 3.46Å; P232-M234 PolarHBondContact O-N 2.82Å |
| 233 | D | 91.7 | Very high | 88.6 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7 | -175.7 | -60 | -18 | 0 | 0 | 0 | 112.3 | K78 A231 P235 | K78-D233 WeakPolarHBondContact CB-OD2 3.18Å; A231-D233 PolarHBondContact O-N 2.91Å; D233-P235 VanDerWaalsContact O-CD 3.32Å; D233-P235 WeakPolarHBondContact O-CD 3.44Å |
| 234 | M | 92.1 | Very high | 87.7 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | trans | -111.5 | 91 | -178.4 | -64.2 | -64 | -69.3 | 0 | 0 | 110.6 | I77 A231 P232 E236 L237 T238 | I77-M234 HydrophobicContact CG2-CG 4.37Å; A231-M234 HydrophobicContact CB-CB 4.13Å; A231-M234 HydrophobicContact CB-CG 4.2Å; A231-M234 PolarHBondContact O-N 3.36Å; A231-M234 VanDerWaalsContact O-N 3.14Å; P232-M234 PolarHBondContact O-N 2.82Å; M234-E236 PolarHBondContact O-N 2.86Å; M234-L237 HydrophobicContact CB-CB 4.14Å; M234-L237 HydrophobicContact CB-CD1 4Å; M234-L237 HydrophobicContact CB-CG 4.23Å; M234-L237 HydrophobicContact CE-CD1 4.41Å; M234-L237 HydrophobicContact CG-CD1 4.35Å; M234-L237 PolarHBondContact O-N 3.39Å; M234-L237 VanDerWaalsContact O-N 3.07Å; M234-T238 PolarHBondContact O-N 2.87Å | ||
| 235 | P | 89.7 | Confident | 86.8 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.4 | -176.9 | 28.1 | -35.9 | 0 | 0 | 0 | 113.7 | D233 L237 | D233-P235 VanDerWaalsContact O-CD 3.32Å; D233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-L237 PolarHBondContact O-N 2.76Å |
| 236 | E | 90.9 | Very high | 85.7 | Confident | 158 Ų | 158 | 65.3 Ų | 65.3 | 74% | 0.738 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.6 | 173.6 | -62 | -179.8 | -179.3 | 0 | 0 | 112.2 | M234 | M234-E236 PolarHBondContact O-N 2.86Š|
| 237 | L | 92.6 | Very high | 84.4 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -30.1 | -176.4 | -60.8 | 177 | 0 | 0 | 0 | 112.2 | V70 L73 S108 V109 F111 M234 P235 | V70-L237 HydrophobicContact CG1-CD1 4.44Å; V70-L237 HydrophobicContact CG1-CD2 3.8Å; V70-L237 HydrophobicContact CG2-CD2 3.92Å; L73-L237 HydrophobicContact CD2-CD1 4.43Å; S108-L237 CarbonylContact C-O 3.07Å; S108-L237 VanDerWaalsContact CA-O 3.31Å; S108-L237 WeakPolarHBondContact CA-O 3.42Å; V109-L237 HydrophobicContact CB-CB 4.22Å; V109-L237 HydrophobicContact CB-CD2 4.14Å; V109-L237 HydrophobicContact CG2-CD2 3.99Å; V109-L237 PolarHBondContact N-O 3.18Å; F111-L237 HydrophobicContact CE2-CD1 4.3Å; F111-L237 HydrophobicContact CZ-CD1 3.99Å; M234-L237 HydrophobicContact CB-CB 4.14Å; M234-L237 HydrophobicContact CB-CD1 4Å; M234-L237 HydrophobicContact CB-CG 4.23Å; M234-L237 HydrophobicContact CE-CD1 4.41Å; M234-L237 HydrophobicContact CG-CD1 4.35Å; M234-L237 PolarHBondContact O-N 3.39Å; M234-L237 VanDerWaalsContact O-N 3.07Å; P235-L237 PolarHBondContact O-N 2.76Å |
| 238 | T | 93.5 | Very high | 82.8 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | trans | -113 | 110.7 | -177.4 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | L104 Y230 A231 M234 P240 | L104-T238 HydrophobicContact CD2-CG2 3.63Å; Y230-T238 HydrophobicContact CD2-CG2 3.65Å; Y230-T238 HydrophobicContact CE2-CG2 4.19Å; A231-T238 VanDerWaalsContact C-OG1 3.24Å; A231-T238 PolarHBondContact N-OG1 3.17Å; A231-T238 WeakPolarHBondContact O-CB 3.17Å; A231-T238 PolarHBondContact O-OG1 3.18Å; M234-T238 PolarHBondContact O-N 2.87Å; T238-P240 VanDerWaalsContact O-CD 3.23Å; T238-P240 WeakPolarHBondContact O-CD 3.37Å | ||
| 239 | I | 92.2 | Very high | 81 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 30% | 0.303 | 39% | 0.387 | S | S | . | . | trans | -105.7 | 99.2 | 178.3 | -55.3 | 169.2 | 0 | 0 | 0 | 108.1 | N105 R107 S108 | N105-I239 HydrophobicContact CB-CB 4.06Å; N105-I239 HydrophobicContact CB-CG2 3.67Å; N105-I239 WeakPolarHBondContact CB-O 3.46Å; N105-I239 PolarHBondContact N-O 2.87Å; R107-I239 HydrophobicContact CB-CD1 4.07Å; S108-I239 PolarHBondContact OG-N 2.88Å; S108-I239 VanDerWaalsContact OG-N 3.15Å; S108-I239 PolarHBondContact OG-O 3.26Å | ||
| 240 | P | 89.8 | Confident | 79.1 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 137.6 | 179.2 | 29.2 | -34.6 | 0 | 0 | 0 | 111.8 | V102 V103 T238 F242 | V102-P240 HydrophobicContact CG1-CB 3.89Å; V103-P240 CarbonylContact O-C 3.6Å; T238-P240 VanDerWaalsContact O-CD 3.23Å; T238-P240 WeakPolarHBondContact O-CD 3.37Å; P240-F242 HydrophobicContact CB-CE2 4.5Å; P240-F242 HydrophobicContact CB-CZ 4.35Å; P240-F242 HydrophobicContact CG-CE1 4.23Å; P240-F242 HydrophobicContact CG-CE2 3.79Å; P240-F242 HydrophobicContact CG-CZ 3.6Å |
| 241 | V | 84.5 | Confident | 77.4 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.1 | 163.5 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | V103 N105 Y243 | V103-V241 HydrophobicContact CB-CB 4.14Å; V103-V241 HydrophobicContact CG1-CB 4.1Å; V103-V241 HydrophobicContact CG1-CG2 4.27Å; V103-V241 PolarHBondContact O-N 2.86Å; N105-V241 HydrophobicContact CB-CG2 3.53Å; V241-Y243 PolarHBondContact O-N 3.09Å |
| 242 | F | 72.8 | Confident | 75.7 | Confident | 129 Ų | 129 | 90.6 Ų | 90.6 | 57% | 0.566 | 48% | 0.477 | S | S | * | . | trans | -76.5 | 68.5 | 178 | -63.3 | -81.7 | 0 | 0 | 0 | 111.6 | P240 N244 Q245 L246 | P240-F242 HydrophobicContact CB-CE2 4.5Å; P240-F242 HydrophobicContact CB-CZ 4.35Å; P240-F242 HydrophobicContact CG-CE1 4.23Å; P240-F242 HydrophobicContact CG-CE2 3.79Å; P240-F242 HydrophobicContact CG-CZ 3.6Å; F242-N244 VanDerWaalsContact C-N 3.25Å; F242-N244 PolarHBondContact O-N 3.39Å; F242-Q245 HydrophobicContact CB-CB 3.62Å; F242-Q245 PolarHBondContact O-N 3.04Å; F242-Q245 VanDerWaalsContact O-N 3.07Å; F242-L246 WeakPolarHBondContact O-CG 3.16Å; F242-L246 PolarHBondContact O-N 3.16Å | ||
| 243 | Y | 67.1 | Low | 74.2 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 173.3 | 177.7 | -109.7 | 0 | 0 | 0 | 111.4 | V128 V241 Q245 L246 I247 | V128-Y243 HydrophobicContact CG1-CD1 3.48Å; V128-Y243 VanDerWaalsContact CG1-CD1 3.48Å; V128-Y243 HydrophobicContact CG1-CD2 3.94Å; V128-Y243 HydrophobicContact CG1-CE1 3.51Å; V128-Y243 HydrophobicContact CG1-CE2 4.01Å; V128-Y243 HydrophobicContact CG1-CG 3.7Å; V128-Y243 HydrophobicContact CG2-CE2 4.33Å; V241-Y243 PolarHBondContact O-N 3.09Å; Y243-Q245 PolarHBondContact O-N 2.88Å; Y243-L246 WeakPolarHBondContact O-CB 3.34Å; Y243-L246 PolarHBondContact O-N 2.81Å; Y243-L246 VanDerWaalsContact O-N 3.11Å; Y243-I247 HydrophobicContact CD1-CD1 3.44Å; Y243-I247 VanDerWaalsContact CD1-CD1 3.44Å; Y243-I247 HydrophobicContact CD1-CG1 4.13Å; Y243-I247 HydrophobicContact CD2-CG1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 2.95Å; Y243-I247 HydrophobicContact CE1-CG1 3.72Å; Y243-I247 HydrophobicContact CE2-CD1 4.13Å; Y243-I247 HydrophobicContact CE2-CG1 3.95Å; Y243-I247 HydrophobicContact CG-CD1 4.22Å; Y243-I247 HydrophobicContact CG-CG1 4.45Å; Y243-I247 WeakPolarHBondContact O-CG1 3.3Å; Y243-I247 PolarHBondContact O-N 3.15Å |
| 244 | N | 60.8 | Low | 72.5 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -32 | 176.8 | -66.2 | -21.5 | 0 | 0 | 0 | 112 | F242 A248 | F242-N244 VanDerWaalsContact C-N 3.25Å; F242-N244 PolarHBondContact O-N 3.39Å; N244-A248 WeakPolarHBondContact O-CB 3.44Å; N244-A248 PolarHBondContact O-N 3.14Å |
| 245 | Q | 63.3 | Low | 70.6 | Confident | 129 Ų | 129 | 96.1 Ų | 96.1 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -76 | -36 | 173.8 | -163.6 | 125 | 26.7 | 0 | 0 | 111.3 | F242 Y243 I247 A248 S249 | F242-Q245 HydrophobicContact CB-CB 3.62Å; F242-Q245 PolarHBondContact O-N 3.04Å; F242-Q245 VanDerWaalsContact O-N 3.07Å; Y243-Q245 PolarHBondContact O-N 2.88Å; Q245-I247 VanDerWaalsContact C-N 3.34Å; Q245-I247 PolarHBondContact O-N 3.03Å; Q245-A248 PolarHBondContact O-N 3.37Å; Q245-S249 WeakPolarHBondContact O-CB 3.42Å; Q245-S249 PolarHBondContact O-N 3.18Å; Q245-S249 PolarHBondContact O-OG 3.22Å |
| 246 | L | 62.8 | Low | 68.6 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 172.6 | -67.8 | 172.9 | 0 | 0 | 0 | 111.7 | F242 Y243 S249 | F242-L246 WeakPolarHBondContact O-CG 3.16Å; F242-L246 PolarHBondContact O-N 3.16Å; Y243-L246 WeakPolarHBondContact O-CB 3.34Å; Y243-L246 PolarHBondContact O-N 2.81Å; Y243-L246 VanDerWaalsContact O-N 3.11Å; L246-S249 PolarHBondContact O-OG 2.97Å |
| 247 | I | 65.2 | Low | 66.8 | Low | 91 Ų | 91 | 91.2 Ų | 91.2 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -50.6 | 173.1 | -57.4 | 163.5 | 0 | 0 | 0 | 111 | Y243 Q245 S249 N250 | Y243-I247 HydrophobicContact CD1-CD1 3.44Å; Y243-I247 VanDerWaalsContact CD1-CD1 3.44Å; Y243-I247 HydrophobicContact CD1-CG1 4.13Å; Y243-I247 HydrophobicContact CD2-CG1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 2.95Å; Y243-I247 HydrophobicContact CE1-CG1 3.72Å; Y243-I247 HydrophobicContact CE2-CD1 4.13Å; Y243-I247 HydrophobicContact CE2-CG1 3.95Å; Y243-I247 HydrophobicContact CG-CD1 4.22Å; Y243-I247 HydrophobicContact CG-CG1 4.45Å; Y243-I247 WeakPolarHBondContact O-CG1 3.3Å; Y243-I247 PolarHBondContact O-N 3.15Å; Q245-I247 VanDerWaalsContact C-N 3.34Å; Q245-I247 PolarHBondContact O-N 3.03Å; I247-S249 VanDerWaalsContact C-N 3.34Å; I247-S249 PolarHBondContact O-N 2.91Å; I247-N250 PolarHBondContact O-N 2.94Å; I247-N250 VanDerWaalsContact O-N 3.1Å |
| 248 | A | 59.6 | Low | 64.9 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.6 | -32.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N244 Q245 N250 | N244-A248 WeakPolarHBondContact O-CB 3.44Å; N244-A248 PolarHBondContact O-N 3.14Å; Q245-A248 PolarHBondContact O-N 3.37Å; A248-N250 PolarHBondContact O-N 2.79Å |
| 249 | S | 57 | Low | 62.9 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | -9.1 | 175 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | Q245 L246 I247 I251 | Q245-S249 WeakPolarHBondContact O-CB 3.42Å; Q245-S249 PolarHBondContact O-N 3.18Å; Q245-S249 PolarHBondContact O-OG 3.22Å; L246-S249 PolarHBondContact O-OG 2.97Å; I247-S249 VanDerWaalsContact C-N 3.34Å; I247-S249 PolarHBondContact O-N 2.91Å; S249-I251 PolarHBondContact O-N 2.89Å; S249-I251 VanDerWaalsContact OG-CD1 3.25Å; S249-I251 WeakPolarHBondContact OG-CD1 3.48Å; S249-I251 VanDerWaalsContact OG-CG1 3.28Å; S249-I251 WeakPolarHBondContact OG-CG1 3.47Å |
| 250 | N | 54.1 | Low | 61.3 | Low | 137 Ų | 137 | 101.6 Ų | 101.6 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.6 | 38.9 | -177.5 | -152 | -6.8 | 0 | 0 | 0 | 111.2 | I247 A248 K252 | I247-N250 PolarHBondContact O-N 2.94Å; I247-N250 VanDerWaalsContact O-N 3.1Å; A248-N250 PolarHBondContact O-N 2.79Å; N250-K252 PolarHBondContact O-N 2.88Å |
| 251 | I | 60.2 | Low | 60.1 | Low | 118 Ų | 118 | 107.9 Ų | 107.9 | 61% | 0.605 | 61% | 0.614 | S | S | * | * | trans | -68.9 | 85.6 | 169.3 | -63.7 | 165.2 | 0 | 0 | 0 | 103.7 | S249 G253 | S249-I251 PolarHBondContact O-N 2.89Å; S249-I251 VanDerWaalsContact OG-CD1 3.25Å; S249-I251 WeakPolarHBondContact OG-CD1 3.48Å; S249-I251 VanDerWaalsContact OG-CG1 3.28Å; S249-I251 WeakPolarHBondContact OG-CG1 3.47Å; I251-G253 VanDerWaalsContact C-N 3.28Å; I251-G253 PolarHBondContact O-N 2.81Å | ||
| 252 | K | 58.9 | Low | 58.9 | Low | 186 Ų | 186 | 109.6 Ų | 109.6 | 81% | 0.809 | 63% | 0.625 | S | S | * | * | trans | -52.1 | 102.7 | 167.1 | -178.3 | 178.5 | 179.7 | -174.2 | 0 | 104.7 | N250 S254 | N250-K252 PolarHBondContact O-N 2.88Å; K252-S254 PolarHBondContact O-N 2.84Å | ||
| 253 | G | 60.3 | Low | 58.4 | Low | 60 Ų | 60 | 111.7 Ų | 111.7 | 62% | 0.619 | 64% | 0.636 | S | S | * | * | trans | -50.9 | 111.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | I251 D255 | I251-G253 VanDerWaalsContact C-N 3.28Å; I251-G253 PolarHBondContact O-N 2.81Å; G253-D255 PolarHBondContact O-N 3.32Å; G253-D255 VanDerWaalsContact O-N 3.1Å | ||
| 254 | S | 55.2 | Low | 58.4 | Low | 107 Ų | 107 | 109.4 Ų | 109.4 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -78.2 | 90.7 | 165.6 | -164.7 | 0 | 0 | 0 | 0 | 103.9 | K252 A256 | K252-S254 PolarHBondContact O-N 2.84Å; S254-A256 PolarHBondContact O-N 2.94Å | ||
| 255 | D | 52.9 | Low | 58.5 | Low | 163 Ų | 163 | 106.9 Ų | 106.9 | 87% | 0.872 | 62% | 0.624 | S | S | * | * | trans | -70.8 | 13.6 | -176.1 | 62.1 | -23.4 | 0 | 0 | 0 | 113.5 | G253 | G253-D255 PolarHBondContact O-N 3.32Å; G253-D255 VanDerWaalsContact O-N 3.1Å | ||
| 256 | A | 46.3 | Very low | 58.4 | Low | 49 Ų | 49 | 105 Ų | 105 | 41% | 0.405 | 62% | 0.623 | S | S | . | * | trans | -142.3 | 97.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S254 W258 | S254-A256 PolarHBondContact O-N 2.94Å; A256-W258 PolarHBondContact O-N 3.31Å | ||
| 257 | S | 53.1 | Low | 58.2 | Low | 109 Ų | 109 | 108 Ų | 108 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | trans | -66.4 | 90 | 151.3 | 47.7 | 0 | 0 | 0 | 0 | 107.9 | V259 | S257-V259 PolarHBondContact O-N 3.36Š| ||
| 258 | W | 52.7 | Low | 58 | Low | 111 Ų | 111 | 106.4 Ų | 106.4 | 42% | 0.42 | 64% | 0.635 | S | S | . | * | trans | -53 | 98.6 | 134.9 | -75.5 | 53.7 | 0 | 0 | 0 | 105.3 | A256 G260 T262 P264 P265 | A256-W258 PolarHBondContact O-N 3.31Å; W258-G260 PolarHBondContact O-N 2.87Å; W258-T262 WeakPolarHBondContact CB-O 3.42Å; W258-P264 HydrophobicContact CD2-CB 4.46Å; W258-P264 HydrophobicContact CZ2-CB 3.91Å; W258-P265 HydrophobicContact CH2-CG 3.44Å; W258-P265 VanDerWaalsContact CH2-CG 3.44Å; W258-P265 HydrophobicContact CZ2-CG 4.48Å; W258-P265 HydrophobicContact CZ3-CG 3.56Å | ||
| 259 | V | 52.9 | Low | 58.3 | Low | 137 Ų | 137 | 106.9 Ų | 106.9 | 83% | 0.83 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -32.6 | 114.2 | -171 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | S257 | S257-V259 PolarHBondContact O-N 3.36Š|
| 260 | G | 59.2 | Low | 58.5 | Low | 59 Ų | 59 | 113.3 Ų | 113.3 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.4 | 65.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | W258 T262 | W258-G260 PolarHBondContact O-N 2.87Å; G260-T262 PolarHBondContact O-N 3.45Å; G260-T262 PolarHBondContact O-OG1 3.02Å |
| 261 | D | 64.3 | Low | 58.7 | Low | 177 Ų | 177 | 109.7 Ų | 109.7 | 95% | 0.947 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 31.6 | 167.5 | -67.2 | -28.8 | 0 | 0 | 0 | 115.5 | ||
| 262 | T | 59.2 | Low | 59 | Low | 83 Ų | 83 | 110.3 Ų | 110.3 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | trans | -93.2 | 113.6 | -177.8 | -50.7 | 0 | 0 | 0 | 0 | 109 | W258 G260 | W258-T262 WeakPolarHBondContact CB-O 3.42Å; G260-T262 PolarHBondContact O-N 3.45Å; G260-T262 PolarHBondContact O-OG1 3.02Å | ||
| 263 | E | 60.9 | Low | 59.6 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 81% | 0.808 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 141.7 | 173 | -79.9 | -171.6 | 158.5 | 0 | 0 | 110.9 | ||
| 264 | P | 67.6 | Low | 60.3 | Low | 57 Ų | 57 | 108 Ų | 108 | 37% | 0.37 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 137.7 | 173.7 | -20.7 | 29.9 | 0 | 0 | 0 | 110.9 | W258 | W258-P264 HydrophobicContact CD2-CB 4.46Å; W258-P264 HydrophobicContact CZ2-CB 3.91Å |
| 265 | P | 63.3 | Low | 61.4 | Low | 60 Ų | 60 | 109.4 Ų | 109.4 | 39% | 0.39 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 143.3 | 175.7 | 3.6 | -5.7 | 0 | 0 | 0 | 109.1 | W258 E267 A268 | W258-P265 HydrophobicContact CH2-CG 3.44Å; W258-P265 VanDerWaalsContact CH2-CG 3.44Å; W258-P265 HydrophobicContact CZ2-CG 4.48Å; W258-P265 HydrophobicContact CZ3-CG 3.56Å; P265-E267 PolarHBondContact O-N 3.42Å; P265-A268 PolarHBondContact O-N 3.02Å |
| 266 | P | 61 | Low | 62.4 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 58% | 0.578 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -59.1 | -16.3 | -173.3 | 18.9 | -30.9 | 0 | 0 | 0 | 114.5 | A268 L269 H280 | P266-A268 VanDerWaalsContact C-N 3.32Å; P266-L269 PolarHBondContact O-N 3.41Å; P266-H280 PolarHBondContact O-CE1 2.82Å |
| 267 | E | 58.6 | Low | 63.9 | Low | 163 Ų | 163 | 112 Ų | 112 | 76% | 0.762 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -70.6 | -24.4 | 172.4 | -77.3 | -170.8 | 153.6 | 0 | 0 | 114.1 | P265 | P265-E267 PolarHBondContact O-N 3.42Š|
| 268 | A | 61.8 | Low | 65.1 | Low | 58 Ų | 58 | 114.4 Ų | 114.4 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -97 | 4.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P265 P266 E270 | P265-A268 PolarHBondContact O-N 3.02Å; P266-A268 VanDerWaalsContact C-N 3.32Å; A268-E270 PolarHBondContact O-N 3.39Å; A268-E270 VanDerWaalsContact O-N 3.08Å |
| 269 | L | 64.4 | Low | 66.3 | Low | 95 Ų | 95 | 114.3 Ų | 114.3 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | trans | -73 | 102.7 | 177.1 | -142.2 | 81.7 | 0 | 0 | 0 | 109 | P266 F271 | P266-L269 PolarHBondContact O-N 3.41Å; L269-F271 HydrophobicContact CB-CZ 4.43Å; L269-F271 WeakPolarHBondContact O-CD2 3.2Å; L269-F271 WeakPolarHBondContact O-CE2 3.04Å; L269-F271 PolarHBondContact O-N 3.27Å | ||
| 270 | E | 61.2 | Low | 67.4 | Low | 188 Ų | 188 | 110 Ų | 110 | 88% | 0.879 | 59% | 0.585 | S | S | * | * | trans | -70 | 120.2 | 175.3 | -65.2 | -176.1 | 177.6 | 0 | 0 | 109.8 | A268 S272 | A268-E270 PolarHBondContact O-N 3.39Å; A268-E270 VanDerWaalsContact O-N 3.08Å; E270-S272 PolarHBondContact O-N 2.67Å | ||
| 271 | F | 58.5 | Low | 68.4 | Low | 61 Ų | 61 | 112.9 Ų | 112.9 | 27% | 0.268 | 58% | 0.581 | S | S | . | * | trans | -81.3 | 111.7 | 177.3 | -60.2 | -79.1 | 0 | 0 | 0 | 108.9 | L269 D273 R276 E277 H280 | L269-F271 HydrophobicContact CB-CZ 4.43Å; L269-F271 WeakPolarHBondContact O-CD2 3.2Å; L269-F271 WeakPolarHBondContact O-CE2 3.04Å; L269-F271 PolarHBondContact O-N 3.27Å; F271-D273 PolarHBondContact O-N 3.16Å; F271-D273 VanDerWaalsContact O-N 3.1Å; F271-R276 HydrophobicContact CB-CB 4.27Å; F271-R276 HydrophobicContact CD1-CB 3.74Å; F271-R276 HydrophobicContact CG-CB 4.33Å; F271-E277 HydrophobicContact CB-CB 3.82Å; F271-E277 HydrophobicContact CB-CG 4.38Å; F271-E277 HydrophobicContact CD2-CB 4.12Å; F271-E277 HydrophobicContact CD2-CG 3.98Å; F271-E277 HydrophobicContact CG-CB 4.13Å; F271-E277 HydrophobicContact CG-CG 4.49Å; F271-H280 HydrophobicContact CD1-CB 4.48Å; F271-H280 HydrophobicContact CD2-CB 4.31Å; F271-H280 HydrophobicContact CE1-CB 3.67Å; F271-H280 AromaticContact CE1-CG 3.99Å; F271-H280 HydrophobicContact CE2-CB 3.48Å; F271-H280 VanDerWaalsContact CE2-CB 3.48Å; F271-H280 AromaticContact CE2-CG 3.49Å; F271-H280 VanDerWaalsContact CE2-CG 3.49Å; F271-H280 AromaticContact CE2-ND1 3.25Å; F271-H280 VanDerWaalsContact CE2-ND1 3.25Å; F271-H280 WeakPolarHBondContact CE2-ND1 3.5Å; F271-H280 HydrophobicContact CZ-CB 3.13Å; F271-H280 AromaticContact CZ-CD2 3.65Å; F271-H280 AromaticContact CZ-CE1 3.88Å; F271-H280 AromaticContact CZ-CG 3.07Å; F271-H280 AromaticContact CZ-ND1 3.26Å; F271-H280 VanDerWaalsContact CZ-ND1 3.26Å; F271-H280 WeakPolarHBondContact CZ-ND1 3.13Å | ||
| 272 | S | 67.4 | Low | 69.2 | Low | 131 Ų | 131 | 112.5 Ų | 112.5 | 92% | 0.916 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -67.4 | -2.1 | 175.7 | -178.8 | 0 | 0 | 0 | 0 | 114.4 | E270 | E270-S272 PolarHBondContact O-N 2.67Š|
| 273 | D | 70.6 | Confident | 70.3 | Confident | 67 Ų | 67 | 110.9 Ų | 110.9 | 36% | 0.358 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -141.3 | 123.8 | -169.6 | -179.4 | 13.2 | 0 | 0 | 0 | 108.2 | F271 E275 R276 E277 | F271-D273 PolarHBondContact O-N 3.16Å; F271-D273 VanDerWaalsContact O-N 3.1Å; D273-E275 PolarHBondContact O-N 2.87Å; D273-R276 HydrophobicContact CB-CB 4.41Å; D273-R276 HydrophobicContact CB-CG 4.32Å; D273-R276 PolarHBondContact O-N 3.1Å; D273-R276 VanDerWaalsContact O-N 3.08Å; D273-E277 PolarHBondContact O-N 3.29Å; D273-E277 VanDerWaalsContact O-N 3.14Å |
| 274 | D | 75.4 | Confident | 71.2 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -27.1 | -172.6 | 68.5 | -35.9 | 0 | 0 | 0 | 112.2 | K278 | D274-K278 PolarHBondContact O-N 3.22Å |
| 275 | E | 77.9 | Confident | 71.9 | Confident | 136 Ų | 136 | 109.6 Ų | 109.6 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 174.4 | -145.1 | -167.6 | -170.3 | 0 | 0 | 112.1 | D273 K278 L279 | D273-E275 PolarHBondContact O-N 2.87Å; E275-K278 PolarHBondContact O-N 3.13Å; E275-L279 PolarHBondContact O-N 3.02Å; E275-L279 VanDerWaalsContact O-N 3.14Å |
| 276 | R | 74.1 | Confident | 72.6 | Confident | 167 Ų | 167 | 112.8 Ų | 112.8 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -36.8 | 176.8 | -70.3 | -174.3 | -172.7 | 175.3 | 2.2 | 112.2 | F271 D273 K278 L279 H280 | F271-R276 HydrophobicContact CB-CB 4.27Å; F271-R276 HydrophobicContact CD1-CB 3.74Å; F271-R276 HydrophobicContact CG-CB 4.33Å; D273-R276 HydrophobicContact CB-CB 4.41Å; D273-R276 HydrophobicContact CB-CG 4.32Å; D273-R276 PolarHBondContact O-N 3.1Å; D273-R276 VanDerWaalsContact O-N 3.08Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 3.06Å; R276-L279 PolarHBondContact O-N 3Å; R276-H280 PolarHBondContact O-N 3.11Å |
| 277 | E | 77.1 | Confident | 73.4 | Confident | 98 Ų | 98 | 115.9 Ų | 115.9 | 46% | 0.458 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.2 | -45.1 | 174.3 | -162.9 | -160.1 | 145.5 | 0 | 0 | 110.8 | F271 D273 L279 H280 K281 | F271-E277 HydrophobicContact CB-CB 3.82Å; F271-E277 HydrophobicContact CB-CG 4.38Å; F271-E277 HydrophobicContact CD2-CB 4.12Å; F271-E277 HydrophobicContact CD2-CG 3.98Å; F271-E277 HydrophobicContact CG-CB 4.13Å; F271-E277 HydrophobicContact CG-CG 4.49Å; D273-E277 PolarHBondContact O-N 3.29Å; D273-E277 VanDerWaalsContact O-N 3.14Å; E277-L279 PolarHBondContact O-N 2.85Å; E277-H280 PolarHBondContact O-N 2.87Å; E277-K281 WeakPolarHBondContact O-CB 3.25Å; E277-K281 PolarHBondContact O-N 3.15Å |
| 278 | K | 78.4 | Confident | 74.3 | Confident | 160 Ų | 160 | 117.4 Ų | 117.4 | 70% | 0.696 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 179.7 | -167.3 | 175.5 | -176.2 | 177.6 | 0 | 112.1 | D274 E275 R276 R282 | D274-K278 PolarHBondContact O-N 3.22Å; E275-K278 PolarHBondContact O-N 3.13Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 3.06Å; K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 3.1Å |
| 279 | L | 78.1 | Confident | 74.7 | Confident | 110 Ų | 110 | 122.7 Ų | 122.7 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.7 | -45.6 | 175.9 | -75.3 | 173 | 0 | 0 | 0 | 111.8 | E275 R276 E277 K281 R282 A283 | E275-L279 PolarHBondContact O-N 3.02Å; E275-L279 VanDerWaalsContact O-N 3.14Å; R276-L279 PolarHBondContact O-N 3Å; E277-L279 PolarHBondContact O-N 2.85Å; L279-K281 PolarHBondContact O-N 3.22Å; L279-R282 PolarHBondContact O-N 3.31Å; L279-A283 PolarHBondContact O-N 3.28Å |
| 280 | H | 76 | Confident | 74.9 | Confident | 47 Ų | 47 | 122.3 Ų | 122.3 | 22% | 0.218 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -64 | -43.5 | 178.6 | -173.2 | -117.4 | 0 | 0 | 0 | 112.3 | P266 F271 R276 E277 R282 A283 L284 | P266-H280 PolarHBondContact O-CE1 2.82Å; F271-H280 HydrophobicContact CD1-CB 4.48Å; F271-H280 HydrophobicContact CD2-CB 4.31Å; F271-H280 HydrophobicContact CE1-CB 3.67Å; F271-H280 AromaticContact CE1-CG 3.99Å; F271-H280 HydrophobicContact CE2-CB 3.48Å; F271-H280 VanDerWaalsContact CE2-CB 3.48Å; F271-H280 AromaticContact CE2-CG 3.49Å; F271-H280 VanDerWaalsContact CE2-CG 3.49Å; F271-H280 AromaticContact CE2-ND1 3.25Å; F271-H280 VanDerWaalsContact CE2-ND1 3.25Å; F271-H280 WeakPolarHBondContact CE2-ND1 3.5Å; F271-H280 HydrophobicContact CZ-CB 3.13Å; F271-H280 AromaticContact CZ-CD2 3.65Å; F271-H280 AromaticContact CZ-CE1 3.88Å; F271-H280 AromaticContact CZ-CG 3.07Å; F271-H280 AromaticContact CZ-ND1 3.26Å; F271-H280 VanDerWaalsContact CZ-ND1 3.26Å; F271-H280 WeakPolarHBondContact CZ-ND1 3.13Å; R276-H280 PolarHBondContact O-N 3.11Å; E277-H280 PolarHBondContact O-N 2.87Å; H280-R282 VanDerWaalsContact C-N 3.27Å; H280-R282 PolarHBondContact O-N 3.04Å; H280-A283 PolarHBondContact O-N 2.93Å; H280-A283 VanDerWaalsContact O-N 3.16Å; H280-L284 PolarHBondContact O-N 3.22Å |
| 281 | K | 80.1 | Confident | 74.9 | Confident | 119 Ų | 119 | 121.8 Ų | 121.8 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.9 | -33.5 | 175.6 | -158.9 | 171.3 | -167.8 | 164.5 | 0 | 112.2 | E277 L279 K285 | E277-K281 WeakPolarHBondContact O-CB 3.25Å; E277-K281 PolarHBondContact O-N 3.15Å; L279-K281 PolarHBondContact O-N 3.22Å; K281-K285 WeakPolarHBondContact O-CG 3.23Å; K281-K285 PolarHBondContact O-N 3.39Å |
| 282 | R | 81.9 | Confident | 74.7 | Confident | 169 Ų | 169 | 124.5 Ų | 124.5 | 64% | 0.638 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.6 | -40.1 | 174.5 | -157 | 177.7 | -171 | -179.6 | 1.6 | 111.4 | K278 L279 H280 K285 M286 | K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 3.1Å; L279-R282 PolarHBondContact O-N 3.31Å; H280-R282 VanDerWaalsContact C-N 3.27Å; H280-R282 PolarHBondContact O-N 3.04Å; R282-K285 PolarHBondContact O-N 3.38Å; R282-M286 WeakPolarHBondContact O-CG 3.44Å; R282-M286 PolarHBondContact O-N 3.32Å |
| 283 | A | 81.8 | Confident | 74 | Confident | 49 Ų | 49 | 124.9 Ų | 124.9 | 41% | 0.405 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L279 H280 K285 M286 K287 | L279-A283 PolarHBondContact O-N 3.28Å; H280-A283 PolarHBondContact O-N 2.93Å; H280-A283 VanDerWaalsContact O-N 3.16Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 2.65Å; A283-M286 PolarHBondContact O-N 3.23Å; A283-K287 PolarHBondContact O-N 3.05Å |
| 284 | L | 80.1 | Confident | 72.6 | Confident | 62 Ų | 62 | 130.1 Ų | 130.1 | 33% | 0.325 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59.6 | -41.2 | 174.4 | -76.6 | 168.7 | 0 | 0 | 0 | 111.9 | H280 K287 R288 | H280-L284 PolarHBondContact O-N 3.22Å; L284-K287 PolarHBondContact O-N 3.04Å; L284-R288 WeakPolarHBondContact O-CG 3.45Å; L284-R288 PolarHBondContact O-N 3.07Å |
| 285 | K | 82.6 | Confident | 71.1 | Confident | 141 Ų | 141 | 129.2 Ų | 129.2 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.1 | -37.3 | 175.4 | -75.4 | 178.2 | 179.3 | -175.4 | 0 | 112.7 | K281 R282 A283 K289 | K281-K285 WeakPolarHBondContact O-CG 3.23Å; K281-K285 PolarHBondContact O-N 3.39Å; R282-K285 PolarHBondContact O-N 3.38Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 2.65Å; K285-K289 PolarHBondContact O-N 3.05Å |
| 286 | M | 77.7 | Confident | 69.1 | Low | 127 Ų | 127 | 129 Ų | 129 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.3 | -41.9 | 176.6 | -64.6 | -100.8 | -144.4 | 0 | 0 | 111.7 | R282 A283 K289 S290 | R282-M286 WeakPolarHBondContact O-CG 3.44Å; R282-M286 PolarHBondContact O-N 3.32Å; A283-M286 PolarHBondContact O-N 3.23Å; M286-K289 PolarHBondContact O-N 3.31Å; M286-S290 PolarHBondContact O-N 2.91Å; M286-S290 PolarHBondContact O-OG 3.1Å; M286-S290 VanDerWaalsContact O-OG 3.11Å |
| 287 | K | 78.8 | Confident | 67.4 | Low | 154 Ų | 154 | 128.3 Ų | 128.3 | 67% | 0.67 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.9 | -41.8 | 175.8 | -76.2 | -175.4 | 174.6 | -178 | 0 | 112.1 | A283 L284 K289 S290 | A283-K287 PolarHBondContact O-N 3.05Å; L284-K287 PolarHBondContact O-N 3.04Å; K287-K289 VanDerWaalsContact C-N 3.27Å; K287-K289 PolarHBondContact O-N 3Å; K287-S290 PolarHBondContact O-N 3.02Å; K287-S290 PolarHBondContact O-OG 2.96Å |
| 288 | R | 75.8 | Confident | 65.7 | Low | 195 Ų | 195 | 129.5 Ų | 129.5 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.4 | -29.5 | 176.3 | -69.6 | 176.4 | 82.4 | 144.1 | 3.9 | 113.2 | L284 | L284-R288 WeakPolarHBondContact O-CG 3.45Å; L284-R288 PolarHBondContact O-N 3.07Å |
| 289 | K | 72 | Confident | 64.1 | Low | 169 Ų | 169 | 125.6 Ų | 125.6 | 74% | 0.735 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.8 | -26 | -179.2 | -130 | 176 | -178.1 | -175.3 | 0 | 113.6 | K285 M286 K287 | K285-K289 PolarHBondContact O-N 3.05Å; M286-K289 PolarHBondContact O-N 3.31Å; K287-K289 VanDerWaalsContact C-N 3.27Å; K287-K289 PolarHBondContact O-N 3Å |
| 290 | S | 67.1 | Low | 62.6 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.9 | -24.7 | 179.2 | 37.2 | 0 | 0 | 0 | 0 | 113.2 | M286 K287 T292 | M286-S290 PolarHBondContact O-N 2.91Å; M286-S290 PolarHBondContact O-OG 3.1Å; M286-S290 VanDerWaalsContact O-OG 3.11Å; K287-S290 PolarHBondContact O-N 3.02Å; K287-S290 PolarHBondContact O-OG 2.96Å; S290-T292 VanDerWaalsContact C-N 3.35Å; S290-T292 PolarHBondContact O-N 2.91Å |
| 291 | Q | 61.4 | Low | 61 | Low | 177 Ų | 177 | 134.3 Ų | 134.3 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -10.4 | 177.9 | -103.3 | 178.6 | -0.5 | 0 | 0 | 115.4 | ||
| 292 | T | 54.7 | Low | 59.2 | Low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 4.6 | -174.4 | -50 | 0 | 0 | 0 | 0 | 114 | S290 | S290-T292 VanDerWaalsContact C-N 3.35Å; S290-T292 PolarHBondContact O-N 2.91Å |
| 293 | L | 52.8 | Low | 57.2 | Low | 140 Ų | 140 | 133.1 Ų | 133.1 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | trans | -122.2 | 77.2 | -176.6 | -69.1 | 166.8 | 0 | 0 | 0 | 110.7 | ||||
| 294 | E | 40.2 | Very low | 55.6 | Low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -123.1 | 132.1 | 159.4 | -77.1 | -61.6 | 140.7 | 0 | 0 | 109.6 | ||||
| 295 | P | 45.2 | Very low | 53.7 | Low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -89.3 | 137.8 | -163.2 | 3.9 | 16.9 | 0 | 0 | 0 | 112.3 | ||||
| 296 | T | 34.6 | Very low | 51.6 | Low | 133 Ų | 133 | 144.6 Ų | 144.6 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -67.3 | 130.8 | 177.8 | -42.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 297 | N | 40.1 | Very low | 49.9 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -153.5 | 144.6 | 159.5 | -90.9 | -37.9 | 0 | 0 | 0 | 110.2 | ||||
| 298 | S | 41.3 | Very low | 48.5 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | 86.3 | 136.2 | -179.6 | 85.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 299 | A | 44.3 | Very low | 46.9 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | cis | -167 | 143 | -8.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 300 | Q | 46.8 | Very low | 45.9 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 61.6 | 112.9 | 137.5 | -64.2 | 171.7 | -19.1 | 0 | 0 | 120.6 | ||||
| 301 | M | 42.4 | Very low | 44.6 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | 79.3 | 129 | 97.7 | -59.5 | -103.2 | 81.5 | 0 | 0 | 112.9 | |||||
| 302 | L | 41.8 | Very low | 44.1 | Very low | 138 Ų | 138 | 150.5 Ų | 150.5 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | -177.5 | 133.5 | 68.3 | -169.3 | 68.4 | 0 | 0 | 0 | 113.3 | |||||
| 303 | N | 40.8 | Very low | 43.7 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | 50.7 | 123.3 | 147 | -63.1 | -15.2 | 0 | 0 | 0 | 124.6 | ||||
| 304 | Q | 46.3 | Very low | 43.5 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | -160.1 | 148.2 | 102.2 | -100.2 | -178.5 | 62 | 0 | 0 | 112.1 | |||||
| 305 | P | 40.3 | Very low | 43.8 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | trans | -119 | 158.9 | -162.1 | 39.3 | -24.6 | 0 | 0 | 0 | 116.9 | ||||
| 306 | K | 38.8 | Very low | 43.5 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | 70.7 | 113.6 | 150.2 | -69.7 | 170.9 | -176.3 | -177.2 | 0 | 120.5 | ||||
| 307 | K | 42.5 | Very low | 43.9 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | 173.1 | 110.6 | 118.3 | -93.9 | 172.4 | -178 | -175.6 | 0 | 109.4 | |||||
| 308 | Q | 49 | Very low | 44 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 77.4 | 110.9 | 108 | -90 | -175.6 | -49.8 | 0 | 0 | 115.7 | |||||
| 309 | D | 43 | Very low | 44.3 | Very low | 123 Ų | 123 | 148 Ų | 148 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | 84 | 126 | 131.4 | -65.1 | -32.6 | 0 | 0 | 0 | 122 | ||||
| 310 | Q | 50.2 | Low | 44.4 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 72.3 | 97.6 | 148.8 | -65.8 | 177.2 | 56 | 0 | 0 | 118.5 | ||||
| 311 | R | 40.8 | Very low | 44 | Very low | 257 Ų | 257 | 154.2 Ų | 154.2 | 97% | 0.97 | 77% | 0.774 | S | S | * | * | trans | -113.8 | 91.1 | 149.1 | -73 | -170.6 | -179.9 | -174.8 | 0.8 | 109.8 | ||||
| 312 | H | 50.4 | Low | 44.1 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -80.2 | 150.7 | 162 | -83.6 | -79.5 | 0 | 0 | 0 | 111 | ||||
| 313 | S | 46.4 | Very low | 44.2 | Very low | 111 Ų | 111 | 157.6 Ų | 157.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 66.1 | 99 | 153 | 58.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 314 | K | 49.2 | Very low | 44.3 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | 9.7 | 147.8 | 117.6 | -75.4 | -174.1 | -176.3 | -179.9 | 0 | 117.4 | |||||
| 315 | P | 45.5 | Very low | 43.9 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -150.6 | 160.7 | 69.8 | 36.8 | -14.9 | 0 | 0 | 0 | 119.3 | |||||
| 316 | S | 38.2 | Very low | 44 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -58.5 | 138.1 | 164.5 | 162.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 317 | F | 44.1 | Very low | 44.2 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -145.3 | 104.6 | 150.9 | -96 | -81.7 | 0 | 0 | 0 | 110.3 | V319 | F317-V319 HydrophobicContact CD1-CG2 3.98Å; F317-V319 HydrophobicContact CE1-CG2 4.42Å | ||
| 318 | G | 41.5 | Very low | 44.2 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -99.1 | 125.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 319 | V | 48.8 | Very low | 44 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | -149.2 | 110.6 | 163.8 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | F317 | F317-V319 HydrophobicContact CD1-CG2 3.98Å; F317-V319 HydrophobicContact CE1-CG2 4.42Å | ||
| 320 | K | 46 | Very low | 44.2 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 15.8 | 129.8 | 136.8 | -59.5 | 175.2 | -179.3 | 176.3 | 0 | 120 | ||||
| 321 | K | 38.8 | Very low | 44.3 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 14 | 133.9 | 135.6 | -66.4 | 179.9 | 176.3 | -180 | 0 | 117.1 | ||||
| 322 | H | 43.2 | Very low | 44.6 | Very low | 195 Ų | 195 | 140 Ų | 140 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | -165.8 | 135.5 | 119.9 | -97 | -74 | 0 | 0 | 0 | 110.9 | |||||
| 323 | Q | 44.7 | Very low | 44.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -62.1 | 146.4 | 164.4 | -68.6 | 165.2 | 0.4 | 0 | 0 | 109.8 | ||||
| 324 | T | 42.6 | Very low | 44 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 171.2 | 140.8 | 116.7 | 39.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 325 | A | 38.6 | Very low | 43.6 | Very low | 83 Ų | 83 | 144.6 Ų | 144.6 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 146 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 326 | F | 42.3 | Very low | 43.4 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -161 | 107.1 | 142.9 | -60 | -71.4 | 0 | 0 | 0 | 106.4 | ||||
| 327 | A | 42.2 | Very low | 43.6 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | 68.4 | 116.3 | 92.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 328 | S | 43.3 | Very low | 43.2 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 122.8 | 133.2 | 130.1 | 84.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 329 | C | 43.6 | Very low | 43.3 | Very low | 116 Ų | 116 | 145 Ų | 145 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 61 | 130 | 161 | 95.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 330 | V | 47.1 | Very low | 42.8 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | -147.4 | 148.5 | 59.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 331 | Q | 53.7 | Low | 42.7 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -110.5 | -173.8 | -169.9 | -114.4 | -138.4 | 23.4 | 0 | 0 | 110.5 | ||||
| 332 | P | 47 | Very low | 42.9 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 58% | 0.578 | 80% | 0.798 | S | S | * | * | -124 | -166.2 | -107.9 | 28.2 | -2 | 0 | 0 | 0 | 112.3 | |||||
| 333 | I | 42.5 | Very low | 42.6 | Very low | 174 Ų | 174 | 143 Ų | 143 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | -153.7 | 127.7 | 149.5 | -101.9 | 148.7 | 0 | 0 | 0 | 110.8 | ||||
| 334 | D | 40.7 | Very low | 42.4 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | -81.3 | 153.7 | 179.1 | -68.7 | -65.3 | 0 | 0 | 0 | 114.5 | ||||
| 335 | R | 40.4 | Very low | 42 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | 168.8 | 146.7 | 131.9 | -104.2 | 178.9 | 171.1 | 146.7 | -1.4 | 110 | ||||
| 336 | A | 42.8 | Very low | 41.8 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | cis | 177.5 | 141.2 | -27.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 337 | G | 40.6 | Very low | 41.7 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 93.3 | 116.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 338 | G | 36.5 | Very low | 41.4 | Very low | 64 Ų | 64 | 143.9 Ų | 143.9 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | cis | 101 | 92.8 | 8.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 339 | Y | 43.4 | Very low | 41.2 | Very low | 239 Ų | 239 | 150 Ų | 150 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -152.6 | 127.6 | 150 | -79.3 | -69.3 | 0 | 0 | 0 | 110.5 | ||||
| 340 | S | 37.6 | Very low | 40.8 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -126.7 | 134.9 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 341 | Y | 45.6 | Very low | 40.3 | Very low | 211 Ų | 211 | 149.6 Ų | 149.6 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -154.7 | 106.6 | 155.8 | -90.2 | -79.5 | 0 | 0 | 0 | 106 | ||||
| 342 | Q | 41.9 | Very low | 39.9 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | 79.9 | 108.6 | 78.2 | -165.4 | 170.3 | 0.2 | 0 | 0 | 113.4 | |||||
| 343 | Q | 36.7 | Very low | 39.2 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -54.8 | 150.9 | 173.6 | -69.8 | 170.4 | -0 | 0 | 0 | 113.6 | ||||
| 344 | Q | 40.8 | Very low | 39.2 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -157.8 | 137.2 | 135.2 | -110.3 | 160.4 | 74.6 | 0 | 0 | 112.7 | ||||
| 345 | S | 34 | Very low | 39.5 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -86.7 | 147.5 | -173.5 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 346 | C | 35.1 | Very low | 39.6 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 91% | 0.905 | 81% | 0.813 | S | S | * | * | trans | 168.1 | 143.2 | 136.6 | 54.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 347 | G | 40.4 | Very low | 39.2 | Very low | 61 Ų | 61 | 150.8 Ų | 150.8 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | cis | 140.4 | 118.1 | 18.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 348 | F | 35.1 | Very low | 39.1 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | 60.5 | 115 | 158.6 | -74.2 | -92.5 | 0 | 0 | 0 | 119.8 | ||||
| 349 | R | 40.2 | Very low | 39.5 | Very low | 241 Ų | 241 | 157.4 Ų | 157.4 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | 174.1 | 142 | 100.8 | -90.7 | 177.3 | -171.9 | -93.5 | -1.9 | 112.7 | |||||
| 350 | S | 33.8 | Very low | 39.2 | Very low | 126 Ų | 126 | 157.1 Ų | 157.1 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -59.2 | 142 | -178.2 | -52 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 351 | C | 38.3 | Very low | 39.5 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -157.5 | 119.2 | 140.3 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 352 | M | 44.1 | Very low | 39.3 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | 53.6 | 118.1 | 144.1 | -53.4 | -53 | -134.1 | 0 | 0 | 122.6 | ||||
| 353 | L | 32.5 | Very low | 39.5 | Very low | 151 Ų | 151 | 159 Ų | 159 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -39.2 | 123.6 | 162.3 | -135.3 | 89.7 | 0 | 0 | 0 | 114.3 | Q355 | L353-Q355 HydrophobicContact CD2-CG 4.29Š| ||
| 354 | I | 41.8 | Very low | 40.2 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -129.7 | 105.3 | 156.3 | -60.5 | 178.8 | 0 | 0 | 0 | 106.5 | ||||
| 355 | Q | 47.2 | Very low | 40.4 | Very low | 163 Ų | 163 | 153 Ų | 153 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -85.1 | 132.1 | 172.2 | -74.2 | -177.1 | -19.2 | 0 | 0 | 109.5 | L353 | L353-Q355 HydrophobicContact CD2-CG 4.29Š| ||
| 356 | P | 43.6 | Very low | 41.2 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -79 | 128.1 | 170.2 | 30.6 | -28.7 | 0 | 0 | 0 | 110.4 | N358 | P356-N358 PolarHBondContact O-N 2.53Š| ||
| 357 | L | 34.9 | Very low | 41.8 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -55.4 | 106 | 174.5 | -170.6 | 74.4 | 0 | 0 | 0 | 111.6 | ||||
| 358 | N | 38.7 | Very low | 41.9 | Very low | 142 Ų | 142 | 159 Ų | 159 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -156.9 | 99.8 | 163.7 | -82.7 | -38.9 | 0 | 0 | 0 | 109 | P356 | P356-N358 PolarHBondContact O-N 2.53Š| ||
| 359 | H | 43.8 | Very low | 42.3 | Very low | 145 Ų | 145 | 157.5 Ų | 157.5 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | trans | -155.9 | 118.7 | 165.4 | -163.1 | 35.6 | 0 | 0 | 0 | 112.8 | D361 | H359-D361 WeakPolarHBondContact CE1-CB 3.36Å; H359-D361 IonicContact CE1-OD1 2.83Å; H359-D361 PolarHBondContact CE1-OD1 3.02Å; H359-D361 VanDerWaalsContact CE1-OD1 3.27Å; H359-D361 IonicContact CE1-OD2 3.72Å; H359-D361 PolarHBondContact CE1-OD2 3.33Å; H359-D361 IonicContact ND1-OD1 3.93Å; H359-D361 IonicContact ND1-OD2 2.69Å; H359-D361 VanDerWaalsContact NE2-CB 3.25Å; H359-D361 WeakPolarHBondContact NE2-CB 2.97Å; H359-D361 VanDerWaalsContact NE2-CG 3.29Å; H359-D361 IonicContact NE2-OD2 3.77Å; H359-D361 PolarHBondContact NE2-OD2 2.7Å; H359-D361 VanDerWaalsContact NE2-OD2 3.16Å | ||
| 360 | W | 37.9 | Very low | 42.2 | Very low | 233 Ų | 233 | 157.5 Ų | 157.5 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -106.6 | 50.7 | 173 | -38.6 | 71.4 | 0 | 0 | 0 | 108.7 | ||||
| 361 | D | 44.3 | Very low | 42.8 | Very low | 118 Ų | 118 | 159 Ų | 159 | 63% | 0.631 | 81% | 0.805 | S | S | * | * | trans | -100 | 104.7 | 168.2 | -78.7 | 6.1 | 0 | 0 | 0 | 109.4 | H359 | H359-D361 WeakPolarHBondContact CE1-CB 3.36Å; H359-D361 IonicContact CE1-OD1 2.83Å; H359-D361 PolarHBondContact CE1-OD1 3.02Å; H359-D361 VanDerWaalsContact CE1-OD1 3.27Å; H359-D361 IonicContact CE1-OD2 3.72Å; H359-D361 PolarHBondContact CE1-OD2 3.33Å; H359-D361 IonicContact ND1-OD1 3.93Å; H359-D361 IonicContact ND1-OD2 2.69Å; H359-D361 VanDerWaalsContact NE2-CB 3.25Å; H359-D361 WeakPolarHBondContact NE2-CB 2.97Å; H359-D361 VanDerWaalsContact NE2-CG 3.29Å; H359-D361 IonicContact NE2-OD2 3.77Å; H359-D361 PolarHBondContact NE2-OD2 2.7Å; H359-D361 VanDerWaalsContact NE2-OD2 3.16Å | ||
| 362 | M | 39.7 | Very low | 42.8 | Very low | 189 Ų | 189 | 160.7 Ų | 160.7 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | trans | -115.3 | 66.2 | 160.6 | -158.3 | -179.8 | 137.8 | 0 | 0 | 108.6 | ||||
| 363 | Y | 47.5 | Very low | 42.4 | Very low | 209 Ų | 209 | 157.8 Ų | 157.8 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -123.3 | 131.9 | 154.4 | -88.2 | -83.1 | 0 | 0 | 0 | 107.6 | S365 | Y363-S365 PolarHBondContact O-N 3.38Š|
| 364 | P | 50.9 | Low | 43 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 98 | 176.8 | 28.8 | -30.1 | 0 | 0 | 0 | 109.1 | V366 | P364-V366 PolarHBondContact O-N 3.08Š| ||
| 365 | S | 45.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 159.8 Ų | 159.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 115.5 | 166.9 | -82.1 | 0 | 0 | 0 | 0 | 109.6 | Y363 Q367 | Y363-S365 PolarHBondContact O-N 3.38Å; S365-Q367 PolarHBondContact O-N 2.78Å | ||
| 366 | V | 50.5 | Low | 42.6 | Very low | 141 Ų | 141 | 155.3 Ų | 155.3 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 117.2 | 167.9 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | P364 | P364-V366 PolarHBondContact O-N 3.08Š| ||
| 367 | Q | 46.5 | Very low | 42.7 | Very low | 176 Ų | 176 | 158 Ų | 158 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -67.5 | 131.7 | 178 | -67.8 | -178.8 | -19.3 | 0 | 0 | 111.4 | S365 | S365-Q367 PolarHBondContact O-N 2.78Š| ||
| 368 | P | 43.6 | Very low | 42.9 | Very low | 117 Ų | 117 | 157 Ų | 157 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -92.9 | 113.2 | 156.3 | 15 | 2.1 | 0 | 0 | 0 | 109.5 | R370 | P368-R370 PolarHBondContact O-N 3.25Š| ||
| 369 | Q | 43.7 | Very low | 43.3 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -58.3 | 119.8 | 164.8 | -94.2 | -168.5 | -53.3 | 0 | 0 | 110 | ||||
| 370 | R | 38.1 | Very low | 42.8 | Very low | 241 Ų | 241 | 162.6 Ų | 162.6 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -119.7 | 102.8 | 158.6 | -77.5 | -87.3 | -172.4 | 176.5 | -0.5 | 107.2 | P368 | P368-R370 PolarHBondContact O-N 3.25Š| ||
| 371 | Q | 45.3 | Very low | 43.2 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -108.9 | 125.3 | 161 | -78.6 | -170.1 | -12.5 | 0 | 0 | 109.5 | ||||
| 372 | N | 38.9 | Very low | 43.3 | Very low | 152 Ų | 152 | 155.4 Ų | 155.4 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 67.2 | 111.6 | 146 | -63.3 | -10.3 | 0 | 0 | 0 | 120.9 | ||||
| 373 | S | 36.2 | Very low | 43.8 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -55.1 | 122.4 | 157.1 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 374 | T | 43.8 | Very low | 44.6 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -151 | 117.5 | 146.2 | -64.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 375 | Y | 40.5 | Very low | 44.9 | Very low | 224 Ų | 224 | 151.8 Ų | 151.8 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | 17.5 | 121.3 | 147.2 | -104.5 | -104.4 | 0 | 0 | 0 | 118.5 | ||||
| 376 | G | 40.4 | Very low | 44.8 | Very low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 159.1 | 89.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 377 | H | 45.4 | Very low | 44.9 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | 0.5 | 131.2 | 156.3 | -57.2 | -76.2 | 0 | 0 | 0 | 121 | ||||
| 378 | N | 39.3 | Very low | 44.8 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -30.6 | 128.4 | 162 | -52.6 | -43.8 | 0 | 0 | 0 | 115.9 | ||||
| 379 | I | 46.7 | Very low | 44.7 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -155.9 | 119.9 | 136.6 | -57.6 | -168.3 | 0 | 0 | 0 | 108.3 | ||||
| 380 | W | 34.4 | Very low | 44.9 | Very low | 239 Ų | 239 | 152 Ų | 152 | 91% | 0.905 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 147.5 | 167.4 | -81.9 | 68.5 | 0 | 0 | 0 | 110.3 | ||||
| 381 | P | 46.7 | Very low | 45.3 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | -153.2 | 151.7 | 104 | 33.8 | -13.7 | 0 | 0 | 0 | 117.2 | |||||
| 382 | S | 46.4 | Very low | 46.2 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | 70.5 | 110.2 | 135.8 | -62.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 383 | Y | 49.2 | Very low | 46.5 | Very low | 215 Ų | 215 | 151 Ų | 151 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 46.6 | 128.3 | 147.1 | -57.1 | -79.9 | 0 | 0 | 0 | 121.6 | ||||
| 384 | P | 65.4 | Low | 47.5 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 154 | 167.7 | 36.1 | -31.4 | 0 | 0 | 0 | 112.1 | ||
| 385 | P | 56.5 | Low | 48.3 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 143.9 | 173.8 | 33.1 | -31 | 0 | 0 | 0 | 111.6 | ||
| 386 | T | 44 | Very low | 49.1 | Very low | 145 Ų | 145 | 152 Ų | 152 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 125.4 | 166.5 | 23.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 387 | V | 51.8 | Low | 50 | Low | 136 Ų | 136 | 155.9 Ų | 155.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -125.8 | 129.5 | 157.3 | -178.9 | 0 | 0 | 0 | 0 | 108 | N389 | V387-N389 PolarHBondContact O-N 2.93Š| ||
| 388 | Q | 44.6 | Very low | 51 | Low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -59.2 | 124.3 | -174.4 | -70.1 | 162.7 | -60.1 | 0 | 0 | 111.9 | ||||
| 389 | N | 42 | Very low | 52.2 | Low | 137 Ų | 137 | 154.1 Ų | 154.1 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -87.5 | 107.8 | 163.6 | -112.7 | 1.1 | 0 | 0 | 0 | 108.7 | V387 Y391 | V387-N389 PolarHBondContact O-N 2.93Å; N389-Y391 HydrophobicContact CB-CE2 4.38Å; N389-Y391 PolarHBondContact O-N 3.37Å | ||
| 390 | S | 47 | Very low | 53.1 | Low | 119 Ų | 119 | 150.8 Ų | 150.8 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -80.1 | 98.8 | 169.6 | -58.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 391 | Y | 47.6 | Very low | 54.5 | Low | 194 Ų | 194 | 145.5 Ų | 145.5 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 140.5 | 165.4 | -79.6 | -85.2 | 0 | 0 | 0 | 109.8 | N389 Y393 | N389-Y391 HydrophobicContact CB-CE2 4.38Å; N389-Y391 PolarHBondContact O-N 3.37Å; Y391-Y393 PolarHBondContact O-N 3.3Å |
| 392 | P | 63.1 | Low | 55.2 | Low | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 121.1 | 173.4 | 28.8 | -30.3 | 0 | 0 | 0 | 109.1 | I394 | P392-I394 PolarHBondContact O-N 3.07Š|
| 393 | Y | 45.4 | Very low | 55.6 | Low | 219 Ų | 219 | 148.6 Ų | 148.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.7 | 174.2 | -153.3 | -95.8 | 0 | 0 | 0 | 108.6 | Y391 P395 | Y391-Y393 PolarHBondContact O-N 3.3Å; Y393-P395 WeakPolarHBondContact O-CD 3.45Å |
| 394 | I | 58.3 | Low | 55.7 | Low | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 119.4 | 169.8 | -60.5 | 174.1 | 0 | 0 | 0 | 106.8 | P392 R396 | P392-I394 PolarHBondContact O-N 3.07Å; I394-R396 PolarHBondContact O-N 2.89Å |
| 395 | P | 60.2 | Low | 54.9 | Low | 107 Ų | 107 | 147.8 Ų | 147.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.5 | 172.4 | -18.5 | 32.1 | 0 | 0 | 0 | 109.3 | Y393 | Y393-P395 WeakPolarHBondContact O-CD 3.45Š|
| 396 | R | 57.6 | Low | 53.9 | Low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.8 | 164.9 | -78.7 | -163.7 | -179.9 | -158.1 | 2 | 108.5 | I394 | I394-R396 PolarHBondContact O-N 2.89Š|
| 397 | D | 58.1 | Low | 54.1 | Low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 138.2 | 171.5 | -68.8 | -52.9 | 0 | 0 | 0 | 111.4 | M399 | D397-M399 PolarHBondContact O-N 3.14Š|
| 398 | P | 67.1 | Low | 53.6 | Low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 123 | 175.8 | 27.2 | -30.1 | 0 | 0 | 0 | 110.2 | ||
| 399 | M | 63.7 | Low | 54.3 | Low | 162 Ų | 162 | 150.2 Ų | 150.2 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.7 | 174.2 | -160.8 | 176.1 | 76.3 | 0 | 0 | 110.8 | D397 | D397-M399 PolarHBondContact O-N 3.14Š|
| 400 | P | 67.2 | Low | 54.5 | Low | 95 Ų | 95 | 151.7 Ų | 151.7 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145.4 | 174.9 | 27.3 | -32.8 | 0 | 0 | 0 | 111.2 | Q402 | P400-Q402 PolarHBondContact O-N 3Š|
| 401 | P | 63.7 | Low | 54.7 | Low | 128 Ų | 128 | 151.6 Ų | 151.6 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 127.7 | -174.8 | 27.3 | -32 | 0 | 0 | 0 | 111.8 | ||
| 402 | Q | 60.5 | Low | 55 | Low | 148 Ų | 148 | 152 Ų | 152 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 142.1 | 168.5 | -66.7 | -74.2 | -34.5 | 0 | 0 | 109.8 | P400 | P400-Q402 PolarHBondContact O-N 3Š|
| 403 | P | 54.4 | Low | 54.6 | Low | 118 Ų | 118 | 155.1 Ų | 155.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 121.8 | 178.8 | 30.8 | -30.1 | 0 | 0 | 0 | 110.7 | ||
| 404 | F | 52.8 | Low | 54.7 | Low | 195 Ų | 195 | 149.1 Ų | 149.1 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 140.4 | 170.5 | -73.4 | -78.2 | 0 | 0 | 0 | 111.3 | ||
| 405 | P | 47.2 | Very low | 54.2 | Low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 148.9 | 177.8 | 31.8 | -31.4 | 0 | 0 | 0 | 112.9 | ||
| 406 | C | 35.4 | Very low | 53.7 | Low | 101 Ų | 101 | 155.9 Ų | 155.9 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | -30.1 | 138.7 | 178 | -52.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 407 | H | 48 | Very low | 53.3 | Low | 195 Ų | 195 | 153.7 Ų | 153.7 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | -136.2 | 121.9 | 143.5 | -98.1 | 38.5 | 0 | 0 | 0 | 109 | ||||
| 408 | Y | 42.4 | Very low | 52.7 | Low | 214 Ų | 214 | 152 Ų | 152 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 145.1 | 179.8 | -80.5 | -98.8 | 0 | 0 | 0 | 112 | ||
| 409 | P | 59.3 | Low | 52 | Low | 122 Ų | 122 | 151.9 Ų | 151.9 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 140 | 154.8 | -0.6 | 20.4 | 0 | 0 | 0 | 110.9 | ||
| 410 | L | 46.1 | Very low | 51.2 | Low | 168 Ų | 168 | 154.8 Ų | 154.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53 | 150.8 | 177.3 | -83.3 | 142.7 | 0 | 0 | 0 | 114.2 | ||
| 411 | P | 51.2 | Low | 50.9 | Low | 117 Ų | 117 | 155 Ų | 155 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 144.8 | -180 | 34.5 | -30 | 0 | 0 | 0 | 113 | ||
| 412 | E | 52.8 | Low | 50.8 | Low | 202 Ų | 202 | 153.5 Ų | 153.5 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 136.6 | 164.8 | -77.8 | -174.1 | 154.3 | 0 | 0 | 110.8 | ||
| 413 | E | 55.2 | Low | 50.5 | Low | 182 Ų | 182 | 157.4 Ų | 157.4 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 164.4 | -173.7 | -90.3 | -100.4 | 145.4 | 0 | 0 | 114.8 | ||
| 414 | P | 48.4 | Very low | 50.6 | Low | 92 Ų | 92 | 155.2 Ų | 155.2 | 60% | 0.597 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 154.1 | -152.9 | 38 | -31.2 | 0 | 0 | 0 | 114.6 | ||
| 415 | Y | 46.1 | Very low | 50.9 | Low | 235 Ų | 235 | 152 Ų | 152 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | -89.2 | 108.3 | 161 | -77.3 | -85.4 | 0 | 0 | 0 | 110 | ||||
| 416 | Q | 50.6 | Low | 51 | Low | 162 Ų | 162 | 158.2 Ų | 158.2 | 76% | 0.757 | 82% | 0.822 | S | S | * | * | trans | -73.7 | 128.6 | 163.3 | -68.3 | -162.5 | -1.9 | 0 | 0 | 109.9 | ||||
| 417 | Q | 48.5 | Very low | 51.8 | Low | 197 Ų | 197 | 161.1 Ų | 161.1 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -125 | 111.1 | 156.6 | -139.9 | 164.8 | 10.6 | 0 | 0 | 108.5 | ||||
| 418 | N | 46 | Very low | 52 | Low | 118 Ų | 118 | 159.3 Ų | 159.3 | 63% | 0.631 | 83% | 0.825 | S | S | * | * | trans | -65.6 | 131.2 | -174.6 | -61.3 | -35.8 | 0 | 0 | 0 | 111.4 | ||||
| 419 | S | 53.3 | Low | 52.5 | Low | 120 Ų | 120 | 156.3 Ų | 156.3 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -143.1 | 103.2 | 142.3 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 420 | W | 47.2 | Very low | 52.1 | Low | 224 Ų | 224 | 158.3 Ų | 158.3 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -63.5 | 154.9 | 161.2 | -68.3 | 33.6 | 0 | 0 | 0 | 107 | ||||
| 421 | S | 59.9 | Low | 52.5 | Low | 98 Ų | 98 | 157.7 Ų | 157.7 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | cis | -175.4 | -177.3 | 23 | -129.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 422 | P | 61.5 | Low | 52.6 | Low | 97 Ų | 97 | 160.4 Ų | 160.4 | 63% | 0.63 | 83% | 0.827 | S | S | * | * | trans | -109.5 | 173.9 | -132.8 | 26.8 | -3.9 | 0 | 0 | 0 | 112.5 | ||||
| 423 | Y | 54.8 | Low | 52.6 | Low | 230 Ų | 230 | 157.4 Ų | 157.4 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | 172 | 106.3 | 132.5 | -93.7 | -69.1 | 0 | 0 | 0 | 109.7 | ||||
| 424 | G | 55.1 | Low | 52.4 | Low | 73 Ų | 73 | 155.5 Ų | 155.5 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | 73.9 | 148.7 | 127.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 425 | P | 59.2 | Low | 52.7 | Low | 128 Ų | 128 | 160.8 Ų | 160.8 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | trans | -107.2 | 154.7 | -150.5 | 38.1 | -27.3 | 0 | 0 | 0 | 114.5 | ||||
| 426 | L | 50.4 | Low | 53.3 | Low | 248 Ų | 248 | 154.1 Ų | 154.1 | 100% | 1.298 | 83% | 0.827 | S | S | * | * | trans | -144.4 | 0 | 131.4 | -104.5 | 169.5 | 0 | 0 | 0 | 108.6 |
Retrieved 426 of 426 residues in 449.1 ms
(Link to these results)