| 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 | 36.9 | Very low | 37.9 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 100% | 1.172 | 84% | 0.842 | S | S | * | * | 0 | 121.6 | 0 | -148.4 | 71.3 | 165 | 0 | 0 | 107.2 | |||||
| 2 | F | 38.9 | Very low | 37.4 | Very low | 202 Ų | 202 | 149.6 Ų | 149.6 | 89% | 0.886 | 84% | 0.842 | S | S | * | * | trans | -103 | 172.4 | 167.3 | -80.6 | -66.6 | 0 | 0 | 0 | 107.7 | ||||
| 3 | P | 52.8 | Low | 36.9 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | cis | -134.3 | 175.5 | 13.5 | 41.4 | -24.2 | 0 | 0 | 0 | 117.2 | ||||
| 4 | A | 31.4 | Very low | 36.4 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | trans | -132.7 | 161 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 5 | P | 45.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | trans | -116.2 | -175.7 | -132.5 | 43.1 | -38.9 | 0 | 0 | 0 | 118 | ||||
| 6 | T | 41.2 | Very low | 36.3 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | 64.6 | 113.1 | 158.8 | 50.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 7 | V | 37.2 | Very low | 36.4 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | trans | -147.8 | 139.9 | 144.9 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | E | 40.1 | Very low | 36.1 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -121.3 | 146.7 | 171.9 | -174.7 | 172.6 | -134.1 | 0 | 0 | 109.7 | ||||
| 9 | K | 32.3 | Very low | 35.6 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 81% | 0.809 | 83% | 0.831 | S | S | * | * | trans | -157 | 95.1 | -163.9 | -153.8 | 172 | -173.8 | 178.4 | 0 | 118.8 | ||||
| 10 | V | 31.7 | Very low | 36 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | trans | 23 | 126.4 | 137 | -173 | 0 | 0 | 0 | 0 | 121.7 | V12 | V10-V12 HydrophobicContact CG1-CG2 4.38Š| ||
| 11 | S | 28.4 | Very low | 35.6 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | 178.1 | 132.4 | 127.7 | 35.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 12 | V | 32.9 | Very low | 35.5 | Very low | 138 Ų | 138 | 136 Ų | 136 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | cis | 104.8 | 101.9 | 43 | 167.9 | 0 | 0 | 0 | 0 | 112.7 | V10 | V10-V12 HydrophobicContact CG1-CG2 4.38Š| ||
| 13 | A | 29.8 | Very low | 35.1 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -178.1 | 161.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 14 | A | 30.9 | Very low | 34 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | cis | -165.3 | 166.2 | -28.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 15 | T | 34.3 | Very low | 34 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -118.1 | 148.7 | -177.6 | -34.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 16 | P | 36.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -128.9 | 153.3 | 147.3 | 36.9 | -25.6 | 0 | 0 | 0 | 113.8 | ||||
| 17 | Q | 38 | Very low | 32.9 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -108.2 | 159.9 | 161.2 | -63.9 | -165.9 | 60.3 | 0 | 0 | 109.3 | ||||
| 18 | I | 31.8 | Very low | 32.6 | Very low | 171 Ų | 171 | 138 Ų | 138 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -169.6 | 150.4 | 154 | -102.7 | 148.1 | 0 | 0 | 0 | 111.5 | ||||
| 19 | I | 26.6 | Very low | 32.2 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -155 | 152.8 | -173.4 | -79.9 | 177.9 | 0 | 0 | 0 | 105.7 | ||||
| 20 | P | 43.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -129.7 | -173.2 | 8.6 | 39.4 | -21.1 | 0 | 0 | 0 | 116.2 | ||||
| 21 | D | 27.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 77.1 | 148.8 | 141 | -129 | -50.3 | 0 | 0 | 0 | 123.2 | ||||
| 22 | S | 33.7 | Very low | 32.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 62.9 | 156.4 | 154.1 | -69.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 23 | A | 29.9 | Very low | 33 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | cis | -162.7 | 152.1 | -25.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 24 | E | 29.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 52.1 | 140.2 | 142.7 | -65.7 | 176.5 | 164.3 | 0 | 0 | 124.1 | ||||
| 25 | T | 33.1 | Very low | 32.8 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | 75.9 | 111.2 | 150.3 | 51.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 26 | D | 31.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | 81 | 168.7 | 122.6 | -68.2 | -30.3 | 0 | 0 | 0 | 124 | |||||
| 27 | L | 30.9 | Very low | 32.2 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 81.2 | 125.6 | -171.1 | -51.2 | -179.6 | 0 | 0 | 0 | 113.3 | ||||
| 28 | L | 30.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | cis | -138.9 | 146.3 | 19.2 | -69.1 | 165.8 | 0 | 0 | 0 | 113.9 | ||||
| 29 | L | 33 | Very low | 31.9 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 170.2 | 157.3 | -77.4 | 169.1 | 0 | 0 | 0 | 110.9 | ||||
| 30 | P | 37.2 | Very low | 32.1 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | -142.7 | 154.7 | 120.4 | 38 | -25.9 | 0 | 0 | 0 | 117.2 | |||||
| 31 | S | 28.6 | Very low | 31.4 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 71.1 | 99.3 | 154.2 | 35.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 32 | N | 27.4 | Very low | 31.7 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -45.5 | 178.9 | 148 | -100.4 | -28.2 | 0 | 0 | 0 | 116.5 | ||||
| 33 | P | 47.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -141.5 | 164.2 | -23 | 35.7 | -18.2 | 0 | 0 | 0 | 115.9 | ||||
| 34 | L | 26.7 | Very low | 32 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -158.3 | 154.8 | 130.8 | -158.5 | 59.1 | 0 | 0 | 0 | 111 | ||||
| 35 | R | 30.3 | Very low | 32 | Very low | 222 Ų | 222 | 147.3 Ų | 147.3 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -97.6 | 148.2 | 170.7 | -72.2 | 178.2 | 166 | -173.4 | -6.6 | 110.3 | ||||
| 36 | E | 29.3 | Very low | 31.9 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | -172.7 | 163.7 | 102.4 | -99.9 | 178.1 | 155.2 | 0 | 0 | 111.6 | |||||
| 37 | D | 29.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -77.2 | 145.3 | -159.9 | -50.8 | -79.6 | 0 | 0 | 0 | 114.5 | ||||
| 38 | V | 29.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -131.7 | 111.3 | 162.4 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | V | 33.2 | Very low | 32.6 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -70 | 132.4 | 162.2 | 174 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 40 | K | 30.2 | Very low | 32.6 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -124.4 | 121.6 | 165.9 | -161.2 | -169.5 | 176.1 | -169.1 | 0 | 109.1 | ||||
| 41 | G | 30.1 | Very low | 32.2 | Very low | 44 Ų | 44 | 153.7 Ų | 153.7 | 45% | 0.454 | 82% | 0.815 | S | S | . | * | trans | -76.1 | 167.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 42 | E | 32.7 | Very low | 32.8 | Very low | 184 Ų | 184 | 156.7 Ų | 156.7 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | 12.3 | 141.7 | 110.2 | -66.1 | 141.4 | 178.9 | 0 | 0 | 116.2 | |||||
| 43 | E | 37.3 | Very low | 33.2 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | cis | -153.3 | -162.8 | 26.9 | -145 | 157.7 | -146.6 | 0 | 0 | 113.1 | ||||
| 44 | E | 33.7 | Very low | 32.4 | Very low | 180 Ų | 180 | 158 Ų | 158 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -58.9 | 170 | 175.6 | -61.8 | 167.7 | 147.6 | 0 | 0 | 112.9 | ||||
| 45 | G | 29.7 | Very low | 32.7 | Very low | 67 Ų | 67 | 155.7 Ų | 155.7 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | 173.2 | -140.2 | 5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 46 | D | 31.6 | Very low | 32.8 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 67.8 | 97.9 | 163.1 | -57.5 | -6.9 | 0 | 0 | 0 | 120.2 | ||||
| 47 | E | 38.4 | Very low | 33.3 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | 30.1 | 127.1 | 124.2 | -56.3 | -175 | 170.9 | 0 | 0 | 121.5 | |||||
| 48 | E | 31.4 | Very low | 33.7 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | -164.1 | 160.6 | 117.3 | -110.7 | 177.7 | 175.9 | 0 | 0 | 111.6 | |||||
| 49 | E | 36.6 | Very low | 33.9 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -87.5 | 144.6 | 175.9 | -68.2 | -171.8 | 100.7 | 0 | 0 | 112.4 | ||||
| 50 | E | 32.8 | Very low | 34.1 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | 178 | 160.1 | 122.1 | -101.5 | -159.2 | 157.4 | 0 | 0 | 113 | |||||
| 51 | G | 29.3 | Very low | 34.2 | Very low | 71 Ų | 71 | 151.9 Ų | 151.9 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 82.7 | 91.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | P53 | G51-P53 WeakPolarHBondContact O-CD 3.31Š| ||
| 52 | L | 41.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 95% | 0.948 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 124.9 | 159.6 | -82.2 | 167.4 | 0 | 0 | 0 | 111.5 | ||
| 53 | P | 36.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 132.9 | 168.2 | 33.7 | -30.8 | 0 | 0 | 0 | 112.2 | G51 | G51-P53 WeakPolarHBondContact O-CD 3.31Š|
| 54 | H | 31 | Very low | 33.8 | Very low | 177 Ų | 177 | 157.2 Ų | 157.2 | 82% | 0.819 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 142.6 | 173.9 | -167.4 | 55 | 0 | 0 | 0 | 110.4 | ||
| 55 | T | 31.1 | Very low | 33.7 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -119.9 | 112.2 | -174.6 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 56 | D | 32.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 155.7 Ų | 155.7 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | trans | -128.2 | 149.2 | 168.3 | -99.5 | -36.4 | 0 | 0 | 0 | 110.8 | ||||
| 57 | P | 40.6 | Very low | 33.9 | Very low | 95 Ų | 95 | 156.3 Ų | 156.3 | 62% | 0.617 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 148.8 | -168.6 | 35.3 | -35.8 | 0 | 0 | 0 | 114.9 | ||
| 58 | P | 37.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 139.9 | 178.9 | 33.1 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 59 | W | 34.3 | Very low | 33.4 | Very low | 242 Ų | 242 | 154 Ų | 154 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 145.8 | 171.6 | -74.5 | 64 | 0 | 0 | 0 | 111.4 | ||
| 60 | I | 37.4 | Very low | 33.3 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 124.3 | 179.6 | -63.6 | 175.2 | 0 | 0 | 0 | 110.3 | ||
| 61 | H | 31.5 | Very low | 33.4 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 137.5 | 168.6 | -84.6 | -73.6 | 0 | 0 | 0 | 111.9 | ||
| 62 | V | 33.1 | Very low | 33.5 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -128.6 | 134.2 | 154.1 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 63 | K | 28.5 | Very low | 33.1 | Very low | 180 Ų | 180 | 152 Ų | 152 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -149.5 | 102.3 | -177.4 | 179.8 | -167.5 | 173 | -179 | 0 | 111.6 | ||||
| 64 | E | 31.1 | Very low | 32.7 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -141.3 | 114.7 | 159 | -94.2 | 160.7 | -159 | 0 | 0 | 105.8 | ||||
| 65 | T | 31.6 | Very low | 32.6 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | 84.5 | 80.6 | 49.5 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 66 | A | 32.8 | Very low | 32.5 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -148.8 | 150.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 67 | M | 31.7 | Very low | 32.4 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -142.8 | 178.7 | 179.1 | -66.7 | -176.3 | -71 | 0 | 0 | 109.1 | ||||
| 68 | F | 31 | Very low | 32.4 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | 78.8 | 140.2 | -175.8 | -63.5 | -82.8 | 0 | 0 | 0 | 115.2 | ||||
| 69 | D | 28.6 | Very low | 32.9 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -153.1 | -178.2 | -13.5 | -147.3 | -13.9 | 0 | 0 | 0 | 111.6 | ||||
| 70 | L | 34.2 | Very low | 33.4 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -110.2 | 146.7 | -171.9 | -177.7 | 63.3 | 0 | 0 | 0 | 114.6 | ||||
| 71 | D | 34.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | 48.3 | 122.3 | 161.8 | -68.1 | -21.4 | 0 | 0 | 0 | 122.3 | ||||
| 72 | H | 31.8 | Very low | 33.2 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | -165.5 | 158.4 | 123 | -123.2 | -93.3 | 0 | 0 | 0 | 114.5 | |||||
| 73 | L | 33.1 | Very low | 33.3 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -70.3 | 161.5 | 174.9 | -66.3 | 80 | 0 | 0 | 0 | 111.3 | ||||
| 74 | T | 29.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | -178.1 | 146.4 | 62.1 | -45.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 75 | T | 27.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 9.6 | 132.4 | 155.7 | -50.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 76 | T | 29 | Very low | 34.5 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | -164.3 | 136.1 | 128.3 | -76.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 77 | T | 31.4 | Very low | 34.5 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -126.3 | 147.4 | 172.3 | -18 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 78 | P | 40.3 | Very low | 34.8 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -154.7 | -160.6 | 95.2 | 38.4 | -17.1 | 0 | 0 | 0 | 113.2 | |||||
| 79 | P | 47.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | -116.9 | 179.5 | -63.2 | 35.4 | -19.3 | 0 | 0 | 0 | 112.4 | |||||
| 80 | P | 45.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -102.7 | 178.1 | -163.9 | 40.3 | -37.1 | 0 | 0 | 0 | 116.3 | ||||
| 81 | A | 32.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -114.5 | 152.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 82 | A | 32.8 | Very low | 37.1 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -69.2 | 133.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 83 | A | 34.8 | Very low | 37.4 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | 85.5 | 104.8 | 55 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 84 | T | 33.2 | Very low | 38.2 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -145.2 | 138.5 | 159.7 | 21 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 85 | N | 38.5 | Very low | 38.9 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -139.4 | 137.7 | 174.1 | -178.4 | 6.4 | 0 | 0 | 0 | 106.8 | ||||
| 86 | P | 44 | Very low | 39.3 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -131.4 | 142.8 | 137.6 | 36 | -26.4 | 0 | 0 | 0 | 112.9 | ||||
| 87 | S | 34.5 | Very low | 39.9 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -90.4 | 135.5 | 179.2 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 88 | N | 36.4 | Very low | 40.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | -169.2 | 163.9 | 128.4 | -108.4 | -84.5 | 0 | 0 | 0 | 110 | |||||
| 89 | P | 48.3 | Very low | 40.5 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 127.8 | 178.4 | 34.7 | -26.5 | 0 | 0 | 0 | 112 | ||
| 90 | D | 40.2 | Very low | 40.3 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 125.7 | 170.2 | -78.9 | -41.3 | 0 | 0 | 0 | 111 | L92 | D90-L92 PolarHBondContact O-N 3.45Š|
| 91 | V | 42.9 | Very low | 40.3 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 117.1 | 178 | 176.3 | 0 | 0 | 0 | 0 | 109 | H93 | V91-H93 PolarHBondContact O-N 3.13Š|
| 92 | L | 45.1 | Very low | 40.9 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 104.4 | 174.4 | -169.1 | 76 | 0 | 0 | 0 | 109.9 | D90 | D90-L92 PolarHBondContact O-N 3.45Š| ||
| 93 | H | 39.6 | Very low | 41.5 | Very low | 147 Ų | 147 | 135 Ų | 135 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -71.4 | 129 | 172 | -156.7 | 64.2 | 0 | 0 | 0 | 109.4 | V91 D95 | V91-H93 PolarHBondContact O-N 3.13Å; H93-D95 IonicContact CD2-OD1 3.77Å; H93-D95 IonicContact CD2-OD2 3.83Å; H93-D95 IonicContact NE2-OD1 2.86Å | ||
| 94 | V | 49.4 | Very low | 41.8 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 56% | 0.558 | 77% | 0.765 | S | S | * | * | trans | -112.2 | 98.1 | 177 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | F96 | V94-F96 WeakPolarHBondContact O-CD2 3.35Å; V94-F96 PolarHBondContact O-N 3.24Å | ||
| 95 | D | 42.7 | Very low | 41.8 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | -67.7 | 118.9 | 175.2 | -74.6 | -65.8 | 0 | 0 | 0 | 110.7 | H93 F97 | H93-D95 IonicContact CD2-OD1 3.77Å; H93-D95 IonicContact CD2-OD2 3.83Å; H93-D95 IonicContact NE2-OD1 2.86Å; D95-F97 PolarHBondContact O-N 2.86Å | ||
| 96 | F | 37.5 | Very low | 41.6 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -80.5 | 117.5 | 173.8 | -73.3 | -95.7 | 0 | 0 | 0 | 109.9 | V94 D98 | V94-F96 WeakPolarHBondContact O-CD2 3.35Å; V94-F96 PolarHBondContact O-N 3.24Å; F96-D98 PolarHBondContact O-N 3.49Å; F96-D98 VanDerWaalsContact O-N 3.14Å | ||
| 97 | F | 40.6 | Very low | 41.4 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 101.7 | 178.9 | -118.8 | -91.7 | 0 | 0 | 0 | 111.4 | D95 | D95-F97 PolarHBondContact O-N 2.86Š| ||
| 98 | D | 43 | Very low | 41.6 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 53% | 0.529 | 78% | 0.777 | S | S | . | * | trans | -87.6 | 117.3 | 170.1 | -177.4 | -6.9 | 0 | 0 | 0 | 110.5 | F96 S100 | F96-D98 PolarHBondContact O-N 3.49Å; F96-D98 VanDerWaalsContact O-N 3.14Å; D98-S100 PolarHBondContact O-N 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.02Å | ||
| 99 | P | 42.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -69.5 | -8.5 | 179.8 | 29.7 | -36 | 0 | 0 | 0 | 114.4 | S101 | P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.44Å |
| 100 | S | 42.7 | Very low | 41.6 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -73.2 | -7.2 | -168.9 | -50.9 | 0 | 0 | 0 | 0 | 115.8 | D98 | D98-S100 PolarHBondContact O-N 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.02Å |
| 101 | S | 46.4 | Very low | 41.4 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -90.8 | -14.8 | -162.5 | 58.8 | 0 | 0 | 0 | 0 | 116.5 | P99 G103 | P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.44Å; S101-G103 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 3.32Å |
| 102 | R | 44.8 | Very low | 40.9 | Very low | 255 Ų | 255 | 142.1 Ų | 142.1 | 96% | 0.962 | 77% | 0.771 | S | S | * | * | trans | -84.9 | 54.6 | -169.7 | -138.5 | 178.6 | -157.8 | -166.8 | 6.7 | 114.1 | ||||
| 103 | G | 45.3 | Very low | 41 | Very low | 56 Ų | 56 | 141.1 Ų | 141.1 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | trans | -136.5 | 34.8 | -161.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | S101 | S101-G103 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 3.32Å | ||
| 104 | R | 40.1 | Very low | 41 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -172.8 | 136.9 | 160.3 | -102.7 | 141.5 | -160.3 | -154 | 4.7 | 114.5 | ||||
| 105 | N | 33.1 | Very low | 40.3 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 61.5 | 132.7 | 165.8 | -52.7 | -44.4 | 0 | 0 | 0 | 115.8 | ||||
| 106 | L | 35.8 | Very low | 40.3 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | cis | -135.5 | 152 | 34.7 | -78.8 | 153.9 | 0 | 0 | 0 | 113.2 | ||||
| 107 | N | 39.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -92.3 | 141.8 | 166.6 | -101 | -71.1 | 0 | 0 | 0 | 110.3 | ||||
| 108 | L | 37.6 | Very low | 40.3 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -170.9 | 102.2 | 153.4 | -108 | 159.1 | 0 | 0 | 0 | 113.1 | ||||
| 109 | A | 37.8 | Very low | 40.4 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 64.9 | 154.6 | 164 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 110 | P | 47.2 | Very low | 40.2 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -116.7 | 157 | -165.5 | 41.2 | -30.9 | 0 | 0 | 0 | 116.1 | ||||
| 111 | P | 37 | Very low | 40.1 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -90.7 | 165.4 | 154.6 | 35.6 | -31.2 | 0 | 0 | 0 | 112.8 | ||||
| 112 | S | 31.5 | Very low | 39.6 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -76.1 | 160.2 | -167.2 | -51.6 | 0 | 0 | 0 | 0 | 115.9 | S114 | S112-S114 PolarHBondContact O-N 3.33Š| ||
| 113 | P | 47.7 | Very low | 39.6 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -86.3 | 110 | -176.1 | 33 | -33.5 | 0 | 0 | 0 | 113.3 | ||||
| 114 | S | 39.4 | Very low | 39.5 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -154.2 | 23.3 | 172.7 | 74.4 | 0 | 0 | 0 | 0 | 115.9 | S112 | S112-S114 PolarHBondContact O-N 3.33Š| ||
| 115 | S | 35.4 | Very low | 39.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -138.2 | -9.3 | -179 | 57.3 | 0 | 0 | 0 | 0 | 115.7 | A117 | S115-A117 PolarHBondContact O-N 3.09Š|
| 116 | L | 42.6 | Very low | 40.2 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -100.8 | 62.5 | -178.9 | -151.4 | 171.8 | 0 | 0 | 0 | 110.2 | ||||
| 117 | A | 40.3 | Very low | 40.7 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -150.3 | 37.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S115 | S115-A117 PolarHBondContact O-N 3.09Š|
| 118 | H | 37 | Very low | 41.1 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -156.2 | 20.8 | 159.6 | -108.8 | -65.4 | 0 | 0 | 0 | 114.1 | ||
| 119 | E | 45.2 | Very low | 41.6 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -80.3 | 158.6 | 151.2 | -85.6 | -165.2 | 90.6 | 0 | 0 | 109.2 | ||||
| 120 | L | 38.5 | Very low | 42.1 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 75.6 | 132.8 | -159.6 | -49.7 | 163.3 | 0 | 0 | 0 | 112 | ||||
| 121 | Q | 40.3 | Very low | 42.3 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | cis | -112.7 | 135.9 | -1.1 | -95.6 | 76.5 | 1.1 | 0 | 0 | 111.3 | ||||
| 122 | G | 36.4 | Very low | 43 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -131.9 | 42.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 123 | A | 44.1 | Very low | 43.9 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -149.8 | 37.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 124 | E | 42.8 | Very low | 43.8 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -149.6 | 126.3 | 164 | -132 | 165.3 | -152.5 | 0 | 0 | 110.2 | ||||
| 125 | A | 41.8 | Very low | 44.2 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -82.8 | 121.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 126 | T | 46.5 | Very low | 45 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | trans | -68.8 | 142.8 | 177.1 | 48.5 | 0 | 0 | 0 | 0 | 111 | W128 A129 | T126-W128 PolarHBondContact O-N 3.31Å; T126-A129 PolarHBondContact O-N 3.15Å | ||
| 127 | S | 46.1 | Very low | 45.2 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 22.1 | -170.6 | 66 | 0 | 0 | 0 | 0 | 115.7 | ||
| 128 | W | 47.3 | Very low | 45.5 | Very low | 230 Ų | 230 | 142.6 Ų | 142.6 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 2.3 | 177.3 | -64.5 | 103.6 | 0 | 0 | 0 | 112.6 | T126 M130 | T126-W128 PolarHBondContact O-N 3.31Å; W128-M130 PolarHBondContact O-N 3.28Å; W128-M130 VanDerWaalsContact O-N 3.16Å |
| 129 | A | 49 | Very low | 45.9 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | -63 | 113.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T126 | T126-A129 PolarHBondContact O-N 3.15Š| ||
| 130 | M | 49 | Very low | 45.6 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -60.1 | 134.5 | 171.4 | -98.1 | -65.6 | -63.9 | 0 | 0 | 109.6 | W128 E132 Y134 | W128-M130 PolarHBondContact O-N 3.28Å; W128-M130 VanDerWaalsContact O-N 3.16Å; M130-E132 PolarHBondContact O-N 3.09Å; M130-Y134 HydrophobicContact CE-CD2 3.82Å; M130-Y134 HydrophobicContact CE-CE2 4.33Å; M130-Y134 HydrophobicContact CE-CG 4.5Å | ||
| 131 | P | 51.3 | Low | 45.8 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | trans | -59.6 | 131.4 | 174.7 | -23.1 | 33.6 | 0 | 0 | 0 | 111 | N133 | P131-N133 PolarHBondContact O-N 2.75Š| ||
| 132 | E | 50.3 | Low | 46.1 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 96% | 0.963 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -68.1 | 14.8 | -179.2 | -58.8 | -170 | 145.3 | 0 | 0 | 114.3 | M130 | M130-E132 PolarHBondContact O-N 3.09Š|
| 133 | N | 50.2 | Low | 46.2 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -123.3 | 58.8 | -176 | -170.1 | 66 | 0 | 0 | 0 | 111.5 | P131 | P131-N133 PolarHBondContact O-N 2.75Š| ||
| 134 | Y | 45.7 | Very low | 45.6 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 70% | 0.698 | 77% | 0.765 | S | S | * | * | trans | -120.9 | 94.2 | 161.6 | -100.5 | -83.3 | 0 | 0 | 0 | 108.9 | M130 Y136 | M130-Y134 HydrophobicContact CE-CD2 3.82Å; M130-Y134 HydrophobicContact CE-CE2 4.33Å; M130-Y134 HydrophobicContact CE-CG 4.5Å; Y134-Y136 PolarHBondContact O-N 3.4Å | ||
| 135 | D | 48.3 | Very low | 45.3 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -74.5 | 105 | 178.8 | -172.4 | -4.5 | 0 | 0 | 0 | 110.2 | L137 | D135-L137 PolarHBondContact O-N 3.32Å; D135-L137 WeakPolarHBondContact OD1-CB 3.12Å; D135-L137 PolarHBondContact OD1-N 3.17Å | ||
| 136 | Y | 52.2 | Low | 44.8 | Very low | 215 Ų | 215 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 9.7 | -175.1 | -122.6 | -85.2 | 0 | 0 | 0 | 113.7 | Y134 | Y134-Y136 PolarHBondContact O-N 3.4Š|
| 137 | L | 46.2 | Very low | 44.2 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 3.9 | -169.7 | -69.5 | 170.7 | 0 | 0 | 0 | 115.4 | D135 P139 | D135-L137 PolarHBondContact O-N 3.32Å; D135-L137 WeakPolarHBondContact OD1-CB 3.12Å; D135-L137 PolarHBondContact OD1-N 3.17Å; L137-P139 WeakPolarHBondContact O-CD 3.44Å |
| 138 | T | 48.3 | Very low | 44 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | trans | -76.8 | 119.9 | 170 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 139 | P | 43.8 | Very low | 43.6 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 141.5 | 166.4 | -14.6 | 30.7 | 0 | 0 | 0 | 109.7 | L137 D141 | L137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-D141 PolarHBondContact O-N 3.2Å; P139-D141 VanDerWaalsContact O-N 3.13Å | ||
| 140 | Y | 40.5 | Very low | 42.9 | Very low | 239 Ų | 239 | 145.4 Ų | 145.4 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | trans | -72.6 | 99.9 | 163.1 | -89.2 | -104.2 | 0 | 0 | 0 | 108.8 | ||||
| 141 | D | 42.3 | Very low | 42.3 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -83.8 | 128 | 157.1 | -82.3 | -52.8 | 0 | 0 | 0 | 108.5 | P139 G143 | P139-D141 PolarHBondContact O-N 3.2Å; P139-D141 VanDerWaalsContact O-N 3.13Å; D141-G143 PolarHBondContact O-N 3.27Å | ||
| 142 | D | 46.4 | Very low | 41.4 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 94% | 0.941 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 129.2 | -180 | -87.1 | -55.7 | 0 | 0 | 0 | 111.7 | ||||
| 143 | G | 39 | Very low | 40.5 | Very low | 61 Ų | 61 | 149.2 Ų | 149.2 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | -158.4 | 7.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | D141 | D141-G143 PolarHBondContact O-N 3.27Š| ||
| 144 | M | 30.5 | Very low | 39.9 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -143.9 | 118.1 | 171.8 | -133.2 | 88.4 | -100.3 | 0 | 0 | 112.7 | ||||
| 145 | T | 35.7 | Very low | 39.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -92.2 | 177.1 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 146 | T | 32.5 | Very low | 39.1 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 78.6 | 138.9 | -179.4 | 78.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 147 | T | 32.8 | Very low | 38.3 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | cis | -122.7 | 163.8 | -2.4 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 148 | V | 42.6 | Very low | 37.9 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -65.4 | 139.9 | 161.5 | 173.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 149 | D | 38.1 | Very low | 37.2 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -147.5 | 159.5 | 142.2 | -116.4 | -42.8 | 0 | 0 | 0 | 109.6 | ||||
| 150 | E | 36.2 | Very low | 37 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -117.1 | -177.1 | -154.1 | -155.9 | 174.2 | 149.2 | 0 | 0 | 113.6 | ||||
| 151 | Y | 35.2 | Very low | 36.6 | Very low | 197 Ų | 197 | 140 Ų | 140 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 75.7 | 109.4 | 177 | -53.7 | -86.2 | 0 | 0 | 0 | 115.3 | ||||
| 152 | S | 32.7 | Very low | 36.2 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | 84.6 | 97.9 | 38.4 | -55 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 153 | Y | 31.7 | Very low | 35.8 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -151.5 | 145.2 | 131.1 | -168.3 | -111.2 | 0 | 0 | 0 | 110.6 | T155 | Y153-T155 WeakPolarHBondContact CE1-OG1 3.49Å; Y153-T155 VanDerWaalsContact CZ-OG1 3.31Å; Y153-T155 PolarHBondContact OH-OG1 2.82Å; Y153-T155 VanDerWaalsContact OH-OG1 3.09Å | ||
| 154 | S | 37.5 | Very low | 35.7 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -145 | 137.2 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 155 | T | 33.8 | Very low | 36 | Very low | 93 Ų | 93 | 140 Ų | 140 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | trans | -147.4 | 99.7 | 167.1 | -56.7 | 0 | 0 | 0 | 0 | 105.9 | Y153 | Y153-T155 WeakPolarHBondContact CE1-OG1 3.49Å; Y153-T155 VanDerWaalsContact CZ-OG1 3.31Å; Y153-T155 PolarHBondContact OH-OG1 2.82Å; Y153-T155 VanDerWaalsContact OH-OG1 3.09Å | ||
| 156 | T | 42.6 | Very low | 36 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 61% | 0.613 | 75% | 0.75 | S | S | * | * | 62.6 | 88.4 | 63.9 | 75.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 157 | T | 36.8 | Very low | 36.1 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | trans | -137.8 | 89.3 | 149.9 | 47.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 158 | D | 36.4 | Very low | 36 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -59.4 | 168 | 160.8 | -55.3 | -87.2 | 0 | 0 | 0 | 111.7 | ||||
| 159 | A | 35.2 | Very low | 35.7 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | cis | -172.2 | 154.6 | -25.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 160 | Y | 39.2 | Very low | 35.4 | Very low | 222 Ų | 222 | 143.1 Ų | 143.1 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | trans | 175.5 | 153.8 | 151.9 | 69 | -90.1 | 0 | 0 | 0 | 108.1 | ||||
| 161 | E | 31.5 | Very low | 35.3 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | cis | -144.2 | 143.4 | -31.8 | -85.3 | -89.5 | 145.5 | 0 | 0 | 103.5 | ||||
| 162 | T | 33.4 | Very low | 35 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 57% | 0.571 | 77% | 0.765 | S | S | * | * | 47.3 | 123.9 | 89.5 | 6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 163 | E | 37.8 | Very low | 35.3 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | cis | -171 | 154.5 | -3.2 | 54.4 | -138.2 | 114.6 | 0 | 0 | 112.2 | ||||
| 164 | E | 36.7 | Very low | 35.3 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -170.1 | 131.3 | 137.6 | -110.8 | -175.2 | 136.1 | 0 | 0 | 111.2 | ||||
| 165 | D | 36.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | -118.9 | 132.1 | 172.9 | 163.6 | 36.3 | 0 | 0 | 0 | 108.5 | R167 | D165-R167 PolarHBondContact OD1-N 2.92Å; D165-R167 IonicContact OD1-NH1 3.6Å; D165-R167 IonicContact OD2-CZ 3.87Å; D165-R167 IonicContact OD2-NH1 3.87Å; D165-R167 PolarHBondContact OD2-NH1 2.88Å | ||
| 166 | L | 36.5 | Very low | 35.2 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -165.1 | 103.8 | 140.9 | -108 | 170.8 | 0 | 0 | 0 | 113 | ||||
| 167 | R | 35.8 | Very low | 35 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 68% | 0.683 | 80% | 0.801 | S | S | * | * | trans | 15.6 | 124.3 | 139.5 | -60.4 | 166.5 | -178 | 64.5 | 8.8 | 118 | D165 | D165-R167 PolarHBondContact OD1-N 2.92Å; D165-R167 IonicContact OD1-NH1 3.6Å; D165-R167 IonicContact OD2-CZ 3.87Å; D165-R167 IonicContact OD2-NH1 3.87Å; D165-R167 PolarHBondContact OD2-NH1 2.88Å | ||
| 168 | E | 29.5 | Very low | 34.9 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | -148.5 | 149.1 | 117.9 | -130.5 | 174 | -166.1 | 0 | 0 | 111.8 | |||||
| 169 | A | 35.7 | Very low | 34.9 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -115.9 | 110.4 | -171 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 170 | A | 33.5 | Very low | 35.1 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -117.4 | 115.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S172 | A170-S172 PolarHBondContact O-N 3.41Š| ||
| 171 | G | 32.7 | Very low | 35.1 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 117.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 172 | S | 30.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70 | 129.7 | 166.8 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | A170 | A170-S172 PolarHBondContact O-N 3.41Š|
| 173 | P | 37.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69 | 146.7 | -176.5 | 27.8 | -34.8 | 0 | 0 | 0 | 112.3 | R175 | P173-R175 PolarHBondContact O-N 3.01Š|
| 174 | A | 32.5 | Very low | 35.7 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 123.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S176 | A174-S176 PolarHBondContact O-N 3.36Š|
| 175 | R | 33.3 | Very low | 36 | Very low | 245 Ų | 245 | 135.3 Ų | 135.3 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -67.6 | 100.9 | 174.9 | -167.9 | 176.1 | -168.6 | 163.1 | 3.2 | 109.5 | P173 R177 | P173-R175 PolarHBondContact O-N 3.01Å; R175-R177 PolarHBondContact O-N 2.83Å | ||
| 176 | S | 35.9 | Very low | 35.9 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.4 | -179.1 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | A174 | A174-S176 PolarHBondContact O-N 3.36Š|
| 177 | R | 37.8 | Very low | 36.3 | Very low | 237 Ų | 237 | 137.1 Ų | 137.1 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.7 | 171.9 | -71.5 | -175.2 | 177.5 | -173.5 | -0.9 | 109.4 | R175 R179 | R175-R177 PolarHBondContact O-N 2.83Å; R177-R179 PolarHBondContact O-N 2.73Å |
| 178 | P | 35 | Very low | 36.5 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.9 | 164.7 | -23.4 | 34.4 | 0 | 0 | 0 | 110.2 | V180 | P178-V180 PolarHBondContact O-N 3.31Š|
| 179 | R | 36.2 | Very low | 37.3 | Very low | 243 Ų | 243 | 128.5 Ų | 128.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -88.5 | 96.4 | -178.6 | -168.8 | 180 | -163.6 | 159.9 | 4.8 | 109.4 | R177 P181 | R177-R179 PolarHBondContact O-N 2.73Å; R179-P181 VanDerWaalsContact O-CD 3.31Å; R179-P181 WeakPolarHBondContact O-CD 3.43Å | ||
| 180 | V | 39.5 | Very low | 37.4 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 121.2 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | P178 | P178-V180 PolarHBondContact O-N 3.31Š|
| 181 | P | 40 | Very low | 37.7 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 141.9 | 167.9 | -17.9 | 33.1 | 0 | 0 | 0 | 110.2 | R179 | R179-P181 VanDerWaalsContact O-CD 3.31Å; R179-P181 WeakPolarHBondContact O-CD 3.43Å |
| 182 | G | 32.8 | Very low | 38.1 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 154 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G184 | G182-G184 PolarHBondContact O-N 2.92Š|
| 183 | S | 45.9 | Very low | 39 | Very low | 137 Ų | 137 | 132 Ų | 132 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.4 | 179.3 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 184 | G | 35.8 | Very low | 39.5 | Very low | 48 Ų | 48 | 129.9 Ų | 129.9 | 50% | 0.495 | 78% | 0.776 | S | S | . | * | trans | -127.1 | 131.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G182 F186 | G182-G184 PolarHBondContact O-N 2.92Å; G184-F186 WeakPolarHBondContact O-CD2 3.43Å; G184-F186 PolarHBondContact O-N 3.17Å; G184-F186 VanDerWaalsContact O-N 3.15Å | ||
| 185 | S | 43 | Very low | 40.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -66.6 | 112.4 | -177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | I187 | S185-I187 PolarHBondContact O-N 2.04Š| ||
| 186 | F | 35.9 | Very low | 41.1 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -81.1 | 99.7 | 175.1 | -86.2 | -89.1 | 0 | 0 | 0 | 110.6 | G184 P188 | G184-F186 WeakPolarHBondContact O-CD2 3.43Å; G184-F186 PolarHBondContact O-N 3.17Å; G184-F186 VanDerWaalsContact O-N 3.15Å; F186-P188 WeakPolarHBondContact O-CD 3.49Å | ||
| 187 | I | 44.6 | Very low | 42.2 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | trans | -82.6 | 118.9 | 165.2 | -60.7 | 177.9 | 0 | 0 | 0 | 108.2 | S185 G189 | S185-I187 PolarHBondContact O-N 2.04Å; I187-G189 PolarHBondContact O-N 3.16Å | ||
| 188 | P | 40.1 | Very low | 43.3 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 116.8 | 177.1 | 28.6 | -33 | 0 | 0 | 0 | 110.4 | F186 | F186-P188 WeakPolarHBondContact O-CD 3.49Š|
| 189 | G | 44.8 | Very low | 44.5 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.4 | -8.6 | 172 | 0 | 0 | 0 | 0 | 0 | 116.6 | I187 | I187-G189 PolarHBondContact O-N 3.16Š|
| 190 | G | 38.8 | Very low | 45.9 | Very low | 47 Ų | 47 | 103.3 Ų | 103.3 | 49% | 0.485 | 69% | 0.693 | S | S | . | * | trans | -79.9 | 127.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y192 | G190-Y192 PolarHBondContact O-N 3.49Š| ||
| 191 | P | 40.6 | Very low | 47.1 | Very low | 124 Ų | 124 | 103.7 Ų | 103.7 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -76.7 | 109.9 | 172.7 | 29.9 | -32.4 | 0 | 0 | 0 | 110.7 | P193 | P191-P193 WeakPolarHBondContact O-CD 3.37Š| ||
| 192 | Y | 40.8 | Very low | 48.3 | Very low | 173 Ų | 173 | 103.2 Ų | 103.2 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | trans | -78.1 | 118.8 | 175.9 | -77 | -92.9 | 0 | 0 | 0 | 111.9 | G190 | G190-Y192 PolarHBondContact O-N 3.49Š| ||
| 193 | P | 49.5 | Very low | 50.5 | Low | 131 Ų | 131 | 102.3 Ų | 102.3 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -83.3 | 119.7 | 169.1 | 32.8 | -30.5 | 0 | 0 | 0 | 110.3 | P191 | P191-P193 WeakPolarHBondContact O-CD 3.37Š|
| 194 | G | 47.6 | Very low | 52.3 | Low | 78 Ų | 78 | 95.8 Ų | 95.8 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | 145.2 | -26 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | A196 | G194-A196 PolarHBondContact O-N 3.03Å; G194-A196 VanDerWaalsContact O-N 3.09Å | ||
| 195 | A | 44.9 | Very low | 54.4 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 74% | 0.744 | 64% | 0.641 | S | S | * | * | trans | -78.5 | 92.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P197 | A195-P197 WeakPolarHBondContact O-CD 3.45Š| ||
| 196 | A | 53 | Low | 56 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | -56.4 | 121.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G194 N198 | G194-A196 PolarHBondContact O-N 3.03Å; G194-A196 VanDerWaalsContact O-N 3.09Å; A196-N198 PolarHBondContact O-N 3.14Å | ||
| 197 | P | 59.3 | Low | 57.9 | Low | 76 Ų | 76 | 92.2 Ų | 92.2 | 49% | 0.494 | 60% | 0.597 | S | S | . | * | trans | -65.3 | 135.3 | 178.4 | 27.2 | -33.3 | 0 | 0 | 0 | 108.6 | A195 V199 | A195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-V199 HydrophobicContact CB-CG2 3.92Å; P197-V199 HydrophobicContact CG-CG2 3.77Å; P197-V199 PolarHBondContact O-N 3.49Å | ||
| 198 | N | 61.1 | Low | 59.5 | Low | 132 Ų | 132 | 90.9 Ų | 90.9 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -65.4 | 86.7 | 168.5 | -85.1 | -2.6 | 0 | 0 | 0 | 108.5 | A196 R205 V206 | A196-N198 PolarHBondContact O-N 3.14Å; N198-R205 WeakPolarHBondContact O-CA 3.03Å; N198-V206 HydrophobicContact CB-CG2 3.98Å; N198-V206 PolarHBondContact O-N 3.35Å | ||
| 199 | V | 59.7 | Low | 61.5 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | B | Isolated β-bridge | trans | -96.9 | 116.5 | 179.2 | 166.3 | 0 | 0 | 0 | 0 | 107.4 | P197 C204 | P197-V199 HydrophobicContact CB-CG2 3.92Å; P197-V199 HydrophobicContact CG-CG2 3.77Å; P197-V199 PolarHBondContact O-N 3.49Å; V199-C204 CarbonylContact C-O 3.59Å; V199-C204 WeakPolarHBondContact CA-O 3.04Å |
| 200 | S | 65.4 | Low | 63.4 | Low | 37 Ų | 37 | 91.2 Ų | 91.2 | 26% | 0.259 | 56% | 0.556 | S | S | . | * | trans | -59.8 | 155.1 | 166.5 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | N202 G203 C204 | S200-N202 PolarHBondContact O-N 2.9Å; S200-G203 PolarHBondContact O-N 3.2Å; S200-C204 PolarHBondContact N-O 2.62Å | ||
| 201 | P | 64.8 | Low | 65.6 | Low | 136 Ų | 136 | 91 Ų | 91 | 88% | 0.883 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -16.6 | -178 | 20.3 | -33.6 | 0 | 0 | 0 | 114.9 | G203 | P201-G203 VanDerWaalsContact C-N 3.28Å; P201-G203 PolarHBondContact O-N 2.88Å |
| 202 | N | 66.7 | Low | 67.8 | Low | 106 Ų | 106 | 93 Ų | 93 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 10.3 | 176.3 | -55.7 | -6.9 | 0 | 0 | 0 | 113.9 | S200 C204 L210 | S200-N202 PolarHBondContact O-N 2.9Å; N202-C204 PolarHBondContact O-N 3.31Å; N202-L210 HydrophobicContact CB-CB 4.31Å |
| 203 | G | 78.4 | Confident | 69.8 | Low | 55 Ų | 55 | 88 Ų | 88 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 79.7 | -13.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S200 P201 | S200-G203 PolarHBondContact O-N 3.2Å; P201-G203 VanDerWaalsContact C-N 3.28Å; P201-G203 PolarHBondContact O-N 2.88Å |
| 204 | C | 82.9 | Confident | 71.6 | Confident | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.007 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -86 | 157.2 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | V199 S200 N202 Y208 C215 | V199-C204 CarbonylContact C-O 3.59Å; V199-C204 WeakPolarHBondContact CA-O 3.04Å; S200-C204 PolarHBondContact N-O 2.62Å; N202-C204 PolarHBondContact O-N 3.31Å; C204-Y208 VanDerWaalsContact CB-O 3.25Å; C204-Y208 WeakPolarHBondContact CB-O 3.41Å; C204-C215 WeakPolarHBondContact CA-SG 3.25Å; C204-C215 HydrophobicContact CB-CB 3.78Å; C204-C215 WeakPolarHBondContact CB-SG 3.38Å; C204-C215 VanDerWaalsContact SG-CA 3.51Å; C204-C215 WeakPolarHBondContact SG-CB 3.13Å; C204-C215 CovalentContact SG-SG 2.04Å; C204-C215 PolarHBondContact SG-SG 3.47Å |
| 205 | R | 80.4 | Confident | 73.5 | Confident | 167 Ų | 167 | 83.6 Ų | 83.6 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | B | Isolated β-bridge | trans | -59.8 | 150.5 | 168.5 | -69.9 | 179.6 | -178.9 | -99.9 | 0.2 | 110.3 | N198 G207 Y208 | N198-R205 WeakPolarHBondContact O-CA 3.03Å; R205-G207 PolarHBondContact O-N 3.3Å; R205-Y208 HydrophobicContact CB-CD2 3.83Å; R205-Y208 HydrophobicContact CB-CE2 4.34Å; R205-Y208 WeakPolarHBondContact O-CB 3.33Å; R205-Y208 PolarHBondContact O-N 2.98Å |
| 206 | V | 77 | Confident | 75.5 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 131.9 | 166.4 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | N198 | N198-V206 HydrophobicContact CB-CG2 3.98Å; N198-V206 PolarHBondContact O-N 3.35Å |
| 207 | G | 76 | Confident | 77 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -22.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R205 Q234 G237 | R205-G207 PolarHBondContact O-N 3.3Å; G207-Q234 VanDerWaalsContact CA-NE2 3.32Å; G207-Q234 PolarHBondContact O-NE2 2.83Å; G207-Q234 PolarHBondContact O-OE1 2.85Å; G207-G237 VanDerWaalsContact CA-O 3.29Å; G207-G237 WeakPolarHBondContact CA-O 3.47Å |
| 208 | Y | 78.6 | Confident | 78.1 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 40% | 0.404 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.1 | -177.6 | -67.1 | -107.9 | 0 | 0 | 0 | 110.9 | C204 R205 C215 R216 | C204-Y208 VanDerWaalsContact CB-O 3.25Å; C204-Y208 WeakPolarHBondContact CB-O 3.41Å; R205-Y208 HydrophobicContact CB-CD2 3.83Å; R205-Y208 HydrophobicContact CB-CE2 4.34Å; R205-Y208 WeakPolarHBondContact O-CB 3.33Å; R205-Y208 PolarHBondContact O-N 2.98Å; Y208-C215 HydrophobicContact CD1-CB 4.44Å; Y208-R216 CarbonylContact C-O 3.54Å; Y208-R216 VanDerWaalsContact CA-O 3.22Å; Y208-R216 WeakPolarHBondContact CA-O 3.29Å |
| 209 | Q | 81.6 | Confident | 79.3 | Confident | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 140 | 173.8 | -64.7 | -169 | 10.3 | 0 | 0 | 110.5 | I211 R216 | Q209-I211 HydrophobicContact CB-CD1 4.19Å; Q209-I211 HydrophobicContact CB-CG1 4.28Å; Q209-I211 PolarHBondContact O-N 2.8Å; Q209-R216 PolarHBondContact N-O 3.18Å; Q209-R216 PolarHBondContact O-N 2.88Å |
| 210 | L | 84.8 | Confident | 80.6 | Confident | 87 Ų | 87 | 73.5 Ų | 73.5 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 109.9 | 177.2 | -174.1 | 71.1 | 0 | 0 | 0 | 109.6 | N202 | N202-L210 HydrophobicContact CB-CB 4.31Å |
| 211 | I | 84 | Confident | 81.3 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 122.6 | -174.6 | -63.2 | 178 | 0 | 0 | 0 | 108.6 | Q209 G213 S214 R216 M221 | Q209-I211 HydrophobicContact CB-CD1 4.19Å; Q209-I211 HydrophobicContact CB-CG1 4.28Å; Q209-I211 PolarHBondContact O-N 2.8Å; I211-G213 PolarHBondContact O-N 2.89Å; I211-S214 PolarHBondContact N-O 3.38Å; I211-S214 PolarHBondContact O-N 3.37Å; I211-S214 VanDerWaalsContact O-O 3.08Å; I211-R216 HydrophobicContact CB-CG 4.33Å; I211-M221 HydrophobicContact CD1-CE 3.5Å; I211-M221 VanDerWaalsContact CD1-CE 3.5Å; I211-M221 HydrophobicContact CD1-CG 4.26Å; I211-M221 HydrophobicContact CD1-SD 3.21Å; I211-M221 WeakPolarHBondContact CD1-SD 3.44Å |
| 212 | N | 87.1 | Confident | 82.1 | Confident | 166 Ų | 166 | 75.1 Ų | 75.1 | 89% | 0.888 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 34.8 | -174.2 | -57.8 | -17.4 | 0 | 0 | 0 | 113.3 | S214 | N212-S214 VanDerWaalsContact C-N 3.28Å; N212-S214 PolarHBondContact O-N 3.4Å |
| 213 | G | 83.5 | Confident | 82.8 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 0.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I211 | I211-G213 PolarHBondContact O-N 2.89Š|
| 214 | S | 86.4 | Confident | 83.1 | Confident | 64 Ų | 64 | 77.7 Ų | 77.7 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | I211 N212 R216 | I211-S214 PolarHBondContact N-O 3.38Å; I211-S214 PolarHBondContact O-N 3.37Å; I211-S214 VanDerWaalsContact O-O 3.08Å; N212-S214 VanDerWaalsContact C-N 3.28Å; N212-S214 PolarHBondContact O-N 3.4Å; S214-R216 PolarHBondContact O-N 2.96Å |
| 215 | C | 87.3 | Confident | 83.3 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 102.4 | 176.7 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | C204 Y208 | C204-C215 WeakPolarHBondContact CA-SG 3.25Å; C204-C215 HydrophobicContact CB-CB 3.78Å; C204-C215 WeakPolarHBondContact CB-SG 3.38Å; C204-C215 VanDerWaalsContact SG-CA 3.51Å; C204-C215 WeakPolarHBondContact SG-CB 3.13Å; C204-C215 CovalentContact SG-SG 2.04Å; C204-C215 PolarHBondContact SG-SG 3.47Å; Y208-C215 HydrophobicContact CD1-CB 4.44Å |
| 216 | R | 86.6 | Confident | 83.7 | Confident | 91 Ų | 91 | 73.5 Ų | 73.5 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.5 | 178.5 | -63.2 | -165.4 | 166.6 | -129 | -17.3 | 111.4 | Y208 Q209 I211 S214 E220 | Y208-R216 CarbonylContact C-O 3.54Å; Y208-R216 VanDerWaalsContact CA-O 3.22Å; Y208-R216 WeakPolarHBondContact CA-O 3.29Å; Q209-R216 PolarHBondContact N-O 3.18Å; Q209-R216 PolarHBondContact O-N 2.88Å; I211-R216 HydrophobicContact CB-CG 4.33Å; S214-R216 PolarHBondContact O-N 2.96Å; R216-E220 WeakPolarHBondContact CA-OE2 3.22Å; R216-E220 HydrophobicContact CB-CB 4.4Å; R216-E220 WeakPolarHBondContact CB-OE2 3.47Å; R216-E220 WeakPolarHBondContact CG-OE2 3.47Å; R216-E220 IonicContact CZ-OE1 2.87Å; R216-E220 IonicContact NE-OE1 3.24Å; R216-E220 PolarHBondContact NE-OE1 3.47Å; R216-E220 IonicContact NH1-OE1 3.05Å; R216-E220 PolarHBondContact NH1-OE1 2.86Å; R216-E220 IonicContact NH2-OE1 3.17Å; R216-E220 PolarHBondContact NH2-OE1 2.85Å |
| 217 | S | 84.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 163.8 | 173 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | C219 E220 M221 | S217-C219 PolarHBondContact O-N 2.92Å; S217-E220 PolarHBondContact O-N 3.27Å; S217-E220 PolarHBondContact OG-N 3.48Å; S217-M221 PolarHBondContact O-N 3.17Å; S217-M221 VanDerWaalsContact O-N 3.12Å |
| 218 | A | 84 | Confident | 84.5 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 24% | 0.24 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.4 | -29.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M221 Q222 Q234 I240 | A218-M221 PolarHBondContact O-N 2.79Å; A218-Q222 PolarHBondContact O-N 3.2Å; A218-Q222 VanDerWaalsContact O-N 3.08Å; A218-Q234 HydrophobicContact CB-CG 4.44Å; A218-I240 HydrophobicContact CB-CG2 3.44Å; A218-I240 VanDerWaalsContact CB-CG2 3.44Å |
| 219 | C | 85.6 | Confident | 84.8 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 14% | 0.135 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.4 | -37 | 171.5 | -68.5 | 0 | 0 | 0 | 0 | 113.5 | S217 M221 Q222 C232 | S217-C219 PolarHBondContact O-N 2.92Å; C219-M221 VanDerWaalsContact C-N 3.34Å; C219-Q222 CarbonylContact O-C 3.38Å; C219-C232 VanDerWaalsContact CA-SG 3.56Å; C219-C232 HydrophobicContact CB-CB 3.63Å; C219-C232 WeakPolarHBondContact CB-SG 3.43Å; C219-C232 WeakPolarHBondContact SG-CB 3.21Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.05Å |
| 220 | E | 86 | Confident | 85.1 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -76.1 | -25.5 | 176.7 | -166.6 | -174.9 | 168 | 0 | 0 | 112.1 | R216 S217 | R216-E220 WeakPolarHBondContact CA-OE2 3.22Å; R216-E220 HydrophobicContact CB-CB 4.4Å; R216-E220 WeakPolarHBondContact CB-OE2 3.47Å; R216-E220 WeakPolarHBondContact CG-OE2 3.47Å; R216-E220 IonicContact CZ-OE1 2.87Å; R216-E220 IonicContact NE-OE1 3.24Å; R216-E220 PolarHBondContact NE-OE1 3.47Å; R216-E220 IonicContact NH1-OE1 3.05Å; R216-E220 PolarHBondContact NH1-OE1 2.86Å; R216-E220 IonicContact NH2-OE1 3.17Å; R216-E220 PolarHBondContact NH2-OE1 2.85Å; S217-E220 PolarHBondContact O-N 3.27Å; S217-E220 PolarHBondContact OG-N 3.48Å |
| 221 | M | 81.7 | Confident | 85.2 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.1 | -34 | 171.9 | -70.4 | -66.9 | -81.8 | 0 | 0 | 112.7 | I211 S217 A218 C219 P223 | I211-M221 HydrophobicContact CD1-CE 3.5Å; I211-M221 VanDerWaalsContact CD1-CE 3.5Å; I211-M221 HydrophobicContact CD1-CG 4.26Å; I211-M221 HydrophobicContact CD1-SD 3.21Å; I211-M221 WeakPolarHBondContact CD1-SD 3.44Å; S217-M221 PolarHBondContact O-N 3.17Å; S217-M221 VanDerWaalsContact O-N 3.12Å; A218-M221 PolarHBondContact O-N 2.79Å; C219-M221 VanDerWaalsContact C-N 3.34Å; M221-P223 VanDerWaalsContact C-CD 3.44Å; M221-P223 WeakPolarHBondContact O-CD 3.49Å |
| 222 | Q | 82 | Confident | 85.5 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 51% | 0.505 | 41% | 0.413 | S | S | . | . | trans | -121.3 | 67.2 | -178.2 | -159.1 | 68.3 | 42.4 | 0 | 0 | 111.4 | A218 C219 N224 Y225 I240 | A218-Q222 PolarHBondContact O-N 3.2Å; A218-Q222 VanDerWaalsContact O-N 3.08Å; C219-Q222 CarbonylContact O-C 3.38Å; Q222-N224 PolarHBondContact O-N 2.04Å; Q222-N224 VanDerWaalsContact O-N 3.09Å; Q222-Y225 HydrophobicContact CG-CD2 4.44Å; Q222-Y225 WeakPolarHBondContact O-CB 3.39Å; Q222-Y225 PolarHBondContact O-N 3.27Å; Q222-I240 HydrophobicContact CB-CD1 4.45Å | ||
| 223 | P | 81.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.6 | -174 | 24.8 | -35.2 | 0 | 0 | 0 | 113.6 | M221 Y225 | M221-P223 VanDerWaalsContact C-CD 3.44Å; M221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-Y225 VanDerWaalsContact C-N 3.3Å; P223-Y225 PolarHBondContact O-N 3.08Å |
| 224 | N | 83.4 | Confident | 85.5 | Confident | 120 Ų | 120 | 66.6 Ų | 66.6 | 64% | 0.642 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 14.3 | 175.9 | -61 | -14.9 | 0 | 0 | 0 | 113.1 | Q222 R256 | Q222-N224 PolarHBondContact O-N 2.04Å; Q222-N224 VanDerWaalsContact O-N 3.09Å; N224-R256 PolarHBondContact O-NH2 2.84Å; N224-R256 VanDerWaalsContact O-NH2 3.11Å |
| 225 | Y | 86.8 | Confident | 85.2 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -69.6 | -52.4 | 178.3 | -172.4 | -107.4 | 0 | 0 | 0 | 111.4 | Q222 P223 I240 C242 R256 | Q222-Y225 HydrophobicContact CG-CD2 4.44Å; Q222-Y225 WeakPolarHBondContact O-CB 3.39Å; Q222-Y225 PolarHBondContact O-N 3.27Å; P223-Y225 VanDerWaalsContact C-N 3.3Å; P223-Y225 PolarHBondContact O-N 3.08Å; Y225-I240 HydrophobicContact CD1-CB 4.32Å; Y225-I240 HydrophobicContact CD1-CD1 3.63Å; Y225-I240 HydrophobicContact CD1-CG1 3.89Å; Y225-I240 HydrophobicContact CD2-CD1 3.67Å; Y225-I240 HydrophobicContact CD2-CG1 4.39Å; Y225-I240 HydrophobicContact CE1-CB 4.25Å; Y225-I240 HydrophobicContact CE1-CD1 3.95Å; Y225-I240 HydrophobicContact CE1-CG1 3.73Å; Y225-I240 WeakPolarHBondContact CE1-O 3.03Å; Y225-I240 HydrophobicContact CE2-CD1 3.97Å; Y225-I240 HydrophobicContact CE2-CG1 4.22Å; Y225-I240 HydrophobicContact CG-CD1 3.5Å; Y225-I240 HydrophobicContact CG-CG1 4.24Å; Y225-I240 PolarHBondContact OH-O 2.98Å; Y225-C242 WeakPolarHBondContact CD1-SG 3.35Å; Y225-C242 WeakPolarHBondContact CE1-SG 3.02Å; Y225-R256 HydrophobicContact CE1-CG 3.98Å; Y225-R256 HydrophobicContact CE2-CG 4.05Å; Y225-R256 VanDerWaalsContact O-CZ 3.29Å; Y225-R256 PolarHBondContact O-NE 3.49Å; Y225-R256 PolarHBondContact O-NH2 2.89Å |
| 226 | C | 89.2 | Confident | 84.5 | Confident | 20 Ų | 20 | 73 Ų | 73 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -92.7 | 129.6 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 111 | G230 C232 C242 | C226-G230 VanDerWaalsContact CB-O 3.26Å; C226-G230 WeakPolarHBondContact CB-O 2.99Å; C226-C232 VanDerWaalsContact SG-CB 3.52Å; C226-C242 WeakPolarHBondContact CA-SG 3.2Å; C226-C242 HydrophobicContact CB-CB 3.82Å; C226-C242 WeakPolarHBondContact CB-SG 3.33Å; C226-C242 WeakPolarHBondContact SG-CA 3.3Å; C226-C242 WeakPolarHBondContact SG-CB 3.5Å; C226-C242 CovalentContact SG-SG 2.03Å; C226-C242 PolarHBondContact SG-SG 2.88Å |
| 227 | L | 87.1 | Confident | 83.7 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | trans | -103 | 170 | -178.1 | -62.4 | 175.2 | 0 | 0 | 0 | 111.4 | G229 G230 R256 C257 E258 | L227-G229 PolarHBondContact O-N 3.34Å; L227-G230 PolarHBondContact O-N 3.12Å; L227-R256 PolarHBondContact N-O 2.79Å; L227-C257 WeakPolarHBondContact O-CB 3.31Å; L227-E258 HydrophobicContact CD1-CB 4.4Å; L227-E258 HydrophobicContact CD1-CG 3.77Å | ||
| 228 | N | 84.1 | Confident | 83 | Confident | 88 Ų | 88 | 77.7 Ų | 77.7 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 36.8 | 172.6 | -59.7 | -50.1 | 0 | 0 | 0 | 114.9 | H252 C257 E258 V260 | N228-H252 PolarHBondContact O-CE1 3.38Å; N228-C257 PolarHBondContact ND2-O 2.79Å; N228-E258 PolarHBondContact ND2-O 2.98Å; N228-E258 VanDerWaalsContact ND2-O 3.14Å; N228-V260 HydrophobicContact CB-CG2 4.26Å |
| 229 | G | 83.4 | Confident | 82.7 | Confident | 64 Ų | 64 | 83 Ų | 83 | 66% | 0.66 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 10.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L227 | L227-G229 PolarHBondContact O-N 3.34Š|
| 230 | G | 88.2 | Confident | 82.7 | Confident | 13 Ų | 13 | 83.4 Ų | 83.4 | 13% | 0.134 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 135.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C226 L227 R243 | C226-G230 VanDerWaalsContact CB-O 3.26Å; C226-G230 WeakPolarHBondContact CB-O 2.99Å; L227-G230 PolarHBondContact O-N 3.12Å; G230-R243 CarbonylContact C-O 3.49Å; G230-R243 WeakPolarHBondContact CA-O 3.45Å |
| 231 | Q | 88 | Confident | 82.9 | Confident | 105 Ų | 105 | 84.6 Ų | 84.6 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.7 | 178.4 | -66.8 | 172.7 | -12.4 | 0 | 0 | 110 | Y233 R243 | Q231-Y233 HydrophobicContact CB-CD2 4.42Å; Q231-Y233 HydrophobicContact CB-CE2 3.75Å; Q231-Y233 WeakPolarHBondContact O-CD2 3.03Å; Q231-Y233 PolarHBondContact OE1-OH 2.81Å; Q231-R243 HydrophobicContact CB-CB 4.42Å; Q231-R243 PolarHBondContact N-O 3.02Å; Q231-R243 PolarHBondContact O-N 2.03Å |
| 232 | C | 88.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 29% | 0.291 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.2 | 177.1 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | C219 C226 | C219-C232 VanDerWaalsContact CA-SG 3.56Å; C219-C232 HydrophobicContact CB-CB 3.63Å; C219-C232 WeakPolarHBondContact CB-SG 3.43Å; C219-C232 WeakPolarHBondContact SG-CB 3.21Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.05Å; C226-C232 VanDerWaalsContact SG-CB 3.52Å |
| 233 | Y | 85.7 | Confident | 83.5 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 43% | 0.427 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 155.3 | 172.2 | -68.6 | -90.1 | 0 | 0 | 0 | 109.5 | Q231 I240 F241 R243 | Q231-Y233 HydrophobicContact CB-CD2 4.42Å; Q231-Y233 HydrophobicContact CB-CE2 3.75Å; Q231-Y233 WeakPolarHBondContact O-CD2 3.03Å; Q231-Y233 PolarHBondContact OE1-OH 2.81Å; Y233-I240 CarbonylContact O-C 3.57Å; Y233-I240 WeakPolarHBondContact O-CA 3.44Å; Y233-F241 PolarHBondContact N-O 2.03Å; Y233-F241 PolarHBondContact O-N 3.02Å; Y233-R243 HydrophobicContact CD2-CB 3.91Å; Y233-R243 HydrophobicContact CE2-CB 3.63Å; Y233-R243 HydrophobicContact CE2-CG 4.42Å |
| 234 | Q | 86.6 | Confident | 83.9 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.7 | 174.6 | -168.9 | 171.6 | -4.5 | 0 | 0 | 108.7 | G207 A218 G237 E239 I240 | G207-Q234 VanDerWaalsContact CA-NE2 3.32Å; G207-Q234 PolarHBondContact O-NE2 2.83Å; G207-Q234 PolarHBondContact O-OE1 2.85Å; A218-Q234 HydrophobicContact CB-CG 4.44Å; Q234-G237 PolarHBondContact NE2-O 3.05Å; Q234-E239 CarbonylContact C-O 3.57Å; Q234-E239 WeakPolarHBondContact CA-O 3.36Å; Q234-E239 WeakPolarHBondContact CG-O 3.46Å; Q234-I240 HydrophobicContact CB-CG2 4.39Å; Q234-I240 HydrophobicContact CG-CG2 4.21Å |
| 235 | L | 79.2 | Confident | 83.9 | Confident | 89 Ų | 89 | 76.9 Ų | 76.9 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.3 | 175.5 | -93.9 | 72.1 | 0 | 0 | 0 | 109.9 | G237 E238 E239 | L235-G237 PolarHBondContact O-N 3.17Å; L235-E238 PolarHBondContact O-N 3.29Å; L235-E239 PolarHBondContact N-O 3.32Å; L235-E239 PolarHBondContact O-N 3.24Å |
| 236 | D | 72.5 | Confident | 83.5 | Confident | 163 Ų | 163 | 79.1 Ų | 79.1 | 87% | 0.872 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 6.1 | 170.3 | -58.8 | -38.2 | 0 | 0 | 0 | 118.4 | ||
| 237 | G | 70 | Confident | 82.9 | Confident | 16 Ų | 16 | 83 Ų | 83 | 17% | 0.165 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | -18.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G207 Q234 L235 | G207-G237 VanDerWaalsContact CA-O 3.29Å; G207-G237 WeakPolarHBondContact CA-O 3.47Å; Q234-G237 PolarHBondContact NE2-O 3.05Å; L235-G237 PolarHBondContact O-N 3.17Å |
| 238 | E | 69.3 | Low | 82.1 | Confident | 195 Ų | 195 | 86.2 Ų | 86.2 | 91% | 0.911 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -22.1 | -177.6 | -74.9 | -178.3 | 105.3 | 0 | 0 | 114.5 | L235 | L235-E238 PolarHBondContact O-N 3.29Š|
| 239 | E | 79.3 | Confident | 81.4 | Confident | 140 Ų | 140 | 88.8 Ų | 88.8 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139.6 | -179.5 | -168.9 | 167.5 | -165.6 | 0 | 0 | 112.4 | Q234 L235 | Q234-E239 CarbonylContact C-O 3.57Å; Q234-E239 WeakPolarHBondContact CA-O 3.36Å; Q234-E239 WeakPolarHBondContact CG-O 3.46Å; L235-E239 PolarHBondContact N-O 3.32Å; L235-E239 PolarHBondContact O-N 3.24Å |
| 240 | I | 85.4 | Confident | 81 | Confident | 29 Ų | 29 | 88.2 Ų | 88.2 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.7 | 174.3 | 50.9 | 176.7 | 0 | 0 | 0 | 110.9 | A218 Q222 Y225 Y233 Q234 | A218-I240 HydrophobicContact CB-CG2 3.44Å; A218-I240 VanDerWaalsContact CB-CG2 3.44Å; Q222-I240 HydrophobicContact CB-CD1 4.45Å; Y225-I240 HydrophobicContact CD1-CB 4.32Å; Y225-I240 HydrophobicContact CD1-CD1 3.63Å; Y225-I240 HydrophobicContact CD1-CG1 3.89Å; Y225-I240 HydrophobicContact CD2-CD1 3.67Å; Y225-I240 HydrophobicContact CD2-CG1 4.39Å; Y225-I240 HydrophobicContact CE1-CB 4.25Å; Y225-I240 HydrophobicContact CE1-CD1 3.95Å; Y225-I240 HydrophobicContact CE1-CG1 3.73Å; Y225-I240 WeakPolarHBondContact CE1-O 3.03Å; Y225-I240 HydrophobicContact CE2-CD1 3.97Å; Y225-I240 HydrophobicContact CE2-CG1 4.22Å; Y225-I240 HydrophobicContact CG-CD1 3.5Å; Y225-I240 HydrophobicContact CG-CG1 4.24Å; Y225-I240 PolarHBondContact OH-O 2.98Å; Y233-I240 CarbonylContact O-C 3.57Å; Y233-I240 WeakPolarHBondContact O-CA 3.44Å; Q234-I240 HydrophobicContact CB-CG2 4.39Å; Q234-I240 HydrophobicContact CG-CG2 4.21Å |
| 241 | F | 88.7 | Confident | 80.4 | Confident | 108 Ų | 108 | 94.4 Ų | 94.4 | 47% | 0.474 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.6 | -174.7 | 177.9 | -94.8 | 0 | 0 | 0 | 111 | Y233 R243 | Y233-F241 PolarHBondContact N-O 2.03Å; Y233-F241 PolarHBondContact O-N 3.02Å; F241-R243 HydrophobicContact CE1-CB 4.49Å |
| 242 | C | 89.7 | Confident | 80.2 | Confident | 4 Ų | 4 | 91.2 Ų | 91.2 | 3% | 0.027 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.2 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | Y225 C226 C244 A255 | Y225-C242 WeakPolarHBondContact CD1-SG 3.35Å; Y225-C242 WeakPolarHBondContact CE1-SG 3.02Å; C226-C242 WeakPolarHBondContact CA-SG 3.2Å; C226-C242 HydrophobicContact CB-CB 3.82Å; C226-C242 WeakPolarHBondContact CB-SG 3.33Å; C226-C242 WeakPolarHBondContact SG-CA 3.3Å; C226-C242 WeakPolarHBondContact SG-CB 3.5Å; C226-C242 CovalentContact SG-SG 2.03Å; C226-C242 PolarHBondContact SG-SG 2.88Å; C242-C244 PolarHBondContact O-N 3.09Å; C242-A255 WeakPolarHBondContact CB-O 3.37Å |
| 243 | R | 88 | Confident | 79.6 | Confident | 155 Ų | 155 | 96.1 Ų | 96.1 | 59% | 0.585 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 108.2 | 165.3 | -174.9 | -175.6 | -176.8 | 123.4 | 2.9 | 109 | G230 Q231 Y233 F241 | G230-R243 CarbonylContact C-O 3.49Å; G230-R243 WeakPolarHBondContact CA-O 3.45Å; Q231-R243 HydrophobicContact CB-CB 4.42Å; Q231-R243 PolarHBondContact N-O 3.02Å; Q231-R243 PolarHBondContact O-N 2.03Å; Y233-R243 HydrophobicContact CD2-CB 3.91Å; Y233-R243 HydrophobicContact CE2-CB 3.63Å; Y233-R243 HydrophobicContact CE2-CG 4.42Å; F241-R243 HydrophobicContact CE1-CB 4.49Å |
| 244 | C | 88.2 | Confident | 79.4 | Confident | 29 Ų | 29 | 92.7 Ų | 92.7 | 20% | 0.196 | 45% | 0.452 | C | S | . | . | trans | -70.4 | 146.9 | 175.8 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | C242 V246 H252 C257 | C242-C244 PolarHBondContact O-N 3.09Å; C244-V246 PolarHBondContact O-N 2.88Å; C244-H252 HydrophobicContact CB-CB 3.56Å; C244-C257 WeakPolarHBondContact CA-SG 3.02Å; C244-C257 HydrophobicContact CB-CB 3.89Å; C244-C257 WeakPolarHBondContact CB-SG 3.01Å; C244-C257 WeakPolarHBondContact SG-CA 3.26Å; C244-C257 WeakPolarHBondContact SG-CB 3.36Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.28Å | ||
| 245 | N | 84.6 | Confident | 79 | Confident | 72 Ų | 72 | 94 Ų | 94 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | trans | -77 | 108.7 | 176.7 | -177.6 | 53 | 0 | 0 | 0 | 109.6 | Q247 H252 | N245-Q247 PolarHBondContact ND2-NE2 3.06Å; N245-H252 PolarHBondContact O-CD2 3.04Å; N245-H252 PolarHBondContact O-NE2 3.49Å | ||
| 246 | V | 78.6 | Confident | 79.3 | Confident | 106 Ų | 106 | 93.3 Ų | 93.3 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | trans | -85.9 | 126.2 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | C244 W251 | C244-V246 PolarHBondContact O-N 2.88Å; V246-W251 HydrophobicContact CG1-CZ3 4.29Å | ||
| 247 | Q | 75.6 | Confident | 80 | Confident | 102 Ų | 102 | 85.6 Ų | 85.6 | 48% | 0.477 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -128.2 | 153.5 | 171.1 | -68.2 | -178.7 | -32.3 | 0 | 0 | 108.6 | N245 Y249 I250 | N245-Q247 PolarHBondContact ND2-NE2 3.06Å; Q247-Y249 PolarHBondContact O-N 3.03Å; Q247-I250 HydrophobicContact CB-CB 4.41Å; Q247-I250 PolarHBondContact O-N 2.86Å |
| 248 | D | 70.1 | Confident | 80.7 | Confident | 134 Ų | 134 | 89.5 Ų | 89.5 | 72% | 0.717 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -19.8 | -166.1 | -50.6 | -59 | 0 | 0 | 0 | 114.9 | ||
| 249 | Y | 70.3 | Confident | 81.2 | Confident | 142 Ų | 142 | 82.7 Ų | 82.7 | 56% | 0.557 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 3.5 | -178 | -50.8 | -71.3 | 0 | 0 | 0 | 114.4 | Q247 E263 | Q247-Y249 PolarHBondContact O-N 3.03Å; Y249-E263 HydrophobicContact CD1-CB 4.5Å; Y249-E263 VanDerWaalsContact CD1-OE2 3.25Å; Y249-E263 WeakPolarHBondContact CD1-OE2 3.41Å; Y249-E263 PolarHBondContact O-N 3.33Å; Y249-E263 VanDerWaalsContact O-N 3.11Å |
| 250 | I | 75.1 | Confident | 81.2 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 113.7 | -174.6 | -56.7 | -176.1 | 0 | 0 | 0 | 110.4 | Q247 V260 | Q247-I250 HydrophobicContact CB-CB 4.41Å; Q247-I250 PolarHBondContact O-N 2.86Å; I250-V260 HydrophobicContact CG2-CG1 3.98Å; I250-V260 HydrophobicContact CG2-CG2 4.23Å |
| 251 | W | 75.4 | Confident | 81 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 54% | 0.538 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.1 | -178.2 | -47.2 | 92.1 | 0 | 0 | 0 | 109.5 | V246 V261 | V246-W251 HydrophobicContact CG1-CZ3 4.29Å; W251-V261 PolarHBondContact N-O 3.3Å; W251-V261 PolarHBondContact O-N 3.45Å |
| 252 | H | 82.9 | Confident | 80.8 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 18% | 0.181 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.3 | 175 | -64.6 | -101.7 | 0 | 0 | 0 | 110.3 | N228 C244 N245 C257 S259 V260 | N228-H252 PolarHBondContact O-CE1 3.38Å; C244-H252 HydrophobicContact CB-CB 3.56Å; N245-H252 PolarHBondContact O-CD2 3.04Å; N245-H252 PolarHBondContact O-NE2 3.49Å; H252-C257 HydrophobicContact CB-CB 4.24Å; H252-S259 CarbonylContact C-O 3.54Å; H252-S259 VanDerWaalsContact CA-O 3.31Å; H252-S259 WeakPolarHBondContact CA-O 3.5Å; H252-V260 VanDerWaalsContact CE1-CG2 3.5Å; H252-V260 WeakPolarHBondContact CE1-CG2 3.25Å |
| 253 | K | 76.8 | Confident | 80.5 | Confident | 145 Ų | 145 | 79.7 Ų | 79.7 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.3 | -179.4 | 172.8 | -179.8 | 179.4 | -178.2 | 0 | 111.2 | E258 S259 | K253-E258 PolarHBondContact O-N 3.04Å; K253-S259 WeakPolarHBondContact CB-OG 3.26Å; K253-S259 PolarHBondContact N-O 2.94Å; K253-S259 PolarHBondContact O-N 3.21Å; K253-S259 PolarHBondContact O-OG 2.83Å |
| 254 | G | 80.3 | Confident | 80.3 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 38% | 0.381 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 103.7 | 147.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R256 C257 | G254-R256 PolarHBondContact O-N 3.01Å; G254-C257 PolarHBondContact O-N 3.11Å |
| 255 | A | 79.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 63% | 0.628 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C242 | C242-A255 WeakPolarHBondContact CB-O 3.37Š|
| 256 | R | 84.9 | Confident | 80.5 | Confident | 74 Ų | 74 | 83 Ų | 83 | 28% | 0.279 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 13.3 | 177.7 | -66.3 | 173.7 | 60.1 | -138.8 | -0.3 | 113.5 | N224 Y225 L227 G254 E258 | N224-R256 PolarHBondContact O-NH2 2.84Å; N224-R256 VanDerWaalsContact O-NH2 3.11Å; Y225-R256 HydrophobicContact CE1-CG 3.98Å; Y225-R256 HydrophobicContact CE2-CG 4.05Å; Y225-R256 VanDerWaalsContact O-CZ 3.29Å; Y225-R256 PolarHBondContact O-NE 3.49Å; Y225-R256 PolarHBondContact O-NH2 2.89Å; L227-R256 PolarHBondContact N-O 2.79Å; G254-R256 PolarHBondContact O-N 3.01Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 HydrophobicContact CB-CG 4.03Å; R256-E258 IonicContact CZ-OE1 3.75Å; R256-E258 IonicContact NE-OE1 3.93Å; R256-E258 IonicContact NH1-OE1 3.03Å; R256-E258 PolarHBondContact NH1-OE1 3.11Å; R256-E258 PolarHBondContact O-N 2.96Å |
| 257 | C | 86.9 | Confident | 81 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | trans | 62.2 | 29.3 | -177.7 | -41 | 0 | 0 | 0 | 0 | 113.9 | L227 N228 C244 H252 G254 S259 | L227-C257 WeakPolarHBondContact O-CB 3.31Å; N228-C257 PolarHBondContact ND2-O 2.79Å; C244-C257 WeakPolarHBondContact CA-SG 3.02Å; C244-C257 HydrophobicContact CB-CB 3.89Å; C244-C257 WeakPolarHBondContact CB-SG 3.01Å; C244-C257 WeakPolarHBondContact SG-CA 3.26Å; C244-C257 WeakPolarHBondContact SG-CB 3.36Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.28Å; H252-C257 HydrophobicContact CB-CB 4.24Å; G254-C257 PolarHBondContact O-N 3.11Å; C257-S259 VanDerWaalsContact C-N 3.35Å; C257-S259 PolarHBondContact O-N 3.14Å | ||
| 258 | E | 85.3 | Confident | 81.9 | Confident | 99 Ų | 99 | 82.5 Ų | 82.5 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | trans | -59.8 | -36.4 | -170.3 | -77.8 | 154.5 | 176.5 | 0 | 0 | 114.4 | L227 N228 K253 R256 | L227-E258 HydrophobicContact CD1-CB 4.4Å; L227-E258 HydrophobicContact CD1-CG 3.77Å; N228-E258 PolarHBondContact ND2-O 2.98Å; N228-E258 VanDerWaalsContact ND2-O 3.14Å; K253-E258 PolarHBondContact O-N 3.04Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 HydrophobicContact CB-CG 4.03Å; R256-E258 IonicContact CZ-OE1 3.75Å; R256-E258 IonicContact NE-OE1 3.93Å; R256-E258 IonicContact NH1-OE1 3.03Å; R256-E258 PolarHBondContact NH1-OE1 3.11Å; R256-E258 PolarHBondContact O-N 2.96Å | ||
| 259 | S | 78.8 | Confident | 83.1 | Confident | 51 Ų | 51 | 81.9 Ų | 81.9 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.3 | -177.4 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | H252 K253 C257 | H252-S259 CarbonylContact C-O 3.54Å; H252-S259 VanDerWaalsContact CA-O 3.31Å; H252-S259 WeakPolarHBondContact CA-O 3.5Å; K253-S259 WeakPolarHBondContact CB-OG 3.26Å; K253-S259 PolarHBondContact N-O 2.94Å; K253-S259 PolarHBondContact O-N 3.21Å; K253-S259 PolarHBondContact O-OG 2.83Å; C257-S259 VanDerWaalsContact C-N 3.35Å; C257-S259 PolarHBondContact O-N 3.14Å |
| 260 | V | 80.3 | Confident | 84.3 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 32% | 0.315 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.9 | 170.3 | 155.2 | 0 | 0 | 0 | 0 | 108.5 | N228 I250 H252 T262 | N228-V260 HydrophobicContact CB-CG2 4.26Å; I250-V260 HydrophobicContact CG2-CG1 3.98Å; I250-V260 HydrophobicContact CG2-CG2 4.23Å; H252-V260 VanDerWaalsContact CE1-CG2 3.5Å; H252-V260 WeakPolarHBondContact CE1-CG2 3.25Å; V260-T262 HydrophobicContact CG1-CG2 3.79Å |
| 261 | V | 81.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 30% | 0.303 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.3 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | W251 V266 | W251-V261 PolarHBondContact N-O 3.3Å; W251-V261 PolarHBondContact O-N 3.45Å; V261-V266 HydrophobicContact CG1-CG2 3.87Å |
| 262 | T | 82.9 | Confident | 86.4 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 149.9 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | V260 F264 Q265 V266 | V260-T262 HydrophobicContact CG1-CG2 3.79Å; T262-F264 PolarHBondContact O-N 3.23Å; T262-Q265 PolarHBondContact O-N 3.04Å; T262-Q265 VanDerWaalsContact O-N 3.11Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.42Å; T262-Q265 PolarHBondContact OG1-N 3.4Å; T262-V266 PolarHBondContact O-N 3.11Å |
| 263 | E | 83.9 | Confident | 87.1 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -53.1 | -42.2 | 170.9 | -174.1 | -170.5 | -141.3 | 0 | 0 | 111.3 | Y249 Q265 V266 M267 | Y249-E263 HydrophobicContact CD1-CB 4.5Å; Y249-E263 VanDerWaalsContact CD1-OE2 3.25Å; Y249-E263 WeakPolarHBondContact CD1-OE2 3.41Å; Y249-E263 PolarHBondContact O-N 3.33Å; Y249-E263 VanDerWaalsContact O-N 3.11Å; E263-Q265 VanDerWaalsContact C-N 3.28Å; E263-Q265 PolarHBondContact O-N 3.28Å; E263-V266 PolarHBondContact O-N 3.3Å; E263-M267 HydrophobicContact CG-CG 3.96Å; E263-M267 WeakPolarHBondContact O-CG 3.39Å; E263-M267 PolarHBondContact O-N 3.48Å |
| 264 | F | 84.1 | Confident | 88.1 | Confident | 148 Ų | 148 | 72.1 Ų | 72.1 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -53.8 | -39.6 | 177 | -63.3 | -74.3 | 0 | 0 | 0 | 113.6 | T262 C268 | T262-F264 PolarHBondContact O-N 3.23Å; F264-C268 VanDerWaalsContact O-CB 3.27Å; F264-C268 WeakPolarHBondContact O-CB 3.29Å; F264-C268 PolarHBondContact O-N 3.09Å; F264-C268 PolarHBondContact O-SG 2.73Å |
| 265 | Q | 86.8 | Confident | 88.9 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 176.3 | -73.8 | 165.4 | -16.5 | 0 | 0 | 111.4 | T262 E263 C268 L269 | T262-Q265 PolarHBondContact O-N 3.04Å; T262-Q265 VanDerWaalsContact O-N 3.11Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.42Å; T262-Q265 PolarHBondContact OG1-N 3.4Å; E263-Q265 VanDerWaalsContact C-N 3.28Å; E263-Q265 PolarHBondContact O-N 3.28Å; Q265-C268 PolarHBondContact O-N 3.28Å; Q265-L269 VanDerWaalsContact O-CG 3.32Å; Q265-L269 WeakPolarHBondContact O-CG 3.35Å; Q265-L269 PolarHBondContact O-N 2.92Å |
| 266 | V | 89.1 | Confident | 89.7 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 47% | 0.473 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | V261 T262 E263 L269 A270 | V261-V266 HydrophobicContact CG1-CG2 3.87Å; T262-V266 PolarHBondContact O-N 3.11Å; E263-V266 PolarHBondContact O-N 3.3Å; V266-L269 PolarHBondContact O-N 3.39Å; V266-A270 WeakPolarHBondContact O-CB 3.32Å; V266-A270 PolarHBondContact O-N 3.08Å |
| 267 | M | 90.2 | Very high | 90.4 | Very high | 103 Ų | 103 | 74 Ų | 74 | 51% | 0.507 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66 | -43 | 177.2 | -69.7 | -63.2 | -77.8 | 0 | 0 | 112.1 | E263 L269 A270 V271 | E263-M267 HydrophobicContact CG-CG 3.96Å; E263-M267 WeakPolarHBondContact O-CG 3.39Å; E263-M267 PolarHBondContact O-N 3.48Å; M267-L269 VanDerWaalsContact C-N 3.31Å; M267-L269 PolarHBondContact O-N 3.36Å; M267-A270 PolarHBondContact O-N 2.85Å; M267-V271 VanDerWaalsContact O-CB 3.31Å; M267-V271 WeakPolarHBondContact O-CB 3.3Å; M267-V271 VanDerWaalsContact O-CG2 3.3Å; M267-V271 WeakPolarHBondContact O-CG2 3.31Å; M267-V271 PolarHBondContact O-N 3Å |
| 268 | C | 94.3 | Very high | 90.9 | Very high | 94 Ų | 94 | 79.5 Ų | 79.5 | 64% | 0.635 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 173.4 | -77.2 | 0 | 0 | 0 | 0 | 112.5 | F264 Q265 G272 | F264-C268 VanDerWaalsContact O-CB 3.27Å; F264-C268 WeakPolarHBondContact O-CB 3.29Å; F264-C268 PolarHBondContact O-N 3.09Å; F264-C268 PolarHBondContact O-SG 2.73Å; Q265-C268 PolarHBondContact O-N 3.28Å; C268-G272 WeakPolarHBondContact O-CA 3.33Å; C268-G272 PolarHBondContact O-N 2.68Å |
| 269 | L | 94.6 | Very high | 91.4 | Very high | 121 Ų | 121 | 79.9 Ų | 79.9 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.1 | -46 | 175.2 | -72 | 170 | 0 | 0 | 0 | 111.9 | Q265 V266 M267 T273 | Q265-L269 VanDerWaalsContact O-CG 3.32Å; Q265-L269 WeakPolarHBondContact O-CG 3.35Å; Q265-L269 PolarHBondContact O-N 2.92Å; V266-L269 PolarHBondContact O-N 3.39Å; M267-L269 VanDerWaalsContact C-N 3.31Å; M267-L269 PolarHBondContact O-N 3.36Å; L269-T273 WeakPolarHBondContact O-CB 3.27Å; L269-T273 VanDerWaalsContact O-CG2 3.29Å; L269-T273 WeakPolarHBondContact O-CG2 3.27Å; L269-T273 PolarHBondContact O-N 2.88Å; L269-T273 PolarHBondContact O-OG1 2.87Å |
| 270 | A | 95.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 82 Ų | 82 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V266 M267 T273 S274 | V266-A270 WeakPolarHBondContact O-CB 3.32Å; V266-A270 PolarHBondContact O-N 3.08Å; M267-A270 PolarHBondContact O-N 2.85Å; A270-T273 PolarHBondContact O-OG1 3.45Å; A270-S274 WeakPolarHBondContact O-CB 3.44Å; A270-S274 PolarHBondContact O-N 2.89Å; A270-S274 VanDerWaalsContact O-N 3.09Å; A270-S274 PolarHBondContact O-OG 3.42Å |
| 271 | V | 97.1 | Very high | 93.1 | Very high | 87 Ų | 87 | 83.6 Ų | 83.6 | 53% | 0.527 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | M267 S274 A275 | M267-V271 VanDerWaalsContact O-CB 3.31Å; M267-V271 WeakPolarHBondContact O-CB 3.3Å; M267-V271 VanDerWaalsContact O-CG2 3.3Å; M267-V271 WeakPolarHBondContact O-CG2 3.31Å; M267-V271 PolarHBondContact O-N 3Å; V271-S274 WeakPolarHBondContact CA-OG 3.28Å; V271-S274 PolarHBondContact O-OG 3.25Å; V271-S274 VanDerWaalsContact O-OG 3.08Å; V271-A275 VanDerWaalsContact O-CB 3.23Å; V271-A275 WeakPolarHBondContact O-CB 3.41Å; V271-A275 PolarHBondContact O-N 3.23Å |
| 272 | G | 97.3 | Very high | 93.9 | Very high | 40 Ų | 40 | 87 Ų | 87 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C268 L276 | C268-G272 WeakPolarHBondContact O-CA 3.33Å; C268-G272 PolarHBondContact O-N 2.68Å; G272-L276 WeakPolarHBondContact O-CB 3.35Å; G272-L276 PolarHBondContact O-N 2.93Å |
| 273 | T | 97.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 90.9 Ų | 90.9 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 177.5 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | L269 A270 L276 V277 | L269-T273 WeakPolarHBondContact O-CB 3.27Å; L269-T273 VanDerWaalsContact O-CG2 3.29Å; L269-T273 WeakPolarHBondContact O-CG2 3.27Å; L269-T273 PolarHBondContact O-N 2.88Å; L269-T273 PolarHBondContact O-OG1 2.87Å; A270-T273 PolarHBondContact O-OG1 3.45Å; T273-L276 PolarHBondContact O-N 3.26Å; T273-V277 WeakPolarHBondContact O-CG2 3.37Å; T273-V277 PolarHBondContact O-N 2.87Å |
| 274 | S | 97.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 90.9 Ų | 90.9 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.1 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | A270 V271 V277 L278 | A270-S274 WeakPolarHBondContact O-CB 3.44Å; A270-S274 PolarHBondContact O-N 2.89Å; A270-S274 VanDerWaalsContact O-N 3.09Å; A270-S274 PolarHBondContact O-OG 3.42Å; V271-S274 WeakPolarHBondContact CA-OG 3.28Å; V271-S274 PolarHBondContact O-OG 3.25Å; V271-S274 VanDerWaalsContact O-OG 3.08Å; S274-V277 PolarHBondContact O-N 3.34Å; S274-L278 VanDerWaalsContact O-CG 3.3Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 3.33Å |
| 275 | A | 97.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 89 Ų | 89 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V271 L278 L279 | V271-A275 VanDerWaalsContact O-CB 3.23Å; V271-A275 WeakPolarHBondContact O-CB 3.41Å; V271-A275 PolarHBondContact O-N 3.23Å; A275-L278 PolarHBondContact O-N 3.37Å; A275-L279 WeakPolarHBondContact O-CG 3.3Å; A275-L279 PolarHBondContact O-N 3.31Å |
| 276 | L | 97.8 | Very high | 96.2 | Very high | 102 Ų | 102 | 86.1 Ų | 86.1 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.1 | -179.6 | 62.1 | 0 | 0 | 0 | 111.8 | G272 T273 L278 L279 L280 | G272-L276 WeakPolarHBondContact O-CB 3.35Å; G272-L276 PolarHBondContact O-N 2.93Å; T273-L276 PolarHBondContact O-N 3.26Å; L276-L278 PolarHBondContact O-N 2.92Å; L276-L279 PolarHBondContact O-N 2.99Å; L276-L280 HydrophobicContact CD1-CD1 4.38Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 WeakPolarHBondContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CG 3.22Å; L276-L280 PolarHBondContact O-N 2.8Å |
| 277 | V | 97.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 86.1 Ų | 86.1 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.4 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | T273 S274 L279 L280 L281 | T273-V277 WeakPolarHBondContact O-CG2 3.37Å; T273-V277 PolarHBondContact O-N 2.87Å; S274-V277 PolarHBondContact O-N 3.34Å; V277-L279 PolarHBondContact O-N 3.5Å; V277-L280 PolarHBondContact O-N 2.95Å; V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.36Å; V277-L281 WeakPolarHBondContact O-CB 3.3Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.44Å; V277-L281 PolarHBondContact O-N 3.5Å |
| 278 | L | 97.3 | Very high | 96.7 | Very high | 117 Ų | 117 | 87.4 Ų | 87.4 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 176.6 | -71.7 | 170.3 | 0 | 0 | 0 | 112.5 | S274 A275 L276 L281 F282 | S274-L278 VanDerWaalsContact O-CG 3.3Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 3.33Å; A275-L278 PolarHBondContact O-N 3.37Å; L276-L278 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-F282 WeakPolarHBondContact O-CB 3.23Å; L278-F282 PolarHBondContact O-N 3.38Å |
| 279 | L | 97.5 | Very high | 96.7 | Very high | 107 Ų | 107 | 85.8 Ų | 85.8 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 174.9 | -71.9 | 172.3 | 0 | 0 | 0 | 112.1 | A275 L276 V277 F282 M283 | A275-L279 WeakPolarHBondContact O-CG 3.3Å; A275-L279 PolarHBondContact O-N 3.31Å; L276-L279 PolarHBondContact O-N 2.99Å; V277-L279 PolarHBondContact O-N 3.5Å; L279-F282 PolarHBondContact O-N 3.43Å; L279-M283 WeakPolarHBondContact O-CG 3.43Å; L279-M283 PolarHBondContact O-N 2.94Å |
| 280 | L | 97.4 | Very high | 96.7 | Very high | 96 Ų | 96 | 86.8 Ų | 86.8 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 175 | -71.5 | 171.4 | 0 | 0 | 0 | 111.5 | L276 V277 F282 M283 I284 | L276-L280 HydrophobicContact CD1-CD1 4.38Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 WeakPolarHBondContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CG 3.22Å; L276-L280 PolarHBondContact O-N 2.8Å; V277-L280 PolarHBondContact O-N 2.95Å; L280-F282 VanDerWaalsContact C-N 3.34Å; L280-F282 PolarHBondContact O-N 3.42Å; L280-M283 PolarHBondContact O-N 3.09Å; L280-I284 WeakPolarHBondContact O-CB 3.16Å; L280-I284 WeakPolarHBondContact O-CD1 3.39Å; L280-I284 VanDerWaalsContact O-CG1 3.23Å; L280-I284 WeakPolarHBondContact O-CG1 3.27Å; L280-I284 PolarHBondContact O-N 3.45Å |
| 281 | L | 97.3 | Very high | 96.6 | Very high | 85 Ų | 85 | 91.6 Ų | 91.6 | 45% | 0.445 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 174.2 | -73.1 | 171.5 | 0 | 0 | 0 | 111.7 | V277 L278 I284 I285 | V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.36Å; V277-L281 WeakPolarHBondContact O-CB 3.3Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.44Å; V277-L281 PolarHBondContact O-N 3.5Å; L278-L281 PolarHBondContact O-N 3.21Å; L281-I284 PolarHBondContact O-N 2.97Å; L281-I285 WeakPolarHBondContact O-CB 3.26Å; L281-I285 WeakPolarHBondContact O-CD1 3.23Å; L281-I285 VanDerWaalsContact O-CG1 3.23Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 2.88Å |
| 282 | F | 97.7 | Very high | 96.2 | Very high | 122 Ų | 122 | 92.8 Ų | 92.8 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.1 | -178.6 | -100.9 | 0 | 0 | 0 | 112.1 | L278 L279 L280 I284 I285 V286 | L278-F282 WeakPolarHBondContact O-CB 3.23Å; L278-F282 PolarHBondContact O-N 3.38Å; L279-F282 PolarHBondContact O-N 3.43Å; L280-F282 VanDerWaalsContact C-N 3.34Å; L280-F282 PolarHBondContact O-N 3.42Å; F282-I284 VanDerWaalsContact C-N 3.34Å; F282-I284 PolarHBondContact O-N 2.89Å; F282-I285 PolarHBondContact O-N 3.09Å; F282-V286 HydrophobicContact CD1-CG2 4.19Å; F282-V286 HydrophobicContact CE1-CG2 3.77Å; F282-V286 HydrophobicContact CE2-CG2 4.13Å; F282-V286 HydrophobicContact CZ-CG2 3.74Å; F282-V286 WeakPolarHBondContact O-CB 3.42Å; F282-V286 WeakPolarHBondContact O-CG2 3.32Å; F282-V286 PolarHBondContact O-N 3.46Å |
| 283 | M | 96.6 | Very high | 95.9 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -40 | 175.5 | -70.3 | -62.4 | 169.4 | 0 | 0 | 112.1 | L279 L280 V286 C287 | L279-M283 WeakPolarHBondContact O-CG 3.43Å; L279-M283 PolarHBondContact O-N 2.94Å; L280-M283 PolarHBondContact O-N 3.09Å; M283-V286 PolarHBondContact O-N 3.4Å; M283-C287 VanDerWaalsContact O-CB 3.28Å; M283-C287 WeakPolarHBondContact O-CB 3.5Å; M283-C287 PolarHBondContact O-N 2.99Å; M283-C287 PolarHBondContact O-SG 2.99Å; M283-C287 VanDerWaalsContact O-SG 3.36Å |
| 284 | I | 96.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 96.2 Ų | 96.2 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174 | -71.8 | 164.5 | 0 | 0 | 0 | 110.7 | L280 L281 F282 V286 C287 F288 | L280-I284 WeakPolarHBondContact O-CB 3.16Å; L280-I284 WeakPolarHBondContact O-CD1 3.39Å; L280-I284 VanDerWaalsContact O-CG1 3.23Å; L280-I284 WeakPolarHBondContact O-CG1 3.27Å; L280-I284 PolarHBondContact O-N 3.45Å; L281-I284 PolarHBondContact O-N 2.97Å; F282-I284 VanDerWaalsContact C-N 3.34Å; F282-I284 PolarHBondContact O-N 2.89Å; I284-V286 PolarHBondContact O-N 3.3Å; I284-C287 PolarHBondContact O-N 3.41Å; I284-F288 HydrophobicContact CG2-CD2 3.62Å; I284-F288 HydrophobicContact CG2-CE2 3.37Å; I284-F288 HydrophobicContact CG2-CZ 4.44Å; I284-F288 VanDerWaalsContact O-CD2 3.26Å; I284-F288 WeakPolarHBondContact O-CD2 3.46Å; I284-F288 PolarHBondContact O-N 3.32Å |
| 285 | I | 96.6 | Very high | 95.2 | Very high | 108 Ų | 108 | 97.8 Ų | 97.8 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 176.7 | -69.8 | 162.7 | 0 | 0 | 0 | 111.1 | L281 F282 F288 A289 | L281-I285 WeakPolarHBondContact O-CB 3.26Å; L281-I285 WeakPolarHBondContact O-CD1 3.23Å; L281-I285 VanDerWaalsContact O-CG1 3.23Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 2.88Å; F282-I285 PolarHBondContact O-N 3.09Å; I285-F288 PolarHBondContact O-N 2.87Å; I285-A289 VanDerWaalsContact O-CB 3.29Å; I285-A289 WeakPolarHBondContact O-CB 3.23Å; I285-A289 PolarHBondContact O-N 3.25Å |
| 286 | V | 96.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 103.1 Ų | 103.1 | 24% | 0.242 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | F282 M283 I284 A289 K290 | F282-V286 HydrophobicContact CD1-CG2 4.19Å; F282-V286 HydrophobicContact CE1-CG2 3.77Å; F282-V286 HydrophobicContact CE2-CG2 4.13Å; F282-V286 HydrophobicContact CZ-CG2 3.74Å; F282-V286 WeakPolarHBondContact O-CB 3.42Å; F282-V286 WeakPolarHBondContact O-CG2 3.32Å; F282-V286 PolarHBondContact O-N 3.46Å; M283-V286 PolarHBondContact O-N 3.4Å; I284-V286 PolarHBondContact O-N 3.3Å; V286-A289 PolarHBondContact O-N 3.02Å; V286-K290 HydrophobicContact CG1-CD 4.14Å; V286-K290 WeakPolarHBondContact O-CB 3.46Å; V286-K290 WeakPolarHBondContact O-CG 3.41Å; V286-K290 PolarHBondContact O-N 2.95Å |
| 287 | C | 95 | Very high | 94.3 | Very high | 77 Ų | 77 | 100.5 Ų | 100.5 | 52% | 0.52 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 173.5 | -81.2 | 0 | 0 | 0 | 0 | 111.8 | M283 I284 K290 K291 | M283-C287 VanDerWaalsContact O-CB 3.28Å; M283-C287 WeakPolarHBondContact O-CB 3.5Å; M283-C287 PolarHBondContact O-N 2.99Å; M283-C287 PolarHBondContact O-SG 2.99Å; M283-C287 VanDerWaalsContact O-SG 3.36Å; I284-C287 PolarHBondContact O-N 3.41Å; C287-K290 PolarHBondContact O-N 3.11Å; C287-K291 WeakPolarHBondContact O-CB 3.37Å; C287-K291 VanDerWaalsContact O-CG 3.29Å; C287-K291 WeakPolarHBondContact O-CG 3.44Å; C287-K291 PolarHBondContact O-N 3.26Å |
| 288 | F | 94.8 | Very high | 93.9 | Very high | 131 Ų | 131 | 101 Ų | 101 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 172.8 | -76.4 | -53 | 0 | 0 | 0 | 111.6 | I284 I285 K290 K291 L292 | I284-F288 HydrophobicContact CG2-CD2 3.62Å; I284-F288 HydrophobicContact CG2-CE2 3.37Å; I284-F288 HydrophobicContact CG2-CZ 4.44Å; I284-F288 VanDerWaalsContact O-CD2 3.26Å; I284-F288 WeakPolarHBondContact O-CD2 3.46Å; I284-F288 PolarHBondContact O-N 3.32Å; I285-F288 PolarHBondContact O-N 2.87Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-K290 PolarHBondContact O-N 3.49Å; F288-K291 PolarHBondContact O-N 2.89Å; F288-L292 WeakPolarHBondContact O-CB 3.38Å; F288-L292 WeakPolarHBondContact O-CG 3.18Å; F288-L292 PolarHBondContact O-N 3.24Å |
| 289 | A | 94.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 99.4 Ų | 99.4 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I285 V286 H293 | I285-A289 VanDerWaalsContact O-CB 3.29Å; I285-A289 WeakPolarHBondContact O-CB 3.23Å; I285-A289 PolarHBondContact O-N 3.25Å; V286-A289 PolarHBondContact O-N 3.02Å; A289-H293 VanDerWaalsContact O-CB 3.24Å; A289-H293 WeakPolarHBondContact O-CB 3.18Å; A289-H293 PolarHBondContact O-N 3.27Å |
| 290 | K | 94.9 | Very high | 92.5 | Very high | 142 Ų | 142 | 101 Ų | 101 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -48.7 | 174.8 | -77.1 | 176.3 | 176.7 | 174.9 | 0 | 112 | V286 C287 F288 H293 V294 | V286-K290 HydrophobicContact CG1-CD 4.14Å; V286-K290 WeakPolarHBondContact O-CB 3.46Å; V286-K290 WeakPolarHBondContact O-CG 3.41Å; V286-K290 PolarHBondContact O-N 2.95Å; C287-K290 PolarHBondContact O-N 3.11Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-K290 PolarHBondContact O-N 3.49Å; K290-H293 PolarHBondContact O-N 3.34Å; K290-V294 WeakPolarHBondContact O-CG2 3.35Å; K290-V294 PolarHBondContact O-N 2.87Å |
| 291 | K | 92.8 | Very high | 91.8 | Very high | 152 Ų | 152 | 103.3 Ų | 103.3 | 66% | 0.661 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 178.8 | -70.3 | -74.4 | -175.4 | 175 | 0 | 111.8 | C287 F288 H293 V294 L295 | C287-K291 WeakPolarHBondContact O-CB 3.37Å; C287-K291 VanDerWaalsContact O-CG 3.29Å; C287-K291 WeakPolarHBondContact O-CG 3.44Å; C287-K291 PolarHBondContact O-N 3.26Å; F288-K291 PolarHBondContact O-N 2.89Å; K291-H293 VanDerWaalsContact C-N 3.34Å; K291-H293 PolarHBondContact O-N 2.9Å; K291-V294 PolarHBondContact O-N 3.46Å; K291-L295 WeakPolarHBondContact O-CB 3.29Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.36Å; K291-L295 PolarHBondContact O-N 2.86Å |
| 292 | L | 88.9 | Confident | 90.7 | Very high | 111 Ų | 111 | 104.7 Ų | 104.7 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -39.1 | 173.6 | -71.5 | 170.6 | 0 | 0 | 0 | 111.6 | F288 K296 | F288-L292 WeakPolarHBondContact O-CB 3.38Å; F288-L292 WeakPolarHBondContact O-CG 3.18Å; F288-L292 PolarHBondContact O-N 3.24Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 PolarHBondContact O-N 3.48Å |
| 293 | H | 89.9 | Confident | 89.5 | Confident | 123 Ų | 123 | 107.7 Ų | 107.7 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 175.3 | -171.2 | -95.2 | 0 | 0 | 0 | 111.7 | A289 K290 K291 K296 T297 | A289-H293 VanDerWaalsContact O-CB 3.24Å; A289-H293 WeakPolarHBondContact O-CB 3.18Å; A289-H293 PolarHBondContact O-N 3.27Å; K290-H293 PolarHBondContact O-N 3.34Å; K291-H293 VanDerWaalsContact C-N 3.34Å; K291-H293 PolarHBondContact O-N 2.9Å; H293-K296 PolarHBondContact O-N 2.93Å; H293-T297 WeakPolarHBondContact O-CG2 3.28Å; H293-T297 PolarHBondContact O-N 3.31Å |
| 294 | V | 92.8 | Very high | 88.4 | Confident | 71 Ų | 71 | 109.6 Ų | 109.6 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.7 | -56.3 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | K290 K291 K296 T297 E298 | K290-V294 WeakPolarHBondContact O-CG2 3.35Å; K290-V294 PolarHBondContact O-N 2.87Å; K291-V294 PolarHBondContact O-N 3.46Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 PolarHBondContact O-N 2.92Å; V294-T297 PolarHBondContact O-N 2.96Å; V294-T297 PolarHBondContact O-OG1 3.27Å; V294-E298 HydrophobicContact CG1-CG 4.45Å; V294-E298 WeakPolarHBondContact O-CG 3.06Å; V294-E298 PolarHBondContact O-N 3.45Å |
| 295 | L | 87.7 | Confident | 86.9 | Confident | 91 Ų | 91 | 115.6 Ų | 115.6 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -55.9 | -37.4 | 177.8 | -72.1 | 167.3 | 0 | 0 | 0 | 112.8 | K291 N299 | K291-L295 WeakPolarHBondContact O-CB 3.29Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.36Å; K291-L295 PolarHBondContact O-N 2.86Å; L295-N299 VanDerWaalsContact O-CB 3.3Å; L295-N299 WeakPolarHBondContact O-CB 3.29Å; L295-N299 PolarHBondContact O-N 2.92Å; L295-N299 PolarHBondContact O-ND2 3.25Å |
| 296 | K | 89.2 | Confident | 85.4 | Confident | 155 Ų | 155 | 114.4 Ų | 114.4 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70 | -38 | 176.2 | -172.3 | 172.8 | -174.3 | 174.1 | 0 | 111.8 | L292 H293 V294 K300 | L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 PolarHBondContact O-N 3.48Å; H293-K296 PolarHBondContact O-N 2.93Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 PolarHBondContact O-N 2.92Å; K296-K300 WeakPolarHBondContact O-CB 3.39Å; K296-K300 PolarHBondContact O-N 2.97Å |
| 297 | T | 88.4 | Confident | 83.6 | Confident | 48 Ų | 48 | 121.5 Ų | 121.5 | 29% | 0.294 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.1 | -37.9 | 172.9 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | H293 V294 K300 K301 | H293-T297 WeakPolarHBondContact O-CG2 3.28Å; H293-T297 PolarHBondContact O-N 3.31Å; V294-T297 PolarHBondContact O-N 2.96Å; V294-T297 PolarHBondContact O-OG1 3.27Å; T297-K300 PolarHBondContact O-N 3.08Å; T297-K301 VanDerWaalsContact O-CG 3.32Å; T297-K301 WeakPolarHBondContact O-CG 3.3Å; T297-K301 PolarHBondContact O-N 3.32Å |
| 298 | E | 88.8 | Confident | 81.3 | Confident | 90 Ų | 90 | 127.8 Ų | 127.8 | 42% | 0.421 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.6 | -46.7 | 176.8 | -70.1 | 173.8 | 159.2 | 0 | 0 | 111.6 | V294 K300 K301 L302 | V294-E298 HydrophobicContact CG1-CG 4.45Å; V294-E298 WeakPolarHBondContact O-CG 3.06Å; V294-E298 PolarHBondContact O-N 3.45Å; E298-K300 VanDerWaalsContact C-N 3.27Å; E298-K300 PolarHBondContact O-N 3.25Å; E298-K301 WeakPolarHBondContact O-CA 3.28Å; E298-K301 WeakPolarHBondContact O-CB 3.39Å; E298-K301 PolarHBondContact O-N 3.3Å; E298-K301 VanDerWaalsContact O-N 3.08Å; E298-L302 WeakPolarHBondContact O-CG 3.36Å; E298-L302 PolarHBondContact O-N 3.09Å |
| 299 | N | 83.8 | Confident | 79 | Confident | 82 Ų | 82 | 132 Ų | 132 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.5 | -37.5 | 171.3 | -85.8 | -91.3 | 0 | 0 | 0 | 112 | L295 L302 R303 | L295-N299 VanDerWaalsContact O-CB 3.3Å; L295-N299 WeakPolarHBondContact O-CB 3.29Å; L295-N299 PolarHBondContact O-N 2.92Å; L295-N299 PolarHBondContact O-ND2 3.25Å; N299-L302 PolarHBondContact O-N 2.76Å; N299-R303 WeakPolarHBondContact O-CB 3.37Å; N299-R303 WeakPolarHBondContact O-CG 3.45Å; N299-R303 PolarHBondContact O-N 3.39Å |
| 300 | K | 82.5 | Confident | 76.6 | Confident | 142 Ų | 142 | 133.9 Ų | 133.9 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68 | -34.1 | 174.5 | -167.6 | 172.4 | -175.6 | 177.7 | 0 | 112.2 | K296 T297 E298 K304 | K296-K300 WeakPolarHBondContact O-CB 3.39Å; K296-K300 PolarHBondContact O-N 2.97Å; T297-K300 PolarHBondContact O-N 3.08Å; E298-K300 VanDerWaalsContact C-N 3.27Å; E298-K300 PolarHBondContact O-N 3.25Å; K300-K304 WeakPolarHBondContact O-CB 3.41Å; K300-K304 WeakPolarHBondContact O-CG 3.24Å; K300-K304 PolarHBondContact O-N 3.33Å; K300-K304 VanDerWaalsContact O-N 3.12Å |
| 301 | K | 81.6 | Confident | 74.4 | Confident | 143 Ų | 143 | 133.4 Ų | 133.4 | 62% | 0.622 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.7 | -47.6 | 170.9 | -72.1 | 166.9 | -178.4 | 174.7 | 0 | 111.2 | T297 E298 K304 R305 | T297-K301 VanDerWaalsContact O-CG 3.32Å; T297-K301 WeakPolarHBondContact O-CG 3.3Å; T297-K301 PolarHBondContact O-N 3.32Å; E298-K301 WeakPolarHBondContact O-CA 3.28Å; E298-K301 WeakPolarHBondContact O-CB 3.39Å; E298-K301 PolarHBondContact O-N 3.3Å; E298-K301 VanDerWaalsContact O-N 3.08Å; K301-K304 WeakPolarHBondContact O-CB 3.4Å; K301-K304 PolarHBondContact O-N 2.85Å; K301-R305 PolarHBondContact O-N 3.38Å |
| 302 | L | 74.9 | Confident | 72.5 | Confident | 114 Ų | 114 | 130.3 Ų | 130.3 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.5 | -46.7 | 178.7 | -68.8 | 175.1 | 0 | 0 | 0 | 112.2 | E298 N299 K304 R305 S306 | E298-L302 WeakPolarHBondContact O-CG 3.36Å; E298-L302 PolarHBondContact O-N 3.09Å; N299-L302 PolarHBondContact O-N 2.76Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 3.3Å; L302-R305 PolarHBondContact O-N 3.29Å; L302-S306 PolarHBondContact O-N 3.5Å; L302-S306 PolarHBondContact O-OG 3.46Å |
| 303 | R | 73 | Confident | 70.4 | Confident | 186 Ų | 186 | 133.3 Ų | 133.3 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.6 | -33.7 | 174.4 | -72.6 | -178.1 | 179.6 | -161.6 | -1 | 112.6 | N299 S306 K307 | N299-R303 WeakPolarHBondContact O-CB 3.37Å; N299-R303 WeakPolarHBondContact O-CG 3.45Å; N299-R303 PolarHBondContact O-N 3.39Å; R303-S306 PolarHBondContact O-OG 3.32Å; R303-K307 WeakPolarHBondContact O-CB 3.34Å; R303-K307 PolarHBondContact O-N 3.44Å |
| 304 | K | 73.7 | Confident | 68.4 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.5 | -40 | 170.8 | -82.5 | -175.6 | 171.2 | -162.6 | 0 | 112.3 | K300 K301 L302 | K300-K304 WeakPolarHBondContact O-CB 3.41Å; K300-K304 WeakPolarHBondContact O-CG 3.24Å; K300-K304 PolarHBondContact O-N 3.33Å; K300-K304 VanDerWaalsContact O-N 3.12Å; K301-K304 WeakPolarHBondContact O-CB 3.4Å; K301-K304 PolarHBondContact O-N 2.85Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 3.3Å |
| 305 | R | 65 | Low | 65.9 | Low | 210 Ų | 210 | 139.9 Ų | 139.9 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.6 | -37.7 | -179.7 | -160.5 | 174.2 | -171.6 | 170.9 | 2.5 | 112.4 | K301 L302 Y308 | K301-R305 PolarHBondContact O-N 3.38Å; L302-R305 PolarHBondContact O-N 3.29Å; R305-Y308 PolarHBondContact O-N 2.8Å |
| 306 | S | 64.3 | Low | 64 | Low | 84 Ų | 84 | 142 Ų | 142 | 59% | 0.587 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.4 | -33.3 | 174.8 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | L302 R303 Y308 R309 | L302-S306 PolarHBondContact O-N 3.5Å; L302-S306 PolarHBondContact O-OG 3.46Å; R303-S306 PolarHBondContact O-OG 3.32Å; S306-Y308 PolarHBondContact O-N 2.84Å; S306-Y308 VanDerWaalsContact O-N 3.1Å; S306-R309 PolarHBondContact O-N 2.86Å |
| 307 | K | 58.8 | Low | 61.8 | Low | 188 Ų | 188 | 140.5 Ų | 140.5 | 82% | 0.817 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 8.9 | 174.2 | -149.9 | 172.5 | -173.8 | -179.9 | 0 | 114 | R303 | R303-K307 WeakPolarHBondContact O-CB 3.34Å; R303-K307 PolarHBondContact O-N 3.44Å |
| 308 | Y | 48.2 | Very low | 60 | Low | 210 Ų | 210 | 144.8 Ų | 144.8 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 19.5 | 170.4 | -137.8 | -89.1 | 0 | 0 | 0 | 112.6 | R305 S306 | R305-Y308 PolarHBondContact O-N 2.8Å; S306-Y308 PolarHBondContact O-N 2.84Å; S306-Y308 VanDerWaalsContact O-N 3.1Å |
| 309 | R | 45.1 | Very low | 57.8 | Low | 220 Ų | 220 | 150 Ų | 150 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -67 | 128.7 | 163.1 | -172.6 | 178.3 | -176.5 | 108.9 | 1 | 108.5 | S306 | S306-R309 PolarHBondContact O-N 2.86Š|
| 310 | P | 43.6 | Very low | 56.3 | Low | 97 Ų | 97 | 151.4 Ų | 151.4 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | trans | -59 | 144.2 | 179.7 | -25.9 | 35.3 | 0 | 0 | 0 | 113.1 | S312 | P310-S312 VanDerWaalsContact C-N 3.31Å; P310-S312 PolarHBondContact O-N 3.4Å | ||
| 311 | S | 48.8 | Very low | 54.7 | Low | 133 Ų | 133 | 151.9 Ų | 151.9 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | trans | -90.4 | 65.2 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 312 | S | 53.2 | Low | 53 | Low | 86 Ų | 86 | 150 Ų | 150 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | trans | -153.7 | 140 | 173.1 | 57.4 | 0 | 0 | 0 | 0 | 108.2 | P310 | P310-S312 VanDerWaalsContact C-N 3.31Å; P310-S312 PolarHBondContact O-N 3.4Å | ||
| 313 | E | 44.9 | Very low | 51.9 | Low | 174 Ų | 174 | 151.5 Ų | 151.5 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | cis | -113.3 | 135.9 | 8.6 | -72 | 133.1 | 80 | 0 | 0 | 113.3 | ||||
| 314 | Q | 47.8 | Very low | 50.9 | Low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -111 | 54.8 | 150.5 | -167.6 | 179.1 | -12.6 | 0 | 0 | 108.7 | ||||
| 315 | H | 41.6 | Very low | 49.3 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -102.7 | 99.1 | 164.6 | -169.5 | 7.7 | 0 | 0 | 0 | 107 | D317 | H315-D317 IonicContact CE1-OD2 3.89Å; H315-D317 PolarHBondContact O-N 2.87Å | ||
| 316 | N | 46.8 | Very low | 48.1 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -65.9 | 122.7 | 152.9 | -69.6 | -84.6 | 0 | 0 | 0 | 105.6 | ||||
| 317 | D | 44.2 | Very low | 46.7 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | trans | -151.7 | 148.7 | 130.8 | -117 | -44.5 | 0 | 0 | 0 | 114.3 | H315 F319 | H315-D317 IonicContact CE1-OD2 3.89Å; H315-D317 PolarHBondContact O-N 2.87Å; D317-F319 PolarHBondContact O-N 2.82Å | ||
| 318 | N | 50.2 | Low | 45.5 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -54.1 | 116.3 | -171.5 | -63.2 | -94.7 | 0 | 0 | 0 | 114 | ||||
| 319 | F | 42.4 | Very low | 45.2 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -142.4 | 81.5 | 153.5 | -131 | -83.4 | 0 | 0 | 0 | 113.1 | D317 L321 | D317-F319 PolarHBondContact O-N 2.82Å; F319-L321 PolarHBondContact O-N 3.21Å | ||
| 320 | S | 51.4 | Low | 45.7 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -69 | 120.3 | 164.3 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 321 | L | 49.5 | Very low | 45.1 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -161.9 | 117.4 | 143.7 | -110.1 | 172.8 | 0 | 0 | 0 | 112.9 | F319 | F319-L321 PolarHBondContact O-N 3.21Š| ||
| 322 | S | 46.4 | Very low | 44.5 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -40.9 | 136.8 | 178.6 | -45.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 323 | T | 51.1 | Low | 44 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -129.9 | 91.9 | 138.7 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 324 | I | 51.7 | Low | 43.5 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | -121.9 | 105.8 | 169.1 | -57.9 | 178.5 | 0 | 0 | 0 | 109 | ||||
| 325 | A | 41.4 | Very low | 42.8 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -152.7 | 140.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 326 | E | 39.2 | Very low | 42.5 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | cis | -130.2 | -176.7 | 12.9 | -126.2 | 160.4 | 123.8 | 0 | 0 | 112.1 | ||||
| 327 | G | 33.9 | Very low | 41.7 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -71.2 | 175 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 328 | S | 35.4 | Very low | 41.3 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | cis | -155.6 | 171.1 | 10.3 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 329 | H | 40 | Very low | 41.1 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -85.7 | 168.3 | -170.9 | -98 | -72.1 | 0 | 0 | 0 | 114.3 | ||||
| 330 | P | 56 | Low | 41 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | trans | -96.3 | 176.6 | -153.4 | 39.5 | -40.4 | 0 | 0 | 0 | 115.1 | ||||
| 331 | N | 32 | Very low | 40.7 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -163.2 | 141.5 | 144.9 | -102.7 | -32.2 | 0 | 0 | 0 | 117.1 | ||||
| 332 | V | 34.8 | Very low | 40.4 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | 46.3 | 112.9 | 138.8 | -176.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 333 | R | 43 | Very low | 40.4 | Very low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | 23 | 147.5 | 135.4 | -63.2 | -177.5 | 168.6 | 114.6 | -3.4 | 122.2 | ||||
| 334 | K | 35.3 | Very low | 40 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | 81.7 | 149.5 | -179.2 | -59.3 | -173.2 | 178.2 | -175 | 0 | 112.2 | ||||
| 335 | L | 32.2 | Very low | 39.8 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | cis | -128.2 | 163 | 14.2 | -169.4 | 62.4 | 0 | 0 | 0 | 112 | ||||
| 336 | C | 35.1 | Very low | 40.2 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -92.9 | 126.8 | 168.2 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 337 | D | 30.2 | Very low | 40.9 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -149.6 | 154.4 | 158.2 | -92.9 | -52.2 | 0 | 0 | 0 | 108.9 | ||||
| 338 | T | 36.3 | Very low | 41.7 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -107.9 | -176.7 | -161.5 | -24.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 339 | P | 46.3 | Very low | 42.5 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | -91.5 | -179.5 | -117.4 | 41.7 | -29.5 | 0 | 0 | 0 | 114.6 | |||||
| 340 | P | 40.6 | Very low | 42.9 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | -124.9 | 152.3 | 116.1 | 36 | -33.2 | 0 | 0 | 0 | 115.1 | |||||
| 341 | N | 45.3 | Very low | 42.7 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -59.2 | 127.6 | -177.4 | 180 | 7.3 | 0 | 0 | 0 | 114.2 | ||||
| 342 | V | 42.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -138.7 | 116.2 | 164.5 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | H344 | V342-H344 PolarHBondContact O-N 3.27Š| ||
| 343 | P | 46.4 | Very low | 44.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 6.2 | -160.9 | 31.2 | -36.7 | 0 | 0 | 0 | 117.3 | ||
| 344 | H | 43.6 | Very low | 45.5 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 75% | 0.75 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -9.2 | -171.6 | -83.3 | -75.4 | 0 | 0 | 0 | 117.2 | V342 R346 | V342-H344 PolarHBondContact O-N 3.27Å; H344-R346 VanDerWaalsContact C-N 3.29Å; H344-R346 PolarHBondContact O-N 2.86Å |
| 345 | A | 47.2 | Very low | 46.4 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -16.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A347 | A345-A347 PolarHBondContact O-N 3.49Š|
| 346 | R | 49.7 | Very low | 47.4 | Very low | 228 Ų | 228 | 119.8 Ų | 119.8 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.1 | -21.9 | -174.4 | -82 | -175.9 | 171.9 | 170.1 | -2.2 | 115.1 | H344 | H344-R346 VanDerWaalsContact C-N 3.29Å; H344-R346 PolarHBondContact O-N 2.86Å |
| 347 | A | 53.1 | Low | 48.1 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.5 | -43.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A345 Y350 Y351 | A345-A347 PolarHBondContact O-N 3.49Å; A347-Y350 PolarHBondContact O-N 3.35Å; A347-Y351 WeakPolarHBondContact O-CD2 3.49Å |
| 348 | L | 50.9 | Low | 49 | Very low | 136 Ų | 136 | 121 Ų | 121 | 71% | 0.712 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.3 | -43.6 | -174.6 | -63.3 | 175.4 | 0 | 0 | 0 | 112.2 | Y350 Y351 D352 | L348-Y350 PolarHBondContact O-N 2.88Å; L348-Y350 VanDerWaalsContact O-N 3.09Å; L348-Y351 PolarHBondContact O-N 3.26Å; L348-Y351 VanDerWaalsContact O-N 3.09Å; L348-D352 PolarHBondContact O-N 2.9Å |
| 349 | A | 52.7 | Low | 49.9 | Very low | 54 Ų | 54 | 117.3 Ų | 117.3 | 45% | 0.446 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.6 | -19.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | N353 | A349-N353 PolarHBondContact O-ND2 3.44Å |
| 350 | Y | 48.8 | Very low | 50.1 | Low | 158 Ų | 158 | 118.7 Ų | 118.7 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.2 | -40.7 | 175.1 | -165.9 | -106.4 | 0 | 0 | 0 | 112 | A347 L348 I354 | A347-Y350 PolarHBondContact O-N 3.35Å; L348-Y350 PolarHBondContact O-N 2.88Å; L348-Y350 VanDerWaalsContact O-N 3.09Å; Y350-I354 HydrophobicContact CD1-CD1 3.88Å; Y350-I354 HydrophobicContact CE1-CD1 3.6Å; Y350-I354 WeakPolarHBondContact O-CG1 3.34Å; Y350-I354 PolarHBondContact O-N 2.86Å |
| 351 | Y | 49.9 | Very low | 50.6 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76 | -38.3 | -179 | -74.4 | -77 | 0 | 0 | 0 | 113.1 | A347 L348 N353 I354 I355 | A347-Y351 WeakPolarHBondContact O-CD2 3.49Å; L348-Y351 PolarHBondContact O-N 3.26Å; L348-Y351 VanDerWaalsContact O-N 3.09Å; Y351-N353 VanDerWaalsContact C-N 3.34Å; Y351-N353 PolarHBondContact O-N 2.88Å; Y351-I354 PolarHBondContact O-N 2.87Å; Y351-I355 WeakPolarHBondContact O-CG1 3.47Å; Y351-I355 PolarHBondContact O-N 2.94Å |
| 352 | D | 54.4 | Low | 50.8 | Low | 104 Ų | 104 | 116.4 Ų | 116.4 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61 | -42.3 | 176.6 | -75.1 | -28.6 | 0 | 0 | 0 | 111.9 | L348 I354 I355 C356 | L348-D352 PolarHBondContact O-N 2.9Å; D352-I354 PolarHBondContact O-N 3.08Å; D352-I355 PolarHBondContact O-N 3.43Å; D352-C356 PolarHBondContact O-N 3.36Å |
| 353 | N | 55.9 | Low | 50.7 | Low | 113 Ų | 113 | 118 Ų | 118 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62 | -41 | 175.6 | -83.9 | -69.5 | 0 | 0 | 0 | 112.3 | A349 Y351 C356 Q357 | A349-N353 PolarHBondContact O-ND2 3.44Å; Y351-N353 VanDerWaalsContact C-N 3.34Å; Y351-N353 PolarHBondContact O-N 2.88Å; N353-C356 PolarHBondContact O-N 3.26Å; N353-Q357 VanDerWaalsContact O-CB 3.31Å; N353-Q357 WeakPolarHBondContact O-CB 3.41Å; N353-Q357 PolarHBondContact O-N 2.86Å |
| 354 | I | 58.5 | Low | 50.8 | Low | 71 Ų | 71 | 117.2 Ų | 117.2 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 176.6 | -69.8 | 171.2 | 0 | 0 | 0 | 111.3 | Y350 Y351 D352 K358 | Y350-I354 HydrophobicContact CD1-CD1 3.88Å; Y350-I354 HydrophobicContact CE1-CD1 3.6Å; Y350-I354 WeakPolarHBondContact O-CG1 3.34Å; Y350-I354 PolarHBondContact O-N 2.86Å; Y351-I354 PolarHBondContact O-N 2.87Å; D352-I354 PolarHBondContact O-N 3.08Å; I354-K358 WeakPolarHBondContact O-CB 3.35Å; I354-K358 PolarHBondContact O-N 3.34Å; I354-K358 VanDerWaalsContact O-N 3.09Å |
| 355 | I | 55.4 | Low | 50.9 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 54% | 0.538 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.8 | -47.8 | 176.5 | -68.5 | 168.5 | 0 | 0 | 0 | 110.4 | Y351 D352 K358 T359 | Y351-I355 WeakPolarHBondContact O-CG1 3.47Å; Y351-I355 PolarHBondContact O-N 2.94Å; D352-I355 PolarHBondContact O-N 3.43Å; I355-K358 PolarHBondContact O-N 2.84Å; I355-T359 PolarHBondContact O-N 3.12Å; I355-T359 VanDerWaalsContact O-N 3.08Å; I355-T359 PolarHBondContact O-OG1 2.88Å |
| 356 | C | 52.3 | Low | 50.9 | Low | 81 Ų | 81 | 117.8 Ų | 117.8 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -41.7 | 177.3 | -77.4 | 0 | 0 | 0 | 0 | 113 | D352 N353 K358 T359 M360 | D352-C356 PolarHBondContact O-N 3.36Å; N353-C356 PolarHBondContact O-N 3.26Å; C356-K358 VanDerWaalsContact C-N 3.3Å; C356-K358 PolarHBondContact O-N 3.33Å; C356-T359 PolarHBondContact O-N 2.96Å; C356-T359 PolarHBondContact O-OG1 2.9Å; C356-M360 VanDerWaalsContact O-CB 3.3Å; C356-M360 WeakPolarHBondContact O-CB 3.33Å; C356-M360 PolarHBondContact O-N 2.99Å |
| 357 | Q | 50.2 | Low | 50.5 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 68% | 0.682 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.2 | -37.6 | 177.3 | -163.4 | 177.4 | 43.2 | 0 | 0 | 111.4 | N353 T359 S361 | N353-Q357 VanDerWaalsContact O-CB 3.31Å; N353-Q357 WeakPolarHBondContact O-CB 3.41Å; N353-Q357 PolarHBondContact O-N 2.86Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 3.1Å; Q357-S361 VanDerWaalsContact O-CB 3.27Å; Q357-S361 WeakPolarHBondContact O-CB 3.38Å; Q357-S361 PolarHBondContact O-N 2.94Å |
| 358 | K | 49.9 | Very low | 49.6 | Very low | 148 Ų | 148 | 116.5 Ų | 116.5 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -81.3 | -5.7 | 179.6 | -162.3 | 166.1 | -173.9 | 170 | 0 | 114.6 | I354 I355 C356 R362 | I354-K358 WeakPolarHBondContact O-CB 3.35Å; I354-K358 PolarHBondContact O-N 3.34Å; I354-K358 VanDerWaalsContact O-N 3.09Å; I355-K358 PolarHBondContact O-N 2.84Å; C356-K358 VanDerWaalsContact C-N 3.3Å; C356-K358 PolarHBondContact O-N 3.33Å; K358-R362 PolarHBondContact O-NE 2.76Å; K358-R362 PolarHBondContact O-NH2 3.2Å |
| 359 | T | 53.5 | Low | 49 | Very low | 55 Ų | 55 | 115.8 Ų | 115.8 | 34% | 0.337 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -95.6 | -46 | 162.1 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | I355 C356 Q357 S361 R362 Y363 | I355-T359 PolarHBondContact O-N 3.12Å; I355-T359 VanDerWaalsContact O-N 3.08Å; I355-T359 PolarHBondContact O-OG1 2.88Å; C356-T359 PolarHBondContact O-N 2.96Å; C356-T359 PolarHBondContact O-OG1 2.9Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 3.1Å; T359-S361 PolarHBondContact O-N 3.36Å; T359-R362 WeakPolarHBondContact O-CA 3.21Å; T359-R362 VanDerWaalsContact O-CB 3.27Å; T359-R362 WeakPolarHBondContact O-CB 3.32Å; T359-R362 PolarHBondContact O-N 3.37Å; T359-Y363 WeakPolarHBondContact O-CD2 3.49Å |
| 360 | M | 50.3 | Low | 48.6 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -54.1 | -51.5 | 178 | -160.4 | 76.1 | 151.9 | 0 | 0 | 112 | C356 R362 Y363 T364 | C356-M360 VanDerWaalsContact O-CB 3.3Å; C356-M360 WeakPolarHBondContact O-CB 3.33Å; C356-M360 PolarHBondContact O-N 2.99Å; M360-R362 PolarHBondContact O-N 3.2Å; M360-Y363 PolarHBondContact O-N 2.9Å; M360-Y363 VanDerWaalsContact O-N 3.11Å; M360-T364 PolarHBondContact O-N 3.06Å |
| 361 | S | 51.4 | Low | 48.2 | Very low | 80 Ų | 80 | 122.4 Ų | 122.4 | 56% | 0.559 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -10.7 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 114 | Q357 T359 | Q357-S361 VanDerWaalsContact O-CB 3.27Å; Q357-S361 WeakPolarHBondContact O-CB 3.38Å; Q357-S361 PolarHBondContact O-N 2.94Å; T359-S361 PolarHBondContact O-N 3.36Å |
| 362 | R | 49.4 | Very low | 47.5 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.1 | -6.1 | -179.9 | -141.2 | -174.1 | -50.4 | 172.8 | 10.8 | 113.7 | K358 T359 M360 W365 | K358-R362 PolarHBondContact O-NE 2.76Å; K358-R362 PolarHBondContact O-NH2 3.2Å; T359-R362 WeakPolarHBondContact O-CA 3.21Å; T359-R362 VanDerWaalsContact O-CB 3.27Å; T359-R362 WeakPolarHBondContact O-CB 3.32Å; T359-R362 PolarHBondContact O-N 3.37Å; M360-R362 PolarHBondContact O-N 3.2Å; R362-W365 PolarHBondContact O-NE1 3.41Å |
| 363 | Y | 42.1 | Very low | 46.7 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 58% | 0.584 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -26.3 | 174.9 | -64.1 | -66.9 | 0 | 0 | 0 | 112.6 | T359 M360 W365 E366 C367 | T359-Y363 WeakPolarHBondContact O-CD2 3.49Å; M360-Y363 PolarHBondContact O-N 2.9Å; M360-Y363 VanDerWaalsContact O-N 3.11Å; Y363-W365 VanDerWaalsContact C-N 3.26Å; Y363-W365 PolarHBondContact O-N 3.44Å; Y363-E366 PolarHBondContact O-N 3.43Å; Y363-C367 PolarHBondContact O-N 3.26Å |
| 364 | T | 48.5 | Very low | 45.5 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.4 | -28.7 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | M360 | M360-T364 PolarHBondContact O-N 3.06Å |
| 365 | W | 45 | Very low | 44.1 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 58% | 0.576 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81 | -24.7 | 173.4 | 65.1 | -89.8 | 0 | 0 | 0 | 113.5 | R362 Y363 | R362-W365 PolarHBondContact O-NE1 3.41Å; Y363-W365 VanDerWaalsContact C-N 3.26Å; Y363-W365 PolarHBondContact O-N 3.44Å |
| 366 | E | 46.8 | Very low | 42.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 51% | 0.505 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -75.1 | -26.4 | 175.7 | -68.7 | -167.4 | 151.9 | 0 | 0 | 111.9 | Y363 | Y363-E366 PolarHBondContact O-N 3.43Å |
| 367 | C | 41.7 | Very low | 41.8 | Very low | 89 Ų | 89 | 137 Ų | 137 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.7 | -37.9 | 174.5 | -63.6 | 0 | 0 | 0 | 0 | 113.6 | Y363 T369 K370 | Y363-C367 PolarHBondContact O-N 3.26Å; C367-T369 PolarHBondContact O-N 3.25Å; C367-K370 PolarHBondContact O-N 3.38Å |
| 368 | K | 33.8 | Very low | 40.9 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -1.9 | -170.3 | -166.6 | 53.6 | -179.9 | 172.8 | 0 | 115.3 | ||
| 369 | T | 39.3 | Very low | 40.3 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 12.9 | -178.3 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | C367 | C367-T369 PolarHBondContact O-N 3.25Š|
| 370 | K | 43.6 | Very low | 39.1 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -146.8 | 36.6 | -173.1 | -147.9 | -178 | -179.1 | -176.8 | 0 | 115.4 | C367 | C367-K370 PolarHBondContact O-N 3.38Š|
| 371 | E | 41 | Very low | 38.4 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -129 | 131.9 | 177.4 | -165.4 | 159.5 | -143.4 | 0 | 0 | 109.2 | ||
| 372 | E | 35 | Very low | 37.7 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | 54.1 | 104.2 | 168.6 | -66.1 | 176 | 154.8 | 0 | 0 | 119.3 | ||||
| 373 | S | 38.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -107.2 | 149.1 | 144.6 | 57.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 374 | D | 30.7 | Very low | 36.1 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | 96.6 | 155.7 | 166.7 | -150.2 | 9.8 | 0 | 0 | 0 | 117.3 | ||||
| 375 | C | 27.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 145 Ų | 145 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | 79.1 | 89.5 | -177.8 | -57.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 376 | E | 30.8 | Very low | 34.8 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 96% | 0.963 | 76% | 0.757 | S | S | * | * | -163.7 | 162.3 | 116.2 | -109.7 | -173.7 | 156.1 | 0 | 0 | 110.6 | |||||
| 377 | D | 28.2 | Very low | 34 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -138 | 144.5 | -149.1 | -150.1 | -13.3 | 0 | 0 | 0 | 115.3 | ||||
| 378 | D | 32.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 53.3 | 177.1 | 168.6 | -124.4 | 14.1 | 0 | 0 | 0 | 117.8 | ||||
| 379 | P | 36.4 | Very low | 34 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -129.3 | 127.5 | -13.4 | 35.3 | -17.1 | 0 | 0 | 0 | 115.7 | ||||
| 380 | H | 30.1 | Very low | 33.4 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | trans | -163.2 | 98.2 | 140.5 | -113.6 | -44.7 | 0 | 0 | 0 | 112.6 | ||||
| 381 | S | 34.9 | Very low | 32.6 | Very low | 96 Ų | 96 | 145 Ų | 145 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -112.5 | 163.9 | 167.8 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 382 | Q | 35.6 | Very low | 32.9 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 104.3 | 119 | -172 | -67.5 | -173.1 | 36.8 | 0 | 0 | 113.3 | ||||
| 383 | N | 29.3 | Very low | 33.5 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -146 | -164.6 | 0.4 | -75.8 | -51.6 | 0 | 0 | 0 | 107.6 | ||||
| 384 | K | 29.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | -159.2 | 94.5 | 12.1 | -169.2 | -131.2 | 120 | -82.6 | 0 | 113.9 | ||||
| 385 | L | 35.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 145 Ų | 145 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | 65 | 129.2 | 134.3 | -168 | 76.8 | 0 | 0 | 0 | 121.8 | ||||
| 386 | E | 31 | Very low | 33.7 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 87 | 144.1 | 156.5 | -84.1 | 153.4 | 42.5 | 0 | 0 | 122.5 | ||||
| 387 | D | 30.3 | Very low | 34 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -145.9 | 154.2 | -170.6 | -171.7 | 33.5 | 0 | 0 | 0 | 106.2 | ||||
| 388 | P | 42.3 | Very low | 34.2 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | -156.7 | 148.8 | 76.9 | 38.5 | -15.3 | 0 | 0 | 0 | 120.1 | |||||
| 389 | V | 32 | Very low | 34.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 63.3 | 120.3 | 136.3 | 175.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 390 | K | 27 | Very low | 34.1 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 90% | 0.9 | 77% | 0.772 | S | S | * | * | -164 | 151.6 | 125.1 | -150.3 | 171.8 | 179.8 | -178.1 | 0 | 114.4 | |||||
| 391 | A | 27.7 | Very low | 34.4 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -158.9 | -172.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 392 | P | 46.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -108.5 | -137.3 | -20.4 | 46.4 | -32.4 | 0 | 0 | 0 | 108.4 | ||||
| 393 | P | 47.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | cis | -95.1 | -171.4 | -16.9 | 34.1 | -18.7 | 0 | 0 | 0 | 112.3 | ||||
| 394 | K | 34.8 | Very low | 34.5 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | cis | 86.4 | 123.2 | 23 | -51.2 | -168.4 | 172.2 | -162.1 | 0 | 119.8 | ||||
| 395 | E | 33.8 | Very low | 34.9 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -154 | 159.3 | 133.8 | 53.8 | -161.4 | 142.9 | 0 | 0 | 111.3 | ||||
| 396 | D | 32.4 | Very low | 34.8 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -114.3 | 152.7 | -171.7 | -73 | -95 | 0 | 0 | 0 | 111.3 | ||||
| 397 | D | 35.8 | Very low | 35.1 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -152.7 | 157.2 | 138.8 | -150 | -16.1 | 0 | 0 | 0 | 111.7 | ||||
| 398 | S | 32.7 | Very low | 35 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -149.3 | 109.9 | -170.9 | -74.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 399 | L | 34.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -102 | 118.2 | 179.5 | -64.3 | 178.5 | 0 | 0 | 0 | 112.4 | ||||
| 400 | N | 31.6 | Very low | 34.2 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -145.4 | 109.1 | 178.2 | -172.2 | 27.8 | 0 | 0 | 0 | 112.4 | ||||
| 401 | I | 38 | Very low | 34.4 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 46.2 | 118.1 | 152.7 | -60.2 | 170.4 | 0 | 0 | 0 | 118.9 | ||||
| 402 | H | 35.9 | Very low | 34.6 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | -146.9 | 163.2 | 120.3 | -144.8 | -92.8 | 0 | 0 | 0 | 113.8 | |||||
| 403 | N | 31.9 | Very low | 33.9 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -117.6 | 173.9 | -175.2 | -174.5 | 24 | 0 | 0 | 0 | 111.5 | ||||
| 404 | S | 33.7 | Very low | 33.2 | Very low | 86 Ų | 86 | 150.9 Ų | 150.9 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | trans | 87.1 | 116.4 | 157.9 | -50.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 405 | L | 37.8 | Very low | 33.1 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | -169.7 | 169.4 | 118.1 | -101.8 | 163.4 | 0 | 0 | 0 | 112.4 | |||||
| 406 | T | 33.6 | Very low | 33 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -93.4 | 150.7 | -164.3 | 50.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 407 | P | 36.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -74.2 | 146.7 | 172.9 | 32.3 | -35.2 | 0 | 0 | 0 | 112.2 | ||||
| 408 | K | 28.6 | Very low | 32.8 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 90% | 0.9 | 76% | 0.764 | S | S | * | * | trans | -140.5 | 130 | 169 | -149.2 | 179.5 | -173.8 | -171 | 0 | 111.6 | ||||
| 409 | H | 30.8 | Very low | 32.8 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -49.9 | 136.3 | -179.6 | 159.4 | -72.4 | 0 | 0 | 0 | 116.2 | N411 | H409-N411 PolarHBondContact NE2-ND2 3.18Å; H409-N411 VanDerWaalsContact NE2-ND2 3.18Å | ||
| 410 | E | 27.1 | Very low | 33 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -156.2 | 165.8 | 130.1 | -150.8 | 102.5 | -103.2 | 0 | 0 | 110.4 | ||||
| 411 | N | 30.5 | Very low | 33.2 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | -110.4 | 147.6 | -167.8 | -88.3 | -88.6 | 0 | 0 | 0 | 113.6 | H409 | H409-N411 PolarHBondContact NE2-ND2 3.18Å; H409-N411 VanDerWaalsContact NE2-ND2 3.18Å | ||
| 412 | H | 33 | Very low | 33.2 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | -170.3 | 143.4 | 111.7 | -124.8 | -65.1 | 0 | 0 | 0 | 116.8 | |||||
| 413 | K | 31.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | trans | 66.9 | 84.3 | 143.5 | -140.2 | 176.7 | -166.2 | -62.8 | 0 | 119.8 | ||||
| 414 | V | 32.2 | Very low | 33.3 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -102.8 | 147.4 | 136.8 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 415 | L | 33.3 | Very low | 33.5 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -85.6 | 135.4 | 176.3 | -168 | 76.2 | 0 | 0 | 0 | 109.4 | ||||
| 416 | G | 31.3 | Very low | 33.8 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -167.6 | 71.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 417 | E | 31.8 | Very low | 34.1 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -84.7 | 145.2 | 164.3 | -77.6 | 148.1 | 130.7 | 0 | 0 | 108.9 | ||||
| 418 | E | 31.8 | Very low | 34.1 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | cis | -160.6 | 160.4 | -5 | 48.5 | -156.6 | 127.3 | 0 | 0 | 113.7 | ||||
| 419 | N | 34.2 | Very low | 34.4 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -38.9 | 169.7 | 175.2 | -92 | -2.3 | 0 | 0 | 0 | 119 | ||||
| 420 | S | 37.1 | Very low | 34.8 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 58% | 0.58 | 77% | 0.772 | S | S | * | * | cis | 170.2 | -175.3 | -20.4 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 421 | S | 37.8 | Very low | 35.3 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 66.8 | 127.3 | 161.7 | 54.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 422 | E | 37.2 | Very low | 35.5 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | cis | 92.6 | 104 | 37.3 | -71.4 | -163.2 | 110.9 | 0 | 0 | 115.9 | ||||
| 423 | V | 35.9 | Very low | 35.7 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | 18.6 | 123 | 148.3 | -85.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 424 | N | 34.9 | Very low | 35.9 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | 71.7 | 106.3 | 126.9 | -168.9 | 19.2 | 0 | 0 | 0 | 119.9 | |||||
| 425 | S | 37.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -150.3 | 149.6 | 133.6 | -83.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 426 | L | 44.6 | Very low | 36.3 | Very low | 150 Ų | 150 | 148 Ų | 148 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -73.6 | 145.5 | 177.7 | -49.7 | 93.7 | 0 | 0 | 0 | 110.6 | ||||
| 427 | Q | 38.9 | Very low | 36.6 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | -176.3 | 148.2 | 112.5 | -98.8 | 161.8 | 7.6 | 0 | 0 | 114.6 | |||||
| 428 | N | 36.8 | Very low | 37 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -35.8 | 141.6 | 172.1 | -43.1 | -31.3 | 0 | 0 | 0 | 115.7 | ||||
| 429 | N | 34.6 | Very low | 37.4 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | -171.9 | 152.4 | 94.7 | -90.4 | -34.9 | 0 | 0 | 0 | 112.8 | |||||
| 430 | M | 38.4 | Very low | 37.6 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -83.4 | 151.4 | 156.5 | -64.3 | 172.8 | -75.6 | 0 | 0 | 109 | ||||
| 431 | M | 38.3 | Very low | 37.7 | Very low | 260 Ų | 260 | 157.3 Ų | 157.3 | 100% | 1.281 | 84% | 0.841 | S | S | * | * | trans | -158.2 | 0 | 135 | -137.6 | 70.9 | -171 | 0 | 0 | 110.7 |
Retrieved 431 of 431 residues in 48.5 ms
(Link to these results)