| 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 | 43.8 | Very low | 50 | Low | 219 Ų | 219 | 189.5 Ų | 189.5 | 100% | 1.079 | 89% | 0.887 | S | S | * | * | 0 | 130.4 | 0 | -55.4 | 172.8 | -160.7 | 0 | 0 | 108.1 | |||||
| 2 | L | 45.5 | Very low | 49.5 | Very low | 177 Ų | 177 | 184 Ų | 184 | 93% | 0.927 | 88% | 0.876 | S | S | * | * | trans | -112.6 | 111.3 | 170.8 | -103 | 66.2 | 0 | 0 | 0 | 109 | ||||
| 3 | R | 55.6 | Low | 48.7 | Very low | 218 Ų | 218 | 187.2 Ų | 187.2 | 82% | 0.823 | 88% | 0.877 | S | S | * | * | trans | -90.1 | 106.4 | 174.8 | -67 | -176.5 | 179.3 | -175.2 | 0.5 | 108.9 | F5 | R3-F5 PolarHBondContact O-N 3.31Š| ||
| 4 | R | 65.3 | Low | 47.8 | Very low | 248 Ų | 248 | 184.6 Ų | 184.6 | 94% | 0.936 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.4 | 171 | -71 | -172.8 | -179.7 | -176.7 | 1 | 109.2 | ||
| 5 | F | 53.1 | Low | 47.1 | Very low | 200 Ų | 200 | 176.3 Ų | 176.3 | 88% | 0.877 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 127.6 | 168.3 | -83.2 | -105.4 | 0 | 0 | 0 | 109.7 | R3 | R3-F5 PolarHBondContact O-N 3.31Š|
| 6 | K | 62 | Low | 46.5 | Very low | 207 Ų | 207 | 175.3 Ų | 175.3 | 90% | 0.9 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 131.9 | 157.8 | -90 | -168.6 | 170.9 | -173.5 | 0 | 108.3 | ||
| 7 | Q | 51.9 | Low | 46 | Very low | 198 Ų | 198 | 171.5 Ų | 171.5 | 93% | 0.925 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 154.3 | 170.3 | -74.7 | -176 | -19 | 0 | 0 | 111 | ||
| 8 | K | 41.8 | Very low | 45.4 | Very low | 171 Ų | 171 | 165.9 Ų | 165.9 | 74% | 0.743 | 84% | 0.843 | S | S | * | * | trans | -109 | 114.1 | -169.8 | -172.3 | -168.1 | -172.3 | -164.5 | 0 | 109 | H10 | K8-H10 WeakPolarHBondContact CE-NE2 3.18Å; K8-H10 PolarHBondContact NZ-NE2 3.42Å | ||
| 9 | A | 47.9 | Very low | 45.1 | Very low | 101 Ų | 101 | 165.5 Ų | 165.5 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -80.4 | 128.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | H | 43.5 | Very low | 44.6 | Very low | 164 Ų | 164 | 162.4 Ų | 162.4 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | trans | -137.9 | 125.8 | 160.7 | -88.6 | -90.6 | 0 | 0 | 0 | 106.4 | K8 | K8-H10 WeakPolarHBondContact CE-NE2 3.18Å; K8-H10 PolarHBondContact NZ-NE2 3.42Å | ||
| 11 | L | 40.2 | Very low | 44.4 | Very low | 182 Ų | 182 | 160.1 Ų | 160.1 | 95% | 0.953 | 84% | 0.836 | S | S | * | * | trans | -133 | 117.6 | 160.4 | -147.9 | 78 | 0 | 0 | 0 | 106.9 | ||||
| 12 | T | 44.1 | Very low | 44.2 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -95.4 | 137.7 | -170.8 | 44.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 13 | Y | 38.9 | Very low | 44.8 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | trans | -67.5 | 127.3 | 169.1 | 176.1 | -85.4 | 0 | 0 | 0 | 111.2 | ||||
| 14 | N | 36.3 | Very low | 43.7 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -158.9 | 160 | 149.9 | -158.8 | 9.7 | 0 | 0 | 0 | 108.9 | ||||
| 15 | G | 36.4 | Very low | 42.3 | Very low | 59 Ų | 59 | 146.4 Ų | 146.4 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | trans | -143.3 | -170.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 16 | N | 38 | Very low | 41.7 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 165.7 | 164.8 | 139 | -165.1 | 22.3 | 0 | 0 | 0 | 112 | ||||
| 17 | S | 37.5 | Very low | 41.1 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 71.8 | 140.5 | 166 | 72.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 18 | G | 36.4 | Very low | 40.2 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 139.5 | 89.5 | -25.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 19 | N | 38.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 177.1 | 165.9 | 156.9 | 48.4 | 20 | 0 | 0 | 0 | 108 | ||||
| 20 | S | 36.7 | Very low | 39.7 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | cis | -150.5 | 149.8 | 5.5 | -155.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 21 | S | 38.6 | Very low | 39.8 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 54.2 | 134.1 | 146.4 | -49.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 22 | E | 39.8 | Very low | 39.7 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -62.8 | -173.1 | 165.5 | -67.1 | -177.8 | 110.8 | 0 | 0 | 116.6 | ||||
| 23 | P | 57.9 | Low | 39.8 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | cis | -134.3 | -177.1 | -41 | 33.7 | -16.3 | 0 | 0 | 0 | 113.1 | ||||
| 24 | G | 33.3 | Very low | 40.3 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 162.6 | 123.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 25 | E | 35.3 | Very low | 40.6 | Very low | 201 Ų | 201 | 128 Ų | 128 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | 64 | 151.6 | 144.9 | -53 | -167.2 | 154.5 | 0 | 0 | 122.7 | ||||
| 26 | T | 42 | Very low | 41.2 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -132.1 | 138.9 | 171.2 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 27 | P | 47.5 | Very low | 42 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | -134.7 | 139.3 | 122.3 | 8.4 | 14.3 | 0 | 0 | 0 | 111.8 | |||||
| 28 | T | 34.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | 77.4 | 106.5 | 80.1 | -52.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 29 | L | 41.6 | Very low | 43.7 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 53.3 | 125.8 | 154.5 | -59.1 | 172.8 | 0 | 0 | 0 | 121.1 | ||||
| 30 | E | 35.8 | Very low | 44.9 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | -161.5 | 167.8 | 117.1 | -112.4 | -51.7 | 127.3 | 0 | 0 | 111.2 | |||||
| 31 | L | 45.7 | Very low | 46 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -86.5 | 156.9 | 179.9 | -74.7 | 97 | 0 | 0 | 0 | 113.1 | ||||
| 32 | G | 38 | Very low | 47.3 | Very low | 73 Ų | 73 | 144 Ų | 144 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -157.6 | 57.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q34 | G32-Q34 PolarHBondContact O-N 3.12Å; G32-Q34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | D | 46.9 | Very low | 48.7 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 109.5 | 177.3 | -106.2 | -42.6 | 0 | 0 | 0 | 112.1 | ||||
| 34 | Q | 50.4 | Low | 49.3 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -136 | 97.1 | 167.9 | -80.6 | -61 | -17.3 | 0 | 0 | 112 | G32 S36 | G32-Q34 PolarHBondContact O-N 3.12Å; G32-Q34 VanDerWaalsContact O-N 3.16Å; Q34-S36 PolarHBondContact O-N 3.42Å | ||
| 35 | T | 42.2 | Very low | 50.4 | Low | 102 Ų | 102 | 153.2 Ų | 153.2 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 93.5 | -172.6 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | K37 | T35-K37 PolarHBondContact O-N 3.4Š| ||
| 36 | S | 48.3 | Very low | 51.3 | Low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -88.7 | 82.5 | 169.4 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | Q34 K38 | Q34-S36 PolarHBondContact O-N 3.42Å; S36-K38 VanDerWaalsContact C-N 3.33Å; S36-K38 PolarHBondContact O-N 2.99Å | ||
| 37 | K | 54.2 | Low | 52.4 | Low | 188 Ų | 188 | 146.7 Ų | 146.7 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 76.6 | -174.2 | -67 | 177.9 | -177.9 | 171.8 | 0 | 113.5 | T35 G39 | T35-K37 PolarHBondContact O-N 3.4Å; K37-G39 PolarHBondContact O-N 3.04Å; K37-G39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | K | 56.8 | Low | 52.9 | Low | 200 Ų | 200 | 148.2 Ų | 148.2 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -68.6 | 103 | 177.3 | -149 | 172.1 | -168.9 | 174.4 | 0 | 110.5 | S36 K40 | S36-K38 VanDerWaalsContact C-N 3.33Å; S36-K38 PolarHBondContact O-N 2.99Å; K38-K40 PolarHBondContact O-N 3.28Å | ||
| 39 | G | 54.1 | Low | 53.8 | Low | 77 Ų | 77 | 147.7 Ų | 147.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 92.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K37 R41 | K37-G39 PolarHBondContact O-N 3.04Å; K37-G39 VanDerWaalsContact O-N 3.08Å; G39-R41 PolarHBondContact O-N 2.7Å | ||
| 40 | K | 63.3 | Low | 54.8 | Low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -70.4 | 95 | 171.4 | -69.8 | -179 | 178.8 | 177.3 | 0 | 110.5 | K38 T42 | K38-K40 PolarHBondContact O-N 3.28Å; K40-T42 VanDerWaalsContact C-N 3.26Å; K40-T42 PolarHBondContact O-N 3.23Å | ||
| 41 | R | 59.4 | Low | 55.3 | Low | 243 Ų | 243 | 148.6 Ų | 148.6 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -68.5 | 77.4 | 175 | -172.5 | 178.1 | 178 | 172.9 | -0.7 | 111.3 | G39 R43 | G39-R41 PolarHBondContact O-N 2.7Å; R41-R43 PolarHBondContact O-N 3.16Å | ||
| 42 | T | 66.8 | Low | 55.3 | Low | 101 Ų | 101 | 145.8 Ų | 145.8 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -65.6 | 121.4 | 175.1 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | K40 K44 | K40-T42 VanDerWaalsContact C-N 3.26Å; K40-T42 PolarHBondContact O-N 3.23Å; T42-K44 PolarHBondContact O-N 3.34Å | ||
| 43 | R | 67.8 | Low | 56.3 | Low | 203 Ų | 203 | 150.1 Ų | 150.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -72.2 | 116 | 170.3 | -66.5 | 177.5 | 72.5 | -144.1 | 5 | 107.5 | R41 F45 | R41-R43 PolarHBondContact O-N 3.16Å; R43-F45 PolarHBondContact O-N 3.42Å | ||
| 44 | K | 70.6 | Confident | 56.4 | Low | 191 Ų | 191 | 151 Ų | 151 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 111.1 | 171.2 | -63.9 | -67.6 | -176.2 | 173.3 | 0 | 108.1 | T42 | T42-K44 PolarHBondContact O-N 3.34Š| ||
| 45 | F | 57.5 | Low | 56.3 | Low | 173 Ų | 173 | 152 Ų | 152 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 123.1 | 165.7 | -70.1 | -92 | 0 | 0 | 0 | 107.9 | R43 | R43-F45 PolarHBondContact O-N 3.42Š| ||
| 46 | G | 54.6 | Low | 56.3 | Low | 68 Ų | 68 | 151.4 Ų | 151.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -77.1 | 119.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I48 | G46-I48 PolarHBondContact O-N 3.2Š| ||
| 47 | V | 63.6 | Low | 56.7 | Low | 131 Ų | 131 | 151.5 Ų | 151.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -77 | 115.9 | 171.4 | 178.7 | 0 | 0 | 0 | 0 | 108 | S49 | V47-S49 PolarHBondContact O-N 3.11Š| ||
| 48 | I | 57.8 | Low | 56.1 | Low | 149 Ų | 149 | 151.7 Ų | 151.7 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -95.3 | 86.2 | 177.4 | -54.5 | 177.4 | 0 | 0 | 0 | 108.5 | G46 R50 | G46-I48 PolarHBondContact O-N 3.2Å; I48-R50 HydrophobicContact CG2-CG 4.5Å | ||
| 49 | S | 55.1 | Low | 55.3 | Low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -72.6 | 129.5 | 165 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | V47 | V47-S49 PolarHBondContact O-N 3.11Š| ||
| 50 | R | 61.3 | Low | 54.7 | Low | 220 Ų | 220 | 150.7 Ų | 150.7 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -108.1 | 145.7 | 164.5 | -74.7 | -170.8 | 173.7 | -164.9 | -1.5 | 109.3 | I48 | I48-R50 HydrophobicContact CG2-CG 4.5Š| ||
| 51 | P | 46.7 | Very low | 53.7 | Low | 123 Ų | 123 | 151.2 Ų | 151.2 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 156 | -167.7 | 30.4 | -36.4 | 0 | 0 | 0 | 112.8 | ||
| 52 | A | 46.6 | Very low | 52.6 | Low | 93 Ų | 93 | 144.1 Ų | 144.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I54 | A52-I54 PolarHBondContact O-N 2.88Š|
| 53 | I | 58 | Low | 51.1 | Low | 163 Ų | 163 | 146.2 Ų | 146.2 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.4 | 173.7 | -64.8 | 173.4 | 0 | 0 | 0 | 108.3 | K55 | I53-K55 PolarHBondContact O-N 2.91Š|
| 54 | I | 49.3 | Very low | 49.8 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70 | 117.3 | 175.1 | -59.7 | 171.6 | 0 | 0 | 0 | 108.2 | A52 | A52-I54 PolarHBondContact O-N 2.88Š|
| 55 | K | 48.7 | Very low | 48.1 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 125.6 | 157.9 | -73.6 | -171.1 | 174.3 | -173.2 | 0 | 108.1 | I53 | I53-K55 PolarHBondContact O-N 2.91Š|
| 56 | A | 41.2 | Very low | 47.2 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 147.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 57 | P | 56.8 | Low | 46.4 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 158.6 | 175 | 36.9 | -34.3 | 0 | 0 | 0 | 112 | ||
| 58 | E | 42.3 | Very low | 45.2 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -145.9 | 157.6 | 133.7 | -77.6 | -146.8 | 132 | 0 | 0 | 108.6 | ||||
| 59 | D | 39.4 | Very low | 44.3 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -85.9 | 153.6 | -164.3 | -60.1 | -93.6 | 0 | 0 | 0 | 113.6 | ||||
| 60 | S | 43.1 | Very low | 43.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | 170.2 | 162.9 | 70.6 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 61 | K | 40.8 | Very low | 42.5 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | 16.8 | 139 | 146.1 | -73.3 | 169 | -177 | 171.3 | 0 | 119.4 | ||||
| 62 | S | 36 | Very low | 43 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | cis | -171 | 157.1 | 21 | 48.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 63 | N | 35.8 | Very low | 42.4 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | 70.3 | 146.8 | 146 | -66.1 | 3.4 | 0 | 0 | 0 | 121.8 | ||||
| 64 | S | 41.3 | Very low | 41.6 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 48.2 | 121.5 | 156.6 | 52.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 65 | G | 33.8 | Very low | 41.2 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 103.9 | 86.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 66 | C | 38.6 | Very low | 40.7 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -165.1 | 134 | 151.6 | 53.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 67 | D | 38.7 | Very low | 40.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -74.2 | 148.7 | 157.7 | -59.9 | -91 | 0 | 0 | 0 | 109.9 | ||||
| 68 | T | 38.3 | Very low | 39.9 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -174.8 | 138 | 138.1 | -74.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 69 | A | 39.8 | Very low | 39.5 | Very low | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | trans | -92.2 | 152.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 70 | D | 37.3 | Very low | 39.5 | Very low | 168 Ų | 168 | 129 Ų | 129 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -169.2 | 151.3 | 136.6 | -93.7 | -28.3 | 0 | 0 | 0 | 111.5 | ||||
| 71 | D | 41.1 | Very low | 39 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -130.3 | 164.7 | 172.8 | -158.9 | 25.8 | 0 | 0 | 0 | 104 | ||||
| 72 | P | 55.5 | Low | 39.1 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | cis | -135.4 | -173.4 | -2.4 | 35 | -12.9 | 0 | 0 | 0 | 114.7 | ||||
| 73 | S | 35 | Very low | 39.1 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 55.9 | 124.3 | 142 | 65.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 74 | S | 40.1 | Very low | 39.6 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -151.6 | 129.2 | 143.2 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | E | 42.8 | Very low | 39.1 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -91.7 | -162.5 | 172 | -60.5 | -168.3 | 118.5 | 0 | 0 | 111.6 | ||||
| 76 | L | 38.1 | Very low | 39.4 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | 93.6 | 81.6 | 162.2 | -47.3 | -170.8 | 0 | 0 | 0 | 118.8 | ||||
| 77 | E | 44.4 | Very low | 39.3 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | 59.8 | 156.4 | 111.3 | 83.8 | -159.9 | 152.8 | 0 | 0 | 124.6 | |||||
| 78 | N | 35.8 | Very low | 39.2 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 66.4 | 141.6 | 177.7 | -58.9 | -42.9 | 0 | 0 | 0 | 116.9 | ||||
| 79 | G | 34.1 | Very low | 39.2 | Very low | 56 Ų | 56 | 126.9 Ų | 126.9 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | cis | 154.4 | 157.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 80 | T | 38.2 | Very low | 38.9 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | 65.5 | 154.6 | 174.7 | 64.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 81 | D | 34.3 | Very low | 38.8 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | cis | -169.4 | 167.4 | -27.9 | 177.6 | 48.3 | 0 | 0 | 0 | 109.3 | ||||
| 82 | S | 41.6 | Very low | 38.8 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | 67.9 | 151.8 | 161.4 | -77.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 83 | E | 36.1 | Very low | 37.8 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | -161.4 | 174.8 | -19.6 | -156.2 | -165.9 | 104.9 | 0 | 0 | 108.5 | ||||
| 84 | L | 47.2 | Very low | 37.7 | Very low | 160 Ų | 160 | 136 Ų | 136 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 145.5 | 170.1 | -49.6 | 173.8 | 0 | 0 | 0 | 117.5 | ||||
| 85 | G | 31.1 | Very low | 37.2 | Very low | 59 Ų | 59 | 133.3 Ų | 133.3 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | 162.8 | 135 | -9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 86 | N | 40.3 | Very low | 38 | Very low | 173 Ų | 173 | 130 Ų | 130 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | 64.5 | 135.1 | 176.9 | -51 | -23.3 | 0 | 0 | 0 | 116.8 | ||||
| 87 | G | 35.3 | Very low | 37.7 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | cis | 117.1 | 100.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 88 | H | 36.8 | Very low | 37.3 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -158.4 | 145.3 | 146.7 | -144.7 | -82.2 | 0 | 0 | 0 | 112.1 | ||||
| 89 | A | 37.9 | Very low | 37.2 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | trans | -150.2 | 154.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 90 | F | 34.6 | Very low | 37.3 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -168 | 175.2 | 147.8 | 64.6 | -90.7 | 0 | 0 | 0 | 110 | ||||
| 91 | E | 33.9 | Very low | 37 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -142.9 | 171.9 | -163.9 | -154.1 | -179.8 | -157.7 | 0 | 0 | 110.8 | ||||
| 92 | L | 40.9 | Very low | 37.1 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 75 | 117.2 | 161 | -59.6 | 175.6 | 0 | 0 | 0 | 121.7 | ||||
| 93 | E | 35.3 | Very low | 36.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | 64.6 | 114 | 118.4 | -155.5 | -163.1 | 114.2 | 0 | 0 | 122.1 | |||||
| 94 | N | 32.8 | Very low | 36.4 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | 172 | 159.5 | 117.7 | -98.7 | -83.9 | 0 | 0 | 0 | 112.7 | |||||
| 95 | G | 30.2 | Very low | 36.3 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | trans | -122.1 | -155.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 96 | P | 58.6 | Low | 36.2 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | -138.4 | -150.4 | -5.1 | 41.2 | -19.7 | 0 | 0 | 0 | 114 | ||||
| 97 | N | 31.7 | Very low | 36.2 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 81.9 | 150.4 | 171.7 | -49.8 | -38.6 | 0 | 0 | 0 | 116.6 | ||||
| 98 | S | 36.7 | Very low | 36 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | cis | -139.2 | 139.4 | 8 | -74.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 99 | L | 34.2 | Very low | 35.7 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | 76.7 | 127.4 | 70.7 | -166.3 | 72.5 | 0 | 0 | 0 | 116.5 | |||||
| 100 | K | 36.6 | Very low | 35.8 | Very low | 174 Ų | 174 | 134 Ų | 134 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 76.3 | 156.7 | 173.3 | 100 | -171.4 | -167.6 | 104.2 | 0 | 116.4 | ||||
| 101 | D | 31.4 | Very low | 35.8 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | cis | -152.7 | 167.8 | 10.1 | -109.6 | -20.9 | 0 | 0 | 0 | 109.2 | ||||
| 102 | V | 35.3 | Very low | 35.9 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | cis | -149.9 | -78.8 | -11.1 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 103 | A | 31.4 | Very low | 35.4 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -157.9 | 173.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 104 | G | 32.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -138.4 | 159.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 105 | P | 45.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -134.5 | -179.9 | 160 | 28.5 | -7.7 | 0 | 0 | 0 | 113.4 | ||||
| 106 | H | 28.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -178.6 | 143.9 | -34.3 | -175.3 | -133.6 | 0 | 0 | 0 | 109.3 | ||||
| 107 | L | 39.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | 66.7 | 167.2 | 169 | -74.6 | 175.5 | 0 | 0 | 0 | 118.5 | ||||
| 108 | E | 30.4 | Very low | 34.1 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 58% | 0.575 | 74% | 0.736 | S | S | * | * | cis | -152.2 | 154.7 | 14.7 | -147.2 | -180 | -148.1 | 0 | 0 | 116.7 | ||||
| 109 | R | 32.1 | Very low | 33.7 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 67% | 0.672 | 74% | 0.737 | S | S | * | * | trans | 59.9 | 158.9 | 151.2 | -94.7 | 173.6 | -116.8 | -102.6 | -2.8 | 120.4 | ||||
| 110 | S | 38.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | cis | -159.8 | 160 | 1.8 | 41.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 111 | E | 36.4 | Very low | 34 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | cis | 152.8 | 171.9 | -7.1 | -96.2 | 179.8 | 123.2 | 0 | 0 | 106.8 | ||||
| 112 | A | 34.2 | Very low | 33.9 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | trans | 79.5 | 139.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 113 | D | 31.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | cis | -168.3 | 163.7 | -20.4 | -148.5 | -18.6 | 0 | 0 | 0 | 113.7 | ||||
| 114 | R | 37.6 | Very low | 33.3 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 73% | 0.725 | 74% | 0.735 | S | S | * | * | trans | 65.6 | 101.4 | 158.9 | -55.8 | -156.3 | 168.5 | 56.2 | 37.8 | 126.3 | ||||
| 115 | E | 28.2 | Very low | 33.1 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | 28.2 | 156.7 | 114.4 | -70.9 | -175.6 | 102.5 | 0 | 0 | 127.6 | |||||
| 116 | A | 32.9 | Very low | 33.4 | Very low | 94 Ų | 94 | 139 Ų | 139 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | 78 | 149.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 117 | E | 30 | Very low | 33.5 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | cis | -164.1 | 159.4 | -31.9 | -134.3 | -154.3 | 147.5 | 0 | 0 | 112.1 | ||||
| 118 | L | 31.2 | Very low | 33 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 53% | 0.534 | 73% | 0.728 | S | S | . | * | trans | 62.8 | 141.5 | 149.3 | -75.1 | 167.9 | 0 | 0 | 0 | 127 | ||||
| 119 | R | 28.4 | Very low | 33 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | 85.6 | 95.5 | 141.4 | -75.1 | 162.7 | -172.3 | 146 | 6.7 | 124 | ||||
| 120 | V | 36.7 | Very low | 33.1 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | 14.9 | 129.8 | 109.5 | -167.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 121 | P | 41.4 | Very low | 33.1 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | -155.9 | 154.4 | 65.3 | 41.5 | -20.4 | 0 | 0 | 0 | 121.6 | |||||
| 122 | K | 29.7 | Very low | 33 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | 50.7 | 141.9 | 125.3 | -138.6 | 179 | -180 | -175 | 0 | 119.5 | |||||
| 123 | T | 28.4 | Very low | 33.5 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 60% | 0.595 | 75% | 0.745 | S | S | * | * | 172 | 144 | 79.6 | -73.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 124 | E | 25.8 | Very low | 33.7 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | 69.2 | 165.2 | 156.2 | -79.3 | 149.6 | -145.7 | 0 | 0 | 124.8 | ||||
| 125 | A | 28.7 | Very low | 33.8 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -157.4 | -149.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 126 | P | 51.3 | Low | 34.4 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -135.5 | -164.2 | -23.1 | 26.7 | -0.8 | 0 | 0 | 0 | 113.1 | ||||
| 127 | L | 31.4 | Very low | 34.6 | Very low | 163 Ų | 163 | 150 Ų | 150 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | 72.8 | 167.9 | 162.1 | -36.5 | 178.4 | 0 | 0 | 0 | 116.5 | ||||
| 128 | S | 29 | Very low | 35.3 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | cis | -150.9 | 161.3 | 3.1 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 129 | D | 28.6 | Very low | 35.6 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 33.9 | 130.8 | 146.6 | -60.4 | -43.7 | 0 | 0 | 0 | 122.9 | ||||
| 130 | S | 35.1 | Very low | 36 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | -177.4 | 165.6 | 89.2 | -165.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 131 | N | 38.3 | Very low | 36.5 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -101.8 | 154.4 | 176.4 | -63.8 | -105.9 | 0 | 0 | 0 | 111 | ||||
| 132 | D | 33.6 | Very low | 36.6 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | -154.6 | 166.5 | 126.2 | -146.9 | -10 | 0 | 0 | 0 | 113.4 | |||||
| 133 | K | 44.4 | Very low | 37.4 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -119.6 | 142.1 | -170.6 | -60.7 | 162.2 | -176.6 | 163.9 | 0 | 111.4 | ||||
| 134 | R | 36.3 | Very low | 38 | Very low | 226 Ų | 226 | 154.2 Ų | 154.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 174.8 | 155 | 153.2 | -101.1 | 179.2 | -75.6 | -173.6 | -1.4 | 109 | ||||
| 135 | R | 39.8 | Very low | 39.2 | Very low | 231 Ų | 231 | 154.1 Ų | 154.1 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | cis | -159.6 | 151.9 | -32 | -148.9 | 173.6 | -179 | 168.2 | -0.7 | 107.2 | ||||
| 136 | F | 40.8 | Very low | 39.9 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -72.2 | 151.8 | -173 | -56.3 | -89.5 | 0 | 0 | 0 | 115.5 | ||||
| 137 | S | 37.3 | Very low | 39.6 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -145.1 | 154.1 | 142.4 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 138 | K | 45.6 | Very low | 40.1 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -156.9 | 101.4 | -164.5 | 178.8 | -173 | 174.8 | -179.2 | 0 | 113.2 | ||||
| 139 | T | 38 | Very low | 40.8 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | trans | -155.2 | 151.8 | 169 | 45 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 140 | G | 34.8 | Very low | 41.7 | Very low | 74 Ų | 74 | 152.8 Ų | 152.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | -166 | 162.4 | -7.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 141 | K | 47.9 | Very low | 42.5 | Very low | 214 Ų | 214 | 151 Ų | 151 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -91.1 | 127.2 | -177 | -65.1 | -174.5 | 178.8 | -174.8 | 0 | 112 | ||||
| 142 | T | 44.8 | Very low | 42.9 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -127.4 | 127.5 | 157.6 | 46 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 143 | N | 45.5 | Very low | 44.2 | Very low | 159 Ų | 159 | 155 Ų | 155 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -98.4 | 108.9 | -177.2 | -167 | 28.5 | 0 | 0 | 0 | 109 | ||||
| 144 | F | 41.7 | Very low | 44.9 | Very low | 172 Ų | 172 | 150 Ų | 150 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -126.5 | 124 | 173.9 | -85.1 | -83.9 | 0 | 0 | 0 | 109.7 | S146 | F144-S146 VanDerWaalsContact C-N 3.26Å; F144-S146 PolarHBondContact O-N 3.06Å | ||
| 145 | Q | 51.1 | Low | 46 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 79.1 | 170.9 | -71.6 | 177.1 | -33.4 | 0 | 0 | 109.3 | S147 | Q145-S147 PolarHBondContact O-N 3.28Å; Q145-S147 VanDerWaalsContact O-N 3.17Å | ||
| 146 | S | 41.9 | Very low | 47.8 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -73 | 98.9 | 161.7 | -67.6 | 0 | 0 | 0 | 0 | 108.2 | F144 D148 | F144-S146 VanDerWaalsContact C-N 3.26Å; F144-S146 PolarHBondContact O-N 3.06Å; S146-D148 PolarHBondContact O-N 2.78Å | ||
| 147 | S | 46.3 | Very low | 50.2 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -73.9 | 50.7 | 170.1 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | Q145 S149 | Q145-S147 PolarHBondContact O-N 3.28Å; Q145-S147 VanDerWaalsContact O-N 3.17Å; S147-S149 PolarHBondContact O-N 2.93Å | ||
| 148 | D | 40.7 | Very low | 52.9 | Low | 116 Ų | 116 | 133 Ų | 133 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | -74.8 | 65 | 168 | -81.5 | -52.9 | 0 | 0 | 0 | 109.2 | S146 L150 | S146-D148 PolarHBondContact O-N 2.78Å; D148-L150 PolarHBondContact O-N 3.08Å | ||
| 149 | S | 44.5 | Very low | 55.2 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | trans | -73.9 | 44 | 158.5 | 67.7 | 0 | 0 | 0 | 0 | 110.3 | S147 A151 | S147-S149 PolarHBondContact O-N 2.93Å; S149-A151 VanDerWaalsContact C-N 3.26Å; S149-A151 PolarHBondContact O-N 3.31Å | ||
| 150 | L | 46.3 | Very low | 58 | Low | 141 Ų | 141 | 126.4 Ų | 126.4 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -64.4 | 98.7 | 156.4 | -67.8 | 179.7 | 0 | 0 | 0 | 104.7 | D148 R152 | D148-L150 PolarHBondContact O-N 3.08Å; L150-R152 PolarHBondContact O-N 2.82Å | ||
| 151 | A | 53.1 | Low | 60.9 | Low | 78 Ų | 78 | 123 Ų | 123 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | trans | -51.8 | 120.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S149 E153 | S149-A151 VanDerWaalsContact C-N 3.26Å; S149-A151 PolarHBondContact O-N 3.31Å; A151-E153 PolarHBondContact O-N 3.26Å | ||
| 152 | R | 46.5 | Very low | 63.2 | Low | 190 Ų | 190 | 118 Ų | 118 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | trans | -51.6 | 119.1 | 165.1 | -80.3 | 165.3 | 45.9 | 140.1 | -4.4 | 106.1 | L150 E154 | L150-R152 PolarHBondContact O-N 2.82Å; R152-E154 HydrophobicContact CB-CG 3.99Å; R152-E154 IonicContact CZ-OE1 2.91Å; R152-E154 IonicContact NE-OE1 2.7Å; R152-E154 PolarHBondContact NE-OE1 3.24Å; R152-E154 IonicContact NH2-OE1 3Å; R152-E154 PolarHBondContact NH2-OE1 3.3Å; R152-E154 PolarHBondContact O-N 3.32Å | ||
| 153 | E | 60.5 | Low | 65.6 | Low | 179 Ų | 179 | 112.5 Ų | 112.5 | 84% | 0.836 | 58% | 0.577 | S | S | * | * | trans | -74.6 | 77.3 | 176.9 | -163.2 | 169.4 | -165.2 | 0 | 0 | 106.8 | A151 V155 | A151-E153 PolarHBondContact O-N 3.26Å; E153-V155 HydrophobicContact CG-CG2 4.12Å; E153-V155 WeakPolarHBondContact O-CG2 3.39Å; E153-V155 PolarHBondContact O-N 3.04Å | ||
| 154 | E | 59.1 | Low | 68 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 32% | 0.322 | 57% | 0.565 | S | S | . | * | trans | -74.5 | 80.2 | 178 | -74.5 | 169.1 | 161.8 | 0 | 0 | 107.2 | R152 G156 | R152-E154 HydrophobicContact CB-CG 3.99Å; R152-E154 IonicContact CZ-OE1 2.91Å; R152-E154 IonicContact NE-OE1 2.7Å; R152-E154 PolarHBondContact NE-OE1 3.24Å; R152-E154 IonicContact NH2-OE1 3Å; R152-E154 PolarHBondContact NH2-OE1 3.3Å; R152-E154 PolarHBondContact O-N 3.32Å; E154-G156 PolarHBondContact O-N 3.45Å | ||
| 155 | V | 60.8 | Low | 70.5 | Confident | 117 Ų | 117 | 105 Ų | 105 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | trans | -63 | 81.5 | 179.6 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | E153 | E153-V155 HydrophobicContact CG-CG2 4.12Å; E153-V155 WeakPolarHBondContact O-CG2 3.39Å; E153-V155 PolarHBondContact O-N 3.04Å | ||
| 156 | G | 76.6 | Confident | 72.5 | Confident | 16 Ų | 16 | 99.1 Ų | 99.1 | 17% | 0.165 | 51% | 0.514 | C | S | . | . | trans | -72 | -177.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E154 I158 S243 | E154-G156 PolarHBondContact O-N 3.45Å; G156-I158 PolarHBondContact O-N 2.96Å; G156-S243 CarbonylContact C-O 3.57Å; G156-S243 WeakPolarHBondContact CA-O 3.25Å | ||
| 157 | R | 90.6 | Very high | 74.8 | Confident | 196 Ų | 196 | 100.1 Ų | 100.1 | 74% | 0.74 | 52% | 0.521 | S | S | * | . | trans | -63.8 | 131.7 | -174.5 | -172.7 | -171.8 | -68 | -157.8 | -3 | 110.4 | W159 A242 S243 | R157-W159 HydrophobicContact CB-CE3 4.05Å; R157-W159 HydrophobicContact CB-CZ3 4.1Å; R157-W159 HydrophobicContact CG-CE3 3.85Å; R157-W159 HydrophobicContact CG-CZ3 4.37Å; R157-W159 VanDerWaalsContact O-CE3 3.24Å; R157-W159 WeakPolarHBondContact O-CZ3 3.34Å; R157-A242 WeakPolarHBondContact O-CA 3.41Å; R157-S243 PolarHBondContact O-N 2.72Å | ||
| 158 | I | 94.1 | Very high | 76.8 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.8 | 165.6 | -52.5 | -177.6 | 0 | 0 | 0 | 108.8 | G156 L211 V240 V241 A242 | G156-I158 PolarHBondContact O-N 2.96Å; I158-L211 HydrophobicContact CD1-CD1 4.17Å; I158-L211 HydrophobicContact CG2-CD1 4.09Å; I158-V240 HydrophobicContact CG2-CG1 3.93Å; I158-V241 CarbonylContact C-O 3.5Å; I158-V241 VanDerWaalsContact CA-O 3.3Å; I158-V241 WeakPolarHBondContact CA-O 3.46Å; I158-A242 HydrophobicContact CG1-CB 3.94Å |
| 159 | W | 95.5 | Very high | 79.3 | Confident | 52 Ų | 52 | 94.8 Ų | 94.8 | 20% | 0.197 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 174.4 | 174.4 | 67.6 | 94.7 | 0 | 0 | 0 | 112.6 | R157 M161 R203 V240 V241 | R157-W159 HydrophobicContact CB-CE3 4.05Å; R157-W159 HydrophobicContact CB-CZ3 4.1Å; R157-W159 HydrophobicContact CG-CE3 3.85Å; R157-W159 HydrophobicContact CG-CZ3 4.37Å; R157-W159 VanDerWaalsContact O-CE3 3.24Å; R157-W159 WeakPolarHBondContact O-CZ3 3.34Å; W159-M161 HydrophobicContact CZ2-CE 4.29Å; W159-R203 VanDerWaalsContact CZ2-O 3.25Å; W159-R203 WeakPolarHBondContact CZ2-O 3.35Å; W159-V240 WeakPolarHBondContact O-CA 3.48Å; W159-V241 HydrophobicContact CH2-CG1 4.13Å; W159-V241 HydrophobicContact CZ2-CB 4.21Å; W159-V241 HydrophobicContact CZ2-CG1 3.81Å; W159-V241 PolarHBondContact N-O 3.17Å; W159-V241 PolarHBondContact O-N 3.3Å |
| 160 | K | 95.3 | Very high | 81.6 | Confident | 161 Ų | 161 | 90 Ų | 90 | 70% | 0.7 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 143.7 | 172.2 | -52.7 | -163.4 | 177.9 | -179.1 | 0 | 110.5 | R203 L239 V240 | K160-R203 PolarHBondContact O-NH2 3.31Å; K160-L239 WeakPolarHBondContact CA-O 3.19Å; K160-V240 HydrophobicContact CD-CG2 4.31Å; K160-V240 HydrophobicContact CG-CG2 4.13Å |
| 161 | M | 95.8 | Very high | 83.9 | Confident | 3 Ų | 3 | 83.6 Ų | 83.6 | 2% | 0.015 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 161.6 | 171.4 | 63.7 | 174.2 | 62.7 | 0 | 0 | 109.9 | W159 L163 R203 L204 L239 V241 | W159-M161 HydrophobicContact CZ2-CE 4.29Å; M161-L163 HydrophobicContact SD-CD1 4.08Å; M161-L163 HydrophobicContact SD-CG 4.24Å; M161-R203 HydrophobicContact CE-CB 4.25Å; M161-R203 WeakPolarHBondContact CE-O 3.49Å; M161-L204 HydrophobicContact CE-CB 3.91Å; M161-L204 HydrophobicContact CE-CD1 3.98Å; M161-L204 HydrophobicContact CE-CG 4.46Å; M161-L204 HydrophobicContact SD-CB 4.27Å; M161-L204 HydrophobicContact SD-CD1 4.43Å; M161-L204 HydrophobicContact SD-CD2 4.48Å; M161-L239 HydrophobicContact CG-CB 3.81Å; M161-L239 HydrophobicContact CG-CD1 4.04Å; M161-L239 PolarHBondContact N-O 2.95Å; M161-L239 PolarHBondContact O-N 3.33Å; M161-L239 HydrophobicContact SD-CB 4.47Å; M161-L239 HydrophobicContact SD-CD1 4.27Å; M161-V241 HydrophobicContact CE-CG2 3.95Å; M161-V241 HydrophobicContact CG-CG2 4.3Å; M161-V241 HydrophobicContact SD-CG2 4.18Å |
| 162 | E | 96.1 | Very high | 86 | Confident | 109 Ų | 109 | 81.4 Ų | 81.4 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.6 | 173.6 | -56.2 | -170.5 | 137.9 | 0 | 0 | 107.1 | V237 Q238 | E162-V237 WeakPolarHBondContact CA-O 3.21Å; E162-Q238 HydrophobicContact CG-CG 4.13Å; E162-Q238 WeakPolarHBondContact OE1-CG 3.17Å; E162-Q238 PolarHBondContact OE1-NE2 3.5Å |
| 163 | L | 96 | Very high | 88.3 | Confident | 6 Ų | 6 | 77.4 Ų | 77.4 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.8 | -179.2 | -66.9 | 179.1 | 0 | 0 | 0 | 109.5 | M161 K165 L170 A198 D201 V237 L239 | M161-L163 HydrophobicContact SD-CD1 4.08Å; M161-L163 HydrophobicContact SD-CG 4.24Å; L163-K165 PolarHBondContact O-N 2.8Å; L163-L170 HydrophobicContact CB-CD2 3.79Å; L163-L170 HydrophobicContact CD1-CD2 4.44Å; L163-A198 HydrophobicContact CD1-CB 3.85Å; L163-D201 HydrophobicContact CD2-CB 3.44Å; L163-D201 VanDerWaalsContact CD2-CB 3.44Å; L163-V237 PolarHBondContact N-O 3.42Å; L163-V237 PolarHBondContact O-N 2.91Å; L163-L239 HydrophobicContact CB-CD1 4.23Å; L163-L239 HydrophobicContact CD1-CD1 3.9Å; L163-L239 HydrophobicContact CG-CD1 4.03Å |
| 164 | L | 95.4 | Very high | 90 | Very high | 113 Ų | 113 | 69.9 Ų | 69.9 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.2 | 170.3 | -174.4 | 66.8 | 0 | 0 | 0 | 109 | A197 M236 | L164-A197 WeakPolarHBondContact O-CB 3.47Å; L164-M236 HydrophobicContact CD1-CG 4.26Å |
| 165 | K | 94.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 27% | 0.265 | 35% | 0.352 | S | S | . | . | trans | -80.5 | 120.2 | 177.3 | -173.5 | -169.8 | 167.9 | -61.7 | 0 | 110.7 | L163 L170 A233 G235 V237 | L163-K165 PolarHBondContact O-N 2.8Å; K165-L170 HydrophobicContact CB-CD2 3.98Å; K165-L170 HydrophobicContact CG-CD2 4.32Å; K165-L170 HydrophobicContact CG-CG 4.41Å; K165-A233 WeakPolarHBondContact CD-O 3.41Å; K165-A233 WeakPolarHBondContact CE-O 3.25Å; K165-G235 WeakPolarHBondContact CB-O 3.46Å; K165-G235 PolarHBondContact N-O 3.29Å; K165-V237 HydrophobicContact CB-CG2 3.97Å | ||
| 166 | E | 92.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -86.6 | -176 | 178.4 | -71.9 | 165.2 | -108 | 0 | 0 | 112.3 | D168 G169 A197 R200 | E166-D168 PolarHBondContact O-N 2.79Å; E166-G169 PolarHBondContact N-O 2.8Å; E166-G169 PolarHBondContact O-N 3.31Å; E166-A197 VanDerWaalsContact OE1-CA 3.27Å; E166-A197 WeakPolarHBondContact OE1-CA 3.44Å; E166-A197 VanDerWaalsContact OE1-CB 3.25Å; E166-A197 WeakPolarHBondContact OE1-CB 3.49Å; E166-A197 PolarHBondContact OE1-N 3.26Å; E166-R200 VanDerWaalsContact CD-NH1 3.32Å; E166-R200 IonicContact OE1-CZ 2.62Å; E166-R200 VanDerWaalsContact OE1-CZ 3.26Å; E166-R200 IonicContact OE1-NH1 3.86Å; E166-R200 PolarHBondContact OE1-NH1 3.11Å; E166-R200 IonicContact OE1-NH2 3.39Å; E166-R200 PolarHBondContact OE1-NH2 3.07Å; E166-R200 IonicContact OE2-CZ 3.26Å; E166-R200 IonicContact OE2-NH1 3Å; E166-R200 PolarHBondContact OE2-NH1 2.87Å; E166-R200 IonicContact OE2-NH2 2.72Å; E166-R200 PolarHBondContact OE2-NH2 3.43Å |
| 167 | S | 89.9 | Confident | 94 | Very high | 112 Ų | 112 | 62.6 Ų | 62.6 | 78% | 0.783 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -48.4 | 167.1 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | G169 | S167-G169 PolarHBondContact O-N 2.87Š|
| 168 | D | 88.1 | Confident | 94.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 6 | -177.8 | -69.5 | 39.9 | 0 | 0 | 0 | 112.8 | E166 K193 | E166-D168 PolarHBondContact O-N 2.79Å; D168-K193 IonicContact OD2-NZ 3.37Å; D168-K193 PolarHBondContact OD2-NZ 3.3Å |
| 169 | G | 92.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | 80.7 | -138.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E166 S167 | E166-G169 PolarHBondContact N-O 2.8Å; E166-G169 PolarHBondContact O-N 3.31Å; S167-G169 PolarHBondContact O-N 2.87Å |
| 170 | L | 94.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5.3 | -179.4 | -65.8 | 173.7 | 0 | 0 | 0 | 113.2 | L163 K165 I172 A198 L230 V237 | L163-L170 HydrophobicContact CB-CD2 3.79Å; L163-L170 HydrophobicContact CD1-CD2 4.44Å; K165-L170 HydrophobicContact CB-CD2 3.98Å; K165-L170 HydrophobicContact CG-CD2 4.32Å; K165-L170 HydrophobicContact CG-CG 4.41Å; L170-I172 HydrophobicContact CB-CD1 4.42Å; L170-I172 HydrophobicContact CB-CG1 4.16Å; L170-I172 HydrophobicContact CD1-CD1 4.45Å; L170-A198 WeakPolarHBondContact O-CB 3.33Å; L170-A198 PolarHBondContact O-N 3.46Å; L170-A198 VanDerWaalsContact O-N 3.08Å; L170-L230 HydrophobicContact CD1-CD2 3.83Å; L170-V237 HydrophobicContact CD1-CB 4.4Å; L170-V237 HydrophobicContact CD1-CG1 4.18Å; L170-V237 HydrophobicContact CD1-CG2 4.49Å; L170-V237 HydrophobicContact CD2-CB 4.11Å; L170-V237 HydrophobicContact CD2-CG2 3.99Å |
| 171 | G | 94.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 67.5 | 33.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | K193 | G171-K193 WeakPolarHBondContact O-CB 3.32Å; G171-K193 PolarHBondContact O-N 3.01Å |
| 172 | I | 95.8 | Very high | 92 | Very high | 32 Ų | 32 | 73.4 Ų | 73.4 | 16% | 0.164 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.1 | 178.1 | 65.9 | 179.2 | 0 | 0 | 0 | 111.8 | L170 V174 A198 L204 L210 L230 | L170-I172 HydrophobicContact CB-CD1 4.42Å; L170-I172 HydrophobicContact CB-CG1 4.16Å; L170-I172 HydrophobicContact CD1-CD1 4.45Å; I172-V174 HydrophobicContact CD1-CG1 4.3Å; I172-A198 HydrophobicContact CG2-CB 3.42Å; I172-A198 VanDerWaalsContact CG2-CB 3.42Å; I172-L204 HydrophobicContact CD1-CD2 4.43Å; I172-L204 HydrophobicContact CG2-CD2 3.76Å; I172-L210 HydrophobicContact CD1-CD1 4Å; I172-L230 HydrophobicContact CD1-CD2 4.22Å |
| 173 | Q | 95.3 | Very high | 91.5 | Very high | 107 Ų | 107 | 69.3 Ų | 69.3 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.4 | 162.8 | -63.7 | -178.6 | 15.1 | 0 | 0 | 109.7 | V189 T190 Q191 | Q173-V189 WeakPolarHBondContact O-CA 3.35Å; Q173-T190 WeakPolarHBondContact CB-OG1 3.38Å; Q173-T190 PolarHBondContact O-N 3.37Å; Q173-T190 PolarHBondContact O-OG1 2.93Å; Q173-Q191 HydrophobicContact CB-CB 4.07Å; Q173-Q191 HydrophobicContact CG-CB 4.21Å; Q173-Q191 PolarHBondContact N-O 3.35Å |
| 174 | V | 95.4 | Very high | 91 | Very high | 21 Ų | 21 | 71.6 Ų | 71.6 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.8 | -179.8 | -63 | 0 | 0 | 0 | 0 | 111 | I172 I187 V188 L210 H223 V227 L230 | I172-V174 HydrophobicContact CD1-CG1 4.3Å; V174-I187 HydrophobicContact CB-CG2 3.77Å; V174-I187 HydrophobicContact CG1-CG2 4.09Å; V174-I187 HydrophobicContact CG2-CG2 4.09Å; V174-V188 CarbonylContact C-O 3.47Å; V174-V188 VanDerWaalsContact CA-O 3.31Å; V174-V188 WeakPolarHBondContact CA-O 3.37Å; V174-L210 HydrophobicContact CG1-CD1 3.72Å; V174-H223 PolarHBondContact O-CE1 3.19Å; V174-H223 VanDerWaalsContact O-CE1 3.29Å; V174-V227 HydrophobicContact CG2-CG2 4.15Å; V174-L230 HydrophobicContact CG1-CD1 4.19Å; V174-L230 HydrophobicContact CG2-CD1 3.77Å |
| 175 | S | 94.6 | Very high | 90.5 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | -174.4 | 169.5 | 76 | 0 | 0 | 0 | 0 | 110.5 | I187 V188 T190 | S175-I187 CarbonylContact O-C 3.58Å; S175-I187 WeakPolarHBondContact O-CA 3.3Å; S175-V188 PolarHBondContact N-O 3.29Å; S175-V188 PolarHBondContact O-N 2.58Å; S175-T190 WeakPolarHBondContact OG-CG2 3.19Å |
| 176 | G | 93.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | -150 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S183 A186 | G176-S183 CarbonylContact C-O 3.56Å; G176-S183 WeakPolarHBondContact CA-O 3.4Å; G176-A186 CarbonylContact C-O 3.57Å; G176-A186 WeakPolarHBondContact CA-O 3.24Å |
| 177 | G | 92.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | trans | 77.5 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | G179 S180 S183 P184 A186 L221 | G177-G179 PolarHBondContact O-N 3.14Å; G177-G179 VanDerWaalsContact O-N 3.15Å; G177-S180 VanDerWaalsContact O-CB 3.22Å; G177-S180 WeakPolarHBondContact O-CB 3.37Å; G177-S180 PolarHBondContact O-N 3.37Å; G177-S183 PolarHBondContact N-O 3.47Å; G177-P184 CarbonylContact C-O 3.55Å; G177-P184 CarbonylContact O-C 3.5Å; G177-P184 WeakPolarHBondContact O-CA 2.99Å; G177-A186 PolarHBondContact N-O 2.8Å; G177-L221 CarbonylContact C-O 3.57Å; G177-L221 VanDerWaalsContact CA-O 3.22Å; G177-L221 WeakPolarHBondContact CA-O 3.39Å | ||
| 178 | R | 92.6 | Very high | 90.8 | Very high | 180 Ų | 180 | 62.8 Ų | 62.8 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 114.5 | -171.3 | -160.8 | 177.8 | 71 | 142.9 | -0.2 | 112.3 | P184 L221 | R178-P184 VanDerWaalsContact CA-O 3.28Å; R178-P184 WeakPolarHBondContact CA-O 3.43Å; R178-P184 PolarHBondContact N-O 2.86Å; R178-L221 PolarHBondContact N-O 3.4Å |
| 179 | G | 85.9 | Confident | 91.1 | Very high | 72 Ų | 72 | 58 Ų | 58 | 74% | 0.742 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -8.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G177 | G177-G179 PolarHBondContact O-N 3.14Å; G177-G179 VanDerWaalsContact O-N 3.15Å |
| 180 | S | 87.9 | Confident | 91.2 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | trans | -66.2 | 137 | 173 | 177.5 | 0 | 0 | 0 | 0 | 112 | G177 R182 S183 P184 | G177-S180 VanDerWaalsContact O-CB 3.22Å; G177-S180 WeakPolarHBondContact O-CB 3.37Å; G177-S180 PolarHBondContact O-N 3.37Å; S180-R182 VanDerWaalsContact C-N 3.28Å; S180-R182 PolarHBondContact O-N 2.92Å; S180-R182 PolarHBondContact OG-N 2.83Å; S180-S183 PolarHBondContact OG-N 2.85Å; S180-P184 WeakPolarHBondContact O-CB 3.45Å | ||
| 181 | K | 82.9 | Confident | 91.2 | Very high | 220 Ų | 220 | 64 Ų | 64 | 96% | 0.957 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -68.6 | -22.5 | 176.1 | -64.9 | -178.1 | -179.6 | 177.4 | 0 | 113.9 | ||
| 182 | R | 81.1 | Confident | 91.2 | Very high | 229 Ų | 229 | 65.2 Ų | 65.2 | 86% | 0.864 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -102.8 | -41.9 | -173.6 | -161.6 | 176.3 | -166.5 | 173.5 | 4.2 | 112.7 | S180 | S180-R182 VanDerWaalsContact C-N 3.28Å; S180-R182 PolarHBondContact O-N 2.92Å; S180-R182 PolarHBondContact OG-N 2.83Å |
| 183 | S | 85.3 | Confident | 91.2 | Very high | 23 Ų | 23 | 68.8 Ų | 68.8 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | trans | -139.7 | 74.8 | -176.4 | -55 | 0 | 0 | 0 | 0 | 110.1 | G176 G177 S180 H185 | G176-S183 CarbonylContact C-O 3.56Å; G176-S183 WeakPolarHBondContact CA-O 3.4Å; G177-S183 PolarHBondContact N-O 3.47Å; S180-S183 PolarHBondContact OG-N 2.85Å; S183-H185 PolarHBondContact O-N 2.92Å; S183-H185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | P | 84.4 | Confident | 91.2 | Very high | 55 Ų | 55 | 71.4 Ų | 71.4 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -68.9 | -9.7 | -171.6 | 25.8 | -34.9 | 0 | 0 | 0 | 115.2 | G177 R178 S180 | G177-P184 CarbonylContact C-O 3.55Å; G177-P184 CarbonylContact O-C 3.5Å; G177-P184 WeakPolarHBondContact O-CA 2.99Å; R178-P184 VanDerWaalsContact CA-O 3.28Å; R178-P184 WeakPolarHBondContact CA-O 3.43Å; R178-P184 PolarHBondContact N-O 2.86Å; S180-P184 WeakPolarHBondContact O-CB 3.45Å |
| 185 | H | 86.4 | Confident | 91.1 | Very high | 129 Ų | 129 | 72.3 Ų | 72.3 | 60% | 0.597 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -126.2 | -10.6 | -177.1 | -57.7 | 121.1 | 0 | 0 | 0 | 114.4 | S183 V219 G220 | S183-H185 PolarHBondContact O-N 2.92Å; S183-H185 VanDerWaalsContact O-N 3.15Å; H185-V219 WeakPolarHBondContact O-CA 3.46Å; H185-G220 PolarHBondContact O-N 3Å |
| 186 | A | 91.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 70.7 Ų | 70.7 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | trans | -124.5 | 148 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G176 G177 V188 E209 | G176-A186 CarbonylContact C-O 3.57Å; G176-A186 WeakPolarHBondContact CA-O 3.24Å; G177-A186 PolarHBondContact N-O 2.8Å; A186-V188 HydrophobicContact CB-CG2 4.3Å; A186-E209 WeakPolarHBondContact CB-OE2 3.42Å | ||
| 187 | I | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.7 | 173.4 | -59.4 | -63.4 | 0 | 0 | 0 | 107.4 | V174 S175 E209 L210 L218 A226 | V174-I187 HydrophobicContact CB-CG2 3.77Å; V174-I187 HydrophobicContact CG1-CG2 4.09Å; V174-I187 HydrophobicContact CG2-CG2 4.09Å; S175-I187 CarbonylContact O-C 3.58Å; S175-I187 WeakPolarHBondContact O-CA 3.3Å; I187-E209 CarbonylContact O-C 3.53Å; I187-E209 WeakPolarHBondContact O-CA 3.42Å; I187-L210 HydrophobicContact CG2-CB 4.46Å; I187-L210 HydrophobicContact CG2-CD1 4.46Å; I187-L210 PolarHBondContact O-N 3.47Å; I187-L218 HydrophobicContact CB-CD1 4.22Å; I187-L218 HydrophobicContact CG1-CB 4.01Å; I187-L218 HydrophobicContact CG1-CD1 4.28Å; I187-L218 HydrophobicContact CG2-CD1 4.35Å; I187-A226 HydrophobicContact CD1-CB 3.48Å; I187-A226 VanDerWaalsContact CD1-CB 3.48Å; I187-A226 HydrophobicContact CG1-CB 3.63Å; I187-A226 HydrophobicContact CG2-CB 4.35Å |
| 188 | V | 94.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.6 | -168.3 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | V174 S175 A186 T190 E209 | V174-V188 CarbonylContact C-O 3.47Å; V174-V188 VanDerWaalsContact CA-O 3.31Å; V174-V188 WeakPolarHBondContact CA-O 3.37Å; S175-V188 PolarHBondContact N-O 3.29Å; S175-V188 PolarHBondContact O-N 2.58Å; A186-V188 HydrophobicContact CB-CG2 4.3Å; V188-T190 PolarHBondContact O-N 2.83Å; V188-E209 HydrophobicContact CG1-CG 4.47Å; V188-E209 HydrophobicContact CG2-CG 4.05Å |
| 189 | V | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 120.3 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 110 | Q173 V192 L204 G207 D208 L210 | Q173-V189 WeakPolarHBondContact O-CA 3.35Å; V189-V192 HydrophobicContact CG1-CG2 3.99Å; V189-L204 HydrophobicContact CG2-CD1 4.17Å; V189-L204 HydrophobicContact CG2-CD2 4.21Å; V189-L204 HydrophobicContact CG2-CG 4.28Å; V189-G207 PolarHBondContact O-N 2.99Å; V189-D208 PolarHBondContact N-O 2.87Å; V189-L210 HydrophobicContact CG2-CD1 4.36Å; V189-L210 HydrophobicContact CG2-CD2 3.92Å; V189-L210 HydrophobicContact CG2-CG 4.04Å |
| 190 | T | 94.4 | Very high | 91.9 | Very high | 53 Ų | 53 | 70.2 Ų | 70.2 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -22.2 | -179.3 | 51.4 | 0 | 0 | 0 | 0 | 114 | Q173 S175 V188 L206 | Q173-T190 WeakPolarHBondContact CB-OG1 3.38Å; Q173-T190 PolarHBondContact O-N 3.37Å; Q173-T190 PolarHBondContact O-OG1 2.93Å; S175-T190 WeakPolarHBondContact OG-CG2 3.19Å; V188-T190 PolarHBondContact O-N 2.83Å; T190-L206 VanDerWaalsContact O-CD1 3.25Å; T190-L206 WeakPolarHBondContact O-CD1 3.43Å; T190-L206 WeakPolarHBondContact O-CG 3.41Å |
| 191 | Q | 94.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 71 Ų | 71 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 145.3 | 175.5 | -165.7 | 177.8 | 8.8 | 0 | 0 | 109.3 | Q173 | Q173-Q191 HydrophobicContact CB-CB 4.07Å; Q173-Q191 HydrophobicContact CG-CB 4.21Å; Q173-Q191 PolarHBondContact N-O 3.35Å |
| 192 | V | 95.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 63 Ų | 63 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.9 | 165.5 | -170.5 | 0 | 0 | 0 | 0 | 107.4 | V189 A198 H199 | V189-V192 HydrophobicContact CG1-CG2 3.99Å; V192-A198 HydrophobicContact CG1-CB 3.93Å; V192-H199 HydrophobicContact CG1-CB 3.88Å |
| 193 | K | 95.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | trans | -76.4 | 121.1 | 179 | 179.6 | -175.3 | 170.7 | 175 | 0 | 109.1 | D168 G171 G195 G196 H199 | D168-K193 IonicContact OD2-NZ 3.37Å; D168-K193 PolarHBondContact OD2-NZ 3.3Å; G171-K193 WeakPolarHBondContact O-CB 3.32Å; G171-K193 PolarHBondContact O-N 3.01Å; K193-G195 PolarHBondContact O-N 3.13Å; K193-G196 PolarHBondContact O-N 2.99Å; K193-H199 VanDerWaalsContact O-CB 3.25Å; K193-H199 WeakPolarHBondContact O-CB 3.5Å | ||
| 194 | E | 95.2 | Very high | 93.7 | Very high | 161 Ų | 161 | 56.8 Ų | 56.8 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 136.6 | 172.4 | -169.4 | 173.1 | -174.3 | 0 | 0 | 111.5 | G196 | E194-G196 PolarHBondContact O-N 3.41Å; E194-G196 VanDerWaalsContact O-N 3.09Å |
| 195 | G | 93.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -11.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | K193 H199 R200 | K193-G195 PolarHBondContact O-N 3.13Å; G195-H199 PolarHBondContact N-CD2 2.93Å; G195-H199 VanDerWaalsContact N-CD2 3.33Å; G195-R200 WeakPolarHBondContact O-CD 3.46Å; G195-R200 WeakPolarHBondContact O-CG 3.29Å; G195-R200 PolarHBondContact O-NH1 2.82Å |
| 196 | G | 94.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -77.5 | 166.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K193 E194 A198 H199 R200 | K193-G196 PolarHBondContact O-N 2.99Å; E194-G196 PolarHBondContact O-N 3.41Å; E194-G196 VanDerWaalsContact O-N 3.09Å; G196-A198 PolarHBondContact O-N 2.97Å; G196-H199 WeakPolarHBondContact O-CA 3.41Å; G196-H199 WeakPolarHBondContact O-CB 3.31Å; G196-H199 PolarHBondContact O-N 3.38Å; G196-R200 PolarHBondContact O-N 3.29Å |
| 197 | A | 94.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -41.9 | -56.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L164 E166 H199 R200 D201 | L164-A197 WeakPolarHBondContact O-CB 3.47Å; E166-A197 VanDerWaalsContact OE1-CA 3.27Å; E166-A197 WeakPolarHBondContact OE1-CA 3.44Å; E166-A197 VanDerWaalsContact OE1-CB 3.25Å; E166-A197 WeakPolarHBondContact OE1-CB 3.49Å; E166-A197 PolarHBondContact OE1-N 3.26Å; A197-H199 VanDerWaalsContact C-N 3.32Å; A197-H199 PolarHBondContact O-N 3.33Å; A197-R200 PolarHBondContact O-N 3.41Å; A197-D201 PolarHBondContact O-N 2.92Å |
| 198 | A | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -30.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L163 L170 I172 V192 G196 G202 L204 | L163-A198 HydrophobicContact CD1-CB 3.85Å; L170-A198 WeakPolarHBondContact O-CB 3.33Å; L170-A198 PolarHBondContact O-N 3.46Å; L170-A198 VanDerWaalsContact O-N 3.08Å; I172-A198 HydrophobicContact CG2-CB 3.42Å; I172-A198 VanDerWaalsContact CG2-CB 3.42Å; V192-A198 HydrophobicContact CG1-CB 3.93Å; G196-A198 PolarHBondContact O-N 2.97Å; A198-G202 PolarHBondContact O-N 2.72Å; A198-L204 HydrophobicContact CB-CD2 4.08Å |
| 199 | H | 95.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.2 | -37.8 | 175.1 | -179.3 | 93.2 | 0 | 0 | 0 | 111.6 | V192 K193 G195 G196 A197 G202 | V192-H199 HydrophobicContact CG1-CB 3.88Å; K193-H199 VanDerWaalsContact O-CB 3.25Å; K193-H199 WeakPolarHBondContact O-CB 3.5Å; G195-H199 PolarHBondContact N-CD2 2.93Å; G195-H199 VanDerWaalsContact N-CD2 3.33Å; G196-H199 WeakPolarHBondContact O-CA 3.41Å; G196-H199 WeakPolarHBondContact O-CB 3.31Å; G196-H199 PolarHBondContact O-N 3.38Å; A197-H199 VanDerWaalsContact C-N 3.32Å; A197-H199 PolarHBondContact O-N 3.33Å; H199-G202 PolarHBondContact O-N 3Å |
| 200 | R | 95.1 | Very high | 94.4 | Very high | 152 Ų | 152 | 59 Ų | 59 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.9 | -27.6 | 179 | -58 | -162.6 | -47.8 | -91.2 | -6.3 | 113.5 | E166 G195 G196 A197 | E166-R200 VanDerWaalsContact CD-NH1 3.32Å; E166-R200 IonicContact OE1-CZ 2.62Å; E166-R200 VanDerWaalsContact OE1-CZ 3.26Å; E166-R200 IonicContact OE1-NH1 3.86Å; E166-R200 PolarHBondContact OE1-NH1 3.11Å; E166-R200 IonicContact OE1-NH2 3.39Å; E166-R200 PolarHBondContact OE1-NH2 3.07Å; E166-R200 IonicContact OE2-CZ 3.26Å; E166-R200 IonicContact OE2-NH1 3Å; E166-R200 PolarHBondContact OE2-NH1 2.87Å; E166-R200 IonicContact OE2-NH2 2.72Å; E166-R200 PolarHBondContact OE2-NH2 3.43Å; G195-R200 WeakPolarHBondContact O-CD 3.46Å; G195-R200 WeakPolarHBondContact O-CG 3.29Å; G195-R200 PolarHBondContact O-NH1 2.82Å; G196-R200 PolarHBondContact O-N 3.29Å; A197-R200 PolarHBondContact O-N 3.41Å |
| 201 | D | 94.5 | Very high | 94.5 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.4 | -36.7 | 166.1 | 168.6 | 95.2 | 0 | 0 | 0 | 111.5 | L163 A197 R203 | L163-D201 HydrophobicContact CD2-CB 3.44Å; L163-D201 VanDerWaalsContact CD2-CB 3.44Å; A197-D201 PolarHBondContact O-N 2.92Å; D201-R203 PolarHBondContact O-N 2.82Å; D201-R203 VanDerWaalsContact O-N 3.12Å; D201-R203 WeakPolarHBondContact OD1-CD 3.25Å; D201-R203 IonicContact OD1-NH1 3.52Å; D201-R203 PolarHBondContact OD1-NH1 2.62Å; D201-R203 WeakPolarHBondContact OD2-CB 3.27Å; D201-R203 WeakPolarHBondContact OD2-CD 3.46Å; D201-R203 WeakPolarHBondContact OD2-CG 3.38Å; D201-R203 PolarHBondContact OD2-N 3.2Å |
| 202 | G | 93.6 | Very high | 94.6 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | trans | 72.5 | -1.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A198 H199 L204 | A198-G202 PolarHBondContact O-N 2.72Å; H199-G202 PolarHBondContact O-N 3Å; G202-L204 VanDerWaalsContact C-N 3.33Å | ||
| 203 | R | 93.4 | Very high | 94.6 | Very high | 115 Ų | 115 | 53.4 Ų | 53.4 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | trans | -91.2 | 8 | -178.5 | -55.7 | 157.1 | 53.9 | -144.3 | 1 | 113.4 | W159 K160 M161 D201 | W159-R203 VanDerWaalsContact CZ2-O 3.25Å; W159-R203 WeakPolarHBondContact CZ2-O 3.35Å; K160-R203 PolarHBondContact O-NH2 3.31Å; M161-R203 HydrophobicContact CE-CB 4.25Å; M161-R203 WeakPolarHBondContact CE-O 3.49Å; D201-R203 PolarHBondContact O-N 2.82Å; D201-R203 VanDerWaalsContact O-N 3.12Å; D201-R203 WeakPolarHBondContact OD1-CD 3.25Å; D201-R203 IonicContact OD1-NH1 3.52Å; D201-R203 PolarHBondContact OD1-NH1 2.62Å; D201-R203 WeakPolarHBondContact OD2-CB 3.27Å; D201-R203 WeakPolarHBondContact OD2-CD 3.46Å; D201-R203 WeakPolarHBondContact OD2-CG 3.38Å; D201-R203 PolarHBondContact OD2-N 3.2Å | ||
| 204 | L | 94.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | trans | -122.3 | 127.5 | 178.8 | -170 | 63.5 | 0 | 0 | 0 | 110.1 | M161 I172 V189 A198 G202 D208 L210 V241 | M161-L204 HydrophobicContact CE-CB 3.91Å; M161-L204 HydrophobicContact CE-CD1 3.98Å; M161-L204 HydrophobicContact CE-CG 4.46Å; M161-L204 HydrophobicContact SD-CB 4.27Å; M161-L204 HydrophobicContact SD-CD1 4.43Å; M161-L204 HydrophobicContact SD-CD2 4.48Å; I172-L204 HydrophobicContact CD1-CD2 4.43Å; I172-L204 HydrophobicContact CG2-CD2 3.76Å; V189-L204 HydrophobicContact CG2-CD1 4.17Å; V189-L204 HydrophobicContact CG2-CD2 4.21Å; V189-L204 HydrophobicContact CG2-CG 4.28Å; A198-L204 HydrophobicContact CB-CD2 4.08Å; G202-L204 VanDerWaalsContact C-N 3.33Å; L204-D208 HydrophobicContact CD1-CB 3.93Å; L204-L210 HydrophobicContact CD1-CD2 4.25Å; L204-V241 HydrophobicContact CD1-CG1 3.74Å; L204-V241 HydrophobicContact CD1-CG2 4.11Å | ||
| 205 | S | 93.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | trans | -118.2 | 163.3 | -175.5 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | G207 D208 | S205-G207 PolarHBondContact O-N 2.92Å; S205-D208 PolarHBondContact N-OD2 3.39Å; S205-D208 WeakPolarHBondContact O-CB 3.37Å; S205-D208 PolarHBondContact O-N 2.95Å | ||
| 206 | L | 93.9 | Very high | 94.7 | Very high | 125 Ų | 125 | 49.7 Ų | 49.7 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 127.3 | 169.8 | -169.4 | 165.8 | 0 | 0 | 0 | 109.2 | T190 | T190-L206 VanDerWaalsContact O-CD1 3.25Å; T190-L206 WeakPolarHBondContact O-CD1 3.43Å; T190-L206 WeakPolarHBondContact O-CG 3.41Å |
| 207 | G | 92 | Very high | 94.7 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -7.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | V189 S205 | V189-G207 PolarHBondContact O-N 2.99Å; S205-G207 PolarHBondContact O-N 2.92Å |
| 208 | D | 94.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -68.8 | 142.2 | 170.2 | -70.2 | -20.3 | 0 | 0 | 0 | 111 | V189 L204 S205 V241 S243 | V189-D208 PolarHBondContact N-O 2.87Å; L204-D208 HydrophobicContact CD1-CB 3.93Å; S205-D208 PolarHBondContact N-OD2 3.39Å; S205-D208 WeakPolarHBondContact O-CB 3.37Å; S205-D208 PolarHBondContact O-N 2.95Å; D208-V241 HydrophobicContact CB-CG1 3.72Å; D208-S243 WeakPolarHBondContact OD1-CA 3.09Å; D208-S243 WeakPolarHBondContact OD1-CB 3.42Å; D208-S243 PolarHBondContact OD1-OG 3.17Å | ||
| 209 | E | 94.8 | Very high | 94.5 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 23% | 0.229 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.8 | -179.4 | -50.3 | -160.6 | 165.8 | 0 | 0 | 111 | A186 I187 V188 V241 A242 | A186-E209 WeakPolarHBondContact CB-OE2 3.42Å; I187-E209 CarbonylContact O-C 3.53Å; I187-E209 WeakPolarHBondContact O-CA 3.42Å; V188-E209 HydrophobicContact CG1-CG 4.47Å; V188-E209 HydrophobicContact CG2-CG 4.05Å; E209-V241 WeakPolarHBondContact O-CA 3.48Å; E209-A242 PolarHBondContact N-O 3.29Å; E209-A242 PolarHBondContact O-N 3.36Å |
| 210 | L | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 113.1 | 176.6 | -54.5 | -174.7 | 0 | 0 | 0 | 109.5 | I172 V174 I187 V189 L204 I213 L218 L239 V241 | I172-L210 HydrophobicContact CD1-CD1 4Å; V174-L210 HydrophobicContact CG1-CD1 3.72Å; I187-L210 HydrophobicContact CG2-CB 4.46Å; I187-L210 HydrophobicContact CG2-CD1 4.46Å; I187-L210 PolarHBondContact O-N 3.47Å; V189-L210 HydrophobicContact CG2-CD1 4.36Å; V189-L210 HydrophobicContact CG2-CD2 3.92Å; V189-L210 HydrophobicContact CG2-CG 4.04Å; L204-L210 HydrophobicContact CD1-CD2 4.25Å; L210-I213 HydrophobicContact CD1-CD1 4.34Å; L210-L218 HydrophobicContact CB-CD1 3.77Å; L210-L239 HydrophobicContact CD1-CD2 4.33Å; L210-L239 HydrophobicContact CD2-CD2 4.05Å; L210-V241 HydrophobicContact CD2-CG2 3.89Å |
| 211 | L | 95.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -41.8 | -178.3 | -58.8 | -176.3 | 0 | 0 | 0 | 112.4 | I158 L218 V219 V240 A242 | I158-L211 HydrophobicContact CD1-CD1 4.17Å; I158-L211 HydrophobicContact CG2-CD1 4.09Å; L211-L218 PolarHBondContact O-N 3.08Å; L211-V219 HydrophobicContact CD2-CG2 4.01Å; L211-V240 HydrophobicContact CB-CG1 4.5Å; L211-V240 PolarHBondContact N-O 3.23Å; L211-A242 HydrophobicContact CD1-CB 4.04Å; L211-A242 HydrophobicContact CG-CB 4.26Å |
| 212 | V | 96.4 | Very high | 94.2 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 140.9 | -174.6 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | G215 H216 L217 L239 V240 | V212-G215 VanDerWaalsContact CG1-C 3.49Å; V212-H216 CarbonylContact C-O 3.55Å; V212-H216 VanDerWaalsContact CA-O 3.24Å; V212-H216 WeakPolarHBondContact CA-O 3.32Å; V212-H216 WeakPolarHBondContact CG1-O 3.16Å; V212-L217 HydrophobicContact CG2-CD1 4.04Å; V212-L239 WeakPolarHBondContact O-CA 3.18Å; V212-V240 HydrophobicContact CB-CB 3.83Å; V212-V240 HydrophobicContact CB-CG2 3.76Å; V212-V240 HydrophobicContact CG1-CG2 4.41Å; V212-V240 HydrophobicContact CG2-CB 4.09Å; V212-V240 HydrophobicContact CG2-CG2 4.15Å; V212-V240 PolarHBondContact N-O 3.08Å; V212-V240 PolarHBondContact O-N 3.3Å |
| 213 | I | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.5 | 171.2 | -65.6 | -177.6 | 0 | 0 | 0 | 109.9 | L210 G215 H216 L218 I229 L230 V237 Q238 L239 | L210-I213 HydrophobicContact CD1-CD1 4.34Å; I213-G215 PolarHBondContact O-N 2.86Å; I213-G215 VanDerWaalsContact O-N 3.14Å; I213-H216 PolarHBondContact N-O 3.07Å; I213-H216 VanDerWaalsContact O-CB 3.3Å; I213-H216 WeakPolarHBondContact O-CB 3.34Å; I213-H216 PolarHBondContact O-N 2.91Å; I213-H216 PolarHBondContact O-ND1 2.79Å; I213-L218 HydrophobicContact CD1-CD1 3.76Å; I213-L218 HydrophobicContact CG1-CD1 3.92Å; I213-L218 HydrophobicContact CG1-CG 4.46Å; I213-I229 HydrophobicContact CB-CG2 3.99Å; I213-I229 HydrophobicContact CG2-CG2 3.96Å; I213-L230 HydrophobicContact CD1-CD1 4.43Å; I213-L230 HydrophobicContact CD1-CD2 3.41Å; I213-L230 VanDerWaalsContact CD1-CD2 3.41Å; I213-L230 HydrophobicContact CD1-CG 3.6Å; I213-V237 HydrophobicContact CG2-CG1 3.66Å; I213-Q238 CarbonylContact C-O 3.53Å; I213-Q238 WeakPolarHBondContact CA-O 3.42Å; I213-L239 HydrophobicContact CD1-CD2 4.11Å; I213-L239 HydrophobicContact CG1-CD2 4.02Å; I213-L239 HydrophobicContact CG1-CG 4.34Å |
| 214 | N | 95.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 44.7 | -178.8 | -70.5 | -0.1 | 0 | 0 | 0 | 112.6 | H216 V237 Q238 | N214-H216 VanDerWaalsContact C-N 3.28Å; N214-H216 PolarHBondContact O-N 2.85Å; N214-H216 PolarHBondContact O-ND1 3.2Å; N214-V237 WeakPolarHBondContact OD1-CA 3.22Å; N214-Q238 PolarHBondContact N-O 2.86Å; N214-Q238 PolarHBondContact OD1-N 3.33Å |
| 215 | G | 94 | Very high | 94.4 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 68% | 0.68 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -10.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V212 I213 | V212-G215 VanDerWaalsContact CG1-C 3.49Å; I213-G215 PolarHBondContact O-N 2.86Å; I213-G215 VanDerWaalsContact O-N 3.14Å |
| 216 | H | 95.7 | Very high | 94.5 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.7 | 179.5 | -57.9 | 75.1 | 0 | 0 | 0 | 110.7 | V212 I213 N214 I229 | V212-H216 CarbonylContact C-O 3.55Å; V212-H216 VanDerWaalsContact CA-O 3.24Å; V212-H216 WeakPolarHBondContact CA-O 3.32Å; V212-H216 WeakPolarHBondContact CG1-O 3.16Å; I213-H216 PolarHBondContact N-O 3.07Å; I213-H216 VanDerWaalsContact O-CB 3.3Å; I213-H216 WeakPolarHBondContact O-CB 3.34Å; I213-H216 PolarHBondContact O-N 2.91Å; I213-H216 PolarHBondContact O-ND1 2.79Å; N214-H216 VanDerWaalsContact C-N 3.28Å; N214-H216 PolarHBondContact O-N 2.85Å; N214-H216 PolarHBondContact O-ND1 3.2Å; H216-I229 HydrophobicContact CB-CD1 4.12Å; H216-I229 HydrophobicContact CB-CG2 4.21Å |
| 217 | L | 95.3 | Very high | 94.6 | Very high | 109 Ų | 109 | 48.5 Ų | 48.5 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127 | 175.4 | -175.1 | 73.7 | 0 | 0 | 0 | 110.3 | V212 V219 L221 | V212-L217 HydrophobicContact CG2-CD1 4.04Å; L217-V219 HydrophobicContact CD1-CB 4.19Å; L217-V219 HydrophobicContact CD1-CG2 3.88Å; L217-V219 HydrophobicContact CD2-CB 4.39Å; L217-V219 HydrophobicContact CG-CB 4.11Å; L217-V219 HydrophobicContact CG-CG2 4.32Å; L217-L221 WeakPolarHBondContact O-CD1 3.49Å |
| 218 | L | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -92.1 | -17.7 | 178.1 | -60.8 | -173.4 | 0 | 0 | 0 | 113.7 | I187 L210 L211 I213 G220 L221 A226 I229 | I187-L218 HydrophobicContact CB-CD1 4.22Å; I187-L218 HydrophobicContact CG1-CB 4.01Å; I187-L218 HydrophobicContact CG1-CD1 4.28Å; I187-L218 HydrophobicContact CG2-CD1 4.35Å; L210-L218 HydrophobicContact CB-CD1 3.77Å; L211-L218 PolarHBondContact O-N 3.08Å; I213-L218 HydrophobicContact CD1-CD1 3.76Å; I213-L218 HydrophobicContact CG1-CD1 3.92Å; I213-L218 HydrophobicContact CG1-CG 4.46Å; L218-G220 PolarHBondContact O-N 3.38Å; L218-L221 HydrophobicContact CD2-CD1 4.14Å; L218-L221 WeakPolarHBondContact O-CB 3.39Å; L218-L221 PolarHBondContact O-N 3.07Å; L218-L221 VanDerWaalsContact O-N 3.08Å; L218-A226 HydrophobicContact CD2-CB 4.12Å; L218-I229 HydrophobicContact CD2-CB 4.42Å; L218-I229 HydrophobicContact CD2-CD1 3.75Å; L218-I229 HydrophobicContact CD2-CG2 4.34Å | ||
| 219 | V | 92 | Very high | 94.8 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 44% | 0.436 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 121.7 | -176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | H185 L211 L217 L221 | H185-V219 WeakPolarHBondContact O-CA 3.46Å; L211-V219 HydrophobicContact CD2-CG2 4.01Å; L217-V219 HydrophobicContact CD1-CB 4.19Å; L217-V219 HydrophobicContact CD1-CG2 3.88Å; L217-V219 HydrophobicContact CD2-CB 4.39Å; L217-V219 HydrophobicContact CG-CB 4.11Å; L217-V219 HydrophobicContact CG-CG2 4.32Å; V219-L221 VanDerWaalsContact C-N 3.32Å; V219-L221 PolarHBondContact O-N 3.25Å |
| 220 | G | 89 | Confident | 94.8 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -2.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | H185 L218 | H185-G220 PolarHBondContact O-N 3Å; L218-G220 PolarHBondContact O-N 3.38Å |
| 221 | L | 93.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -71.5 | 156.9 | 170.5 | -61.6 | -171.1 | 0 | 0 | 0 | 111.3 | G177 R178 L217 L218 V219 E225 I229 | G177-L221 CarbonylContact C-O 3.57Å; G177-L221 VanDerWaalsContact CA-O 3.22Å; G177-L221 WeakPolarHBondContact CA-O 3.39Å; R178-L221 PolarHBondContact N-O 3.4Å; L217-L221 WeakPolarHBondContact O-CD1 3.49Å; L218-L221 HydrophobicContact CD2-CD1 4.14Å; L218-L221 WeakPolarHBondContact O-CB 3.39Å; L218-L221 PolarHBondContact O-N 3.07Å; L218-L221 VanDerWaalsContact O-N 3.08Å; V219-L221 VanDerWaalsContact C-N 3.32Å; V219-L221 PolarHBondContact O-N 3.25Å; L221-E225 HydrophobicContact CB-CB 4.16Å; L221-E225 HydrophobicContact CD1-CB 4.3Å; L221-I229 HydrophobicContact CD1-CD1 3.51Å | ||
| 222 | S | 95.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | trans | -69.1 | 163.1 | 166.5 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | E224 E225 A226 | S222-E224 VanDerWaalsContact C-N 3.3Å; S222-E224 PolarHBondContact O-N 2.77Å; S222-E225 WeakPolarHBondContact CB-OE2 3.3Å; S222-E225 PolarHBondContact N-OE2 2.85Å; S222-E225 PolarHBondContact O-N 3.06Å; S222-E225 VanDerWaalsContact OG-CD 3.28Å; S222-E225 VanDerWaalsContact OG-CG 3.31Å; S222-E225 WeakPolarHBondContact OG-CG 3.42Å; S222-E225 PolarHBondContact OG-N 3.09Å; S222-E225 PolarHBondContact OG-OE2 3.49Å; S222-A226 PolarHBondContact O-N 2.88Å; S222-A226 VanDerWaalsContact O-N 3.13Å | ||
| 223 | H | 95 | Very high | 94.5 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 175 | -179 | 62.4 | 0 | 0 | 0 | 112.3 | V174 A226 V227 | V174-H223 PolarHBondContact O-CE1 3.19Å; V174-H223 VanDerWaalsContact O-CE1 3.29Å; H223-A226 PolarHBondContact O-N 2.91Å; H223-V227 WeakPolarHBondContact O-CB 3.45Å; H223-V227 VanDerWaalsContact O-CG2 3.32Å; H223-V227 WeakPolarHBondContact O-CG2 3.44Å; H223-V227 PolarHBondContact O-N 2.79Å |
| 224 | E | 95.8 | Very high | 94.4 | Very high | 157 Ų | 157 | 65.5 Ų | 65.5 | 73% | 0.734 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | -178.2 | -66 | 174.3 | -163.6 | 0 | 0 | 112.1 | S222 V227 A228 | S222-E224 VanDerWaalsContact C-N 3.3Å; S222-E224 PolarHBondContact O-N 2.77Å; E224-V227 PolarHBondContact O-N 2.9Å; E224-A228 WeakPolarHBondContact O-CB 3.38Å; E224-A228 PolarHBondContact O-N 2.88Å |
| 225 | E | 95.6 | Very high | 94.4 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.3 | -71.2 | 162.2 | 128 | 0 | 0 | 111.6 | L221 S222 A228 I229 | L221-E225 HydrophobicContact CB-CB 4.16Å; L221-E225 HydrophobicContact CD1-CB 4.3Å; S222-E225 WeakPolarHBondContact CB-OE2 3.3Å; S222-E225 PolarHBondContact N-OE2 2.85Å; S222-E225 PolarHBondContact O-N 3.06Å; S222-E225 VanDerWaalsContact OG-CD 3.28Å; S222-E225 VanDerWaalsContact OG-CG 3.31Å; S222-E225 WeakPolarHBondContact OG-CG 3.42Å; S222-E225 PolarHBondContact OG-N 3.09Å; S222-E225 PolarHBondContact OG-OE2 3.49Å; E225-A228 WeakPolarHBondContact O-CB 3.25Å; E225-A228 PolarHBondContact O-N 3.12Å; E225-I229 WeakPolarHBondContact O-CG1 3.28Å; E225-I229 PolarHBondContact O-N 3.17Å |
| 226 | A | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I187 L218 S222 H223 I229 L230 | I187-A226 HydrophobicContact CD1-CB 3.48Å; I187-A226 VanDerWaalsContact CD1-CB 3.48Å; I187-A226 HydrophobicContact CG1-CB 3.63Å; I187-A226 HydrophobicContact CG2-CB 4.35Å; L218-A226 HydrophobicContact CD2-CB 4.12Å; S222-A226 PolarHBondContact O-N 2.88Å; S222-A226 VanDerWaalsContact O-N 3.13Å; H223-A226 PolarHBondContact O-N 2.91Å; A226-I229 PolarHBondContact O-N 2.87Å; A226-L230 WeakPolarHBondContact O-CB 3.39Å; A226-L230 PolarHBondContact O-N 2.99Å |
| 227 | V | 94.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | V174 H223 E224 L230 R231 | V174-V227 HydrophobicContact CG2-CG2 4.15Å; H223-V227 WeakPolarHBondContact O-CB 3.45Å; H223-V227 VanDerWaalsContact O-CG2 3.32Å; H223-V227 WeakPolarHBondContact O-CG2 3.44Å; H223-V227 PolarHBondContact O-N 2.79Å; E224-V227 PolarHBondContact O-N 2.9Å; V227-L230 PolarHBondContact O-N 3.3Å; V227-R231 HydrophobicContact CG1-CG 4.36Å; V227-R231 WeakPolarHBondContact O-CB 3.39Å; V227-R231 VanDerWaalsContact O-CG 3.29Å; V227-R231 WeakPolarHBondContact O-CG 3.4Å; V227-R231 PolarHBondContact O-N 3.15Å |
| 228 | A | 95.7 | Very high | 94.6 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | E224 E225 R231 S232 | E224-A228 WeakPolarHBondContact O-CB 3.38Å; E224-A228 PolarHBondContact O-N 2.88Å; E225-A228 WeakPolarHBondContact O-CB 3.25Å; E225-A228 PolarHBondContact O-N 3.12Å; A228-R231 PolarHBondContact O-N 3.44Å; A228-S232 WeakPolarHBondContact O-CB 3.22Å; A228-S232 PolarHBondContact O-N 2.92Å; A228-S232 PolarHBondContact O-OG 2.86Å |
| 229 | I | 95.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -52 | 174.2 | -67.4 | 163.1 | 0 | 0 | 0 | 110.4 | I213 H216 L218 L221 E225 A226 R231 S232 A233 | I213-I229 HydrophobicContact CB-CG2 3.99Å; I213-I229 HydrophobicContact CG2-CG2 3.96Å; H216-I229 HydrophobicContact CB-CD1 4.12Å; H216-I229 HydrophobicContact CB-CG2 4.21Å; L218-I229 HydrophobicContact CD2-CB 4.42Å; L218-I229 HydrophobicContact CD2-CD1 3.75Å; L218-I229 HydrophobicContact CD2-CG2 4.34Å; L221-I229 HydrophobicContact CD1-CD1 3.51Å; E225-I229 WeakPolarHBondContact O-CG1 3.28Å; E225-I229 PolarHBondContact O-N 3.17Å; A226-I229 PolarHBondContact O-N 2.87Å; I229-R231 VanDerWaalsContact C-N 3.28Å; I229-R231 PolarHBondContact O-N 2.99Å; I229-S232 WeakPolarHBondContact CA-OG 3.31Å; I229-S232 PolarHBondContact O-N 2.86Å; I229-S232 VanDerWaalsContact O-N 3.11Å; I229-S232 PolarHBondContact O-OG 3.38Å; I229-A233 PolarHBondContact O-N 2.88Å; I229-A233 VanDerWaalsContact O-N 3.07Å |
| 230 | L | 94.4 | Very high | 95 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.8 | -38.9 | 175.8 | -84.2 | 160.9 | 0 | 0 | 0 | 113.7 | L170 I172 V174 I213 A226 V227 | L170-L230 HydrophobicContact CD1-CD2 3.83Å; I172-L230 HydrophobicContact CD1-CD2 4.22Å; V174-L230 HydrophobicContact CG1-CD1 4.19Å; V174-L230 HydrophobicContact CG2-CD1 3.77Å; I213-L230 HydrophobicContact CD1-CD1 4.43Å; I213-L230 HydrophobicContact CD1-CD2 3.41Å; I213-L230 VanDerWaalsContact CD1-CD2 3.41Å; I213-L230 HydrophobicContact CD1-CG 3.6Å; A226-L230 WeakPolarHBondContact O-CB 3.39Å; A226-L230 PolarHBondContact O-N 2.99Å; V227-L230 PolarHBondContact O-N 3.3Å |
| 231 | R | 94 | Very high | 95.3 | Very high | 194 Ų | 194 | 59.4 Ų | 59.4 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -79 | -29.9 | 178.4 | -73.1 | 178.3 | 67.1 | -105.3 | -2.4 | 113.3 | V227 A228 I229 | V227-R231 HydrophobicContact CG1-CG 4.36Å; V227-R231 WeakPolarHBondContact O-CB 3.39Å; V227-R231 VanDerWaalsContact O-CG 3.29Å; V227-R231 WeakPolarHBondContact O-CG 3.4Å; V227-R231 PolarHBondContact O-N 3.15Å; A228-R231 PolarHBondContact O-N 3.44Å; I229-R231 VanDerWaalsContact C-N 3.28Å; I229-R231 PolarHBondContact O-N 2.99Å |
| 232 | S | 94.2 | Very high | 95.3 | Very high | 85 Ų | 85 | 58 Ų | 58 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -76 | -24.3 | 178 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | A228 I229 | A228-S232 WeakPolarHBondContact O-CB 3.22Å; A228-S232 PolarHBondContact O-N 2.92Å; A228-S232 PolarHBondContact O-OG 2.86Å; I229-S232 WeakPolarHBondContact CA-OG 3.31Å; I229-S232 PolarHBondContact O-N 2.86Å; I229-S232 VanDerWaalsContact O-N 3.11Å; I229-S232 PolarHBondContact O-OG 3.38Å |
| 233 | A | 93.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | trans | -65.4 | 137.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K165 I229 V237 | K165-A233 WeakPolarHBondContact CD-O 3.41Å; K165-A233 WeakPolarHBondContact CE-O 3.25Å; I229-A233 PolarHBondContact O-N 2.88Å; I229-A233 VanDerWaalsContact O-N 3.07Å; A233-V237 HydrophobicContact CB-CG1 4.06Å; A233-V237 HydrophobicContact CB-CG2 3.8Å | ||
| 234 | T | 93.6 | Very high | 94.4 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 66% | 0.656 | 31% | 0.314 | S | S | * | . | trans | -141.1 | 154.5 | -178.7 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 235 | G | 94.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 66.1 | -133.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K165 | K165-G235 WeakPolarHBondContact CB-O 3.46Å; K165-G235 PolarHBondContact N-O 3.29Å |
| 236 | M | 96 | Very high | 90.9 | Very high | 137 Ų | 137 | 59.1 Ų | 59.1 | 68% | 0.675 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 130.8 | 174.6 | -59.4 | -174.4 | -158.3 | 0 | 0 | 110.6 | L164 | L164-M236 HydrophobicContact CD1-CG 4.26Å |
| 237 | V | 96.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 115 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | E162 L163 K165 L170 I213 N214 A233 L239 | E162-V237 WeakPolarHBondContact CA-O 3.21Å; L163-V237 PolarHBondContact N-O 3.42Å; L163-V237 PolarHBondContact O-N 2.91Å; K165-V237 HydrophobicContact CB-CG2 3.97Å; L170-V237 HydrophobicContact CD1-CB 4.4Å; L170-V237 HydrophobicContact CD1-CG1 4.18Å; L170-V237 HydrophobicContact CD1-CG2 4.49Å; L170-V237 HydrophobicContact CD2-CB 4.11Å; L170-V237 HydrophobicContact CD2-CG2 3.99Å; I213-V237 HydrophobicContact CG2-CG1 3.66Å; N214-V237 WeakPolarHBondContact OD1-CA 3.22Å; A233-V237 HydrophobicContact CB-CG1 4.06Å; A233-V237 HydrophobicContact CB-CG2 3.8Å; V237-L239 HydrophobicContact CG1-CD1 4.26Å; V237-L239 HydrophobicContact CG1-CG 4.37Å; V237-L239 WeakPolarHBondContact O-CD1 3.15Å |
| 238 | Q | 97.3 | Very high | 86.1 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.4 | 174.9 | -57.4 | -170.8 | -36.6 | 0 | 0 | 109.3 | E162 I213 N214 | E162-Q238 HydrophobicContact CG-CG 4.13Å; E162-Q238 WeakPolarHBondContact OE1-CG 3.17Å; E162-Q238 PolarHBondContact OE1-NE2 3.5Å; I213-Q238 CarbonylContact C-O 3.53Å; I213-Q238 WeakPolarHBondContact CA-O 3.42Å; N214-Q238 PolarHBondContact N-O 2.86Å; N214-Q238 PolarHBondContact OD1-N 3.33Å |
| 239 | L | 97 | Very high | 83.5 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.4 | 174.4 | -55.7 | 102.6 | 0 | 0 | 0 | 111.1 | K160 M161 L163 L210 V212 I213 V237 V241 | K160-L239 WeakPolarHBondContact CA-O 3.19Å; M161-L239 HydrophobicContact CG-CB 3.81Å; M161-L239 HydrophobicContact CG-CD1 4.04Å; M161-L239 PolarHBondContact N-O 2.95Å; M161-L239 PolarHBondContact O-N 3.33Å; M161-L239 HydrophobicContact SD-CB 4.47Å; M161-L239 HydrophobicContact SD-CD1 4.27Å; L163-L239 HydrophobicContact CB-CD1 4.23Å; L163-L239 HydrophobicContact CD1-CD1 3.9Å; L163-L239 HydrophobicContact CG-CD1 4.03Å; L210-L239 HydrophobicContact CD1-CD2 4.33Å; L210-L239 HydrophobicContact CD2-CD2 4.05Å; V212-L239 WeakPolarHBondContact O-CA 3.18Å; I213-L239 HydrophobicContact CD1-CD2 4.11Å; I213-L239 HydrophobicContact CG1-CD2 4.02Å; I213-L239 HydrophobicContact CG1-CG 4.34Å; V237-L239 HydrophobicContact CG1-CD1 4.26Å; V237-L239 HydrophobicContact CG1-CG 4.37Å; V237-L239 WeakPolarHBondContact O-CD1 3.15Å; L239-V241 HydrophobicContact CB-CG2 4Å |
| 240 | V | 96.8 | Very high | 80.8 | Confident | 30 Ų | 30 | 78 Ų | 78 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.7 | 162.9 | -172.5 | 0 | 0 | 0 | 0 | 107.5 | I158 W159 K160 L211 V212 | I158-V240 HydrophobicContact CG2-CG1 3.93Å; W159-V240 WeakPolarHBondContact O-CA 3.48Å; K160-V240 HydrophobicContact CD-CG2 4.31Å; K160-V240 HydrophobicContact CG-CG2 4.13Å; L211-V240 HydrophobicContact CB-CG1 4.5Å; L211-V240 PolarHBondContact N-O 3.23Å; V212-V240 HydrophobicContact CB-CB 3.83Å; V212-V240 HydrophobicContact CB-CG2 3.76Å; V212-V240 HydrophobicContact CG1-CG2 4.41Å; V212-V240 HydrophobicContact CG2-CB 4.09Å; V212-V240 HydrophobicContact CG2-CG2 4.15Å; V212-V240 PolarHBondContact N-O 3.08Å; V212-V240 PolarHBondContact O-N 3.3Å |
| 241 | V | 95.9 | Very high | 78.3 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 138.1 | -168 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | I158 W159 M161 L204 D208 E209 L210 L239 | I158-V241 CarbonylContact C-O 3.5Å; I158-V241 VanDerWaalsContact CA-O 3.3Å; I158-V241 WeakPolarHBondContact CA-O 3.46Å; W159-V241 HydrophobicContact CH2-CG1 4.13Å; W159-V241 HydrophobicContact CZ2-CB 4.21Å; W159-V241 HydrophobicContact CZ2-CG1 3.81Å; W159-V241 PolarHBondContact N-O 3.17Å; W159-V241 PolarHBondContact O-N 3.3Å; M161-V241 HydrophobicContact CE-CG2 3.95Å; M161-V241 HydrophobicContact CG-CG2 4.3Å; M161-V241 HydrophobicContact SD-CG2 4.18Å; L204-V241 HydrophobicContact CD1-CG1 3.74Å; L204-V241 HydrophobicContact CD1-CG2 4.11Å; D208-V241 HydrophobicContact CB-CG1 3.72Å; E209-V241 WeakPolarHBondContact O-CA 3.48Å; L210-V241 HydrophobicContact CD2-CG2 3.89Å; L239-V241 HydrophobicContact CB-CG2 4Å |
| 242 | A | 94.1 | Very high | 75.6 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 12% | 0.124 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R157 I158 E209 L211 | R157-A242 WeakPolarHBondContact O-CA 3.41Å; I158-A242 HydrophobicContact CG1-CB 3.94Å; E209-A242 PolarHBondContact N-O 3.29Å; E209-A242 PolarHBondContact O-N 3.36Å; L211-A242 HydrophobicContact CD1-CB 4.04Å; L211-A242 HydrophobicContact CG-CB 4.26Å |
| 243 | S | 91.4 | Very high | 73.1 | Confident | 38 Ų | 38 | 83.6 Ų | 83.6 | 27% | 0.266 | 47% | 0.468 | S | S | . | . | trans | -74.4 | 140.9 | 163.8 | -159.4 | 0 | 0 | 0 | 0 | 109.4 | G156 R157 D208 | G156-S243 CarbonylContact C-O 3.57Å; G156-S243 WeakPolarHBondContact CA-O 3.25Å; R157-S243 PolarHBondContact O-N 2.72Å; D208-S243 WeakPolarHBondContact OD1-CA 3.09Å; D208-S243 WeakPolarHBondContact OD1-CB 3.42Å; D208-S243 PolarHBondContact OD1-OG 3.17Å | ||
| 244 | K | 79.3 | Confident | 70.8 | Confident | 69 Ų | 69 | 89.7 Ų | 89.7 | 30% | 0.3 | 51% | 0.505 | S | S | . | . | trans | -83.7 | 119.8 | 161.7 | -170.9 | 162.3 | -170.3 | 158.7 | 0 | 108.4 | L246 | K244-L246 HydrophobicContact CB-CG 4.44Å; K244-L246 HydrophobicContact CD-CD2 4.08Å; K244-L246 HydrophobicContact CG-CD2 4.14Å; K244-L246 HydrophobicContact CG-CG 4.2Å; K244-L246 PolarHBondContact O-N 3.39Å | ||
| 245 | M | 58.5 | Low | 68 | Low | 150 Ų | 150 | 87.2 Ų | 87.2 | 74% | 0.739 | 50% | 0.5 | S | S | * | . | trans | -73.2 | 77.8 | 173.2 | -173.6 | 178.3 | 171.9 | 0 | 0 | 109.5 | G247 | M245-G247 PolarHBondContact O-N 3.38Š| ||
| 246 | L | 59.2 | Low | 65.1 | Low | 117 Ų | 117 | 91.2 Ų | 91.2 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | trans | -65.7 | 113.5 | 174.4 | -70.7 | 170.3 | 0 | 0 | 0 | 109.2 | K244 | K244-L246 HydrophobicContact CB-CG 4.44Å; K244-L246 HydrophobicContact CD-CD2 4.08Å; K244-L246 HydrophobicContact CG-CD2 4.14Å; K244-L246 HydrophobicContact CG-CG 4.2Å; K244-L246 PolarHBondContact O-N 3.39Å | ||
| 247 | G | 49.3 | Very low | 62.2 | Low | 54 Ų | 54 | 90.5 Ų | 90.5 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | trans | -55.1 | 138.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109 | M245 E249 | M245-G247 PolarHBondContact O-N 3.38Å; G247-E249 VanDerWaalsContact C-N 3.33Å; G247-E249 PolarHBondContact O-N 2.89Å | ||
| 248 | S | 40 | Very low | 59.4 | Low | 120 Ų | 120 | 100 Ų | 100 | 84% | 0.839 | 58% | 0.575 | S | S | * | * | trans | -74.9 | 78.7 | -169.2 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 249 | E | 42.6 | Very low | 56.5 | Low | 179 Ų | 179 | 102.1 Ų | 102.1 | 84% | 0.836 | 59% | 0.585 | S | S | * | * | trans | -99.5 | 98.8 | 177.4 | -68.1 | -67.5 | 130.4 | 0 | 0 | 111.3 | G247 | G247-E249 VanDerWaalsContact C-N 3.33Å; G247-E249 PolarHBondContact O-N 2.89Å | ||
| 250 | E | 37.9 | Very low | 53.7 | Low | 166 Ų | 166 | 107.9 Ų | 107.9 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | 51.7 | 105.2 | 158.2 | -149.9 | 165.3 | 114 | 0 | 0 | 120 | Q252 | E250-Q252 PolarHBondContact O-N 2.79Š| ||
| 251 | S | 41.5 | Very low | 51.1 | Low | 110 Ų | 110 | 115 Ų | 115 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | trans | -64 | 116.1 | 157.9 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | D253 | S251-D253 VanDerWaalsContact C-N 3.34Å; S251-D253 PolarHBondContact O-N 2.68Å | ||
| 252 | Q | 38.7 | Very low | 48.1 | Very low | 175 Ų | 175 | 118.4 Ų | 118.4 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -75.8 | 85.1 | 169.1 | -68.2 | -160.2 | -44.4 | 0 | 0 | 111.1 | E250 | E250-Q252 PolarHBondContact O-N 2.79Š| ||
| 253 | D | 40.8 | Very low | 45.3 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -71.9 | 125.1 | 157.8 | -179.7 | 13.8 | 0 | 0 | 0 | 109.3 | S251 G255 | S251-D253 VanDerWaalsContact C-N 3.34Å; S251-D253 PolarHBondContact O-N 2.68Å; D253-G255 PolarHBondContact OD1-N 2.79Å | ||
| 254 | V | 44.2 | Very low | 42.5 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -138.4 | 43.5 | 170.5 | -160.7 | 0 | 0 | 0 | 0 | 109.7 | S256 | V254-S256 PolarHBondContact O-N 3.15Š| ||
| 255 | G | 36.5 | Very low | 40.7 | Very low | 55 Ų | 55 | 134.3 Ų | 134.3 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | trans | -75.9 | 115.9 | 166 | 0 | 0 | 0 | 0 | 0 | 111.5 | D253 | D253-G255 PolarHBondContact OD1-N 2.79Š| ||
| 256 | S | 33.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 166.4 | 115.8 | 140.5 | -79.6 | 0 | 0 | 0 | 0 | 113.4 | V254 | V254-S256 PolarHBondContact O-N 3.15Š| ||
| 257 | S | 34.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -157.7 | 74.4 | 152.3 | 65.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 258 | E | 38.6 | Very low | 38.2 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 133.2 | 172.3 | -62.3 | -171.5 | 131.6 | 0 | 0 | 110.6 | ||||
| 259 | E | 36.1 | Very low | 38 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 114.6 | 163 | -177.5 | 173.6 | 178 | 0 | 0 | 109.9 | K261 | E259-K261 IonicContact OE1-NZ 2.82Å; E259-K261 PolarHBondContact OE1-NZ 3.33Å | ||
| 260 | S | 38.5 | Very low | 37.7 | Very low | 124 Ų | 124 | 142 Ų | 142 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -156.8 | 126.3 | 161.8 | -83 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | K | 42 | Very low | 37.5 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -96.1 | 128.2 | -179.2 | -67.3 | 168.9 | 178.4 | 108.9 | 0 | 109.1 | E259 | E259-K261 IonicContact OE1-NZ 2.82Å; E259-K261 PolarHBondContact OE1-NZ 3.33Å | ||
| 262 | G | 32.8 | Very low | 37.3 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -149.3 | 52 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 263 | N | 34.8 | Very low | 37.4 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 65.3 | 139.2 | 147.5 | -53.9 | -21.8 | 0 | 0 | 0 | 122.9 | ||||
| 264 | N | 33 | Very low | 37.6 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | 100.4 | 152.4 | 143 | -138 | -1.4 | 0 | 0 | 0 | 119.8 | ||||
| 265 | L | 42.5 | Very low | 37.9 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -111.6 | 154.1 | -167.2 | -51.7 | 89.4 | 0 | 0 | 0 | 112 | ||||
| 266 | E | 31.7 | Very low | 38.3 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | -162 | 172.2 | 119.8 | -156.9 | 65.2 | 123.4 | 0 | 0 | 109.2 | |||||
| 267 | S | 36.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 149.7 Ų | 149.7 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -122.5 | -162.9 | 179.7 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 268 | P | 46.1 | Very low | 38.9 | Very low | 105 Ų | 105 | 153 Ų | 153 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | cis | -139 | 164.2 | -15.6 | 38 | -19.4 | 0 | 0 | 0 | 117.2 | ||||
| 269 | K | 34.5 | Very low | 38.8 | Very low | 193 Ų | 193 | 149 Ų | 149 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 70.2 | 151.7 | 140.6 | -78.3 | 169.9 | -176.7 | 173.9 | 0 | 123.6 | ||||
| 270 | Q | 36.4 | Very low | 39.2 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | 73.3 | 136.7 | 157.3 | -76.4 | 177.1 | -15.4 | 0 | 0 | 120.1 | ||||
| 271 | G | 34.5 | Very low | 39.3 | Very low | 79 Ų | 79 | 155.4 Ų | 155.4 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | 151.6 | 72 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S273 | G271-S273 PolarHBondContact O-N 2.88Š| ||
| 272 | N | 36.7 | Very low | 39.3 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -74.3 | 120.5 | 174.6 | -104.8 | -39.7 | 0 | 0 | 0 | 111.2 | ||||
| 273 | S | 41.2 | Very low | 39.7 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 66% | 0.657 | 82% | 0.82 | S | S | * | * | trans | -147.7 | 112.7 | 162.7 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | G271 M275 | G271-S273 PolarHBondContact O-N 2.88Å; S273-M275 PolarHBondContact O-N 3.42Å | ||
| 274 | K | 44.9 | Very low | 39.8 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | trans | -91.1 | 80.1 | 173.6 | -73.4 | 179.2 | 178 | 172.2 | 0 | 110.7 | K276 | K274-K276 PolarHBondContact O-N 3.4Š| ||
| 275 | M | 49.9 | Very low | 40.2 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -87.8 | 99.9 | 169 | 58.7 | 177.4 | 70.7 | 0 | 0 | 111.7 | S273 L277 | S273-M275 PolarHBondContact O-N 3.42Å; M275-L277 PolarHBondContact O-N 3.47Å | ||
| 276 | K | 44.9 | Very low | 39.9 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -88.4 | 83 | -179.7 | -169.9 | 159.1 | 65.3 | 175.9 | 0 | 110.7 | K274 K278 | K274-K276 PolarHBondContact O-N 3.4Å; K276-K278 PolarHBondContact O-N 3.33Å | ||
| 277 | L | 41.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -59.8 | 114.9 | 179 | -98.6 | 164.6 | 0 | 0 | 0 | 111.4 | M275 S279 | M275-L277 PolarHBondContact O-N 3.47Å; L277-S279 PolarHBondContact O-N 3.36Å | ||
| 278 | K | 39.5 | Very low | 40.3 | Very low | 191 Ų | 191 | 154 Ų | 154 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | -81.9 | 89.8 | 179.3 | -65.7 | 175.6 | -178.3 | 173.3 | 0 | 109.7 | K276 R280 | K276-K278 PolarHBondContact O-N 3.33Å; K278-R280 PolarHBondContact O-N 3.29Å | ||
| 279 | S | 37.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -63.3 | 106.7 | 167.3 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | L277 | L277-S279 PolarHBondContact O-N 3.36Š| ||
| 280 | R | 43.7 | Very low | 40.2 | Very low | 232 Ų | 232 | 151.1 Ų | 151.1 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -90.8 | 113.8 | 169.5 | -93.5 | -178.6 | 161.1 | 155.1 | -7.3 | 108 | K278 S282 | K278-R280 PolarHBondContact O-N 3.29Å; R280-S282 PolarHBondContact O-N 3.16Å; R280-S282 VanDerWaalsContact O-N 3.1Å | ||
| 281 | L | 41.6 | Very low | 40.2 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -60 | 112.2 | 168.5 | -68 | 168.7 | 0 | 0 | 0 | 109.2 | ||||
| 282 | S | 41 | Very low | 40.2 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -117.9 | 120.7 | 164 | -171.2 | 0 | 0 | 0 | 0 | 107.1 | R280 G284 | R280-S282 PolarHBondContact O-N 3.16Å; R280-S282 VanDerWaalsContact O-N 3.1Å; S282-G284 PolarHBondContact O-N 2.8Å | ||
| 283 | G | 40.4 | Very low | 40.8 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 105.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 284 | G | 37.9 | Very low | 41.2 | Very low | 69 Ų | 69 | 156.5 Ų | 156.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -83 | 119.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S282 | S282-G284 PolarHBondContact O-N 2.8Š| ||
| 285 | V | 41.7 | Very low | 40.9 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -100.9 | 108.6 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | R287 | V285-R287 PolarHBondContact O-N 3.49Š| ||
| 286 | H | 36.5 | Very low | 40.8 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 132.7 | 169 | -67.5 | -105.3 | 0 | 0 | 0 | 109.4 | ||||
| 287 | R | 36.5 | Very low | 40.5 | Very low | 228 Ų | 228 | 153.1 Ų | 153.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -137.2 | 123.7 | 172.1 | 176.9 | 177.6 | 172.7 | 173.4 | -3 | 107.9 | V285 | V285-R287 PolarHBondContact O-N 3.49Š| ||
| 288 | L | 38.7 | Very low | 40.5 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -87.1 | 147.8 | 173.7 | -76.6 | 167.6 | 0 | 0 | 0 | 110.9 | ||||
| 289 | E | 38.9 | Very low | 40.8 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | trans | 67.3 | 153.2 | 141.4 | -75.3 | -176.9 | -127 | 0 | 0 | 120.4 | ||||
| 290 | S | 39.7 | Very low | 41.1 | Very low | 85 Ų | 85 | 153.3 Ų | 153.3 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | cis | -153.6 | 164.7 | 0.6 | -126.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 291 | V | 37.8 | Very low | 41 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | 54.1 | 117.6 | 153 | 179 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 292 | E | 33.8 | Very low | 40.8 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | -166.8 | 92.5 | 120 | -100.7 | 167.1 | -153.9 | 0 | 0 | 104.7 | |||||
| 293 | E | 50.3 | Low | 41 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | 59.7 | 136.9 | 93.9 | -153 | 175.1 | -153.9 | 0 | 0 | 114.7 | |||||
| 294 | Y | 48.1 | Very low | 41.3 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 65.3 | 107.1 | -169.9 | -63 | -93.2 | 0 | 0 | 0 | 116.3 | ||||
| 295 | N | 39.4 | Very low | 41.7 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | -169.2 | 116 | 117.7 | -98.8 | -59.5 | 0 | 0 | 0 | 113.1 | |||||
| 296 | E | 48.2 | Very low | 41.6 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 33.7 | 120.1 | 148.5 | -54 | -167.2 | 153.7 | 0 | 0 | 122.5 | M298 | E296-M298 PolarHBondContact O-N 3.08Š| ||
| 297 | L | 39.3 | Very low | 42.1 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 94.7 | 165.1 | -70.1 | 169.1 | 0 | 0 | 0 | 111.7 | V299 | L297-V299 PolarHBondContact O-N 3.03Š| ||
| 298 | M | 41.4 | Very low | 42.1 | Very low | 145 Ų | 145 | 156.4 Ų | 156.4 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 81.3 | 166 | -73.1 | -150.3 | -163.3 | 0 | 0 | 112.1 | E296 R300 | E296-M298 PolarHBondContact O-N 3.08Å; M298-R300 PolarHBondContact O-N 2.88Å | ||
| 299 | V | 45.6 | Very low | 42.3 | Very low | 130 Ų | 130 | 157 Ų | 157 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -75 | 112.8 | 163 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | L297 | L297-V299 PolarHBondContact O-N 3.03Š| ||
| 300 | R | 42.7 | Very low | 42.5 | Very low | 197 Ų | 197 | 157.8 Ų | 157.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -83.7 | 126 | 175 | -80.7 | -77.2 | 167.5 | 128.1 | -3.1 | 111 | M298 | M298-R300 PolarHBondContact O-N 2.88Š| ||
| 301 | N | 42.5 | Very low | 42.4 | Very low | 153 Ų | 153 | 160 Ų | 160 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 72.2 | 108.6 | 161.7 | -48.3 | -9.7 | 0 | 0 | 0 | 115.9 | ||
| 302 | G | 36.7 | Very low | 42.6 | Very low | 76 Ų | 76 | 158.9 Ų | 158.9 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 160.8 | 66.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 303 | D | 45.5 | Very low | 43.3 | Very low | 136 Ų | 136 | 162.4 Ų | 162.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -72.5 | 126.8 | 170.3 | -177.6 | 15.5 | 0 | 0 | 0 | 109.6 | R305 | D303-R305 PolarHBondContact OD1-N 2.74Š| ||
| 304 | P | 45.7 | Very low | 42.8 | Very low | 108 Ų | 108 | 160.4 Ų | 160.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | -143.8 | 108.3 | 116.5 | 34.8 | -18.8 | 0 | 0 | 0 | 114.6 | I306 | P304-I306 PolarHBondContact O-N 2.8Å; P304-I306 VanDerWaalsContact O-N 3.16Å | |||
| 305 | R | 46 | Very low | 42.9 | Very low | 225 Ų | 225 | 155 Ų | 155 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | 27 | 76.7 | 132.6 | -62.5 | 179.2 | 165.3 | -155.2 | -3 | 117.8 | D303 | D303-R305 PolarHBondContact OD1-N 2.74Š| ||
| 306 | I | 39.8 | Very low | 43.3 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -125.5 | 134.2 | 152.4 | -67.4 | -173.3 | 0 | 0 | 0 | 109.9 | P304 M308 | P304-I306 PolarHBondContact O-N 2.8Å; P304-I306 VanDerWaalsContact O-N 3.16Å; I306-M308 PolarHBondContact O-N 2.78Å | ||
| 307 | R | 47.3 | Very low | 43.2 | Very low | 243 Ų | 243 | 159.3 Ų | 159.3 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -78.3 | 104.8 | -177.9 | -54.3 | 176.6 | -167.6 | -132.8 | 3.8 | 109.2 | L309 | R307-L309 PolarHBondContact O-N 3.46Š| ||
| 308 | M | 36.9 | Very low | 43.6 | Very low | 189 Ų | 189 | 160.4 Ų | 160.4 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 113.1 | 167.8 | -161.3 | 171.1 | 75.1 | 0 | 0 | 108.5 | I306 | I306-M308 PolarHBondContact O-N 2.78Š| ||
| 309 | L | 42.9 | Very low | 44 | Very low | 154 Ų | 154 | 158.7 Ų | 158.7 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -71.3 | 136.6 | -170.9 | -169.2 | 68.6 | 0 | 0 | 0 | 111.6 | R307 V311 | R307-L309 PolarHBondContact O-N 3.46Å; L309-V311 PolarHBondContact O-N 2.91Å; L309-V311 VanDerWaalsContact O-N 3.17Å | ||
| 310 | E | 42.7 | Very low | 44.3 | Very low | 170 Ų | 170 | 160.2 Ų | 160.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -68.2 | 107.8 | 177.9 | -173.9 | 178.9 | 176.3 | 0 | 0 | 111.1 | S312 | E310-S312 PolarHBondContact O-N 3Š| ||
| 311 | V | 37.5 | Very low | 44.4 | Very low | 130 Ų | 130 | 156.8 Ų | 156.8 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -85.8 | 93.5 | 173.4 | -81 | 0 | 0 | 0 | 0 | 110.6 | L309 R313 | L309-V311 PolarHBondContact O-N 2.91Å; L309-V311 VanDerWaalsContact O-N 3.17Å; V311-R313 PolarHBondContact O-N 3Å | ||
| 312 | S | 42.7 | Very low | 44.6 | Very low | 96 Ų | 96 | 158.2 Ų | 158.2 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | -53 | 124.9 | 176.4 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | E310 D314 | E310-S312 PolarHBondContact O-N 3Å; S312-D314 PolarHBondContact O-N 3.06Å | ||
| 313 | R | 48.6 | Very low | 45.3 | Very low | 261 Ų | 261 | 161.7 Ų | 161.7 | 99% | 0.985 | 81% | 0.811 | S | S | * | * | trans | -78.7 | 62.8 | 173.9 | -68.4 | -176.5 | 174.6 | -174.7 | -0.6 | 111.4 | V311 | V311-R313 PolarHBondContact O-N 3Š| ||
| 314 | D | 39.9 | Very low | 45.3 | Very low | 118 Ų | 118 | 162.6 Ų | 162.6 | 63% | 0.631 | 82% | 0.815 | S | S | * | * | trans | -94.8 | 122.2 | 177.2 | -161 | 12.2 | 0 | 0 | 0 | 111.8 | S312 R316 | S312-D314 PolarHBondContact O-N 3.06Å; D314-R316 PolarHBondContact O-N 2.94Å; D314-R316 IonicContact OD2-NH2 3.29Å | ||
| 315 | G | 50.6 | Low | 45 | Very low | 78 Ų | 78 | 163.5 Ų | 163.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -86.7 | 86.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 316 | R | 46.5 | Very low | 45.1 | Very low | 203 Ų | 203 | 158.8 Ų | 158.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -118.3 | 143 | 171.9 | -67.3 | -174.4 | -172.5 | 164.3 | 10.9 | 113.3 | D314 | D314-R316 PolarHBondContact O-N 2.94Å; D314-R316 IonicContact OD2-NH2 3.29Å | ||
| 317 | K | 46.8 | Very low | 45.4 | Very low | 199 Ų | 199 | 157 Ų | 157 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -65 | 138.7 | -175.8 | -60.5 | -70.6 | -174.9 | 176.3 | 0 | 110.3 | S319 | K317-S319 PolarHBondContact O-N 3.19Š| ||
| 318 | H | 47 | Very low | 45.5 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -66.5 | 99.9 | 177.3 | -47.4 | -74.4 | 0 | 0 | 0 | 111.5 | ||||
| 319 | S | 49.2 | Very low | 45.8 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 135.3 | 156.2 | 51.8 | 0 | 0 | 0 | 0 | 109.1 | K317 | K317-S319 PolarHBondContact O-N 3.19Š|
| 320 | L | 53.2 | Low | 46.1 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.6 | 174.5 | -76.2 | 161.2 | 0 | 0 | 0 | 110.8 | Q322 | L320-Q322 PolarHBondContact O-N 2.87Š|
| 321 | P | 45.2 | Very low | 46.3 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.3 | 171 | 28.4 | -32.9 | 0 | 0 | 0 | 109.6 | ||
| 322 | Q | 47 | Very low | 47.1 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 124.7 | 166.2 | -74.5 | -175.6 | -79.7 | 0 | 0 | 109.2 | L320 | L320-Q322 PolarHBondContact O-N 2.87Š|
| 323 | L | 51.4 | Low | 47.2 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 134.1 | 167.7 | -167.6 | 78.9 | 0 | 0 | 0 | 109.1 | ||
| 324 | L | 44.9 | Very low | 47 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -139.1 | 89.7 | 172.2 | -87.1 | 171.1 | 0 | 0 | 0 | 109.5 | ||||
| 325 | D | 38.3 | Very low | 47.9 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -83.5 | 124.2 | 166.5 | -74.7 | -48.6 | 0 | 0 | 0 | 109.9 | T327 | D325-T327 VanDerWaalsContact C-N 3.32Å; D325-T327 PolarHBondContact O-N 2.86Å | ||
| 326 | S | 48.6 | Very low | 48.2 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -78.5 | 70.6 | -174.2 | -64 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 327 | T | 45.3 | Very low | 48.7 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -128.1 | 123.5 | 162.2 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | D325 T329 | D325-T327 VanDerWaalsContact C-N 3.32Å; D325-T327 PolarHBondContact O-N 2.86Å; T327-T329 PolarHBondContact O-N 3.03Å | ||
| 328 | G | 51.3 | Low | 49.2 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 103.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 329 | T | 41.8 | Very low | 49.2 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -130.5 | 114.8 | 150.4 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | T327 Q331 | T327-T329 PolarHBondContact O-N 3.03Å; T329-Q331 PolarHBondContact O-N 3.35Å | ||
| 330 | S | 49.3 | Very low | 49.4 | Very low | 129 Ų | 129 | 144 Ų | 144 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -78.5 | 105.7 | 178.3 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 331 | Q | 47.9 | Very low | 49.4 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | -98.7 | 100.7 | 176.4 | -164.2 | 168.7 | 40.5 | 0 | 0 | 109.6 | T329 Y333 | T329-Q331 PolarHBondContact O-N 3.35Å; Q331-Y333 HydrophobicContact CB-CD2 4.46Å; Q331-Y333 HydrophobicContact CB-CE2 3.9Å; Q331-Y333 VanDerWaalsContact CD-OH 3.26Å; Q331-Y333 HydrophobicContact CG-CD2 4.31Å; Q331-Y333 HydrophobicContact CG-CE2 3.64Å; Q331-Y333 WeakPolarHBondContact O-CD2 2.82Å; Q331-Y333 PolarHBondContact O-N 3.17Å; Q331-Y333 PolarHBondContact OE1-OH 3.36Å | ||
| 332 | E | 53.4 | Low | 49.2 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 112.1 | -178.5 | -170.7 | 177.7 | 170.6 | 0 | 0 | 111.4 | H334 | E332-H334 IonicContact OE1-CE1 3.12Å; E332-H334 PolarHBondContact OE1-CE1 2.91Å; E332-H334 IonicContact OE1-ND1 3.4Å; E332-H334 PolarHBondContact OE1-ND1 3.38Å | ||
| 333 | Y | 44 | Very low | 49.3 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 65% | 0.651 | 78% | 0.781 | S | S | * | * | trans | -98.3 | 100.9 | 177.5 | -75.6 | -86.7 | 0 | 0 | 0 | 111.3 | Q331 I335 | Q331-Y333 HydrophobicContact CB-CD2 4.46Å; Q331-Y333 HydrophobicContact CB-CE2 3.9Å; Q331-Y333 VanDerWaalsContact CD-OH 3.26Å; Q331-Y333 HydrophobicContact CG-CD2 4.31Å; Q331-Y333 HydrophobicContact CG-CE2 3.64Å; Q331-Y333 WeakPolarHBondContact O-CD2 2.82Å; Q331-Y333 PolarHBondContact O-N 3.17Å; Q331-Y333 PolarHBondContact OE1-OH 3.36Å; Y333-I335 PolarHBondContact O-N 2.86Å | ||
| 334 | H | 45.9 | Very low | 49.1 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -68 | 101.2 | 171.6 | -63.4 | -29.6 | 0 | 0 | 0 | 111.5 | E332 V336 | E332-H334 IonicContact OE1-CE1 3.12Å; E332-H334 PolarHBondContact OE1-CE1 2.91Å; E332-H334 IonicContact OE1-ND1 3.4Å; E332-H334 PolarHBondContact OE1-ND1 3.38Å; H334-V336 PolarHBondContact O-N 2.98Å | ||
| 335 | I | 57.8 | Low | 49.3 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 89.9 | 178.8 | -54.5 | 178.7 | 0 | 0 | 0 | 110.5 | Y333 K337 | Y333-I335 PolarHBondContact O-N 2.86Å; I335-K337 PolarHBondContact O-N 3.49Å; I335-K337 VanDerWaalsContact O-N 3.11Å | ||
| 336 | V | 57.9 | Low | 50 | Low | 120 Ų | 120 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -67.8 | 107.4 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | H334 K338 | H334-V336 PolarHBondContact O-N 2.98Å; V336-K338 VanDerWaalsContact C-N 3.33Å; V336-K338 PolarHBondContact O-N 3.24Å | ||
| 337 | K | 56.4 | Low | 49.9 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 80.7 | 176.6 | -72.9 | -177.4 | 176.1 | 176.1 | 0 | 112.1 | I335 S339 | I335-K337 PolarHBondContact O-N 3.49Å; I335-K337 VanDerWaalsContact O-N 3.11Å; K337-S339 PolarHBondContact O-N 2.99Å | ||
| 338 | K | 56.5 | Low | 49.7 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 106.5 | 169.8 | 47.3 | -171.9 | 168.6 | -172.6 | 0 | 111 | V336 T340 | V336-K338 VanDerWaalsContact C-N 3.33Å; V336-K338 PolarHBondContact O-N 3.24Å; K338-T340 PolarHBondContact O-N 2.7Å | ||
| 339 | S | 48.2 | Very low | 49.8 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -70.1 | 112.8 | -179.1 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | K337 R341 | K337-S339 PolarHBondContact O-N 2.99Å; S339-R341 PolarHBondContact O-N 3.3Å | ||
| 340 | T | 53.1 | Low | 50 | Low | 133 Ų | 133 | 146.2 Ų | 146.2 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -84.7 | 104.3 | 172.3 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | K338 S342 | K338-T340 PolarHBondContact O-N 2.7Å; T340-S342 PolarHBondContact O-N 3.49Å | ||
| 341 | R | 52.2 | Low | 50.3 | Low | 212 Ų | 212 | 145.4 Ų | 145.4 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -59.3 | 120.6 | 171.7 | 179.9 | 177 | -179.5 | -90.9 | 6.1 | 109.7 | S339 | S339-R341 PolarHBondContact O-N 3.3Š| ||
| 342 | S | 42.3 | Very low | 50.4 | Low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -56.6 | 138.7 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | T340 | T340-S342 PolarHBondContact O-N 3.49Š| ||
| 343 | L | 48.6 | Very low | 50.4 | Low | 143 Ų | 143 | 153.9 Ų | 153.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -125.2 | 148.7 | 163.9 | -71.3 | 178.9 | 0 | 0 | 0 | 108.5 | ||||
| 344 | S | 46.5 | Very low | 50.6 | Low | 108 Ų | 108 | 154.1 Ų | 154.1 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 147.5 | -159.1 | 47.3 | 0 | 0 | 0 | 0 | 115.2 | T346 | S344-T346 PolarHBondContact O-N 3.1Š| ||
| 345 | T | 49.3 | Very low | 50.6 | Low | 134 Ų | 134 | 154.7 Ų | 154.7 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -59.5 | 123.2 | 169.6 | 162.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 346 | T | 53.9 | Low | 50 | Low | 123 Ų | 123 | 158.2 Ų | 158.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -149.8 | 122.2 | 150.5 | 48.8 | 0 | 0 | 0 | 0 | 110 | S344 | S344-T346 PolarHBondContact O-N 3.1Š| ||
| 347 | H | 45.3 | Very low | 49.4 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | 30.7 | 105.3 | 163.3 | -96.8 | 77.1 | 0 | 0 | 0 | 119 | ||||
| 348 | V | 42.5 | Very low | 49.1 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -91.4 | 111.3 | 157.9 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 349 | E | 52.4 | Low | 48.9 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 122.8 | 170.7 | -170.9 | 171.1 | 178.6 | 0 | 0 | 110 | P351 | E349-P351 WeakPolarHBondContact O-CD 3.44Š| ||
| 350 | S | 45.4 | Very low | 49 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -67 | 116.8 | -170.8 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | W352 | S350-W352 PolarHBondContact O-N 3.01Š| ||
| 351 | P | 57.3 | Low | 48.4 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -80.4 | 35.3 | -169.6 | 34.7 | -38.6 | 0 | 0 | 0 | 114.3 | E349 | E349-P351 WeakPolarHBondContact O-CD 3.44Š|
| 352 | W | 49.5 | Very low | 48.1 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -137.2 | 74.9 | 179.4 | -65.9 | 112.7 | 0 | 0 | 0 | 111.1 | S350 | S350-W352 PolarHBondContact O-N 3.01Š| ||
| 353 | R | 54.4 | Low | 48.5 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -107.4 | 121 | 162.8 | -77.3 | -161.6 | 169.4 | -151.4 | -2.7 | 111.1 | I355 | R353-I355 PolarHBondContact O-N 3.18Š| ||
| 354 | L | 46.5 | Very low | 48.5 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -49.2 | 128.9 | 179.7 | -63.4 | 159.1 | 0 | 0 | 0 | 111.9 | R356 | L354-R356 PolarHBondContact O-N 3.19Å; L354-R356 VanDerWaalsContact O-N 3.17Å | ||
| 355 | I | 46.2 | Very low | 48.7 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -68.7 | 110.1 | 166.3 | -60.5 | 172.5 | 0 | 0 | 0 | 107.5 | R353 | R353-I355 PolarHBondContact O-N 3.18Š| ||
| 356 | R | 45.5 | Very low | 48.6 | Very low | 228 Ų | 228 | 158.2 Ų | 158.2 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 128.4 | 162.6 | -67.4 | -172.5 | -178.1 | -174.5 | 1.1 | 108.4 | L354 S358 | L354-R356 PolarHBondContact O-N 3.19Å; L354-R356 VanDerWaalsContact O-N 3.17Å; R356-S358 PolarHBondContact O-N 3.22Å |
| 357 | P | 46.1 | Very low | 48.3 | Very low | 119 Ų | 119 | 160.3 Ų | 160.3 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 126.2 | 166.2 | 28.4 | -32.3 | 0 | 0 | 0 | 109.1 | V359 | P357-V359 PolarHBondContact O-N 3.41Š|
| 358 | S | 50.2 | Low | 48.5 | Very low | 99 Ų | 99 | 158.6 Ų | 158.6 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.7 | 175.6 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | R356 I360 | R356-S358 PolarHBondContact O-N 3.22Å; S358-I360 PolarHBondContact O-N 3.4Å; S358-I360 VanDerWaalsContact O-N 3.08Å |
| 359 | V | 50.5 | Low | 48.9 | Very low | 143 Ų | 143 | 160.2 Ų | 160.2 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -70.6 | 103.5 | 167 | 178.9 | 0 | 0 | 0 | 0 | 108 | P357 S361 | P357-V359 PolarHBondContact O-N 3.41Å; V359-S361 PolarHBondContact O-N 3.46Å | ||
| 360 | I | 51.7 | Low | 48.6 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 67% | 0.667 | 82% | 0.823 | S | S | * | * | trans | -84.7 | 107.3 | 170.7 | -65.4 | 175.9 | 0 | 0 | 0 | 107.6 | S358 I362 | S358-I360 PolarHBondContact O-N 3.4Å; S358-I360 VanDerWaalsContact O-N 3.08Å; I360-I362 HydrophobicContact CG2-CD1 3.76Å; I360-I362 HydrophobicContact CG2-CG1 3.79Å | ||
| 361 | S | 40.1 | Very low | 48.9 | Very low | 110 Ų | 110 | 164.2 Ų | 164.2 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -92.7 | 123.3 | 165.1 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | V359 | V359-S361 PolarHBondContact O-N 3.46Š| ||
| 362 | I | 45.3 | Very low | 48.2 | Very low | 149 Ų | 149 | 168.7 Ų | 168.7 | 76% | 0.764 | 85% | 0.845 | S | S | * | * | trans | -131.3 | 145.4 | 169.3 | -64 | 176 | 0 | 0 | 0 | 107.2 | I360 | I360-I362 HydrophobicContact CG2-CD1 3.76Å; I360-I362 HydrophobicContact CG2-CG1 3.79Å | ||
| 363 | I | 52.4 | Low | 48.1 | Very low | 237 Ų | 237 | 162.2 Ų | 162.2 | 100% | 1.215 | 84% | 0.839 | S | S | * | * | trans | -82.4 | 0 | -165.6 | -57.7 | 162.3 | 0 | 0 | 0 | 111.5 |
Retrieved 363 of 363 residues in 372.4 ms
(Link to these results)