| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 41.3 | Very low | 241 Ų | 241 | 169.3 Ų | 169.3 | 100% | 1.187 | 83% | 0.83 | S | S | * | * | 0 | 119.3 | 0 | -75.7 | 169.6 | 178.1 | 0 | 0 | 106.2 | |||||
| 2 | T | 38.4 | Very low | 40.7 | Very low | 110 Ų | 110 | 165 Ų | 165 | 68% | 0.675 | 82% | 0.821 | S | S | * | * | cis | -157.5 | 138.2 | 4.2 | -43.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | E | 41 | Very low | 40.2 | Very low | 139 Ų | 139 | 167.5 Ų | 167.5 | 65% | 0.65 | 82% | 0.823 | S | S | * | * | trans | 59.3 | 131.4 | 153.5 | -72.7 | -176.1 | 125.4 | 0 | 0 | 120.6 | ||||
| 4 | R | 47.3 | Very low | 40.1 | Very low | 207 Ų | 207 | 163.3 Ų | 163.3 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | 67.4 | 147.8 | 78.5 | -63 | 179 | 176.3 | 166.2 | -12.9 | 112.9 | |||||
| 5 | L | 44.8 | Very low | 39.7 | Very low | 129 Ų | 129 | 166.2 Ų | 166.2 | 68% | 0.675 | 83% | 0.825 | S | S | * | * | cis | -150.1 | 158.8 | 21.4 | -163.8 | 69.2 | 0 | 0 | 0 | 112.8 | ||||
| 6 | E | 40.7 | Very low | 39.7 | Very low | 165 Ų | 165 | 166.3 Ų | 166.3 | 77% | 0.771 | 82% | 0.822 | S | S | * | * | trans | 31.6 | 123.6 | 155.2 | -74.7 | 163.5 | -174.6 | 0 | 0 | 122.9 | ||||
| 7 | M | 41.1 | Very low | 39.5 | Very low | 187 Ų | 187 | 167.4 Ų | 167.4 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -91 | 124.9 | 141.7 | -69.3 | 176.3 | 66.9 | 0 | 0 | 109.1 | ||||
| 8 | S | 48 | Very low | 39.4 | Very low | 125 Ų | 125 | 161.5 Ų | 161.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -73.8 | 147 | 175 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 9 | K | 45.3 | Very low | 39.1 | Very low | 202 Ų | 202 | 162.9 Ų | 162.9 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | trans | -131.5 | 112.1 | -166.6 | -174.8 | 179.7 | -176.1 | 177.6 | 0 | 111.1 | ||||
| 10 | T | 37.1 | Very low | 39 | Very low | 145 Ų | 145 | 163.7 Ų | 163.7 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -127.3 | 153.5 | 168.5 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 11 | Y | 33.5 | Very low | 38.8 | Very low | 212 Ų | 212 | 161.6 Ų | 161.6 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -150 | -174.8 | -171 | -164.2 | -102.2 | 0 | 0 | 0 | 108.1 | ||||
| 12 | V | 34.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | 78.4 | 134.2 | 179.1 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | K | 34.1 | Very low | 38.7 | Very low | 197 Ų | 197 | 157.8 Ų | 157.8 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | cis | -141.2 | 148.5 | 15.1 | -152.5 | 160.3 | -175.8 | 173.9 | 0 | 113 | ||||
| 14 | S | 37.8 | Very low | 38.7 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -80.9 | 152.1 | 168 | -35.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | K | 35.3 | Very low | 38.2 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | -141.8 | 133.7 | 140.3 | -167 | 171.1 | -179.3 | -175.9 | 0 | 111.2 | ||||
| 16 | E | 39.9 | Very low | 37.8 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -93.9 | 149 | -177.2 | 167.3 | -176.5 | -125.5 | 0 | 0 | 111.1 | ||||
| 17 | M | 36.3 | Very low | 37.7 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | -171.3 | 129.2 | 136.1 | -98 | -55.3 | 179.5 | 0 | 0 | 108.3 | ||||
| 18 | G | 36.7 | Very low | 37.4 | Very low | 62 Ų | 62 | 156.6 Ų | 156.6 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | trans | -107.7 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 19 | E | 34.4 | Very low | 36.9 | Very low | 189 Ų | 189 | 160.4 Ų | 160.4 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | 58.6 | 112.1 | 166.2 | -56.3 | -167.5 | 158.4 | 0 | 0 | 118.5 | ||||
| 20 | L | 36 | Very low | 36.3 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | -147 | 144 | 109.4 | -108.4 | 175 | 0 | 0 | 0 | 110.2 | |||||
| 21 | V | 36.3 | Very low | 36.4 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -89.9 | 129 | -172.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 22 | N | 30.3 | Very low | 36.1 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -163.2 | 118.7 | 138.3 | -121.1 | -12.1 | 0 | 0 | 0 | 112.4 | ||||
| 23 | T | 40.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 71% | 0.712 | 82% | 0.823 | S | S | * | * | trans | -107.9 | 146.4 | 162.8 | 42 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 24 | P | 40.8 | Very low | 35.7 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | -116.1 | 128.9 | 105.3 | -8.5 | 27.4 | 0 | 0 | 0 | 110.4 | |||||
| 25 | S | 37.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | 69.7 | 54.7 | 56.9 | -159.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 26 | W | 36.4 | Very low | 35.4 | Very low | 252 Ų | 252 | 145.7 Ų | 145.7 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -159.4 | 83.8 | 136.3 | 68.1 | -51 | 0 | 0 | 0 | 110.2 | ||||
| 27 | M | 38 | Very low | 35 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -102.5 | 152.7 | 173 | -95.2 | -174.7 | 167.5 | 0 | 0 | 111.4 | ||||
| 28 | D | 35.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 67.7 | 120.8 | 154 | -168.1 | 53 | 0 | 0 | 0 | 120.9 | ||||
| 29 | K | 37.1 | Very low | 34.6 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | 176.8 | 130.8 | 125.5 | -95.4 | 162.6 | -173.8 | 177.6 | 0 | 108.6 | |||||
| 30 | G | 34.2 | Very low | 34.6 | Very low | 64 Ų | 64 | 144.3 Ų | 144.3 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | -167.5 | 170.1 | -6.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 31 | L | 37.3 | Very low | 34.4 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 97% | 0.969 | 77% | 0.774 | S | S | * | * | trans | -82.8 | 156.1 | -173.7 | -65.9 | 167.8 | 0 | 0 | 0 | 113.8 | ||||
| 32 | G | 28.1 | Very low | 34.1 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 126.8 | 103.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 33 | S | 28.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -162.2 | 131 | 145.1 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 34 | Q | 31 | Very low | 34.4 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | -156.8 | 152.6 | 170.9 | -147.8 | -163.5 | -53.1 | 0 | 0 | 109.1 | ||||
| 35 | N | 30.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | trans | 71.8 | 137 | 165.7 | -69.7 | 12.3 | 0 | 0 | 0 | 117.2 | ||||
| 36 | E | 36.5 | Very low | 34 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -168.9 | 154.5 | -11.6 | -137.4 | 176.9 | 144.2 | 0 | 0 | 113.3 | ||||
| 37 | V | 31.6 | Very low | 34.1 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 53.4 | 162.7 | 159.3 | -83.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 38 | K | 32.1 | Very low | 34 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | cis | -155 | 148.4 | 15.6 | -140.2 | 165.3 | -173.2 | -71.2 | 0 | 112.5 | ||||
| 39 | E | 33.6 | Very low | 34.5 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 39.8 | 151.1 | 144.5 | -68.6 | 161.1 | -169 | 0 | 0 | 121.6 | ||||
| 40 | E | 34.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -154.7 | 173 | -9 | -100 | -92.1 | 143.9 | 0 | 0 | 104.9 | ||||
| 41 | E | 31.6 | Very low | 35 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -165.6 | 164.7 | 46.4 | -162.3 | -165.2 | 132.9 | 0 | 0 | 111.4 | ||||
| 42 | S | 30 | Very low | 35 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 79.8 | 127.2 | 158.5 | -88.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 43 | R | 33.6 | Very low | 35.6 | Very low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -114.9 | -180 | 178.2 | -79.2 | 179.6 | 170.5 | -163.6 | -0.5 | 109.4 | ||||
| 44 | P | 43.6 | Very low | 36 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | cis | -127.5 | 160.7 | -34.7 | 31.3 | -15 | 0 | 0 | 0 | 112.8 | ||||
| 45 | G | 29.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -121 | 137.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 46 | T | 40.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -85.1 | 168.9 | 176.5 | -171.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 47 | Y | 37.7 | Very low | 37.2 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 63 | 151.4 | -174.4 | 97.3 | -97.1 | 0 | 0 | 0 | 115.6 | ||||
| 48 | G | 35.1 | Very low | 37.6 | Very low | 59 Ų | 59 | 145.9 Ų | 145.9 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | 173 | 66.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 49 | M | 47.5 | Very low | 38.2 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 96% | 0.956 | 77% | 0.774 | S | S | * | * | trans | 40.4 | 77.2 | 155.6 | -163.5 | 168.4 | 79.7 | 0 | 0 | 118.5 | ||||
| 50 | L | 44.3 | Very low | 38.6 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -154.2 | 113.2 | 155.9 | -174.4 | 62.9 | 0 | 0 | 0 | 113.4 | ||||
| 51 | S | 36.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 175.9 | 61.6 | 148 | -79.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 52 | S | 38.3 | Very low | 39.7 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -86.3 | 146.5 | 159.4 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | T54 | S52-T54 PolarHBondContact O-N 3.11Š| ||
| 53 | L | 40.9 | Very low | 40.3 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -61.8 | 117.4 | 177.9 | -65.4 | 163.4 | 0 | 0 | 0 | 110 | ||||
| 54 | T | 37.3 | Very low | 40.9 | Very low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -93.4 | 110.6 | 159.4 | 47.4 | 0 | 0 | 0 | 0 | 108.2 | S52 E56 | S52-T54 PolarHBondContact O-N 3.11Å; T54-E56 PolarHBondContact O-N 3.14Å | ||
| 55 | E | 43 | Very low | 40.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -63.1 | 128.6 | 165.4 | -60.2 | -174.1 | 140.7 | 0 | 0 | 108.2 | H57 | E55-H57 PolarHBondContact O-N 3.33Š| ||
| 56 | E | 36.6 | Very low | 41.6 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -71.2 | 72.5 | -179.4 | -66.1 | -82.3 | 146.6 | 0 | 0 | 110.2 | T54 D58 | T54-E56 PolarHBondContact O-N 3.14Å; E56-D58 PolarHBondContact O-N 3.41Å; E56-D58 VanDerWaalsContact O-N 3.09Å | ||
| 57 | H | 43.2 | Very low | 41.7 | Very low | 149 Ų | 149 | 152 Ų | 152 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -74.6 | 98.2 | 179.8 | -142 | -86.6 | 0 | 0 | 0 | 108.2 | E55 S59 | E55-H57 PolarHBondContact O-N 3.33Å; H57-S59 PolarHBondContact ND1-OG 3.09Å; H57-S59 PolarHBondContact O-N 3.16Å | ||
| 58 | D | 40.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | trans | -68.9 | 55.9 | 176.3 | -171.1 | 32.7 | 0 | 0 | 0 | 110.8 | E56 I60 R92 | E56-D58 PolarHBondContact O-N 3.41Å; E56-D58 VanDerWaalsContact O-N 3.09Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.13Å; D58-R92 IonicContact OD2-CZ 2.78Å; D58-R92 IonicContact OD2-NH1 3.51Å; D58-R92 PolarHBondContact OD2-NH1 2.93Å; D58-R92 IonicContact OD2-NH2 2.74Å; D58-R92 PolarHBondContact OD2-NH2 2.97Å | ||
| 59 | S | 43.2 | Very low | 42.8 | Very low | 77 Ų | 77 | 154.7 Ų | 154.7 | 54% | 0.538 | 79% | 0.788 | S | S | . | * | trans | -73.2 | 78.1 | 178.8 | -66.2 | 0 | 0 | 0 | 0 | 109.4 | H57 E61 | H57-S59 PolarHBondContact ND1-OG 3.09Å; H57-S59 PolarHBondContact O-N 3.16Å; S59-E61 PolarHBondContact O-N 3.25Å | ||
| 60 | I | 43.3 | Very low | 42.6 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 100.8 | 168.8 | -170.9 | 164.3 | 0 | 0 | 0 | 109.2 | D58 E62 | D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.13Å; I60-E62 PolarHBondContact O-N 3.16Å | ||
| 61 | E | 45.6 | Very low | 43 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 98 | 170.3 | -67.2 | 177.7 | 158.5 | 0 | 0 | 107.7 | S59 E63 | S59-E61 PolarHBondContact O-N 3.25Å; E61-E63 PolarHBondContact O-N 2.86Å | ||
| 62 | E | 44.3 | Very low | 44.1 | Very low | 129 Ų | 129 | 151 Ų | 151 | 60% | 0.603 | 76% | 0.759 | S | S | * | * | trans | -78.3 | 89.4 | 170.9 | -69.2 | -178.6 | 132.8 | 0 | 0 | 107.8 | I60 E64 K85 | I60-E62 PolarHBondContact O-N 3.16Å; E62-E64 PolarHBondContact O-N 3.36Å; E62-K85 IonicContact OE2-NZ 2.66Å; E62-K85 PolarHBondContact OE2-NZ 3.24Å | ||
| 63 | E | 41 | Very low | 44.7 | Very low | 176 Ų | 176 | 151.5 Ų | 151.5 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -59.8 | 123 | 171.4 | -67.9 | -178 | 126.9 | 0 | 0 | 110.1 | E61 E65 | E61-E63 PolarHBondContact O-N 2.86Å; E63-E65 PolarHBondContact O-N 3Å; E63-E65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | E | 47.3 | Very low | 45.6 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -86.1 | 78.5 | -179.4 | -67.1 | -168.5 | 140 | 0 | 0 | 111.1 | E62 E66 | E62-E64 PolarHBondContact O-N 3.36Å; E64-E66 PolarHBondContact O-N 3.24Å | ||
| 65 | E | 39.8 | Very low | 46.8 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 98.9 | 166.5 | -71 | -170.4 | 144.2 | 0 | 0 | 110.9 | E63 E67 | E63-E65 PolarHBondContact O-N 3Å; E63-E65 VanDerWaalsContact O-N 3.16Å; E65-E67 VanDerWaalsContact C-N 3.32Å; E65-E67 PolarHBondContact O-N 2.88Å; E65-E67 VanDerWaalsContact O-N 3.07Å | ||
| 66 | E | 47.2 | Very low | 47.7 | Very low | 198 Ų | 198 | 162.5 Ų | 162.5 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | -75 | 79.5 | 164.7 | -70.2 | -157.1 | 138.3 | 0 | 0 | 111 | E64 | E64-E66 PolarHBondContact O-N 3.24Š| ||
| 67 | E | 44.5 | Very low | 49.6 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 142.4 | 171.5 | -89.6 | -86.9 | 118.2 | 0 | 0 | 112.7 | E65 | E65-E67 VanDerWaalsContact C-N 3.32Å; E65-E67 PolarHBondContact O-N 2.88Å; E65-E67 VanDerWaalsContact O-N 3.07Å |
| 68 | E | 48.9 | Very low | 51 | Low | 190 Ų | 190 | 155.4 Ų | 155.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 169.3 | -161.9 | -152.7 | 177.4 | 145.2 | 0 | 0 | 115.3 | ||
| 69 | D | 45.9 | Very low | 52.4 | Low | 151 Ų | 151 | 159.4 Ų | 159.4 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.1 | -178.2 | -168.8 | 20.9 | 0 | 0 | 0 | 113.1 | ||
| 70 | G | 43.8 | Very low | 53.8 | Low | 46 Ų | 46 | 165.6 Ų | 165.6 | 47% | 0.474 | 80% | 0.796 | S | S | . | * | trans | -159.9 | 84.2 | -173 | 0 | 0 | 0 | 0 | 0 | 111.5 | K72 | G70-K72 PolarHBondContact O-N 3.08Å; G70-K72 VanDerWaalsContact O-N 3.07Å | ||
| 71 | E | 53.2 | Low | 55.5 | Low | 174 Ų | 174 | 168.7 Ų | 168.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -51.3 | 112.5 | -175.7 | -73.8 | -144.3 | 112.6 | 0 | 0 | 113.1 | ||||
| 72 | K | 57.7 | Low | 57.2 | Low | 183 Ų | 183 | 170.4 Ų | 170.4 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | trans | -122.3 | 136.4 | 173.3 | -73.2 | 166.2 | -171.8 | 163.1 | 0 | 110.1 | G70 K74 | G70-K72 PolarHBondContact O-N 3.08Å; G70-K72 VanDerWaalsContact O-N 3.07Å; K72-K74 PolarHBondContact O-N 3.35Å | ||
| 73 | P | 52.2 | Low | 59.1 | Low | 120 Ų | 120 | 168.3 Ų | 168.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -62.3 | 132 | -163.7 | 20.8 | -32.6 | 0 | 0 | 0 | 113.2 | R75 | P73-R75 VanDerWaalsContact C-N 3.34Å; P73-R75 PolarHBondContact O-N 3.11Å | ||
| 74 | K | 60.3 | Low | 61.6 | Low | 187 Ų | 187 | 165 Ų | 165 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -69.3 | 79.7 | -172.1 | -68.2 | 160.3 | -177.1 | 155.7 | 0 | 111.8 | K72 R76 | K72-K74 PolarHBondContact O-N 3.35Å; K74-R76 PolarHBondContact O-N 3.38Å; K74-R76 VanDerWaalsContact O-N 3.13Å | ||
| 75 | R | 61.7 | Low | 63.8 | Low | 238 Ų | 238 | 163.2 Ų | 163.2 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -53.2 | 117 | 174.7 | -66.2 | -173.3 | 75 | 175.4 | 4.5 | 110 | P73 G77 | P73-R75 VanDerWaalsContact C-N 3.34Å; P73-R75 PolarHBondContact O-N 3.11Å; R75-G77 PolarHBondContact O-N 3.4Å | ||
| 76 | R | 62 | Low | 66.4 | Low | 258 Ų | 258 | 158.1 Ų | 158.1 | 97% | 0.974 | 77% | 0.769 | S | S | * | * | trans | -73.2 | 106.2 | -177.6 | -68.6 | -177.5 | 177.3 | -175.8 | -1 | 110.7 | K74 | K74-R76 PolarHBondContact O-N 3.38Å; K74-R76 VanDerWaalsContact O-N 3.13Å | ||
| 77 | G | 75.9 | Confident | 68.7 | Low | 51 Ų | 51 | 156.7 Ų | 156.7 | 53% | 0.526 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -171 | 162.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | R75 K79 | R75-G77 PolarHBondContact O-N 3.4Å; G77-K79 PolarHBondContact O-N 3.25Å |
| 78 | P | 73.9 | Confident | 71.1 | Confident | 133 Ų | 133 | 153 Ų | 153 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -59.7 | 109 | 179.9 | -24.3 | 35 | 0 | 0 | 0 | 111.3 | K80 | P78-K80 PolarHBondContact O-N 2.69Å; P78-K80 VanDerWaalsContact O-N 3.08Å | ||
| 79 | K | 70 | Confident | 73.3 | Confident | 198 Ų | 198 | 150.2 Ų | 150.2 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | -56.7 | 117.2 | 175.6 | -81.9 | -169 | 174.5 | -173.1 | 0 | 108.9 | G77 K81 | G77-K79 PolarHBondContact O-N 3.25Å; K79-K81 PolarHBondContact O-N 2.91Å | ||
| 80 | K | 70.9 | Confident | 75.7 | Confident | 207 Ų | 207 | 151.1 Ų | 151.1 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | trans | -59.6 | 101.1 | 169.3 | -66.5 | -177 | -179.2 | 179 | 0 | 108 | P78 K82 | P78-K80 PolarHBondContact O-N 2.69Å; P78-K80 VanDerWaalsContact O-N 3.08Å; K80-K82 PolarHBondContact O-N 3.3Å | ||
| 81 | K | 79.2 | Confident | 78.2 | Confident | 195 Ų | 195 | 154.8 Ų | 154.8 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 123.2 | 176.8 | -69.3 | -172.9 | 176.2 | -175.2 | 0 | 108.5 | K79 M83 | K79-K81 PolarHBondContact O-N 2.91Å; K81-M83 PolarHBondContact O-N 3.08Å |
| 82 | K | 81.7 | Confident | 80.3 | Confident | 211 Ų | 211 | 153.1 Ų | 153.1 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -52 | 138.1 | 169.4 | -68.7 | -173.3 | 177.8 | -175.7 | 0 | 108 | K80 | K80-K82 PolarHBondContact O-N 3.3Š|
| 83 | M | 85 | Confident | 82.3 | Confident | 85 Ų | 85 | 147.3 Ų | 147.3 | 42% | 0.419 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -77.7 | 136.3 | 176.7 | -64.6 | -150.3 | -54.5 | 0 | 0 | 110.2 | K81 R87 L88 | K81-M83 PolarHBondContact O-N 3.08Å; M83-R87 HydrophobicContact CB-CB 4.5Å; M83-R87 HydrophobicContact CB-CG 4.49Å; M83-R87 HydrophobicContact CE-CG 4.4Å; M83-R87 HydrophobicContact SD-CG 3.85Å; M83-R87 PolarHBondContact SD-NE 3.2Å; M83-L88 HydrophobicContact CE-CD1 4.3Å |
| 84 | T | 93.4 | Very high | 84.4 | Confident | 106 Ų | 106 | 149.1 Ų | 149.1 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 145.5 | 172.7 | -38.1 | 0 | 0 | 0 | 0 | 111.4 | A86 R87 L88 | T84-A86 VanDerWaalsContact C-N 3.34Å; T84-A86 PolarHBondContact O-N 2.94Å; T84-R87 WeakPolarHBondContact O-CA 3.44Å; T84-R87 WeakPolarHBondContact O-CB 3.32Å; T84-R87 PolarHBondContact O-N 3.31Å; T84-L88 PolarHBondContact O-N 2.8Å |
| 85 | K | 93.6 | Very high | 86.3 | Confident | 151 Ų | 151 | 147.1 Ų | 147.1 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -47.7 | -51.1 | -179.3 | -162.3 | 155.5 | 180 | 161 | 0 | 112.1 | E62 R87 L88 E89 | E62-K85 IonicContact OE2-NZ 2.66Å; E62-K85 PolarHBondContact OE2-NZ 3.24Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 2.97Å; K85-L88 WeakPolarHBondContact O-CB 3.47Å; K85-L88 PolarHBondContact O-N 3.28Å; K85-L88 VanDerWaalsContact O-N 3.09Å; K85-E89 WeakPolarHBondContact O-CB 3.33Å; K85-E89 PolarHBondContact O-N 3.01Å |
| 86 | A | 94.1 | Very high | 88 | Confident | 63 Ų | 63 | 140 Ų | 140 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.5 | -28.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T84 R90 | T84-A86 VanDerWaalsContact C-N 3.34Å; T84-A86 PolarHBondContact O-N 2.94Å; A86-R90 WeakPolarHBondContact O-CB 3.45Å; A86-R90 PolarHBondContact O-N 3.04Å |
| 87 | R | 94.1 | Very high | 89.8 | Confident | 168 Ų | 168 | 134.4 Ų | 134.4 | 63% | 0.634 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.6 | -36.1 | 175.3 | -176.7 | 176.9 | 173.4 | 178.2 | -3.1 | 111.4 | M83 T84 K85 F91 | M83-R87 HydrophobicContact CB-CB 4.5Å; M83-R87 HydrophobicContact CB-CG 4.49Å; M83-R87 HydrophobicContact CE-CG 4.4Å; M83-R87 HydrophobicContact SD-CG 3.85Å; M83-R87 PolarHBondContact SD-NE 3.2Å; T84-R87 WeakPolarHBondContact O-CA 3.44Å; T84-R87 WeakPolarHBondContact O-CB 3.32Å; T84-R87 PolarHBondContact O-N 3.31Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 2.97Å; R87-F91 PolarHBondContact O-N 3.43Å |
| 88 | L | 95 | Very high | 90.8 | Very high | 98 Ų | 98 | 134.5 Ų | 134.5 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.3 | -43.6 | 172.9 | -179.7 | 61.8 | 0 | 0 | 0 | 111 | M83 T84 K85 F91 R92 | M83-L88 HydrophobicContact CE-CD1 4.3Å; T84-L88 PolarHBondContact O-N 2.8Å; K85-L88 WeakPolarHBondContact O-CB 3.47Å; K85-L88 PolarHBondContact O-N 3.28Å; K85-L88 VanDerWaalsContact O-N 3.09Å; L88-F91 CarbonylContact O-C 3.57Å; L88-F91 WeakPolarHBondContact O-CA 3.36Å; L88-F91 WeakPolarHBondContact O-CB 3.31Å; L88-F91 PolarHBondContact O-N 3.1Å; L88-F91 VanDerWaalsContact O-N 3.12Å; L88-R92 PolarHBondContact O-N 3.03Å |
| 89 | E | 96.3 | Very high | 92 | Very high | 132 Ų | 132 | 132.3 Ų | 132.3 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.6 | -50.4 | 174.5 | -171.6 | -166.8 | 168.7 | 0 | 0 | 111.9 | K85 F91 R92 A93 | K85-E89 WeakPolarHBondContact O-CB 3.33Å; K85-E89 PolarHBondContact O-N 3.01Å; E89-F91 PolarHBondContact O-N 3.37Å; E89-F91 VanDerWaalsContact O-N 3.11Å; E89-R92 PolarHBondContact O-N 2.96Å; E89-A93 WeakPolarHBondContact O-CB 3.43Å; E89-A93 PolarHBondContact O-N 3.33Å |
| 90 | R | 96.4 | Very high | 93.4 | Very high | 169 Ų | 169 | 125.2 Ų | 125.2 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.4 | -28.8 | 174.6 | -167.1 | 179.5 | -169.6 | -160.1 | 5.1 | 112.4 | A86 R94 | A86-R90 WeakPolarHBondContact O-CB 3.45Å; A86-R90 PolarHBondContact O-N 3.04Å; R90-R94 WeakPolarHBondContact O-CB 3.27Å; R90-R94 WeakPolarHBondContact O-CD 3.44Å; R90-R94 WeakPolarHBondContact O-CG 3.17Å; R90-R94 PolarHBondContact O-N 2.88Å |
| 91 | F | 96.7 | Very high | 94.7 | Very high | 123 Ų | 123 | 123.8 Ų | 123.8 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -76.4 | -44.8 | 172.2 | 179.6 | -96.1 | 0 | 0 | 0 | 112.3 | R87 L88 E89 A93 R94 R95 | R87-F91 PolarHBondContact O-N 3.43Å; L88-F91 CarbonylContact O-C 3.57Å; L88-F91 WeakPolarHBondContact O-CA 3.36Å; L88-F91 WeakPolarHBondContact O-CB 3.31Å; L88-F91 PolarHBondContact O-N 3.1Å; L88-F91 VanDerWaalsContact O-N 3.12Å; E89-F91 PolarHBondContact O-N 3.37Å; E89-F91 VanDerWaalsContact O-N 3.11Å; F91-A93 PolarHBondContact O-N 2.74Å; F91-R94 PolarHBondContact O-N 3.23Å; F91-R95 PolarHBondContact O-N 3.19Å |
| 92 | R | 97.4 | Very high | 95.6 | Very high | 140 Ų | 140 | 118.5 Ų | 118.5 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.9 | -47.7 | 174.1 | -173.5 | 169.6 | 172.7 | 157 | -3.9 | 110.6 | D58 L88 E89 R94 R95 V96 | D58-R92 IonicContact OD2-CZ 2.78Å; D58-R92 IonicContact OD2-NH1 3.51Å; D58-R92 PolarHBondContact OD2-NH1 2.93Å; D58-R92 IonicContact OD2-NH2 2.74Å; D58-R92 PolarHBondContact OD2-NH2 2.97Å; L88-R92 PolarHBondContact O-N 3.03Å; E89-R92 PolarHBondContact O-N 2.96Å; R92-R94 PolarHBondContact O-N 3.23Å; R92-R95 PolarHBondContact O-N 3.4Å; R92-V96 WeakPolarHBondContact O-CG2 3.31Å; R92-V96 PolarHBondContact O-N 2.92Å |
| 93 | A | 97.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 117 Ų | 117 | 50% | 0.504 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.9 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E89 F91 V96 K97 | E89-A93 WeakPolarHBondContact O-CB 3.43Å; E89-A93 PolarHBondContact O-N 3.33Å; F91-A93 PolarHBondContact O-N 2.74Å; A93-V96 PolarHBondContact O-N 3.42Å; A93-K97 WeakPolarHBondContact O-CB 3.28Å; A93-K97 PolarHBondContact O-N 2.93Å |
| 94 | R | 98.4 | Very high | 97.1 | Very high | 158 Ų | 158 | 117.8 Ų | 117.8 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.9 | -43.5 | 173.5 | -79.1 | 170.9 | 173 | -164.8 | -4.1 | 111.9 | R90 F91 R92 K97 A98 | R90-R94 WeakPolarHBondContact O-CB 3.27Å; R90-R94 WeakPolarHBondContact O-CD 3.44Å; R90-R94 WeakPolarHBondContact O-CG 3.17Å; R90-R94 PolarHBondContact O-N 2.88Å; F91-R94 PolarHBondContact O-N 3.23Å; R92-R94 PolarHBondContact O-N 3.23Å; R94-K97 PolarHBondContact O-N 2.89Å; R94-A98 WeakPolarHBondContact O-CB 3.42Å; R94-A98 PolarHBondContact O-N 2.92Å |
| 95 | R | 98.6 | Very high | 97.4 | Very high | 145 Ų | 145 | 119.9 Ų | 119.9 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.4 | -44.4 | 177.3 | -170.2 | 177.1 | 71.5 | 157.4 | 1.2 | 111.6 | F91 R92 A98 N99 | F91-R95 PolarHBondContact O-N 3.19Å; R92-R95 PolarHBondContact O-N 3.4Å; R95-A98 PolarHBondContact O-N 3.15Å; R95-N99 WeakPolarHBondContact O-CB 3.49Å; R95-N99 PolarHBondContact O-N 3.47Å; R95-N99 PolarHBondContact O-OD1 3.29Å |
| 96 | V | 98.4 | Very high | 97.6 | Very high | 88 Ų | 88 | 115.6 Ų | 115.6 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | R92 A93 A98 N99 A100 | R92-V96 WeakPolarHBondContact O-CG2 3.31Å; R92-V96 PolarHBondContact O-N 2.92Å; A93-V96 PolarHBondContact O-N 3.42Å; V96-A98 VanDerWaalsContact C-N 3.31Å; V96-A98 PolarHBondContact O-N 3.04Å; V96-N99 PolarHBondContact O-N 3.08Å; V96-A100 WeakPolarHBondContact O-CB 3.25Å; V96-A100 PolarHBondContact O-N 2.81Å |
| 97 | K | 98.5 | Very high | 97.8 | Very high | 140 Ų | 140 | 118 Ų | 118 | 61% | 0.609 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.5 | -33 | 177.8 | -172 | 167.4 | -176.4 | 167.5 | 0 | 113.3 | A93 R94 R101 | A93-K97 WeakPolarHBondContact O-CB 3.28Å; A93-K97 PolarHBondContact O-N 2.93Å; R94-K97 PolarHBondContact O-N 2.89Å; K97-R101 WeakPolarHBondContact O-CG 3.48Å; K97-R101 PolarHBondContact O-N 3.18Å |
| 98 | A | 98.6 | Very high | 98 | Very high | 54 Ų | 54 | 112 Ų | 112 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.2 | -48.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R94 R95 V96 A100 R101 E102 | R94-A98 WeakPolarHBondContact O-CB 3.42Å; R94-A98 PolarHBondContact O-N 2.92Å; R95-A98 PolarHBondContact O-N 3.15Å; V96-A98 VanDerWaalsContact C-N 3.31Å; V96-A98 PolarHBondContact O-N 3.04Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 2.99Å; A98-R101 WeakPolarHBondContact O-CB 3.4Å; A98-R101 PolarHBondContact O-N 2.99Å; A98-R101 VanDerWaalsContact O-N 3.11Å; A98-E102 PolarHBondContact O-N 3.16Å |
| 99 | N | 98.8 | Very high | 98.2 | Very high | 87 Ų | 87 | 111.7 Ų | 111.7 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 178.8 | -70 | 8.1 | 0 | 0 | 0 | 112.2 | R95 V96 E102 R103 | R95-N99 WeakPolarHBondContact O-CB 3.49Å; R95-N99 PolarHBondContact O-N 3.47Å; R95-N99 PolarHBondContact O-OD1 3.29Å; V96-N99 PolarHBondContact O-N 3.08Å; N99-E102 PolarHBondContact O-N 3.48Å; N99-R103 WeakPolarHBondContact O-CG 3.22Å; N99-R103 PolarHBondContact O-N 3.14Å |
| 100 | A | 98.7 | Very high | 98.3 | Very high | 49 Ų | 49 | 108 Ų | 108 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V96 A98 R103 T104 | V96-A100 WeakPolarHBondContact O-CB 3.25Å; V96-A100 PolarHBondContact O-N 2.81Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 2.99Å; A100-R103 WeakPolarHBondContact O-CB 3.36Å; A100-R103 PolarHBondContact O-N 3.16Å; A100-T104 PolarHBondContact O-N 3.32Å; A100-T104 PolarHBondContact O-OG1 3.42Å; A100-T104 VanDerWaalsContact O-OG1 3.14Å |
| 101 | R | 98.8 | Very high | 98.4 | Very high | 176 Ų | 176 | 104 Ų | 104 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 177.7 | -73.5 | 174.2 | 168.8 | -137 | -11.1 | 112.8 | K97 A98 T104 R105 | K97-R101 WeakPolarHBondContact O-CG 3.48Å; K97-R101 PolarHBondContact O-N 3.18Å; A98-R101 WeakPolarHBondContact O-CB 3.4Å; A98-R101 PolarHBondContact O-N 2.99Å; A98-R101 VanDerWaalsContact O-N 3.11Å; R101-T104 PolarHBondContact O-N 3.41Å; R101-R105 PolarHBondContact O-N 3.19Å |
| 102 | E | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 176.9 | 178.2 | 57.8 | -173.2 | 0 | 0 | 111.8 | A98 N99 R105 M106 | A98-E102 PolarHBondContact O-N 3.16Å; N99-E102 PolarHBondContact O-N 3.48Å; E102-R105 PolarHBondContact O-N 2.83Å; E102-R105 IonicContact OE1-NH1 3.91Å; E102-R105 PolarHBondContact OE1-NH1 2.96Å; E102-R105 WeakPolarHBondContact OE2-CD 3.48Å; E102-R105 IonicContact OE2-CZ 3.94Å; E102-R105 IonicContact OE2-NH1 3.83Å; E102-R105 PolarHBondContact OE2-NH1 3.49Å; E102-M106 HydrophobicContact CG-CG 4.46Å; E102-M106 WeakPolarHBondContact O-CB 3.44Å; E102-M106 VanDerWaalsContact O-CG 3.31Å; E102-M106 WeakPolarHBondContact O-CG 3.44Å; E102-M106 PolarHBondContact O-N 3.43Å; E102-M106 WeakPolarHBondContact OE1-CG 3.45Å |
| 103 | R | 98.8 | Very high | 98.6 | Very high | 178 Ų | 178 | 95 Ų | 95 | 67% | 0.672 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.4 | -51.8 | 168.5 | -73.2 | 173.6 | 179.2 | 176.2 | -2.4 | 110.9 | N99 A100 R105 M106 H107 | N99-R103 WeakPolarHBondContact O-CG 3.22Å; N99-R103 PolarHBondContact O-N 3.14Å; A100-R103 WeakPolarHBondContact O-CB 3.36Å; A100-R103 PolarHBondContact O-N 3.16Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-R105 PolarHBondContact O-N 3.3Å; R103-M106 CarbonylContact O-C 3.55Å; R103-M106 PolarHBondContact O-N 3.32Å; R103-M106 VanDerWaalsContact O-N 3.08Å; R103-H107 PolarHBondContact O-CD2 3.47Å; R103-H107 PolarHBondContact O-N 3.44Å |
| 104 | T | 98.7 | Very high | 98.5 | Very high | 102 Ų | 102 | 94 Ų | 94 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.5 | -43.8 | 177.6 | -51.5 | 0 | 0 | 0 | 0 | 112.5 | A100 R101 M106 H107 G108 | A100-T104 PolarHBondContact O-N 3.32Å; A100-T104 PolarHBondContact O-OG1 3.42Å; A100-T104 VanDerWaalsContact O-OG1 3.14Å; R101-T104 PolarHBondContact O-N 3.41Å; T104-M106 PolarHBondContact O-N 3.13Å; T104-H107 PolarHBondContact O-N 2.98Å; T104-G108 PolarHBondContact O-N 3.37Å |
| 105 | R | 98.8 | Very high | 98.5 | Very high | 151 Ų | 151 | 90.2 Ų | 90.2 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 174.8 | 174.6 | 174.3 | 161.3 | -81.7 | -9.9 | 112.1 | R101 E102 R103 L109 | R101-R105 PolarHBondContact O-N 3.19Å; E102-R105 PolarHBondContact O-N 2.83Å; E102-R105 IonicContact OE1-NH1 3.91Å; E102-R105 PolarHBondContact OE1-NH1 2.96Å; E102-R105 WeakPolarHBondContact OE2-CD 3.48Å; E102-R105 IonicContact OE2-CZ 3.94Å; E102-R105 IonicContact OE2-NH1 3.83Å; E102-R105 PolarHBondContact OE2-NH1 3.49Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-R105 PolarHBondContact O-N 3.3Å; R105-L109 PolarHBondContact O-N 3.32Å; R105-L109 VanDerWaalsContact O-N 3.15Å |
| 106 | M | 98.8 | Very high | 98.5 | Very high | 61 Ų | 61 | 86 Ų | 86 | 30% | 0.3 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.2 | -28.6 | 178.9 | -73.1 | -61.1 | -57.5 | 0 | 0 | 113.5 | E102 R103 T104 L109 N110 | E102-M106 HydrophobicContact CG-CG 4.46Å; E102-M106 WeakPolarHBondContact O-CB 3.44Å; E102-M106 VanDerWaalsContact O-CG 3.31Å; E102-M106 WeakPolarHBondContact O-CG 3.44Å; E102-M106 PolarHBondContact O-N 3.43Å; E102-M106 WeakPolarHBondContact OE1-CG 3.45Å; R103-M106 CarbonylContact O-C 3.55Å; R103-M106 PolarHBondContact O-N 3.32Å; R103-M106 VanDerWaalsContact O-N 3.08Å; T104-M106 PolarHBondContact O-N 3.13Å; M106-L109 HydrophobicContact CE-CD2 4.18Å; M106-L109 HydrophobicContact SD-CD2 3.99Å; M106-N110 PolarHBondContact O-N 3.24Å; M106-N110 PolarHBondContact O-ND2 3.47Å |
| 107 | H | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 83.1 Ų | 83.1 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.9 | -57.8 | 168.4 | -73.1 | -68.5 | 0 | 0 | 0 | 110.2 | R103 T104 L109 N110 D111 | R103-H107 PolarHBondContact O-CD2 3.47Å; R103-H107 PolarHBondContact O-N 3.44Å; T104-H107 PolarHBondContact O-N 2.98Å; H107-L109 PolarHBondContact O-N 3.45Å; H107-L109 VanDerWaalsContact O-N 3.1Å; H107-N110 CarbonylContact O-C 3.58Å; H107-N110 WeakPolarHBondContact O-CA 3.48Å; H107-N110 WeakPolarHBondContact O-CB 3.46Å; H107-N110 PolarHBondContact O-N 3.4Å; H107-D111 VanDerWaalsContact C-OD2 3.3Å; H107-D111 PolarHBondContact O-N 2.85Å; H107-D111 VanDerWaalsContact O-OD2 3.12Å |
| 108 | G | 98.5 | Very high | 98.4 | Very high | 40 Ų | 40 | 83.8 Ų | 83.8 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.5 | -32.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T104 A112 | T104-G108 PolarHBondContact O-N 3.37Å; G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 3.14Å |
| 109 | L | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 85.7 Ų | 85.7 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 172.3 | 179.2 | 61.1 | 0 | 0 | 0 | 113.2 | R105 M106 H107 L113 | R105-L109 PolarHBondContact O-N 3.32Å; R105-L109 VanDerWaalsContact O-N 3.15Å; M106-L109 HydrophobicContact CE-CD2 4.18Å; M106-L109 HydrophobicContact SD-CD2 3.99Å; H107-L109 PolarHBondContact O-N 3.45Å; H107-L109 VanDerWaalsContact O-N 3.1Å; L109-L113 WeakPolarHBondContact O-CB 3.29Å; L109-L113 PolarHBondContact O-N 3.32Å; L109-L113 VanDerWaalsContact O-N 3.13Å |
| 110 | N | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 82.3 Ų | 82.3 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 174.5 | -69.2 | -36 | 0 | 0 | 0 | 111.2 | M106 H107 L113 D114 K131 | M106-N110 PolarHBondContact O-N 3.24Å; M106-N110 PolarHBondContact O-ND2 3.47Å; H107-N110 CarbonylContact O-C 3.58Å; H107-N110 WeakPolarHBondContact O-CA 3.48Å; H107-N110 WeakPolarHBondContact O-CB 3.46Å; H107-N110 PolarHBondContact O-N 3.4Å; N110-L113 WeakPolarHBondContact O-CB 3.5Å; N110-L113 PolarHBondContact O-N 2.96Å; N110-D114 PolarHBondContact O-N 3.22Å; N110-K131 PolarHBondContact OD1-NZ 3.32Å |
| 111 | D | 98.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 81.3 Ų | 81.3 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 177.1 | -55.6 | -31.6 | 0 | 0 | 0 | 110.6 | H107 L113 D114 N115 | H107-D111 VanDerWaalsContact C-OD2 3.3Å; H107-D111 PolarHBondContact O-N 2.85Å; H107-D111 VanDerWaalsContact O-OD2 3.12Å; D111-L113 VanDerWaalsContact C-N 3.3Å; D111-L113 PolarHBondContact O-N 3.34Å; D111-D114 PolarHBondContact O-N 3.24Å; D111-N115 PolarHBondContact O-N 3.5Å; D111-N115 PolarHBondContact O-ND2 2.96Å; D111-N115 PolarHBondContact O-OD1 3.07Å |
| 112 | A | 98.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 73.1 Ų | 73.1 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G108 N115 L116 | G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 3.14Å; A112-N115 WeakPolarHBondContact O-CB 3.48Å; A112-N115 PolarHBondContact O-N 3.26Å; A112-L116 PolarHBondContact O-N 3.35Å |
| 113 | L | 98.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71 | -36.3 | 175.4 | -176.1 | 65.4 | 0 | 0 | 0 | 112.5 | L109 N110 D111 L116 R117 K131 T134 | L109-L113 WeakPolarHBondContact O-CB 3.29Å; L109-L113 PolarHBondContact O-N 3.32Å; L109-L113 VanDerWaalsContact O-N 3.13Å; N110-L113 WeakPolarHBondContact O-CB 3.5Å; N110-L113 PolarHBondContact O-N 2.96Å; D111-L113 VanDerWaalsContact C-N 3.3Å; D111-L113 PolarHBondContact O-N 3.34Å; L113-L116 HydrophobicContact CD1-CD2 4.34Å; L113-L116 WeakPolarHBondContact O-CB 3.49Å; L113-L116 PolarHBondContact O-N 3.48Å; L113-R117 WeakPolarHBondContact O-CG 3.24Å; L113-R117 PolarHBondContact O-N 3.34Å; L113-K131 HydrophobicContact CD2-CB 4.14Å; L113-K131 HydrophobicContact CD2-CD 3.85Å; L113-K131 HydrophobicContact CD2-CG 3.66Å; L113-T134 HydrophobicContact CD1-CG2 3.8Å |
| 114 | D | 97.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 171.9 | -86.1 | -28.7 | 0 | 0 | 0 | 112 | N110 D111 R117 R118 K128 | N110-D114 PolarHBondContact O-N 3.22Å; D111-D114 PolarHBondContact O-N 3.24Å; D114-R117 WeakPolarHBondContact O-CB 3.47Å; D114-R117 PolarHBondContact O-N 2.9Å; D114-R117 WeakPolarHBondContact OD1-CD 3.45Å; D114-R117 IonicContact OD1-CZ 3.66Å; D114-R117 IonicContact OD1-NE 2.63Å; D114-R117 IonicContact OD1-NH1 2.7Å; D114-R117 PolarHBondContact OD1-NH1 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.33Å; D114-R118 PolarHBondContact O-N 3.24Å; D114-K128 WeakPolarHBondContact OD1-CD 3.3Å; D114-K128 WeakPolarHBondContact OD1-CE 3.43Å; D114-K128 IonicContact OD1-NZ 3.17Å; D114-K128 PolarHBondContact OD1-NZ 3.13Å; D114-K128 IonicContact OD2-NZ 2.66Å; D114-K128 PolarHBondContact OD2-NZ 2.93Å |
| 115 | N | 97.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 169.5 | -66.1 | -22.5 | 0 | 0 | 0 | 111.5 | D111 A112 R117 R118 | D111-N115 PolarHBondContact O-N 3.5Å; D111-N115 PolarHBondContact O-ND2 2.96Å; D111-N115 PolarHBondContact O-OD1 3.07Å; A112-N115 WeakPolarHBondContact O-CB 3.48Å; A112-N115 PolarHBondContact O-N 3.26Å; N115-R117 PolarHBondContact O-N 2.91Å; N115-R118 PolarHBondContact O-N 3.38Å; N115-R118 PolarHBondContact OD1-NH2 3.34Å |
| 116 | L | 98.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 172.8 | -177.4 | 62.4 | 0 | 0 | 0 | 111.7 | A112 L113 R118 V119 M120 T134 L135 A138 | A112-L116 PolarHBondContact O-N 3.35Å; L113-L116 HydrophobicContact CD1-CD2 4.34Å; L113-L116 WeakPolarHBondContact O-CB 3.49Å; L113-L116 PolarHBondContact O-N 3.48Å; L116-R118 VanDerWaalsContact C-N 3.29Å; L116-R118 PolarHBondContact O-N 3.17Å; L116-V119 HydrophobicContact CD1-CG2 4.29Å; L116-V119 VanDerWaalsContact O-CG2 3.22Å; L116-V119 WeakPolarHBondContact O-CG2 3.32Å; L116-V119 PolarHBondContact O-N 2.89Å; L116-M120 HydrophobicContact CD1-CE 3.8Å; L116-M120 HydrophobicContact CG-CE 4.25Å; L116-M120 WeakPolarHBondContact O-CG 3.24Å; L116-T134 HydrophobicContact CD2-CG2 4.07Å; L116-T134 HydrophobicContact CG-CG2 4.17Å; L116-L135 HydrophobicContact CD2-CD2 4.31Å; L116-A138 HydrophobicContact CD1-CB 4.09Å; L116-A138 HydrophobicContact CD2-CB 4.04Å; L116-A138 HydrophobicContact CG-CB 4.34Å |
| 117 | R | 97.5 | Very high | 94.8 | Very high | 29 Ų | 29 | 72.1 Ų | 72.1 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 175.2 | -72.2 | 178 | -176.5 | 112.1 | 0.6 | 112.8 | L113 D114 N115 V119 M120 Y123 L129 T134 | L113-R117 WeakPolarHBondContact O-CG 3.24Å; L113-R117 PolarHBondContact O-N 3.34Å; D114-R117 WeakPolarHBondContact O-CB 3.47Å; D114-R117 PolarHBondContact O-N 2.9Å; D114-R117 WeakPolarHBondContact OD1-CD 3.45Å; D114-R117 IonicContact OD1-CZ 3.66Å; D114-R117 IonicContact OD1-NE 2.63Å; D114-R117 IonicContact OD1-NH1 2.7Å; D114-R117 PolarHBondContact OD1-NH1 3.27Å; N115-R117 PolarHBondContact O-N 2.91Å; R117-V119 PolarHBondContact O-N 3.31Å; R117-M120 PolarHBondContact O-N 2.94Å; R117-Y123 HydrophobicContact CB-CD2 4.35Å; R117-Y123 WeakPolarHBondContact O-CB 3.49Å; R117-Y123 VanDerWaalsContact O-CD2 3.24Å; R117-Y123 WeakPolarHBondContact O-CD2 3.49Å; R117-L129 VanDerWaalsContact CZ-O 3.28Å; R117-L129 PolarHBondContact NE-O 3.42Å; R117-L129 PolarHBondContact NH2-O 3.09Å; R117-T134 HydrophobicContact CG-CG2 3.64Å; R117-T134 PolarHBondContact NE-OG1 3.5Å |
| 118 | R | 96.3 | Very high | 94.6 | Very high | 154 Ų | 154 | 72.4 Ų | 72.4 | 58% | 0.581 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.8 | -19.7 | -179.8 | -73.2 | -167.4 | -68.2 | 143.8 | -8 | 114.1 | D114 N115 L116 Y123 | D114-R118 WeakPolarHBondContact O-CG 3.33Å; D114-R118 PolarHBondContact O-N 3.24Å; N115-R118 PolarHBondContact O-N 3.38Å; N115-R118 PolarHBondContact OD1-NH2 3.34Å; L116-R118 VanDerWaalsContact C-N 3.29Å; L116-R118 PolarHBondContact O-N 3.17Å; R118-Y123 HydrophobicContact CG-CD2 4.42Å; R118-Y123 HydrophobicContact CG-CE1 4.33Å; R118-Y123 HydrophobicContact CG-CE2 3.9Å |
| 119 | V | 96.1 | Very high | 94.4 | Very high | 93 Ų | 93 | 71.3 Ų | 71.3 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 12.1 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | L116 R117 Y141 | L116-V119 HydrophobicContact CD1-CG2 4.29Å; L116-V119 VanDerWaalsContact O-CG2 3.22Å; L116-V119 WeakPolarHBondContact O-CG2 3.32Å; L116-V119 PolarHBondContact O-N 2.89Å; R117-V119 PolarHBondContact O-N 3.31Å; V119-Y141 WeakPolarHBondContact O-CE1 3.37Å |
| 120 | M | 95.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -83.1 | 146.2 | 174 | -65 | -64.8 | 94.1 | 0 | 0 | 111.6 | L116 R117 C122 Y123 L137 A138 Y141 | L116-M120 HydrophobicContact CD1-CE 3.8Å; L116-M120 HydrophobicContact CG-CE 4.25Å; L116-M120 WeakPolarHBondContact O-CG 3.24Å; R117-M120 PolarHBondContact O-N 2.94Å; M120-C122 PolarHBondContact O-N 3.34Å; M120-Y123 PolarHBondContact O-N 3.36Å; M120-L137 HydrophobicContact CB-CD2 3.97Å; M120-L137 HydrophobicContact CG-CD2 4.18Å; M120-L137 HydrophobicContact SD-CB 4.23Å; M120-L137 HydrophobicContact SD-CD2 4.06Å; M120-L137 HydrophobicContact SD-CG 3.9Å; M120-A138 HydrophobicContact CE-CB 3.87Å; M120-A138 HydrophobicContact SD-CB 3.93Å; M120-Y141 HydrophobicContact CE-CD1 4.25Å |
| 121 | P | 90.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 72 Ų | 72 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 3.2 | -177.6 | 27.8 | -35.9 | 0 | 0 | 0 | 115.1 | L137 Y141 L164 L180 | P121-L137 HydrophobicContact CG-CD1 4.34Å; P121-Y141 HydrophobicContact CG-CD1 4.45Å; P121-Y141 HydrophobicContact CG-CD2 4.32Å; P121-Y141 HydrophobicContact CG-CE2 4.48Å; P121-Y141 HydrophobicContact CG-CG 4.3Å; P121-L164 HydrophobicContact CB-CD1 4.39Å; P121-L164 HydrophobicContact CG-CD1 3.87Å; P121-L164 HydrophobicContact CG-CD2 4.24Å; P121-L180 HydrophobicContact CB-CD1 4.39Å; P121-L180 HydrophobicContact CB-CD2 4.25Å |
| 122 | C | 87.8 | Confident | 94.4 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.4 | 36 | 175.8 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | M120 S124 L137 L175 V176 C179 | M120-C122 PolarHBondContact O-N 3.34Å; C122-S124 PolarHBondContact O-N 3.47Å; C122-L137 VanDerWaalsContact SG-CD2 3.53Å; C122-L175 HydrophobicContact CB-CG 4.36Å; C122-V176 HydrophobicContact CB-CG2 4.07Å; C122-C179 HydrophobicContact CB-CB 3.82Å |
| 123 | Y | 90.7 | Very high | 94.4 | Very high | 99 Ų | 99 | 70 Ų | 70 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | trans | -61.9 | 121 | -178.8 | 174.9 | -113.8 | 0 | 0 | 0 | 112.4 | R117 R118 M120 K125 | R117-Y123 HydrophobicContact CB-CD2 4.35Å; R117-Y123 WeakPolarHBondContact O-CB 3.49Å; R117-Y123 VanDerWaalsContact O-CD2 3.24Å; R117-Y123 WeakPolarHBondContact O-CD2 3.49Å; R118-Y123 HydrophobicContact CG-CD2 4.42Å; R118-Y123 HydrophobicContact CG-CE1 4.33Å; R118-Y123 HydrophobicContact CG-CE2 3.9Å; M120-Y123 PolarHBondContact O-N 3.36Å; Y123-K125 HydrophobicContact CE1-CG 3.95Å | ||
| 124 | S | 88.1 | Confident | 94.3 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -115.2 | 137.5 | 170.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | C122 T126 Q127 | C122-S124 PolarHBondContact O-N 3.47Å; S124-T126 PolarHBondContact OG-N 2.99Å; S124-T126 PolarHBondContact OG-OG1 3.1Å; S124-Q127 PolarHBondContact OG-N 3.15Å; S124-Q127 VanDerWaalsContact OG-N 3.09Å | ||
| 125 | K | 86 | Confident | 94.4 | Very high | 181 Ų | 181 | 72 Ų | 72 | 79% | 0.787 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -71.3 | -31.2 | 174 | -67.2 | 179.1 | -179.9 | 176.2 | 0 | 112.2 | Y123 | Y123-K125 HydrophobicContact CE1-CG 3.95Š|
| 126 | T | 87.9 | Confident | 94.4 | Very high | 137 Ų | 137 | 73.3 Ų | 73.3 | 84% | 0.84 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -94.9 | -32.1 | -175.9 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | S124 | S124-T126 PolarHBondContact OG-N 2.99Å; S124-T126 PolarHBondContact OG-OG1 3.1Å |
| 127 | Q | 90.3 | Very high | 94.4 | Very high | 111 Ų | 111 | 70.7 Ų | 70.7 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -117.3 | 97.8 | -177 | -170.5 | 178.9 | 7.8 | 0 | 0 | 111.2 | S124 | S124-Q127 PolarHBondContact OG-N 3.15Å; S124-Q127 VanDerWaalsContact OG-N 3.09Å | ||
| 128 | K | 94.5 | Very high | 94.5 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 129.4 | 174.8 | -68.3 | -175.4 | 176.6 | -174.4 | 0 | 111 | D114 | D114-K128 WeakPolarHBondContact OD1-CD 3.3Å; D114-K128 WeakPolarHBondContact OD1-CE 3.43Å; D114-K128 IonicContact OD1-NZ 3.17Å; D114-K128 PolarHBondContact OD1-NZ 3.13Å; D114-K128 IonicContact OD2-NZ 2.66Å; D114-K128 PolarHBondContact OD2-NZ 2.93Å |
| 129 | L | 96 | Very high | 94.6 | Very high | 17 Ų | 17 | 71.4 Ų | 71.4 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.1 | 169 | -64.3 | -174.3 | 0 | 0 | 0 | 111.5 | R117 E133 T134 L137 T172 L175 | R117-L129 VanDerWaalsContact CZ-O 3.28Å; R117-L129 PolarHBondContact NE-O 3.42Å; R117-L129 PolarHBondContact NH2-O 3.09Å; L129-E133 HydrophobicContact CB-CB 4.4Å; L129-T134 WeakPolarHBondContact CB-OG1 3.43Å; L129-T134 PolarHBondContact O-OG1 3.34Å; L129-L137 HydrophobicContact CD1-CD2 3.69Å; L129-T172 HydrophobicContact CD1-CG2 4.35Å; L129-T172 HydrophobicContact CD2-CG2 3.7Å; L129-L175 HydrophobicContact CD2-CD2 4.09Å |
| 130 | S | 97.5 | Very high | 94.6 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 165.4 | 175.3 | 88.9 | 0 | 0 | 0 | 0 | 111.5 | I132 E133 T134 | S130-I132 VanDerWaalsContact C-N 3.33Å; S130-I132 PolarHBondContact O-N 3.24Å; S130-I132 WeakPolarHBondContact OG-CG2 3.48Å; S130-E133 PolarHBondContact O-N 3.48Å; S130-E133 VanDerWaalsContact OG-CG 3.29Å; S130-E133 WeakPolarHBondContact OG-CG 3.49Å; S130-E133 PolarHBondContact OG-N 2.88Å; S130-T134 WeakPolarHBondContact O-CB 3.41Å; S130-T134 PolarHBondContact O-N 3.06Å; S130-T134 PolarHBondContact O-OG1 2.85Å |
| 131 | K | 98.3 | Very high | 94.7 | Very high | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | -178.5 | -60.3 | -154.1 | 170 | -168 | 0 | 112.4 | N110 L113 L135 | N110-K131 PolarHBondContact OD1-NZ 3.32Å; L113-K131 HydrophobicContact CD2-CB 4.14Å; L113-K131 HydrophobicContact CD2-CD 3.85Å; L113-K131 HydrophobicContact CD2-CG 3.66Å; K131-L135 WeakPolarHBondContact O-CG 3.44Å; K131-L135 PolarHBondContact O-N 2.85Å |
| 132 | I | 98.3 | Very high | 95.1 | Very high | 93 Ų | 93 | 74.1 Ų | 74.1 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.9 | -41 | 179.7 | -177.2 | 58.9 | 0 | 0 | 0 | 112.1 | S130 T134 L135 R136 | S130-I132 VanDerWaalsContact C-N 3.33Å; S130-I132 PolarHBondContact O-N 3.24Å; S130-I132 WeakPolarHBondContact OG-CG2 3.48Å; I132-T134 PolarHBondContact O-N 3.34Å; I132-L135 PolarHBondContact O-N 3.07Å; I132-R136 HydrophobicContact CD1-CG 4.27Å; I132-R136 HydrophobicContact CG1-CG 4.41Å; I132-R136 WeakPolarHBondContact O-CG 3.43Å; I132-R136 PolarHBondContact O-N 2.86Å |
| 133 | E | 98.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 79.8 Ų | 79.8 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 179.9 | -62.2 | -62.9 | 88.3 | 0 | 0 | 111.6 | L129 S130 L135 R136 L137 S169 T172 | L129-E133 HydrophobicContact CB-CB 4.4Å; S130-E133 PolarHBondContact O-N 3.48Å; S130-E133 VanDerWaalsContact OG-CG 3.29Å; S130-E133 WeakPolarHBondContact OG-CG 3.49Å; S130-E133 PolarHBondContact OG-N 2.88Å; E133-L135 PolarHBondContact O-N 2.7Å; E133-R136 PolarHBondContact O-N 3.19Å; E133-R136 VanDerWaalsContact OE1-CD 3.31Å; E133-R136 WeakPolarHBondContact OE1-CD 3.48Å; E133-R136 IonicContact OE1-CZ 3.78Å; E133-R136 IonicContact OE1-NE 2.72Å; E133-R136 IonicContact OE1-NH1 3.7Å; E133-R136 PolarHBondContact OE1-NH1 2.72Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 PolarHBondContact O-N 3.41Å; E133-S169 VanDerWaalsContact OE2-CB 3.25Å; E133-S169 WeakPolarHBondContact OE2-CB 3.34Å; E133-S169 PolarHBondContact OE2-N 2.93Å; E133-S169 PolarHBondContact OE2-OG 2.84Å; E133-T172 HydrophobicContact CB-CG2 4.47Å; E133-T172 PolarHBondContact OE2-OG1 2.91Å |
| 134 | T | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.4 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | L113 L116 R117 L129 S130 I132 A138 | L113-T134 HydrophobicContact CD1-CG2 3.8Å; L116-T134 HydrophobicContact CD2-CG2 4.07Å; L116-T134 HydrophobicContact CG-CG2 4.17Å; R117-T134 HydrophobicContact CG-CG2 3.64Å; R117-T134 PolarHBondContact NE-OG1 3.5Å; L129-T134 WeakPolarHBondContact CB-OG1 3.43Å; L129-T134 PolarHBondContact O-OG1 3.34Å; S130-T134 WeakPolarHBondContact O-CB 3.41Å; S130-T134 PolarHBondContact O-N 3.06Å; S130-T134 PolarHBondContact O-OG1 2.85Å; I132-T134 PolarHBondContact O-N 3.34Å; T134-A138 VanDerWaalsContact O-CB 3.24Å; T134-A138 WeakPolarHBondContact O-CB 3.49Å; T134-A138 PolarHBondContact O-N 3.42Å |
| 135 | L | 98.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 77.1 Ų | 77.1 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.1 | -33.7 | -179.5 | -68.6 | 171.3 | 0 | 0 | 0 | 113.1 | L116 K131 I132 E133 R139 | L116-L135 HydrophobicContact CD2-CD2 4.31Å; K131-L135 WeakPolarHBondContact O-CG 3.44Å; K131-L135 PolarHBondContact O-N 2.85Å; I132-L135 PolarHBondContact O-N 3.07Å; E133-L135 PolarHBondContact O-N 2.7Å; L135-R139 PolarHBondContact O-N 3.33Å |
| 136 | R | 98.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 70.8 Ų | 70.8 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -52.7 | 172.9 | -75.1 | 168.5 | 166.7 | 174.5 | -11.7 | 111.2 | I132 E133 A138 R139 N140 G167 L168 | I132-R136 HydrophobicContact CD1-CG 4.27Å; I132-R136 HydrophobicContact CG1-CG 4.41Å; I132-R136 WeakPolarHBondContact O-CG 3.43Å; I132-R136 PolarHBondContact O-N 2.86Å; E133-R136 PolarHBondContact O-N 3.19Å; E133-R136 VanDerWaalsContact OE1-CD 3.31Å; E133-R136 WeakPolarHBondContact OE1-CD 3.48Å; E133-R136 IonicContact OE1-CZ 3.78Å; E133-R136 IonicContact OE1-NE 2.72Å; E133-R136 IonicContact OE1-NH1 3.7Å; E133-R136 PolarHBondContact OE1-NH1 2.72Å; R136-A138 VanDerWaalsContact C-N 3.3Å; R136-A138 PolarHBondContact O-N 2.78Å; R136-R139 WeakPolarHBondContact O-CB 3.43Å; R136-R139 PolarHBondContact O-N 3.01Å; R136-R139 VanDerWaalsContact O-N 3.16Å; R136-N140 VanDerWaalsContact O-CG 3.28Å; R136-N140 PolarHBondContact O-N 2.95Å; R136-N140 PolarHBondContact O-OD1 3.34Å; R136-G167 PolarHBondContact NH1-O 3.21Å; R136-L168 HydrophobicContact CB-CD2 3.4Å; R136-L168 VanDerWaalsContact CB-CD2 3.4Å; R136-L168 HydrophobicContact CG-CD2 4.4Å |
| 137 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 179.2 | -179.5 | 61.9 | 0 | 0 | 0 | 111.4 | M120 P121 C122 L129 E133 R139 N140 Y141 L164 L168 V176 | M120-L137 HydrophobicContact CB-CD2 3.97Å; M120-L137 HydrophobicContact CG-CD2 4.18Å; M120-L137 HydrophobicContact SD-CB 4.23Å; M120-L137 HydrophobicContact SD-CD2 4.06Å; M120-L137 HydrophobicContact SD-CG 3.9Å; P121-L137 HydrophobicContact CG-CD1 4.34Å; C122-L137 VanDerWaalsContact SG-CD2 3.53Å; L129-L137 HydrophobicContact CD1-CD2 3.69Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 PolarHBondContact O-N 3.41Å; L137-R139 PolarHBondContact O-N 2.66Å; L137-N140 PolarHBondContact O-N 3.14Å; L137-Y141 VanDerWaalsContact O-CB 3.25Å; L137-Y141 WeakPolarHBondContact O-CB 3.47Å; L137-Y141 PolarHBondContact O-N 2.93Å; L137-L164 HydrophobicContact CD1-CB 4.1Å; L137-L164 HydrophobicContact CD1-CD2 4Å; L137-L168 HydrophobicContact CB-CD1 4.2Å; L137-L168 HydrophobicContact CB-CD2 4.41Å; L137-L168 HydrophobicContact CD1-CD1 4.04Å; L137-V176 HydrophobicContact CD1-CG2 4.17Å; L137-V176 HydrophobicContact CD2-CG2 4.27Å |
| 138 | A | 98.6 | Very high | 97 | Very high | 10 Ų | 10 | 64 Ų | 64 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L116 M120 T134 R136 Y141 I142 | L116-A138 HydrophobicContact CD1-CB 4.09Å; L116-A138 HydrophobicContact CD2-CB 4.04Å; L116-A138 HydrophobicContact CG-CB 4.34Å; M120-A138 HydrophobicContact CE-CB 3.87Å; M120-A138 HydrophobicContact SD-CB 3.93Å; T134-A138 VanDerWaalsContact O-CB 3.24Å; T134-A138 WeakPolarHBondContact O-CB 3.49Å; T134-A138 PolarHBondContact O-N 3.42Å; R136-A138 VanDerWaalsContact C-N 3.3Å; R136-A138 PolarHBondContact O-N 2.78Å; A138-Y141 PolarHBondContact O-N 2.96Å; A138-I142 WeakPolarHBondContact O-CD1 3.46Å; A138-I142 VanDerWaalsContact O-CG1 3.27Å; A138-I142 WeakPolarHBondContact O-CG1 3.44Å; A138-I142 PolarHBondContact O-N 3.14Å |
| 139 | R | 98.4 | Very high | 97 | Very high | 189 Ų | 189 | 65.3 Ų | 65.3 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.2 | -49 | 173.7 | -180 | -170.5 | -64.2 | -157.6 | -2.4 | 111.3 | L135 R136 L137 Y141 I142 W143 | L135-R139 PolarHBondContact O-N 3.33Å; R136-R139 WeakPolarHBondContact O-CB 3.43Å; R136-R139 PolarHBondContact O-N 3.01Å; R136-R139 VanDerWaalsContact O-N 3.16Å; L137-R139 PolarHBondContact O-N 2.66Å; R139-Y141 VanDerWaalsContact C-N 3.29Å; R139-Y141 PolarHBondContact O-N 3.17Å; R139-I142 PolarHBondContact O-N 3.28Å; R139-W143 PolarHBondContact O-N 2.94Å; R139-W143 VanDerWaalsContact O-N 3.1Å |
| 140 | N | 97.9 | Very high | 96.9 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | -177.9 | -65.9 | -2.2 | 0 | 0 | 0 | 111.3 | R136 L137 A144 M163 L164 K166 | R136-N140 VanDerWaalsContact O-CG 3.28Å; R136-N140 PolarHBondContact O-N 2.95Å; R136-N140 PolarHBondContact O-OD1 3.34Å; L137-N140 PolarHBondContact O-N 3.14Å; N140-A144 VanDerWaalsContact O-CB 3.28Å; N140-A144 WeakPolarHBondContact O-CB 3.46Å; N140-A144 PolarHBondContact O-N 3.14Å; N140-M163 WeakPolarHBondContact CB-O 3.35Å; N140-M163 PolarHBondContact ND2-O 3.45Å; N140-L164 PolarHBondContact ND2-O 3.43Å; N140-K166 PolarHBondContact ND2-O 2.92Å |
| 141 | Y | 97.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 72.3 Ų | 72.3 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71 | -39.5 | 178.5 | -173.5 | -146.5 | 0 | 0 | 0 | 112.6 | V119 M120 P121 L137 A138 R139 A144 L145 F160 L164 | V119-Y141 WeakPolarHBondContact O-CE1 3.37Å; M120-Y141 HydrophobicContact CE-CD1 4.25Å; P121-Y141 HydrophobicContact CG-CD1 4.45Å; P121-Y141 HydrophobicContact CG-CD2 4.32Å; P121-Y141 HydrophobicContact CG-CE2 4.48Å; P121-Y141 HydrophobicContact CG-CG 4.3Å; L137-Y141 VanDerWaalsContact O-CB 3.25Å; L137-Y141 WeakPolarHBondContact O-CB 3.47Å; L137-Y141 PolarHBondContact O-N 2.93Å; A138-Y141 PolarHBondContact O-N 2.96Å; R139-Y141 VanDerWaalsContact C-N 3.29Å; R139-Y141 PolarHBondContact O-N 3.17Å; Y141-A144 PolarHBondContact O-N 3.34Å; Y141-L145 HydrophobicContact CD1-CD1 4.5Å; Y141-L145 HydrophobicContact CD2-CD1 3.98Å; Y141-L145 HydrophobicContact CD2-CG 3.9Å; Y141-L145 HydrophobicContact CE1-CD1 4.2Å; Y141-L145 HydrophobicContact CE2-CD1 3.64Å; Y141-L145 HydrophobicContact CE2-CD2 3.91Å; Y141-L145 HydrophobicContact CE2-CG 3.7Å; Y141-L145 HydrophobicContact CG-CD1 4.4Å; Y141-L145 WeakPolarHBondContact O-CB 3.36Å; Y141-L145 VanDerWaalsContact O-CG 3.31Å; Y141-L145 WeakPolarHBondContact O-CG 3.4Å; Y141-L145 PolarHBondContact O-N 3.06Å; Y141-F160 HydrophobicContact CD2-CZ 4.35Å; Y141-F160 HydrophobicContact CE2-CZ 4.18Å; Y141-L164 HydrophobicContact CD2-CD2 3.93Å; Y141-L164 HydrophobicContact CG-CD2 4.17Å |
| 142 | I | 97.9 | Very high | 96.1 | Very high | 114 Ų | 114 | 70.9 Ų | 70.9 | 59% | 0.585 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.8 | -49.7 | 172.2 | -70 | 164 | 0 | 0 | 0 | 110.3 | A138 R139 L145 S146 | A138-I142 WeakPolarHBondContact O-CD1 3.46Å; A138-I142 VanDerWaalsContact O-CG1 3.27Å; A138-I142 WeakPolarHBondContact O-CG1 3.44Å; A138-I142 PolarHBondContact O-N 3.14Å; R139-I142 PolarHBondContact O-N 3.28Å; I142-L145 PolarHBondContact O-N 3.49Å; I142-S146 PolarHBondContact O-N 3.35Å; I142-S146 PolarHBondContact O-OG 3.43Å |
| 143 | W | 96.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 73 Ų | 73 | 47% | 0.466 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 177.2 | 178.2 | 11.9 | 0 | 0 | 0 | 111.8 | R139 L145 S146 E147 | R139-W143 PolarHBondContact O-N 2.94Å; R139-W143 VanDerWaalsContact O-N 3.1Å; W143-L145 PolarHBondContact O-N 2.89Å; W143-S146 WeakPolarHBondContact O-CB 3.48Å; W143-S146 PolarHBondContact O-N 3.35Å; W143-E147 PolarHBondContact NE1-OE2 2.86Å; W143-E147 PolarHBondContact O-N 2.72Å |
| 144 | A | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.9 | -31.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N140 Y141 V148 F160 M163 L164 | N140-A144 VanDerWaalsContact O-CB 3.28Å; N140-A144 WeakPolarHBondContact O-CB 3.46Å; N140-A144 PolarHBondContact O-N 3.14Å; Y141-A144 PolarHBondContact O-N 3.34Å; A144-V148 WeakPolarHBondContact O-CG2 3.47Å; A144-V148 PolarHBondContact O-N 3.03Å; A144-F160 HydrophobicContact CB-CD2 4.11Å; A144-F160 HydrophobicContact CB-CE2 3.73Å; A144-M163 HydrophobicContact CB-CB 4.3Å; A144-M163 HydrophobicContact CB-CE 3.84Å; A144-M163 HydrophobicContact CB-SD 4.43Å; A144-L164 HydrophobicContact CB-CD2 4.46Å |
| 145 | L | 95.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 80 Ų | 80 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -77.5 | -36.5 | 172.5 | -70.3 | 176.5 | 0 | 0 | 0 | 113 | Y141 I142 W143 E147 V148 L149 | Y141-L145 HydrophobicContact CD1-CD1 4.5Å; Y141-L145 HydrophobicContact CD2-CD1 3.98Å; Y141-L145 HydrophobicContact CD2-CG 3.9Å; Y141-L145 HydrophobicContact CE1-CD1 4.2Å; Y141-L145 HydrophobicContact CE2-CD1 3.64Å; Y141-L145 HydrophobicContact CE2-CD2 3.91Å; Y141-L145 HydrophobicContact CE2-CG 3.7Å; Y141-L145 HydrophobicContact CG-CD1 4.4Å; Y141-L145 WeakPolarHBondContact O-CB 3.36Å; Y141-L145 VanDerWaalsContact O-CG 3.31Å; Y141-L145 WeakPolarHBondContact O-CG 3.4Å; Y141-L145 PolarHBondContact O-N 3.06Å; I142-L145 PolarHBondContact O-N 3.49Å; W143-L145 PolarHBondContact O-N 2.89Å; L145-E147 VanDerWaalsContact C-N 3.35Å; L145-V148 PolarHBondContact O-N 3.08Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.37Å; L145-L149 VanDerWaalsContact O-N 3.11Å |
| 146 | S | 96.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 82.9 Ų | 82.9 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 171.5 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | I142 W143 V148 L149 E150 | I142-S146 PolarHBondContact O-N 3.35Å; I142-S146 PolarHBondContact O-OG 3.43Å; W143-S146 WeakPolarHBondContact O-CB 3.48Å; W143-S146 PolarHBondContact O-N 3.35Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.21Å; S146-L149 PolarHBondContact O-N 3.47Å; S146-L149 VanDerWaalsContact O-N 3.08Å; S146-E150 WeakPolarHBondContact O-CG 3.38Å; S146-E150 PolarHBondContact O-N 2.73Å |
| 147 | E | 93.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 79.5 Ų | 79.5 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 178.8 | -157.6 | 81.9 | -146.8 | 0 | 0 | 111.9 | W143 L145 T151 | W143-E147 PolarHBondContact NE1-OE2 2.86Å; W143-E147 PolarHBondContact O-N 2.72Å; L145-E147 VanDerWaalsContact C-N 3.35Å; E147-T151 WeakPolarHBondContact O-CB 3.38Å; E147-T151 VanDerWaalsContact O-CG2 3.32Å; E147-T151 WeakPolarHBondContact O-CG2 3.37Å; E147-T151 PolarHBondContact O-N 3.38Å; E147-T151 PolarHBondContact O-OG1 2.99Å |
| 148 | V | 93.8 | Very high | 91 | Very high | 33 Ų | 33 | 86.8 Ų | 86.8 | 20% | 0.2 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | A144 L145 S146 G152 T154 P155 | A144-V148 WeakPolarHBondContact O-CG2 3.47Å; A144-V148 PolarHBondContact O-N 3.03Å; L145-V148 PolarHBondContact O-N 3.08Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.21Å; V148-G152 WeakPolarHBondContact O-CA 3.31Å; V148-G152 PolarHBondContact O-N 3.37Å; V148-G152 VanDerWaalsContact O-N 3.13Å; V148-T154 HydrophobicContact CG1-CG2 4.32Å; V148-P155 VanDerWaalsContact CG2-CD 3.45Å; V148-P155 HydrophobicContact CG2-CG 4.31Å |
| 149 | L | 94.7 | Very high | 90.6 | Very high | 146 Ų | 146 | 87.6 Ų | 87.6 | 76% | 0.764 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73.2 | -35.2 | -178.5 | -69.6 | 170.6 | 0 | 0 | 0 | 112.6 | L145 S146 | L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.37Å; L145-L149 VanDerWaalsContact O-N 3.11Å; S146-L149 PolarHBondContact O-N 3.47Å; S146-L149 VanDerWaalsContact O-N 3.08Å |
| 150 | E | 94.3 | Very high | 90.2 | Very high | 161 Ų | 161 | 80.5 Ų | 80.5 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -77.7 | -39.1 | 179.6 | -72 | 176.3 | -141.7 | 0 | 0 | 112.5 | S146 | S146-E150 WeakPolarHBondContact O-CG 3.38Å; S146-E150 PolarHBondContact O-N 2.73Å |
| 151 | T | 91 | Very high | 90 | Very high | 64 Ų | 64 | 80.4 Ų | 80.4 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -86.1 | -13.4 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | E147 Q153 | E147-T151 WeakPolarHBondContact O-CB 3.38Å; E147-T151 VanDerWaalsContact O-CG2 3.32Å; E147-T151 WeakPolarHBondContact O-CG2 3.37Å; E147-T151 PolarHBondContact O-N 3.38Å; E147-T151 PolarHBondContact O-OG1 2.99Å; T151-Q153 PolarHBondContact O-N 3.31Å; T151-Q153 VanDerWaalsContact O-N 3.16Å; T151-Q153 PolarHBondContact O-NE2 2.58Å; T151-Q153 PolarHBondContact OG1-N 2.74Å; T151-Q153 PolarHBondContact OG1-O 3.37Å |
| 152 | G | 87.7 | Confident | 89.8 | Confident | 69 Ų | 69 | 84.4 Ų | 84.4 | 71% | 0.711 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 64.6 | 8.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | V148 | V148-G152 WeakPolarHBondContact O-CA 3.31Å; V148-G152 PolarHBondContact O-N 3.37Å; V148-G152 VanDerWaalsContact O-N 3.13Å |
| 153 | Q | 82.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 81 Ų | 81 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -125.2 | 131.5 | -172.8 | -73.2 | 165.8 | 92.2 | 0 | 0 | 109.3 | T151 P155 | T151-Q153 PolarHBondContact O-N 3.31Å; T151-Q153 VanDerWaalsContact O-N 3.16Å; T151-Q153 PolarHBondContact O-NE2 2.58Å; T151-Q153 PolarHBondContact OG1-N 2.74Å; T151-Q153 PolarHBondContact OG1-O 3.37Å; Q153-P155 VanDerWaalsContact O-CD 3.31Å; Q153-P155 WeakPolarHBondContact O-CD 3.29Å |
| 154 | T | 78.6 | Confident | 89.5 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 72% | 0.718 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 121.4 | 164.9 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | V148 | V148-T154 HydrophobicContact CG1-CG2 4.32Š|
| 155 | P | 76.1 | Confident | 89.6 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 145.4 | 172.3 | -24.5 | 33.2 | 0 | 0 | 0 | 110 | V148 Q153 G157 F160 M163 | V148-P155 VanDerWaalsContact CG2-CD 3.45Å; V148-P155 HydrophobicContact CG2-CG 4.31Å; Q153-P155 VanDerWaalsContact O-CD 3.31Å; Q153-P155 WeakPolarHBondContact O-CD 3.29Å; P155-G157 PolarHBondContact O-N 2.91Å; P155-F160 HydrophobicContact CB-CB 4.36Å; P155-M163 HydrophobicContact CB-CE 4.28Å; P155-M163 HydrophobicContact CG-CE 3.76Å |
| 156 | E | 78.2 | Confident | 89.6 | Confident | 161 Ų | 161 | 79 Ų | 79 | 75% | 0.752 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 136.8 | 169.5 | -72.5 | -169.9 | -165.6 | 0 | 0 | 109.5 | K158 G159 F160 | E156-K158 CarbonylContact O-C 3.57Å; E156-K158 PolarHBondContact O-N 3.35Å; E156-G159 WeakPolarHBondContact O-CA 3.44Å; E156-G159 PolarHBondContact O-N 3.12Å; E156-F160 PolarHBondContact O-N 2.74Å; E156-F160 VanDerWaalsContact O-N 3.08Å |
| 157 | G | 82.5 | Confident | 89.6 | Confident | 35 Ų | 35 | 79.3 Ų | 79.3 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -54 | -29.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114 | P155 F160 V161 L182 | P155-G157 PolarHBondContact O-N 2.91Å; G157-F160 PolarHBondContact O-N 3.37Å; G157-V161 WeakPolarHBondContact O-CB 3.38Å; G157-V161 WeakPolarHBondContact O-CG2 3.31Å; G157-V161 PolarHBondContact O-N 2.98Å; G157-L182 WeakPolarHBondContact O-CD1 3.25Å; G157-L182 WeakPolarHBondContact O-CD2 3.43Å |
| 158 | K | 85.4 | Confident | 89.8 | Confident | 152 Ų | 152 | 76.7 Ų | 76.7 | 66% | 0.661 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -57.1 | -53.8 | 170.5 | -68.5 | 176.6 | -178.1 | -68.2 | 0 | 112.5 | E156 V161 E162 L182 | E156-K158 CarbonylContact O-C 3.57Å; E156-K158 PolarHBondContact O-N 3.35Å; K158-V161 PolarHBondContact O-N 3.29Å; K158-E162 WeakPolarHBondContact O-CB 3.46Å; K158-E162 PolarHBondContact O-N 2.86Å; K158-L182 HydrophobicContact CB-CD1 4.37Å; K158-L182 HydrophobicContact CG-CD1 4.01Å |
| 159 | G | 89.1 | Confident | 90 | Very high | 28 Ų | 28 | 77.5 Ų | 77.5 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E156 E162 M163 | E156-G159 WeakPolarHBondContact O-CA 3.44Å; E156-G159 PolarHBondContact O-N 3.12Å; G159-E162 PolarHBondContact O-N 2.84Å; G159-M163 WeakPolarHBondContact O-CG 3.5Å; G159-M163 PolarHBondContact O-N 2.78Å |
| 160 | F | 91.3 | Very high | 90 | Very high | 40 Ų | 40 | 76.9 Ų | 76.9 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.9 | -171.8 | -104.8 | 0 | 0 | 0 | 112.2 | Y141 A144 P155 E156 G157 M163 L164 L180 | Y141-F160 HydrophobicContact CD2-CZ 4.35Å; Y141-F160 HydrophobicContact CE2-CZ 4.18Å; A144-F160 HydrophobicContact CB-CD2 4.11Å; A144-F160 HydrophobicContact CB-CE2 3.73Å; P155-F160 HydrophobicContact CB-CB 4.36Å; E156-F160 PolarHBondContact O-N 2.74Å; E156-F160 VanDerWaalsContact O-N 3.08Å; G157-F160 PolarHBondContact O-N 3.37Å; F160-M163 HydrophobicContact CD2-CE 4.3Å; F160-M163 PolarHBondContact O-N 2.92Å; F160-L164 HydrophobicContact CD1-CD1 3.91Å; F160-L164 HydrophobicContact CE1-CD1 3.54Å; F160-L164 HydrophobicContact CE1-CG 4.38Å; F160-L164 HydrophobicContact CZ-CD1 4.11Å; F160-L164 WeakPolarHBondContact O-CG 3.39Å; F160-L164 PolarHBondContact O-N 3.11Å; F160-L164 VanDerWaalsContact O-N 3.13Å; F160-L180 HydrophobicContact CD1-CD1 4.44Å; F160-L180 HydrophobicContact CE1-CD1 4.37Å |
| 161 | V | 92.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 73.5 Ų | 73.5 | 8% | 0.079 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | G157 K158 L164 C165 A177 L180 L182 | G157-V161 WeakPolarHBondContact O-CB 3.38Å; G157-V161 WeakPolarHBondContact O-CG2 3.31Å; G157-V161 PolarHBondContact O-N 2.98Å; K158-V161 PolarHBondContact O-N 3.29Å; V161-L164 PolarHBondContact O-N 3.35Å; V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.48Å; V161-C165 PolarHBondContact O-N 3.49Å; V161-C165 PolarHBondContact O-SG 3.39Å; V161-A177 HydrophobicContact CG1-CB 4.11Å; V161-L180 HydrophobicContact CG2-CB 3.85Å; V161-L180 HydrophobicContact CG2-CD1 3.84Å; V161-L182 HydrophobicContact CB-CD1 3.91Å; V161-L182 HydrophobicContact CG1-CD1 4.44Å; V161-L182 HydrophobicContact CG2-CD1 3.72Å; V161-L182 HydrophobicContact CG2-CD2 4.12Å; V161-L182 HydrophobicContact CG2-CG 3.92Å |
| 162 | E | 92.7 | Very high | 90.3 | Very high | 149 Ų | 149 | 71.1 Ų | 71.1 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 175.6 | -173.5 | 177.4 | 171.7 | 0 | 0 | 111.9 | K158 G159 L164 C165 K166 | K158-E162 WeakPolarHBondContact O-CB 3.46Å; K158-E162 PolarHBondContact O-N 2.86Å; G159-E162 PolarHBondContact O-N 2.84Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3Å; E162-C165 PolarHBondContact O-N 3.43Å; E162-K166 PolarHBondContact O-N 3.29Å; E162-K166 VanDerWaalsContact O-N 3.14Å |
| 163 | M | 93.9 | Very high | 90.6 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 21% | 0.207 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.7 | -72.5 | -165.5 | -67.5 | 0 | 0 | 111.9 | N140 A144 P155 G159 F160 K166 | N140-M163 WeakPolarHBondContact CB-O 3.35Å; N140-M163 PolarHBondContact ND2-O 3.45Å; A144-M163 HydrophobicContact CB-CB 4.3Å; A144-M163 HydrophobicContact CB-CE 3.84Å; A144-M163 HydrophobicContact CB-SD 4.43Å; P155-M163 HydrophobicContact CB-CE 4.28Å; P155-M163 HydrophobicContact CG-CE 3.76Å; G159-M163 WeakPolarHBondContact O-CG 3.5Å; G159-M163 PolarHBondContact O-N 2.78Å; F160-M163 HydrophobicContact CD2-CE 4.3Å; F160-M163 PolarHBondContact O-N 2.92Å; M163-K166 WeakPolarHBondContact O-CB 3.4Å; M163-K166 PolarHBondContact O-N 3.02Å |
| 164 | L | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.1 | -70.5 | 177 | 0 | 0 | 0 | 112.8 | P121 L137 N140 Y141 A144 F160 V161 E162 K166 L168 V176 L180 | P121-L164 HydrophobicContact CB-CD1 4.39Å; P121-L164 HydrophobicContact CG-CD1 3.87Å; P121-L164 HydrophobicContact CG-CD2 4.24Å; L137-L164 HydrophobicContact CD1-CB 4.1Å; L137-L164 HydrophobicContact CD1-CD2 4Å; N140-L164 PolarHBondContact ND2-O 3.43Å; Y141-L164 HydrophobicContact CD2-CD2 3.93Å; Y141-L164 HydrophobicContact CG-CD2 4.17Å; A144-L164 HydrophobicContact CB-CD2 4.46Å; F160-L164 HydrophobicContact CD1-CD1 3.91Å; F160-L164 HydrophobicContact CE1-CD1 3.54Å; F160-L164 HydrophobicContact CE1-CG 4.38Å; F160-L164 HydrophobicContact CZ-CD1 4.11Å; F160-L164 WeakPolarHBondContact O-CG 3.39Å; F160-L164 PolarHBondContact O-N 3.11Å; F160-L164 VanDerWaalsContact O-N 3.13Å; V161-L164 PolarHBondContact O-N 3.35Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3Å; L164-K166 VanDerWaalsContact C-N 3.26Å; L164-K166 PolarHBondContact O-N 2.98Å; L164-L168 WeakPolarHBondContact O-CD1 3.21Å; L164-V176 HydrophobicContact CB-CG1 3.98Å; L164-V176 HydrophobicContact CD1-CG1 4.24Å; L164-L180 HydrophobicContact CD1-CD1 3.4Å |
| 165 | C | 96.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.8 | -12.6 | -178.3 | -70.5 | 0 | 0 | 0 | 0 | 114.3 | V161 E162 G167 L168 | V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.48Å; V161-C165 PolarHBondContact O-N 3.49Å; V161-C165 PolarHBondContact O-SG 3.39Å; E162-C165 PolarHBondContact O-N 3.43Å; C165-G167 PolarHBondContact O-N 2.91Å; C165-L168 WeakPolarHBondContact O-CB 3.46Å; C165-L168 PolarHBondContact O-N 3.26Å |
| 166 | K | 96 | Very high | 92.5 | Very high | 127 Ų | 127 | 61 Ų | 61 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 110.1 | -173.5 | -170.8 | 169.9 | -177.6 | 169.7 | 0 | 113 | N140 E162 M163 L164 L168 | N140-K166 PolarHBondContact ND2-O 2.92Å; E162-K166 PolarHBondContact O-N 3.29Å; E162-K166 VanDerWaalsContact O-N 3.14Å; M163-K166 WeakPolarHBondContact O-CB 3.4Å; M163-K166 PolarHBondContact O-N 3.02Å; L164-K166 VanDerWaalsContact C-N 3.26Å; L164-K166 PolarHBondContact O-N 2.98Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.41Å |
| 167 | G | 96.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 11.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R136 C165 | R136-G167 PolarHBondContact NH1-O 3.21Å; C165-G167 PolarHBondContact O-N 2.91Å |
| 168 | L | 97.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | trans | -82.3 | 159.7 | 167.3 | -58.7 | -176.4 | 0 | 0 | 0 | 111.1 | R136 L137 L164 C165 K166 T172 V176 | R136-L168 HydrophobicContact CB-CD2 3.4Å; R136-L168 VanDerWaalsContact CB-CD2 3.4Å; R136-L168 HydrophobicContact CG-CD2 4.4Å; L137-L168 HydrophobicContact CB-CD1 4.2Å; L137-L168 HydrophobicContact CB-CD2 4.41Å; L137-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 WeakPolarHBondContact O-CD1 3.21Å; C165-L168 WeakPolarHBondContact O-CB 3.46Å; C165-L168 PolarHBondContact O-N 3.26Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.41Å; L168-T172 HydrophobicContact CB-CG2 4.28Å; L168-T172 HydrophobicContact CD1-CG2 3.84Å; L168-T172 HydrophobicContact CG-CG2 4.48Å; L168-V176 HydrophobicContact CD1-CG2 4.33Å | ||
| 169 | S | 97.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -68.8 | 143.8 | 171.5 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | E133 P171 T172 S173 | E133-S169 VanDerWaalsContact OE2-CB 3.25Å; E133-S169 WeakPolarHBondContact OE2-CB 3.34Å; E133-S169 PolarHBondContact OE2-N 2.93Å; E133-S169 PolarHBondContact OE2-OG 2.84Å; S169-P171 VanDerWaalsContact C-CD 3.43Å; S169-P171 VanDerWaalsContact C-N 3.35Å; S169-P171 VanDerWaalsContact O-N 3.17Å; S169-T172 WeakPolarHBondContact O-CA 3.49Å; S169-T172 WeakPolarHBondContact O-CB 3.44Å; S169-T172 PolarHBondContact O-N 3.41Å; S169-T172 WeakPolarHBondContact OG-CB 3.32Å; S169-T172 PolarHBondContact OG-OG1 3.11Å; S169-S173 PolarHBondContact O-N 3.25Å; S169-S173 PolarHBondContact O-OG 2.83Å | ||
| 170 | Q | 95.5 | Very high | 93.2 | Very high | 132 Ų | 132 | 52.6 Ų | 52.6 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -49.8 | -43.1 | -177.3 | -167.8 | 67.3 | 53.2 | 0 | 0 | 114.7 | T172 S173 N174 | Q170-T172 VanDerWaalsContact C-N 3.27Å; Q170-T172 PolarHBondContact O-N 3.21Å; Q170-S173 PolarHBondContact O-N 3.04Å; Q170-N174 PolarHBondContact NE2-OD1 2.9Å; Q170-N174 WeakPolarHBondContact O-CB 3.5Å; Q170-N174 PolarHBondContact O-N 3.46Å; Q170-N174 PolarHBondContact O-OD1 3.19Å; Q170-N174 VanDerWaalsContact O-OD1 3.12Å |
| 171 | P | 94.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.1 | -31.9 | 176.8 | -21 | 34.5 | 0 | 0 | 0 | 113 | S169 L175 | S169-P171 VanDerWaalsContact C-CD 3.43Å; S169-P171 VanDerWaalsContact C-N 3.35Å; S169-P171 VanDerWaalsContact O-N 3.17Å; P171-L175 PolarHBondContact O-N 3Å; P171-L175 VanDerWaalsContact O-N 3.14Å |
| 172 | T | 95.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.3 | -42.7 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | L129 E133 L168 S169 Q170 N174 L175 V176 | L129-T172 HydrophobicContact CD1-CG2 4.35Å; L129-T172 HydrophobicContact CD2-CG2 3.7Å; E133-T172 HydrophobicContact CB-CG2 4.47Å; E133-T172 PolarHBondContact OE2-OG1 2.91Å; L168-T172 HydrophobicContact CB-CG2 4.28Å; L168-T172 HydrophobicContact CD1-CG2 3.84Å; L168-T172 HydrophobicContact CG-CG2 4.48Å; S169-T172 WeakPolarHBondContact O-CA 3.49Å; S169-T172 WeakPolarHBondContact O-CB 3.44Å; S169-T172 PolarHBondContact O-N 3.41Å; S169-T172 WeakPolarHBondContact OG-CB 3.32Å; S169-T172 PolarHBondContact OG-OG1 3.11Å; Q170-T172 VanDerWaalsContact C-N 3.27Å; Q170-T172 PolarHBondContact O-N 3.21Å; T172-N174 VanDerWaalsContact C-N 3.3Å; T172-N174 PolarHBondContact O-N 3.2Å; T172-L175 WeakPolarHBondContact O-CB 3.36Å; T172-L175 PolarHBondContact O-N 3.12Å; T172-L175 VanDerWaalsContact O-N 3.14Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 2.66Å |
| 173 | S | 94.9 | Very high | 88.4 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 174.1 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | S169 Q170 V176 A177 | S169-S173 PolarHBondContact O-N 3.25Å; S169-S173 PolarHBondContact O-OG 2.83Å; Q170-S173 PolarHBondContact O-N 3.04Å; S173-V176 PolarHBondContact O-N 2.87Å; S173-A177 WeakPolarHBondContact O-CB 3.46Å; S173-A177 PolarHBondContact O-N 2.75Å |
| 174 | N | 92.9 | Very high | 86.1 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 173.5 | -69 | 5.7 | 0 | 0 | 0 | 111.9 | Q170 T172 G178 | Q170-N174 PolarHBondContact NE2-OD1 2.9Å; Q170-N174 WeakPolarHBondContact O-CB 3.5Å; Q170-N174 PolarHBondContact O-N 3.46Å; Q170-N174 PolarHBondContact O-OD1 3.19Å; Q170-N174 VanDerWaalsContact O-OD1 3.12Å; T172-N174 VanDerWaalsContact C-N 3.3Å; T172-N174 PolarHBondContact O-N 3.2Å; N174-G178 PolarHBondContact O-N 3.29Å |
| 175 | L | 92.5 | Very high | 83.4 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 18% | 0.183 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 175.5 | 179.1 | 63.3 | 0 | 0 | 0 | 111.8 | C122 L129 P171 T172 G178 C179 | C122-L175 HydrophobicContact CB-CG 4.36Å; L129-L175 HydrophobicContact CD2-CD2 4.09Å; P171-L175 PolarHBondContact O-N 3Å; P171-L175 VanDerWaalsContact O-N 3.14Å; T172-L175 WeakPolarHBondContact O-CB 3.36Å; T172-L175 PolarHBondContact O-N 3.12Å; T172-L175 VanDerWaalsContact O-N 3.14Å; L175-G178 PolarHBondContact O-N 2.85Å; L175-C179 WeakPolarHBondContact O-CB 3.39Å; L175-C179 PolarHBondContact O-N 3.21Å; L175-C179 PolarHBondContact O-SG 2.83Å; L175-C179 VanDerWaalsContact O-SG 3.34Å |
| 176 | V | 92.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | C122 L137 L164 L168 T172 S173 G178 C179 L180 | C122-V176 HydrophobicContact CB-CG2 4.07Å; L137-V176 HydrophobicContact CD1-CG2 4.17Å; L137-V176 HydrophobicContact CD2-CG2 4.27Å; L164-V176 HydrophobicContact CB-CG1 3.98Å; L164-V176 HydrophobicContact CD1-CG1 4.24Å; L168-V176 HydrophobicContact CD1-CG2 4.33Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 2.66Å; S173-V176 PolarHBondContact O-N 2.87Å; V176-G178 PolarHBondContact O-N 3.09Å; V176-C179 PolarHBondContact O-N 2.74Å; V176-L180 HydrophobicContact CG1-CD1 3.86Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 PolarHBondContact O-N 3.25Å |
| 177 | A | 89.9 | Confident | 77.9 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V161 S173 L180 Q181 | V161-A177 HydrophobicContact CG1-CB 4.11Å; S173-A177 WeakPolarHBondContact O-CB 3.46Å; S173-A177 PolarHBondContact O-N 2.75Å; A177-L180 PolarHBondContact O-N 2.87Å; A177-Q181 PolarHBondContact O-N 3.05Å; A177-Q181 VanDerWaalsContact O-N 3.14Å |
| 178 | G | 88.7 | Confident | 75.2 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.8 | -32.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N174 L175 V176 Q181 | N174-G178 PolarHBondContact O-N 3.29Å; L175-G178 PolarHBondContact O-N 2.85Å; V176-G178 PolarHBondContact O-N 3.09Å; G178-Q181 VanDerWaalsContact O-CG 3.29Å; G178-Q181 WeakPolarHBondContact O-CG 3.4Å |
| 179 | C | 88.2 | Confident | 72.5 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 37% | 0.365 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74 | -35.1 | 174.1 | -73.5 | 0 | 0 | 0 | 0 | 113 | C122 L175 V176 | C122-C179 HydrophobicContact CB-CB 3.82Å; L175-C179 WeakPolarHBondContact O-CB 3.39Å; L175-C179 PolarHBondContact O-N 3.21Å; L175-C179 PolarHBondContact O-SG 2.83Å; L175-C179 VanDerWaalsContact O-SG 3.34Å; V176-C179 PolarHBondContact O-N 2.74Å |
| 180 | L | 83.2 | Confident | 69.5 | Low | 54 Ų | 54 | 88.9 Ų | 88.9 | 28% | 0.283 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -94.1 | -0.2 | -175 | -68.1 | 171.8 | 0 | 0 | 0 | 114.6 | P121 F160 V161 L164 V176 A177 L182 | P121-L180 HydrophobicContact CB-CD1 4.39Å; P121-L180 HydrophobicContact CB-CD2 4.25Å; F160-L180 HydrophobicContact CD1-CD1 4.44Å; F160-L180 HydrophobicContact CE1-CD1 4.37Å; V161-L180 HydrophobicContact CG2-CB 3.85Å; V161-L180 HydrophobicContact CG2-CD1 3.84Å; L164-L180 HydrophobicContact CD1-CD1 3.4Å; V176-L180 HydrophobicContact CG1-CD1 3.86Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 PolarHBondContact O-N 3.25Å; A177-L180 PolarHBondContact O-N 2.87Å; L180-L182 PolarHBondContact O-N 3.09Å; L180-L182 VanDerWaalsContact O-N 3.15Å |
| 181 | Q | 70.4 | Confident | 66.7 | Low | 158 Ų | 158 | 91.9 Ų | 91.9 | 74% | 0.738 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 54 | 160.3 | -60.9 | -174.8 | 5.2 | 0 | 0 | 114.9 | A177 G178 G183 | A177-Q181 PolarHBondContact O-N 3.05Å; A177-Q181 VanDerWaalsContact O-N 3.14Å; G178-Q181 VanDerWaalsContact O-CG 3.29Å; G178-Q181 WeakPolarHBondContact O-CG 3.4Å; Q181-G183 PolarHBondContact O-N 3.49Å |
| 182 | L | 58.7 | Low | 63.8 | Low | 73 Ų | 73 | 94.9 Ų | 94.9 | 38% | 0.382 | 54% | 0.535 | S | S | . | . | trans | -64.3 | 99.8 | 166.8 | -55.5 | -174.7 | 0 | 0 | 0 | 108.4 | G157 K158 V161 L180 S184 | G157-L182 WeakPolarHBondContact O-CD1 3.25Å; G157-L182 WeakPolarHBondContact O-CD2 3.43Å; K158-L182 HydrophobicContact CB-CD1 4.37Å; K158-L182 HydrophobicContact CG-CD1 4.01Å; V161-L182 HydrophobicContact CB-CD1 3.91Å; V161-L182 HydrophobicContact CG1-CD1 4.44Å; V161-L182 HydrophobicContact CG2-CD1 3.72Å; V161-L182 HydrophobicContact CG2-CD2 4.12Å; V161-L182 HydrophobicContact CG2-CG 3.92Å; L180-L182 PolarHBondContact O-N 3.09Å; L180-L182 VanDerWaalsContact O-N 3.15Å; L182-S184 PolarHBondContact O-N 3.03Å | ||
| 183 | G | 45.2 | Very low | 61.1 | Low | 57 Ų | 57 | 101.7 Ų | 101.7 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | trans | -48.2 | 121.1 | -150.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q181 Q185 | Q181-G183 PolarHBondContact O-N 3.49Å; G183-Q185 PolarHBondContact O-N 2.96Å | ||
| 184 | S | 46.9 | Very low | 58.3 | Low | 124 Ų | 124 | 106 Ų | 106 | 87% | 0.867 | 59% | 0.588 | S | S | * | * | trans | -57.3 | 98.3 | 134.3 | -66.5 | 0 | 0 | 0 | 0 | 106.3 | L182 S186 | L182-S184 PolarHBondContact O-N 3.03Å; S184-S186 PolarHBondContact O-N 3.37Å; S184-S186 VanDerWaalsContact O-N 3.08Å | ||
| 185 | Q | 37.3 | Very low | 55.7 | Low | 163 Ų | 163 | 109.7 Ų | 109.7 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | trans | -53 | 119.9 | 176.1 | -74.6 | -76.4 | 53 | 0 | 0 | 108.3 | G183 V187 | G183-Q185 PolarHBondContact O-N 2.96Å; Q185-V187 HydrophobicContact CB-CG2 4.26Å; Q185-V187 PolarHBondContact O-N 3.2Å | ||
| 186 | S | 35.9 | Very low | 52.8 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | trans | -75.4 | 73.5 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 110 | S184 L188 | S184-S186 PolarHBondContact O-N 3.37Å; S184-S186 VanDerWaalsContact O-N 3.08Å; S186-L188 PolarHBondContact O-N 3.07Å | ||
| 187 | V | 42.4 | Very low | 50.7 | Low | 139 Ų | 139 | 118.4 Ų | 118.4 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -75 | 66 | 170.9 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | Q185 | Q185-V187 HydrophobicContact CB-CG2 4.26Å; Q185-V187 PolarHBondContact O-N 3.2Å | ||
| 188 | L | 39.9 | Very low | 48 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | -137.7 | 97.6 | 159.8 | -147.7 | 176.1 | 0 | 0 | 0 | 108 | S186 | S186-L188 PolarHBondContact O-N 3.07Š| ||
| 189 | L | 38.7 | Very low | 45.3 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | trans | -56.3 | 143.3 | -179.1 | 176.3 | 64.2 | 0 | 0 | 0 | 113.1 | ||||
| 190 | E | 34.6 | Very low | 42.7 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | 4.7 | 123.1 | 155.7 | -77.7 | -70.6 | 101.7 | 0 | 0 | 118.3 | ||||
| 191 | K | 37.1 | Very low | 40.4 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -100.1 | 68.5 | 158 | -164.1 | -158.8 | 173.8 | -163.8 | 0 | 110.5 | ||||
| 192 | H | 33.8 | Very low | 39 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -94.4 | 124.1 | 167.1 | -162.9 | -73.7 | 0 | 0 | 0 | 110.5 | ||||
| 193 | E | 38.3 | Very low | 38 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -105.7 | 102.4 | -178.7 | -178.8 | -178.6 | 143.6 | 0 | 0 | 109.1 | ||||
| 194 | D | 37.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | trans | -158.2 | 144 | 145.8 | -129.8 | -13.7 | 0 | 0 | 0 | 116.8 | ||||
| 195 | K | 37.4 | Very low | 37 | Very low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | 18.7 | 138.7 | 162.7 | -66.2 | 154.2 | -166.6 | 87.9 | 0 | 122.2 | ||||
| 196 | S | 31.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -72.5 | 177.4 | 170.6 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 197 | P | 49.6 | Very low | 37.2 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | cis | -149.8 | 179.2 | 23.2 | 46.4 | -26 | 0 | 0 | 0 | 120.1 | ||||
| 198 | I | 32.7 | Very low | 37 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 61.8 | 113.3 | 156.8 | -64.2 | 151.7 | 0 | 0 | 0 | 119 | ||||
| 199 | C | 32 | Very low | 36.6 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | -158.1 | 145.1 | 120.5 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 200 | D | 33.1 | Very low | 36.5 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -72.4 | 143.2 | -176 | -64.5 | -92.7 | 0 | 0 | 0 | 114.1 | ||||
| 201 | S | 35.8 | Very low | 36.7 | Very low | 127 Ų | 127 | 143 Ų | 143 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -157.1 | 98.2 | 148.4 | -79.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 202 | A | 40.4 | Very low | 36.7 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -73.4 | 152.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 203 | I | 38 | Very low | 37.8 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | -178.6 | 136.7 | 128.8 | -94 | 153.7 | 0 | 0 | 0 | 110.7 | |||||
| 204 | S | 37.7 | Very low | 37.9 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | trans | 54.1 | 98.4 | 161.2 | -158.7 | 0 | 0 | 0 | 0 | 119.7 | H206 | S204-H206 PolarHBondContact OG-CD2 3.06Å; S204-H206 VanDerWaalsContact OG-CD2 3.28Å | ||
| 205 | V | 34.1 | Very low | 38.4 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -92.7 | 111.4 | 151.4 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | H | 41 | Very low | 38.9 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | -130.2 | 90.3 | 170.6 | -77.1 | -23.8 | 0 | 0 | 0 | 111.4 | S204 F208 | S204-H206 PolarHBondContact OG-CD2 3.06Å; S204-H206 VanDerWaalsContact OG-CD2 3.28Å; H206-F208 HydrophobicContact CB-CD2 4.26Å; H206-F208 HydrophobicContact CB-CE2 3.99Å; H206-F208 PolarHBondContact O-N 2.63Å; H206-F208 VanDerWaalsContact O-N 3.16Å | ||
| 207 | N | 35.9 | Very low | 39.7 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -66.2 | 105.8 | 164.9 | -82.4 | 10 | 0 | 0 | 0 | 109.7 | N209 | N207-N209 PolarHBondContact O-N 3.41Š| ||
| 208 | F | 38.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 75% | 0.746 | 78% | 0.781 | S | S | * | * | trans | -89.9 | 89 | 165.1 | -83.8 | -78.1 | 0 | 0 | 0 | 110.7 | H206 Y210 | H206-F208 HydrophobicContact CB-CD2 4.26Å; H206-F208 HydrophobicContact CB-CE2 3.99Å; H206-F208 PolarHBondContact O-N 2.63Å; H206-F208 VanDerWaalsContact O-N 3.16Å; F208-Y210 PolarHBondContact O-N 3.07Å | ||
| 209 | N | 31.5 | Very low | 40.8 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 104.5 | 171.8 | -171 | 58.9 | 0 | 0 | 0 | 109.5 | N207 | N207-N209 PolarHBondContact O-N 3.41Š| ||
| 210 | Y | 37 | Very low | 41.2 | Very low | 216 Ų | 216 | 138.1 Ų | 138.1 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -101.1 | 134.9 | 175.5 | -108.4 | -84.2 | 0 | 0 | 0 | 111.2 | F208 | F208-Y210 PolarHBondContact O-N 3.07Š| ||
| 211 | Q | 38.3 | Very low | 41.6 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | trans | -139.6 | 123.7 | -166.7 | -173.4 | 168.1 | -1.4 | 0 | 0 | 111.9 | ||||
| 212 | S | 38.4 | Very low | 42 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 65.5 | 166.7 | 173.7 | -84.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 213 | P | 55 | Low | 42.3 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | cis | -109.3 | 167.3 | 1.7 | 39.7 | -30 | 0 | 0 | 0 | 114.5 | ||||
| 214 | G | 41.1 | Very low | 42.3 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -104.3 | 169.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 215 | L | 47.2 | Very low | 42.8 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -132.5 | 156.4 | 166.4 | -78.4 | 176.1 | 0 | 0 | 0 | 109.2 | ||||
| 216 | P | 49.3 | Very low | 43.3 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 143.5 | -158.4 | 31.2 | -36.2 | 0 | 0 | 0 | 115.1 | ||
| 217 | S | 47.8 | Very low | 43.7 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 143.7 | 164.8 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 218 | P | 48 | Very low | 43.9 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150 | 171.4 | -23.3 | 34.9 | 0 | 0 | 0 | 113.2 | ||
| 219 | P | 56.6 | Low | 44.1 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | -107.4 | 169.1 | -165.2 | 40.9 | -37.5 | 0 | 0 | 0 | 116.6 | ||||
| 220 | Y | 40.3 | Very low | 44.5 | Very low | 241 Ų | 241 | 143.3 Ų | 143.3 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | trans | 73.4 | 147.1 | 165.9 | -66.5 | -73.1 | 0 | 0 | 0 | 119.7 | ||||
| 221 | G | 43 | Very low | 44.5 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 147.7 | 35.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 222 | H | 43.4 | Very low | 44.5 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -96.3 | 143.3 | 176.1 | -176.6 | 30.8 | 0 | 0 | 0 | 111 | ||||
| 223 | M | 46.3 | Very low | 44.4 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | 58.9 | 150.3 | -178.3 | 62.2 | -92.9 | -69.8 | 0 | 0 | 115 | ||||
| 224 | E | 38.5 | Very low | 43.4 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | cis | -154.8 | 155.9 | 35.5 | -166.1 | 158.8 | -167.1 | 0 | 0 | 113.5 | H226 | E224-H226 IonicContact OE2-NE2 3.49Š| ||
| 225 | T | 48.4 | Very low | 43 | Very low | 137 Ų | 137 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 105 | -179.9 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 226 | H | 43.9 | Very low | 42.4 | Very low | 139 Ų | 139 | 150 Ų | 150 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | trans | -114.2 | 114.6 | 173.5 | -68.9 | -52.9 | 0 | 0 | 0 | 113.5 | E224 L228 | E224-H226 IonicContact OE2-NE2 3.49Å; H226-L228 PolarHBondContact O-N 3.14Å | ||
| 227 | L | 48.8 | Very low | 41.8 | Very low | 178 Ų | 178 | 150 Ų | 150 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -69.7 | 109.7 | 167.1 | -76.4 | 160.3 | 0 | 0 | 0 | 110.4 | ||||
| 228 | L | 41.6 | Very low | 41.3 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 83.6 | 170.9 | -74.5 | 179.6 | 0 | 0 | 0 | 113.6 | H226 L230 | H226-L228 PolarHBondContact O-N 3.14Å; L228-L230 PolarHBondContact O-N 3.01Å | ||
| 229 | H | 42.1 | Very low | 40.6 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 73% | 0.731 | 80% | 0.796 | S | S | * | * | 33.1 | 85.4 | 126.6 | -156.5 | 113.7 | 0 | 0 | 0 | 117.7 | |||||
| 230 | L | 39 | Very low | 39.4 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -82.1 | 115.4 | 159.3 | -89.3 | 75.9 | 0 | 0 | 0 | 110 | L228 | L228-L230 PolarHBondContact O-N 3.01Š| ||
| 231 | K | 37.2 | Very low | 39.2 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -109.7 | 134.2 | 167.1 | -144.7 | -179.3 | -174.4 | -174.7 | 0 | 108.8 | ||||
| 232 | P | 39.5 | Very low | 39.1 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 141 | -179.6 | 27.2 | -34.8 | 0 | 0 | 0 | 111.7 | ||||
| 233 | Q | 35.6 | Very low | 38.8 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -109.3 | 141.8 | 169 | -88.5 | -72.8 | -77.1 | 0 | 0 | 110.2 | ||||
| 234 | V | 34.5 | Very low | 38.2 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -91.5 | 130.7 | -172.4 | 177.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 235 | F | 31.3 | Very low | 38.1 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -74.8 | 129.2 | 174.8 | -137.6 | -93.1 | 0 | 0 | 0 | 110.7 | ||||
| 236 | K | 35.7 | Very low | 37.5 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -132.6 | 147.4 | 167.6 | -89.8 | -169.2 | 171.7 | -174.9 | 0 | 109.6 | ||||
| 237 | S | 36.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -96.7 | 121.2 | -169.1 | -173.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 238 | L | 36.1 | Very low | 37.6 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | trans | -170.2 | 156.6 | 156.8 | -135.9 | 62.1 | 0 | 0 | 0 | 107.3 | ||||
| 239 | G | 32.9 | Very low | 37.2 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | -155.1 | -137.1 | 1.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 240 | E | 31.7 | Very low | 37 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -119.5 | 153.4 | -171.8 | -63.5 | 172.2 | 97.4 | 0 | 0 | 114.1 | ||||
| 241 | S | 37.3 | Very low | 37 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 59 | 143.9 | 158 | -89.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 242 | S | 39.8 | Very low | 37.8 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | cis | -163.3 | -154.8 | -9 | -157.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 243 | F | 37.5 | Very low | 39 | Very low | 199 Ų | 199 | 140 Ų | 140 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | cis | -164.5 | 136.9 | 4.1 | -135.3 | -48.1 | 0 | 0 | 0 | 110 | ||||
| 244 | G | 34 | Very low | 39.9 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 77.1 | 154.8 | 168 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 245 | S | 36.2 | Very low | 40.9 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | cis | -156.2 | 144.4 | 8 | -66 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 246 | H | 36.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 140 Ų | 140 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | 22.7 | 121.6 | 153.6 | -93.6 | -106.7 | 0 | 0 | 0 | 122.3 | ||||
| 247 | L | 37.2 | Very low | 43.7 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | -176.8 | -177.7 | 99 | -131.5 | 69.3 | 0 | 0 | 0 | 110.1 | |||||
| 248 | P | 57.3 | Low | 44.8 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 62% | 0.623 | 78% | 0.781 | S | S | * | * | -126.9 | 176.3 | -115.6 | 44.5 | -27.3 | 0 | 0 | 0 | 117.6 | |||||
| 249 | D | 33.8 | Very low | 45.8 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 55.1 | 87.5 | 150.1 | -57.1 | -22.5 | 0 | 0 | 0 | 120.7 | ||||
| 250 | C | 37.8 | Very low | 47.2 | Very low | 133 Ų | 133 | 135 Ų | 135 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | trans | -147.7 | 89.4 | 144.9 | -111.8 | 0 | 0 | 0 | 0 | 109.6 | T252 | C250-T252 PolarHBondContact O-N 2.85Š| ||
| 251 | S | 38.6 | Very low | 48.5 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -81.3 | 112.2 | -177.3 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 252 | T | 53.2 | Low | 49.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 132.1 | 164.4 | 46.6 | 0 | 0 | 0 | 0 | 109.7 | C250 | C250-T252 PolarHBondContact O-N 2.85Š|
| 253 | P | 64.6 | Low | 50.1 | Low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 148.9 | 178.8 | 29.4 | -34.6 | 0 | 0 | 0 | 111.1 | Y255 | P253-Y255 PolarHBondContact O-N 3.05Š|
| 254 | P | 54.8 | Low | 50.8 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 131.2 | 177.5 | 27.9 | -34.3 | 0 | 0 | 0 | 110.9 | E256 | P254-E256 PolarHBondContact O-N 3.3Š|
| 255 | Y | 55.8 | Low | 51.6 | Low | 203 Ų | 203 | 134.4 Ų | 134.4 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 102.8 | 174.6 | 175.7 | -99 | 0 | 0 | 0 | 110.1 | P253 G257 | P253-Y255 PolarHBondContact O-N 3.05Å; Y255-G257 PolarHBondContact O-N 3.47Å; Y255-G257 VanDerWaalsContact O-N 3.14Å | ||
| 256 | E | 59 | Low | 52 | Low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -69.8 | 103.4 | 161.5 | -78.3 | -152.5 | 136.7 | 0 | 0 | 109.4 | P254 | P254-E256 PolarHBondContact O-N 3.3Š| ||
| 257 | G | 67 | Low | 52.4 | Low | 38 Ų | 38 | 127.2 Ų | 127.2 | 39% | 0.392 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 139.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y255 L259 | Y255-G257 PolarHBondContact O-N 3.47Å; Y255-G257 VanDerWaalsContact O-N 3.14Å; G257-L259 PolarHBondContact O-N 2.91Å |
| 258 | P | 59.2 | Low | 52.9 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 126.8 | -176.2 | 25.4 | -34.2 | 0 | 0 | 0 | 111.6 | T260 | P258-T260 PolarHBondContact O-N 3.24Š|
| 259 | L | 56.7 | Low | 52.2 | Low | 169 Ų | 169 | 132.1 Ų | 132.1 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.1 | 177.6 | -67.2 | 170.5 | 0 | 0 | 0 | 111 | G257 P261 | G257-L259 PolarHBondContact O-N 2.91Å; L259-P261 WeakPolarHBondContact O-CD 3.44Å |
| 260 | T | 62.6 | Low | 52.6 | Low | 131 Ų | 131 | 130.2 Ų | 130.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 122 | 172.1 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | P258 | P258-T260 PolarHBondContact O-N 3.24Š|
| 261 | P | 58.6 | Low | 52.8 | Low | 106 Ų | 106 | 131.4 Ų | 131.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 141.6 | 179.1 | 27.6 | -34.1 | 0 | 0 | 0 | 110.8 | L259 L263 | L259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-L263 PolarHBondContact O-N 3.35Å |
| 262 | P | 61.8 | Low | 52.8 | Low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.4 | 179.2 | 27.4 | -34.2 | 0 | 0 | 0 | 111.2 | S264 | P262-S264 PolarHBondContact O-N 3.18Š|
| 263 | L | 50.2 | Low | 52.1 | Low | 165 Ų | 165 | 136.8 Ų | 136.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -71 | 97.5 | 178.9 | -65.1 | 177.4 | 0 | 0 | 0 | 111.1 | P261 I265 | P261-L263 PolarHBondContact O-N 3.35Å; L263-I265 PolarHBondContact O-N 3.49Å; L263-I265 VanDerWaalsContact O-N 3.08Å | ||
| 264 | S | 52 | Low | 50.6 | Low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -70.3 | 98.6 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | P262 S266 | P262-S264 PolarHBondContact O-N 3.18Å; S264-S266 VanDerWaalsContact C-N 3.28Å; S264-S266 PolarHBondContact O-N 3.1Å; S264-S266 VanDerWaalsContact O-N 3.1Å | ||
| 265 | I | 51.3 | Low | 49.7 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -83.8 | 73.4 | 169.9 | -55.4 | -178.8 | 0 | 0 | 0 | 109.1 | L263 G267 | L263-I265 PolarHBondContact O-N 3.49Å; L263-I265 VanDerWaalsContact O-N 3.08Å; I265-G267 VanDerWaalsContact C-N 3.32Å; I265-G267 PolarHBondContact O-N 3.08Å | ||
| 266 | S | 44.7 | Very low | 48.6 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | -89.7 | 67.9 | 167.3 | 54 | 0 | 0 | 0 | 0 | 110.3 | S264 N268 | S264-S266 VanDerWaalsContact C-N 3.28Å; S264-S266 PolarHBondContact O-N 3.1Å; S264-S266 VanDerWaalsContact O-N 3.1Å; S266-N268 PolarHBondContact O-N 3.01Å; S266-N268 PolarHBondContact O-OD1 2.98Å | ||
| 267 | G | 44.3 | Very low | 48.2 | Very low | 59 Ų | 59 | 128.1 Ų | 128.1 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | -79.1 | 72 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I265 F269 | I265-G267 VanDerWaalsContact C-N 3.32Å; I265-G267 PolarHBondContact O-N 3.08Å; G267-F269 PolarHBondContact O-N 3.08Å | ||
| 268 | N | 47.8 | Very low | 46.9 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -76.5 | 57.4 | -176.3 | -68.7 | 25.1 | 0 | 0 | 0 | 113.6 | S266 S270 | S266-N268 PolarHBondContact O-N 3.01Å; S266-N268 PolarHBondContact O-OD1 2.98Å; N268-S270 VanDerWaalsContact C-N 3.33Å; N268-S270 PolarHBondContact O-N 3.49Å | ||
| 269 | F | 43 | Very low | 46 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -78 | 78.6 | 172.9 | -103.2 | -86.3 | 0 | 0 | 0 | 111.6 | G267 L271 | G267-F269 PolarHBondContact O-N 3.08Å; F269-L271 PolarHBondContact O-N 3.33Å; F269-L271 VanDerWaalsContact O-N 3.14Å | ||
| 270 | S | 42.5 | Very low | 45.1 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 101.6 | 164.8 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | N268 K272 | N268-S270 VanDerWaalsContact C-N 3.33Å; N268-S270 PolarHBondContact O-N 3.49Å; S270-K272 PolarHBondContact O-N 3.3Å | ||
| 271 | L | 40.3 | Very low | 43.8 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 108.3 | 170.6 | -179 | 65.9 | 0 | 0 | 0 | 109.3 | F269 Q273 | F269-L271 PolarHBondContact O-N 3.33Å; F269-L271 VanDerWaalsContact O-N 3.14Å; L271-Q273 PolarHBondContact O-N 3.14Å; L271-Q273 VanDerWaalsContact O-N 3.07Å | ||
| 272 | K | 40 | Very low | 42.7 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 105.7 | 168.9 | -89.2 | -79.1 | -173.9 | 167.8 | 0 | 108.7 | S270 D274 | S270-K272 PolarHBondContact O-N 3.3Å; K272-D274 VanDerWaalsContact C-N 3.34Å; K272-D274 PolarHBondContact O-N 3.31Å | ||
| 273 | Q | 37.5 | Very low | 41.5 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -85.3 | 77.7 | 175.6 | -172.1 | 179.2 | 15 | 0 | 0 | 109.2 | L271 | L271-Q273 PolarHBondContact O-N 3.14Å; L271-Q273 VanDerWaalsContact O-N 3.07Å | ||
| 274 | D | 34 | Very low | 40.7 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 134.1 | 162.2 | -78.2 | -70.4 | 0 | 0 | 0 | 109 | K272 | K272-D274 VanDerWaalsContact C-N 3.34Å; K272-D274 PolarHBondContact O-N 3.31Å | ||
| 275 | G | 36.1 | Very low | 40 | Very low | 65 Ų | 65 | 145.2 Ų | 145.2 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -113.7 | -160 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 276 | S | 33.1 | Very low | 39.9 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 81.7 | 142.7 | -179.7 | -157.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 277 | P | 49.3 | Very low | 40.1 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -122.4 | -177.7 | -21.9 | 27.1 | -6.4 | 0 | 0 | 0 | 113.2 | ||||
| 278 | D | 39.4 | Very low | 40 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -59.7 | 152 | 170.7 | -153.6 | -2.2 | 0 | 0 | 0 | 112.9 | ||||
| 279 | L | 41.8 | Very low | 39.6 | Very low | 165 Ų | 165 | 154 Ų | 154 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -152.1 | 117.5 | 166.4 | -169.5 | 63.8 | 0 | 0 | 0 | 111.7 | ||||
| 280 | E | 36.4 | Very low | 39.8 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -74.2 | -178.6 | 177.4 | -80.3 | -149.1 | 97.1 | 0 | 0 | 114.1 | ||||
| 281 | K | 36.5 | Very low | 39.4 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 162.4 | -162.2 | -62.7 | 158.8 | -175.8 | 153 | 0 | 114.5 | ||||
| 282 | S | 35.8 | Very low | 39.3 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | 72.8 | 104.8 | 141.8 | 45.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 283 | Y | 35.5 | Very low | 39.2 | Very low | 222 Ų | 222 | 145.8 Ų | 145.8 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | 65.1 | 114 | 121.3 | -108.8 | -91.8 | 0 | 0 | 0 | 120.6 | |||||
| 284 | S | 32.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -156.7 | 160.8 | 137.9 | -85.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 285 | F | 37 | Very low | 39.3 | Very low | 184 Ų | 184 | 144 Ų | 144 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -132.3 | 116.6 | -161.3 | 172.8 | -83.4 | 0 | 0 | 0 | 111 | ||||
| 286 | M | 50.6 | Low | 39.2 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | trans | -164 | 135.3 | 165.4 | -137.3 | 156.6 | 63.8 | 0 | 0 | 112.4 | H288 | M286-H288 WeakPolarHBondContact CE-NE2 3.48Š| ||
| 287 | P | 49.1 | Very low | 39.2 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | trans | -109.7 | 133.3 | 179.4 | 36.8 | -28.5 | 0 | 0 | 0 | 113.6 | ||||
| 288 | H | 41.6 | Very low | 38.7 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -138.9 | 155.8 | 174.5 | -67.7 | -66.4 | 0 | 0 | 0 | 113.7 | M286 | M286-H288 WeakPolarHBondContact CE-NE2 3.48Š| ||
| 289 | Y | 38.3 | Very low | 38.5 | Very low | 225 Ų | 225 | 144.9 Ų | 144.9 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 158 | -172.3 | -86.2 | -111 | 0 | 0 | 0 | 113.5 | ||||
| 290 | P | 47.4 | Very low | 38.6 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -69.6 | 147.7 | 169.1 | 31.6 | -35.4 | 0 | 0 | 0 | 111.4 | ||||
| 291 | S | 34.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -134.5 | 144 | 170.4 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 292 | S | 39.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -79.7 | 143 | -174.1 | -47.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 293 | S | 37.2 | Very low | 39.7 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -136.8 | 118.9 | 165.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 294 | L | 39.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 140 Ų | 140 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -91.5 | 132.2 | 166.6 | -71.8 | 161.7 | 0 | 0 | 0 | 108.4 | ||||
| 295 | S | 35.1 | Very low | 40.3 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -165 | 152.6 | 153.5 | -163.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 296 | S | 33.4 | Very low | 40.3 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -28.9 | 149.9 | 164.5 | -147.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 297 | G | 33.3 | Very low | 39.7 | Very low | 61 Ų | 61 | 134.8 Ų | 134.8 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | cis | 122.6 | 116.3 | 11.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 298 | H | 38 | Very low | 39.6 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -148.5 | 151.7 | 176.7 | -137.7 | 63.2 | 0 | 0 | 0 | 111.7 | ||||
| 299 | V | 34.9 | Very low | 39.8 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -128.6 | 120 | -165.5 | -144.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 300 | H | 43.4 | Very low | 40 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -142.1 | 141.5 | 162.4 | -80.3 | -67.9 | 0 | 0 | 0 | 109.9 | ||||
| 301 | S | 33.8 | Very low | 39.8 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -122.9 | 177.8 | -171.3 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 302 | T | 45 | Very low | 40.3 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | 97.1 | 145.3 | 176.3 | 71.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 303 | P | 54.9 | Low | 40.9 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -128.8 | 164.2 | -142.9 | 41 | -26.1 | 0 | 0 | 0 | 115.6 | ||||
| 304 | F | 36.7 | Very low | 41.3 | Very low | 207 Ų | 207 | 139.6 Ų | 139.6 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -152.6 | 156.4 | 141.7 | -116.6 | -78.6 | 0 | 0 | 0 | 111 | ||||
| 305 | Q | 42.7 | Very low | 41.9 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -88.9 | 143.8 | -173.9 | -61.1 | 169.6 | -55.4 | 0 | 0 | 112.8 | ||||
| 306 | A | 37.4 | Very low | 42.7 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | 164.5 | 129 | 120.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 307 | G | 39.3 | Very low | 43.5 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 158.3 | 111.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 308 | T | 47 | Very low | 44 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -42.3 | 142.2 | 176.8 | 49.1 | 0 | 0 | 0 | 0 | 115.3 | R310 | T308-R310 PolarHBondContact O-N 3.43Š| ||
| 309 | P | 45 | Very low | 44 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 133.2 | 176.8 | 29 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 310 | R | 41.6 | Very low | 44.2 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -88.3 | 136.6 | 158.4 | -67.7 | -174.8 | -176.5 | 166.7 | 2.7 | 108.4 | T308 D312 | T308-R310 PolarHBondContact O-N 3.43Å; R310-D312 PolarHBondContact O-N 3.07Å | ||
| 311 | Y | 44.6 | Very low | 44 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -82.9 | 95 | 166.5 | -73.8 | -91 | 0 | 0 | 0 | 108.7 | ||||
| 312 | D | 44.8 | Very low | 44.4 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -82 | 119.4 | 159.7 | -79.6 | -55.7 | 0 | 0 | 0 | 108.2 | R310 | R310-D312 PolarHBondContact O-N 3.07Š| ||
| 313 | V | 51.6 | Low | 44.6 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | trans | -97.3 | 117.7 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | I315 | V313-I315 HydrophobicContact CG1-CG1 4.25Å; V313-I315 PolarHBondContact O-N 3.16Å | ||
| 314 | P | 46.3 | Very low | 43.9 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -70.2 | 100.1 | 173.7 | -15.6 | 30.6 | 0 | 0 | 0 | 109.9 | D316 | P314-D316 VanDerWaalsContact C-N 3.33Å; P314-D316 PolarHBondContact O-N 3.17Å | ||
| 315 | I | 51.9 | Low | 44.3 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -87.4 | 81.4 | 168.1 | -53.5 | 179.3 | 0 | 0 | 0 | 107.8 | V313 | V313-I315 HydrophobicContact CG1-CG1 4.25Å; V313-I315 PolarHBondContact O-N 3.16Å | ||
| 316 | D | 50.2 | Low | 44.1 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -118.2 | 92.9 | 157.2 | -165.7 | 11.1 | 0 | 0 | 0 | 107.4 | P314 | P314-D316 VanDerWaalsContact C-N 3.33Å; P314-D316 PolarHBondContact O-N 3.17Å | ||
| 317 | M | 51.7 | Low | 44.4 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -135.7 | 95.6 | -172.3 | -172 | 160 | 173.9 | 0 | 0 | 108.5 | Y319 | M317-Y319 PolarHBondContact O-N 3.13Å; M317-Y319 VanDerWaalsContact O-N 3.16Å | ||
| 318 | S | 42.8 | Very low | 44.3 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -50.2 | 116 | -178.9 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | D320 | S318-D320 PolarHBondContact O-N 3.18Å; S318-D320 VanDerWaalsContact O-N 3.09Å | ||
| 319 | Y | 37.5 | Very low | 44.2 | Very low | 217 Ų | 217 | 147.6 Ų | 147.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -79.1 | 94.8 | -178.4 | -171.8 | -93.2 | 0 | 0 | 0 | 110.4 | M317 | M317-Y319 PolarHBondContact O-N 3.13Å; M317-Y319 VanDerWaalsContact O-N 3.16Å | ||
| 320 | D | 40.6 | Very low | 44.1 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 129.2 | 177.8 | -142.1 | -22 | 0 | 0 | 0 | 110.8 | S318 Y322 | S318-D320 PolarHBondContact O-N 3.18Å; S318-D320 VanDerWaalsContact O-N 3.09Å; D320-Y322 PolarHBondContact O-N 3.43Å | ||
| 321 | S | 38.7 | Very low | 44.4 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -98.4 | 95.6 | -160.8 | -162.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 322 | Y | 41.9 | Very low | 44.2 | Very low | 212 Ų | 212 | 143.7 Ų | 143.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.8 | 176.9 | -94 | -95.8 | 0 | 0 | 0 | 112.1 | D320 | D320-Y322 PolarHBondContact O-N 3.43Š|
| 323 | P | 50.3 | Low | 44.2 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 143.3 | -170.3 | 29.3 | -35.5 | 0 | 0 | 0 | 113.6 | H325 | P323-H325 PolarHBondContact O-N 2.81Š|
| 324 | H | 38.9 | Very low | 43.8 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.4 | 167.1 | -96.5 | -82.2 | 0 | 0 | 0 | 111 | G326 | H324-G326 PolarHBondContact O-N 3.4Å; H324-G326 VanDerWaalsContact O-N 3.14Å |
| 325 | H | 46.2 | Very low | 43.5 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 102 | 165.8 | 30.7 | -88.7 | 0 | 0 | 0 | 109.3 | P323 | P323-H325 PolarHBondContact O-N 2.81Š| ||
| 326 | G | 38.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -68.9 | 132.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H324 G328 | H324-G326 PolarHBondContact O-N 3.4Å; H324-G326 VanDerWaalsContact O-N 3.14Å; G326-G328 PolarHBondContact O-N 3.07Å; G326-G328 VanDerWaalsContact O-N 3.11Å | ||
| 327 | I | 42.4 | Very low | 42.9 | Very low | 173 Ų | 173 | 150 Ų | 150 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -76.5 | 98.9 | 177.4 | -60.9 | 173.9 | 0 | 0 | 0 | 108.8 | ||||
| 328 | G | 37.8 | Very low | 42.5 | Very low | 69 Ų | 69 | 149.2 Ų | 149.2 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -85.5 | 142.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | G326 | G326-G328 PolarHBondContact O-N 3.07Å; G326-G328 VanDerWaalsContact O-N 3.11Å | ||
| 329 | T | 43.9 | Very low | 42.5 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -95 | 169.6 | 177.4 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 330 | Q | 43.4 | Very low | 42.7 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 74.4 | 140.1 | -176.3 | -42.3 | -72.7 | 19.9 | 0 | 0 | 112.8 | ||||
| 331 | L | 47.3 | Very low | 42.9 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | cis | -137.1 | -179.6 | 26.3 | -84.1 | 169.4 | 0 | 0 | 0 | 114.1 | ||||
| 332 | N | 40.8 | Very low | 43.1 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -99.8 | 158.9 | -175.7 | -92.9 | -43.2 | 0 | 0 | 0 | 114.5 | ||||
| 333 | T | 44.4 | Very low | 43.2 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 78.7 | 154.6 | 152.2 | -53.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 334 | V | 43 | Very low | 42.7 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 71% | 0.709 | 82% | 0.821 | S | S | * | * | trans | 62.2 | 140.9 | 178.2 | -85.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 335 | F | 41.2 | Very low | 43 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 82% | 0.82 | 82% | 0.818 | S | S | * | * | cis | -127.3 | 158.9 | 5.7 | -121.5 | -80.6 | 0 | 0 | 0 | 112 | ||||
| 336 | T | 46.3 | Very low | 42.7 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | -115.1 | 116.4 | 162.6 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 337 | E | 43.2 | Very low | 43.1 | Very low | 268 Ų | 268 | 151.1 Ų | 151.1 | 100% | 1.252 | 83% | 0.826 | S | S | * | * | trans | -155 | 0 | 142.8 | -157.5 | 169.3 | 157.8 | 0 | 0 | 108.4 |
Retrieved 337 of 337 residues in 63.4 ms
(Link to these results)