| 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 | 32.4 | Very low | 30.9 | Very low | 245 Ų | 245 | 164.8 Ų | 164.8 | 100% | 1.207 | 82% | 0.823 | S | S | * | * | 0 | 124.8 | 0 | -64.7 | 179.1 | -132.5 | 0 | 0 | 107.7 | |||||
| 2 | S | 27.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 158.7 Ų | 158.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -85.4 | 122.8 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | R | 30.8 | Very low | 30.5 | Very low | 245 Ų | 245 | 162.2 Ų | 162.2 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -100.3 | 113.5 | 165.5 | -75.8 | -171.3 | 174.8 | -165.7 | -1.3 | 107.7 | S5 | R3-S5 PolarHBondContact O-N 3.02Š| ||
| 4 | R | 29.8 | Very low | 30.2 | Very low | 239 Ų | 239 | 162.2 Ų | 162.2 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -71.5 | 122.9 | 167.7 | -76.2 | 178.3 | 168.7 | 176.8 | -4.7 | 108 | G6 | R4-G6 PolarHBondContact O-N 2.71Š| ||
| 5 | S | 32.8 | Very low | 30.1 | Very low | 99 Ų | 99 | 158.2 Ų | 158.2 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -64.8 | 130.2 | 167.9 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | R3 | R3-S5 PolarHBondContact O-N 3.02Š| ||
| 6 | G | 29.7 | Very low | 29.8 | Very low | 60 Ų | 60 | 158.8 Ų | 158.8 | 62% | 0.619 | 82% | 0.823 | S | S | * | * | trans | -84.6 | 114.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R4 L8 | R4-G6 PolarHBondContact O-N 2.71Å; G6-L8 PolarHBondContact O-N 3.17Å | ||
| 7 | R | 29.5 | Very low | 29.6 | Very low | 231 Ų | 231 | 155 Ų | 155 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -59.6 | 104.6 | -179.5 | -165.5 | -179.4 | -164.3 | 176.8 | 4.5 | 110.7 | T9 | R7-T9 PolarHBondContact O-N 2.87Å; R7-T9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | L | 35.7 | Very low | 29.5 | Very low | 133 Ų | 133 | 155.3 Ų | 155.3 | 70% | 0.696 | 82% | 0.823 | S | S | * | * | trans | -73.5 | 98.4 | 177.3 | -76.4 | 166.7 | 0 | 0 | 0 | 110.4 | G6 | G6-L8 PolarHBondContact O-N 3.17Š| ||
| 9 | T | 30 | Very low | 29.4 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 68% | 0.681 | 82% | 0.824 | S | S | * | * | trans | -94.6 | 108 | 169.3 | 51 | 0 | 0 | 0 | 0 | 110.5 | R7 Q11 | R7-T9 PolarHBondContact O-N 2.87Å; R7-T9 VanDerWaalsContact O-N 3.12Å; T9-Q11 PolarHBondContact O-N 3.22Å | ||
| 10 | L | 33.2 | Very low | 29.4 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | -67.3 | 114 | 165.7 | -75.5 | 165.1 | 0 | 0 | 0 | 109.3 | A12 | L10-A12 PolarHBondContact O-N 2.87Š| ||
| 11 | Q | 28.9 | Very low | 29.3 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -72.7 | 125.8 | 171.3 | -77 | -177.8 | -24.8 | 0 | 0 | 110.1 | T9 | T9-Q11 PolarHBondContact O-N 3.22Š| ||
| 12 | A | 27.9 | Very low | 29.1 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -66.9 | 135.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L10 | L10-A12 PolarHBondContact O-N 2.87Š| ||
| 13 | K | 28.5 | Very low | 29 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -91.5 | 113.2 | 165 | -91.6 | -174.2 | 171.3 | -177.9 | 0 | 108.5 | ||||
| 14 | D | 26.8 | Very low | 28.9 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -68 | 137.2 | 167.8 | -72.3 | -45.7 | 0 | 0 | 0 | 110.6 | ||||
| 15 | S | 27.9 | Very low | 28.9 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -102.9 | 112.4 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 16 | N | 26.1 | Very low | 28.6 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | 169.9 | 115.1 | 144.9 | -87.9 | -20.2 | 0 | 0 | 0 | 111.4 | ||||
| 17 | A | 26.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | 175 | 109.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | D | 27.7 | Very low | 28.3 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 40.4 | 123.8 | 146.3 | -53.6 | -26.3 | 0 | 0 | 0 | 123.4 | ||||
| 19 | E | 27.8 | Very low | 27.8 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 157.8 | 161.8 | -65.3 | -171.7 | 141.5 | 0 | 0 | 112.6 | ||||
| 20 | P | 29.1 | Very low | 27.5 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | trans | -127.8 | 137.1 | 130.6 | 35.1 | -27.8 | 0 | 0 | 0 | 113.1 | ||||
| 21 | A | 26.6 | Very low | 27 | Very low | 90 Ų | 90 | 159 Ų | 159 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | trans | -80.9 | 131.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | V | 28.4 | Very low | 26.9 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -134.8 | 127.9 | 159.9 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 23 | R | 25.7 | Very low | 26.9 | Very low | 241 Ų | 241 | 157.3 Ų | 157.3 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -103.8 | 131.3 | 177.8 | -69.5 | 175.6 | 172.1 | 173.8 | -2.2 | 110.3 | ||||
| 24 | E | 27.3 | Very low | 26.7 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -143.1 | 158 | 157.2 | -85.9 | -140.9 | 141.2 | 0 | 0 | 111.9 | ||||
| 25 | P | 31.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 157.7 Ų | 157.7 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | trans | -108.5 | 154.9 | -140.9 | 37.7 | -33.5 | 0 | 0 | 0 | 117.7 | ||||
| 26 | L | 25.8 | Very low | 26.5 | Very low | 176 Ų | 176 | 162.5 Ų | 162.5 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.9 | 173.7 | -72.9 | 117.5 | 0 | 0 | 0 | 113.7 | ||
| 27 | K | 28.9 | Very low | 26.5 | Very low | 211 Ų | 211 | 163.1 Ų | 163.1 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 130 | 165.6 | -74.6 | 179.9 | 178.3 | 171.8 | 0 | 111.5 | ||
| 28 | K | 24.8 | Very low | 26.5 | Very low | 198 Ų | 198 | 167.4 Ų | 167.4 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 146.8 | 175.2 | -74 | 179.5 | 174.7 | 176.3 | 0 | 112.3 | ||
| 29 | R | 24.4 | Very low | 26.6 | Very low | 225 Ų | 225 | 165.6 Ų | 165.6 | 85% | 0.849 | 82% | 0.824 | S | S | * | * | trans | 149.5 | 147.6 | 146.6 | -86.4 | 179.1 | 163 | 172.6 | -2.5 | 108.7 | ||||
| 30 | K | 24.6 | Very low | 26.5 | Very low | 178 Ų | 178 | 161.9 Ų | 161.9 | 77% | 0.774 | 82% | 0.824 | S | S | * | * | cis | -160 | 160 | 8.6 | -129.5 | 171.5 | -177.7 | -171.1 | 0 | 110.2 | ||||
| 31 | S | 23.1 | Very low | 26.7 | Very low | 110 Ų | 110 | 160.5 Ų | 160.5 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -117.3 | 172.2 | 162.9 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 32 | E | 26.6 | Very low | 26.8 | Very low | 117 Ų | 117 | 165.8 Ų | 165.8 | 55% | 0.547 | 83% | 0.83 | S | S | . | * | cis | -141.4 | 173.7 | -2.3 | -150.2 | -161.5 | -106.3 | 0 | 0 | 107.3 | K34 | E32-K34 WeakPolarHBondContact OE1-CE 3.4Å; E32-K34 IonicContact OE1-NZ 2.7Å; E32-K34 PolarHBondContact OE1-NZ 3.43Å; E32-K34 WeakPolarHBondContact OE2-CD 3.46Å; E32-K34 VanDerWaalsContact OE2-CG 3.23Å; E32-K34 WeakPolarHBondContact OE2-CG 3.46Å; E32-K34 PolarHBondContact OE2-N 2.75Å; E32-K34 IonicContact OE2-NZ 3.74Å | ||
| 33 | P | 27.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 168.3 Ų | 168.3 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | -152.3 | 150.3 | 82 | 38.2 | -18.2 | 0 | 0 | 0 | 117.7 | |||||
| 34 | K | 24.2 | Very low | 26.9 | Very low | 164 Ų | 164 | 164.7 Ų | 164.7 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | trans | -68.9 | 142.4 | 166.9 | -69.9 | 153.9 | -179.5 | 127.2 | 0 | 113.1 | E32 | E32-K34 WeakPolarHBondContact OE1-CE 3.4Å; E32-K34 IonicContact OE1-NZ 2.7Å; E32-K34 PolarHBondContact OE1-NZ 3.43Å; E32-K34 WeakPolarHBondContact OE2-CD 3.46Å; E32-K34 VanDerWaalsContact OE2-CG 3.23Å; E32-K34 WeakPolarHBondContact OE2-CG 3.46Å; E32-K34 PolarHBondContact OE2-N 2.75Å; E32-K34 IonicContact OE2-NZ 3.74Å | ||
| 35 | K | 26.2 | Very low | 26.9 | Very low | 211 Ų | 211 | 162.2 Ų | 162.2 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -123.7 | 128.7 | 151.3 | -84.2 | -173.8 | 175 | -179.7 | 0 | 109.5 | ||||
| 36 | K | 24.6 | Very low | 26.8 | Very low | 204 Ų | 204 | 166.5 Ų | 166.5 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -86 | 136.4 | 170.1 | -70.2 | 178 | 174.3 | 179.5 | 0 | 109.5 | ||||
| 37 | L | 25.1 | Very low | 26.7 | Very low | 179 Ų | 179 | 167.2 Ų | 167.2 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -152 | 162.3 | 138.4 | -144.1 | 65.8 | 0 | 0 | 0 | 110.3 | ||||
| 38 | Q | 26.7 | Very low | 26.7 | Very low | 185 Ų | 185 | 164.1 Ų | 164.1 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -94.9 | 174.1 | -158.7 | -97.8 | -172.4 | 16.4 | 0 | 0 | 114.1 | ||||
| 39 | P | 29.6 | Very low | 26.7 | Very low | 123 Ų | 123 | 163.3 Ų | 163.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -86 | 145.6 | -151.3 | 33.9 | -35.8 | 0 | 0 | 0 | 114.3 | ||||
| 40 | A | 26.6 | Very low | 26.9 | Very low | 101 Ų | 101 | 158.6 Ų | 158.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -113.6 | 108.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 41 | A | 32.6 | Very low | 27 | Very low | 100 Ų | 100 | 155 Ų | 155 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 124.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 42 | K | 28.3 | Very low | 27.4 | Very low | 201 Ų | 201 | 161.8 Ų | 161.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -137.7 | 88 | 155.8 | -76.4 | -166.6 | 175.6 | -177.2 | 0 | 109.1 | Q44 | K42-Q44 PolarHBondContact O-N 2.7Š| ||
| 43 | K | 29.2 | Very low | 27.7 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -64.2 | 123.5 | 157.1 | -74.3 | -178.7 | 174.1 | -178 | 0 | 106.8 | N45 | K43-N45 PolarHBondContact O-N 3.43Š| ||
| 44 | Q | 27.6 | Very low | 27.8 | Very low | 165 Ų | 165 | 165 Ų | 165 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | trans | -77.6 | 100.2 | 159.7 | -77.1 | 177.1 | -40.4 | 0 | 0 | 106.6 | K42 | K42-Q44 PolarHBondContact O-N 2.7Š| ||
| 45 | N | 26.8 | Very low | 28 | Very low | 135 Ų | 135 | 165.2 Ų | 165.2 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -71.9 | 129.9 | 168.1 | -73.3 | -3.9 | 0 | 0 | 0 | 108 | K43 | K43-N45 PolarHBondContact O-N 3.43Š| ||
| 46 | Y | 29.9 | Very low | 28.2 | Very low | 200 Ų | 200 | 158.6 Ų | 158.6 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -94.9 | 115.8 | 159.4 | -70.7 | -87.1 | 0 | 0 | 0 | 107.2 | I48 | Y46-I48 PolarHBondContact O-N 3.36Š| ||
| 47 | E | 23.9 | Very low | 28.4 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -90.4 | 103.8 | 179.5 | -154.8 | 159.8 | -130.9 | 0 | 0 | 107.8 | ||||
| 48 | I | 29.5 | Very low | 28.4 | Very low | 147 Ų | 147 | 151 Ų | 151 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | trans | -83.3 | 117.6 | 173.7 | -64.2 | 176.4 | 0 | 0 | 0 | 107 | Y46 T50 | Y46-I48 PolarHBondContact O-N 3.36Å; I48-T50 PolarHBondContact O-N 3.49Å | ||
| 49 | Q | 24.4 | Very low | 28.5 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 91.6 | -173.6 | -157 | 172.7 | 23.2 | 0 | 0 | 110.8 | C51 | Q49-C51 PolarHBondContact O-N 3.05Š| ||
| 50 | T | 28.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -80.5 | 97.1 | 167.1 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | I48 W52 | I48-T50 PolarHBondContact O-N 3.49Å; T50-W52 PolarHBondContact O-N 2.73Å; T50-W52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | C | 27.1 | Very low | 28.6 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 69% | 0.689 | 82% | 0.816 | S | S | * | * | trans | -67.2 | 108.5 | 163.9 | -71.8 | 0 | 0 | 0 | 0 | 109.1 | Q49 | Q49-C51 PolarHBondContact O-N 3.05Š| ||
| 52 | W | 31.9 | Very low | 28.4 | Very low | 253 Ų | 253 | 153.9 Ų | 153.9 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | trans | -167 | 146.1 | 130.3 | -82.5 | 111.9 | 0 | 0 | 0 | 108 | T50 | T50-W52 PolarHBondContact O-N 2.73Å; T50-W52 VanDerWaalsContact O-N 3.15Å | ||
| 53 | S | 32.2 | Very low | 28.3 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -82.1 | 168 | -154 | -52.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 54 | E | 28.7 | Very low | 28.5 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -59.3 | 129.8 | 174.4 | -54.5 | 179.8 | 136 | 0 | 0 | 112.8 | ||||
| 55 | D | 29.2 | Very low | 28.6 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | -163.2 | 160.8 | 117.1 | -115.7 | -35.4 | 0 | 0 | 0 | 112.2 | |||||
| 56 | G | 30.5 | Very low | 28.8 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -72 | 156.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 57 | A | 27.8 | Very low | 29 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -81.2 | 145.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 58 | S | 26.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -153.6 | 161.5 | 162.4 | -104.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 59 | P | 28.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | trans | -79 | 156.9 | -151 | 30 | -36.6 | 0 | 0 | 0 | 115.4 | ||||
| 60 | C | 30.3 | Very low | 29.9 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 91% | 0.905 | 82% | 0.822 | S | S | * | * | trans | -55.9 | 131.6 | -173 | -51 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 61 | I | 26.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -126 | 124.7 | 158.5 | -59.8 | 179.5 | 0 | 0 | 0 | 107 | I63 | I61-I63 HydrophobicContact CG2-CG1 3.95Å; I61-I63 PolarHBondContact O-N 3.23Å | ||
| 62 | L | 29.1 | Very low | 30.4 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -70.9 | 114.7 | 169.5 | -88.8 | 157.9 | 0 | 0 | 0 | 108.6 | ||||
| 63 | I | 26.9 | Very low | 30.7 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -117.9 | 105.9 | 172.6 | -58.2 | 178.7 | 0 | 0 | 0 | 107.7 | I61 T65 | I61-I63 HydrophobicContact CG2-CG1 3.95Å; I61-I63 PolarHBondContact O-N 3.23Å; I63-T65 HydrophobicContact CG2-CG2 4.25Å; I63-T65 PolarHBondContact O-N 3.16Å; I63-T65 PolarHBondContact O-OG1 2.82Å | ||
| 64 | E | 33.6 | Very low | 30.7 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -67 | 125.2 | 167.2 | -67.2 | -176.3 | 152.4 | 0 | 0 | 109.4 | ||||
| 65 | T | 28.9 | Very low | 31.1 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -150.1 | 154.8 | 175.9 | 20.2 | 0 | 0 | 0 | 0 | 110.1 | I63 | I63-T65 HydrophobicContact CG2-CG2 4.25Å; I63-T65 PolarHBondContact O-N 3.16Å; I63-T65 PolarHBondContact O-OG1 2.82Å | ||
| 66 | P | 30.8 | Very low | 31.5 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -106.5 | 170.5 | -115.4 | 1.4 | 19.9 | 0 | 0 | 0 | 114.1 | K68 | P66-K68 PolarHBondContact O-N 3.35Š| |||
| 67 | H | 34.3 | Very low | 31.8 | Very low | 194 Ų | 194 | 137 Ų | 137 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -47.6 | 121 | 172.6 | -54.9 | -75.3 | 0 | 0 | 0 | 112.1 | ||||
| 68 | K | 30.6 | Very low | 32.2 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -135.3 | 101.6 | 165.8 | -142.6 | 176.7 | -171.6 | -179.2 | 0 | 107.5 | P66 L70 | P66-K68 PolarHBondContact O-N 3.35Å; K68-L70 PolarHBondContact O-N 3.45Å | ||
| 69 | E | 32.7 | Very low | 32.8 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -62.9 | 122.2 | 177.5 | -68.2 | 169.7 | 151.7 | 0 | 0 | 108.9 | ||||
| 70 | L | 33.6 | Very low | 33.3 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -101.3 | 103.3 | 168.3 | -84.3 | 162.8 | 0 | 0 | 0 | 107 | K68 | K68-L70 PolarHBondContact O-N 3.45Š| ||
| 71 | E | 31.9 | Very low | 33.8 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 125.3 | 168.7 | -78.8 | -68.1 | 153.9 | 0 | 0 | 110.1 | S73 | E71-S73 PolarHBondContact O-N 2.61Š|
| 72 | P | 34.7 | Very low | 34.1 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.7 | 177.7 | -15.9 | 30 | 0 | 0 | 0 | 111.2 | D74 | P72-D74 PolarHBondContact O-N 3.11Š|
| 73 | S | 37.2 | Very low | 34.5 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -67.9 | 123.4 | 162.3 | -62.6 | 0 | 0 | 0 | 0 | 110 | E71 | E71-S73 PolarHBondContact O-N 2.61Š|
| 74 | D | 33.3 | Very low | 35.2 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 51% | 0.513 | 75% | 0.749 | S | S | . | * | trans | 76.3 | 100.7 | 175.3 | -156.5 | -21.9 | 0 | 0 | 0 | 117.1 | P72 S76 | P72-D74 PolarHBondContact O-N 3.11Å; D74-S76 VanDerWaalsContact CG-OG 3.31Å; D74-S76 PolarHBondContact O-N 3.03Å; D74-S76 VanDerWaalsContact OD1-CB 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.42Å; D74-S76 PolarHBondContact OD1-N 2.61Å; D74-S76 PolarHBondContact OD1-OG 3.42Å; D74-S76 PolarHBondContact OD2-OG 3.22Å | ||
| 75 | P | 35.6 | Very low | 35.4 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -8.7 | 176.6 | -18.9 | 32.4 | 0 | 0 | 0 | 115.4 | ||
| 76 | S | 38.6 | Very low | 36.3 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -5.8 | -166.9 | 68.7 | 0 | 0 | 0 | 0 | 115.7 | D74 | D74-S76 VanDerWaalsContact CG-OG 3.31Å; D74-S76 PolarHBondContact O-N 3.03Å; D74-S76 VanDerWaalsContact OD1-CB 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.42Å; D74-S76 PolarHBondContact OD1-N 2.61Å; D74-S76 PolarHBondContact OD1-OG 3.42Å; D74-S76 PolarHBondContact OD2-OG 3.22Å |
| 77 | S | 36.3 | Very low | 37 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -94.6 | -15.2 | -178.5 | 64.1 | 0 | 0 | 0 | 0 | 115 | K79 | S77-K79 PolarHBondContact O-N 2.92Š|
| 78 | F | 35.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | trans | -76 | 91.7 | 175.8 | -88.6 | -93.4 | 0 | 0 | 0 | 111.2 | Q80 | F78-Q80 PolarHBondContact O-N 3.49Š| ||
| 79 | K | 40.3 | Very low | 39.3 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 81% | 0.809 | 71% | 0.707 | S | S | * | * | trans | -61.8 | 88.9 | 157.1 | -80 | -171.2 | 178 | -179.4 | 0 | 109.4 | S77 Y81 | S77-K79 PolarHBondContact O-N 2.92Å; K79-Y81 PolarHBondContact O-N 3.49Å | ||
| 80 | Q | 39 | Very low | 41.4 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | 16.2 | 68.1 | 152.1 | -163 | 172 | 8.1 | 0 | 0 | 116 | F78 Q82 | F78-Q80 PolarHBondContact O-N 3.49Å; Q80-Q82 HydrophobicContact CG-CG 4Å; Q80-Q82 PolarHBondContact O-N 3.24Å | ||
| 81 | Y | 40.4 | Very low | 44.1 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | trans | -70.6 | 76.4 | 158.1 | -74 | -81.9 | 0 | 0 | 0 | 107.9 | K79 F83 | K79-Y81 PolarHBondContact O-N 3.49Å; Y81-F83 VanDerWaalsContact C-N 3.27Å; Y81-F83 PolarHBondContact O-N 2.76Å | ||
| 82 | Q | 33.7 | Very low | 46.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | trans | -62.2 | 99.8 | 158.9 | -90.9 | -176.1 | -11.4 | 0 | 0 | 106.8 | Q80 K84 | Q80-Q82 HydrophobicContact CG-CG 4Å; Q80-Q82 PolarHBondContact O-N 3.24Å; Q82-K84 PolarHBondContact O-N 3.14Å | ||
| 83 | F | 36.6 | Very low | 49.7 | Very low | 189 Ų | 189 | 117.5 Ų | 117.5 | 83% | 0.829 | 61% | 0.606 | S | S | * | * | trans | -60.1 | 80.1 | 153 | -79.7 | -92.7 | 0 | 0 | 0 | 107.5 | Y81 N85 | Y81-F83 VanDerWaalsContact C-N 3.27Å; Y81-F83 PolarHBondContact O-N 2.76Å; F83-N85 VanDerWaalsContact C-N 3.29Å; F83-N85 PolarHBondContact O-N 3.11Å | ||
| 84 | K | 42 | Very low | 52.3 | Low | 129 Ų | 129 | 113.7 Ų | 113.7 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | trans | -60.4 | 103.8 | 158.7 | -75.9 | -171.6 | 177.4 | -175.8 | 0 | 104.4 | Q82 L86 | Q82-K84 PolarHBondContact O-N 3.14Å; K84-L86 PolarHBondContact O-N 3.27Å | ||
| 85 | N | 37 | Very low | 55 | Low | 124 Ų | 124 | 115 Ų | 115 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | trans | -48.9 | 110.3 | 173.2 | -79.1 | -46.2 | 0 | 0 | 0 | 107.5 | F83 F87 | F83-N85 VanDerWaalsContact C-N 3.29Å; F83-N85 PolarHBondContact O-N 3.11Å; N85-F87 HydrophobicContact CB-CD2 3.83Å; N85-F87 HydrophobicContact CB-CE2 3.71Å; N85-F87 HydrophobicContact CB-CZ 4.45Å; N85-F87 WeakPolarHBondContact O-CD2 3.49Å; N85-F87 PolarHBondContact O-N 3.48Å | ||
| 86 | L | 47.7 | Very low | 57.6 | Low | 132 Ų | 132 | 110.3 Ų | 110.3 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | trans | -69.8 | 69.4 | 166.2 | -76.4 | 161.9 | 0 | 0 | 0 | 106.7 | K84 I88 | K84-L86 PolarHBondContact O-N 3.27Å; L86-I88 PolarHBondContact O-N 2.84Å | ||
| 87 | F | 46.4 | Very low | 60.1 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | trans | -48.9 | 115.9 | 154.5 | -73.5 | -78.8 | 0 | 0 | 0 | 105.1 | N85 K89 | N85-F87 HydrophobicContact CB-CD2 3.83Å; N85-F87 HydrophobicContact CB-CE2 3.71Å; N85-F87 HydrophobicContact CB-CZ 4.45Å; N85-F87 WeakPolarHBondContact O-CD2 3.49Å; N85-F87 PolarHBondContact O-N 3.48Å; F87-K89 PolarHBondContact O-N 3.11Å | ||
| 88 | I | 51.2 | Low | 62.8 | Low | 133 Ų | 133 | 113.3 Ų | 113.3 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | trans | -64.5 | 92.8 | -171.9 | -58 | 172.7 | 0 | 0 | 0 | 106.7 | L86 | L86-I88 PolarHBondContact O-N 2.84Š| ||
| 89 | K | 62.1 | Low | 65.6 | Low | 101 Ų | 101 | 107.7 Ų | 107.7 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 136.4 | 163.8 | -67 | -172.1 | -179.2 | -172.6 | 0 | 105.9 | F87 S91 G306 | F87-K89 PolarHBondContact O-N 3.11Å; K89-S91 PolarHBondContact O-N 3.18Å; K89-G306 PolarHBondContact NZ-O 2.86Å |
| 90 | A | 76.8 | Confident | 68.1 | Low | 86 Ų | 86 | 101.2 Ų | 101.2 | 71% | 0.711 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 136.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 91 | S | 88.9 | Confident | 70.8 | Confident | 17 Ų | 17 | 95 Ų | 95 | 12% | 0.119 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 134 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | K89 I93 S101 D102 W105 | K89-S91 PolarHBondContact O-N 3.18Å; S91-I93 PolarHBondContact O-N 2.98Å; S91-I93 WeakPolarHBondContact OG-CB 3.47Å; S91-I93 PolarHBondContact OG-N 3.24Å; S91-I93 VanDerWaalsContact OG-N 3.17Å; S91-S101 WeakPolarHBondContact CB-O 3.37Å; S91-S101 PolarHBondContact OG-O 3.13Å; S91-D102 WeakPolarHBondContact CB-OD1 3.39Å; S91-D102 PolarHBondContact N-OD1 3.06Å; S91-W105 VanDerWaalsContact OG-CB 3.27Å; S91-W105 WeakPolarHBondContact OG-CB 3.43Å |
| 92 | P | 91.9 | Very high | 73.3 | Confident | 21 Ų | 21 | 88.5 Ų | 88.5 | 14% | 0.136 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -70.4 | -14.8 | 170.9 | 31.7 | -34.8 | 0 | 0 | 0 | 111.5 | W105 V244 K303 V304 | P92-W105 HydrophobicContact CG-CD2 3.98Å; P92-W105 HydrophobicContact CG-CE3 3.75Å; P92-W105 HydrophobicContact CG-CH2 3.57Å; P92-W105 HydrophobicContact CG-CZ2 3.8Å; P92-W105 HydrophobicContact CG-CZ3 3.5Å; P92-V244 WeakPolarHBondContact O-CG1 3.29Å; P92-K303 VanDerWaalsContact CB-O 3.3Å; P92-K303 WeakPolarHBondContact CB-O 3.21Å; P92-V304 WeakPolarHBondContact CB-O 3.34Å; P92-V304 WeakPolarHBondContact CG-O 3.45Å |
| 93 | I | 92.6 | Very high | 76.1 | Confident | 7 Ų | 7 | 86.8 Ų | 86.8 | 4% | 0.036 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -73 | 130.3 | 177.9 | -51.3 | -178.6 | 0 | 0 | 0 | 108.8 | S91 L96 S101 V104 W105 M108 L240 F253 | S91-I93 PolarHBondContact O-N 2.98Å; S91-I93 WeakPolarHBondContact OG-CB 3.47Å; S91-I93 PolarHBondContact OG-N 3.24Å; S91-I93 VanDerWaalsContact OG-N 3.17Å; I93-L96 HydrophobicContact CG2-CD1 4.05Å; I93-L96 HydrophobicContact CG2-CD2 3.81Å; I93-L96 HydrophobicContact CG2-CG 4.03Å; I93-S101 VanDerWaalsContact O-CB 3.31Å; I93-S101 WeakPolarHBondContact O-CB 3.35Å; I93-V104 HydrophobicContact CD1-CG1 3.89Å; I93-W105 HydrophobicContact CD1-CB 4.19Å; I93-W105 HydrophobicContact CD1-CE3 4.01Å; I93-W105 HydrophobicContact CG1-CE3 4.04Å; I93-M108 HydrophobicContact CD1-SD 4.39Å; I93-L240 HydrophobicContact CD1-CD1 4.25Å; I93-L240 HydrophobicContact CD1-CD2 4.39Å; I93-L240 HydrophobicContact CG1-CD1 4.29Å; I93-L240 HydrophobicContact CG1-CD2 4.49Å; I93-F253 HydrophobicContact CG2-CE1 3.94Å; I93-F253 HydrophobicContact CG2-CZ 4.01Å |
| 94 | P | 92 | Very high | 78.9 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 166.5 | 175.1 | 29.8 | -38.4 | 0 | 0 | 0 | 111.8 | L96 S101 Q247 F253 | P94-L96 WeakPolarHBondContact O-CG 3.46Å; P94-L96 PolarHBondContact O-N 3.13Å; P94-L96 VanDerWaalsContact O-N 3.16Å; P94-S101 WeakPolarHBondContact O-CB 3.37Å; P94-Q247 HydrophobicContact CG-CG 4.22Å; P94-F253 HydrophobicContact CG-CD2 3.4Å; P94-F253 HydrophobicContact CG-CE2 3.7Å; P94-F253 HydrophobicContact CG-CG 4.02Å |
| 95 | C | 89.9 | Confident | 81.4 | Confident | 124 Ų | 124 | 73.7 Ų | 73.7 | 84% | 0.838 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 121.9 | 174.7 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 96 | L | 90.8 | Very high | 84.1 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 144.9 | -178.6 | -57.1 | 170 | 0 | 0 | 0 | 110.3 | I93 P94 W98 A99 V104 F253 | I93-L96 HydrophobicContact CG2-CD1 4.05Å; I93-L96 HydrophobicContact CG2-CD2 3.81Å; I93-L96 HydrophobicContact CG2-CG 4.03Å; P94-L96 WeakPolarHBondContact O-CG 3.46Å; P94-L96 PolarHBondContact O-N 3.13Å; P94-L96 VanDerWaalsContact O-N 3.16Å; L96-W98 VanDerWaalsContact C-N 3.27Å; L96-W98 HydrophobicContact CD1-CH2 3.98Å; L96-W98 HydrophobicContact CD1-CZ2 3.64Å; L96-W98 HydrophobicContact CD2-CZ2 4.37Å; L96-W98 HydrophobicContact CG-CZ2 4.46Å; L96-W98 PolarHBondContact O-N 3.41Å; L96-A99 WeakPolarHBondContact CB-O 3.47Å; L96-V104 HydrophobicContact CD1-CB 4.17Å; L96-V104 HydrophobicContact CD1-CG1 4.37Å; L96-V104 HydrophobicContact CD1-CG2 3.82Å; L96-F253 HydrophobicContact CD2-CB 4.22Å; L96-F253 HydrophobicContact CD2-CD1 3.58Å; L96-F253 HydrophobicContact CD2-CE1 4.22Å; L96-F253 HydrophobicContact CD2-CG 4.05Å |
| 97 | S | 90.8 | Very high | 86.3 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 83% | 0.832 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -74.6 | -15.7 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 114 | ||
| 98 | W | 92.4 | Very high | 88.7 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 53% | 0.527 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -118.1 | -9.4 | -168.7 | 55.2 | -95.1 | 0 | 0 | 0 | 114.7 | L96 V104 L254 | L96-W98 VanDerWaalsContact C-N 3.27Å; L96-W98 HydrophobicContact CD1-CH2 3.98Å; L96-W98 HydrophobicContact CD1-CZ2 3.64Å; L96-W98 HydrophobicContact CD2-CZ2 4.37Å; L96-W98 HydrophobicContact CG-CZ2 4.46Å; L96-W98 PolarHBondContact O-N 3.41Å; W98-V104 HydrophobicContact CH2-CG1 4.14Å; W98-V104 HydrophobicContact CH2-CG2 3.59Å; W98-V104 HydrophobicContact CZ3-CG2 3.65Å; W98-L254 HydrophobicContact CZ2-CD2 4.45Å |
| 99 | A | 94.3 | Very high | 90.7 | Very high | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -162.8 | 173 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L96 V104 | L96-A99 WeakPolarHBondContact CB-O 3.47Å; A99-V104 HydrophobicContact CB-CG2 3.72Å |
| 100 | S | 94.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | trans | -70.6 | 131.8 | 162.8 | 170 | 0 | 0 | 0 | 0 | 110.3 | D102 D103 V104 | S100-D102 VanDerWaalsContact C-N 3.3Å; S100-D102 PolarHBondContact O-N 3.19Å; S100-D102 PolarHBondContact OG-N 3.38Å; S100-D103 WeakPolarHBondContact CB-OD2 3.26Å; S100-D103 PolarHBondContact O-N 3.12Å; S100-D103 PolarHBondContact OG-N 3.16Å; S100-V104 WeakPolarHBondContact O-CG2 3.29Å; S100-V104 PolarHBondContact O-N 3.25Å; S100-V104 VanDerWaalsContact O-N 3.1Å | ||
| 101 | S | 93.7 | Very high | 93 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67 | -30.4 | 177.3 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | S91 I93 P94 W105 | S91-S101 WeakPolarHBondContact CB-O 3.37Å; S91-S101 PolarHBondContact OG-O 3.13Å; I93-S101 VanDerWaalsContact O-CB 3.31Å; I93-S101 WeakPolarHBondContact O-CB 3.35Å; P94-S101 WeakPolarHBondContact O-CB 3.37Å; S101-W105 VanDerWaalsContact O-CB 3.29Å; S101-W105 WeakPolarHBondContact O-CB 3.47Å; S101-W105 PolarHBondContact O-N 2.79Å; S101-W105 VanDerWaalsContact O-N 3.12Å |
| 102 | D | 93.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.4 | -43.3 | 173.4 | -67.3 | -42.8 | 0 | 0 | 0 | 111.3 | S91 S100 V104 W105 I106 | S91-D102 WeakPolarHBondContact CB-OD1 3.39Å; S91-D102 PolarHBondContact N-OD1 3.06Å; S100-D102 VanDerWaalsContact C-N 3.3Å; S100-D102 PolarHBondContact O-N 3.19Å; S100-D102 PolarHBondContact OG-N 3.38Å; D102-V104 PolarHBondContact O-N 3.29Å; D102-W105 PolarHBondContact O-N 2.97Å; D102-I106 WeakPolarHBondContact O-CB 3.39Å; D102-I106 VanDerWaalsContact O-CG1 3.24Å; D102-I106 WeakPolarHBondContact O-CG1 3.33Å; D102-I106 PolarHBondContact O-N 2.76Å |
| 103 | D | 94.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 178.4 | -72.6 | -28.1 | 0 | 0 | 0 | 112.1 | S100 K107 | S100-D103 WeakPolarHBondContact CB-OD2 3.26Å; S100-D103 PolarHBondContact O-N 3.12Å; S100-D103 PolarHBondContact OG-N 3.16Å; D103-K107 WeakPolarHBondContact O-CB 3.48Å; D103-K107 WeakPolarHBondContact O-CD 3.29Å; D103-K107 WeakPolarHBondContact O-CG 3.39Å; D103-K107 PolarHBondContact O-N 3.22Å |
| 104 | V | 94.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 69.6 Ų | 69.6 | 14% | 0.139 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 176 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | I93 L96 W98 A99 S100 D102 K107 M108 | I93-V104 HydrophobicContact CD1-CG1 3.89Å; L96-V104 HydrophobicContact CD1-CB 4.17Å; L96-V104 HydrophobicContact CD1-CG1 4.37Å; L96-V104 HydrophobicContact CD1-CG2 3.82Å; W98-V104 HydrophobicContact CH2-CG1 4.14Å; W98-V104 HydrophobicContact CH2-CG2 3.59Å; W98-V104 HydrophobicContact CZ3-CG2 3.65Å; A99-V104 HydrophobicContact CB-CG2 3.72Å; S100-V104 WeakPolarHBondContact O-CG2 3.29Å; S100-V104 PolarHBondContact O-N 3.25Å; S100-V104 VanDerWaalsContact O-N 3.1Å; D102-V104 PolarHBondContact O-N 3.29Å; V104-K107 WeakPolarHBondContact O-CB 3.41Å; V104-K107 PolarHBondContact O-N 3.39Å; V104-M108 HydrophobicContact CG1-SD 4.43Å; V104-M108 WeakPolarHBondContact O-CG 3.34Å; V104-M108 PolarHBondContact O-N 3.17Å |
| 105 | W | 94.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 8% | 0.076 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 178.7 | -179.1 | -112.3 | 0 | 0 | 0 | 112.7 | S91 P92 I93 S101 D102 K107 M108 L109 W237 L240 Y241 S305 | S91-W105 VanDerWaalsContact OG-CB 3.27Å; S91-W105 WeakPolarHBondContact OG-CB 3.43Å; P92-W105 HydrophobicContact CG-CD2 3.98Å; P92-W105 HydrophobicContact CG-CE3 3.75Å; P92-W105 HydrophobicContact CG-CH2 3.57Å; P92-W105 HydrophobicContact CG-CZ2 3.8Å; P92-W105 HydrophobicContact CG-CZ3 3.5Å; I93-W105 HydrophobicContact CD1-CB 4.19Å; I93-W105 HydrophobicContact CD1-CE3 4.01Å; I93-W105 HydrophobicContact CG1-CE3 4.04Å; S101-W105 VanDerWaalsContact O-CB 3.29Å; S101-W105 WeakPolarHBondContact O-CB 3.47Å; S101-W105 PolarHBondContact O-N 2.79Å; S101-W105 VanDerWaalsContact O-N 3.12Å; D102-W105 PolarHBondContact O-N 2.97Å; W105-K107 VanDerWaalsContact C-N 3.29Å; W105-K107 PolarHBondContact O-N 3.3Å; W105-M108 PolarHBondContact O-N 3.13Å; W105-M108 VanDerWaalsContact O-N 3.16Å; W105-L109 HydrophobicContact CZ2-CD1 4.45Å; W105-L109 HydrophobicContact CZ2-CD2 4.25Å; W105-L109 WeakPolarHBondContact O-CG 3.28Å; W105-L109 PolarHBondContact O-N 3.35Å; W105-W237 HydrophobicContact CE3-CZ3 4.34Å; W105-W237 HydrophobicContact CH2-CH2 4.45Å; W105-W237 AromaticContact CH2-CZ3 3.86Å; W105-W237 HydrophobicContact CH2-CZ3 3.86Å; W105-W237 HydrophobicContact CZ3-CH2 4.3Å; W105-W237 AromaticContact CZ3-CZ3 3.58Å; W105-W237 HydrophobicContact CZ3-CZ3 3.58Å; W105-L240 HydrophobicContact CE3-CD2 4.22Å; W105-L240 HydrophobicContact CZ3-CD2 3.74Å; W105-Y241 HydrophobicContact CH2-CE1 4.46Å; W105-S305 WeakPolarHBondContact CH2-O 3.48Å; W105-S305 VanDerWaalsContact CZ2-O 3.27Å; W105-S305 WeakPolarHBondContact CZ2-O 3.44Å |
| 106 | I | 93.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 175.8 | -70.5 | 167 | 0 | 0 | 0 | 111 | D102 N110 | D102-I106 WeakPolarHBondContact O-CB 3.39Å; D102-I106 VanDerWaalsContact O-CG1 3.24Å; D102-I106 WeakPolarHBondContact O-CG1 3.33Å; D102-I106 PolarHBondContact O-N 2.76Å; I106-N110 WeakPolarHBondContact CG2-ND2 3.28Å; I106-N110 WeakPolarHBondContact O-CB 3.39Å; I106-N110 VanDerWaalsContact O-CG 3.27Å; I106-N110 PolarHBondContact O-N 3.5Å; I106-N110 PolarHBondContact O-ND2 2.96Å; I106-N110 VanDerWaalsContact O-ND2 3.09Å |
| 107 | K | 94.3 | Very high | 93.3 | Very high | 145 Ų | 145 | 67.5 Ų | 67.5 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 174.3 | -75.7 | 167.6 | -169.1 | -64.4 | 0 | 112.2 | D103 V104 W105 N110 K111 | D103-K107 WeakPolarHBondContact O-CB 3.48Å; D103-K107 WeakPolarHBondContact O-CD 3.29Å; D103-K107 WeakPolarHBondContact O-CG 3.39Å; D103-K107 PolarHBondContact O-N 3.22Å; V104-K107 WeakPolarHBondContact O-CB 3.41Å; V104-K107 PolarHBondContact O-N 3.39Å; W105-K107 VanDerWaalsContact C-N 3.29Å; W105-K107 PolarHBondContact O-N 3.3Å; K107-N110 PolarHBondContact O-N 3.43Å; K107-K111 WeakPolarHBondContact O-CB 3.38Å; K107-K111 PolarHBondContact O-N 3.15Å |
| 108 | M | 95.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 177 | -68.7 | -177.4 | 73.6 | 0 | 0 | 111.8 | I93 V104 W105 K111 E112 E232 W237 L240 | I93-M108 HydrophobicContact CD1-SD 4.39Å; V104-M108 HydrophobicContact CG1-SD 4.43Å; V104-M108 WeakPolarHBondContact O-CG 3.34Å; V104-M108 PolarHBondContact O-N 3.17Å; W105-M108 PolarHBondContact O-N 3.13Å; W105-M108 VanDerWaalsContact O-N 3.16Å; M108-K111 WeakPolarHBondContact O-CB 3.22Å; M108-K111 PolarHBondContact O-N 3.42Å; M108-E112 PolarHBondContact O-N 2.95Å; M108-E232 HydrophobicContact CB-CG 4.31Å; M108-E232 HydrophobicContact CE-CG 4.19Å; M108-E232 HydrophobicContact CG-CG 4.47Å; M108-W237 HydrophobicContact CB-CH2 3.86Å; M108-W237 HydrophobicContact CB-CZ2 4.34Å; M108-W237 HydrophobicContact CE-CE3 4.23Å; M108-W237 HydrophobicContact CE-CH2 4.28Å; M108-W237 HydrophobicContact CE-CZ3 4.03Å; M108-L240 HydrophobicContact CE-CD2 3.9Å; M108-L240 HydrophobicContact SD-CD2 4.06Å |
| 109 | L | 93.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.5 | -67.6 | 177.4 | 0 | 0 | 0 | 112.3 | W105 K111 E112 L113 W237 | W105-L109 HydrophobicContact CZ2-CD1 4.45Å; W105-L109 HydrophobicContact CZ2-CD2 4.25Å; W105-L109 WeakPolarHBondContact O-CG 3.28Å; W105-L109 PolarHBondContact O-N 3.35Å; L109-K111 VanDerWaalsContact C-N 3.25Å; L109-K111 PolarHBondContact O-N 3.02Å; L109-E112 PolarHBondContact O-N 2.99Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 3.02Å; L109-W237 HydrophobicContact CD2-CH2 4.03Å |
| 110 | N | 93.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -30.6 | 176.5 | -74.8 | -33.6 | 0 | 0 | 0 | 112.7 | I106 K107 K114 | I106-N110 WeakPolarHBondContact CG2-ND2 3.28Å; I106-N110 WeakPolarHBondContact O-CB 3.39Å; I106-N110 VanDerWaalsContact O-CG 3.27Å; I106-N110 PolarHBondContact O-N 3.5Å; I106-N110 PolarHBondContact O-ND2 2.96Å; I106-N110 VanDerWaalsContact O-ND2 3.09Å; K107-N110 PolarHBondContact O-N 3.43Å; N110-K114 PolarHBondContact O-N 3.48Å |
| 111 | K | 93.9 | Very high | 93 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 27% | 0.274 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | 174.7 | -154.8 | -158.5 | -145.8 | -159.3 | 0 | 110.7 | K107 M108 L109 L113 K114 Y115 C230 P231 E232 | K107-K111 WeakPolarHBondContact O-CB 3.38Å; K107-K111 PolarHBondContact O-N 3.15Å; M108-K111 WeakPolarHBondContact O-CB 3.22Å; M108-K111 PolarHBondContact O-N 3.42Å; L109-K111 VanDerWaalsContact C-N 3.25Å; L109-K111 PolarHBondContact O-N 3.02Å; K111-L113 PolarHBondContact O-N 2.84Å; K111-K114 PolarHBondContact O-N 3.01Å; K111-K114 VanDerWaalsContact O-N 3.16Å; K111-Y115 HydrophobicContact CG-CD2 4.41Å; K111-Y115 HydrophobicContact CG-CE2 4.17Å; K111-Y115 VanDerWaalsContact O-CD2 3.24Å; K111-Y115 WeakPolarHBondContact O-CD2 3.41Å; K111-Y115 PolarHBondContact O-N 2.92Å; K111-C230 WeakPolarHBondContact CD-O 3.46Å; K111-C230 WeakPolarHBondContact CE-O 3.3Å; K111-C230 PolarHBondContact NZ-O 3.06Å; K111-P231 PolarHBondContact NZ-O 3.32Å; K111-P231 VanDerWaalsContact NZ-O 3.09Å; K111-E232 HydrophobicContact CB-CG 4.34Å; K111-E232 HydrophobicContact CD-CG 3.62Å; K111-E232 WeakPolarHBondContact CD-OE1 3.29Å; K111-E232 VanDerWaalsContact CE-OE1 3.27Å; K111-E232 WeakPolarHBondContact CE-OE1 3.47Å; K111-E232 IonicContact NZ-OE1 2.65Å; K111-E232 PolarHBondContact NZ-OE1 3.02Å |
| 112 | E | 93.4 | Very high | 93 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 173.5 | -178.3 | 167.9 | -131.1 | 0 | 0 | 111.3 | M108 L109 K114 Y115 W237 S283 Y284 S285 | M108-E112 PolarHBondContact O-N 2.95Å; L109-E112 PolarHBondContact O-N 2.99Å; E112-K114 PolarHBondContact O-N 3.02Å; E112-Y115 PolarHBondContact O-N 3.11Å; E112-Y115 VanDerWaalsContact O-N 3.11Å; E112-W237 HydrophobicContact CB-CZ2 4.28Å; E112-S283 WeakPolarHBondContact OE1-CB 3.33Å; E112-Y284 PolarHBondContact OE1-N 2.95Å; E112-S285 WeakPolarHBondContact OE1-CB 2.85Å; E112-S285 PolarHBondContact OE1-N 3.34Å; E112-S285 PolarHBondContact OE1-OG 3.46Å; E112-S285 VanDerWaalsContact OE2-CB 3.28Å; E112-S285 WeakPolarHBondContact OE2-CB 3.34Å; E112-S285 PolarHBondContact OE2-OG 3Å |
| 113 | L | 92.1 | Very high | 93.1 | Very high | 122 Ų | 122 | 64 Ų | 64 | 64% | 0.639 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.1 | -26.6 | 176.6 | -67.3 | 175 | 0 | 0 | 0 | 114.1 | L109 K111 | L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 3.02Å; K111-L113 PolarHBondContact O-N 2.84Å |
| 114 | K | 94 | Very high | 93.1 | Very high | 129 Ų | 129 | 63.7 Ų | 63.7 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77.3 | -28.7 | 176.9 | 175.7 | 177.2 | 173.6 | -176.7 | 0 | 112.8 | N110 K111 E112 V116 N228 | N110-K114 PolarHBondContact O-N 3.48Å; K111-K114 PolarHBondContact O-N 3.01Å; K111-K114 VanDerWaalsContact O-N 3.16Å; E112-K114 PolarHBondContact O-N 3.02Å; K114-V116 PolarHBondContact O-N 3.03Å; K114-N228 WeakPolarHBondContact CE-OD1 3.38Å; K114-N228 PolarHBondContact NZ-OD1 2.71Å |
| 115 | Y | 94.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -102.2 | 84.3 | -173.2 | -77.2 | -111.3 | 0 | 0 | 0 | 109.7 | K111 E112 R163 N228 L229 C230 P231 | K111-Y115 HydrophobicContact CG-CD2 4.41Å; K111-Y115 HydrophobicContact CG-CE2 4.17Å; K111-Y115 VanDerWaalsContact O-CD2 3.24Å; K111-Y115 WeakPolarHBondContact O-CD2 3.41Å; K111-Y115 PolarHBondContact O-N 2.92Å; E112-Y115 PolarHBondContact O-N 3.11Å; E112-Y115 VanDerWaalsContact O-N 3.11Å; Y115-R163 VanDerWaalsContact CD1-CZ 3.41Å; Y115-N228 HydrophobicContact CE1-CB 3.98Å; Y115-N228 VanDerWaalsContact CE1-O 3.31Å; Y115-N228 WeakPolarHBondContact CE1-O 3.36Å; Y115-L229 PolarHBondContact OH-N 3.26Å; Y115-C230 VanDerWaalsContact CZ-O 3.31Å; Y115-C230 PolarHBondContact OH-N 3.17Å; Y115-C230 PolarHBondContact OH-O 3.16Å; Y115-P231 HydrophobicContact CD1-CB 3.59Å; Y115-P231 HydrophobicContact CD1-CG 4.4Å; Y115-P231 HydrophobicContact CE1-CB 4.03Å; Y115-P231 HydrophobicContact CE1-CG 4.5Å; Y115-P231 VanDerWaalsContact CE1-N 3.32Å; Y115-P231 HydrophobicContact CG-CB 4.05Å |
| 116 | V | 89.5 | Confident | 93.3 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | trans | -81.6 | 127.4 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | K114 | K114-V116 PolarHBondContact O-N 3.03Š| ||
| 117 | H | 90.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | trans | -119.2 | 147.3 | 165.7 | 53.7 | -96.1 | 0 | 0 | 0 | 110.1 | L280 Y282 Y284 | H117-L280 HydrophobicContact CB-CD2 4.35Å; H117-Y282 PolarHBondContact NE2-O 3.18Å; H117-Y284 AromaticContact CE1-CD1 3.45Å; H117-Y284 VanDerWaalsContact CE1-CD1 3.45Å; H117-Y284 WeakPolarHBondContact CE1-CD1 3.23Å; H117-Y284 AromaticContact CE1-CE1 3.41Å; H117-Y284 VanDerWaalsContact CE1-CE1 3.41Å; H117-Y284 WeakPolarHBondContact CE1-CE1 3.33Å; H117-Y284 AromaticContact CE1-CG 3.81Å; H117-Y284 AromaticContact CE1-CZ 3.72Å; H117-Y284 AromaticContact ND1-CE1 3.59Å; H117-Y284 AromaticContact ND1-CE2 3.79Å; H117-Y284 AromaticContact ND1-CZ 3.45Å; H117-Y284 AromaticContact NE2-CD1 3.92Å; H117-Y284 AromaticContact NE2-CE1 3.84Å | ||
| 118 | D | 88.7 | Confident | 93.5 | Very high | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | trans | -159.7 | 130.3 | -178.2 | 176.5 | 2.5 | 0 | 0 | 0 | 108.8 | S120 Y121 L166 | D118-S120 PolarHBondContact O-N 2.97Å; D118-S120 WeakPolarHBondContact OD1-CB 3.45Å; D118-S120 PolarHBondContact OD1-N 3.47Å; D118-S120 PolarHBondContact OD1-OG 2.87Å; D118-S120 WeakPolarHBondContact OD2-CB 3.3Å; D118-S120 PolarHBondContact OD2-OG 3.23Å; D118-Y121 WeakPolarHBondContact O-CD1 3.43Å; D118-L166 HydrophobicContact CB-CD1 4.48Å; D118-L166 HydrophobicContact CB-CD2 4.25Å | ||
| 119 | K | 92.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.6 | 175.8 | 65 | -175.2 | -167.5 | -164.3 | 0 | 114.5 | Y121 M122 I277 N278 L280 D281 | K119-Y121 PolarHBondContact O-N 3.27Å; K119-Y121 VanDerWaalsContact O-N 3.07Å; K119-M122 WeakPolarHBondContact O-CB 3.41Å; K119-M122 PolarHBondContact O-N 2.63Å; K119-I277 HydrophobicContact CB-CD1 4.07Å; K119-I277 HydrophobicContact CB-CG1 3.71Å; K119-N278 PolarHBondContact NZ-OD1 3.33Å; K119-L280 HydrophobicContact CB-CB 4.18Å; K119-L280 HydrophobicContact CB-CD1 4.34Å; K119-D281 VanDerWaalsContact CD-OD1 3.25Å; K119-D281 WeakPolarHBondContact CD-OD1 3.19Å; K119-D281 WeakPolarHBondContact CE-OD1 3.46Å; K119-D281 IonicContact NZ-OD1 3.63Å; K119-D281 PolarHBondContact NZ-OD1 3.44Å; K119-D281 IonicContact NZ-OD2 3.48Å; K119-D281 PolarHBondContact NZ-OD2 3.4Å |
| 120 | S | 91.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21 | 177.9 | 72 | 0 | 0 | 0 | 0 | 113.4 | D118 M122 Q123 | D118-S120 PolarHBondContact O-N 2.97Å; D118-S120 WeakPolarHBondContact OD1-CB 3.45Å; D118-S120 PolarHBondContact OD1-N 3.47Å; D118-S120 PolarHBondContact OD1-OG 2.87Å; D118-S120 WeakPolarHBondContact OD2-CB 3.3Å; D118-S120 PolarHBondContact OD2-OG 3.23Å; S120-M122 PolarHBondContact O-N 3.24Å; S120-Q123 VanDerWaalsContact O-CB 3.28Å; S120-Q123 WeakPolarHBondContact O-CB 3.36Å; S120-Q123 WeakPolarHBondContact O-CG 3.48Å; S120-Q123 PolarHBondContact O-N 3.03Å |
| 121 | Y | 92.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -53.2 | -29.9 | 172.1 | 78.5 | -115.6 | 0 | 0 | 0 | 113.1 | D118 K119 Q123 R124 H125 R133 D162 M165 L166 I277 L280 | D118-Y121 WeakPolarHBondContact O-CD1 3.43Å; K119-Y121 PolarHBondContact O-N 3.27Å; K119-Y121 VanDerWaalsContact O-N 3.07Å; Y121-Q123 PolarHBondContact O-N 3.01Å; Y121-Q123 VanDerWaalsContact O-N 3.12Å; Y121-R124 WeakPolarHBondContact O-CA 3.41Å; Y121-R124 WeakPolarHBondContact O-CB 3.49Å; Y121-R124 PolarHBondContact O-N 3.5Å; Y121-H125 AromaticContact CD2-CD2 3.85Å; Y121-H125 PolarHBondContact O-CD2 3.02Å; Y121-H125 PolarHBondContact O-N 3.47Å; Y121-R133 VanDerWaalsContact OH-CD 3.31Å; Y121-R133 WeakPolarHBondContact OH-CD 3.44Å; Y121-D162 HydrophobicContact CE1-CB 4.04Å; Y121-D162 WeakPolarHBondContact CE1-OD1 3.3Å; Y121-D162 PolarHBondContact OH-OD1 3.23Å; Y121-M165 HydrophobicContact CD1-CB 4.31Å; Y121-M165 HydrophobicContact CD2-CB 3.62Å; Y121-M165 HydrophobicContact CE1-CB 4.31Å; Y121-M165 HydrophobicContact CE2-CB 3.65Å; Y121-M165 HydrophobicContact CE2-CG 4.18Å; Y121-M165 HydrophobicContact CG-CB 3.98Å; Y121-L166 HydrophobicContact CD1-CG 4.08Å; Y121-L166 HydrophobicContact CG-CG 4.47Å; Y121-I277 HydrophobicContact CE1-CD1 4.46Å; Y121-L280 HydrophobicContact CE1-CD1 3.82Å |
| 122 | M | 93.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 70.9 Ų | 70.9 | 16% | 0.163 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -28.4 | 175.6 | -72.1 | -72 | 177.1 | 0 | 0 | 112.6 | K119 S120 R124 H125 R133 I277 | K119-M122 WeakPolarHBondContact O-CB 3.41Å; K119-M122 PolarHBondContact O-N 2.63Å; S120-M122 PolarHBondContact O-N 3.24Å; M122-R124 VanDerWaalsContact C-N 3.35Å; M122-H125 CarbonylContact O-C 3.49Å; M122-H125 PolarHBondContact O-N 2.9Å; M122-R133 HydrophobicContact CE-CB 3.99Å; M122-I277 HydrophobicContact CE-CD1 3.58Å; M122-I277 HydrophobicContact CE-CG1 4.11Å; M122-I277 HydrophobicContact CG-CD1 4.23Å; M122-I277 HydrophobicContact CG-CG1 4.21Å |
| 123 | Q | 94.4 | Very high | 94.4 | Very high | 159 Ų | 159 | 69.8 Ų | 69.8 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.5 | -29.6 | 175.2 | -54.7 | 178.5 | 14.2 | 0 | 0 | 112 | S120 Y121 H125 | S120-Q123 VanDerWaalsContact O-CB 3.28Å; S120-Q123 WeakPolarHBondContact O-CB 3.36Å; S120-Q123 WeakPolarHBondContact O-CG 3.48Å; S120-Q123 PolarHBondContact O-N 3.03Å; Y121-Q123 PolarHBondContact O-N 3.01Å; Y121-Q123 VanDerWaalsContact O-N 3.12Å; Q123-H125 PolarHBondContact O-N 3.11Å |
| 124 | R | 95.4 | Very high | 94.7 | Very high | 87 Ų | 87 | 64.1 Ų | 64.1 | 33% | 0.328 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.6 | -9.8 | 173.4 | -52.2 | -172.4 | 79 | -159.5 | -0.2 | 112.9 | Y121 M122 L166 T167 Q168 E169 N170 | Y121-R124 WeakPolarHBondContact O-CA 3.41Å; Y121-R124 WeakPolarHBondContact O-CB 3.49Å; Y121-R124 PolarHBondContact O-N 3.5Å; M122-R124 VanDerWaalsContact C-N 3.35Å; R124-L166 PolarHBondContact NH1-O 3.23Å; R124-T167 PolarHBondContact NH1-O 3.48Å; R124-Q168 VanDerWaalsContact CZ-O 3.26Å; R124-Q168 PolarHBondContact NE-O 2.7Å; R124-Q168 PolarHBondContact NH1-O 2.83Å; R124-Q168 VanDerWaalsContact NH1-O 3.14Å; R124-E169 IonicContact CZ-OE1 2.87Å; R124-E169 IonicContact NE-OE1 3.31Å; R124-E169 VanDerWaalsContact NH2-CD 3.34Å; R124-E169 IonicContact NH2-OE1 2.71Å; R124-E169 PolarHBondContact NH2-OE1 3.32Å; R124-N170 PolarHBondContact O-N 2.74Å |
| 125 | H | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -130.3 | 72.9 | 178.8 | -44.1 | -68.1 | 0 | 0 | 0 | 113.1 | Y121 M122 Q123 K127 L128 M165 Q168 N170 V171 | Y121-H125 AromaticContact CD2-CD2 3.85Å; Y121-H125 PolarHBondContact O-CD2 3.02Å; Y121-H125 PolarHBondContact O-N 3.47Å; M122-H125 CarbonylContact O-C 3.49Å; M122-H125 PolarHBondContact O-N 2.9Å; Q123-H125 PolarHBondContact O-N 3.11Å; H125-K127 PolarHBondContact O-N 3.37Å; H125-L128 HydrophobicContact CB-CB 4.08Å; H125-L128 HydrophobicContact CB-CD1 3.62Å; H125-L128 HydrophobicContact CB-CG 3.75Å; H125-L128 PolarHBondContact O-N 3.4Å; H125-M165 PolarHBondContact NE2-O 3.11Å; H125-M165 VanDerWaalsContact NE2-O 3.15Å; H125-Q168 VanDerWaalsContact CE1-C 3.49Å; H125-Q168 PolarHBondContact CE1-O 3.42Å; H125-Q168 VanDerWaalsContact CE1-O 3.27Å; H125-N170 PolarHBondContact ND1-N 2.84Å; H125-N170 VanDerWaalsContact ND1-N 3.16Å; H125-V171 PolarHBondContact ND1-N 3.01Å | ||
| 126 | P | 95.2 | Very high | 95.1 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.2 | -176.5 | -25.2 | 35.2 | 0 | 0 | 0 | 116.1 | ||
| 127 | K | 95 | Very high | 95.6 | Very high | 134 Ų | 134 | 57 Ų | 57 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12 | 176.4 | -64.1 | 176.8 | -176.8 | 170.5 | 0 | 113.5 | H125 | H125-K127 PolarHBondContact O-N 3.37Š|
| 128 | L | 97.4 | Very high | 96 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | trans | -99.8 | 157.7 | -177.6 | -57.1 | -173.4 | 0 | 0 | 0 | 110.8 | H125 M132 M165 V171 K173 L176 | H125-L128 HydrophobicContact CB-CB 4.08Å; H125-L128 HydrophobicContact CB-CD1 3.62Å; H125-L128 HydrophobicContact CB-CG 3.75Å; H125-L128 PolarHBondContact O-N 3.4Å; L128-M132 HydrophobicContact CB-SD 4.48Å; L128-M132 HydrophobicContact CD2-SD 4.01Å; L128-M165 HydrophobicContact CD1-CE 3.36Å; L128-V171 HydrophobicContact CD1-CB 4.36Å; L128-V171 HydrophobicContact CD1-CG1 4.43Å; L128-K173 HydrophobicContact CD2-CB 3.82Å; L128-L176 HydrophobicContact CD1-CD2 4.15Å; L128-L176 HydrophobicContact CD2-CD1 4.12Å; L128-L176 HydrophobicContact CD2-CG 4.47Å | ||
| 129 | Q | 97.1 | Very high | 96.4 | Very high | 117 Ų | 117 | 55.9 Ų | 55.9 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | trans | -131.2 | 148 | 176.3 | -65.1 | 178.8 | -18.2 | 0 | 0 | 108.9 | K131 M132 | Q129-K131 PolarHBondContact O-N 3.35Å; Q129-M132 HydrophobicContact CB-CE 4.23Å; Q129-M132 HydrophobicContact CB-CG 4.27Å; Q129-M132 HydrophobicContact CG-CE 4.1Å; Q129-M132 WeakPolarHBondContact O-CB 3.31Å; Q129-M132 PolarHBondContact O-N 3.49Å | ||
| 130 | P | 97.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 53.4 Ų | 53.4 | 40% | 0.403 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -48.4 | -37.3 | 175.6 | -33.9 | 38.8 | 0 | 0 | 0 | 114.6 | M132 R133 A134 I277 | P130-M132 VanDerWaalsContact C-N 3.25Å; P130-M132 PolarHBondContact O-N 3.1Å; P130-R133 WeakPolarHBondContact O-CB 3.42Å; P130-R133 PolarHBondContact O-N 3Å; P130-A134 PolarHBondContact O-N 3.48Å; P130-A134 VanDerWaalsContact O-N 3.12Å; P130-I277 HydrophobicContact CB-CB 3.97Å; P130-I277 HydrophobicContact CB-CG2 3.69Å; P130-I277 HydrophobicContact CG-CB 4.45Å; P130-I277 HydrophobicContact CG-CG2 3.92Å |
| 131 | K | 97.4 | Very high | 97.1 | Very high | 144 Ų | 144 | 52 Ų | 52 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.1 | -29.4 | 176 | -175.5 | 170.6 | -179 | 171.8 | 0 | 113.7 | Q129 A134 I135 | Q129-K131 PolarHBondContact O-N 3.35Å; K131-A134 PolarHBondContact O-N 3.17Å; K131-I135 HydrophobicContact CG-CD1 3.96Å; K131-I135 HydrophobicContact CG-CG1 4.41Å; K131-I135 WeakPolarHBondContact O-CD1 3.49Å; K131-I135 VanDerWaalsContact O-CG1 3.25Å; K131-I135 WeakPolarHBondContact O-CG1 3.45Å; K131-I135 PolarHBondContact O-N 3.08Å |
| 132 | M | 98.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 177.2 | -58.4 | 179.3 | -175.2 | 0 | 0 | 111.5 | L128 Q129 P130 L136 K173 L176 | L128-M132 HydrophobicContact CB-SD 4.48Å; L128-M132 HydrophobicContact CD2-SD 4.01Å; Q129-M132 HydrophobicContact CB-CE 4.23Å; Q129-M132 HydrophobicContact CB-CG 4.27Å; Q129-M132 HydrophobicContact CG-CE 4.1Å; Q129-M132 WeakPolarHBondContact O-CB 3.31Å; Q129-M132 PolarHBondContact O-N 3.49Å; P130-M132 VanDerWaalsContact C-N 3.25Å; P130-M132 PolarHBondContact O-N 3.1Å; M132-L136 PolarHBondContact O-N 2.77Å; M132-K173 HydrophobicContact SD-CB 3.93Å; M132-L176 HydrophobicContact CB-CD1 3.71Å; M132-L176 HydrophobicContact SD-CD1 4.48Å |
| 133 | R | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62 | -49.1 | 169.7 | 175.3 | -168.8 | -179.2 | -94.7 | -0.5 | 110.6 | Y121 M122 P130 I135 L136 L137 F161 D162 M274 M275 | Y121-R133 VanDerWaalsContact OH-CD 3.31Å; Y121-R133 WeakPolarHBondContact OH-CD 3.44Å; M122-R133 HydrophobicContact CE-CB 3.99Å; P130-R133 WeakPolarHBondContact O-CB 3.42Å; P130-R133 PolarHBondContact O-N 3Å; R133-I135 VanDerWaalsContact C-N 3.31Å; R133-I135 PolarHBondContact O-N 3.14Å; R133-L136 WeakPolarHBondContact O-CB 3.43Å; R133-L136 PolarHBondContact O-N 3.23Å; R133-L136 VanDerWaalsContact O-N 3.08Å; R133-L137 HydrophobicContact CG-CD1 3.89Å; R133-L137 HydrophobicContact CG-CG 4.16Å; R133-L137 VanDerWaalsContact CZ-CD1 3.46Å; R133-L137 WeakPolarHBondContact O-CG 3.12Å; R133-L137 PolarHBondContact O-N 3.39Å; R133-F161 HydrophobicContact CG-CE1 4.03Å; R133-D162 IonicContact CZ-OD1 3.56Å; R133-D162 IonicContact CZ-OD2 3.67Å; R133-D162 IonicContact NE-OD1 3.82Å; R133-D162 PolarHBondContact NE-OD1 3.22Å; R133-D162 IonicContact NE-OD2 3.66Å; R133-D162 PolarHBondContact NE-OD2 2.95Å; R133-D162 IonicContact NH2-OD1 2.75Å; R133-D162 IonicContact NH2-OD2 2.66Å; R133-D162 PolarHBondContact NH2-OD2 2.96Å; R133-M274 PolarHBondContact NH1-O 3Å; R133-M274 PolarHBondContact NH2-O 3.1Å; R133-M275 PolarHBondContact NH1-O 3.22Å |
| 134 | A | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P130 K131 L137 D138 M275 L355 L358 | P130-A134 PolarHBondContact O-N 3.48Å; P130-A134 VanDerWaalsContact O-N 3.12Å; K131-A134 PolarHBondContact O-N 3.17Å; A134-L137 PolarHBondContact O-N 3.19Å; A134-D138 VanDerWaalsContact O-CB 3.28Å; A134-D138 WeakPolarHBondContact O-CB 3.44Å; A134-D138 PolarHBondContact O-N 3.45Å; A134-M275 HydrophobicContact CB-CB 4.35Å; A134-M275 WeakPolarHBondContact CB-O 3.45Å; A134-L355 HydrophobicContact CB-CD2 4.12Å; A134-L358 HydrophobicContact CB-CD2 3.73Å |
| 135 | I | 98.7 | Very high | 97.9 | Very high | 82 Ų | 82 | 44.6 Ų | 44.6 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.5 | -68.8 | 163.1 | 0 | 0 | 0 | 111.7 | K131 R133 W139 L355 | K131-I135 HydrophobicContact CG-CD1 3.96Å; K131-I135 HydrophobicContact CG-CG1 4.41Å; K131-I135 WeakPolarHBondContact O-CD1 3.49Å; K131-I135 VanDerWaalsContact O-CG1 3.25Å; K131-I135 WeakPolarHBondContact O-CG1 3.45Å; K131-I135 PolarHBondContact O-N 3.08Å; R133-I135 VanDerWaalsContact C-N 3.31Å; R133-I135 PolarHBondContact O-N 3.14Å; I135-W139 PolarHBondContact O-N 3.1Å; I135-L355 HydrophobicContact CG1-CD1 4Å; I135-L355 HydrophobicContact CG1-CD2 4.2Å |
| 136 | L | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -47.9 | 177 | -179.2 | 68.5 | 0 | 0 | 0 | 111.4 | M132 R133 W139 L140 F161 L176 | M132-L136 PolarHBondContact O-N 2.77Å; R133-L136 WeakPolarHBondContact O-CB 3.43Å; R133-L136 PolarHBondContact O-N 3.23Å; R133-L136 VanDerWaalsContact O-N 3.08Å; L136-W139 HydrophobicContact CD1-CE3 4.07Å; L136-W139 HydrophobicContact CD1-CZ3 4.35Å; L136-W139 PolarHBondContact O-N 3.39Å; L136-L140 HydrophobicContact CG-CD1 4.3Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.25Å; L136-F161 HydrophobicContact CD2-CD2 3.62Å; L136-F161 HydrophobicContact CD2-CE1 4.34Å; L136-F161 HydrophobicContact CD2-CE2 3.26Å; L136-F161 HydrophobicContact CD2-CG 4.31Å; L136-F161 HydrophobicContact CD2-CZ 3.68Å; L136-L176 WeakPolarHBondContact CD1-O 3.34Å; L136-L176 HydrophobicContact CD2-CB 4.29Å; L136-L176 WeakPolarHBondContact CD2-O 3.45Å |
| 137 | L | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | -178.5 | -66.7 | -177.7 | 0 | 0 | 0 | 111.9 | R133 A134 W139 L140 L141 Q158 M275 | R133-L137 HydrophobicContact CG-CD1 3.89Å; R133-L137 HydrophobicContact CG-CG 4.16Å; R133-L137 VanDerWaalsContact CZ-CD1 3.46Å; R133-L137 WeakPolarHBondContact O-CG 3.12Å; R133-L137 PolarHBondContact O-N 3.39Å; A134-L137 PolarHBondContact O-N 3.19Å; L137-W139 VanDerWaalsContact C-N 3.31Å; L137-W139 PolarHBondContact O-N 2.94Å; L137-L140 HydrophobicContact CD2-CD1 4.36Å; L137-L140 PolarHBondContact O-N 2.94Å; L137-L140 VanDerWaalsContact O-N 3.12Å; L137-L141 WeakPolarHBondContact O-CG 3.39Å; L137-L141 PolarHBondContact O-N 3.41Å; L137-Q158 HydrophobicContact CD1-CG 3.75Å; L137-Q158 HydrophobicContact CD2-CB 3.94Å; L137-Q158 HydrophobicContact CD2-CG 3.56Å; L137-Q158 HydrophobicContact CG-CG 4.31Å; L137-M275 HydrophobicContact CB-CE 3.9Å; L137-M275 HydrophobicContact CB-SD 3.54Å; L137-M275 VanDerWaalsContact CB-SD 3.54Å |
| 138 | D | 98.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.6 | -47.2 | 173.5 | 178.7 | 69 | 0 | 0 | 0 | 111.4 | A134 L141 E142 M275 H351 L355 | A134-D138 VanDerWaalsContact O-CB 3.28Å; A134-D138 WeakPolarHBondContact O-CB 3.44Å; A134-D138 PolarHBondContact O-N 3.45Å; D138-L141 PolarHBondContact O-N 3.43Å; D138-E142 PolarHBondContact O-N 3.48Å; D138-M275 HydrophobicContact CB-SD 4.21Å; D138-M275 PolarHBondContact N-SD 3.21Å; D138-H351 PolarHBondContact O-CD2 3.13Å; D138-H351 VanDerWaalsContact O-CD2 3.32Å; D138-H351 PolarHBondContact O-NE2 2.88Å; D138-H351 IonicContact OD1-CD2 3.82Å; D138-H351 IonicContact OD1-CE1 2.83Å; D138-H351 IonicContact OD1-NE2 3.63Å; D138-H351 PolarHBondContact OD1-NE2 2.71Å; D138-H351 IonicContact OD2-NE2 2.69Å; D138-L355 HydrophobicContact CB-CD1 4.2Å; D138-L355 HydrophobicContact CB-CD2 4.01Å; D138-L355 HydrophobicContact CB-CG 3.84Å; D138-L355 WeakPolarHBondContact OD2-CD1 3.34Å |
| 139 | W | 98.8 | Very high | 98.2 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.6 | 175.7 | 68.5 | 0 | 0 | 0 | 113 | I135 L136 L137 L141 E142 V143 Q177 I181 V204 T205 | I135-W139 PolarHBondContact O-N 3.1Å; L136-W139 HydrophobicContact CD1-CE3 4.07Å; L136-W139 HydrophobicContact CD1-CZ3 4.35Å; L136-W139 PolarHBondContact O-N 3.39Å; L137-W139 VanDerWaalsContact C-N 3.31Å; L137-W139 PolarHBondContact O-N 2.94Å; W139-L141 VanDerWaalsContact C-N 3.29Å; W139-L141 PolarHBondContact O-N 3.44Å; W139-E142 WeakPolarHBondContact O-CB 3.37Å; W139-E142 PolarHBondContact O-N 2.91Å; W139-V143 HydrophobicContact CD2-CG2 4.07Å; W139-V143 HydrophobicContact CG-CG2 4.44Å; W139-V143 HydrophobicContact CH2-CG2 4.48Å; W139-V143 HydrophobicContact CZ2-CG2 3.84Å; W139-V143 WeakPolarHBondContact O-CG2 3.28Å; W139-V143 PolarHBondContact O-N 2.96Å; W139-Q177 HydrophobicContact CE3-CG 4.35Å; W139-Q177 HydrophobicContact CH2-CG 3.56Å; W139-Q177 HydrophobicContact CZ2-CG 4.27Å; W139-Q177 VanDerWaalsContact CZ2-NE2 3.33Å; W139-Q177 HydrophobicContact CZ3-CG 3.62Å; W139-I181 HydrophobicContact CH2-CB 3.97Å; W139-I181 HydrophobicContact CH2-CD1 3.66Å; W139-I181 HydrophobicContact CH2-CG1 4Å; W139-I181 HydrophobicContact CZ2-CD1 4.44Å; W139-I181 HydrophobicContact CZ3-CB 4.13Å; W139-I181 HydrophobicContact CZ3-CD1 4.09Å; W139-V204 HydrophobicContact CZ2-CG1 4.41Å; W139-T205 HydrophobicContact CH2-CG2 4.12Å |
| 140 | L | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -32.5 | 175.7 | -68.5 | 178 | 0 | 0 | 0 | 112.3 | L136 L137 S144 I181 L184 | L136-L140 HydrophobicContact CG-CD1 4.3Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.25Å; L137-L140 HydrophobicContact CD2-CD1 4.36Å; L137-L140 PolarHBondContact O-N 2.94Å; L137-L140 VanDerWaalsContact O-N 3.12Å; L140-S144 VanDerWaalsContact O-CB 3.29Å; L140-S144 WeakPolarHBondContact O-CB 3.32Å; L140-S144 PolarHBondContact O-N 3.35Å; L140-S144 PolarHBondContact O-OG 2.74Å; L140-I181 HydrophobicContact CD2-CD1 4.31Å; L140-L184 HydrophobicContact CD2-CB 4.21Å; L140-L184 HydrophobicContact CD2-CD2 4.02Å |
| 141 | L | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 171.9 | -60.9 | -164.2 | 0 | 0 | 0 | 112 | L137 D138 W139 S144 E145 A154 D271 M275 Q349 Y354 | L137-L141 WeakPolarHBondContact O-CG 3.39Å; L137-L141 PolarHBondContact O-N 3.41Å; D138-L141 PolarHBondContact O-N 3.43Å; W139-L141 VanDerWaalsContact C-N 3.29Å; W139-L141 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-N 2.89Å; L141-E145 PolarHBondContact O-N 3.38Å; L141-A154 HydrophobicContact CD2-CB 3.79Å; L141-D271 HydrophobicContact CD1-CB 4Å; L141-M275 HydrophobicContact CD1-CE 3.35Å; L141-M275 HydrophobicContact CG-CE 3.82Å; L141-Q349 HydrophobicContact CB-CG 4.42Å; L141-Q349 HydrophobicContact CD2-CG 3.99Å; L141-Y354 HydrophobicContact CD1-CD2 3.96Å; L141-Y354 HydrophobicContact CD1-CE2 3.66Å |
| 142 | E | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 29.2 Ų | 29.2 | 35% | 0.35 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 172.8 | -172.5 | -178.9 | -166.6 | 0 | 0 | 111.1 | D138 W139 S144 E145 V146 H351 | D138-E142 PolarHBondContact O-N 3.48Å; W139-E142 WeakPolarHBondContact O-CB 3.37Å; W139-E142 PolarHBondContact O-N 2.91Å; E142-S144 VanDerWaalsContact C-N 3.28Å; E142-S144 PolarHBondContact O-N 3.32Å; E142-E145 PolarHBondContact O-N 2.95Å; E142-V146 WeakPolarHBondContact O-CG2 3.28Å; E142-V146 PolarHBondContact O-N 3.34Å; E142-H351 HydrophobicContact CB-CB 4.38Å |
| 143 | V | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | W139 V146 Y147 I181 L184 V204 | W139-V143 HydrophobicContact CD2-CG2 4.07Å; W139-V143 HydrophobicContact CG-CG2 4.44Å; W139-V143 HydrophobicContact CH2-CG2 4.48Å; W139-V143 HydrophobicContact CZ2-CG2 3.84Å; W139-V143 WeakPolarHBondContact O-CG2 3.28Å; W139-V143 PolarHBondContact O-N 2.96Å; V143-V146 PolarHBondContact O-N 3.37Å; V143-Y147 HydrophobicContact CG1-CD2 3.79Å; V143-Y147 HydrophobicContact CG1-CE2 3.98Å; V143-Y147 WeakPolarHBondContact O-CD2 3.44Å; V143-Y147 PolarHBondContact O-N 3.13Å; V143-Y147 VanDerWaalsContact O-N 3.07Å; V143-I181 HydrophobicContact CG1-CD1 4.16Å; V143-L184 HydrophobicContact CB-CD2 4.31Å; V143-L184 HydrophobicContact CG1-CD2 3.78Å; V143-V204 HydrophobicContact CG1-CG1 4.03Å; V143-V204 HydrophobicContact CG1-CG2 4.35Å; V143-V204 HydrophobicContact CG2-CG1 4.27Å; V143-V204 HydrophobicContact CG2-CG2 3.84Å |
| 144 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | L140 L141 E142 N148 L149 | L140-S144 VanDerWaalsContact O-CB 3.29Å; L140-S144 WeakPolarHBondContact O-CB 3.32Å; L140-S144 PolarHBondContact O-N 3.35Å; L140-S144 PolarHBondContact O-OG 2.74Å; L141-S144 PolarHBondContact O-N 2.89Å; E142-S144 VanDerWaalsContact C-N 3.28Å; E142-S144 PolarHBondContact O-N 3.32Å; S144-N148 PolarHBondContact O-N 3.16Å; S144-L149 PolarHBondContact O-N 3.1Å |
| 145 | E | 97.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 21% | 0.21 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 172 | 179.5 | 168.7 | 164.5 | 0 | 0 | 111.6 | L141 E142 Y147 N148 K335 F337 Q349 T350 H351 | L141-E145 PolarHBondContact O-N 3.38Å; E142-E145 PolarHBondContact O-N 2.95Å; E145-Y147 VanDerWaalsContact C-N 3.29Å; E145-Y147 PolarHBondContact O-N 3.18Å; E145-N148 PolarHBondContact O-N 3.02Å; E145-K335 WeakPolarHBondContact OE1-CD 3.44Å; E145-K335 IonicContact OE1-NZ 3.19Å; E145-K335 PolarHBondContact OE1-NZ 3.16Å; E145-K335 IonicContact OE2-NZ 2.63Å; E145-K335 PolarHBondContact OE2-NZ 3.22Å; E145-F337 HydrophobicContact CG-CE1 4.43Å; E145-Q349 WeakPolarHBondContact CA-O 3.33Å; E145-T350 VanDerWaalsContact OE2-CA 3.28Å; E145-T350 WeakPolarHBondContact OE2-CA 3.18Å; E145-H351 PolarHBondContact OE2-N 3.37Å |
| 146 | V | 97.1 | Very high | 98.5 | Very high | 68 Ų | 68 | 23.6 Ų | 23.6 | 41% | 0.412 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -58.1 | -41 | -178.8 | 168.6 | 0 | 0 | 0 | 0 | 112 | E142 V143 | E142-V146 WeakPolarHBondContact O-CG2 3.28Å; E142-V146 PolarHBondContact O-N 3.34Å; V143-V146 PolarHBondContact O-N 3.37Å |
| 147 | Y | 97.2 | Very high | 98.5 | Very high | 44 Ų | 44 | 23.1 Ų | 23.1 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -85.5 | -4.5 | 176.3 | -72.8 | -68.4 | 0 | 0 | 0 | 114.2 | V143 E145 L149 P196 E200 V204 | V143-Y147 HydrophobicContact CG1-CD2 3.79Å; V143-Y147 HydrophobicContact CG1-CE2 3.98Å; V143-Y147 WeakPolarHBondContact O-CD2 3.44Å; V143-Y147 PolarHBondContact O-N 3.13Å; V143-Y147 VanDerWaalsContact O-N 3.07Å; E145-Y147 VanDerWaalsContact C-N 3.29Å; E145-Y147 PolarHBondContact O-N 3.18Å; Y147-L149 VanDerWaalsContact C-N 3.31Å; Y147-P196 HydrophobicContact CD1-CB 4.02Å; Y147-P196 HydrophobicContact CD1-CG 3.84Å; Y147-P196 HydrophobicContact CE1-CB 4.27Å; Y147-P196 HydrophobicContact CG-CB 4.46Å; Y147-P196 HydrophobicContact CG-CG 3.92Å; Y147-E200 HydrophobicContact CE1-CB 3.97Å; Y147-E200 PolarHBondContact OH-O 3.23Å; Y147-E200 VanDerWaalsContact OH-O 3.07Å; Y147-V204 HydrophobicContact CE2-CB 4.13Å; Y147-V204 HydrophobicContact CE2-CG1 4.22Å; Y147-V204 HydrophobicContact CE2-CG2 4.24Å |
| 148 | N | 97.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 31% | 0.31 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 40 | -173.9 | -40.1 | -99.1 | 0 | 0 | 0 | 112.4 | S144 E145 F337 I348 | S144-N148 PolarHBondContact O-N 3.16Å; E145-N148 PolarHBondContact O-N 3.02Å; N148-F337 WeakPolarHBondContact OD1-CD1 3.31Å; N148-I348 HydrophobicContact CB-CG2 4.04Å |
| 149 | L | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | trans | -72.5 | 155.2 | 176.6 | -54.5 | -177.9 | 0 | 0 | 0 | 110.9 | S144 Y147 T153 L184 E192 P196 Q349 | S144-L149 PolarHBondContact O-N 3.1Å; Y147-L149 VanDerWaalsContact C-N 3.31Å; L149-T153 HydrophobicContact CB-CG2 4.27Å; L149-T153 HydrophobicContact CD1-CG2 4.11Å; L149-L184 HydrophobicContact CD1-CD1 3.98Å; L149-L184 HydrophobicContact CD1-CD2 4.1Å; L149-L184 HydrophobicContact CD1-CG 4.07Å; L149-E192 WeakPolarHBondContact CA-OE1 3.47Å; L149-E192 HydrophobicContact CD2-CG 4.06Å; L149-P196 HydrophobicContact CD2-CG 3.94Å; L149-Q349 PolarHBondContact O-N 3.49Å | ||
| 150 | H | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 20.1 Ų | 20.1 | 19% | 0.19 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -68.2 | 149.4 | 174.3 | -64.7 | 77.8 | 0 | 0 | 0 | 111.3 | Q152 T153 A154 E191 E192 D344 N347 | H150-Q152 HydrophobicContact CB-CB 4.48Å; H150-Q152 PolarHBondContact O-N 3.33Å; H150-T153 WeakPolarHBondContact O-CB 3.22Å; H150-T153 PolarHBondContact O-N 3.45Å; H150-A154 PolarHBondContact O-N 2.82Å; H150-E191 HydrophobicContact CB-CG 4.49Å; H150-E192 IonicContact CE1-OE2 2.74Å; H150-E192 PolarHBondContact CE1-OE2 3.28Å; H150-E192 VanDerWaalsContact CE1-OE2 3.31Å; H150-E192 IonicContact CG-OE1 2.77Å; H150-E192 PolarHBondContact N-OE1 2.63Å; H150-E192 VanDerWaalsContact ND1-CD 3.3Å; H150-E192 IonicContact ND1-OE1 3.64Å; H150-E192 PolarHBondContact ND1-OE1 2.91Å; H150-E192 IonicContact ND1-OE2 3.39Å; H150-E192 PolarHBondContact ND1-OE2 2.9Å; H150-D344 IonicContact NE2-OD2 3.84Å; H150-N347 CarbonylContact C-O 3.56Å; H150-N347 VanDerWaalsContact CA-O 3.31Å; H150-N347 WeakPolarHBondContact CA-O 3.35Å |
| 151 | R | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -52.2 | -43.6 | 169 | -71.1 | 178.1 | 159 | 62 | 27.3 | 110.1 | T153 A154 Y155 I235 T267 H346 N347 I348 Q349 T350 | R151-T153 VanDerWaalsContact C-N 3.29Å; R151-T153 PolarHBondContact O-N 3.03Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-Y155 VanDerWaalsContact O-CD2 3.29Å; R151-Y155 WeakPolarHBondContact O-CD2 3.37Å; R151-Y155 PolarHBondContact O-N 3.28Å; R151-I235 HydrophobicContact CB-CD1 4.36Å; R151-I235 HydrophobicContact CB-CG1 3.93Å; R151-T267 PolarHBondContact NE-OG1 3.43Å; R151-H346 PolarHBondContact NH1-O 2.83Å; R151-N347 WeakPolarHBondContact CG-O 3.46Å; R151-N347 PolarHBondContact N-O 3.35Å; R151-I348 PolarHBondContact NH1-O 3.27Å; R151-Q349 HydrophobicContact CG-CB 4.42Å; R151-T350 PolarHBondContact NH2-OG1 3.1Å |
| 152 | Q | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 17% | 0.173 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.3 | -44.9 | 175.9 | -174.5 | 67.9 | 27 | 0 | 0 | 111.8 | H150 A154 Y155 L156 E191 T233 S236 | H150-Q152 HydrophobicContact CB-CB 4.48Å; H150-Q152 PolarHBondContact O-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.39Å; Q152-Y155 PolarHBondContact O-N 3.44Å; Q152-L156 HydrophobicContact CG-CD1 4.19Å; Q152-L156 HydrophobicContact CG-CG 4.49Å; Q152-L156 WeakPolarHBondContact O-CB 3.25Å; Q152-L156 VanDerWaalsContact O-CG 3.25Å; Q152-L156 WeakPolarHBondContact O-CG 3.43Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-E191 HydrophobicContact CB-CG 4Å; Q152-E191 HydrophobicContact CG-CG 3.9Å; Q152-E191 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E191 VanDerWaalsContact CG-OE2 3.3Å; Q152-E191 WeakPolarHBondContact CG-OE2 3.44Å; Q152-T233 PolarHBondContact OE1-OG1 3.31Å; Q152-S236 PolarHBondContact NE2-OG 3.27Å; Q152-S236 VanDerWaalsContact NE2-OG 3.11Å; Q152-S236 PolarHBondContact OE1-OG 2.76Å |
| 153 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 174.9 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | L149 H150 R151 A157 L184 A187 S188 E191 E192 | L149-T153 HydrophobicContact CB-CG2 4.27Å; L149-T153 HydrophobicContact CD1-CG2 4.11Å; H150-T153 WeakPolarHBondContact O-CB 3.22Å; H150-T153 PolarHBondContact O-N 3.45Å; R151-T153 VanDerWaalsContact C-N 3.29Å; R151-T153 PolarHBondContact O-N 3.03Å; T153-A157 WeakPolarHBondContact O-CB 3.42Å; T153-A157 PolarHBondContact O-N 3.08Å; T153-L184 HydrophobicContact CG2-CD1 4.11Å; T153-A187 HydrophobicContact CG2-CB 4.05Å; T153-A187 VanDerWaalsContact O-CB 3.27Å; T153-A187 WeakPolarHBondContact O-CB 3.33Å; T153-S188 WeakPolarHBondContact CG2-OG 3.46Å; T153-E191 WeakPolarHBondContact OG1-CB 3.23Å; T153-E191 WeakPolarHBondContact OG1-CG 3.35Å; T153-E192 WeakPolarHBondContact CB-OE1 3.39Å; T153-E192 HydrophobicContact CG2-CG 4.41Å; T153-E192 PolarHBondContact OG1-OE1 3.19Å |
| 154 | A | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 5% | 0.05 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L141 H150 R151 Q152 A157 Q158 Q349 | L141-A154 HydrophobicContact CD2-CB 3.79Å; H150-A154 PolarHBondContact O-N 2.82Å; R151-A154 PolarHBondContact O-N 2.92Å; Q152-A154 PolarHBondContact O-N 3.39Å; A154-A157 WeakPolarHBondContact O-CB 3.11Å; A154-A157 PolarHBondContact O-N 2.91Å; A154-Q158 PolarHBondContact O-N 2.77Å; A154-Q349 HydrophobicContact CB-CB 4.5Å; A154-Q349 HydrophobicContact CB-CG 4.02Å |
| 155 | Y | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 3% | 0.027 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.2 | -34.7 | 177.1 | -82.7 | -99.9 | 0 | 0 | 0 | 112.7 | R151 Q152 Q158 D159 P234 I235 L270 D271 M274 | R151-Y155 VanDerWaalsContact O-CD2 3.29Å; R151-Y155 WeakPolarHBondContact O-CD2 3.37Å; R151-Y155 PolarHBondContact O-N 3.28Å; Q152-Y155 PolarHBondContact O-N 3.44Å; Y155-Q158 PolarHBondContact O-N 3.12Å; Y155-D159 WeakPolarHBondContact O-CB 3.33Å; Y155-D159 PolarHBondContact O-N 3.39Å; Y155-P234 HydrophobicContact CD1-CB 4.17Å; Y155-P234 HydrophobicContact CD1-CG 4Å; Y155-P234 HydrophobicContact CE1-CB 3.95Å; Y155-P234 HydrophobicContact CE1-CG 4.09Å; Y155-I235 HydrophobicContact CD1-CG2 4.3Å; Y155-I235 HydrophobicContact CD2-CB 4.03Å; Y155-I235 HydrophobicContact CD2-CG2 3.72Å; Y155-I235 HydrophobicContact CE2-CB 4.25Å; Y155-I235 HydrophobicContact CE2-CG2 4.43Å; Y155-I235 HydrophobicContact CG-CB 4.17Å; Y155-I235 HydrophobicContact CG-CG2 3.64Å; Y155-L270 VanDerWaalsContact OH-CB 3.23Å; Y155-L270 WeakPolarHBondContact OH-CB 3.35Å; Y155-D271 WeakPolarHBondContact CE2-OD1 3.39Å; Y155-D271 PolarHBondContact OH-N 2.87Å; Y155-D271 VanDerWaalsContact OH-N 3.11Å; Y155-D271 PolarHBondContact OH-OD1 2.81Å; Y155-M274 HydrophobicContact CE1-CG 3.76Å |
| 156 | L | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 169.4 | -74.8 | 173.2 | 0 | 0 | 0 | 111.2 | Q152 Q158 D159 Y160 A187 I190 E191 P231 T233 | Q152-L156 HydrophobicContact CG-CD1 4.19Å; Q152-L156 HydrophobicContact CG-CG 4.49Å; Q152-L156 WeakPolarHBondContact O-CB 3.25Å; Q152-L156 VanDerWaalsContact O-CG 3.25Å; Q152-L156 WeakPolarHBondContact O-CG 3.43Å; Q152-L156 PolarHBondContact O-N 3.37Å; L156-Q158 VanDerWaalsContact C-N 3.33Å; L156-Q158 PolarHBondContact O-N 3.08Å; L156-D159 PolarHBondContact O-N 3.12Å; L156-Y160 HydrophobicContact CB-CE1 4.42Å; L156-Y160 HydrophobicContact CB-CE2 4.34Å; L156-Y160 HydrophobicContact CD2-CE1 4.19Å; L156-Y160 WeakPolarHBondContact O-CB 3.47Å; L156-Y160 VanDerWaalsContact O-CD1 3.23Å; L156-Y160 WeakPolarHBondContact O-CD1 3.39Å; L156-Y160 WeakPolarHBondContact O-CD2 3.44Å; L156-Y160 PolarHBondContact O-N 3.41Å; L156-A187 HydrophobicContact CB-CB 3.69Å; L156-I190 HydrophobicContact CD1-CG2 4.45Å; L156-E191 HydrophobicContact CD1-CB 4.18Å; L156-P231 HydrophobicContact CD2-CG 3.56Å; L156-T233 HydrophobicContact CD2-CG2 3.91Å; L156-T233 HydrophobicContact CG-CG2 4.26Å |
| 157 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T153 A154 F161 A183 L184 A187 | T153-A157 WeakPolarHBondContact O-CB 3.42Å; T153-A157 PolarHBondContact O-N 3.08Å; A154-A157 WeakPolarHBondContact O-CB 3.11Å; A154-A157 PolarHBondContact O-N 2.91Å; A157-F161 WeakPolarHBondContact O-CB 3.32Å; A157-F161 PolarHBondContact O-N 3.01Å; A157-A183 WeakPolarHBondContact O-CB 3.44Å; A157-L184 HydrophobicContact CB-CB 3.92Å; A157-L184 HydrophobicContact CB-CD1 3.62Å; A157-L184 HydrophobicContact CB-CG 4.39Å; A157-A187 HydrophobicContact CB-CB 4.11Å |
| 158 | Q | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.047 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 176 | -174.4 | -113.3 | -70.7 | 0 | 0 | 111.8 | L137 A154 Y155 L156 F161 D162 | L137-Q158 HydrophobicContact CD1-CG 3.75Å; L137-Q158 HydrophobicContact CD2-CB 3.94Å; L137-Q158 HydrophobicContact CD2-CG 3.56Å; L137-Q158 HydrophobicContact CG-CG 4.31Å; A154-Q158 PolarHBondContact O-N 2.77Å; Y155-Q158 PolarHBondContact O-N 3.12Å; L156-Q158 VanDerWaalsContact C-N 3.33Å; L156-Q158 PolarHBondContact O-N 3.08Å; Q158-F161 PolarHBondContact O-N 3.4Å; Q158-D162 PolarHBondContact NE2-OD2 3.04Å; Q158-D162 PolarHBondContact O-N 3.1Å |
| 159 | D | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 174.1 | 179.6 | 75.3 | 0 | 0 | 0 | 112.1 | Y155 L156 F161 D162 R163 P231 Y284 | Y155-D159 WeakPolarHBondContact O-CB 3.33Å; Y155-D159 PolarHBondContact O-N 3.39Å; L156-D159 PolarHBondContact O-N 3.12Å; D159-F161 VanDerWaalsContact C-N 3.31Å; D159-F161 PolarHBondContact O-N 3.16Å; D159-D162 PolarHBondContact O-N 2.69Å; D159-R163 VanDerWaalsContact CG-CD 3.46Å; D159-R163 VanDerWaalsContact O-CB 3.29Å; D159-R163 WeakPolarHBondContact O-CB 3.3Å; D159-R163 WeakPolarHBondContact O-CG 3.21Å; D159-R163 PolarHBondContact O-N 3.5Å; D159-R163 VanDerWaalsContact OD1-CD 3.23Å; D159-R163 WeakPolarHBondContact OD1-CD 3.26Å; D159-R163 WeakPolarHBondContact OD2-CD 3.43Å; D159-R163 IonicContact OD2-CZ 3.54Å; D159-R163 IonicContact OD2-NE 2.8Å; D159-R163 IonicContact OD2-NH1 3.59Å; D159-R163 PolarHBondContact OD2-NH1 3.06Å; D159-P231 HydrophobicContact CB-CG 4.25Å; D159-P231 WeakPolarHBondContact OD2-CG 3.25Å; D159-Y284 VanDerWaalsContact OD1-CE2 3.32Å; D159-Y284 WeakPolarHBondContact OD1-CE2 3.42Å; D159-Y284 PolarHBondContact OD1-OH 2.87Å |
| 160 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 177.8 | -59.8 | -11.6 | 0 | 0 | 0 | 111.5 | L156 F164 I186 A187 L225 L229 | L156-Y160 HydrophobicContact CB-CE1 4.42Å; L156-Y160 HydrophobicContact CB-CE2 4.34Å; L156-Y160 HydrophobicContact CD2-CE1 4.19Å; L156-Y160 WeakPolarHBondContact O-CB 3.47Å; L156-Y160 VanDerWaalsContact O-CD1 3.23Å; L156-Y160 WeakPolarHBondContact O-CD1 3.39Å; L156-Y160 WeakPolarHBondContact O-CD2 3.44Å; L156-Y160 PolarHBondContact O-N 3.41Å; Y160-F164 WeakPolarHBondContact O-CB 3.31Å; Y160-F164 PolarHBondContact O-N 2.98Å; Y160-I186 HydrophobicContact CD2-CB 4.21Å; Y160-I186 HydrophobicContact CD2-CG2 4.04Å; Y160-I186 HydrophobicContact CE2-CB 4.14Å; Y160-I186 HydrophobicContact CE2-CG2 3.65Å; Y160-A187 HydrophobicContact CD2-CB 4.33Å; Y160-A187 HydrophobicContact CE2-CB 3.83Å; Y160-L225 HydrophobicContact CD1-CD1 4.26Å; Y160-L225 HydrophobicContact CG-CD1 4.27Å; Y160-L229 HydrophobicContact CD1-CD2 4.35Å; Y160-L229 HydrophobicContact CE1-CB 4.16Å; Y160-L229 HydrophobicContact CE1-CD2 4.06Å; Y160-L229 WeakPolarHBondContact CE1-O 3.42Å; Y160-L229 HydrophobicContact CE2-CD2 4.36Å; Y160-L229 PolarHBondContact OH-O 3.35Å |
| 161 | F | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -56.2 | 175.3 | 173.5 | -91.1 | 0 | 0 | 0 | 111 | R133 L136 A157 Q158 D159 R163 F164 M165 L176 I179 A183 | R133-F161 HydrophobicContact CG-CE1 4.03Å; L136-F161 HydrophobicContact CD2-CD2 3.62Å; L136-F161 HydrophobicContact CD2-CE1 4.34Å; L136-F161 HydrophobicContact CD2-CE2 3.26Å; L136-F161 HydrophobicContact CD2-CG 4.31Å; L136-F161 HydrophobicContact CD2-CZ 3.68Å; A157-F161 WeakPolarHBondContact O-CB 3.32Å; A157-F161 PolarHBondContact O-N 3.01Å; Q158-F161 PolarHBondContact O-N 3.4Å; D159-F161 VanDerWaalsContact C-N 3.31Å; D159-F161 PolarHBondContact O-N 3.16Å; F161-R163 PolarHBondContact O-N 3.39Å; F161-F164 PolarHBondContact O-N 3.46Å; F161-M165 HydrophobicContact CD1-CG 4.34Å; F161-M165 HydrophobicContact CD2-CG 4.37Å; F161-M165 HydrophobicContact CE1-CG 3.88Å; F161-M165 HydrophobicContact CE2-CG 3.91Å; F161-M165 HydrophobicContact CE2-SD 4.12Å; F161-M165 HydrophobicContact CZ-CG 3.64Å; F161-M165 HydrophobicContact CZ-SD 4.13Å; F161-M165 VanDerWaalsContact O-CG 3.26Å; F161-M165 WeakPolarHBondContact O-CG 3.32Å; F161-M165 PolarHBondContact O-N 2.99Å; F161-L176 HydrophobicContact CE2-CD2 3.9Å; F161-L176 HydrophobicContact CZ-CD2 3.78Å; F161-I179 HydrophobicContact CD2-CB 4.45Å; F161-I179 HydrophobicContact CD2-CG2 3.76Å; F161-I179 HydrophobicContact CE2-CB 4.47Å; F161-I179 HydrophobicContact CE2-CG2 4.08Å; F161-A183 HydrophobicContact CB-CB 4.48Å |
| 162 | D | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | -175.6 | -74.7 | -46.4 | 0 | 0 | 0 | 111.9 | Y121 R133 Q158 D159 M165 L166 L280 | Y121-D162 HydrophobicContact CE1-CB 4.04Å; Y121-D162 WeakPolarHBondContact CE1-OD1 3.3Å; Y121-D162 PolarHBondContact OH-OD1 3.23Å; R133-D162 IonicContact CZ-OD1 3.56Å; R133-D162 IonicContact CZ-OD2 3.67Å; R133-D162 IonicContact NE-OD1 3.82Å; R133-D162 PolarHBondContact NE-OD1 3.22Å; R133-D162 IonicContact NE-OD2 3.66Å; R133-D162 PolarHBondContact NE-OD2 2.95Å; R133-D162 IonicContact NH2-OD1 2.75Å; R133-D162 IonicContact NH2-OD2 2.66Å; R133-D162 PolarHBondContact NH2-OD2 2.96Å; Q158-D162 PolarHBondContact NE2-OD2 3.04Å; Q158-D162 PolarHBondContact O-N 3.1Å; D159-D162 PolarHBondContact O-N 2.69Å; D162-M165 PolarHBondContact O-N 2.7Å; D162-L166 PolarHBondContact O-N 2.96Å; D162-L280 HydrophobicContact CB-CD1 4.31Å |
| 163 | R | 98.2 | Very high | 97.9 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 8% | 0.083 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.7 | -33.3 | 175.7 | -70 | 166.9 | 55.7 | -130.7 | -9.4 | 112.9 | Y115 D159 F161 L166 L225 N228 | Y115-R163 VanDerWaalsContact CD1-CZ 3.41Å; D159-R163 VanDerWaalsContact CG-CD 3.46Å; D159-R163 VanDerWaalsContact O-CB 3.29Å; D159-R163 WeakPolarHBondContact O-CB 3.3Å; D159-R163 WeakPolarHBondContact O-CG 3.21Å; D159-R163 PolarHBondContact O-N 3.5Å; D159-R163 VanDerWaalsContact OD1-CD 3.23Å; D159-R163 WeakPolarHBondContact OD1-CD 3.26Å; D159-R163 WeakPolarHBondContact OD2-CD 3.43Å; D159-R163 IonicContact OD2-CZ 3.54Å; D159-R163 IonicContact OD2-NE 2.8Å; D159-R163 IonicContact OD2-NH1 3.59Å; D159-R163 PolarHBondContact OD2-NH1 3.06Å; F161-R163 PolarHBondContact O-N 3.39Å; R163-L166 WeakPolarHBondContact O-CB 3.46Å; R163-L166 PolarHBondContact O-N 2.68Å; R163-L225 HydrophobicContact CB-CD2 3.66Å; R163-N228 PolarHBondContact NH1-O 3.4Å; R163-N228 PolarHBondContact NH2-O 3.12Å |
| 164 | F | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | 173.4 | 176.5 | -106.4 | 0 | 0 | 0 | 110.1 | Y160 F161 L166 T167 Q168 I179 H220 I221 A224 | Y160-F164 WeakPolarHBondContact O-CB 3.31Å; Y160-F164 PolarHBondContact O-N 2.98Å; F161-F164 PolarHBondContact O-N 3.46Å; F164-L166 PolarHBondContact O-N 2.75Å; F164-T167 WeakPolarHBondContact O-CB 3.36Å; F164-T167 PolarHBondContact O-N 2.79Å; F164-T167 PolarHBondContact O-OG1 3.19Å; F164-Q168 HydrophobicContact CD1-CG 4.04Å; F164-Q168 HydrophobicContact CD2-CG 4.35Å; F164-Q168 HydrophobicContact CE1-CG 3.61Å; F164-Q168 HydrophobicContact CE2-CG 3.94Å; F164-Q168 HydrophobicContact CG-CG 4.41Å; F164-Q168 HydrophobicContact CZ-CG 3.55Å; F164-Q168 WeakPolarHBondContact O-CG 2.9Å; F164-Q168 PolarHBondContact O-N 3.45Å; F164-I179 HydrophobicContact CD1-CG2 3.53Å; F164-I179 HydrophobicContact CE1-CD1 4.01Å; F164-I179 HydrophobicContact CE1-CG1 4.06Å; F164-I179 HydrophobicContact CE1-CG2 3.86Å; F164-H220 AromaticContact CZ-CE1 3.88Å; F164-H220 AromaticContact CZ-ND1 3.75Å; F164-I221 HydrophobicContact CD1-CG1 4.18Å; F164-I221 HydrophobicContact CD2-CB 4.15Å; F164-I221 HydrophobicContact CD2-CG1 3.74Å; F164-I221 HydrophobicContact CD2-CG2 4.42Å; F164-I221 HydrophobicContact CE1-CG1 4.29Å; F164-I221 HydrophobicContact CE2-CB 4.43Å; F164-I221 HydrophobicContact CE2-CG1 3.87Å; F164-I221 HydrophobicContact CG-CG1 3.89Å; F164-I221 HydrophobicContact CZ-CG1 4.14Å; F164-A224 HydrophobicContact CD2-CB 3.75Å; F164-A224 HydrophobicContact CE2-CB 3.77Å |
| 165 | M | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -38.5 | 176.3 | -65.9 | -61.2 | -71.9 | 0 | 0 | 111.8 | Y121 H125 L128 F161 D162 T167 Q168 V171 L176 I179 | Y121-M165 HydrophobicContact CD1-CB 4.31Å; Y121-M165 HydrophobicContact CD2-CB 3.62Å; Y121-M165 HydrophobicContact CE1-CB 4.31Å; Y121-M165 HydrophobicContact CE2-CB 3.65Å; Y121-M165 HydrophobicContact CE2-CG 4.18Å; Y121-M165 HydrophobicContact CG-CB 3.98Å; H125-M165 PolarHBondContact NE2-O 3.11Å; H125-M165 VanDerWaalsContact NE2-O 3.15Å; L128-M165 HydrophobicContact CD1-CE 3.36Å; F161-M165 HydrophobicContact CD1-CG 4.34Å; F161-M165 HydrophobicContact CD2-CG 4.37Å; F161-M165 HydrophobicContact CE1-CG 3.88Å; F161-M165 HydrophobicContact CE2-CG 3.91Å; F161-M165 HydrophobicContact CE2-SD 4.12Å; F161-M165 HydrophobicContact CZ-CG 3.64Å; F161-M165 HydrophobicContact CZ-SD 4.13Å; F161-M165 VanDerWaalsContact O-CG 3.26Å; F161-M165 WeakPolarHBondContact O-CG 3.32Å; F161-M165 PolarHBondContact O-N 2.99Å; D162-M165 PolarHBondContact O-N 2.7Å; M165-T167 PolarHBondContact O-N 3.39Å; M165-T167 VanDerWaalsContact O-N 3.13Å; M165-Q168 PolarHBondContact O-N 3.42Å; M165-Q168 VanDerWaalsContact O-N 3.1Å; M165-V171 HydrophobicContact CE-CB 4.01Å; M165-V171 HydrophobicContact CE-CG1 4.03Å; M165-V171 HydrophobicContact CE-CG2 4.19Å; M165-V171 HydrophobicContact SD-CG1 4.33Å; M165-V171 HydrophobicContact SD-CG2 4.29Å; M165-L176 HydrophobicContact CE-CD2 4.23Å; M165-I179 HydrophobicContact SD-CD1 4.16Å |
| 166 | L | 96.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.9 | -28.9 | 170.7 | -92 | 168.8 | 0 | 0 | 0 | 114.8 | D118 Y121 R124 D162 R163 F164 | D118-L166 HydrophobicContact CB-CD1 4.48Å; D118-L166 HydrophobicContact CB-CD2 4.25Å; Y121-L166 HydrophobicContact CD1-CG 4.08Å; Y121-L166 HydrophobicContact CG-CG 4.47Å; R124-L166 PolarHBondContact NH1-O 3.23Å; D162-L166 PolarHBondContact O-N 2.96Å; R163-L166 WeakPolarHBondContact O-CB 3.46Å; R163-L166 PolarHBondContact O-N 2.68Å; F164-L166 PolarHBondContact O-N 2.75Å |
| 167 | T | 96.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -84.8 | -26 | 178.4 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | R124 F164 M165 A224 | R124-T167 PolarHBondContact NH1-O 3.48Å; F164-T167 WeakPolarHBondContact O-CB 3.36Å; F164-T167 PolarHBondContact O-N 2.79Å; F164-T167 PolarHBondContact O-OG1 3.19Å; M165-T167 PolarHBondContact O-N 3.39Å; M165-T167 VanDerWaalsContact O-N 3.13Å; T167-A224 HydrophobicContact CG2-CB 4.37Å; T167-A224 WeakPolarHBondContact CG2-O 3.4Å |
| 168 | Q | 97.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | trans | -92.6 | 171 | -170.2 | -58.4 | -58.4 | -61.6 | 0 | 0 | 113.2 | R124 H125 F164 M165 V171 H220 | R124-Q168 VanDerWaalsContact CZ-O 3.26Å; R124-Q168 PolarHBondContact NE-O 2.7Å; R124-Q168 PolarHBondContact NH1-O 2.83Å; R124-Q168 VanDerWaalsContact NH1-O 3.14Å; H125-Q168 VanDerWaalsContact CE1-C 3.49Å; H125-Q168 PolarHBondContact CE1-O 3.42Å; H125-Q168 VanDerWaalsContact CE1-O 3.27Å; F164-Q168 HydrophobicContact CD1-CG 4.04Å; F164-Q168 HydrophobicContact CD2-CG 4.35Å; F164-Q168 HydrophobicContact CE1-CG 3.61Å; F164-Q168 HydrophobicContact CE2-CG 3.94Å; F164-Q168 HydrophobicContact CG-CG 4.41Å; F164-Q168 HydrophobicContact CZ-CG 3.55Å; F164-Q168 WeakPolarHBondContact O-CG 2.9Å; F164-Q168 PolarHBondContact O-N 3.45Å; M165-Q168 PolarHBondContact O-N 3.42Å; M165-Q168 VanDerWaalsContact O-N 3.1Å; Q168-V171 HydrophobicContact CB-CG2 3.74Å; Q168-V171 HydrophobicContact CG-CG2 4.42Å; Q168-H220 PolarHBondContact NE2-NE2 3.34Å; Q168-H220 PolarHBondContact OE1-CE1 3.03Å | ||
| 169 | E | 96.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 43.2 Ų | 43.2 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | trans | -133.3 | 149.9 | 171.3 | -62 | -166.4 | 166.2 | 0 | 0 | 111.5 | R124 V171 | R124-E169 IonicContact CZ-OE1 2.87Å; R124-E169 IonicContact NE-OE1 3.31Å; R124-E169 VanDerWaalsContact NH2-CD 3.34Å; R124-E169 IonicContact NH2-OE1 2.71Å; R124-E169 PolarHBondContact NH2-OE1 3.32Å; E169-V171 PolarHBondContact O-N 3.06Å | ||
| 170 | N | 96.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 53.6 | 16.3 | 167 | -69.4 | -67 | 0 | 0 | 0 | 117.2 | R124 H125 N172 | R124-N170 PolarHBondContact O-N 2.74Å; H125-N170 PolarHBondContact ND1-N 2.84Å; H125-N170 VanDerWaalsContact ND1-N 3.16Å; N170-N172 PolarHBondContact O-N 3.21Å |
| 171 | V | 97.7 | Very high | 97.7 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | trans | -41.8 | 125.2 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | H125 L128 M165 Q168 E169 I179 | H125-V171 PolarHBondContact ND1-N 3.01Å; L128-V171 HydrophobicContact CD1-CB 4.36Å; L128-V171 HydrophobicContact CD1-CG1 4.43Å; M165-V171 HydrophobicContact CE-CB 4.01Å; M165-V171 HydrophobicContact CE-CG1 4.03Å; M165-V171 HydrophobicContact CE-CG2 4.19Å; M165-V171 HydrophobicContact SD-CG1 4.33Å; M165-V171 HydrophobicContact SD-CG2 4.29Å; Q168-V171 HydrophobicContact CB-CG2 3.74Å; Q168-V171 HydrophobicContact CG-CG2 4.42Å; E169-V171 PolarHBondContact O-N 3.06Å; V171-I179 HydrophobicContact CG1-CD1 3.83Å | ||
| 172 | N | 96.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | trans | -77.6 | 142.9 | 174.4 | -173.9 | 17.6 | 0 | 0 | 0 | 110 | N170 D174 Y175 | N170-N172 PolarHBondContact O-N 3.21Å; N172-D174 PolarHBondContact ND2-OD2 3.49Å; N172-D174 PolarHBondContact O-N 2.95Å; N172-Y175 HydrophobicContact CB-CD2 3.96Å; N172-Y175 HydrophobicContact CB-CE2 4.26Å; N172-Y175 PolarHBondContact O-N 2.92Å | ||
| 173 | K | 96 | Very high | 97.7 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -53.1 | -30.4 | -179.8 | 73.2 | -172.8 | -179.6 | 175.9 | 0 | 113 | L128 M132 Y175 L176 | L128-K173 HydrophobicContact CD2-CB 3.82Å; M132-K173 HydrophobicContact SD-CB 3.93Å; K173-Y175 PolarHBondContact O-N 3.47Å; K173-L176 HydrophobicContact CB-CD1 4.41Å; K173-L176 VanDerWaalsContact O-CB 3.3Å; K173-L176 WeakPolarHBondContact O-CB 3.38Å; K173-L176 WeakPolarHBondContact O-CG 3.39Å; K173-L176 PolarHBondContact O-N 3.47Å; K173-L176 VanDerWaalsContact O-N 3.09Å |
| 174 | D | 95.6 | Very high | 97.8 | Very high | 111 Ų | 111 | 42 Ų | 42 | 59% | 0.594 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -68.8 | -19.9 | -175.9 | -51 | -40.2 | 0 | 0 | 0 | 111.8 | N172 | N172-D174 PolarHBondContact ND2-OD2 3.49Å; N172-D174 PolarHBondContact O-N 2.95Å |
| 175 | Y | 97.5 | Very high | 97.8 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -86.5 | -9.4 | 173.4 | -66.7 | -69.3 | 0 | 0 | 0 | 114.2 | N172 K173 Q177 L178 I179 | N172-Y175 HydrophobicContact CB-CD2 3.96Å; N172-Y175 HydrophobicContact CB-CE2 4.26Å; N172-Y175 PolarHBondContact O-N 2.92Å; K173-Y175 PolarHBondContact O-N 3.47Å; Y175-Q177 VanDerWaalsContact C-N 3.31Å; Y175-Q177 PolarHBondContact O-N 3.39Å; Y175-L178 HydrophobicContact CD1-CD2 4.19Å; Y175-L178 PolarHBondContact O-N 2.8Å; Y175-L178 VanDerWaalsContact O-N 3.16Å; Y175-I179 VanDerWaalsContact O-CG1 3.31Å; Y175-I179 WeakPolarHBondContact O-CG1 3.45Å; Y175-I179 PolarHBondContact O-N 3.38Å |
| 176 | L | 98.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | -175 | -72.9 | 177.6 | 0 | 0 | 0 | 112.6 | L128 M132 L136 F161 M165 K173 I179 G180 | L128-L176 HydrophobicContact CD1-CD2 4.15Å; L128-L176 HydrophobicContact CD2-CD1 4.12Å; L128-L176 HydrophobicContact CD2-CG 4.47Å; M132-L176 HydrophobicContact CB-CD1 3.71Å; M132-L176 HydrophobicContact SD-CD1 4.48Å; L136-L176 WeakPolarHBondContact CD1-O 3.34Å; L136-L176 HydrophobicContact CD2-CB 4.29Å; L136-L176 WeakPolarHBondContact CD2-O 3.45Å; F161-L176 HydrophobicContact CE2-CD2 3.9Å; F161-L176 HydrophobicContact CZ-CD2 3.78Å; M165-L176 HydrophobicContact CE-CD2 4.23Å; K173-L176 HydrophobicContact CB-CD1 4.41Å; K173-L176 VanDerWaalsContact O-CB 3.3Å; K173-L176 WeakPolarHBondContact O-CB 3.38Å; K173-L176 WeakPolarHBondContact O-CG 3.39Å; K173-L176 PolarHBondContact O-N 3.47Å; K173-L176 VanDerWaalsContact O-N 3.09Å; L176-I179 PolarHBondContact O-N 3.29Å; L176-G180 PolarHBondContact O-N 3.11Å |
| 177 | Q | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 28% | 0.28 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.8 | -166.2 | 175.6 | 19.1 | 0 | 0 | 111.4 | W139 Y175 G180 I181 A208 | W139-Q177 HydrophobicContact CE3-CG 4.35Å; W139-Q177 HydrophobicContact CH2-CG 3.56Å; W139-Q177 HydrophobicContact CZ2-CG 4.27Å; W139-Q177 VanDerWaalsContact CZ2-NE2 3.33Å; W139-Q177 HydrophobicContact CZ3-CG 3.62Å; Y175-Q177 VanDerWaalsContact C-N 3.31Å; Y175-Q177 PolarHBondContact O-N 3.39Å; Q177-G180 PolarHBondContact O-N 2.75Å; Q177-I181 WeakPolarHBondContact O-CB 3.29Å; Q177-I181 VanDerWaalsContact O-CG2 3.27Å; Q177-I181 WeakPolarHBondContact O-CG2 3.31Å; Q177-I181 PolarHBondContact O-N 3.19Å; Q177-A208 VanDerWaalsContact OE1-CB 3.23Å |
| 178 | L | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 177.3 | 178.7 | 62 | 0 | 0 | 0 | 111.7 | Y175 T182 C209 D213 I214 T217 | Y175-L178 HydrophobicContact CD1-CD2 4.19Å; Y175-L178 PolarHBondContact O-N 2.8Å; Y175-L178 VanDerWaalsContact O-N 3.16Å; L178-T182 WeakPolarHBondContact O-CB 3.46Å; L178-T182 PolarHBondContact O-N 3.46Å; L178-T182 VanDerWaalsContact O-N 3.07Å; L178-T182 PolarHBondContact O-OG1 2.99Å; L178-C209 VanDerWaalsContact CA-SG 3.53Å; L178-C209 HydrophobicContact CD1-CB 3.89Å; L178-D213 HydrophobicContact CD1-CB 3.74Å; L178-D213 HydrophobicContact CD2-CB 3.97Å; L178-I214 HydrophobicContact CD1-CG1 3.85Å; L178-T217 WeakPolarHBondContact CD2-OG1 3.47Å; L178-T217 HydrophobicContact CG-CG2 4.32Å; L178-T217 WeakPolarHBondContact CG-OG1 3.44Å |
| 179 | I | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -48.5 | 178.2 | -61.8 | 163.3 | 0 | 0 | 0 | 110 | F161 F164 M165 V171 Y175 L176 T182 A183 T217 I221 | F161-I179 HydrophobicContact CD2-CB 4.45Å; F161-I179 HydrophobicContact CD2-CG2 3.76Å; F161-I179 HydrophobicContact CE2-CB 4.47Å; F161-I179 HydrophobicContact CE2-CG2 4.08Å; F164-I179 HydrophobicContact CD1-CG2 3.53Å; F164-I179 HydrophobicContact CE1-CD1 4.01Å; F164-I179 HydrophobicContact CE1-CG1 4.06Å; F164-I179 HydrophobicContact CE1-CG2 3.86Å; M165-I179 HydrophobicContact SD-CD1 4.16Å; V171-I179 HydrophobicContact CG1-CD1 3.83Å; Y175-I179 VanDerWaalsContact O-CG1 3.31Å; Y175-I179 WeakPolarHBondContact O-CG1 3.45Å; Y175-I179 PolarHBondContact O-N 3.38Å; L176-I179 PolarHBondContact O-N 3.29Å; I179-T182 PolarHBondContact O-N 2.99Å; I179-A183 WeakPolarHBondContact O-CB 3.48Å; I179-A183 PolarHBondContact O-N 2.9Å; I179-T217 HydrophobicContact CG1-CG2 4.5Å; I179-I221 HydrophobicContact CG2-CD1 4.29Å |
| 180 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L176 Q177 T182 A183 L184 | L176-G180 PolarHBondContact O-N 3.11Å; Q177-G180 PolarHBondContact O-N 2.75Å; G180-T182 VanDerWaalsContact C-N 3.29Å; G180-T182 PolarHBondContact O-N 3.09Å; G180-A183 PolarHBondContact O-N 3.37Å; G180-L184 PolarHBondContact O-N 3.44Å |
| 181 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -31.8 | 179.4 | -157.5 | 57.9 | 0 | 0 | 0 | 111.8 | W139 L140 V143 Q177 L184 F185 F201 V204 T205 I214 | W139-I181 HydrophobicContact CH2-CB 3.97Å; W139-I181 HydrophobicContact CH2-CD1 3.66Å; W139-I181 HydrophobicContact CH2-CG1 4Å; W139-I181 HydrophobicContact CZ2-CD1 4.44Å; W139-I181 HydrophobicContact CZ3-CB 4.13Å; W139-I181 HydrophobicContact CZ3-CD1 4.09Å; L140-I181 HydrophobicContact CD2-CD1 4.31Å; V143-I181 HydrophobicContact CG1-CD1 4.16Å; Q177-I181 WeakPolarHBondContact O-CB 3.29Å; Q177-I181 VanDerWaalsContact O-CG2 3.27Å; Q177-I181 WeakPolarHBondContact O-CG2 3.31Å; Q177-I181 PolarHBondContact O-N 3.19Å; I181-L184 HydrophobicContact CD1-CD2 4.39Å; I181-L184 PolarHBondContact O-N 2.81Å; I181-F185 WeakPolarHBondContact O-CB 3.45Å; I181-F185 PolarHBondContact O-N 3.49Å; I181-F201 HydrophobicContact CD1-CD1 3.7Å; I181-F201 HydrophobicContact CD1-CE1 4.37Å; I181-F201 HydrophobicContact CG1-CB 4.25Å; I181-F201 HydrophobicContact CG1-CD1 3.93Å; I181-V204 HydrophobicContact CD1-CG1 3.86Å; I181-V204 HydrophobicContact CG1-CG1 4.43Å; I181-T205 HydrophobicContact CB-CG2 4.31Å; I181-T205 HydrophobicContact CG1-CG2 4.01Å; I181-T205 HydrophobicContact CG2-CG2 4.02Å; I181-I214 HydrophobicContact CG2-CD1 4.2Å; I181-I214 HydrophobicContact CG2-CG1 4.25Å |
| 182 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.5 | -41.2 | 173.7 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | L178 I179 G180 L184 F185 I186 I214 T217 E218 I221 | L178-T182 WeakPolarHBondContact O-CB 3.46Å; L178-T182 PolarHBondContact O-N 3.46Å; L178-T182 VanDerWaalsContact O-N 3.07Å; L178-T182 PolarHBondContact O-OG1 2.99Å; I179-T182 PolarHBondContact O-N 2.99Å; G180-T182 VanDerWaalsContact C-N 3.29Å; G180-T182 PolarHBondContact O-N 3.09Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.07Å; T182-F185 WeakPolarHBondContact O-CB 3.49Å; T182-F185 PolarHBondContact O-N 2.93Å; T182-I186 HydrophobicContact CG2-CD1 4.32Å; T182-I186 WeakPolarHBondContact O-CG1 3.25Å; T182-I186 PolarHBondContact O-N 3.13Å; T182-I214 HydrophobicContact CG2-CG2 4.2Å; T182-I214 WeakPolarHBondContact CG2-O 3.28Å; T182-T217 HydrophobicContact CG2-CG2 3.99Å; T182-E218 VanDerWaalsContact CG2-CA 3.46Å; T182-E218 HydrophobicContact CG2-CB 3.75Å; T182-E218 VanDerWaalsContact CG2-N 3.32Å; T182-I221 HydrophobicContact CG2-CD1 3.88Å |
| 183 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A157 F161 I179 G180 I186 A187 | A157-A183 WeakPolarHBondContact O-CB 3.44Å; F161-A183 HydrophobicContact CB-CB 4.48Å; I179-A183 WeakPolarHBondContact O-CB 3.48Å; I179-A183 PolarHBondContact O-N 2.9Å; G180-A183 PolarHBondContact O-N 3.37Å; A183-I186 PolarHBondContact O-N 3.08Å; A183-A187 WeakPolarHBondContact O-CB 3.15Å; A183-A187 PolarHBondContact O-N 3.25Å |
| 184 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.3 | -36.6 | 174.3 | -169.1 | 64.8 | 0 | 0 | 0 | 112.9 | L140 V143 L149 T153 A157 G180 I181 T182 A187 S188 F201 | L140-L184 HydrophobicContact CD2-CB 4.21Å; L140-L184 HydrophobicContact CD2-CD2 4.02Å; V143-L184 HydrophobicContact CB-CD2 4.31Å; V143-L184 HydrophobicContact CG1-CD2 3.78Å; L149-L184 HydrophobicContact CD1-CD1 3.98Å; L149-L184 HydrophobicContact CD1-CD2 4.1Å; L149-L184 HydrophobicContact CD1-CG 4.07Å; T153-L184 HydrophobicContact CG2-CD1 4.11Å; A157-L184 HydrophobicContact CB-CB 3.92Å; A157-L184 HydrophobicContact CB-CD1 3.62Å; A157-L184 HydrophobicContact CB-CG 4.39Å; G180-L184 PolarHBondContact O-N 3.44Å; I181-L184 HydrophobicContact CD1-CD2 4.39Å; I181-L184 PolarHBondContact O-N 2.81Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.07Å; L184-A187 PolarHBondContact O-N 3.43Å; L184-S188 WeakPolarHBondContact O-CB 3.1Å; L184-S188 PolarHBondContact O-N 3.41Å; L184-S188 PolarHBondContact O-OG 3.49Å; L184-F201 HydrophobicContact CB-CE1 4.28Å; L184-F201 HydrophobicContact CD2-CE1 4.07Å; L184-F201 HydrophobicContact CG-CE1 3.95Å |
| 185 | F | 98.9 | Very high | 98.4 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.3 | 175.5 | -118.8 | 0 | 0 | 0 | 112.5 | I181 T182 K189 L198 F201 I214 E218 | I181-F185 WeakPolarHBondContact O-CB 3.45Å; I181-F185 PolarHBondContact O-N 3.49Å; T182-F185 WeakPolarHBondContact O-CB 3.49Å; T182-F185 PolarHBondContact O-N 2.93Å; F185-K189 HydrophobicContact CE1-CD 4.17Å; F185-K189 HydrophobicContact CE2-CD 3.96Å; F185-K189 HydrophobicContact CE2-CG 4.24Å; F185-K189 HydrophobicContact CZ-CD 3.72Å; F185-K189 HydrophobicContact CZ-CG 4.49Å; F185-K189 WeakPolarHBondContact O-CG 3.37Å; F185-K189 PolarHBondContact O-N 3.43Å; F185-L198 HydrophobicContact CD1-CD1 4.16Å; F185-L198 HydrophobicContact CE1-CD1 3.88Å; F185-L198 HydrophobicContact CE2-CB 4.12Å; F185-L198 HydrophobicContact CE2-CD1 4.33Å; F185-L198 HydrophobicContact CZ-CB 4.01Å; F185-L198 HydrophobicContact CZ-CD1 3.96Å; F185-L198 HydrophobicContact CZ-CG 4.45Å; F185-F201 HydrophobicContact CB-CD1 4.21Å; F185-F201 HydrophobicContact CB-CD2 4.19Å; F185-F201 HydrophobicContact CB-CE1 4.4Å; F185-F201 HydrophobicContact CB-CE2 4.35Å; F185-F201 HydrophobicContact CB-CG 4.12Å; F185-F201 HydrophobicContact CB-CZ 4.47Å; F185-F201 AromaticContact CD2-CD2 3.5Å; F185-F201 HydrophobicContact CD2-CD2 3.5Å; F185-F201 VanDerWaalsContact CD2-CD2 3.5Å; F185-F201 AromaticContact CD2-CE2 3.66Å; F185-F201 HydrophobicContact CD2-CE2 3.66Å; F185-F201 HydrophobicContact CD2-CG 4.2Å; F185-F201 HydrophobicContact CD2-CZ 4.49Å; F185-F201 HydrophobicContact CE2-CD2 4.31Å; F185-F201 HydrophobicContact CG-CD2 4.24Å; F185-F201 HydrophobicContact CG-CE2 4.49Å; F185-I214 HydrophobicContact CD1-CG2 4.05Å; F185-I214 HydrophobicContact CG-CG2 4.49Å; F185-E218 VanDerWaalsContact CD1-OE1 3.24Å; F185-E218 WeakPolarHBondContact CD1-OE1 3.38Å; F185-E218 VanDerWaalsContact CE1-OE1 3.23Å; F185-E218 WeakPolarHBondContact CE1-OE1 3.48Å |
| 186 | I | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 173.9 | -63.9 | 164.1 | 0 | 0 | 0 | 109.5 | Y160 T182 A183 S188 K189 I190 E218 I221 L222 L229 | Y160-I186 HydrophobicContact CD2-CB 4.21Å; Y160-I186 HydrophobicContact CD2-CG2 4.04Å; Y160-I186 HydrophobicContact CE2-CB 4.14Å; Y160-I186 HydrophobicContact CE2-CG2 3.65Å; T182-I186 HydrophobicContact CG2-CD1 4.32Å; T182-I186 WeakPolarHBondContact O-CG1 3.25Å; T182-I186 PolarHBondContact O-N 3.13Å; A183-I186 PolarHBondContact O-N 3.08Å; I186-S188 VanDerWaalsContact C-N 3.3Å; I186-S188 PolarHBondContact O-N 3.04Å; I186-K189 PolarHBondContact O-N 2.76Å; I186-K189 VanDerWaalsContact O-N 3.11Å; I186-I190 WeakPolarHBondContact O-CG1 3.46Å; I186-I190 PolarHBondContact O-N 2.83Å; I186-E218 HydrophobicContact CD1-CB 4.5Å; I186-E218 HydrophobicContact CD1-CG 4.33Å; I186-E218 HydrophobicContact CG1-CB 4.49Å; I186-E218 HydrophobicContact CG1-CG 4.09Å; I186-E218 WeakPolarHBondContact CG1-OE1 3.28Å; I186-I221 HydrophobicContact CD1-CB 3.83Å; I186-I221 HydrophobicContact CD1-CD1 4.27Å; I186-I221 HydrophobicContact CD1-CG2 3.67Å; I186-L222 HydrophobicContact CD1-CD2 4.3Å; I186-L222 HydrophobicContact CD1-CG 4.2Å; I186-L222 HydrophobicContact CG2-CD2 4Å; I186-L229 HydrophobicContact CG2-CD1 4.24Å; I186-L229 HydrophobicContact CG2-CD2 4.28Å |
| 187 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -43.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T153 L156 A157 Y160 A183 L184 K189 I190 E191 | T153-A187 HydrophobicContact CG2-CB 4.05Å; T153-A187 VanDerWaalsContact O-CB 3.27Å; T153-A187 WeakPolarHBondContact O-CB 3.33Å; L156-A187 HydrophobicContact CB-CB 3.69Å; A157-A187 HydrophobicContact CB-CB 4.11Å; Y160-A187 HydrophobicContact CD2-CB 4.33Å; Y160-A187 HydrophobicContact CE2-CB 3.83Å; A183-A187 WeakPolarHBondContact O-CB 3.15Å; A183-A187 PolarHBondContact O-N 3.25Å; L184-A187 PolarHBondContact O-N 3.43Å; A187-K189 VanDerWaalsContact C-N 3.29Å; A187-K189 PolarHBondContact O-N 2.92Å; A187-I190 PolarHBondContact O-N 3.25Å; A187-E191 PolarHBondContact O-N 3.08Å |
| 188 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | T153 L184 I186 I190 E192 F201 | T153-S188 WeakPolarHBondContact CG2-OG 3.46Å; L184-S188 WeakPolarHBondContact O-CB 3.1Å; L184-S188 PolarHBondContact O-N 3.41Å; L184-S188 PolarHBondContact O-OG 3.49Å; I186-S188 VanDerWaalsContact C-N 3.3Å; I186-S188 PolarHBondContact O-N 3.04Å; S188-I190 VanDerWaalsContact C-N 3.26Å; S188-I190 PolarHBondContact O-N 3.47Å; S188-E192 WeakPolarHBondContact O-CB 3.49Å; S188-E192 WeakPolarHBondContact O-CG 3.36Å; S188-E192 PolarHBondContact O-N 3.04Å; S188-F201 WeakPolarHBondContact OG-CZ 3.4Å |
| 189 | K | 98.7 | Very high | 98.3 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 39% | 0.391 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.1 | -16.8 | 176.3 | -71.6 | -173.1 | -64.1 | 168 | 0 | 114.4 | F185 I186 A187 P195 E218 | F185-K189 HydrophobicContact CE1-CD 4.17Å; F185-K189 HydrophobicContact CE2-CD 3.96Å; F185-K189 HydrophobicContact CE2-CG 4.24Å; F185-K189 HydrophobicContact CZ-CD 3.72Å; F185-K189 HydrophobicContact CZ-CG 4.49Å; F185-K189 WeakPolarHBondContact O-CG 3.37Å; F185-K189 PolarHBondContact O-N 3.43Å; I186-K189 PolarHBondContact O-N 2.76Å; I186-K189 VanDerWaalsContact O-N 3.11Å; A187-K189 VanDerWaalsContact C-N 3.29Å; A187-K189 PolarHBondContact O-N 2.92Å; K189-P195 HydrophobicContact CG-CB 4.45Å; K189-P195 HydrophobicContact CG-CG 4.26Å; K189-E218 WeakPolarHBondContact CE-OE1 3.45Å; K189-E218 IonicContact NZ-OE1 2.77Å; K189-E218 PolarHBondContact NZ-OE1 2.74Å; K189-E218 IonicContact NZ-OE2 2.64Å; K189-E218 PolarHBondContact NZ-OE2 3.46Å |
| 190 | I | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 48.5 Ų | 48.5 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -87.9 | -42.7 | 176.1 | -64.7 | -64 | 0 | 0 | 0 | 110.8 | L156 I186 A187 S188 L229 | L156-I190 HydrophobicContact CD1-CG2 4.45Å; I186-I190 WeakPolarHBondContact O-CG1 3.46Å; I186-I190 PolarHBondContact O-N 2.83Å; A187-I190 PolarHBondContact O-N 3.25Å; S188-I190 VanDerWaalsContact C-N 3.26Å; S188-I190 PolarHBondContact O-N 3.47Å; I190-L229 HydrophobicContact CD1-CD1 4.23Å |
| 191 | E | 98.3 | Very high | 98.3 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -100.9 | -36.9 | -168.6 | -170.1 | 66.2 | -159.6 | 0 | 0 | 114.1 | H150 Q152 T153 L156 A187 | H150-E191 HydrophobicContact CB-CG 4.49Å; Q152-E191 HydrophobicContact CB-CG 4Å; Q152-E191 HydrophobicContact CG-CG 3.9Å; Q152-E191 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E191 VanDerWaalsContact CG-OE2 3.3Å; Q152-E191 WeakPolarHBondContact CG-OE2 3.44Å; T153-E191 WeakPolarHBondContact OG1-CB 3.23Å; T153-E191 WeakPolarHBondContact OG1-CG 3.35Å; L156-E191 HydrophobicContact CD1-CB 4.18Å; A187-E191 PolarHBondContact O-N 3.08Å |
| 192 | E | 98.1 | Very high | 98.2 | Very high | 28 Ų | 28 | 49 Ų | 49 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | trans | -83.2 | 137.4 | -171.9 | -54.9 | -66.2 | 160.8 | 0 | 0 | 112.2 | L149 H150 T153 S188 Y194 P195 | L149-E192 WeakPolarHBondContact CA-OE1 3.47Å; L149-E192 HydrophobicContact CD2-CG 4.06Å; H150-E192 IonicContact CE1-OE2 2.74Å; H150-E192 PolarHBondContact CE1-OE2 3.28Å; H150-E192 VanDerWaalsContact CE1-OE2 3.31Å; H150-E192 IonicContact CG-OE1 2.77Å; H150-E192 PolarHBondContact N-OE1 2.63Å; H150-E192 VanDerWaalsContact ND1-CD 3.3Å; H150-E192 IonicContact ND1-OE1 3.64Å; H150-E192 PolarHBondContact ND1-OE1 2.91Å; H150-E192 IonicContact ND1-OE2 3.39Å; H150-E192 PolarHBondContact ND1-OE2 2.9Å; T153-E192 WeakPolarHBondContact CB-OE1 3.39Å; T153-E192 HydrophobicContact CG2-CG 4.41Å; T153-E192 PolarHBondContact OG1-OE1 3.19Å; S188-E192 WeakPolarHBondContact O-CB 3.49Å; S188-E192 WeakPolarHBondContact O-CG 3.36Å; S188-E192 PolarHBondContact O-N 3.04Å; E192-Y194 VanDerWaalsContact C-N 3.27Å; E192-Y194 PolarHBondContact O-N 2.93Å; E192-P195 HydrophobicContact CB-CB 4.16Å; E192-P195 WeakPolarHBondContact O-CD 3.37Å | ||
| 193 | I | 96.8 | Very high | 98.1 | Very high | 140 Ų | 140 | 56.5 Ų | 56.5 | 72% | 0.718 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.7 | -38.1 | 171.7 | -55.6 | 176.3 | 0 | 0 | 0 | 110.6 | ||
| 194 | Y | 96.6 | Very high | 98.1 | Very high | 201 Ų | 201 | 57.7 Ų | 57.7 | 79% | 0.788 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -134.8 | 75.1 | -178.6 | -60 | -60.9 | 0 | 0 | 0 | 110.7 | E192 | E192-Y194 VanDerWaalsContact C-N 3.27Å; E192-Y194 PolarHBondContact O-N 2.93Å |
| 195 | P | 97.8 | Very high | 97.9 | Very high | 26 Ų | 26 | 58 Ų | 58 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 147.9 | -178.4 | 24.2 | -34 | 0 | 0 | 0 | 111.8 | K189 E192 K197 | K189-P195 HydrophobicContact CG-CB 4.45Å; K189-P195 HydrophobicContact CG-CG 4.26Å; E192-P195 HydrophobicContact CB-CB 4.16Å; E192-P195 WeakPolarHBondContact O-CD 3.37Å; P195-K197 PolarHBondContact O-NZ 2.76Å |
| 196 | P | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 148.6 | 169.6 | -17.6 | 28.4 | 0 | 0 | 0 | 110.4 | Y147 L149 E200 F201 | Y147-P196 HydrophobicContact CD1-CB 4.02Å; Y147-P196 HydrophobicContact CD1-CG 3.84Å; Y147-P196 HydrophobicContact CE1-CB 4.27Å; Y147-P196 HydrophobicContact CG-CB 4.46Å; Y147-P196 HydrophobicContact CG-CG 3.92Å; L149-P196 HydrophobicContact CD2-CG 3.94Å; P196-E200 HydrophobicContact CB-CB 4.22Å; P196-F201 HydrophobicContact CB-CD2 4.18Å; P196-F201 HydrophobicContact CB-CE2 3.61Å; P196-F201 HydrophobicContact CB-CZ 4.19Å; P196-F201 HydrophobicContact CG-CE2 3.93Å; P196-F201 HydrophobicContact CG-CZ 4.04Å; P196-F201 WeakPolarHBondContact O-CE2 3.49Å |
| 197 | K | 98 | Very high | 97.2 | Very high | 101 Ų | 101 | 72.4 Ų | 72.4 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 154.1 | -178.7 | -53.9 | -50.3 | 168.4 | -140.1 | 0 | 110.2 | P195 Y199 E200 F201 | P195-K197 PolarHBondContact O-NZ 2.76Å; K197-Y199 HydrophobicContact CB-CD1 3.64Å; K197-Y199 HydrophobicContact CB-CE1 3.35Å; K197-Y199 HydrophobicContact CG-CE1 3.86Å; K197-Y199 PolarHBondContact O-N 3.5Å; K197-E200 HydrophobicContact CB-CG 4.39Å; K197-E200 WeakPolarHBondContact CB-OE2 3.34Å; K197-E200 PolarHBondContact N-OE2 3.31Å; K197-E200 WeakPolarHBondContact O-CA 3.44Å; K197-E200 VanDerWaalsContact O-CB 3.26Å; K197-E200 WeakPolarHBondContact O-CB 3.37Å; K197-E200 PolarHBondContact O-N 3.28Å; K197-F201 PolarHBondContact O-N 2.97Å |
| 198 | L | 97.9 | Very high | 96.9 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.1 | -34.2 | -178.2 | 177.8 | 60.5 | 0 | 0 | 0 | 113.8 | F185 E200 F201 A202 V211 I214 Q215 | F185-L198 HydrophobicContact CD1-CD1 4.16Å; F185-L198 HydrophobicContact CE1-CD1 3.88Å; F185-L198 HydrophobicContact CE2-CB 4.12Å; F185-L198 HydrophobicContact CE2-CD1 4.33Å; F185-L198 HydrophobicContact CZ-CB 4.01Å; F185-L198 HydrophobicContact CZ-CD1 3.96Å; F185-L198 HydrophobicContact CZ-CG 4.45Å; L198-E200 VanDerWaalsContact C-N 3.3Å; L198-E200 PolarHBondContact O-N 3.3Å; L198-F201 PolarHBondContact O-N 3.06Å; L198-A202 PolarHBondContact O-N 2.76Å; L198-V211 HydrophobicContact CD2-CG1 3.67Å; L198-V211 HydrophobicContact CG-CG1 4Å; L198-I214 HydrophobicContact CD1-CB 3.83Å; L198-I214 HydrophobicContact CD1-CD1 4.37Å; L198-I214 HydrophobicContact CD1-CG2 3.39Å; L198-Q215 HydrophobicContact CD2-CG 3.56Å |
| 199 | Y | 97.6 | Very high | 96.8 | Very high | 155 Ų | 155 | 75.6 Ų | 75.6 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71 | -23.9 | 176.4 | 70.8 | -97.8 | 0 | 0 | 0 | 113.3 | K197 Y203 | K197-Y199 HydrophobicContact CB-CD1 3.64Å; K197-Y199 HydrophobicContact CB-CE1 3.35Å; K197-Y199 HydrophobicContact CG-CE1 3.86Å; K197-Y199 PolarHBondContact O-N 3.5Å; Y199-Y203 WeakPolarHBondContact O-CB 3.31Å; Y199-Y203 PolarHBondContact O-N 2.76Å |
| 200 | E | 98.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 76.2 Ų | 76.2 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -74.1 | -42.1 | 175.2 | -55.5 | 179.8 | 77.9 | 0 | 0 | 109.8 | Y147 P196 K197 L198 A202 Y203 V204 | Y147-E200 HydrophobicContact CE1-CB 3.97Å; Y147-E200 PolarHBondContact OH-O 3.23Å; Y147-E200 VanDerWaalsContact OH-O 3.07Å; P196-E200 HydrophobicContact CB-CB 4.22Å; K197-E200 HydrophobicContact CB-CG 4.39Å; K197-E200 WeakPolarHBondContact CB-OE2 3.34Å; K197-E200 PolarHBondContact N-OE2 3.31Å; K197-E200 WeakPolarHBondContact O-CA 3.44Å; K197-E200 VanDerWaalsContact O-CB 3.26Å; K197-E200 WeakPolarHBondContact O-CB 3.37Å; K197-E200 PolarHBondContact O-N 3.28Å; L198-E200 VanDerWaalsContact C-N 3.3Å; L198-E200 PolarHBondContact O-N 3.3Å; E200-A202 PolarHBondContact O-N 3.03Å; E200-Y203 WeakPolarHBondContact O-CB 3.39Å; E200-Y203 PolarHBondContact O-N 2.86Å; E200-V204 PolarHBondContact O-N 2.89Å |
| 201 | F | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 170.5 | -76 | -79.1 | 0 | 0 | 0 | 112.9 | I181 L184 F185 S188 P196 K197 L198 V204 T205 I214 | I181-F201 HydrophobicContact CD1-CD1 3.7Å; I181-F201 HydrophobicContact CD1-CE1 4.37Å; I181-F201 HydrophobicContact CG1-CB 4.25Å; I181-F201 HydrophobicContact CG1-CD1 3.93Å; L184-F201 HydrophobicContact CB-CE1 4.28Å; L184-F201 HydrophobicContact CD2-CE1 4.07Å; L184-F201 HydrophobicContact CG-CE1 3.95Å; F185-F201 HydrophobicContact CB-CD1 4.21Å; F185-F201 HydrophobicContact CB-CD2 4.19Å; F185-F201 HydrophobicContact CB-CE1 4.4Å; F185-F201 HydrophobicContact CB-CE2 4.35Å; F185-F201 HydrophobicContact CB-CG 4.12Å; F185-F201 HydrophobicContact CB-CZ 4.47Å; F185-F201 AromaticContact CD2-CD2 3.5Å; F185-F201 HydrophobicContact CD2-CD2 3.5Å; F185-F201 VanDerWaalsContact CD2-CD2 3.5Å; F185-F201 AromaticContact CD2-CE2 3.66Å; F185-F201 HydrophobicContact CD2-CE2 3.66Å; F185-F201 HydrophobicContact CD2-CG 4.2Å; F185-F201 HydrophobicContact CD2-CZ 4.49Å; F185-F201 HydrophobicContact CE2-CD2 4.31Å; F185-F201 HydrophobicContact CG-CD2 4.24Å; F185-F201 HydrophobicContact CG-CE2 4.49Å; S188-F201 WeakPolarHBondContact OG-CZ 3.4Å; P196-F201 HydrophobicContact CB-CD2 4.18Å; P196-F201 HydrophobicContact CB-CE2 3.61Å; P196-F201 HydrophobicContact CB-CZ 4.19Å; P196-F201 HydrophobicContact CG-CE2 3.93Å; P196-F201 HydrophobicContact CG-CZ 4.04Å; P196-F201 WeakPolarHBondContact O-CE2 3.49Å; K197-F201 PolarHBondContact O-N 2.97Å; L198-F201 PolarHBondContact O-N 3.06Å; F201-V204 WeakPolarHBondContact O-CG1 3.41Å; F201-T205 WeakPolarHBondContact O-CG2 3.48Å; F201-I214 HydrophobicContact CB-CD1 4.42Å |
| 202 | A | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 79.3 Ų | 79.3 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L198 E200 V204 T205 V211 I214 | L198-A202 PolarHBondContact O-N 2.76Å; E200-A202 PolarHBondContact O-N 3.03Å; A202-V204 PolarHBondContact O-N 3.25Å; A202-T205 PolarHBondContact O-N 3.37Å; A202-T205 PolarHBondContact O-OG1 3.32Å; A202-V211 HydrophobicContact CB-CG2 3.77Å; A202-I214 HydrophobicContact CB-CD1 4.06Å |
| 203 | Y | 97.4 | Very high | 96.7 | Very high | 157 Ų | 157 | 81.2 Ų | 81.2 | 62% | 0.616 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59 | -44.3 | -178.8 | 175 | -97.8 | 0 | 0 | 0 | 113.1 | Y199 E200 T205 D206 | Y199-Y203 WeakPolarHBondContact O-CB 3.31Å; Y199-Y203 PolarHBondContact O-N 2.76Å; E200-Y203 WeakPolarHBondContact O-CB 3.39Å; E200-Y203 PolarHBondContact O-N 2.86Å; Y203-T205 PolarHBondContact O-N 3.15Å; Y203-T205 VanDerWaalsContact O-N 3.13Å; Y203-D206 PolarHBondContact O-N 2.83Å; Y203-D206 VanDerWaalsContact O-N 3.1Å |
| 204 | V | 97.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 74.5 Ų | 74.5 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.5 | -178.6 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | W139 V143 Y147 I181 E200 F201 A202 D206 | W139-V204 HydrophobicContact CZ2-CG1 4.41Å; V143-V204 HydrophobicContact CG1-CG1 4.03Å; V143-V204 HydrophobicContact CG1-CG2 4.35Å; V143-V204 HydrophobicContact CG2-CG1 4.27Å; V143-V204 HydrophobicContact CG2-CG2 3.84Å; Y147-V204 HydrophobicContact CE2-CB 4.13Å; Y147-V204 HydrophobicContact CE2-CG1 4.22Å; Y147-V204 HydrophobicContact CE2-CG2 4.24Å; I181-V204 HydrophobicContact CD1-CG1 3.86Å; I181-V204 HydrophobicContact CG1-CG1 4.43Å; E200-V204 PolarHBondContact O-N 2.89Å; F201-V204 WeakPolarHBondContact O-CG1 3.41Å; A202-V204 PolarHBondContact O-N 3.25Å; V204-D206 VanDerWaalsContact C-N 3.28Å; V204-D206 PolarHBondContact O-N 3Å |
| 205 | T | 95.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 0.1 | 172.6 | 74.7 | 0 | 0 | 0 | 0 | 114.4 | W139 I181 F201 A202 Y203 K207 A208 C209 | W139-T205 HydrophobicContact CH2-CG2 4.12Å; I181-T205 HydrophobicContact CB-CG2 4.31Å; I181-T205 HydrophobicContact CG1-CG2 4.01Å; I181-T205 HydrophobicContact CG2-CG2 4.02Å; F201-T205 WeakPolarHBondContact O-CG2 3.48Å; A202-T205 PolarHBondContact O-N 3.37Å; A202-T205 PolarHBondContact O-OG1 3.32Å; Y203-T205 PolarHBondContact O-N 3.15Å; Y203-T205 VanDerWaalsContact O-N 3.13Å; T205-K207 VanDerWaalsContact C-N 3.27Å; T205-K207 PolarHBondContact O-N 2.72Å; T205-A208 VanDerWaalsContact O-CB 3.23Å; T205-A208 WeakPolarHBondContact O-CB 3.28Å; T205-A208 PolarHBondContact O-N 2.76Å; T205-A208 VanDerWaalsContact O-N 3.12Å; T205-A208 PolarHBondContact OG1-N 3.44Å; T205-C209 HydrophobicContact CG2-CB 3.75Å; T205-C209 PolarHBondContact OG1-N 2.93Å; T205-C209 PolarHBondContact OG1-O 2.85Å |
| 206 | D | 94.2 | Very high | 96.9 | Very high | 144 Ų | 144 | 70.4 Ų | 70.4 | 77% | 0.77 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 44.6 | -172 | -165.9 | 27.8 | 0 | 0 | 0 | 112.6 | Y203 V204 A208 | Y203-D206 PolarHBondContact O-N 2.83Å; Y203-D206 VanDerWaalsContact O-N 3.1Å; V204-D206 VanDerWaalsContact C-N 3.28Å; V204-D206 PolarHBondContact O-N 3Å; D206-A208 PolarHBondContact O-N 2.98Å |
| 207 | K | 89.4 | Confident | 96.9 | Very high | 181 Ų | 181 | 70.6 Ų | 70.6 | 79% | 0.787 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 17.6 | -178 | -46.2 | 172.5 | -175.3 | 172 | 0 | 115 | T205 C209 | T205-K207 VanDerWaalsContact C-N 3.27Å; T205-K207 PolarHBondContact O-N 2.72Å; K207-C209 VanDerWaalsContact C-N 3.29Å |
| 208 | A | 93.3 | Very high | 96.9 | Very high | 62 Ų | 62 | 67 Ų | 67 | 51% | 0.512 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75.1 | -19.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | Q177 T205 D206 | Q177-A208 VanDerWaalsContact OE1-CB 3.23Å; T205-A208 VanDerWaalsContact O-CB 3.23Å; T205-A208 WeakPolarHBondContact O-CB 3.28Å; T205-A208 PolarHBondContact O-N 2.76Å; T205-A208 VanDerWaalsContact O-N 3.12Å; T205-A208 PolarHBondContact OG1-N 3.44Å; D206-A208 PolarHBondContact O-N 2.98Å |
| 209 | C | 95.6 | Very high | 97 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.027 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -134.8 | 120.4 | 178 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | L178 T205 K207 I214 | L178-C209 VanDerWaalsContact CA-SG 3.53Å; L178-C209 HydrophobicContact CD1-CB 3.89Å; T205-C209 HydrophobicContact CG2-CB 3.75Å; T205-C209 PolarHBondContact OG1-N 2.93Å; T205-C209 PolarHBondContact OG1-O 2.85Å; K207-C209 VanDerWaalsContact C-N 3.29Å; C209-I214 HydrophobicContact CB-CD1 4.31Å; C209-I214 HydrophobicContact CB-CG1 4.27Å |
| 210 | D | 96.6 | Very high | 97 | Very high | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | trans | -81.9 | 156.8 | 176.1 | -82 | -26.6 | 0 | 0 | 0 | 112.1 | W212 D213 I214 | D210-W212 PolarHBondContact O-N 3.14Å; D210-W212 VanDerWaalsContact O-N 3.15Å; D210-D213 PolarHBondContact O-N 3.08Å; D210-I214 PolarHBondContact O-N 3.25Å; D210-I214 VanDerWaalsContact O-N 3.13Å | ||
| 211 | V | 98 | Very high | 97.1 | Very high | 57 Ų | 57 | 64.5 Ų | 64.5 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -51.3 | -38 | 177.2 | 167.5 | 0 | 0 | 0 | 0 | 112.3 | L198 A202 Q215 | L198-V211 HydrophobicContact CD2-CG1 3.67Å; L198-V211 HydrophobicContact CG-CG1 4Å; A202-V211 HydrophobicContact CB-CG2 3.77Å; V211-Q215 WeakPolarHBondContact O-CG 2.92Å; V211-Q215 PolarHBondContact O-N 2.87Å |
| 212 | W | 97.9 | Very high | 97.1 | Very high | 171 Ų | 171 | 65 Ų | 65 | 65% | 0.648 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70 | -43 | 178.8 | -179 | -99.6 | 0 | 0 | 0 | 112.4 | D210 I214 Q215 C216 | D210-W212 PolarHBondContact O-N 3.14Å; D210-W212 VanDerWaalsContact O-N 3.15Å; W212-I214 VanDerWaalsContact C-N 3.31Å; W212-I214 PolarHBondContact O-N 3.12Å; W212-Q215 WeakPolarHBondContact O-CB 3.27Å; W212-Q215 PolarHBondContact O-N 3.4Å; W212-Q215 VanDerWaalsContact O-N 3.14Å; W212-C216 PolarHBondContact O-N 3.4Å |
| 213 | D | 98.1 | Very high | 97.2 | Very high | 67 Ų | 67 | 71 Ų | 71 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | -179.8 | -61.7 | -33.9 | 0 | 0 | 0 | 111.3 | L178 D210 C216 T217 | L178-D213 HydrophobicContact CD1-CB 3.74Å; L178-D213 HydrophobicContact CD2-CB 3.97Å; D210-D213 PolarHBondContact O-N 3.08Å; D213-C216 PolarHBondContact O-N 3.07Å; D213-T217 WeakPolarHBondContact O-CB 3.44Å; D213-T217 PolarHBondContact O-N 2.94Å; D213-T217 PolarHBondContact O-OG1 2.92Å |
| 214 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.7 | -61.6 | 170.1 | 0 | 0 | 0 | 110.3 | L178 I181 T182 F185 L198 F201 A202 C209 D210 W212 E218 | L178-I214 HydrophobicContact CD1-CG1 3.85Å; I181-I214 HydrophobicContact CG2-CD1 4.2Å; I181-I214 HydrophobicContact CG2-CG1 4.25Å; T182-I214 HydrophobicContact CG2-CG2 4.2Å; T182-I214 WeakPolarHBondContact CG2-O 3.28Å; F185-I214 HydrophobicContact CD1-CG2 4.05Å; F185-I214 HydrophobicContact CG-CG2 4.49Å; L198-I214 HydrophobicContact CD1-CB 3.83Å; L198-I214 HydrophobicContact CD1-CD1 4.37Å; L198-I214 HydrophobicContact CD1-CG2 3.39Å; F201-I214 HydrophobicContact CB-CD1 4.42Å; A202-I214 HydrophobicContact CB-CD1 4.06Å; C209-I214 HydrophobicContact CB-CD1 4.31Å; C209-I214 HydrophobicContact CB-CG1 4.27Å; D210-I214 PolarHBondContact O-N 3.25Å; D210-I214 VanDerWaalsContact O-N 3.13Å; W212-I214 VanDerWaalsContact C-N 3.31Å; W212-I214 PolarHBondContact O-N 3.12Å; I214-E218 WeakPolarHBondContact O-CB 3.25Å; I214-E218 PolarHBondContact O-N 3.19Å |
| 215 | Q | 98.5 | Very high | 97.3 | Very high | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.8 | -73.3 | 172 | -20.5 | 0 | 0 | 113 | L198 V211 W212 E218 L219 | L198-Q215 HydrophobicContact CD2-CG 3.56Å; V211-Q215 WeakPolarHBondContact O-CG 2.92Å; V211-Q215 PolarHBondContact O-N 2.87Å; W212-Q215 WeakPolarHBondContact O-CB 3.27Å; W212-Q215 PolarHBondContact O-N 3.4Å; W212-Q215 VanDerWaalsContact O-N 3.14Å; Q215-E218 PolarHBondContact O-N 3.34Å; Q215-L219 PolarHBondContact O-N 3.21Å |
| 216 | C | 98.5 | Very high | 97.4 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 42% | 0.419 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 177 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | W212 D213 E218 L219 H220 | W212-C216 PolarHBondContact O-N 3.4Å; D213-C216 PolarHBondContact O-N 3.07Å; C216-E218 VanDerWaalsContact C-N 3.31Å; C216-E218 PolarHBondContact O-N 2.96Å; C216-L219 PolarHBondContact O-N 3.46Å; C216-H220 PolarHBondContact O-N 3.28Å |
| 217 | T | 98.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 70.8 Ų | 70.8 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | L178 I179 T182 D213 H220 I221 | L178-T217 WeakPolarHBondContact CD2-OG1 3.47Å; L178-T217 HydrophobicContact CG-CG2 4.32Å; L178-T217 WeakPolarHBondContact CG-OG1 3.44Å; I179-T217 HydrophobicContact CG1-CG2 4.5Å; T182-T217 HydrophobicContact CG2-CG2 3.99Å; D213-T217 WeakPolarHBondContact O-CB 3.44Å; D213-T217 PolarHBondContact O-N 2.94Å; D213-T217 PolarHBondContact O-OG1 2.92Å; T217-H220 WeakPolarHBondContact O-CB 3.47Å; T217-H220 PolarHBondContact O-N 2.87Å; T217-H220 VanDerWaalsContact O-N 3.1Å; T217-I221 HydrophobicContact CG2-CD1 3.97Å; T217-I221 HydrophobicContact CG2-CG1 4.29Å; T217-I221 WeakPolarHBondContact O-CG1 3.22Å; T217-I221 PolarHBondContact O-N 2.97Å |
| 218 | E | 98.9 | Very high | 98 | Very high | 26 Ų | 26 | 64 Ų | 64 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 176.9 | 160.9 | 160.5 | -82.6 | 0 | 0 | 110.6 | T182 F185 I186 K189 I214 Q215 C216 H220 I221 L222 | T182-E218 VanDerWaalsContact CG2-CA 3.46Å; T182-E218 HydrophobicContact CG2-CB 3.75Å; T182-E218 VanDerWaalsContact CG2-N 3.32Å; F185-E218 VanDerWaalsContact CD1-OE1 3.24Å; F185-E218 WeakPolarHBondContact CD1-OE1 3.38Å; F185-E218 VanDerWaalsContact CE1-OE1 3.23Å; F185-E218 WeakPolarHBondContact CE1-OE1 3.48Å; I186-E218 HydrophobicContact CD1-CB 4.5Å; I186-E218 HydrophobicContact CD1-CG 4.33Å; I186-E218 HydrophobicContact CG1-CB 4.49Å; I186-E218 HydrophobicContact CG1-CG 4.09Å; I186-E218 WeakPolarHBondContact CG1-OE1 3.28Å; K189-E218 WeakPolarHBondContact CE-OE1 3.45Å; K189-E218 IonicContact NZ-OE1 2.77Å; K189-E218 PolarHBondContact NZ-OE1 2.74Å; K189-E218 IonicContact NZ-OE2 2.64Å; K189-E218 PolarHBondContact NZ-OE2 3.46Å; I214-E218 WeakPolarHBondContact O-CB 3.25Å; I214-E218 PolarHBondContact O-N 3.19Å; Q215-E218 PolarHBondContact O-N 3.34Å; C216-E218 VanDerWaalsContact C-N 3.31Å; C216-E218 PolarHBondContact O-N 2.96Å; E218-H220 PolarHBondContact O-N 3.08Å; E218-I221 PolarHBondContact O-N 3.48Å; E218-L222 HydrophobicContact CG-CD1 3.53Å; E218-L222 HydrophobicContact CG-CG 4.21Å; E218-L222 WeakPolarHBondContact O-CB 3.25Å; E218-L222 WeakPolarHBondContact O-CG 3.43Å; E218-L222 PolarHBondContact O-N 3Å |
| 219 | L | 98.7 | Very high | 98.2 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -26.4 | 177.5 | -68.6 | 174.5 | 0 | 0 | 0 | 112.7 | Q215 C216 K223 | Q215-L219 PolarHBondContact O-N 3.21Å; C216-L219 PolarHBondContact O-N 3.46Å; L219-K223 WeakPolarHBondContact O-CB 3.36Å; L219-K223 WeakPolarHBondContact O-CD 3.39Å; L219-K223 WeakPolarHBondContact O-CG 3.45Å; L219-K223 PolarHBondContact O-N 2.9Å |
| 220 | H | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 64.7 Ų | 64.7 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.7 | -49 | 174.4 | -169.1 | -166.8 | 0 | 0 | 0 | 111.6 | F164 Q168 C216 T217 E218 K223 A224 | F164-H220 AromaticContact CZ-CE1 3.88Å; F164-H220 AromaticContact CZ-ND1 3.75Å; Q168-H220 PolarHBondContact NE2-NE2 3.34Å; Q168-H220 PolarHBondContact OE1-CE1 3.03Å; C216-H220 PolarHBondContact O-N 3.28Å; T217-H220 WeakPolarHBondContact O-CB 3.47Å; T217-H220 PolarHBondContact O-N 2.87Å; T217-H220 VanDerWaalsContact O-N 3.1Å; E218-H220 PolarHBondContact O-N 3.08Å; H220-K223 PolarHBondContact O-N 2.98Å; H220-A224 VanDerWaalsContact O-CB 3.28Å; H220-A224 WeakPolarHBondContact O-CB 3.39Å; H220-A224 PolarHBondContact O-N 3.03Å |
| 221 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 177.1 | -66 | 171.8 | 0 | 0 | 0 | 110.5 | F164 I179 T182 I186 T217 E218 K223 A224 L225 | F164-I221 HydrophobicContact CD1-CG1 4.18Å; F164-I221 HydrophobicContact CD2-CB 4.15Å; F164-I221 HydrophobicContact CD2-CG1 3.74Å; F164-I221 HydrophobicContact CD2-CG2 4.42Å; F164-I221 HydrophobicContact CE1-CG1 4.29Å; F164-I221 HydrophobicContact CE2-CB 4.43Å; F164-I221 HydrophobicContact CE2-CG1 3.87Å; F164-I221 HydrophobicContact CG-CG1 3.89Å; F164-I221 HydrophobicContact CZ-CG1 4.14Å; I179-I221 HydrophobicContact CG2-CD1 4.29Å; T182-I221 HydrophobicContact CG2-CD1 3.88Å; I186-I221 HydrophobicContact CD1-CB 3.83Å; I186-I221 HydrophobicContact CD1-CD1 4.27Å; I186-I221 HydrophobicContact CD1-CG2 3.67Å; T217-I221 HydrophobicContact CG2-CD1 3.97Å; T217-I221 HydrophobicContact CG2-CG1 4.29Å; T217-I221 WeakPolarHBondContact O-CG1 3.22Å; T217-I221 PolarHBondContact O-N 2.97Å; E218-I221 PolarHBondContact O-N 3.48Å; I221-K223 VanDerWaalsContact C-N 3.3Å; I221-K223 PolarHBondContact O-N 3.08Å; I221-A224 PolarHBondContact O-N 3.21Å; I221-L225 HydrophobicContact CG2-CD1 3.73Å; I221-L225 HydrophobicContact CG2-CG 4.26Å; I221-L225 WeakPolarHBondContact O-CB 3.32Å; I221-L225 WeakPolarHBondContact O-CG 3.38Å; I221-L225 PolarHBondContact O-N 3.4Å |
| 222 | L | 98.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | -179.1 | -69.1 | 170.7 | 0 | 0 | 0 | 112.8 | I186 E218 W227 L229 | I186-L222 HydrophobicContact CD1-CD2 4.3Å; I186-L222 HydrophobicContact CD1-CG 4.2Å; I186-L222 HydrophobicContact CG2-CD2 4Å; E218-L222 HydrophobicContact CG-CD1 3.53Å; E218-L222 HydrophobicContact CG-CG 4.21Å; E218-L222 WeakPolarHBondContact O-CB 3.25Å; E218-L222 WeakPolarHBondContact O-CG 3.43Å; E218-L222 PolarHBondContact O-N 3Å; L222-W227 HydrophobicContact CB-CD2 4.41Å; L222-W227 HydrophobicContact CB-CH2 4.33Å; L222-W227 HydrophobicContact CB-CZ2 4.2Å; L222-W227 HydrophobicContact CB-CZ3 4.48Å; L222-W227 HydrophobicContact CD1-CH2 3.82Å; L222-W227 HydrophobicContact CD1-CZ2 4.42Å; L222-W227 HydrophobicContact CD1-CZ3 3.98Å; L222-W227 HydrophobicContact CD2-CE3 4.08Å; L222-W227 HydrophobicContact CD2-CZ3 4.03Å; L222-W227 HydrophobicContact CG-CH2 4.49Å; L222-W227 HydrophobicContact CG-CZ3 4.41Å; L222-W227 PolarHBondContact O-N 3.48Å; L222-L229 HydrophobicContact CD2-CD1 3.49Å; L222-L229 VanDerWaalsContact CD2-CD1 3.49Å; L222-L229 HydrophobicContact CD2-CD2 4.13Å; L222-L229 HydrophobicContact CD2-CG 4.37Å |
| 223 | K | 98.6 | Very high | 98.2 | Very high | 137 Ų | 137 | 50.5 Ų | 50.5 | 60% | 0.596 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -73.1 | -45.4 | 176.6 | -73 | 174.4 | -175.4 | 179.7 | 0 | 112.3 | L219 H220 I221 L225 D226 | L219-K223 WeakPolarHBondContact O-CB 3.36Å; L219-K223 WeakPolarHBondContact O-CD 3.39Å; L219-K223 WeakPolarHBondContact O-CG 3.45Å; L219-K223 PolarHBondContact O-N 2.9Å; H220-K223 PolarHBondContact O-N 2.98Å; I221-K223 VanDerWaalsContact C-N 3.3Å; I221-K223 PolarHBondContact O-N 3.08Å; K223-L225 PolarHBondContact O-N 3.19Å; K223-D226 PolarHBondContact O-N 3.25Å |
| 224 | A | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -29.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F164 T167 H220 I221 D226 | F164-A224 HydrophobicContact CD2-CB 3.75Å; F164-A224 HydrophobicContact CE2-CB 3.77Å; T167-A224 HydrophobicContact CG2-CB 4.37Å; T167-A224 WeakPolarHBondContact CG2-O 3.4Å; H220-A224 VanDerWaalsContact O-CB 3.28Å; H220-A224 WeakPolarHBondContact O-CB 3.39Å; H220-A224 PolarHBondContact O-N 3.03Å; I221-A224 PolarHBondContact O-N 3.21Å; A224-D226 VanDerWaalsContact C-N 3.33Å |
| 225 | L | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 4.7 | 174.2 | -61.5 | -177.6 | 0 | 0 | 0 | 113.8 | Y160 R163 I221 K223 W227 N228 L229 | Y160-L225 HydrophobicContact CD1-CD1 4.26Å; Y160-L225 HydrophobicContact CG-CD1 4.27Å; R163-L225 HydrophobicContact CB-CD2 3.66Å; I221-L225 HydrophobicContact CG2-CD1 3.73Å; I221-L225 HydrophobicContact CG2-CG 4.26Å; I221-L225 WeakPolarHBondContact O-CB 3.32Å; I221-L225 WeakPolarHBondContact O-CG 3.38Å; I221-L225 PolarHBondContact O-N 3.4Å; K223-L225 PolarHBondContact O-N 3.19Å; L225-W227 PolarHBondContact O-N 3.16Å; L225-W227 VanDerWaalsContact O-N 3.17Å; L225-N228 VanDerWaalsContact O-CB 3.27Å; L225-N228 WeakPolarHBondContact O-CB 3.35Å; L225-N228 PolarHBondContact O-N 2.82Å; L225-N228 PolarHBondContact O-ND2 3.18Å; L225-L229 HydrophobicContact CD1-CD2 4.2Å |
| 226 | D | 98 | Very high | 98.2 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.9 | -174.1 | -68.5 | -48.7 | 0 | 0 | 0 | 113.3 | K223 A224 N228 | K223-D226 PolarHBondContact O-N 3.25Å; A224-D226 VanDerWaalsContact C-N 3.33Å; D226-N228 WeakPolarHBondContact CB-ND2 3.27Å; D226-N228 PolarHBondContact O-N 3.27Å; D226-N228 PolarHBondContact O-ND2 3.34Å |
| 227 | W | 98.3 | Very high | 98.2 | Very high | 166 Ų | 166 | 41.8 Ų | 41.8 | 63% | 0.629 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 17.5 | -174.5 | -59.9 | 80.7 | 0 | 0 | 0 | 115.4 | L222 L225 L229 | L222-W227 HydrophobicContact CB-CD2 4.41Å; L222-W227 HydrophobicContact CB-CH2 4.33Å; L222-W227 HydrophobicContact CB-CZ2 4.2Å; L222-W227 HydrophobicContact CB-CZ3 4.48Å; L222-W227 HydrophobicContact CD1-CH2 3.82Å; L222-W227 HydrophobicContact CD1-CZ2 4.42Å; L222-W227 HydrophobicContact CD1-CZ3 3.98Å; L222-W227 HydrophobicContact CD2-CE3 4.08Å; L222-W227 HydrophobicContact CD2-CZ3 4.03Å; L222-W227 HydrophobicContact CG-CH2 4.49Å; L222-W227 HydrophobicContact CG-CZ3 4.41Å; L222-W227 PolarHBondContact O-N 3.48Å; L225-W227 PolarHBondContact O-N 3.16Å; L225-W227 VanDerWaalsContact O-N 3.17Å; W227-L229 HydrophobicContact CE3-CD1 4.48Å; W227-L229 PolarHBondContact O-N 3.48Å |
| 228 | N | 97.8 | Very high | 98.1 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | trans | -79.1 | 85.6 | 173.5 | -61 | -70.6 | 0 | 0 | 0 | 109.7 | K114 Y115 R163 L225 D226 | K114-N228 WeakPolarHBondContact CE-OD1 3.38Å; K114-N228 PolarHBondContact NZ-OD1 2.71Å; Y115-N228 HydrophobicContact CE1-CB 3.98Å; Y115-N228 VanDerWaalsContact CE1-O 3.31Å; Y115-N228 WeakPolarHBondContact CE1-O 3.36Å; R163-N228 PolarHBondContact NH1-O 3.4Å; R163-N228 PolarHBondContact NH2-O 3.12Å; L225-N228 VanDerWaalsContact O-CB 3.27Å; L225-N228 WeakPolarHBondContact O-CB 3.35Å; L225-N228 PolarHBondContact O-N 2.82Å; L225-N228 PolarHBondContact O-ND2 3.18Å; D226-N228 WeakPolarHBondContact CB-ND2 3.27Å; D226-N228 PolarHBondContact O-N 3.27Å; D226-N228 PolarHBondContact O-ND2 3.34Å | ||
| 229 | L | 97.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | trans | -110.6 | 5 | -171.4 | -58.8 | 175.8 | 0 | 0 | 0 | 114.2 | Y115 Y160 I186 I190 L222 L225 W227 P231 | Y115-L229 PolarHBondContact OH-N 3.26Å; Y160-L229 HydrophobicContact CD1-CD2 4.35Å; Y160-L229 HydrophobicContact CE1-CB 4.16Å; Y160-L229 HydrophobicContact CE1-CD2 4.06Å; Y160-L229 WeakPolarHBondContact CE1-O 3.42Å; Y160-L229 HydrophobicContact CE2-CD2 4.36Å; Y160-L229 PolarHBondContact OH-O 3.35Å; I186-L229 HydrophobicContact CG2-CD1 4.24Å; I186-L229 HydrophobicContact CG2-CD2 4.28Å; I190-L229 HydrophobicContact CD1-CD1 4.23Å; L222-L229 HydrophobicContact CD2-CD1 3.49Å; L222-L229 VanDerWaalsContact CD2-CD1 3.49Å; L222-L229 HydrophobicContact CD2-CD2 4.13Å; L222-L229 HydrophobicContact CD2-CG 4.37Å; L225-L229 HydrophobicContact CD1-CD2 4.2Å; W227-L229 HydrophobicContact CE3-CD1 4.48Å; W227-L229 PolarHBondContact O-N 3.48Å; L229-P231 VanDerWaalsContact C-CD 3.43Å; L229-P231 WeakPolarHBondContact O-CD 3.38Å | ||
| 230 | C | 96.8 | Very high | 98 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | trans | -122.2 | 70.1 | -176 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | K111 Y115 | K111-C230 WeakPolarHBondContact CD-O 3.46Å; K111-C230 WeakPolarHBondContact CE-O 3.3Å; K111-C230 PolarHBondContact NZ-O 3.06Å; Y115-C230 VanDerWaalsContact CZ-O 3.31Å; Y115-C230 PolarHBondContact OH-N 3.17Å; Y115-C230 PolarHBondContact OH-O 3.16Å | ||
| 231 | P | 97.3 | Very high | 98 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | trans | -63.3 | 172.7 | 168.1 | 31.4 | -39 | 0 | 0 | 0 | 111.6 | K111 Y115 L156 D159 L229 T233 | K111-P231 PolarHBondContact NZ-O 3.32Å; K111-P231 VanDerWaalsContact NZ-O 3.09Å; Y115-P231 HydrophobicContact CD1-CB 3.59Å; Y115-P231 HydrophobicContact CD1-CG 4.4Å; Y115-P231 HydrophobicContact CE1-CB 4.03Å; Y115-P231 HydrophobicContact CE1-CG 4.5Å; Y115-P231 VanDerWaalsContact CE1-N 3.32Å; Y115-P231 HydrophobicContact CG-CB 4.05Å; L156-P231 HydrophobicContact CD2-CG 3.56Å; D159-P231 HydrophobicContact CB-CG 4.25Å; D159-P231 WeakPolarHBondContact OD2-CG 3.25Å; L229-P231 VanDerWaalsContact C-CD 3.43Å; L229-P231 WeakPolarHBondContact O-CD 3.38Å; P231-T233 HydrophobicContact CG-CG2 3.81Å | ||
| 232 | E | 97.1 | Very high | 97.9 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | trans | -97.9 | 102.2 | 154.3 | -70.1 | -48.8 | 142.8 | 0 | 0 | 107.7 | M108 K111 W237 Y284 | M108-E232 HydrophobicContact CB-CG 4.31Å; M108-E232 HydrophobicContact CE-CG 4.19Å; M108-E232 HydrophobicContact CG-CG 4.47Å; K111-E232 HydrophobicContact CB-CG 4.34Å; K111-E232 HydrophobicContact CD-CG 3.62Å; K111-E232 WeakPolarHBondContact CD-OE1 3.29Å; K111-E232 VanDerWaalsContact CE-OE1 3.27Å; K111-E232 WeakPolarHBondContact CE-OE1 3.47Å; K111-E232 IonicContact NZ-OE1 2.65Å; K111-E232 PolarHBondContact NZ-OE1 3.02Å; E232-W237 HydrophobicContact CB-CZ2 4.27Å; E232-W237 HydrophobicContact CG-CZ2 4.46Å; E232-W237 PolarHBondContact O-NE1 3.19Å; E232-Y284 VanDerWaalsContact O-CD2 3.29Å; E232-Y284 WeakPolarHBondContact O-CD2 3.48Å | ||
| 233 | T | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -76.5 | 164.5 | -172.8 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | Q152 L156 P231 I235 S236 W237 | Q152-T233 PolarHBondContact OE1-OG1 3.31Å; L156-T233 HydrophobicContact CD2-CG2 3.91Å; L156-T233 HydrophobicContact CG-CG2 4.26Å; P231-T233 HydrophobicContact CG-CG2 3.81Å; T233-I235 PolarHBondContact O-N 3.23Å; T233-I235 WeakPolarHBondContact OG1-CG2 3.46Å; T233-I235 PolarHBondContact OG1-N 3.09Å; T233-S236 PolarHBondContact N-OG 2.95Å; T233-S236 WeakPolarHBondContact O-CB 3.43Å; T233-S236 PolarHBondContact O-N 3.26Å; T233-S236 PolarHBondContact OG1-N 3.19Å; T233-S236 PolarHBondContact OG1-OG 3.32Å; T233-W237 PolarHBondContact O-N 2.94Å | ||
| 234 | P | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.1 | -35.6 | 173.9 | -24.8 | 33.2 | 0 | 0 | 0 | 113.3 | Y155 L238 L270 M274 Y284 A288 | Y155-P234 HydrophobicContact CD1-CB 4.17Å; Y155-P234 HydrophobicContact CD1-CG 4Å; Y155-P234 HydrophobicContact CE1-CB 3.95Å; Y155-P234 HydrophobicContact CE1-CG 4.09Å; P234-L238 WeakPolarHBondContact O-CB 3.48Å; P234-L238 PolarHBondContact O-N 3.43Å; P234-L270 HydrophobicContact CB-CD1 4.41Å; P234-M274 HydrophobicContact CG-CE 4.19Å; P234-M274 HydrophobicContact CG-SD 4.3Å; P234-Y284 VanDerWaalsContact CD-CG 3.47Å; P234-Y284 HydrophobicContact CG-CD1 3.45Å; P234-Y284 VanDerWaalsContact CG-CD1 3.45Å; P234-Y284 HydrophobicContact CG-CD2 4.41Å; P234-Y284 HydrophobicContact CG-CE1 4.06Å; P234-Y284 HydrophobicContact CG-CG 3.65Å; P234-A288 WeakPolarHBondContact O-CB 3.38Å |
| 235 | I | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74 | -32.1 | 178.2 | -171.8 | 69.7 | 0 | 0 | 0 | 112 | R151 Y155 T233 L238 K239 Y263 T267 | R151-I235 HydrophobicContact CB-CD1 4.36Å; R151-I235 HydrophobicContact CB-CG1 3.93Å; Y155-I235 HydrophobicContact CD1-CG2 4.3Å; Y155-I235 HydrophobicContact CD2-CB 4.03Å; Y155-I235 HydrophobicContact CD2-CG2 3.72Å; Y155-I235 HydrophobicContact CE2-CB 4.25Å; Y155-I235 HydrophobicContact CE2-CG2 4.43Å; Y155-I235 HydrophobicContact CG-CB 4.17Å; Y155-I235 HydrophobicContact CG-CG2 3.64Å; T233-I235 PolarHBondContact O-N 3.23Å; T233-I235 WeakPolarHBondContact OG1-CG2 3.46Å; T233-I235 PolarHBondContact OG1-N 3.09Å; I235-L238 HydrophobicContact CD1-CD2 4.38Å; I235-K239 WeakPolarHBondContact O-CB 3.32Å; I235-K239 PolarHBondContact O-N 3.18Å; I235-Y263 HydrophobicContact CD1-CE1 4.11Å; I235-Y263 HydrophobicContact CD1-CE2 4.4Å; I235-Y263 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y263 WeakPolarHBondContact CG1-OH 3.34Å; I235-T267 HydrophobicContact CD1-CG2 3.28Å |
| 236 | S | 97.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -48.1 | 171.3 | -41 | 0 | 0 | 0 | 0 | 111.1 | Q152 T233 K239 L240 | Q152-S236 PolarHBondContact NE2-OG 3.27Å; Q152-S236 VanDerWaalsContact NE2-OG 3.11Å; Q152-S236 PolarHBondContact OE1-OG 2.76Å; T233-S236 PolarHBondContact N-OG 2.95Å; T233-S236 WeakPolarHBondContact O-CB 3.43Å; T233-S236 PolarHBondContact O-N 3.26Å; T233-S236 PolarHBondContact OG1-N 3.19Å; T233-S236 PolarHBondContact OG1-OG 3.32Å; S236-K239 PolarHBondContact O-N 2.83Å; S236-L240 PolarHBondContact O-N 3.17Å; S236-L240 VanDerWaalsContact O-N 3.08Å |
| 237 | W | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.3 | -78.3 | 116.1 | 0 | 0 | 0 | 112.7 | W105 M108 L109 E112 E232 T233 K239 L240 Y241 A288 | W105-W237 HydrophobicContact CE3-CZ3 4.34Å; W105-W237 HydrophobicContact CH2-CH2 4.45Å; W105-W237 AromaticContact CH2-CZ3 3.86Å; W105-W237 HydrophobicContact CH2-CZ3 3.86Å; W105-W237 HydrophobicContact CZ3-CH2 4.3Å; W105-W237 AromaticContact CZ3-CZ3 3.58Å; W105-W237 HydrophobicContact CZ3-CZ3 3.58Å; M108-W237 HydrophobicContact CB-CH2 3.86Å; M108-W237 HydrophobicContact CB-CZ2 4.34Å; M108-W237 HydrophobicContact CE-CE3 4.23Å; M108-W237 HydrophobicContact CE-CH2 4.28Å; M108-W237 HydrophobicContact CE-CZ3 4.03Å; L109-W237 HydrophobicContact CD2-CH2 4.03Å; E112-W237 HydrophobicContact CB-CZ2 4.28Å; E232-W237 HydrophobicContact CB-CZ2 4.27Å; E232-W237 HydrophobicContact CG-CZ2 4.46Å; E232-W237 PolarHBondContact O-NE1 3.19Å; T233-W237 PolarHBondContact O-N 2.94Å; W237-K239 PolarHBondContact O-N 2.59Å; W237-L240 HydrophobicContact CE3-CD2 4.13Å; W237-L240 HydrophobicContact CZ3-CD2 4.05Å; W237-L240 WeakPolarHBondContact O-CB 3.31Å; W237-L240 PolarHBondContact O-N 3.01Å; W237-Y241 HydrophobicContact CB-CE2 4.19Å; W237-Y241 AromaticContact CE3-CE1 3.81Å; W237-Y241 HydrophobicContact CE3-CE1 3.81Å; W237-Y241 AromaticContact CE3-CZ 3.73Å; W237-Y241 VanDerWaalsContact CE3-OH 3.31Å; W237-Y241 HydrophobicContact CZ3-CE1 4.32Å; W237-Y241 WeakPolarHBondContact O-CD2 3.37Å; W237-Y241 VanDerWaalsContact O-CG 3.23Å; W237-Y241 PolarHBondContact O-N 3.37Å; W237-A288 HydrophobicContact CB-CB 3.57Å |
| 238 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 177.3 | 175.9 | 62.7 | 0 | 0 | 0 | 111.2 | P234 I235 L240 Y241 V242 Y263 I266 T267 L270 A288 F292 | P234-L238 WeakPolarHBondContact O-CB 3.48Å; P234-L238 PolarHBondContact O-N 3.43Å; I235-L238 HydrophobicContact CD1-CD2 4.38Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 2.83Å; L238-Y241 PolarHBondContact O-N 2.95Å; L238-Y241 VanDerWaalsContact O-N 3.13Å; L238-V242 HydrophobicContact CD1-CG1 4Å; L238-V242 WeakPolarHBondContact O-CG2 3.45Å; L238-V242 PolarHBondContact O-N 2.87Å; L238-Y263 HydrophobicContact CD2-CD2 4.39Å; L238-Y263 HydrophobicContact CD2-CE2 4.14Å; L238-Y263 HydrophobicContact CG-CD2 4.47Å; L238-Y263 HydrophobicContact CG-CE2 4.11Å; L238-I266 HydrophobicContact CD1-CB 4.39Å; L238-I266 HydrophobicContact CD1-CD1 4.36Å; L238-I266 HydrophobicContact CD1-CG2 3.66Å; L238-I266 HydrophobicContact CD2-CB 3.98Å; L238-I266 HydrophobicContact CD2-CG2 3.65Å; L238-I266 HydrophobicContact CG-CG2 4.33Å; L238-T267 HydrophobicContact CD2-CG2 3.79Å; L238-L270 HydrophobicContact CB-CD1 4.16Å; L238-L270 HydrophobicContact CD2-CD1 3.71Å; L238-L270 HydrophobicContact CG-CD1 4.49Å; L238-A288 HydrophobicContact CB-CB 4.13Å; L238-F292 HydrophobicContact CD1-CB 4.07Å; L238-F292 HydrophobicContact CD1-CG 4.48Å |
| 239 | K | 97.5 | Very high | 96.1 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 177.1 | -178.3 | 172.4 | -74.8 | -173.7 | 0 | 111.4 | I235 S236 W237 V242 Q243 F258 Y263 N347 | I235-K239 WeakPolarHBondContact O-CB 3.32Å; I235-K239 PolarHBondContact O-N 3.18Å; S236-K239 PolarHBondContact O-N 2.83Å; W237-K239 PolarHBondContact O-N 2.59Å; K239-V242 WeakPolarHBondContact O-CG2 3.43Å; K239-Q243 WeakPolarHBondContact O-CB 3.4Å; K239-Q243 PolarHBondContact O-N 2.72Å; K239-F258 HydrophobicContact CG-CE1 4.32Å; K239-F258 HydrophobicContact CG-CZ 4.31Å; K239-Y263 HydrophobicContact CB-CE2 4.25Å; K239-Y263 WeakPolarHBondContact CE-OH 3.2Å; K239-N347 VanDerWaalsContact CE-OD1 3.28Å; K239-N347 WeakPolarHBondContact CE-OD1 3.22Å; K239-N347 VanDerWaalsContact NZ-CG 3.34Å; K239-N347 PolarHBondContact NZ-ND2 2.83Å; K239-N347 PolarHBondContact NZ-OD1 3.16Å |
| 240 | L | 97.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 173.8 | -175.4 | 72.2 | 0 | 0 | 0 | 111.6 | I93 W105 M108 S236 W237 L238 V242 Q243 V244 F253 | I93-L240 HydrophobicContact CD1-CD1 4.25Å; I93-L240 HydrophobicContact CD1-CD2 4.39Å; I93-L240 HydrophobicContact CG1-CD1 4.29Å; I93-L240 HydrophobicContact CG1-CD2 4.49Å; W105-L240 HydrophobicContact CE3-CD2 4.22Å; W105-L240 HydrophobicContact CZ3-CD2 3.74Å; M108-L240 HydrophobicContact CE-CD2 3.9Å; M108-L240 HydrophobicContact SD-CD2 4.06Å; S236-L240 PolarHBondContact O-N 3.17Å; S236-L240 VanDerWaalsContact O-N 3.08Å; W237-L240 HydrophobicContact CE3-CD2 4.13Å; W237-L240 HydrophobicContact CZ3-CD2 4.05Å; W237-L240 WeakPolarHBondContact O-CB 3.31Å; W237-L240 PolarHBondContact O-N 3.01Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 2.83Å; L240-V242 PolarHBondContact O-N 3.15Å; L240-Q243 PolarHBondContact O-N 3.07Å; L240-V244 HydrophobicContact CD1-CG2 4.26Å; L240-V244 HydrophobicContact CG-CG2 4.32Å; L240-V244 WeakPolarHBondContact O-CG2 3.32Å; L240-V244 PolarHBondContact O-N 2.81Å; L240-F253 HydrophobicContact CD1-CE1 4.12Å; L240-F253 HydrophobicContact CD1-CZ 3.79Å |
| 241 | Y | 98.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | -176.4 | -61.5 | -21.9 | 0 | 0 | 0 | 112.9 | W105 W237 L238 E245 S285 A288 A289 V304 | W105-Y241 HydrophobicContact CH2-CE1 4.46Å; W237-Y241 HydrophobicContact CB-CE2 4.19Å; W237-Y241 AromaticContact CE3-CE1 3.81Å; W237-Y241 HydrophobicContact CE3-CE1 3.81Å; W237-Y241 AromaticContact CE3-CZ 3.73Å; W237-Y241 VanDerWaalsContact CE3-OH 3.31Å; W237-Y241 HydrophobicContact CZ3-CE1 4.32Å; W237-Y241 WeakPolarHBondContact O-CD2 3.37Å; W237-Y241 VanDerWaalsContact O-CG 3.23Å; W237-Y241 PolarHBondContact O-N 3.37Å; L238-Y241 PolarHBondContact O-N 2.95Å; L238-Y241 VanDerWaalsContact O-N 3.13Å; Y241-E245 WeakPolarHBondContact O-CB 3.27Å; Y241-E245 PolarHBondContact O-N 2.79Å; Y241-E245 VanDerWaalsContact O-N 3.09Å; Y241-S285 WeakPolarHBondContact OH-CB 3.29Å; Y241-S285 PolarHBondContact OH-O 2.65Å; Y241-A288 HydrophobicContact CD2-CB 4.13Å; Y241-A288 HydrophobicContact CE2-CB 3.81Å; Y241-A289 HydrophobicContact CD2-CB 4.39Å; Y241-A289 HydrophobicContact CE2-CB 3.83Å; Y241-V304 HydrophobicContact CD1-CG2 4.15Å; Y241-V304 WeakPolarHBondContact CD1-O 3.41Å; Y241-V304 HydrophobicContact CG-CG2 4.05Å |
| 242 | V | 97.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.3 | -30.2 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | L238 K239 L240 A246 F258 Y263 I266 F292 | L238-V242 HydrophobicContact CD1-CG1 4Å; L238-V242 WeakPolarHBondContact O-CG2 3.45Å; L238-V242 PolarHBondContact O-N 2.87Å; K239-V242 WeakPolarHBondContact O-CG2 3.43Å; L240-V242 PolarHBondContact O-N 3.15Å; V242-A246 VanDerWaalsContact O-CB 3.28Å; V242-A246 WeakPolarHBondContact O-CB 3.4Å; V242-A246 PolarHBondContact O-N 3.31Å; V242-F258 HydrophobicContact CB-CB 4.1Å; V242-F258 HydrophobicContact CB-CD1 4.25Å; V242-F258 HydrophobicContact CB-CG 4.05Å; V242-F258 HydrophobicContact CG2-CB 4.15Å; V242-F258 HydrophobicContact CG2-CD1 3.49Å; V242-F258 VanDerWaalsContact CG2-CD1 3.49Å; V242-F258 HydrophobicContact CG2-CD2 3.82Å; V242-F258 HydrophobicContact CG2-CE1 3.75Å; V242-F258 HydrophobicContact CG2-CE2 4.07Å; V242-F258 HydrophobicContact CG2-CG 3.53Å; V242-F258 HydrophobicContact CG2-CZ 4.04Å; V242-Y263 HydrophobicContact CG2-CD2 3.89Å; V242-Y263 HydrophobicContact CG2-CE2 4.15Å; V242-I266 HydrophobicContact CG1-CD1 4.16Å; V242-F292 HydrophobicContact CG1-CD2 4.09Å; V242-F292 HydrophobicContact CG1-CE2 3.85Å; V242-F292 HydrophobicContact CG1-CZ 4.23Å |
| 243 | Q | 96.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.7 | -41.4 | 176.6 | -176.1 | 64.5 | 12.3 | 0 | 0 | 111.9 | K239 L240 E245 A246 Q247 F253 E255 F258 | K239-Q243 WeakPolarHBondContact O-CB 3.4Å; K239-Q243 PolarHBondContact O-N 2.72Å; L240-Q243 PolarHBondContact O-N 3.07Å; Q243-E245 VanDerWaalsContact C-N 3.29Å; Q243-E245 PolarHBondContact O-N 3.07Å; Q243-A246 PolarHBondContact O-N 2.77Å; Q243-Q247 WeakPolarHBondContact O-CB 3.46Å; Q243-Q247 PolarHBondContact O-N 2.67Å; Q243-F253 HydrophobicContact CB-CE2 4.47Å; Q243-F253 HydrophobicContact CG-CD2 4.1Å; Q243-F253 HydrophobicContact CG-CE2 3.78Å; Q243-F253 HydrophobicContact CG-CZ 4.11Å; Q243-F253 WeakPolarHBondContact CG-O 3.12Å; Q243-F253 PolarHBondContact NE2-O 2.86Å; Q243-E255 PolarHBondContact NE2-O 3.06Å; Q243-F258 HydrophobicContact CB-CD1 4.31Å; Q243-F258 HydrophobicContact CB-CE1 4.41Å |
| 244 | V | 96.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -32 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | P92 L240 F253 V304 | P92-V244 WeakPolarHBondContact O-CG1 3.29Å; L240-V244 HydrophobicContact CD1-CG2 4.26Å; L240-V244 HydrophobicContact CG-CG2 4.32Å; L240-V244 WeakPolarHBondContact O-CG2 3.32Å; L240-V244 PolarHBondContact O-N 2.81Å; V244-F253 HydrophobicContact CG2-CE2 3.73Å; V244-F253 HydrophobicContact CG2-CZ 3.72Å; V244-V304 HydrophobicContact CB-CB 4.08Å; V244-V304 HydrophobicContact CB-CG1 4.11Å; V244-V304 HydrophobicContact CG1-CB 3.94Å; V244-V304 HydrophobicContact CG1-CG1 3.82Å |
| 245 | E | 96.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.2 | -47.7 | 173.2 | -168.7 | -90.4 | 161.3 | 0 | 0 | 112.1 | Y241 Q243 Q247 F292 V300 V304 | Y241-E245 WeakPolarHBondContact O-CB 3.27Å; Y241-E245 PolarHBondContact O-N 2.79Å; Y241-E245 VanDerWaalsContact O-N 3.09Å; Q243-E245 VanDerWaalsContact C-N 3.29Å; Q243-E245 PolarHBondContact O-N 3.07Å; E245-Q247 PolarHBondContact O-N 3.24Å; E245-F292 HydrophobicContact CB-CE1 4.4Å; E245-F292 HydrophobicContact CB-CZ 4.08Å; E245-F292 HydrophobicContact CG-CZ 4.04Å; E245-V300 HydrophobicContact CB-CG1 4.42Å; E245-V300 HydrophobicContact CG-CG1 3.59Å; E245-V304 HydrophobicContact CB-CG1 4.01Å |
| 246 | A | 95.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.1 | -8.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | V242 Q243 K248 Q257 F258 | V242-A246 VanDerWaalsContact O-CB 3.28Å; V242-A246 WeakPolarHBondContact O-CB 3.4Å; V242-A246 PolarHBondContact O-N 3.31Å; Q243-A246 PolarHBondContact O-N 2.77Å; A246-K248 PolarHBondContact O-N 3.47Å; A246-Q257 HydrophobicContact CB-CB 4.1Å; A246-Q257 PolarHBondContact O-OE1 3.25Å; A246-F258 HydrophobicContact CB-CB 3.89Å |
| 247 | Q | 92.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -59 | 128.1 | -174.8 | 177.9 | 65.2 | 28.9 | 0 | 0 | 112.2 | P94 Q243 E245 E251 F253 | P94-Q247 HydrophobicContact CG-CG 4.22Å; Q243-Q247 WeakPolarHBondContact O-CB 3.46Å; Q243-Q247 PolarHBondContact O-N 2.67Å; E245-Q247 PolarHBondContact O-N 3.24Å; Q247-E251 PolarHBondContact NE2-O 3.19Å; Q247-F253 HydrophobicContact CG-CD2 4.38Å |
| 248 | K | 88.8 | Confident | 92.2 | Very high | 124 Ų | 124 | 59 Ų | 59 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 152.7 | 173.9 | -63.1 | 168.1 | -169.6 | 164.6 | 0 | 111.5 | A246 G250 E251 | A246-K248 PolarHBondContact O-N 3.47Å; K248-G250 PolarHBondContact O-N 3.03Å; K248-E251 HydrophobicContact CB-CB 4.41Å; K248-E251 HydrophobicContact CB-CG 3.92Å; K248-E251 PolarHBondContact O-N 3.3Å |
| 249 | D | 84.2 | Confident | 92 | Very high | 173 Ų | 173 | 61.4 Ų | 61.4 | 93% | 0.925 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 129.2 | 176.3 | -66.8 | -42.4 | 0 | 0 | 0 | 111.1 | E251 | D249-E251 VanDerWaalsContact C-N 3.33Å; D249-E251 PolarHBondContact O-N 2.62Å |
| 250 | G | 80.7 | Confident | 92 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 90% | 0.897 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -12.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K248 | K248-G250 PolarHBondContact O-N 3.03Š|
| 251 | E | 84.2 | Confident | 91.9 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -82.7 | 151.1 | 178.1 | -65.7 | -66.2 | -179.4 | 0 | 0 | 112.7 | Q247 K248 D249 F253 | Q247-E251 PolarHBondContact NE2-O 3.19Å; K248-E251 HydrophobicContact CB-CB 4.41Å; K248-E251 HydrophobicContact CB-CG 3.92Å; K248-E251 PolarHBondContact O-N 3.3Å; D249-E251 VanDerWaalsContact C-N 3.33Å; D249-E251 PolarHBondContact O-N 2.62Å; E251-F253 PolarHBondContact O-N 2.85Å |
| 252 | N | 87.3 | Confident | 91.8 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 34% | 0.342 | 36% | 0.362 | S | S | . | . | trans | -68.1 | 117.5 | 178.9 | -178.3 | 4.6 | 0 | 0 | 0 | 111.3 | L254 E255 Q257 | N252-L254 PolarHBondContact O-N 3.33Å; N252-L254 VanDerWaalsContact O-N 3.08Å; N252-L254 PolarHBondContact OD1-N 2.95Å; N252-L254 VanDerWaalsContact OD1-N 3.14Å; N252-E255 HydrophobicContact CB-CB 4.37Å; N252-E255 HydrophobicContact CB-CG 4.11Å; N252-E255 WeakPolarHBondContact CB-OE1 3.33Å; N252-E255 PolarHBondContact ND2-OE1 3.29Å; N252-E255 PolarHBondContact O-N 3.45Å; N252-Q257 PolarHBondContact O-NE2 2.72Å | ||
| 253 | F | 89.9 | Confident | 91.8 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.5 | -179.9 | -176.2 | -105.2 | 0 | 0 | 0 | 114.2 | I93 P94 L96 L240 Q243 V244 Q247 E251 E255 | I93-F253 HydrophobicContact CG2-CE1 3.94Å; I93-F253 HydrophobicContact CG2-CZ 4.01Å; P94-F253 HydrophobicContact CG-CD2 3.4Å; P94-F253 HydrophobicContact CG-CE2 3.7Å; P94-F253 HydrophobicContact CG-CG 4.02Å; L96-F253 HydrophobicContact CD2-CB 4.22Å; L96-F253 HydrophobicContact CD2-CD1 3.58Å; L96-F253 HydrophobicContact CD2-CE1 4.22Å; L96-F253 HydrophobicContact CD2-CG 4.05Å; L240-F253 HydrophobicContact CD1-CE1 4.12Å; L240-F253 HydrophobicContact CD1-CZ 3.79Å; Q243-F253 HydrophobicContact CB-CE2 4.47Å; Q243-F253 HydrophobicContact CG-CD2 4.1Å; Q243-F253 HydrophobicContact CG-CE2 3.78Å; Q243-F253 HydrophobicContact CG-CZ 4.11Å; Q243-F253 WeakPolarHBondContact CG-O 3.12Å; Q243-F253 PolarHBondContact NE2-O 2.86Å; V244-F253 HydrophobicContact CG2-CE2 3.73Å; V244-F253 HydrophobicContact CG2-CZ 3.72Å; Q247-F253 HydrophobicContact CG-CD2 4.38Å; E251-F253 PolarHBondContact O-N 2.85Å; F253-E255 VanDerWaalsContact C-N 3.33Å |
| 254 | L | 87.9 | Confident | 91.9 | Very high | 111 Ų | 111 | 66.2 Ų | 66.2 | 58% | 0.581 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.4 | 178.4 | -59 | 179.4 | 0 | 0 | 0 | 113.6 | W98 N252 | W98-L254 HydrophobicContact CZ2-CD2 4.45Å; N252-L254 PolarHBondContact O-N 3.33Å; N252-L254 VanDerWaalsContact O-N 3.08Å; N252-L254 PolarHBondContact OD1-N 2.95Å; N252-L254 VanDerWaalsContact OD1-N 3.14Å |
| 255 | E | 88.5 | Confident | 92 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -93.4 | 121.3 | 178.2 | -72.5 | 172.9 | -137.9 | 0 | 0 | 110 | Q243 N252 F253 Q257 | Q243-E255 PolarHBondContact NE2-O 3.06Å; N252-E255 HydrophobicContact CB-CB 4.37Å; N252-E255 HydrophobicContact CB-CG 4.11Å; N252-E255 WeakPolarHBondContact CB-OE1 3.33Å; N252-E255 PolarHBondContact ND2-OE1 3.29Å; N252-E255 PolarHBondContact O-N 3.45Å; F253-E255 VanDerWaalsContact C-N 3.33Å; E255-Q257 WeakPolarHBondContact O-CG 3.45Å; E255-Q257 PolarHBondContact O-N 2.85Å; E255-Q257 PolarHBondContact O-NE2 3.01Å |
| 256 | P | 90.7 | Very high | 92.1 | Very high | 80 Ų | 80 | 62.4 Ų | 62.4 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | trans | -59.5 | 120.3 | -176.1 | -26.6 | 35.5 | 0 | 0 | 0 | 113.3 | F258 | P256-F258 HydrophobicContact CB-CE1 3.99Å; P256-F258 HydrophobicContact CB-CZ 4.21Å | ||
| 257 | Q | 92.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | trans | -109.5 | -8.1 | -176.6 | -74.6 | 162 | 61.3 | 0 | 0 | 113.8 | A246 N252 E255 | A246-Q257 HydrophobicContact CB-CB 4.1Å; A246-Q257 PolarHBondContact O-OE1 3.25Å; N252-Q257 PolarHBondContact O-NE2 2.72Å; E255-Q257 WeakPolarHBondContact O-CG 3.45Å; E255-Q257 PolarHBondContact O-N 2.85Å; E255-Q257 PolarHBondContact O-NE2 3.01Å | ||
| 258 | F | 94.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -87.1 | 160.6 | -177.1 | 56.5 | -94.4 | 0 | 0 | 0 | 113.7 | K239 V242 Q243 A246 P256 Q260 Y263 H346 | K239-F258 HydrophobicContact CG-CE1 4.32Å; K239-F258 HydrophobicContact CG-CZ 4.31Å; V242-F258 HydrophobicContact CB-CB 4.1Å; V242-F258 HydrophobicContact CB-CD1 4.25Å; V242-F258 HydrophobicContact CB-CG 4.05Å; V242-F258 HydrophobicContact CG2-CB 4.15Å; V242-F258 HydrophobicContact CG2-CD1 3.49Å; V242-F258 VanDerWaalsContact CG2-CD1 3.49Å; V242-F258 HydrophobicContact CG2-CD2 3.82Å; V242-F258 HydrophobicContact CG2-CE1 3.75Å; V242-F258 HydrophobicContact CG2-CE2 4.07Å; V242-F258 HydrophobicContact CG2-CG 3.53Å; V242-F258 HydrophobicContact CG2-CZ 4.04Å; Q243-F258 HydrophobicContact CB-CD1 4.31Å; Q243-F258 HydrophobicContact CB-CE1 4.41Å; A246-F258 HydrophobicContact CB-CB 3.89Å; P256-F258 HydrophobicContact CB-CE1 3.99Å; P256-F258 HydrophobicContact CB-CZ 4.21Å; F258-Q260 PolarHBondContact O-N 2.93Å; F258-Y263 HydrophobicContact CD2-CD2 4.16Å; F258-Y263 HydrophobicContact CD2-CG 4.28Å; F258-Y263 HydrophobicContact CE2-CD1 4.41Å; F258-Y263 AromaticContact CE2-CD2 3.66Å; F258-Y263 HydrophobicContact CE2-CD2 3.66Å; F258-Y263 HydrophobicContact CE2-CE2 4.18Å; F258-Y263 AromaticContact CE2-CG 3.75Å; F258-Y263 HydrophobicContact CE2-CG 3.75Å; F258-Y263 HydrophobicContact CZ-CD2 4.27Å; F258-Y263 HydrophobicContact CZ-CE2 4.36Å; F258-H346 AromaticContact CE2-CD2 3.76Å; F258-H346 AromaticContact CE2-NE2 3.7Å; F258-H346 AromaticContact CZ-NE2 3.63Å |
| 259 | S | 95.8 | Very high | 93 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | trans | -69.3 | 128.2 | 176 | 160 | 0 | 0 | 0 | 0 | 112 | E261 T262 Y263 | S259-E261 VanDerWaalsContact C-N 3.3Å; S259-E261 PolarHBondContact O-N 3.33Å; S259-E261 PolarHBondContact OG-N 3.11Å; S259-E261 PolarHBondContact OG-OE2 3.28Å; S259-T262 PolarHBondContact O-N 2.74Å; S259-T262 PolarHBondContact OG-N 3.44Å; S259-T262 VanDerWaalsContact OG-N 3.16Å; S259-Y263 WeakPolarHBondContact O-CB 3.48Å; S259-Y263 PolarHBondContact O-N 2.84Å | ||
| 260 | Q | 96.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 173.9 | -67.1 | -159.8 | 61.5 | 0 | 0 | 111.7 | F258 Y263 I264 L334 T342 H346 | F258-Q260 PolarHBondContact O-N 2.93Å; Q260-Y263 PolarHBondContact O-N 3.34Å; Q260-I264 WeakPolarHBondContact O-CG1 3.26Å; Q260-I264 WeakPolarHBondContact O-CG2 3.45Å; Q260-I264 PolarHBondContact O-N 3.4Å; Q260-L334 HydrophobicContact CB-CD1 4.33Å; Q260-L334 HydrophobicContact CB-CD2 4.14Å; Q260-T342 PolarHBondContact NE2-O 3.02Å; Q260-H346 HydrophobicContact CB-CB 3.84Å; Q260-H346 HydrophobicContact CG-CB 3.84Å; Q260-H346 VanDerWaalsContact OE1-N 3.09Å; Q260-H346 PolarHBondContact OE1-ND1 3.45Å |
| 261 | E | 95.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 42.2 Ų | 42.2 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.4 | -41.9 | -178.9 | -58.7 | 70.8 | -155.2 | 0 | 0 | 111.9 | S259 I264 Q265 | S259-E261 VanDerWaalsContact C-N 3.3Å; S259-E261 PolarHBondContact O-N 3.33Å; S259-E261 PolarHBondContact OG-N 3.11Å; S259-E261 PolarHBondContact OG-OE2 3.28Å; E261-I264 VanDerWaalsContact O-CG1 3.28Å; E261-I264 WeakPolarHBondContact O-CG1 3.43Å; E261-Q265 WeakPolarHBondContact O-CG 3.23Å; E261-Q265 PolarHBondContact O-N 2.73Å; E261-Q265 PolarHBondContact O-NE2 3.33Å |
| 262 | T | 96.3 | Very high | 95.2 | Very high | 60 Ų | 60 | 37 Ų | 37 | 37% | 0.368 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69 | -42.1 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | S259 I264 Q265 I266 | S259-T262 PolarHBondContact O-N 2.74Å; S259-T262 PolarHBondContact OG-N 3.44Å; S259-T262 VanDerWaalsContact OG-N 3.16Å; T262-I264 PolarHBondContact O-N 2.95Å; T262-Q265 WeakPolarHBondContact O-CB 3.19Å; T262-Q265 PolarHBondContact O-N 3.16Å; T262-I266 HydrophobicContact CG2-CD1 3.89Å; T262-I266 WeakPolarHBondContact O-CG1 3.36Å; T262-I266 PolarHBondContact O-N 3.39Å; T262-I266 VanDerWaalsContact O-N 3.11Å |
| 263 | Y | 97.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 176.9 | -172.2 | -102.2 | 0 | 0 | 0 | 111.9 | I235 L238 K239 V242 F258 S259 Q260 Q265 I266 T267 H346 | I235-Y263 HydrophobicContact CD1-CE1 4.11Å; I235-Y263 HydrophobicContact CD1-CE2 4.4Å; I235-Y263 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y263 WeakPolarHBondContact CG1-OH 3.34Å; L238-Y263 HydrophobicContact CD2-CD2 4.39Å; L238-Y263 HydrophobicContact CD2-CE2 4.14Å; L238-Y263 HydrophobicContact CG-CD2 4.47Å; L238-Y263 HydrophobicContact CG-CE2 4.11Å; K239-Y263 HydrophobicContact CB-CE2 4.25Å; K239-Y263 WeakPolarHBondContact CE-OH 3.2Å; V242-Y263 HydrophobicContact CG2-CD2 3.89Å; V242-Y263 HydrophobicContact CG2-CE2 4.15Å; F258-Y263 HydrophobicContact CD2-CD2 4.16Å; F258-Y263 HydrophobicContact CD2-CG 4.28Å; F258-Y263 HydrophobicContact CE2-CD1 4.41Å; F258-Y263 AromaticContact CE2-CD2 3.66Å; F258-Y263 HydrophobicContact CE2-CD2 3.66Å; F258-Y263 HydrophobicContact CE2-CE2 4.18Å; F258-Y263 AromaticContact CE2-CG 3.75Å; F258-Y263 HydrophobicContact CE2-CG 3.75Å; F258-Y263 HydrophobicContact CZ-CD2 4.27Å; F258-Y263 HydrophobicContact CZ-CE2 4.36Å; S259-Y263 WeakPolarHBondContact O-CB 3.48Å; S259-Y263 PolarHBondContact O-N 2.84Å; Q260-Y263 PolarHBondContact O-N 3.34Å; Y263-Q265 VanDerWaalsContact C-N 3.25Å; Y263-Q265 PolarHBondContact O-N 2.98Å; Y263-I266 PolarHBondContact O-N 2.77Å; Y263-I266 VanDerWaalsContact O-N 3.11Å; Y263-T267 HydrophobicContact CD1-CG2 3.88Å; Y263-T267 HydrophobicContact CE1-CG2 3.72Å; Y263-T267 HydrophobicContact CE2-CG2 4.39Å; Y263-T267 HydrophobicContact CG-CG2 4.34Å; Y263-T267 WeakPolarHBondContact O-CG2 3.5Å; Y263-T267 PolarHBondContact O-N 2.58Å; Y263-T267 PolarHBondContact O-OG1 2.83Å; Y263-H346 HydrophobicContact CD1-CB 4.04Å; Y263-H346 AromaticContact CD1-CD2 3.61Å; Y263-H346 AromaticContact CE1-CD2 3.7Å; Y263-H346 WeakPolarHBondContact CE1-O 3.46Å |
| 264 | I | 97.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -32.6 | 179.6 | 64.3 | 176.4 | 0 | 0 | 0 | 112.9 | Q260 E261 T262 T267 Q268 P332 Q333 L334 H346 | Q260-I264 WeakPolarHBondContact O-CG1 3.26Å; Q260-I264 WeakPolarHBondContact O-CG2 3.45Å; Q260-I264 PolarHBondContact O-N 3.4Å; E261-I264 VanDerWaalsContact O-CG1 3.28Å; E261-I264 WeakPolarHBondContact O-CG1 3.43Å; T262-I264 PolarHBondContact O-N 2.95Å; I264-T267 WeakPolarHBondContact CA-OG1 3.49Å; I264-T267 PolarHBondContact O-OG1 3.47Å; I264-Q268 WeakPolarHBondContact O-CB 3.35Å; I264-Q268 PolarHBondContact O-N 3.37Å; I264-P332 HydrophobicContact CD1-CB 4.41Å; I264-P332 HydrophobicContact CG1-CG 4.4Å; I264-Q333 VanDerWaalsContact CD1-C 3.5Å; I264-L334 HydrophobicContact CD1-CB 4.15Å; I264-L334 HydrophobicContact CD1-CD1 4.41Å; I264-L334 HydrophobicContact CG2-CD1 4.18Å; I264-H346 HydrophobicContact CG2-CB 4.22Å |
| 265 | Q | 98 | Very high | 96.6 | Very high | 31 Ų | 31 | 27.9 Ų | 27.9 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 173.7 | -79.4 | 166.8 | 95.8 | 0 | 0 | 112.1 | E261 T262 Y263 Q268 L269 F295 K331 P332 | E261-Q265 WeakPolarHBondContact O-CG 3.23Å; E261-Q265 PolarHBondContact O-N 2.73Å; E261-Q265 PolarHBondContact O-NE2 3.33Å; T262-Q265 WeakPolarHBondContact O-CB 3.19Å; T262-Q265 PolarHBondContact O-N 3.16Å; Y263-Q265 VanDerWaalsContact C-N 3.25Å; Y263-Q265 PolarHBondContact O-N 2.98Å; Q265-Q268 PolarHBondContact O-N 2.88Å; Q265-L269 PolarHBondContact O-N 2.83Å; Q265-F295 HydrophobicContact CB-CD1 4.47Å; Q265-F295 HydrophobicContact CB-CE1 3.69Å; Q265-F295 HydrophobicContact CB-CZ 4.05Å; Q265-K331 VanDerWaalsContact OE1-NZ 3.12Å; Q265-P332 HydrophobicContact CB-CG 4.37Å; Q265-P332 HydrophobicContact CG-CG 3.7Å |
| 266 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.4 | -39.4 | 178.4 | -53 | 154 | 0 | 0 | 0 | 110.5 | L238 V242 T262 Y263 Q268 L269 L270 A291 F292 F295 | L238-I266 HydrophobicContact CD1-CB 4.39Å; L238-I266 HydrophobicContact CD1-CD1 4.36Å; L238-I266 HydrophobicContact CD1-CG2 3.66Å; L238-I266 HydrophobicContact CD2-CB 3.98Å; L238-I266 HydrophobicContact CD2-CG2 3.65Å; L238-I266 HydrophobicContact CG-CG2 4.33Å; V242-I266 HydrophobicContact CG1-CD1 4.16Å; T262-I266 HydrophobicContact CG2-CD1 3.89Å; T262-I266 WeakPolarHBondContact O-CG1 3.36Å; T262-I266 PolarHBondContact O-N 3.39Å; T262-I266 VanDerWaalsContact O-N 3.11Å; Y263-I266 PolarHBondContact O-N 2.77Å; Y263-I266 VanDerWaalsContact O-N 3.11Å; I266-Q268 VanDerWaalsContact C-N 3.34Å; I266-Q268 PolarHBondContact O-N 2.89Å; I266-L269 WeakPolarHBondContact O-CB 3.43Å; I266-L269 PolarHBondContact O-N 3.07Å; I266-L270 PolarHBondContact O-N 3.12Å; I266-L270 VanDerWaalsContact O-N 3.1Å; I266-A291 HydrophobicContact CG2-CB 3.89Å; I266-F292 HydrophobicContact CD1-CD2 3.79Å; I266-F292 HydrophobicContact CD1-CE2 4.26Å; I266-F295 HydrophobicContact CB-CD2 4.24Å; I266-F295 HydrophobicContact CB-CE2 4.31Å; I266-F295 HydrophobicContact CD1-CB 4.4Å; I266-F295 HydrophobicContact CG1-CB 4Å; I266-F295 HydrophobicContact CG1-CD1 4.24Å; I266-F295 HydrophobicContact CG1-CD2 3.52Å; I266-F295 HydrophobicContact CG1-CE2 3.97Å; I266-F295 HydrophobicContact CG1-CG 3.66Å; I266-F295 HydrophobicContact CG2-CD2 4.33Å |
| 267 | T | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 177.7 | 65.3 | 0 | 0 | 0 | 0 | 113 | R151 I235 L238 Y263 I264 L269 L270 D271 | R151-T267 PolarHBondContact NE-OG1 3.43Å; I235-T267 HydrophobicContact CD1-CG2 3.28Å; L238-T267 HydrophobicContact CD2-CG2 3.79Å; Y263-T267 HydrophobicContact CD1-CG2 3.88Å; Y263-T267 HydrophobicContact CE1-CG2 3.72Å; Y263-T267 HydrophobicContact CE2-CG2 4.39Å; Y263-T267 HydrophobicContact CG-CG2 4.34Å; Y263-T267 WeakPolarHBondContact O-CG2 3.5Å; Y263-T267 PolarHBondContact O-N 2.58Å; Y263-T267 PolarHBondContact O-OG1 2.83Å; I264-T267 WeakPolarHBondContact CA-OG1 3.49Å; I264-T267 PolarHBondContact O-OG1 3.47Å; T267-L269 VanDerWaalsContact C-N 3.26Å; T267-L269 PolarHBondContact O-N 3.05Å; T267-L270 PolarHBondContact O-N 3.02Å; T267-D271 WeakPolarHBondContact O-CB 3.36Å; T267-D271 VanDerWaalsContact O-CG 3.25Å; T267-D271 PolarHBondContact O-N 2.77Å |
| 268 | Q | 98.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 11% | 0.107 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.6 | -32.6 | 174.6 | -170.6 | -179.5 | 42.9 | 0 | 0 | 112.1 | I264 Q265 I266 L272 L326 P332 Y354 | I264-Q268 WeakPolarHBondContact O-CB 3.35Å; I264-Q268 PolarHBondContact O-N 3.37Å; Q265-Q268 PolarHBondContact O-N 2.88Å; I266-Q268 VanDerWaalsContact C-N 3.34Å; I266-Q268 PolarHBondContact O-N 2.89Å; Q268-L272 WeakPolarHBondContact O-CB 3.45Å; Q268-L272 PolarHBondContact O-N 3.18Å; Q268-L326 HydrophobicContact CG-CD1 4.32Å; Q268-L326 HydrophobicContact CG-CD2 4.19Å; Q268-P332 HydrophobicContact CB-CG 4.49Å; Q268-P332 VanDerWaalsContact OE1-CD 3.26Å; Q268-P332 VanDerWaalsContact OE1-CG 3.3Å; Q268-Y354 HydrophobicContact CG-CE1 3.95Å |
| 269 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.4 | -47.6 | 170.7 | 177.3 | 62.9 | 0 | 0 | 0 | 111.2 | Q265 I266 T267 L272 C273 A291 H294 F295 M319 F322 M323 L326 | Q265-L269 PolarHBondContact O-N 2.83Å; I266-L269 WeakPolarHBondContact O-CB 3.43Å; I266-L269 PolarHBondContact O-N 3.07Å; T267-L269 VanDerWaalsContact C-N 3.26Å; T267-L269 PolarHBondContact O-N 3.05Å; L269-L272 PolarHBondContact O-N 2.82Å; L269-C273 WeakPolarHBondContact O-CB 3.4Å; L269-C273 PolarHBondContact O-N 3.39Å; L269-C273 PolarHBondContact O-SG 2.75Å; L269-A291 HydrophobicContact CD2-CB 4.11Å; L269-H294 HydrophobicContact CD2-CB 4.07Å; L269-F295 HydrophobicContact CB-CE2 4.45Å; L269-F295 HydrophobicContact CD2-CE2 4.03Å; L269-M319 HydrophobicContact CD1-CG 4.01Å; L269-M319 HydrophobicContact CD2-CG 4.04Å; L269-M319 HydrophobicContact CD2-SD 3.71Å; L269-M319 HydrophobicContact CG-CG 4.15Å; L269-M319 HydrophobicContact CG-SD 4.01Å; L269-F322 HydrophobicContact CD1-CB 4Å; L269-M323 HydrophobicContact CD1-CB 3.98Å; L269-M323 HydrophobicContact CD1-SD 4.33Å; L269-M323 HydrophobicContact CD2-CB 4.33Å; L269-M323 HydrophobicContact CD2-SD 3.8Å; L269-L326 HydrophobicContact CB-CD1 3.94Å; L269-L326 HydrophobicContact CD1-CD1 4.07Å |
| 270 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 176.6 | -73.7 | 176.5 | 0 | 0 | 0 | 111.9 | Y155 P234 L238 I266 T267 L272 C273 M274 L287 A291 | Y155-L270 VanDerWaalsContact OH-CB 3.23Å; Y155-L270 WeakPolarHBondContact OH-CB 3.35Å; P234-L270 HydrophobicContact CB-CD1 4.41Å; L238-L270 HydrophobicContact CB-CD1 4.16Å; L238-L270 HydrophobicContact CD2-CD1 3.71Å; L238-L270 HydrophobicContact CG-CD1 4.49Å; I266-L270 PolarHBondContact O-N 3.12Å; I266-L270 VanDerWaalsContact O-N 3.1Å; T267-L270 PolarHBondContact O-N 3.02Å; L270-L272 VanDerWaalsContact C-N 3.28Å; L270-L272 PolarHBondContact O-N 2.74Å; L270-C273 PolarHBondContact O-N 2.91Å; L270-C273 VanDerWaalsContact O-N 3.07Å; L270-M274 VanDerWaalsContact O-CG 3.31Å; L270-M274 WeakPolarHBondContact O-CG 3.27Å; L270-M274 PolarHBondContact O-N 3.42Å; L270-L287 HydrophobicContact CD2-CB 4.39Å; L270-A291 HydrophobicContact CD1-CB 4.41Å; L270-A291 HydrophobicContact CD2-CB 3.51Å; L270-A291 HydrophobicContact CG-CB 3.7Å |
| 271 | D | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -53.2 | -47.7 | 178.6 | -73 | -0.6 | 0 | 0 | 0 | 110.7 | L141 Y155 T267 M275 Q349 Y354 | L141-D271 HydrophobicContact CD1-CB 4Å; Y155-D271 WeakPolarHBondContact CE2-OD1 3.39Å; Y155-D271 PolarHBondContact OH-N 2.87Å; Y155-D271 VanDerWaalsContact OH-N 3.11Å; Y155-D271 PolarHBondContact OH-OD1 2.81Å; T267-D271 WeakPolarHBondContact O-CB 3.36Å; T267-D271 VanDerWaalsContact O-CG 3.25Å; T267-D271 PolarHBondContact O-N 2.77Å; D271-M275 WeakPolarHBondContact O-CG 3.31Å; D271-M275 PolarHBondContact O-N 2.94Å; D271-Q349 PolarHBondContact OD2-NE2 3.14Å; D271-Y354 HydrophobicContact CB-CE1 3.81Å; D271-Y354 HydrophobicContact CB-CE2 3.99Å; D271-Y354 VanDerWaalsContact CB-CZ 3.42Å; D271-Y354 VanDerWaalsContact CB-OH 3.25Å; D271-Y354 WeakPolarHBondContact CB-OH 3.18Å; D271-Y354 PolarHBondContact OD2-OH 2.64Å |
| 272 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.5 | 175.5 | 58.8 | 0 | 0 | 0 | 112.5 | Q268 L269 L270 M275 F322 L326 Y354 L357 L358 | Q268-L272 WeakPolarHBondContact O-CB 3.45Å; Q268-L272 PolarHBondContact O-N 3.18Å; L269-L272 PolarHBondContact O-N 2.82Å; L270-L272 VanDerWaalsContact C-N 3.28Å; L270-L272 PolarHBondContact O-N 2.74Å; L272-M275 WeakPolarHBondContact O-CB 3.3Å; L272-M275 PolarHBondContact O-N 3.13Å; L272-F322 HydrophobicContact CD2-CB 4.06Å; L272-F322 HydrophobicContact CD2-CD1 4.39Å; L272-F322 HydrophobicContact CG-CB 4.36Å; L272-F322 HydrophobicContact CG-CD1 3.99Å; L272-L326 HydrophobicContact CD2-CD1 4.04Å; L272-L326 HydrophobicContact CD2-CD2 3.95Å; L272-L326 HydrophobicContact CD2-CG 3.77Å; L272-Y354 HydrophobicContact CB-CD1 4.04Å; L272-Y354 HydrophobicContact CB-CE1 4.24Å; L272-Y354 HydrophobicContact CD1-CD1 4.36Å; L272-L357 HydrophobicContact CD1-CB 3.67Å; L272-L357 HydrophobicContact CD2-CB 4.13Å; L272-L358 HydrophobicContact CD1-CB 4.11Å |
| 273 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.3 | -38.9 | 179.5 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | L269 L270 M275 D276 W318 M319 | L269-C273 WeakPolarHBondContact O-CB 3.4Å; L269-C273 PolarHBondContact O-N 3.39Å; L269-C273 PolarHBondContact O-SG 2.75Å; L270-C273 PolarHBondContact O-N 2.91Å; L270-C273 VanDerWaalsContact O-N 3.07Å; C273-M275 PolarHBondContact O-N 2.9Å; C273-D276 PolarHBondContact O-N 3.44Å; C273-D276 VanDerWaalsContact O-N 3.08Å; C273-W318 HydrophobicContact CB-CH2 3.87Å; C273-W318 HydrophobicContact CB-CZ3 4.08Å; C273-M319 HydrophobicContact CB-CE 4.37Å |
| 274 | M | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.02 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.8 | -16.3 | 178.9 | -66 | -47.5 | -73 | 0 | 0 | 113.2 | R133 Y155 P234 L270 D276 Y284 L287 | R133-M274 PolarHBondContact NH1-O 3Å; R133-M274 PolarHBondContact NH2-O 3.1Å; Y155-M274 HydrophobicContact CE1-CG 3.76Å; P234-M274 HydrophobicContact CG-CE 4.19Å; P234-M274 HydrophobicContact CG-SD 4.3Å; L270-M274 VanDerWaalsContact O-CG 3.31Å; L270-M274 WeakPolarHBondContact O-CG 3.27Å; L270-M274 PolarHBondContact O-N 3.42Å; M274-D276 VanDerWaalsContact C-N 3.31Å; M274-Y284 HydrophobicContact CE-CD1 4.48Å; M274-Y284 HydrophobicContact CE-CE1 3.98Å; M274-L287 HydrophobicContact CE-CD1 4.28Å; M274-L287 HydrophobicContact SD-CD1 3.8Å; M274-L287 HydrophobicContact SD-CD2 4.42Å |
| 275 | M | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66 | -34.3 | 169.7 | -61.4 | -63.1 | 146.9 | 0 | 0 | 112.3 | R133 A134 L137 D138 L141 D271 L272 C273 L358 | R133-M275 PolarHBondContact NH1-O 3.22Å; A134-M275 HydrophobicContact CB-CB 4.35Å; A134-M275 WeakPolarHBondContact CB-O 3.45Å; L137-M275 HydrophobicContact CB-CE 3.9Å; L137-M275 HydrophobicContact CB-SD 3.54Å; L137-M275 VanDerWaalsContact CB-SD 3.54Å; D138-M275 HydrophobicContact CB-SD 4.21Å; D138-M275 PolarHBondContact N-SD 3.21Å; L141-M275 HydrophobicContact CD1-CE 3.35Å; L141-M275 HydrophobicContact CG-CE 3.82Å; D271-M275 WeakPolarHBondContact O-CG 3.31Å; D271-M275 PolarHBondContact O-N 2.94Å; L272-M275 WeakPolarHBondContact O-CB 3.3Å; L272-M275 PolarHBondContact O-N 3.13Å; C273-M275 PolarHBondContact O-N 2.9Å; M275-L358 HydrophobicContact CB-CD1 4.44Å; M275-L358 HydrophobicContact CB-CD2 3.92Å |
| 276 | D | 97.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 14.9 Ų | 14.9 | 3% | 0.032 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -77.7 | 132.1 | 179.5 | -164.2 | -76 | 0 | 0 | 0 | 110.6 | C273 M274 N278 S279 W318 F322 L358 Q362 | C273-D276 PolarHBondContact O-N 3.44Å; C273-D276 VanDerWaalsContact O-N 3.08Å; M274-D276 VanDerWaalsContact C-N 3.31Å; D276-N278 PolarHBondContact O-N 3.12Å; D276-N278 VanDerWaalsContact O-N 3.16Å; D276-N278 VanDerWaalsContact OD1-CB 3.3Å; D276-N278 WeakPolarHBondContact OD1-CB 3.39Å; D276-N278 PolarHBondContact OD1-N 3.47Å; D276-N278 PolarHBondContact OD1-ND2 2.81Å; D276-S279 WeakPolarHBondContact O-CB 3.36Å; D276-S279 PolarHBondContact O-N 3.33Å; D276-S279 VanDerWaalsContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.5Å; D276-W318 HydrophobicContact CB-CZ2 4.19Å; D276-F322 HydrophobicContact CB-CE1 4.02Å; D276-F322 HydrophobicContact CB-CZ 3.82Å; D276-L358 HydrophobicContact CB-CD1 3.95Å; D276-Q362 PolarHBondContact OD2-NE2 3.26Å |
| 277 | I | 97.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 14.9 Ų | 14.9 | 8% | 0.077 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -63.1 | -23.7 | -176.8 | -168.6 | 60.8 | 0 | 0 | 0 | 113.1 | K119 Y121 M122 P130 S279 L280 | K119-I277 HydrophobicContact CB-CD1 4.07Å; K119-I277 HydrophobicContact CB-CG1 3.71Å; Y121-I277 HydrophobicContact CE1-CD1 4.46Å; M122-I277 HydrophobicContact CE-CD1 3.58Å; M122-I277 HydrophobicContact CE-CG1 4.11Å; M122-I277 HydrophobicContact CG-CD1 4.23Å; M122-I277 HydrophobicContact CG-CG1 4.21Å; P130-I277 HydrophobicContact CB-CB 3.97Å; P130-I277 HydrophobicContact CB-CG2 3.69Å; P130-I277 HydrophobicContact CG-CB 4.45Å; P130-I277 HydrophobicContact CG-CG2 3.92Å; I277-S279 PolarHBondContact O-N 3.4Å; I277-L280 HydrophobicContact CD1-CD1 3.75Å; I277-L280 PolarHBondContact O-N 3.29Å |
| 278 | N | 97 | Very high | 97.8 | Very high | 50 Ų | 50 | 14.9 Ų | 14.9 | 27% | 0.267 | 8% | 0.078 | S | C | . | . | G | 310 helix | trans | -75.6 | -5.9 | 179.2 | -55.1 | -68.7 | 0 | 0 | 0 | 112.6 | K119 D276 L280 D281 W318 | K119-N278 PolarHBondContact NZ-OD1 3.33Å; D276-N278 PolarHBondContact O-N 3.12Å; D276-N278 VanDerWaalsContact O-N 3.16Å; D276-N278 VanDerWaalsContact OD1-CB 3.3Å; D276-N278 WeakPolarHBondContact OD1-CB 3.39Å; D276-N278 PolarHBondContact OD1-N 3.47Å; D276-N278 PolarHBondContact OD1-ND2 2.81Å; N278-L280 PolarHBondContact O-N 3.47Å; N278-D281 WeakPolarHBondContact O-CB 3.48Å; N278-D281 PolarHBondContact O-N 3Å; N278-D281 VanDerWaalsContact O-N 3.15Å; N278-W318 HydrophobicContact CB-CZ2 4.28Å |
| 279 | S | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -57.9 | -32.5 | 167.7 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | D276 I277 D281 Y282 | D276-S279 WeakPolarHBondContact O-CB 3.36Å; D276-S279 PolarHBondContact O-N 3.33Å; D276-S279 VanDerWaalsContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.5Å; I277-S279 PolarHBondContact O-N 3.4Å; S279-D281 PolarHBondContact O-N 3.37Å; S279-Y282 PolarHBondContact O-N 2.7Å |
| 280 | L | 96.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -72.8 | -1.6 | -180 | -52.5 | -177.7 | 0 | 0 | 0 | 114.1 | H117 K119 Y121 D162 I277 N278 | H117-L280 HydrophobicContact CB-CD2 4.35Å; K119-L280 HydrophobicContact CB-CB 4.18Å; K119-L280 HydrophobicContact CB-CD1 4.34Å; Y121-L280 HydrophobicContact CE1-CD1 3.82Å; D162-L280 HydrophobicContact CB-CD1 4.31Å; I277-L280 HydrophobicContact CD1-CD1 3.75Å; I277-L280 PolarHBondContact O-N 3.29Å; N278-L280 PolarHBondContact O-N 3.47Å |
| 281 | D | 95.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 13.8 Ų | 13.8 | 44% | 0.439 | 7% | 0.073 | S | C | . | . | G | 310 helix | trans | -76.4 | -12.5 | 168.4 | -65.9 | -37.5 | 0 | 0 | 0 | 112.7 | K119 N278 S279 | K119-D281 VanDerWaalsContact CD-OD1 3.25Å; K119-D281 WeakPolarHBondContact CD-OD1 3.19Å; K119-D281 WeakPolarHBondContact CE-OD1 3.46Å; K119-D281 IonicContact NZ-OD1 3.63Å; K119-D281 PolarHBondContact NZ-OD1 3.44Å; K119-D281 IonicContact NZ-OD2 3.48Å; K119-D281 PolarHBondContact NZ-OD2 3.4Å; N278-D281 WeakPolarHBondContact O-CB 3.48Å; N278-D281 PolarHBondContact O-N 3Å; N278-D281 VanDerWaalsContact O-N 3.15Å; S279-D281 PolarHBondContact O-N 3.37Å |
| 282 | Y | 96.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 14.1 Ų | 14.1 | 17% | 0.169 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -118.6 | 148.6 | -172.6 | -55.7 | -73.5 | 0 | 0 | 0 | 111.1 | H117 S279 I286 L287 P314 C315 W318 | H117-Y282 PolarHBondContact NE2-O 3.18Å; S279-Y282 PolarHBondContact O-N 2.7Å; Y282-I286 HydrophobicContact CD1-CG2 4.28Å; Y282-L287 HydrophobicContact CD2-CD2 4.37Å; Y282-P314 HydrophobicContact CE1-CB 4.31Å; Y282-P314 PolarHBondContact OH-O 3.15Å; Y282-C315 HydrophobicContact CD1-CB 3.53Å; Y282-C315 HydrophobicContact CD2-CB 4.39Å; Y282-C315 HydrophobicContact CE1-CB 3.62Å; Y282-C315 HydrophobicContact CE2-CB 4.48Å; Y282-C315 HydrophobicContact CG-CB 3.94Å; Y282-W318 HydrophobicContact CD2-CD2 4.46Å; Y282-W318 HydrophobicContact CD2-CE3 4.12Å; Y282-W318 HydrophobicContact CD2-CZ3 4.34Å; Y282-W318 HydrophobicContact CE2-CB 4.22Å; Y282-W318 AromaticContact CE2-CD2 3.64Å; Y282-W318 HydrophobicContact CE2-CD2 3.64Å; Y282-W318 AromaticContact CE2-CE3 3.66Å; Y282-W318 HydrophobicContact CE2-CE3 3.66Å; Y282-W318 AromaticContact CE2-CG 3.89Å; Y282-W318 HydrophobicContact CE2-CG 3.89Å; Y282-W318 HydrophobicContact CE2-CZ3 4.3Å; Y282-W318 VanDerWaalsContact OH-CB 3.27Å; Y282-W318 WeakPolarHBondContact OH-CB 3.24Å |
| 283 | S | 96.9 | Very high | 97.8 | Very high | 34 Ų | 34 | 14.6 Ų | 14.6 | 24% | 0.238 | 8% | 0.078 | C | C | . | . | trans | -67 | 156.6 | 169.9 | 74.3 | 0 | 0 | 0 | 0 | 110.6 | E112 S285 I286 L287 | E112-S283 WeakPolarHBondContact OE1-CB 3.33Å; S283-S285 VanDerWaalsContact C-N 3.29Å; S283-S285 PolarHBondContact O-N 2.74Å; S283-S285 PolarHBondContact OG-OG 3.16Å; S283-I286 PolarHBondContact O-N 3.4Å; S283-I286 WeakPolarHBondContact OG-CB 3.27Å; S283-I286 WeakPolarHBondContact OG-CD1 3.47Å; S283-I286 VanDerWaalsContact OG-CG1 3.25Å; S283-I286 WeakPolarHBondContact OG-CG1 3.32Å; S283-I286 PolarHBondContact OG-N 3.07Å; S283-L287 PolarHBondContact O-N 3.39Å | ||
| 284 | Y | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67 | -32.8 | -179.1 | -68.7 | -23.7 | 0 | 0 | 0 | 111.8 | E112 H117 D159 E232 P234 M274 L287 A288 | E112-Y284 PolarHBondContact OE1-N 2.95Å; H117-Y284 AromaticContact CE1-CD1 3.45Å; H117-Y284 VanDerWaalsContact CE1-CD1 3.45Å; H117-Y284 WeakPolarHBondContact CE1-CD1 3.23Å; H117-Y284 AromaticContact CE1-CE1 3.41Å; H117-Y284 VanDerWaalsContact CE1-CE1 3.41Å; H117-Y284 WeakPolarHBondContact CE1-CE1 3.33Å; H117-Y284 AromaticContact CE1-CG 3.81Å; H117-Y284 AromaticContact CE1-CZ 3.72Å; H117-Y284 AromaticContact ND1-CE1 3.59Å; H117-Y284 AromaticContact ND1-CE2 3.79Å; H117-Y284 AromaticContact ND1-CZ 3.45Å; H117-Y284 AromaticContact NE2-CD1 3.92Å; H117-Y284 AromaticContact NE2-CE1 3.84Å; D159-Y284 VanDerWaalsContact OD1-CE2 3.32Å; D159-Y284 WeakPolarHBondContact OD1-CE2 3.42Å; D159-Y284 PolarHBondContact OD1-OH 2.87Å; E232-Y284 VanDerWaalsContact O-CD2 3.29Å; E232-Y284 WeakPolarHBondContact O-CD2 3.48Å; P234-Y284 VanDerWaalsContact CD-CG 3.47Å; P234-Y284 HydrophobicContact CG-CD1 3.45Å; P234-Y284 VanDerWaalsContact CG-CD1 3.45Å; P234-Y284 HydrophobicContact CG-CD2 4.41Å; P234-Y284 HydrophobicContact CG-CE1 4.06Å; P234-Y284 HydrophobicContact CG-CG 3.65Å; M274-Y284 HydrophobicContact CE-CD1 4.48Å; M274-Y284 HydrophobicContact CE-CE1 3.98Å; Y284-L287 HydrophobicContact CD1-CD1 4.03Å; Y284-A288 WeakPolarHBondContact O-CB 3.05Å; Y284-A288 PolarHBondContact O-N 3.47Å |
| 285 | S | 97.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 169 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | E112 Y241 S283 A288 A289 | E112-S285 WeakPolarHBondContact OE1-CB 2.85Å; E112-S285 PolarHBondContact OE1-N 3.34Å; E112-S285 PolarHBondContact OE1-OG 3.46Å; E112-S285 VanDerWaalsContact OE2-CB 3.28Å; E112-S285 WeakPolarHBondContact OE2-CB 3.34Å; E112-S285 PolarHBondContact OE2-OG 3Å; Y241-S285 WeakPolarHBondContact OH-CB 3.29Å; Y241-S285 PolarHBondContact OH-O 2.65Å; S283-S285 VanDerWaalsContact C-N 3.29Å; S283-S285 PolarHBondContact O-N 2.74Å; S283-S285 PolarHBondContact OG-OG 3.16Å; S285-A288 PolarHBondContact O-N 2.93Å; S285-A289 VanDerWaalsContact O-CB 3.26Å; S285-A289 WeakPolarHBondContact O-CB 3.36Å; S285-A289 PolarHBondContact O-N 3.18Å |
| 286 | I | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 19.8 Ų | 19.8 | 17% | 0.169 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 178.7 | -72 | 170.1 | 0 | 0 | 0 | 111.2 | Y282 S283 A289 A290 L307 C315 | Y282-I286 HydrophobicContact CD1-CG2 4.28Å; S283-I286 PolarHBondContact O-N 3.4Å; S283-I286 WeakPolarHBondContact OG-CB 3.27Å; S283-I286 WeakPolarHBondContact OG-CD1 3.47Å; S283-I286 VanDerWaalsContact OG-CG1 3.25Å; S283-I286 WeakPolarHBondContact OG-CG1 3.32Å; S283-I286 PolarHBondContact OG-N 3.07Å; I286-A289 PolarHBondContact O-N 3.47Å; I286-A290 WeakPolarHBondContact O-CB 3.02Å; I286-A290 PolarHBondContact O-N 3Å; I286-L307 HydrophobicContact CG1-CD1 4.26Å; I286-C315 HydrophobicContact CG2-CB 3.49Å; I286-C315 VanDerWaalsContact CG2-CB 3.49Å |
| 287 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | 174.7 | -78.3 | 158.8 | 0 | 0 | 0 | 111.7 | L270 M274 Y282 S283 Y284 A289 A290 A291 W318 M319 | L270-L287 HydrophobicContact CD2-CB 4.39Å; M274-L287 HydrophobicContact CE-CD1 4.28Å; M274-L287 HydrophobicContact SD-CD1 3.8Å; M274-L287 HydrophobicContact SD-CD2 4.42Å; Y282-L287 HydrophobicContact CD2-CD2 4.37Å; S283-L287 PolarHBondContact O-N 3.39Å; Y284-L287 HydrophobicContact CD1-CD1 4.03Å; L287-A289 PolarHBondContact O-N 3.43Å; L287-A290 PolarHBondContact O-N 2.89Å; L287-A291 WeakPolarHBondContact O-CB 3.21Å; L287-A291 PolarHBondContact O-N 3.42Å; L287-W318 HydrophobicContact CD2-CH2 4.32Å; L287-W318 HydrophobicContact CD2-CZ3 3.77Å; L287-M319 HydrophobicContact CD2-CE 4.1Å |
| 288 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P234 W237 L238 Y241 Y284 S285 F292 | P234-A288 WeakPolarHBondContact O-CB 3.38Å; W237-A288 HydrophobicContact CB-CB 3.57Å; L238-A288 HydrophobicContact CB-CB 4.13Å; Y241-A288 HydrophobicContact CD2-CB 4.13Å; Y241-A288 HydrophobicContact CE2-CB 3.81Å; Y284-A288 WeakPolarHBondContact O-CB 3.05Å; Y284-A288 PolarHBondContact O-N 3.47Å; S285-A288 PolarHBondContact O-N 2.93Å; A288-F292 WeakPolarHBondContact O-CB 3.23Å; A288-F292 PolarHBondContact O-N 3.42Å |
| 289 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y241 S285 I286 L287 F292 C293 V301 L307 V312 | Y241-A289 HydrophobicContact CD2-CB 4.39Å; Y241-A289 HydrophobicContact CE2-CB 3.83Å; S285-A289 VanDerWaalsContact O-CB 3.26Å; S285-A289 WeakPolarHBondContact O-CB 3.36Å; S285-A289 PolarHBondContact O-N 3.18Å; I286-A289 PolarHBondContact O-N 3.47Å; L287-A289 PolarHBondContact O-N 3.43Å; A289-F292 PolarHBondContact O-N 2.95Å; A289-C293 VanDerWaalsContact O-CB 3.31Å; A289-C293 WeakPolarHBondContact O-CB 3.26Å; A289-C293 PolarHBondContact O-N 2.86Å; A289-V301 HydrophobicContact CB-CG1 3.84Å; A289-L307 HydrophobicContact CB-CD1 3.62Å; A289-V312 HydrophobicContact CB-CG2 4.37Å |
| 290 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I286 L287 C293 H294 V312 C315 M319 | I286-A290 WeakPolarHBondContact O-CB 3.02Å; I286-A290 PolarHBondContact O-N 3Å; L287-A290 PolarHBondContact O-N 2.89Å; A290-C293 WeakPolarHBondContact O-CB 3.38Å; A290-C293 PolarHBondContact O-N 3.32Å; A290-H294 PolarHBondContact O-CD2 2.9Å; A290-H294 VanDerWaalsContact O-CD2 3.31Å; A290-H294 PolarHBondContact O-N 2.93Å; A290-V312 HydrophobicContact CB-CG1 4.15Å; A290-C315 HydrophobicContact CB-CB 3.85Å; A290-M319 HydrophobicContact CB-CE 4.13Å; A290-M319 HydrophobicContact CB-SD 4.22Å |
| 291 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I266 L269 L270 L287 C293 H294 F295 M319 | I266-A291 HydrophobicContact CG2-CB 3.89Å; L269-A291 HydrophobicContact CD2-CB 4.11Å; L270-A291 HydrophobicContact CD1-CB 4.41Å; L270-A291 HydrophobicContact CD2-CB 3.51Å; L270-A291 HydrophobicContact CG-CB 3.7Å; L287-A291 WeakPolarHBondContact O-CB 3.21Å; L287-A291 PolarHBondContact O-N 3.42Å; A291-C293 VanDerWaalsContact C-N 3.27Å; A291-C293 PolarHBondContact O-N 3.09Å; A291-H294 PolarHBondContact O-N 3.28Å; A291-H294 VanDerWaalsContact O-N 3.13Å; A291-F295 WeakPolarHBondContact O-CD2 3.48Å; A291-M319 WeakPolarHBondContact CA-SD 3.19Å; A291-M319 HydrophobicContact CB-CE 4.23Å; A291-M319 HydrophobicContact CB-SD 3.71Å; A291-M319 PolarHBondContact N-SD 3.19Å; A291-M319 VanDerWaalsContact N-SD 3.41Å |
| 292 | F | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -34.2 | 176.6 | -172.4 | -142.1 | 0 | 0 | 0 | 112.4 | L238 V242 E245 I266 A288 A289 H294 F295 S296 V300 V301 V304 | L238-F292 HydrophobicContact CD1-CB 4.07Å; L238-F292 HydrophobicContact CD1-CG 4.48Å; V242-F292 HydrophobicContact CG1-CD2 4.09Å; V242-F292 HydrophobicContact CG1-CE2 3.85Å; V242-F292 HydrophobicContact CG1-CZ 4.23Å; E245-F292 HydrophobicContact CB-CE1 4.4Å; E245-F292 HydrophobicContact CB-CZ 4.08Å; E245-F292 HydrophobicContact CG-CZ 4.04Å; I266-F292 HydrophobicContact CD1-CD2 3.79Å; I266-F292 HydrophobicContact CD1-CE2 4.26Å; A288-F292 WeakPolarHBondContact O-CB 3.23Å; A288-F292 PolarHBondContact O-N 3.42Å; A289-F292 PolarHBondContact O-N 2.95Å; F292-H294 PolarHBondContact O-N 3.03Å; F292-F295 CarbonylContact O-C 3.46Å; F292-F295 PolarHBondContact O-N 2.94Å; F292-S296 PolarHBondContact O-N 3.41Å; F292-S296 PolarHBondContact O-OG 3.3Å; F292-V300 HydrophobicContact CE1-CG1 3.89Å; F292-V300 HydrophobicContact CZ-CG1 4.07Å; F292-V301 HydrophobicContact CD1-CG2 3.98Å; F292-V301 HydrophobicContact CG-CG2 4.49Å; F292-V304 HydrophobicContact CD1-CG2 4.23Å; F292-V304 HydrophobicContact CE1-CG2 3.98Å |
| 293 | C | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -17.1 | 175.8 | -160.5 | 0 | 0 | 0 | 0 | 114.1 | A289 A290 A291 F295 S296 V301 Y316 | A289-C293 VanDerWaalsContact O-CB 3.31Å; A289-C293 WeakPolarHBondContact O-CB 3.26Å; A289-C293 PolarHBondContact O-N 2.86Å; A290-C293 WeakPolarHBondContact O-CB 3.38Å; A290-C293 PolarHBondContact O-N 3.32Å; A291-C293 VanDerWaalsContact C-N 3.27Å; A291-C293 PolarHBondContact O-N 3.09Å; C293-F295 VanDerWaalsContact C-N 3.27Å; C293-S296 VanDerWaalsContact O-O 3.06Å; C293-V301 HydrophobicContact CB-CG2 3.8Å; C293-Y316 HydrophobicContact CB-CD2 3.92Å; C293-Y316 HydrophobicContact CB-CE2 4.24Å |
| 294 | H | 98.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 9% | 0.088 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.4 | 170.8 | -82.2 | -74.4 | 0 | 0 | 0 | 113.4 | L269 A290 A291 F292 Y316 S320 M323 | L269-H294 HydrophobicContact CD2-CB 4.07Å; A290-H294 PolarHBondContact O-CD2 2.9Å; A290-H294 VanDerWaalsContact O-CD2 3.31Å; A290-H294 PolarHBondContact O-N 2.93Å; A291-H294 PolarHBondContact O-N 3.28Å; A291-H294 VanDerWaalsContact O-N 3.13Å; F292-H294 PolarHBondContact O-N 3.03Å; H294-Y316 AromaticContact CD2-CD2 3.64Å; H294-Y316 AromaticContact CD2-CE2 3.67Å; H294-Y316 AromaticContact CE1-CD2 3.74Å; H294-Y316 AromaticContact CE1-CE2 3.29Å; H294-Y316 WeakPolarHBondContact CE1-CE2 3.29Å; H294-Y316 AromaticContact CE1-CZ 3.5Å; H294-Y316 AromaticContact CG-CE2 3.73Å; H294-Y316 AromaticContact ND1-CE2 3.53Å; H294-Y316 AromaticContact ND1-CZ 3.88Å; H294-Y316 AromaticContact NE2-CD2 3.33Å; H294-Y316 VanDerWaalsContact NE2-CD2 3.33Å; H294-Y316 WeakPolarHBondContact NE2-CD2 3.39Å; H294-Y316 AromaticContact NE2-CE2 3.39Å; H294-Y316 WeakPolarHBondContact NE2-CE2 3.33Å; H294-Y316 AromaticContact NE2-CG 3.91Å; H294-Y316 AromaticContact NE2-CZ 3.98Å; H294-Y316 PolarHBondContact NE2-O 3.48Å; H294-S320 PolarHBondContact CE1-OG 3.24Å; H294-M323 HydrophobicContact CB-CG 4.01Å; H294-M323 HydrophobicContact CB-SD 3.98Å |
| 295 | F | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 30% | 0.298 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -2 | -177.8 | -65.7 | -94.7 | 0 | 0 | 0 | 113.7 | Q265 I266 L269 A291 F292 C293 M323 | Q265-F295 HydrophobicContact CB-CD1 4.47Å; Q265-F295 HydrophobicContact CB-CE1 3.69Å; Q265-F295 HydrophobicContact CB-CZ 4.05Å; I266-F295 HydrophobicContact CB-CD2 4.24Å; I266-F295 HydrophobicContact CB-CE2 4.31Å; I266-F295 HydrophobicContact CD1-CB 4.4Å; I266-F295 HydrophobicContact CG1-CB 4Å; I266-F295 HydrophobicContact CG1-CD1 4.24Å; I266-F295 HydrophobicContact CG1-CD2 3.52Å; I266-F295 HydrophobicContact CG1-CE2 3.97Å; I266-F295 HydrophobicContact CG1-CG 3.66Å; I266-F295 HydrophobicContact CG2-CD2 4.33Å; L269-F295 HydrophobicContact CB-CE2 4.45Å; L269-F295 HydrophobicContact CD2-CE2 4.03Å; A291-F295 WeakPolarHBondContact O-CD2 3.48Å; F292-F295 CarbonylContact O-C 3.46Å; F292-F295 PolarHBondContact O-N 2.94Å; C293-F295 VanDerWaalsContact C-N 3.27Å; F295-M323 HydrophobicContact CE1-CE 4.45Å; F295-M323 HydrophobicContact CE2-CE 4.45Å; F295-M323 HydrophobicContact CE2-SD 3.71Å; F295-M323 HydrophobicContact CZ-CE 3.87Å; F295-M323 HydrophobicContact CZ-SD 3.75Å |
| 296 | S | 97.2 | Very high | 97.4 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -143.8 | 174.9 | -178 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | F292 C293 V301 | F292-S296 PolarHBondContact O-N 3.41Å; F292-S296 PolarHBondContact O-OG 3.3Å; C293-S296 VanDerWaalsContact O-O 3.06Å; S296-V301 WeakPolarHBondContact OG-CG2 3.34Å |
| 297 | T | 97.6 | Very high | 97.3 | Very high | 81 Ų | 81 | 34 Ų | 34 | 50% | 0.497 | 18% | 0.178 | S | C | . | . | trans | -82.5 | 155.8 | 172.4 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | D299 V300 V301 | T297-D299 PolarHBondContact O-N 3.34Å; T297-V300 WeakPolarHBondContact O-CB 3.36Å; T297-V300 PolarHBondContact O-N 2.89Å; T297-V300 VanDerWaalsContact O-N 3.12Å; T297-V301 PolarHBondContact O-N 3.09Å | ||
| 298 | F | 97.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -31.2 | 175.1 | 177.5 | -103 | 0 | 0 | 0 | 112.5 | V300 V301 H302 W309 V312 | F298-V300 VanDerWaalsContact C-N 3.29Å; F298-V300 PolarHBondContact O-N 3.26Å; F298-V301 HydrophobicContact CD2-CB 4.34Å; F298-V301 PolarHBondContact O-N 3.47Å; F298-H302 HydrophobicContact CE1-CB 3.9Å; F298-H302 HydrophobicContact CE2-CB 4.46Å; F298-H302 HydrophobicContact CZ-CB 3.84Å; F298-H302 WeakPolarHBondContact O-CB 3.41Å; F298-H302 PolarHBondContact O-N 3.02Å; F298-W309 HydrophobicContact CB-CE3 4.33Å; F298-W309 HydrophobicContact CD1-CB 4.16Å; F298-W309 HydrophobicContact CD1-CE3 4.5Å; F298-W309 HydrophobicContact CD2-CD2 4.37Å; F298-W309 AromaticContact CD2-CE3 3.44Å; F298-W309 HydrophobicContact CD2-CE3 3.44Å; F298-W309 VanDerWaalsContact CD2-CE3 3.44Å; F298-W309 HydrophobicContact CD2-CZ3 4.06Å; F298-W309 HydrophobicContact CE1-CB 3.74Å; F298-W309 HydrophobicContact CE2-CB 4.11Å; F298-W309 AromaticContact CE2-CE3 3.93Å; F298-W309 HydrophobicContact CE2-CE3 3.93Å; F298-W309 HydrophobicContact CG-CD2 4.42Å; F298-W309 AromaticContact CG-CE3 3.78Å; F298-W309 HydrophobicContact CG-CE3 3.78Å; F298-W309 HydrophobicContact CG-CZ3 4.41Å; F298-W309 HydrophobicContact CZ-CB 3.74Å; F298-V312 HydrophobicContact CE2-CG2 4.42Å |
| 299 | D | 97.7 | Very high | 97.1 | Very high | 124 Ų | 124 | 41.2 Ų | 41.2 | 66% | 0.663 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61 | -38.2 | 176.4 | -55.4 | -46 | 0 | 0 | 0 | 112.2 | T297 K303 | T297-D299 PolarHBondContact O-N 3.34Å; D299-K303 WeakPolarHBondContact O-CB 3.24Å; D299-K303 PolarHBondContact O-N 2.72Å |
| 300 | V | 97.5 | Very high | 97 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -49.6 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | E245 F292 T297 F298 H302 K303 V304 | E245-V300 HydrophobicContact CB-CG1 4.42Å; E245-V300 HydrophobicContact CG-CG1 3.59Å; F292-V300 HydrophobicContact CE1-CG1 3.89Å; F292-V300 HydrophobicContact CZ-CG1 4.07Å; T297-V300 WeakPolarHBondContact O-CB 3.36Å; T297-V300 PolarHBondContact O-N 2.89Å; T297-V300 VanDerWaalsContact O-N 3.12Å; F298-V300 VanDerWaalsContact C-N 3.29Å; F298-V300 PolarHBondContact O-N 3.26Å; V300-H302 VanDerWaalsContact C-N 3.29Å; V300-H302 PolarHBondContact O-N 2.66Å; V300-K303 WeakPolarHBondContact O-CB 3.36Å; V300-K303 PolarHBondContact O-N 3.1Å; V300-K303 VanDerWaalsContact O-N 3.16Å; V300-V304 WeakPolarHBondContact O-CG1 3.16Å; V300-V304 PolarHBondContact O-N 3.35Å |
| 301 | V | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | A289 F292 C293 S296 T297 F298 V304 S305 | A289-V301 HydrophobicContact CB-CG1 3.84Å; F292-V301 HydrophobicContact CD1-CG2 3.98Å; F292-V301 HydrophobicContact CG-CG2 4.49Å; C293-V301 HydrophobicContact CB-CG2 3.8Å; S296-V301 WeakPolarHBondContact OG-CG2 3.34Å; T297-V301 PolarHBondContact O-N 3.09Å; F298-V301 HydrophobicContact CD2-CB 4.34Å; F298-V301 PolarHBondContact O-N 3.47Å; V301-V304 PolarHBondContact O-N 3.04Å; V301-S305 WeakPolarHBondContact O-CB 3.41Å; V301-S305 PolarHBondContact O-N 2.91Å; V301-S305 PolarHBondContact O-OG 3.22Å |
| 302 | H | 96.1 | Very high | 96.8 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.9 | -172.3 | 59.7 | 0 | 0 | 0 | 111.6 | F298 V300 V304 G306 L307 | F298-H302 HydrophobicContact CE1-CB 3.9Å; F298-H302 HydrophobicContact CE2-CB 4.46Å; F298-H302 HydrophobicContact CZ-CB 3.84Å; F298-H302 WeakPolarHBondContact O-CB 3.41Å; F298-H302 PolarHBondContact O-N 3.02Å; V300-H302 VanDerWaalsContact C-N 3.29Å; V300-H302 PolarHBondContact O-N 2.66Å; H302-V304 PolarHBondContact O-N 3.4Å; H302-G306 VanDerWaalsContact O-CA 3.32Å; H302-G306 WeakPolarHBondContact O-CA 3.35Å; H302-G306 PolarHBondContact O-N 3.42Å; H302-L307 PolarHBondContact ND1-O 3.18Å |
| 303 | K | 95.4 | Very high | 96.7 | Very high | 146 Ų | 146 | 50.8 Ų | 50.8 | 64% | 0.635 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.1 | -45.4 | 177.1 | -177.5 | -167.4 | 172 | -161.7 | 0 | 112.1 | P92 D299 V300 | P92-K303 VanDerWaalsContact CB-O 3.3Å; P92-K303 WeakPolarHBondContact CB-O 3.21Å; D299-K303 WeakPolarHBondContact O-CB 3.24Å; D299-K303 PolarHBondContact O-N 2.72Å; V300-K303 WeakPolarHBondContact O-CB 3.36Å; V300-K303 PolarHBondContact O-N 3.1Å; V300-K303 VanDerWaalsContact O-N 3.16Å |
| 304 | V | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -88.4 | -15.2 | -171.7 | -52.5 | 0 | 0 | 0 | 0 | 115.2 | P92 Y241 V244 E245 F292 V300 V301 H302 | P92-V304 WeakPolarHBondContact CB-O 3.34Å; P92-V304 WeakPolarHBondContact CG-O 3.45Å; Y241-V304 HydrophobicContact CD1-CG2 4.15Å; Y241-V304 WeakPolarHBondContact CD1-O 3.41Å; Y241-V304 HydrophobicContact CG-CG2 4.05Å; V244-V304 HydrophobicContact CB-CB 4.08Å; V244-V304 HydrophobicContact CB-CG1 4.11Å; V244-V304 HydrophobicContact CG1-CB 3.94Å; V244-V304 HydrophobicContact CG1-CG1 3.82Å; E245-V304 HydrophobicContact CB-CG1 4.01Å; F292-V304 HydrophobicContact CD1-CG2 4.23Å; F292-V304 HydrophobicContact CE1-CG2 3.98Å; V300-V304 WeakPolarHBondContact O-CG1 3.16Å; V300-V304 PolarHBondContact O-N 3.35Å; V301-V304 PolarHBondContact O-N 3.04Å; H302-V304 PolarHBondContact O-N 3.4Å |
| 305 | S | 95.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -120.7 | -16.9 | -177.9 | 71.5 | 0 | 0 | 0 | 0 | 114.6 | W105 V301 L307 | W105-S305 WeakPolarHBondContact CH2-O 3.48Å; W105-S305 VanDerWaalsContact CZ2-O 3.27Å; W105-S305 WeakPolarHBondContact CZ2-O 3.44Å; V301-S305 WeakPolarHBondContact O-CB 3.41Å; V301-S305 PolarHBondContact O-N 2.91Å; V301-S305 PolarHBondContact O-OG 3.22Å; S305-L307 PolarHBondContact O-N 2.94Å; S305-L307 VanDerWaalsContact O-N 3.08Å; S305-L307 WeakPolarHBondContact OG-CB 3.28Å; S305-L307 PolarHBondContact OG-N 2.75Å |
| 306 | G | 93.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | trans | 68 | -4.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K89 H302 | K89-G306 PolarHBondContact NZ-O 2.86Å; H302-G306 VanDerWaalsContact O-CA 3.32Å; H302-G306 WeakPolarHBondContact O-CA 3.35Å; H302-G306 PolarHBondContact O-N 3.42Å | ||
| 307 | L | 95.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | trans | -69.3 | 146.4 | -176.9 | -63.1 | 173.3 | 0 | 0 | 0 | 111.8 | I286 A289 H302 S305 V312 | I286-L307 HydrophobicContact CG1-CD1 4.26Å; A289-L307 HydrophobicContact CB-CD1 3.62Å; H302-L307 PolarHBondContact ND1-O 3.18Å; S305-L307 PolarHBondContact O-N 2.94Å; S305-L307 VanDerWaalsContact O-N 3.08Å; S305-L307 WeakPolarHBondContact OG-CB 3.28Å; S305-L307 PolarHBondContact OG-N 2.75Å; L307-V312 HydrophobicContact CB-CG2 3.8Å; L307-V312 HydrophobicContact CD1-CG2 4.07Å | ||
| 308 | T | 96.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -87.1 | 153.7 | 175.4 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | E310 S311 V312 | T308-E310 PolarHBondContact O-N 2.97Å; T308-S311 WeakPolarHBondContact O-CB 3.21Å; T308-S311 PolarHBondContact O-N 2.97Å; T308-S311 PolarHBondContact OG1-OG 3.23Å; T308-V312 PolarHBondContact O-N 2.99Å | ||
| 309 | W | 96.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 52 Ų | 52 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57 | -40.9 | 177.9 | 179.3 | -122.9 | 0 | 0 | 0 | 111.7 | F298 S311 V312 V313 Y316 | F298-W309 HydrophobicContact CB-CE3 4.33Å; F298-W309 HydrophobicContact CD1-CB 4.16Å; F298-W309 HydrophobicContact CD1-CE3 4.5Å; F298-W309 HydrophobicContact CD2-CD2 4.37Å; F298-W309 AromaticContact CD2-CE3 3.44Å; F298-W309 HydrophobicContact CD2-CE3 3.44Å; F298-W309 VanDerWaalsContact CD2-CE3 3.44Å; F298-W309 HydrophobicContact CD2-CZ3 4.06Å; F298-W309 HydrophobicContact CE1-CB 3.74Å; F298-W309 HydrophobicContact CE2-CB 4.11Å; F298-W309 AromaticContact CE2-CE3 3.93Å; F298-W309 HydrophobicContact CE2-CE3 3.93Å; F298-W309 HydrophobicContact CG-CD2 4.42Å; F298-W309 AromaticContact CG-CE3 3.78Å; F298-W309 HydrophobicContact CG-CE3 3.78Å; F298-W309 HydrophobicContact CG-CZ3 4.41Å; F298-W309 HydrophobicContact CZ-CB 3.74Å; W309-S311 PolarHBondContact O-N 2.94Å; W309-S311 VanDerWaalsContact O-N 3.1Å; W309-V312 HydrophobicContact CE3-CB 4.48Å; W309-V312 PolarHBondContact O-N 3.48Å; W309-V312 VanDerWaalsContact O-N 3.08Å; W309-V313 HydrophobicContact CD2-CB 3.88Å; W309-V313 HydrophobicContact CD2-CG2 4.37Å; W309-V313 HydrophobicContact CE3-CB 4.25Å; W309-V313 HydrophobicContact CG-CB 4.4Å; W309-V313 HydrophobicContact CH2-CB 4.2Å; W309-V313 HydrophobicContact CH2-CG2 4.01Å; W309-V313 HydrophobicContact CZ2-CB 3.79Å; W309-V313 HydrophobicContact CZ2-CG2 3.39Å; W309-V313 HydrophobicContact CZ3-CB 4.41Å; W309-V313 VanDerWaalsContact O-CB 3.28Å; W309-V313 WeakPolarHBondContact O-CB 3.29Å; W309-V313 VanDerWaalsContact O-CG1 3.32Å; W309-V313 WeakPolarHBondContact O-CG1 3.46Å; W309-V313 PolarHBondContact O-N 3.45Å; W309-Y316 AromaticContact CH2-CD1 3.79Å; W309-Y316 HydrophobicContact CH2-CD1 3.79Å; W309-Y316 HydrophobicContact CH2-CE1 4.2Å; W309-Y316 HydrophobicContact CH2-CG 4.04Å; W309-Y316 HydrophobicContact CZ3-CG 4.37Å |
| 310 | E | 96.8 | Very high | 96.9 | Very high | 150 Ų | 150 | 47.3 Ų | 47.3 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -52.8 | -31.4 | 173.7 | -60.2 | 175.1 | 169.5 | 0 | 0 | 114 | T308 | T308-E310 PolarHBondContact O-N 2.97Å |
| 311 | S | 95.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -87.3 | -29.9 | -179 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | T308 W309 | T308-S311 WeakPolarHBondContact O-CB 3.21Å; T308-S311 PolarHBondContact O-N 2.97Å; T308-S311 PolarHBondContact OG1-OG 3.23Å; W309-S311 PolarHBondContact O-N 2.94Å; W309-S311 VanDerWaalsContact O-N 3.1Å |
| 312 | V | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -90.3 | -35.7 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | A289 A290 F298 L307 T308 W309 C315 Y316 | A289-V312 HydrophobicContact CB-CG2 4.37Å; A290-V312 HydrophobicContact CB-CG1 4.15Å; F298-V312 HydrophobicContact CE2-CG2 4.42Å; L307-V312 HydrophobicContact CB-CG2 3.8Å; L307-V312 HydrophobicContact CD1-CG2 4.07Å; T308-V312 PolarHBondContact O-N 2.99Å; W309-V312 HydrophobicContact CE3-CB 4.48Å; W309-V312 PolarHBondContact O-N 3.48Å; W309-V312 VanDerWaalsContact O-N 3.08Å; V312-C315 PolarHBondContact O-N 2.86Å; V312-C315 VanDerWaalsContact O-N 3.12Å; V312-Y316 PolarHBondContact O-N 3.28Å |
| 313 | V | 98.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 17% | 0.17 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56 | -38.6 | -172.5 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | W309 C315 Y316 Q317 | W309-V313 HydrophobicContact CD2-CB 3.88Å; W309-V313 HydrophobicContact CD2-CG2 4.37Å; W309-V313 HydrophobicContact CE3-CB 4.25Å; W309-V313 HydrophobicContact CG-CB 4.4Å; W309-V313 HydrophobicContact CH2-CB 4.2Å; W309-V313 HydrophobicContact CH2-CG2 4.01Å; W309-V313 HydrophobicContact CZ2-CB 3.79Å; W309-V313 HydrophobicContact CZ2-CG2 3.39Å; W309-V313 HydrophobicContact CZ3-CB 4.41Å; W309-V313 VanDerWaalsContact O-CB 3.28Å; W309-V313 WeakPolarHBondContact O-CB 3.29Å; W309-V313 VanDerWaalsContact O-CG1 3.32Å; W309-V313 WeakPolarHBondContact O-CG1 3.46Å; W309-V313 PolarHBondContact O-N 3.45Å; V313-C315 VanDerWaalsContact C-N 3.33Å; V313-C315 PolarHBondContact O-N 3.41Å; V313-Y316 PolarHBondContact O-N 3.44Å; V313-Q317 HydrophobicContact CG2-CG 4.09Å; V313-Q317 WeakPolarHBondContact O-CB 3.45Å; V313-Q317 VanDerWaalsContact O-CG 3.29Å; V313-Q317 WeakPolarHBondContact O-CG 3.23Å; V313-Q317 PolarHBondContact O-N 3.5Å |
| 314 | P | 98.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.8 | -38.3 | 179.9 | -18.2 | 33.9 | 0 | 0 | 0 | 111.5 | Y282 W318 | Y282-P314 HydrophobicContact CE1-CB 4.31Å; Y282-P314 PolarHBondContact OH-O 3.15Å; P314-W318 WeakPolarHBondContact O-CB 3.5Å; P314-W318 PolarHBondContact O-N 3.11Å; P314-W318 VanDerWaalsContact O-N 3.08Å |
| 315 | C | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.5 | -44.3 | 176.3 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | Y282 I286 A290 V312 V313 Q317 W318 M319 | Y282-C315 HydrophobicContact CD1-CB 3.53Å; Y282-C315 HydrophobicContact CD2-CB 4.39Å; Y282-C315 HydrophobicContact CE1-CB 3.62Å; Y282-C315 HydrophobicContact CE2-CB 4.48Å; Y282-C315 HydrophobicContact CG-CB 3.94Å; I286-C315 HydrophobicContact CG2-CB 3.49Å; I286-C315 VanDerWaalsContact CG2-CB 3.49Å; A290-C315 HydrophobicContact CB-CB 3.85Å; V312-C315 PolarHBondContact O-N 2.86Å; V312-C315 VanDerWaalsContact O-N 3.12Å; V313-C315 VanDerWaalsContact C-N 3.33Å; V313-C315 PolarHBondContact O-N 3.41Å; C315-Q317 VanDerWaalsContact C-N 3.32Å; C315-Q317 PolarHBondContact O-N 3.08Å; C315-W318 PolarHBondContact O-N 3.07Å; C315-M319 WeakPolarHBondContact O-CB 3.47Å; C315-M319 PolarHBondContact O-N 3.29Å |
| 316 | Y | 98.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 176.1 | 174.9 | -90 | 0 | 0 | 0 | 112.4 | C293 H294 W309 V312 V313 M319 S320 | C293-Y316 HydrophobicContact CB-CD2 3.92Å; C293-Y316 HydrophobicContact CB-CE2 4.24Å; H294-Y316 AromaticContact CD2-CD2 3.64Å; H294-Y316 AromaticContact CD2-CE2 3.67Å; H294-Y316 AromaticContact CE1-CD2 3.74Å; H294-Y316 AromaticContact CE1-CE2 3.29Å; H294-Y316 WeakPolarHBondContact CE1-CE2 3.29Å; H294-Y316 AromaticContact CE1-CZ 3.5Å; H294-Y316 AromaticContact CG-CE2 3.73Å; H294-Y316 AromaticContact ND1-CE2 3.53Å; H294-Y316 AromaticContact ND1-CZ 3.88Å; H294-Y316 AromaticContact NE2-CD2 3.33Å; H294-Y316 VanDerWaalsContact NE2-CD2 3.33Å; H294-Y316 WeakPolarHBondContact NE2-CD2 3.39Å; H294-Y316 AromaticContact NE2-CE2 3.39Å; H294-Y316 WeakPolarHBondContact NE2-CE2 3.33Å; H294-Y316 AromaticContact NE2-CG 3.91Å; H294-Y316 AromaticContact NE2-CZ 3.98Å; H294-Y316 PolarHBondContact NE2-O 3.48Å; W309-Y316 AromaticContact CH2-CD1 3.79Å; W309-Y316 HydrophobicContact CH2-CD1 3.79Å; W309-Y316 HydrophobicContact CH2-CE1 4.2Å; W309-Y316 HydrophobicContact CH2-CG 4.04Å; W309-Y316 HydrophobicContact CZ3-CG 4.37Å; V312-Y316 PolarHBondContact O-N 3.28Å; V313-Y316 PolarHBondContact O-N 3.44Å; Y316-M319 PolarHBondContact O-N 3.2Å; Y316-S320 PolarHBondContact O-N 3.47Å; Y316-S320 VanDerWaalsContact O-N 3.1Å; Y316-S320 PolarHBondContact O-OG 3.35Å |
| 317 | Q | 98 | Very high | 97.5 | Very high | 127 Ų | 127 | 46.2 Ų | 46.2 | 59% | 0.593 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.6 | -47.5 | 176 | -74.3 | 177.3 | -11 | 0 | 0 | 112.1 | V313 C315 M319 S320 | V313-Q317 HydrophobicContact CG2-CG 4.09Å; V313-Q317 WeakPolarHBondContact O-CB 3.45Å; V313-Q317 VanDerWaalsContact O-CG 3.29Å; V313-Q317 WeakPolarHBondContact O-CG 3.23Å; V313-Q317 PolarHBondContact O-N 3.5Å; C315-Q317 VanDerWaalsContact C-N 3.32Å; C315-Q317 PolarHBondContact O-N 3.08Å; Q317-M319 PolarHBondContact O-N 3.16Å; Q317-S320 WeakPolarHBondContact O-CB 3.5Å; Q317-S320 PolarHBondContact O-N 3.05Å; Q317-S320 VanDerWaalsContact O-N 3.16Å |
| 318 | W | 98 | Very high | 97.4 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.8 | -37.9 | 174.3 | 166.1 | 82.2 | 0 | 0 | 0 | 112.6 | C273 D276 N278 Y282 L287 P314 C315 S320 P321 F322 | C273-W318 HydrophobicContact CB-CH2 3.87Å; C273-W318 HydrophobicContact CB-CZ3 4.08Å; D276-W318 HydrophobicContact CB-CZ2 4.19Å; N278-W318 HydrophobicContact CB-CZ2 4.28Å; Y282-W318 HydrophobicContact CD2-CD2 4.46Å; Y282-W318 HydrophobicContact CD2-CE3 4.12Å; Y282-W318 HydrophobicContact CD2-CZ3 4.34Å; Y282-W318 HydrophobicContact CE2-CB 4.22Å; Y282-W318 AromaticContact CE2-CD2 3.64Å; Y282-W318 HydrophobicContact CE2-CD2 3.64Å; Y282-W318 AromaticContact CE2-CE3 3.66Å; Y282-W318 HydrophobicContact CE2-CE3 3.66Å; Y282-W318 AromaticContact CE2-CG 3.89Å; Y282-W318 HydrophobicContact CE2-CG 3.89Å; Y282-W318 HydrophobicContact CE2-CZ3 4.3Å; Y282-W318 VanDerWaalsContact OH-CB 3.27Å; Y282-W318 WeakPolarHBondContact OH-CB 3.24Å; L287-W318 HydrophobicContact CD2-CH2 4.32Å; L287-W318 HydrophobicContact CD2-CZ3 3.77Å; P314-W318 WeakPolarHBondContact O-CB 3.5Å; P314-W318 PolarHBondContact O-N 3.11Å; P314-W318 VanDerWaalsContact O-N 3.08Å; C315-W318 PolarHBondContact O-N 3.07Å; W318-S320 VanDerWaalsContact C-N 3.33Å; W318-P321 WeakPolarHBondContact O-CD 3.38Å; W318-F322 HydrophobicContact CD2-CE2 4.17Å; W318-F322 AromaticContact CE2-CE2 3.76Å; W318-F322 HydrophobicContact CH2-CE2 4.28Å; W318-F322 HydrophobicContact CH2-CZ 4.49Å; W318-F322 AromaticContact CZ2-CE2 3.84Å; W318-F322 HydrophobicContact CZ2-CE2 3.84Å; W318-F322 AromaticContact CZ2-CZ 3.9Å; W318-F322 HydrophobicContact CZ2-CZ 3.9Å; W318-F322 WeakPolarHBondContact O-CD2 3.2Å; W318-F322 WeakPolarHBondContact O-CE2 3.37Å |
| 319 | M | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.8 | -20.7 | 179.9 | -171.5 | 167.9 | -67 | 0 | 0 | 113.5 | L269 C273 L287 A290 A291 C315 Y316 Q317 F322 M323 | L269-M319 HydrophobicContact CD1-CG 4.01Å; L269-M319 HydrophobicContact CD2-CG 4.04Å; L269-M319 HydrophobicContact CD2-SD 3.71Å; L269-M319 HydrophobicContact CG-CG 4.15Å; L269-M319 HydrophobicContact CG-SD 4.01Å; C273-M319 HydrophobicContact CB-CE 4.37Å; L287-M319 HydrophobicContact CD2-CE 4.1Å; A290-M319 HydrophobicContact CB-CE 4.13Å; A290-M319 HydrophobicContact CB-SD 4.22Å; A291-M319 WeakPolarHBondContact CA-SD 3.19Å; A291-M319 HydrophobicContact CB-CE 4.23Å; A291-M319 HydrophobicContact CB-SD 3.71Å; A291-M319 PolarHBondContact N-SD 3.19Å; A291-M319 VanDerWaalsContact N-SD 3.41Å; C315-M319 WeakPolarHBondContact O-CB 3.47Å; C315-M319 PolarHBondContact O-N 3.29Å; Y316-M319 PolarHBondContact O-N 3.2Å; Q317-M319 PolarHBondContact O-N 3.16Å; M319-F322 WeakPolarHBondContact O-CB 3.5Å; M319-F322 PolarHBondContact O-N 2.98Å; M319-F322 VanDerWaalsContact O-N 3.13Å; M319-M323 PolarHBondContact O-N 2.88Å; M319-M323 VanDerWaalsContact O-N 3.11Å |
| 320 | S | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | -171.2 | -66.2 | 0 | 0 | 0 | 0 | 114.2 | H294 Y316 Q317 W318 F322 M323 D324 | H294-S320 PolarHBondContact CE1-OG 3.24Å; Y316-S320 PolarHBondContact O-N 3.47Å; Y316-S320 VanDerWaalsContact O-N 3.1Å; Y316-S320 PolarHBondContact O-OG 3.35Å; Q317-S320 WeakPolarHBondContact O-CB 3.5Å; Q317-S320 PolarHBondContact O-N 3.05Å; Q317-S320 VanDerWaalsContact O-N 3.16Å; W318-S320 VanDerWaalsContact C-N 3.33Å; S320-F322 VanDerWaalsContact C-N 3.27Å; S320-F322 PolarHBondContact O-N 3.09Å; S320-M323 PolarHBondContact O-N 3.38Å; S320-D324 PolarHBondContact O-N 3.27Å |
| 321 | P | 98.2 | Very high | 97 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65 | -26.4 | 176.9 | -25.3 | 38.5 | 0 | 0 | 0 | 114.5 | W318 T325 R364 Q365 | W318-P321 WeakPolarHBondContact O-CD 3.38Å; P321-T325 WeakPolarHBondContact O-CB 3.39Å; P321-T325 PolarHBondContact O-N 2.89Å; P321-T325 VanDerWaalsContact O-N 3.14Å; P321-T325 PolarHBondContact O-OG1 3.07Å; P321-R364 HydrophobicContact CB-CB 3.98Å; P321-Q365 HydrophobicContact CB-CG 3.84Å; P321-Q365 HydrophobicContact CG-CG 3.72Å |
| 322 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -46.1 | 172.2 | -54.9 | -92.8 | 0 | 0 | 0 | 110.4 | L269 L272 D276 W318 M319 S320 D324 T325 L326 L358 A361 | L269-F322 HydrophobicContact CD1-CB 4Å; L272-F322 HydrophobicContact CD2-CB 4.06Å; L272-F322 HydrophobicContact CD2-CD1 4.39Å; L272-F322 HydrophobicContact CG-CB 4.36Å; L272-F322 HydrophobicContact CG-CD1 3.99Å; D276-F322 HydrophobicContact CB-CE1 4.02Å; D276-F322 HydrophobicContact CB-CZ 3.82Å; W318-F322 HydrophobicContact CD2-CE2 4.17Å; W318-F322 AromaticContact CE2-CE2 3.76Å; W318-F322 HydrophobicContact CH2-CE2 4.28Å; W318-F322 HydrophobicContact CH2-CZ 4.49Å; W318-F322 AromaticContact CZ2-CE2 3.84Å; W318-F322 HydrophobicContact CZ2-CE2 3.84Å; W318-F322 AromaticContact CZ2-CZ 3.9Å; W318-F322 HydrophobicContact CZ2-CZ 3.9Å; W318-F322 WeakPolarHBondContact O-CD2 3.2Å; W318-F322 WeakPolarHBondContact O-CE2 3.37Å; M319-F322 WeakPolarHBondContact O-CB 3.5Å; M319-F322 PolarHBondContact O-N 2.98Å; M319-F322 VanDerWaalsContact O-N 3.13Å; S320-F322 VanDerWaalsContact C-N 3.27Å; S320-F322 PolarHBondContact O-N 3.09Å; F322-D324 PolarHBondContact O-N 3.46Å; F322-T325 WeakPolarHBondContact O-CB 3.49Å; F322-T325 PolarHBondContact O-N 3.12Å; F322-T325 VanDerWaalsContact O-N 3.11Å; F322-L326 PolarHBondContact O-N 2.59Å; F322-L358 HydrophobicContact CE1-CD1 3.82Å; F322-A361 HydrophobicContact CB-CB 4.32Å; F322-A361 HydrophobicContact CD1-CB 3.45Å; F322-A361 VanDerWaalsContact CD1-CB 3.45Å; F322-A361 HydrophobicContact CE1-CB 4Å; F322-A361 HydrophobicContact CG-CB 3.93Å |
| 323 | M | 98.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 174.1 | -175.2 | 66.3 | -121.2 | 0 | 0 | 111.7 | L269 H294 F295 M319 S320 T325 L326 R327 | L269-M323 HydrophobicContact CD1-CB 3.98Å; L269-M323 HydrophobicContact CD1-SD 4.33Å; L269-M323 HydrophobicContact CD2-CB 4.33Å; L269-M323 HydrophobicContact CD2-SD 3.8Å; H294-M323 HydrophobicContact CB-CG 4.01Å; H294-M323 HydrophobicContact CB-SD 3.98Å; F295-M323 HydrophobicContact CE1-CE 4.45Å; F295-M323 HydrophobicContact CE2-CE 4.45Å; F295-M323 HydrophobicContact CE2-SD 3.71Å; F295-M323 HydrophobicContact CZ-CE 3.87Å; F295-M323 HydrophobicContact CZ-SD 3.75Å; M319-M323 PolarHBondContact O-N 2.88Å; M319-M323 VanDerWaalsContact O-N 3.11Å; S320-M323 PolarHBondContact O-N 3.38Å; M323-T325 PolarHBondContact O-N 2.89Å; M323-L326 HydrophobicContact CE-CB 4.28Å; M323-L326 PolarHBondContact O-N 2.86Å; M323-L326 VanDerWaalsContact O-N 3.11Å; M323-R327 HydrophobicContact CE-CG 3.71Å; M323-R327 WeakPolarHBondContact O-CG 3.43Å; M323-R327 PolarHBondContact O-N 3Å |
| 324 | D | 97.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -30.8 | 176.5 | -71.9 | -32.6 | 0 | 0 | 0 | 112.3 | S320 F322 R327 R364 | S320-D324 PolarHBondContact O-N 3.27Å; F322-D324 PolarHBondContact O-N 3.46Å; D324-R327 IonicContact OD1-CZ 3.66Å; D324-R327 IonicContact OD1-NE 3.99Å; D324-R327 IonicContact OD1-NH1 2.7Å; D324-R327 PolarHBondContact OD1-NH1 3.45Å; D324-R364 PolarHBondContact O-NH1 3.24Å |
| 325 | T | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | P321 F322 M323 R327 S328 L357 K360 A361 R364 | P321-T325 WeakPolarHBondContact O-CB 3.39Å; P321-T325 PolarHBondContact O-N 2.89Å; P321-T325 VanDerWaalsContact O-N 3.14Å; P321-T325 PolarHBondContact O-OG1 3.07Å; F322-T325 WeakPolarHBondContact O-CB 3.49Å; F322-T325 PolarHBondContact O-N 3.12Å; F322-T325 VanDerWaalsContact O-N 3.11Å; M323-T325 PolarHBondContact O-N 2.89Å; T325-R327 VanDerWaalsContact C-N 3.32Å; T325-R327 PolarHBondContact O-N 2.61Å; T325-S328 PolarHBondContact O-N 2.95Å; T325-S328 VanDerWaalsContact O-N 3.17Å; T325-S328 PolarHBondContact O-OG 3Å; T325-L357 HydrophobicContact CG2-CB 4.44Å; T325-L357 HydrophobicContact CG2-CD2 4.19Å; T325-K360 HydrophobicContact CG2-CB 3.62Å; T325-K360 HydrophobicContact CG2-CD 4.05Å; T325-A361 WeakPolarHBondContact OG1-CA 3.48Å; T325-A361 PolarHBondContact OG1-N 3.22Å; T325-R364 PolarHBondContact OG1-NE 2.7Å |
| 326 | L | 97.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.3 | -30.3 | 175.8 | -66.4 | 177.4 | 0 | 0 | 0 | 113.3 | Q268 L269 L272 F322 M323 S328 E329 L357 | Q268-L326 HydrophobicContact CG-CD1 4.32Å; Q268-L326 HydrophobicContact CG-CD2 4.19Å; L269-L326 HydrophobicContact CB-CD1 3.94Å; L269-L326 HydrophobicContact CD1-CD1 4.07Å; L272-L326 HydrophobicContact CD2-CD1 4.04Å; L272-L326 HydrophobicContact CD2-CD2 3.95Å; L272-L326 HydrophobicContact CD2-CG 3.77Å; F322-L326 PolarHBondContact O-N 2.59Å; M323-L326 HydrophobicContact CE-CB 4.28Å; M323-L326 PolarHBondContact O-N 2.86Å; M323-L326 VanDerWaalsContact O-N 3.11Å; L326-S328 PolarHBondContact O-N 3.19Å; L326-E329 PolarHBondContact O-N 3.02Å; L326-L357 HydrophobicContact CD2-CD1 3.95Å |
| 327 | R | 96.2 | Very high | 95.9 | Very high | 150 Ų | 150 | 60.1 Ų | 60.1 | 57% | 0.566 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.3 | -23.5 | 172.8 | -73.2 | 175.3 | -179.1 | 157.1 | -2.5 | 113.6 | M323 D324 T325 | M323-R327 HydrophobicContact CE-CG 3.71Å; M323-R327 WeakPolarHBondContact O-CG 3.43Å; M323-R327 PolarHBondContact O-N 3Å; D324-R327 IonicContact OD1-CZ 3.66Å; D324-R327 IonicContact OD1-NE 3.99Å; D324-R327 IonicContact OD1-NH1 2.7Å; D324-R327 PolarHBondContact OD1-NH1 3.45Å; T325-R327 VanDerWaalsContact C-N 3.32Å; T325-R327 PolarHBondContact O-N 2.61Å |
| 328 | S | 93.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1.2 | 174.4 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | T325 L326 R364 | T325-S328 PolarHBondContact O-N 2.95Å; T325-S328 VanDerWaalsContact O-N 3.17Å; T325-S328 PolarHBondContact O-OG 3Å; L326-S328 PolarHBondContact O-N 3.19Å; S328-R364 PolarHBondContact OG-NH2 3.07Å |
| 329 | E | 94.7 | Very high | 95.2 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -106.1 | 160.7 | 178.4 | -58.7 | -63.5 | 154.6 | 0 | 0 | 111.2 | L326 L357 K360 | L326-E329 PolarHBondContact O-N 3.02Å; E329-L357 HydrophobicContact CG-CD2 3.58Å; E329-K360 IonicContact OE1-NZ 2.61Å; E329-K360 PolarHBondContact OE1-NZ 2.87Å |
| 330 | P | 94.2 | Very high | 95 | Very high | 109 Ų | 109 | 69 Ų | 69 | 71% | 0.708 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -61 | 137 | 172.4 | -21.5 | 33.7 | 0 | 0 | 0 | 111.6 | ||
| 331 | K | 92.6 | Very high | 94.8 | Very high | 144 Ų | 144 | 75.1 Ų | 75.1 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 134 | 176.3 | -70.1 | -169.5 | 171.3 | -148.6 | 0 | 111.1 | Q265 Q333 | Q265-K331 VanDerWaalsContact OE1-NZ 3.12Å; K331-Q333 PolarHBondContact O-N 3.06Å; K331-Q333 PolarHBondContact O-NE2 3.15Å |
| 332 | P | 93.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 78.5 Ų | 78.5 | 21% | 0.208 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.8 | 177.8 | 27.2 | -34.3 | 0 | 0 | 0 | 109.9 | I264 Q265 Q268 | I264-P332 HydrophobicContact CD1-CB 4.41Å; I264-P332 HydrophobicContact CG1-CG 4.4Å; Q265-P332 HydrophobicContact CB-CG 4.37Å; Q265-P332 HydrophobicContact CG-CG 3.7Å; Q268-P332 HydrophobicContact CB-CG 4.49Å; Q268-P332 VanDerWaalsContact OE1-CD 3.26Å; Q268-P332 VanDerWaalsContact OE1-CG 3.3Å |
| 333 | Q | 94.1 | Very high | 94.1 | Very high | 150 Ų | 150 | 83 Ų | 83 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | trans | -106.5 | 145.6 | 177.7 | -59.8 | -58 | -52.5 | 0 | 0 | 109.2 | I264 K331 K335 | I264-Q333 VanDerWaalsContact CD1-C 3.5Å; K331-Q333 PolarHBondContact O-N 3.06Å; K331-Q333 PolarHBondContact O-NE2 3.15Å; Q333-K335 PolarHBondContact O-N 3.13Å | ||
| 334 | L | 94.1 | Very high | 93.9 | Very high | 52 Ų | 52 | 84.4 Ų | 84.4 | 27% | 0.272 | 43% | 0.429 | S | S | . | . | trans | -64.6 | 108.3 | 178.1 | -171.7 | 65.8 | 0 | 0 | 0 | 109.5 | Q260 I264 R345 H346 | Q260-L334 HydrophobicContact CB-CD1 4.33Å; Q260-L334 HydrophobicContact CB-CD2 4.14Å; I264-L334 HydrophobicContact CD1-CB 4.15Å; I264-L334 HydrophobicContact CD1-CD1 4.41Å; I264-L334 HydrophobicContact CG2-CD1 4.18Å; L334-R345 HydrophobicContact CD1-CB 3.91Å; L334-R345 HydrophobicContact CD2-CB 4.36Å; L334-R345 HydrophobicContact CG-CB 4.17Å; L334-H346 HydrophobicContact CD1-CB 4.33Å | ||
| 335 | K | 95.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 84.4 Ų | 84.4 | 32% | 0.317 | 43% | 0.425 | S | S | . | . | trans | -66.8 | 143.8 | 178.8 | -65.5 | -170.9 | -173.7 | 179 | 0 | 110 | E145 Q333 F337 T350 H351 | E145-K335 WeakPolarHBondContact OE1-CD 3.44Å; E145-K335 IonicContact OE1-NZ 3.19Å; E145-K335 PolarHBondContact OE1-NZ 3.16Å; E145-K335 IonicContact OE2-NZ 2.63Å; E145-K335 PolarHBondContact OE2-NZ 3.22Å; Q333-K335 PolarHBondContact O-N 3.13Å; K335-F337 HydrophobicContact CB-CD2 4.46Å; K335-F337 HydrophobicContact CB-CE1 4.38Å; K335-F337 HydrophobicContact CB-CE2 3.72Å; K335-F337 HydrophobicContact CB-CZ 3.7Å; K335-F337 HydrophobicContact CD-CZ 4.28Å; K335-T350 HydrophobicContact CD-CG2 3.8Å; K335-T350 HydrophobicContact CG-CG2 4.3Å; K335-H351 PolarHBondContact NZ-O 2.64Å | ||
| 336 | N | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 84.5 Ų | 84.5 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | trans | -93.7 | 120.7 | 174.8 | -175.9 | 29.1 | 0 | 0 | 0 | 110 | R345 | N336-R345 PolarHBondContact OD1-NE 2.81Å; N336-R345 PolarHBondContact OD1-NH2 3Å | ||
| 337 | F | 93.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 84.5 Ų | 84.5 | 6% | 0.057 | 43% | 0.425 | C | S | . | . | trans | -112.3 | 107.8 | 177.9 | -60.1 | -75.3 | 0 | 0 | 0 | 108.4 | E145 N148 K335 K339 V340 I348 T350 | E145-F337 HydrophobicContact CG-CE1 4.43Å; N148-F337 WeakPolarHBondContact OD1-CD1 3.31Å; K335-F337 HydrophobicContact CB-CD2 4.46Å; K335-F337 HydrophobicContact CB-CE1 4.38Å; K335-F337 HydrophobicContact CB-CE2 3.72Å; K335-F337 HydrophobicContact CB-CZ 3.7Å; K335-F337 HydrophobicContact CD-CZ 4.28Å; F337-K339 PolarHBondContact O-N 3.11Å; F337-V340 HydrophobicContact CB-CB 3.89Å; F337-V340 HydrophobicContact CB-CG2 3.72Å; F337-V340 PolarHBondContact O-N 3.33Å; F337-I348 HydrophobicContact CD1-CG2 4.14Å; F337-I348 HydrophobicContact CD2-CB 3.84Å; F337-I348 HydrophobicContact CD2-CG1 3.98Å; F337-I348 HydrophobicContact CD2-CG2 3.95Å; F337-I348 HydrophobicContact CE1-CG2 3.83Å; F337-I348 HydrophobicContact CE2-CB 3.57Å; F337-I348 HydrophobicContact CE2-CG1 4.23Å; F337-I348 HydrophobicContact CE2-CG2 3.65Å; F337-I348 HydrophobicContact CG-CB 4.49Å; F337-I348 HydrophobicContact CG-CG2 4.17Å; F337-I348 HydrophobicContact CZ-CB 4Å; F337-I348 HydrophobicContact CZ-CG2 3.56Å; F337-T350 HydrophobicContact CZ-CG2 4.15Å | ||
| 338 | P | 90.4 | Very high | 93.8 | Very high | 123 Ų | 123 | 77.4 Ų | 77.4 | 80% | 0.799 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.5 | -168.8 | -28.3 | 35.8 | 0 | 0 | 0 | 116 | ||
| 339 | K | 90.3 | Very high | 94.1 | Very high | 201 Ų | 201 | 74.1 Ų | 74.1 | 87% | 0.874 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -1.6 | 179.8 | -62.9 | -179.2 | -179.5 | 176.5 | 0 | 113.6 | F337 | F337-K339 PolarHBondContact O-N 3.11Š|
| 340 | V | 93.5 | Very high | 94.2 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 15% | 0.145 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -113.8 | 137.2 | -175 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | F337 D344 I348 | F337-V340 HydrophobicContact CB-CB 3.89Å; F337-V340 HydrophobicContact CB-CG2 3.72Å; F337-V340 PolarHBondContact O-N 3.33Å; V340-D344 HydrophobicContact CG1-CB 4Å; V340-I348 HydrophobicContact CB-CD1 4.49Å; V340-I348 HydrophobicContact CB-CG1 4.33Å; V340-I348 HydrophobicContact CG1-CD1 3.86Å; V340-I348 HydrophobicContact CG1-CG1 3.78Å; V340-I348 HydrophobicContact CG2-CD1 3.85Å; V340-I348 HydrophobicContact CG2-CG1 3.96Å |
| 341 | K | 93.6 | Very high | 94.4 | Very high | 154 Ų | 154 | 68.7 Ų | 68.7 | 67% | 0.67 | 34% | 0.342 | S | S | * | . | trans | -64.5 | 155 | 179.8 | -58.6 | 179.3 | -179.5 | 175.5 | 0 | 111.3 | D343 D344 R345 | K341-D343 VanDerWaalsContact C-N 3.33Å; K341-D343 WeakPolarHBondContact CB-OD1 3.27Å; K341-D343 PolarHBondContact O-N 3.24Å; K341-D344 PolarHBondContact O-N 3.03Å; K341-D344 VanDerWaalsContact O-N 3.16Å; K341-R345 WeakPolarHBondContact O-CG 3.24Å; K341-R345 PolarHBondContact O-N 2.63Å | ||
| 342 | T | 91.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 56% | 0.564 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -34.3 | -175.4 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | Q260 D344 | Q260-T342 PolarHBondContact NE2-O 3.02Å; T342-D344 VanDerWaalsContact C-N 3.29Å |
| 343 | D | 91.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 65.3 Ų | 65.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -24 | 176.3 | 50.1 | -12.6 | 0 | 0 | 0 | 112.7 | K341 H346 | K341-D343 VanDerWaalsContact C-N 3.33Å; K341-D343 WeakPolarHBondContact CB-OD1 3.27Å; K341-D343 PolarHBondContact O-N 3.24Å; D343-H346 PolarHBondContact O-CE1 2.96Å; D343-H346 PolarHBondContact O-ND1 2.91Å |
| 344 | D | 94 | Very high | 94.9 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -5.1 | -169.7 | -166.4 | 38.4 | 0 | 0 | 0 | 114.6 | H150 V340 K341 T342 H346 N347 | H150-D344 IonicContact NE2-OD2 3.84Å; V340-D344 HydrophobicContact CG1-CB 4Å; K341-D344 PolarHBondContact O-N 3.03Å; K341-D344 VanDerWaalsContact O-N 3.16Å; T342-D344 VanDerWaalsContact C-N 3.29Å; D344-H346 PolarHBondContact O-N 2.65Å; D344-H346 VanDerWaalsContact O-N 3.15Å; D344-N347 WeakPolarHBondContact O-CB 3.03Å; D344-N347 PolarHBondContact O-N 3.01Å; D344-N347 WeakPolarHBondContact OD1-CB 3.37Å; D344-N347 PolarHBondContact OD1-ND2 3.42Å |
| 345 | R | 95.6 | Very high | 95.1 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.5 | -34.7 | -176.4 | -62.8 | -177.7 | 179.9 | 157.2 | 0.2 | 113.7 | L334 N336 K341 N347 I348 | L334-R345 HydrophobicContact CD1-CB 3.91Å; L334-R345 HydrophobicContact CD2-CB 4.36Å; L334-R345 HydrophobicContact CG-CB 4.17Å; N336-R345 PolarHBondContact OD1-NE 2.81Å; N336-R345 PolarHBondContact OD1-NH2 3Å; K341-R345 WeakPolarHBondContact O-CG 3.24Å; K341-R345 PolarHBondContact O-N 2.63Å; R345-N347 PolarHBondContact O-N 3.3Å; R345-I348 PolarHBondContact O-N 3.46Å |
| 346 | H | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -64.3 | -14.4 | 175.1 | 70.5 | -84.3 | 0 | 0 | 0 | 114 | R151 F258 Q260 Y263 I264 L334 D343 D344 | R151-H346 PolarHBondContact NH1-O 2.83Å; F258-H346 AromaticContact CE2-CD2 3.76Å; F258-H346 AromaticContact CE2-NE2 3.7Å; F258-H346 AromaticContact CZ-NE2 3.63Å; Q260-H346 HydrophobicContact CB-CB 3.84Å; Q260-H346 HydrophobicContact CG-CB 3.84Å; Q260-H346 VanDerWaalsContact OE1-N 3.09Å; Q260-H346 PolarHBondContact OE1-ND1 3.45Å; Y263-H346 HydrophobicContact CD1-CB 4.04Å; Y263-H346 AromaticContact CD1-CD2 3.61Å; Y263-H346 AromaticContact CE1-CD2 3.7Å; Y263-H346 WeakPolarHBondContact CE1-O 3.46Å; I264-H346 HydrophobicContact CG2-CB 4.22Å; L334-H346 HydrophobicContact CD1-CB 4.33Å; D343-H346 PolarHBondContact O-CE1 2.96Å; D343-H346 PolarHBondContact O-ND1 2.91Å; D344-H346 PolarHBondContact O-N 2.65Å; D344-H346 VanDerWaalsContact O-N 3.15Å |
| 347 | N | 97.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -91.1 | -12.7 | 176.5 | -64.9 | -48.6 | 0 | 0 | 0 | 113.6 | H150 R151 K239 D344 R345 | H150-N347 CarbonylContact C-O 3.56Å; H150-N347 VanDerWaalsContact CA-O 3.31Å; H150-N347 WeakPolarHBondContact CA-O 3.35Å; R151-N347 WeakPolarHBondContact CG-O 3.46Å; R151-N347 PolarHBondContact N-O 3.35Å; K239-N347 VanDerWaalsContact CE-OD1 3.28Å; K239-N347 WeakPolarHBondContact CE-OD1 3.22Å; K239-N347 VanDerWaalsContact NZ-CG 3.34Å; K239-N347 PolarHBondContact NZ-ND2 2.83Å; K239-N347 PolarHBondContact NZ-OD1 3.16Å; D344-N347 WeakPolarHBondContact O-CB 3.03Å; D344-N347 PolarHBondContact O-N 3.01Å; D344-N347 WeakPolarHBondContact OD1-CB 3.37Å; D344-N347 PolarHBondContact OD1-ND2 3.42Å; R345-N347 PolarHBondContact O-N 3.3Å |
| 348 | I | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 125.4 | -178 | -52.9 | -58.5 | 0 | 0 | 0 | 111.1 | N148 R151 F337 V340 R345 | N148-I348 HydrophobicContact CB-CG2 4.04Å; R151-I348 PolarHBondContact NH1-O 3.27Å; F337-I348 HydrophobicContact CD1-CG2 4.14Å; F337-I348 HydrophobicContact CD2-CB 3.84Å; F337-I348 HydrophobicContact CD2-CG1 3.98Å; F337-I348 HydrophobicContact CD2-CG2 3.95Å; F337-I348 HydrophobicContact CE1-CG2 3.83Å; F337-I348 HydrophobicContact CE2-CB 3.57Å; F337-I348 HydrophobicContact CE2-CG1 4.23Å; F337-I348 HydrophobicContact CE2-CG2 3.65Å; F337-I348 HydrophobicContact CG-CB 4.49Å; F337-I348 HydrophobicContact CG-CG2 4.17Å; F337-I348 HydrophobicContact CZ-CB 4Å; F337-I348 HydrophobicContact CZ-CG2 3.56Å; V340-I348 HydrophobicContact CB-CD1 4.49Å; V340-I348 HydrophobicContact CB-CG1 4.33Å; V340-I348 HydrophobicContact CG1-CD1 3.86Å; V340-I348 HydrophobicContact CG1-CG1 3.78Å; V340-I348 HydrophobicContact CG2-CD1 3.85Å; V340-I348 HydrophobicContact CG2-CG1 3.96Å; R345-I348 PolarHBondContact O-N 3.46Å |
| 349 | Q | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -57.4 | 142.2 | -177.4 | -173.4 | 56.6 | 56.1 | 0 | 0 | 111.4 | L141 E145 L149 R151 A154 D271 | L141-Q349 HydrophobicContact CB-CG 4.42Å; L141-Q349 HydrophobicContact CD2-CG 3.99Å; E145-Q349 WeakPolarHBondContact CA-O 3.33Å; L149-Q349 PolarHBondContact O-N 3.49Å; R151-Q349 HydrophobicContact CG-CB 4.42Å; A154-Q349 HydrophobicContact CB-CB 4.5Å; A154-Q349 HydrophobicContact CB-CG 4.02Å; D271-Q349 PolarHBondContact OD2-NE2 3.14Å | ||
| 350 | T | 97.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | trans | -128 | 150.7 | 177 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | E145 R151 K335 F337 | E145-T350 VanDerWaalsContact OE2-CA 3.28Å; E145-T350 WeakPolarHBondContact OE2-CA 3.18Å; R151-T350 PolarHBondContact NH2-OG1 3.1Å; K335-T350 HydrophobicContact CD-CG2 3.8Å; K335-T350 HydrophobicContact CG-CG2 4.3Å; F337-T350 HydrophobicContact CZ-CG2 4.15Å | ||
| 351 | H | 97.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | trans | -115.4 | 146.5 | 174.9 | -173.1 | -99.5 | 0 | 0 | 0 | 111.3 | D138 E142 E145 K335 | D138-H351 PolarHBondContact O-CD2 3.13Å; D138-H351 VanDerWaalsContact O-CD2 3.32Å; D138-H351 PolarHBondContact O-NE2 2.88Å; D138-H351 IonicContact OD1-CD2 3.82Å; D138-H351 IonicContact OD1-CE1 2.83Å; D138-H351 IonicContact OD1-NE2 3.63Å; D138-H351 PolarHBondContact OD1-NE2 2.71Å; D138-H351 IonicContact OD2-NE2 2.69Å; E142-H351 HydrophobicContact CB-CB 4.38Å; E145-H351 PolarHBondContact OE2-N 3.37Å; K335-H351 PolarHBondContact NZ-O 2.64Å | ||
| 352 | V | 96.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 44 Ų | 44 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | trans | -142.6 | 179.7 | 166.2 | -64.6 | 0 | 0 | 0 | 0 | 106.9 | Y354 L357 | V352-Y354 HydrophobicContact CG2-CD1 3.69Å; V352-Y354 HydrophobicContact CG2-CD2 4.08Å; V352-Y354 HydrophobicContact CG2-CE1 3.48Å; V352-Y354 VanDerWaalsContact CG2-CE1 3.48Å; V352-Y354 HydrophobicContact CG2-CE2 3.93Å; V352-Y354 HydrophobicContact CG2-CG 3.98Å; V352-Y354 PolarHBondContact O-N 3.39Å; V352-L357 HydrophobicContact CG2-CD1 3.93Å | ||
| 353 | A | 96.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | trans | -70 | 61.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L355 D356 L357 | A353-L355 VanDerWaalsContact C-N 3.26Å; A353-L355 PolarHBondContact O-N 3.24Å; A353-D356 HydrophobicContact CB-CB 4.36Å; A353-D356 PolarHBondContact O-N 3.44Å; A353-D356 VanDerWaalsContact O-N 3.08Å; A353-L357 WeakPolarHBondContact O-CG 3.2Å; A353-L357 PolarHBondContact O-N 3.14Å; A353-L357 VanDerWaalsContact O-N 3.17Å | ||
| 354 | Y | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -30.9 | -173 | -72.4 | -62.5 | 0 | 0 | 0 | 112.7 | L141 Q268 D271 L272 V352 D356 L357 L358 | L141-Y354 HydrophobicContact CD1-CD2 3.96Å; L141-Y354 HydrophobicContact CD1-CE2 3.66Å; Q268-Y354 HydrophobicContact CG-CE1 3.95Å; D271-Y354 HydrophobicContact CB-CE1 3.81Å; D271-Y354 HydrophobicContact CB-CE2 3.99Å; D271-Y354 VanDerWaalsContact CB-CZ 3.42Å; D271-Y354 VanDerWaalsContact CB-OH 3.25Å; D271-Y354 WeakPolarHBondContact CB-OH 3.18Å; D271-Y354 PolarHBondContact OD2-OH 2.64Å; L272-Y354 HydrophobicContact CB-CD1 4.04Å; L272-Y354 HydrophobicContact CB-CE1 4.24Å; L272-Y354 HydrophobicContact CD1-CD1 4.36Å; V352-Y354 HydrophobicContact CG2-CD1 3.69Å; V352-Y354 HydrophobicContact CG2-CD2 4.08Å; V352-Y354 HydrophobicContact CG2-CE1 3.48Å; V352-Y354 VanDerWaalsContact CG2-CE1 3.48Å; V352-Y354 HydrophobicContact CG2-CE2 3.93Å; V352-Y354 HydrophobicContact CG2-CG 3.98Å; V352-Y354 PolarHBondContact O-N 3.39Å; Y354-D356 PolarHBondContact O-N 2.92Å; Y354-L357 HydrophobicContact CD1-CD1 4.15Å; Y354-L357 PolarHBondContact O-N 2.84Å; Y354-L358 WeakPolarHBondContact O-CB 3.43Å; Y354-L358 PolarHBondContact O-N 2.8Å |
| 355 | L | 98.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.288 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.4 | -36.1 | 174.3 | -64.9 | 177 | 0 | 0 | 0 | 113.7 | A134 I135 D138 A353 K359 | A134-L355 HydrophobicContact CB-CD2 4.12Å; I135-L355 HydrophobicContact CG1-CD1 4Å; I135-L355 HydrophobicContact CG1-CD2 4.2Å; D138-L355 HydrophobicContact CB-CD1 4.2Å; D138-L355 HydrophobicContact CB-CD2 4.01Å; D138-L355 HydrophobicContact CB-CG 3.84Å; D138-L355 WeakPolarHBondContact OD2-CD1 3.34Å; A353-L355 VanDerWaalsContact C-N 3.26Å; A353-L355 PolarHBondContact O-N 3.24Å; L355-K359 PolarHBondContact O-N 2.85Å; L355-K359 VanDerWaalsContact O-N 3.14Å |
| 356 | D | 97.8 | Very high | 95.9 | Very high | 104 Ų | 104 | 46 Ų | 46 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -74.4 | -37.1 | 176 | -74 | -32.4 | 0 | 0 | 0 | 111 | A353 Y354 K359 K360 | A353-D356 HydrophobicContact CB-CB 4.36Å; A353-D356 PolarHBondContact O-N 3.44Å; A353-D356 VanDerWaalsContact O-N 3.08Å; Y354-D356 PolarHBondContact O-N 2.92Å; D356-K359 PolarHBondContact O-N 3.3Å; D356-K360 WeakPolarHBondContact O-CG 3.39Å; D356-K360 PolarHBondContact O-N 3.48Å; D356-K360 VanDerWaalsContact O-N 3.1Å |
| 357 | L | 98.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 173.6 | -61.2 | 176.5 | 0 | 0 | 0 | 111.7 | L272 T325 L326 E329 V352 A353 Y354 K359 K360 A361 | L272-L357 HydrophobicContact CD1-CB 3.67Å; L272-L357 HydrophobicContact CD2-CB 4.13Å; T325-L357 HydrophobicContact CG2-CB 4.44Å; T325-L357 HydrophobicContact CG2-CD2 4.19Å; L326-L357 HydrophobicContact CD2-CD1 3.95Å; E329-L357 HydrophobicContact CG-CD2 3.58Å; V352-L357 HydrophobicContact CG2-CD1 3.93Å; A353-L357 WeakPolarHBondContact O-CG 3.2Å; A353-L357 PolarHBondContact O-N 3.14Å; A353-L357 VanDerWaalsContact O-N 3.17Å; Y354-L357 HydrophobicContact CD1-CD1 4.15Å; Y354-L357 PolarHBondContact O-N 2.84Å; L357-K359 VanDerWaalsContact C-N 3.32Å; L357-K359 PolarHBondContact O-N 2.7Å; L357-K360 HydrophobicContact CD2-CD 4.45Å; L357-K360 WeakPolarHBondContact O-CB 3.2Å; L357-K360 PolarHBondContact O-N 2.91Å; L357-A361 WeakPolarHBondContact O-CB 3.36Å; L357-A361 PolarHBondContact O-N 3.1Å |
| 358 | L | 98 | Very high | 93.5 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.5 | 176.3 | 63.4 | 0 | 0 | 0 | 110.5 | A134 L272 M275 D276 F322 Y354 K360 A361 Q362 | A134-L358 HydrophobicContact CB-CD2 3.73Å; L272-L358 HydrophobicContact CD1-CB 4.11Å; M275-L358 HydrophobicContact CB-CD1 4.44Å; M275-L358 HydrophobicContact CB-CD2 3.92Å; D276-L358 HydrophobicContact CB-CD1 3.95Å; F322-L358 HydrophobicContact CE1-CD1 3.82Å; Y354-L358 WeakPolarHBondContact O-CB 3.43Å; Y354-L358 PolarHBondContact O-N 2.8Å; L358-K360 PolarHBondContact O-N 3.24Å; L358-A361 PolarHBondContact O-N 3.3Å; L358-Q362 HydrophobicContact CD1-CG 4.18Å; L358-Q362 WeakPolarHBondContact O-CB 3.46Å; L358-Q362 WeakPolarHBondContact O-CG 3.28Å; L358-Q362 PolarHBondContact O-N 3.42Å |
| 359 | K | 97.4 | Very high | 91.3 | Very high | 117 Ų | 117 | 58.2 Ų | 58.2 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 175.9 | -172.2 | -176.3 | 178.7 | -98.1 | 0 | 111.6 | L355 D356 L357 A361 Q362 E363 | L355-K359 PolarHBondContact O-N 2.85Å; L355-K359 VanDerWaalsContact O-N 3.14Å; D356-K359 PolarHBondContact O-N 3.3Å; L357-K359 VanDerWaalsContact C-N 3.32Å; L357-K359 PolarHBondContact O-N 2.7Å; K359-A361 VanDerWaalsContact C-N 3.32Å; K359-A361 PolarHBondContact O-N 3.37Å; K359-Q362 PolarHBondContact O-N 3.45Å; K359-E363 WeakPolarHBondContact CE-OE1 3.36Å; K359-E363 IonicContact NZ-OE1 2.61Å; K359-E363 PolarHBondContact NZ-OE1 3.17Å; K359-E363 WeakPolarHBondContact O-CB 3.48Å; K359-E363 VanDerWaalsContact O-CG 3.3Å; K359-E363 WeakPolarHBondContact O-CG 3.44Å; K359-E363 PolarHBondContact O-N 3.49Å |
| 360 | K | 97.1 | Very high | 88.8 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.9 | -71.7 | 168 | 179.2 | 172.7 | 0 | 112 | T325 E329 D356 L357 L358 R364 | T325-K360 HydrophobicContact CG2-CB 3.62Å; T325-K360 HydrophobicContact CG2-CD 4.05Å; E329-K360 IonicContact OE1-NZ 2.61Å; E329-K360 PolarHBondContact OE1-NZ 2.87Å; D356-K360 WeakPolarHBondContact O-CG 3.39Å; D356-K360 PolarHBondContact O-N 3.48Å; D356-K360 VanDerWaalsContact O-N 3.1Å; L357-K360 HydrophobicContact CD2-CD 4.45Å; L357-K360 WeakPolarHBondContact O-CB 3.2Å; L357-K360 PolarHBondContact O-N 2.91Å; L358-K360 PolarHBondContact O-N 3.24Å; K360-R364 WeakPolarHBondContact O-CG 3.43Å; K360-R364 PolarHBondContact O-N 2.9Å; K360-R364 VanDerWaalsContact O-N 3.13Å |
| 361 | A | 96.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.1 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F322 T325 L357 L358 K359 R364 Q365 | F322-A361 HydrophobicContact CB-CB 4.32Å; F322-A361 HydrophobicContact CD1-CB 3.45Å; F322-A361 VanDerWaalsContact CD1-CB 3.45Å; F322-A361 HydrophobicContact CE1-CB 4Å; F322-A361 HydrophobicContact CG-CB 3.93Å; T325-A361 WeakPolarHBondContact OG1-CA 3.48Å; T325-A361 PolarHBondContact OG1-N 3.22Å; L357-A361 WeakPolarHBondContact O-CB 3.36Å; L357-A361 PolarHBondContact O-N 3.1Å; L358-A361 PolarHBondContact O-N 3.3Å; K359-A361 VanDerWaalsContact C-N 3.32Å; K359-A361 PolarHBondContact O-N 3.37Å; A361-R364 WeakPolarHBondContact O-CB 3.23Å; A361-R364 PolarHBondContact O-N 3.04Å; A361-R364 VanDerWaalsContact O-N 3.16Å; A361-Q365 PolarHBondContact O-N 3.38Å |
| 362 | Q | 95 | Very high | 83.4 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 175.6 | -71.5 | 174 | -17.6 | 0 | 0 | 112 | D276 L358 K359 R364 Q365 I366 | D276-Q362 PolarHBondContact OD2-NE2 3.26Å; L358-Q362 HydrophobicContact CD1-CG 4.18Å; L358-Q362 WeakPolarHBondContact O-CB 3.46Å; L358-Q362 WeakPolarHBondContact O-CG 3.28Å; L358-Q362 PolarHBondContact O-N 3.42Å; K359-Q362 PolarHBondContact O-N 3.45Å; Q362-R364 VanDerWaalsContact C-N 3.27Å; Q362-R364 PolarHBondContact O-N 3.33Å; Q362-Q365 PolarHBondContact O-N 2.99Å; Q362-I366 WeakPolarHBondContact O-CG1 3.36Å; Q362-I366 PolarHBondContact O-N 2.96Å; Q362-I366 VanDerWaalsContact O-N 3.13Å |
| 363 | E | 94.6 | Very high | 80.5 | Confident | 84 Ų | 84 | 77.4 Ų | 77.4 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 171.2 | -75 | 170.2 | 179.6 | 0 | 0 | 111.8 | K359 N367 | K359-E363 WeakPolarHBondContact CE-OE1 3.36Å; K359-E363 IonicContact NZ-OE1 2.61Å; K359-E363 PolarHBondContact NZ-OE1 3.17Å; K359-E363 WeakPolarHBondContact O-CB 3.48Å; K359-E363 VanDerWaalsContact O-CG 3.3Å; K359-E363 WeakPolarHBondContact O-CG 3.44Å; K359-E363 PolarHBondContact O-N 3.49Å; E363-N367 PolarHBondContact O-N 3.44Å; E363-N367 PolarHBondContact O-ND2 3.17Å |
| 364 | R | 93.2 | Very high | 77.5 | Confident | 94 Ų | 94 | 79.5 Ų | 79.5 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72 | -35.2 | 174.6 | -69.5 | 176.4 | -165.1 | -155.1 | 13 | 113.3 | P321 D324 T325 S328 K360 A361 Q362 N367 S368 | P321-R364 HydrophobicContact CB-CB 3.98Å; D324-R364 PolarHBondContact O-NH1 3.24Å; T325-R364 PolarHBondContact OG1-NE 2.7Å; S328-R364 PolarHBondContact OG-NH2 3.07Å; K360-R364 WeakPolarHBondContact O-CG 3.43Å; K360-R364 PolarHBondContact O-N 2.9Å; K360-R364 VanDerWaalsContact O-N 3.13Å; A361-R364 WeakPolarHBondContact O-CB 3.23Å; A361-R364 PolarHBondContact O-N 3.04Å; A361-R364 VanDerWaalsContact O-N 3.16Å; Q362-R364 VanDerWaalsContact C-N 3.27Å; Q362-R364 PolarHBondContact O-N 3.33Å; R364-N367 PolarHBondContact O-N 2.96Å; R364-S368 PolarHBondContact O-N 2.92Å |
| 365 | Q | 88.6 | Confident | 74.6 | Confident | 41 Ų | 41 | 85.5 Ų | 85.5 | 19% | 0.192 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.8 | -77.6 | 173.9 | -19.5 | 0 | 0 | 111.5 | P321 A361 Q362 N367 S368 | P321-Q365 HydrophobicContact CB-CG 3.84Å; P321-Q365 HydrophobicContact CG-CG 3.72Å; A361-Q365 PolarHBondContact O-N 3.38Å; Q362-Q365 PolarHBondContact O-N 2.99Å; Q365-N367 VanDerWaalsContact C-N 3.31Å; Q365-N367 PolarHBondContact O-N 3.05Å; Q365-S368 VanDerWaalsContact O-CB 3.26Å; Q365-S368 WeakPolarHBondContact O-CB 3.35Å; Q365-S368 PolarHBondContact O-N 3.17Å; Q365-S368 VanDerWaalsContact O-N 3.15Å |
| 366 | I | 83.7 | Confident | 71.6 | Confident | 118 Ų | 118 | 89.3 Ų | 89.3 | 61% | 0.605 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | -179.9 | -64.8 | 164.8 | 0 | 0 | 0 | 111.7 | Q362 S368 | Q362-I366 WeakPolarHBondContact O-CG1 3.36Å; Q362-I366 PolarHBondContact O-N 2.96Å; Q362-I366 VanDerWaalsContact O-N 3.13Å; I366-S368 VanDerWaalsContact C-N 3.26Å; I366-S368 PolarHBondContact O-N 2.94Å |
| 367 | N | 72.6 | Confident | 68.5 | Low | 116 Ų | 116 | 88.7 Ų | 88.7 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.6 | 179.8 | -71.1 | -51 | 0 | 0 | 0 | 113.9 | E363 R364 Q365 | E363-N367 PolarHBondContact O-N 3.44Å; E363-N367 PolarHBondContact O-ND2 3.17Å; R364-N367 PolarHBondContact O-N 2.96Å; Q365-N367 VanDerWaalsContact C-N 3.31Å; Q365-N367 PolarHBondContact O-N 3.05Å |
| 368 | S | 69.9 | Low | 65.5 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 34% | 0.343 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -69.6 | 133.7 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | R364 Q365 I366 C370 C371 | R364-S368 PolarHBondContact O-N 2.92Å; Q365-S368 VanDerWaalsContact O-CB 3.26Å; Q365-S368 WeakPolarHBondContact O-CB 3.35Å; Q365-S368 PolarHBondContact O-N 3.17Å; Q365-S368 VanDerWaalsContact O-N 3.15Å; I366-S368 VanDerWaalsContact C-N 3.26Å; I366-S368 PolarHBondContact O-N 2.94Å; S368-C370 PolarHBondContact O-N 3.33Å; S368-C371 PolarHBondContact O-N 3.3Å |
| 369 | P | 53.3 | Low | 62.4 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 71% | 0.708 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -15.6 | -175.4 | 21.9 | -32.7 | 0 | 0 | 0 | 114.4 | C371 Q372 | P369-C371 VanDerWaalsContact C-N 3.32Å; P369-C371 PolarHBondContact O-N 3.19Å; P369-Q372 PolarHBondContact O-N 2.71Å |
| 370 | C | 45.4 | Very low | 59.4 | Low | 110 Ų | 110 | 102.8 Ų | 102.8 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -27.6 | 173.3 | -163.7 | 0 | 0 | 0 | 0 | 113.3 | S368 | S368-C370 PolarHBondContact O-N 3.33Š|
| 371 | C | 41.4 | Very low | 56.6 | Low | 87 Ų | 87 | 106.4 Ų | 106.4 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.1 | 175.7 | -74.4 | 0 | 0 | 0 | 0 | 113.5 | S368 P369 Q373 | S368-C371 PolarHBondContact O-N 3.3Å; P369-C371 VanDerWaalsContact C-N 3.32Å; P369-C371 PolarHBondContact O-N 3.19Å; C371-Q373 PolarHBondContact O-N 3.46Å |
| 372 | Q | 39 | Very low | 53.8 | Low | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | trans | -83.5 | 61.6 | 174.8 | -64.9 | -170.5 | 5.7 | 0 | 0 | 111.4 | P369 S374 | P369-Q372 PolarHBondContact O-N 2.71Å; Q372-S374 PolarHBondContact O-N 3.31Å | ||
| 373 | Q | 37.3 | Very low | 51.3 | Low | 179 Ų | 179 | 116.3 Ų | 116.3 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | trans | -67.3 | 102.2 | 156.4 | -71.5 | -169.8 | 1.4 | 0 | 0 | 107.5 | C371 | C371-Q373 PolarHBondContact O-N 3.46Š| ||
| 374 | S | 32 | Very low | 48.5 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | -44.6 | 136.2 | 172.9 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | Q372 V376 | Q372-S374 PolarHBondContact O-N 3.31Å; S374-V376 PolarHBondContact O-N 3.49Å | ||
| 375 | P | 37.1 | Very low | 45.7 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | -56.6 | 118.5 | 176.3 | 23.9 | -32.8 | 0 | 0 | 0 | 108.3 | A377 | P375-A377 PolarHBondContact O-N 3.43Š| ||
| 376 | V | 35.8 | Very low | 43.3 | Very low | 136 Ų | 136 | 123 Ų | 123 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | -53.2 | 117.6 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 106.8 | S374 M378 | S374-V376 PolarHBondContact O-N 3.49Å; V376-M378 PolarHBondContact O-N 2.97Å | ||
| 377 | A | 33.4 | Very low | 41.1 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | -60.5 | 104.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108 | P375 G379 | P375-A377 PolarHBondContact O-N 3.43Å; A377-G379 PolarHBondContact O-N 3.15Å | ||
| 378 | M | 33.3 | Very low | 39.5 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 117.2 | 173 | -91.4 | -81.4 | -80.4 | 0 | 0 | 107.6 | V376 K380 | V376-M378 PolarHBondContact O-N 2.97Å; M378-K380 PolarHBondContact O-N 3.41Å |
| 379 | G | 34.7 | Very low | 38 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 140.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A377 I381 | A377-G379 PolarHBondContact O-N 3.15Å; G379-I381 PolarHBondContact O-N 3.32Å |
| 380 | K | 34.4 | Very low | 37.3 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 117.3 | 174.1 | -70.6 | 177.2 | 176.7 | 177.6 | 0 | 109 | M378 L382 | M378-K380 PolarHBondContact O-N 3.41Å; K380-L382 PolarHBondContact O-N 2.85Å |
| 381 | I | 37.6 | Very low | 36.9 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 104.1 | 169 | -66.5 | 172 | 0 | 0 | 0 | 106.3 | G379 T383 | G379-I381 PolarHBondContact O-N 3.32Å; I381-T383 PolarHBondContact O-N 3.25Å; I381-T383 VanDerWaalsContact O-N 3.11Å | ||
| 382 | L | 37.1 | Very low | 36.7 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -73.5 | 99.1 | 173 | -71.7 | 170.5 | 0 | 0 | 0 | 107.5 | K380 | K380-L382 PolarHBondContact O-N 2.85Š| ||
| 383 | T | 42.3 | Very low | 36.4 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.8 | 167.8 | 41.9 | 0 | 0 | 0 | 0 | 109.8 | I381 | I381-T383 PolarHBondContact O-N 3.25Å; I381-T383 VanDerWaalsContact O-N 3.11Å |
| 384 | P | 36.5 | Very low | 37.3 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 148 | 175.9 | 28.7 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 385 | P | 34.8 | Very low | 37.5 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 148.2 | -179.1 | 29.4 | -34.6 | 0 | 0 | 0 | 112.3 | S387 | P385-S387 PolarHBondContact O-N 2.7Š|
| 386 | S | 37.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -77.2 | 110.2 | 178.1 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 387 | S | 38.2 | Very low | 37.6 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -92.7 | 108.4 | 170.3 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | P385 | P385-S387 PolarHBondContact O-N 2.7Š| ||
| 388 | T | 37.8 | Very low | 37.9 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | 179.6 | 86.7 | 141.5 | 19.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 389 | E | 39.8 | Very low | 38.2 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 95% | 0.949 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96 | 130.2 | 149.4 | -75.8 | -168.4 | 146.4 | 0 | 0 | 108.2 | ||
| 390 | K | 38.2 | Very low | 38.4 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 146 | 172.8 | -88.2 | -178.8 | 174 | 177.1 | 0 | 109.6 | ||
| 391 | S | 36.7 | Very low | 38.7 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 141.6 | 175.2 | 43.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 392 | T | 36.2 | Very low | 38.8 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 87% | 0.865 | 85% | 0.846 | S | S | * | * | trans | -124.5 | 125 | 151.1 | 31 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 393 | N | 33.8 | Very low | 38.9 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | trans | -75 | 169.4 | -179.5 | -90.6 | 30.8 | 0 | 0 | 0 | 112.1 | ||||
| 394 | P | 55.3 | Low | 38.6 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 100% | 1.253 | 86% | 0.856 | S | S | * | * | -105 | 0 | 95.3 | -16.5 | 33.2 | 0 | 0 | 0 | 114.7 |
Retrieved 394 of 394 residues in 101.2 ms
(Link to these results)