| 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 | 42.1 | Very low | 47 | Very low | 241 Ų | 241 | 163.2 Ų | 163.2 | 100% | 1.187 | 85% | 0.851 | S | S | * | * | 0 | 85.9 | 0 | -66.4 | -179.8 | 172.6 | 0 | 0 | 106.2 | |||||
| 2 | A | 44.5 | Very low | 46.5 | Very low | 94 Ų | 94 | 165.8 Ų | 165.8 | 78% | 0.777 | 85% | 0.851 | S | S | * | * | 80.6 | 133.8 | 78 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 3 | L | 51.1 | Low | 46.2 | Very low | 160 Ų | 160 | 166 Ų | 166 | 84% | 0.838 | 85% | 0.853 | S | S | * | * | trans | 97.1 | 94.3 | 173.1 | -57.5 | 162.2 | 0 | 0 | 0 | 114.6 | ||||
| 4 | N | 52.1 | Low | 45.9 | Very low | 134 Ų | 134 | 163.6 Ų | 163.6 | 72% | 0.717 | 86% | 0.857 | S | S | * | * | 89.9 | 106.5 | 56.7 | -74.3 | -9.5 | 0 | 0 | 0 | 114.4 | |||||
| 5 | H | 47.2 | Very low | 45.3 | Very low | 176 Ų | 176 | 167.9 Ų | 167.9 | 82% | 0.815 | 86% | 0.857 | S | S | * | * | trans | 67.1 | 92.5 | 136.5 | -71.5 | -76.9 | 0 | 0 | 0 | 120.4 | ||||
| 6 | L | 52.5 | Low | 45.2 | Very low | 168 Ų | 168 | 163.4 Ų | 163.4 | 88% | 0.88 | 85% | 0.846 | S | S | * | * | trans | -75.1 | 142.8 | 154.6 | -78 | 159.3 | 0 | 0 | 0 | 111.5 | ||||
| 7 | N | 45.2 | Very low | 44.9 | Very low | 151 Ų | 151 | 163.9 Ų | 163.9 | 81% | 0.807 | 85% | 0.849 | S | S | * | * | trans | -39.2 | 131.4 | -179.7 | -67.1 | -51.2 | 0 | 0 | 0 | 116.9 | L9 | N7-L9 PolarHBondContact O-N 3.18Š| ||
| 8 | L | 45.1 | Very low | 44.7 | Very low | 159 Ų | 159 | 160.3 Ų | 160.3 | 83% | 0.832 | 85% | 0.847 | S | S | * | * | trans | -66.9 | 119.3 | 160.9 | -86.1 | 102.1 | 0 | 0 | 0 | 110.4 | ||||
| 9 | L | 45.1 | Very low | 44.4 | Very low | 168 Ų | 168 | 164.4 Ų | 164.4 | 88% | 0.88 | 85% | 0.85 | S | S | * | * | trans | -116 | 117.1 | 155.9 | -77.7 | 168.9 | 0 | 0 | 0 | 108.3 | N7 | N7-L9 PolarHBondContact O-N 3.18Š| ||
| 10 | R | 47.2 | Very low | 44.2 | Very low | 223 Ų | 223 | 162.4 Ų | 162.4 | 84% | 0.842 | 85% | 0.848 | S | S | * | * | trans | -127.2 | 125.1 | 163.5 | -83.4 | -174.1 | 175.6 | -179.8 | -0.4 | 108 | ||||
| 11 | P | 44.6 | Very low | 44.2 | Very low | 121 Ų | 121 | 159.5 Ų | 159.5 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | trans | -112.5 | 104.2 | 153.2 | 32.1 | -18.3 | 0 | 0 | 0 | 108.1 | ||||
| 12 | F | 41.5 | Very low | 43.9 | Very low | 194 Ų | 194 | 159.9 Ų | 159.9 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -137.9 | 113.8 | 161.1 | -95.9 | -80.9 | 0 | 0 | 0 | 106.6 | ||||
| 13 | L | 43 | Very low | 44.1 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | trans | 177.1 | 78.6 | 135.4 | -90.6 | 162 | 0 | 0 | 0 | 108.2 | ||||
| 14 | C | 41.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 90% | 0.899 | 83% | 0.828 | S | S | * | * | trans | -81.9 | 108.7 | 150.8 | -105.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 15 | R | 37.3 | Very low | 43.1 | Very low | 227 Ų | 227 | 159.7 Ų | 159.7 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | trans | -157.7 | 113.5 | 155 | -123.7 | -179.2 | -178.9 | -153.4 | -0.5 | 110.7 | ||||
| 16 | S | 42.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 157.4 Ų | 157.4 | 68% | 0.678 | 83% | 0.834 | S | S | * | * | trans | 40.2 | 119.9 | 139.9 | 65 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 17 | L | 41.3 | Very low | 42.1 | Very low | 172 Ų | 172 | 156 Ų | 156 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | -162.2 | 102.5 | 114.5 | -96.2 | 166.8 | 0 | 0 | 0 | 107.8 | |||||
| 18 | A | 41.3 | Very low | 41.8 | Very low | 99 Ų | 99 | 153.9 Ų | 153.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 129.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 19 | R | 39.1 | Very low | 41.9 | Very low | 238 Ų | 238 | 151.1 Ų | 151.1 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 133.3 | 170.2 | -76.9 | 176 | 166.9 | -177.9 | -4 | 109.4 | A21 | R19-A21 PolarHBondContact O-N 2.61Š|
| 20 | P | 40.3 | Very low | 41.3 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.6 | 166.8 | 26.7 | -30 | 0 | 0 | 0 | 109.4 | R22 | P20-R22 PolarHBondContact O-N 3.17Š|
| 21 | A | 43.3 | Very low | 41.4 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R19 | R19-A21 PolarHBondContact O-N 2.61Š|
| 22 | R | 36.5 | Very low | 41 | Very low | 249 Ų | 249 | 146.8 Ų | 146.8 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 123 | 164.6 | -103.5 | -178 | 175.4 | -172.3 | -1.4 | 108.1 | P20 | P20-R22 PolarHBondContact O-N 3.17Š|
| 23 | S | 47.5 | Very low | 40.7 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 151 | 173.1 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 24 | P | 43.2 | Very low | 41.1 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.8 | 166.9 | 30.2 | -29.8 | 0 | 0 | 0 | 109.1 | T26 | P24-T26 PolarHBondContact O-N 3.35Å; P24-T26 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 40.2 | Very low | 41.4 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -68 | 110.3 | 170.4 | -73.5 | 166.4 | 0 | 0 | 0 | 108.8 | V27 | L25-V27 PolarHBondContact O-N 3.29Š| ||
| 26 | T | 39.9 | Very low | 42.1 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -64.9 | 113.3 | 165.1 | 0.6 | 0 | 0 | 0 | 0 | 108.9 | P24 T28 | P24-T26 PolarHBondContact O-N 3.35Å; P24-T26 VanDerWaalsContact O-N 3.16Å; T26-T28 PolarHBondContact O-N 2.94Å | ||
| 27 | V | 38.2 | Very low | 42.5 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -77.3 | 103.3 | 163.3 | 171.7 | 0 | 0 | 0 | 0 | 106.8 | L25 S29 | L25-V27 PolarHBondContact O-N 3.29Å; V27-S29 PolarHBondContact O-N 2.91Å | ||
| 28 | T | 40.2 | Very low | 42.2 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | trans | -67.4 | 110.9 | 171.3 | 33.2 | 0 | 0 | 0 | 0 | 109.4 | T26 W30 | T26-T28 PolarHBondContact O-N 2.94Å; T28-W30 PolarHBondContact O-N 3.17Å; T28-W30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | S | 46.8 | Very low | 42.4 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -60.4 | 102.9 | 160.8 | 162.1 | 0 | 0 | 0 | 0 | 108.7 | V27 V31 | V27-S29 PolarHBondContact O-N 2.91Å; S29-V31 PolarHBondContact O-N 3.45Å | ||
| 30 | W | 32.2 | Very low | 42.7 | Very low | 231 Ų | 231 | 134.5 Ų | 134.5 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -87.9 | 98.2 | 165.5 | -92.5 | 45.2 | 0 | 0 | 0 | 109 | T28 G32 | T28-W30 PolarHBondContact O-N 3.17Å; T28-W30 VanDerWaalsContact O-N 3.08Å; W30-G32 PolarHBondContact O-N 3.2Å | ||
| 31 | V | 49.3 | Very low | 42.6 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -70.6 | 103 | 158.9 | 173.7 | 0 | 0 | 0 | 0 | 106.4 | S29 | S29-V31 PolarHBondContact O-N 3.45Š| ||
| 32 | G | 36.5 | Very low | 42.8 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | -84.2 | 113.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W30 | W30-G32 PolarHBondContact O-N 3.2Š| ||
| 33 | F | 34.8 | Very low | 42.9 | Very low | 196 Ų | 196 | 130 Ų | 130 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -45.5 | 139.6 | 168.1 | -103.3 | -114.1 | 0 | 0 | 0 | 113.9 | ||||
| 34 | I | 50.9 | Low | 42.9 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -92.4 | 130 | 167 | -61.2 | 166.9 | 0 | 0 | 0 | 108.5 | ||||
| 35 | P | 47.4 | Very low | 43.1 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 175.7 | 140.2 | 44 | -29.3 | 0 | 0 | 0 | 111.5 | ||||
| 36 | P | 53.1 | Low | 43.7 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -111 | 168.8 | -104.9 | 20.2 | 3.1 | 0 | 0 | 0 | 114.4 | |||||
| 37 | I | 49.6 | Very low | 44.2 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -65 | 140.8 | 179 | -63.7 | 158.8 | 0 | 0 | 0 | 112.1 | ||||
| 38 | C | 36.5 | Very low | 44.7 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -154.5 | 155.7 | 149.4 | -100.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | P | 45.8 | Very low | 44.8 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -121.5 | 154.6 | -119.4 | 36.6 | -24.3 | 0 | 0 | 0 | 115.4 | |||||
| 40 | G | 44.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 83.9 | 94 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 41 | A | 38.6 | Very low | 46.3 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | -177.2 | 130.1 | 125.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 42 | S | 47.1 | Very low | 46.4 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -25.9 | 115.7 | -178.9 | 52.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 43 | L | 39.5 | Very low | 47.3 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 115.5 | 161 | -86.9 | 146.8 | 0 | 0 | 0 | 109.5 | ||||
| 44 | H | 47.1 | Very low | 48.2 | Very low | 171 Ų | 171 | 132 Ų | 132 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 135.8 | 159.9 | -76.9 | -83.7 | 0 | 0 | 0 | 109 | A46 | H44-A46 PolarHBondContact O-N 3.05Š| ||
| 45 | P | 47.1 | Very low | 48.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 113.1 | 174.4 | 25.2 | -29.5 | 0 | 0 | 0 | 108.4 | ||||
| 46 | A | 52 | Low | 48.6 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -56.7 | 136.1 | 168 | 0 | 0 | 0 | 0 | 0 | 108.6 | H44 A48 | H44-A46 PolarHBondContact O-N 3.05Å; A46-A48 PolarHBondContact O-N 3.42Å | ||
| 47 | P | 50.4 | Low | 48.2 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -62.5 | 117.3 | 176.6 | 25.5 | -31.3 | 0 | 0 | 0 | 108.2 | C49 | P47-C49 PolarHBondContact O-N 3.33Š| ||
| 48 | A | 50 | Low | 48.1 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -57.1 | 116 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | A46 I50 | A46-A48 PolarHBondContact O-N 3.42Å; A48-I50 PolarHBondContact O-N 3.47Å | ||
| 49 | C | 41.4 | Very low | 48.2 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -69.4 | 89.8 | 171.7 | -166.2 | 0 | 0 | 0 | 0 | 107.5 | P47 R51 | P47-C49 PolarHBondContact O-N 3.33Å; C49-R51 PolarHBondContact O-N 3.26Å | ||
| 50 | I | 56.7 | Low | 48.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 106.8 | 173.8 | -61.9 | 170.9 | 0 | 0 | 0 | 106.1 | A48 L52 | A48-I50 PolarHBondContact O-N 3.47Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.14Å | ||
| 51 | R | 55.1 | Low | 47.6 | Very low | 206 Ų | 206 | 144 Ų | 144 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -62.1 | 96.4 | 164.5 | -117.3 | -177.3 | -179.4 | 176.3 | 1.3 | 107 | C49 Y53 | C49-R51 PolarHBondContact O-N 3.26Å; R51-Y53 VanDerWaalsContact C-N 3.33Å; R51-Y53 WeakPolarHBondContact O-CD2 3.45Å; R51-Y53 PolarHBondContact O-N 3.17Å | ||
| 52 | L | 50.8 | Low | 47.6 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 97 | 168.8 | -75.6 | 162.8 | 0 | 0 | 0 | 107.3 | I50 A54 | I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.14Å; L52-A54 PolarHBondContact O-N 3.06Å; L52-A54 VanDerWaalsContact O-N 3.17Å | ||
| 53 | Y | 54.6 | Low | 47.1 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -59.9 | 119.1 | 167 | -75.8 | -88 | 0 | 0 | 0 | 107.7 | R51 T55 | R51-Y53 VanDerWaalsContact C-N 3.33Å; R51-Y53 WeakPolarHBondContact O-CD2 3.45Å; R51-Y53 PolarHBondContact O-N 3.17Å; Y53-T55 PolarHBondContact O-N 3.33Å | ||
| 54 | A | 54.5 | Low | 47 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -56.1 | 110.2 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | L52 K56 | L52-A54 PolarHBondContact O-N 3.06Å; L52-A54 VanDerWaalsContact O-N 3.17Å; A54-K56 PolarHBondContact O-N 3.08Å | ||
| 55 | T | 55.4 | Low | 46.8 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -60.7 | 109.3 | 165.3 | 54.6 | 0 | 0 | 0 | 0 | 106 | Y53 K57 | Y53-T55 PolarHBondContact O-N 3.33Å; T55-K57 PolarHBondContact O-N 3.42Å | ||
| 56 | K | 50.8 | Low | 46.8 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | -50.6 | 113.4 | 165.6 | -101.5 | -176.7 | 175.2 | 177.6 | 0 | 105.8 | A54 A58 | A54-K56 PolarHBondContact O-N 3.08Å; K56-A58 PolarHBondContact O-N 3.21Å | ||
| 57 | K | 45.8 | Very low | 47 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | -45.9 | 110.9 | 165.9 | -137.4 | 180 | -173.5 | 179.3 | 0 | 105 | T55 K59 | T55-K57 PolarHBondContact O-N 3.42Å; K57-K59 PolarHBondContact O-N 3.31Å | ||
| 58 | A | 46.3 | Very low | 47.2 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 98.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | K56 A60 | K56-A58 PolarHBondContact O-N 3.21Å; A58-A60 PolarHBondContact O-N 2.93Å | ||
| 59 | K | 39.5 | Very low | 47.8 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -67.7 | 89.6 | 168.4 | -152.6 | 175 | -171 | 178.2 | 0 | 102.8 | K57 K61 | K57-K59 PolarHBondContact O-N 3.31Å; K59-K61 VanDerWaalsContact C-N 3.32Å; K59-K61 PolarHBondContact O-N 2.89Å | ||
| 60 | A | 42.4 | Very low | 48.6 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -48.2 | 109.6 | 167 | 0 | 0 | 0 | 0 | 0 | 104.4 | A58 A62 | A58-A60 PolarHBondContact O-N 2.93Å; A60-A62 PolarHBondContact O-N 2.7Å | ||
| 61 | K | 34.4 | Very low | 49.1 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -68.7 | 87.3 | 175.9 | -152.1 | -179.1 | -170.7 | -176.6 | 0 | 103.1 | K59 K63 | K59-K61 VanDerWaalsContact C-N 3.32Å; K59-K61 PolarHBondContact O-N 2.89Å; K61-K63 PolarHBondContact O-N 3.21Å | ||
| 62 | A | 38.3 | Very low | 49.6 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | -47.1 | 120.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 104.5 | A60 G64 | A60-A62 PolarHBondContact O-N 2.7Å; A62-G64 PolarHBondContact O-N 2.96Å | ||
| 63 | K | 36.4 | Very low | 50.5 | Low | 209 Ų | 209 | 130.5 Ų | 130.5 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | trans | -65.5 | 81.3 | 177.7 | -150.4 | 179 | -170.4 | -178.9 | 0 | 104.6 | K61 Q65 | K61-K63 PolarHBondContact O-N 3.21Å; K63-Q65 PolarHBondContact O-N 3.09Å | ||
| 64 | G | 37.9 | Very low | 51 | Low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | -58.9 | 109.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 105 | A62 S66 | A62-G64 PolarHBondContact O-N 2.96Å; G64-S66 VanDerWaalsContact C-N 3.27Å; G64-S66 PolarHBondContact O-N 3.17Å | ||
| 65 | Q | 42.6 | Very low | 51.6 | Low | 190 Ų | 190 | 124.6 Ų | 124.6 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | trans | -52.4 | 109.2 | 157.3 | -89.1 | 174.1 | -10.9 | 0 | 0 | 104.6 | K63 A67 | K63-Q65 PolarHBondContact O-N 3.09Å; Q65-A67 PolarHBondContact O-N 2.66Å | ||
| 66 | S | 47 | Very low | 52.2 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | trans | -50.1 | 111.7 | 168.9 | 168.9 | 0 | 0 | 0 | 0 | 105.9 | G64 K68 Q237 | G64-S66 VanDerWaalsContact C-N 3.27Å; G64-S66 PolarHBondContact O-N 3.17Å; S66-K68 PolarHBondContact O-N 3.23Å; S66-K68 VanDerWaalsContact O-N 3.17Å; S66-Q237 PolarHBondContact OG-NE2 3.49Å | ||
| 67 | A | 55.8 | Low | 53.1 | Low | 77 Ų | 77 | 114 Ų | 114 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | -47.1 | 127.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108 | Q65 V69 Q237 | Q65-A67 PolarHBondContact O-N 2.66Å; A67-V69 PolarHBondContact O-N 2.93Å; A67-Q237 PolarHBondContact O-NE2 3.21Å | ||
| 68 | K | 55.1 | Low | 54.2 | Low | 197 Ų | 197 | 110.6 Ų | 110.6 | 86% | 0.857 | 63% | 0.625 | S | S | * | * | trans | -55.6 | 108.8 | 175.8 | -177.6 | 169.4 | -179.5 | 178.9 | 0 | 106 | S66 N70 | S66-K68 PolarHBondContact O-N 3.23Å; S66-K68 VanDerWaalsContact O-N 3.17Å; K68-N70 PolarHBondContact O-N 2.75Å | ||
| 69 | V | 62.2 | Low | 55.5 | Low | 35 Ų | 35 | 106.9 Ų | 106.9 | 21% | 0.212 | 59% | 0.592 | C | S | . | * | trans | -71.3 | 104 | -174.7 | -173.1 | 0 | 0 | 0 | 0 | 105.3 | A67 I71 L230 | A67-V69 PolarHBondContact O-N 2.93Å; V69-I71 HydrophobicContact CB-CG1 4.39Å; V69-I71 HydrophobicContact CG1-CD1 3.68Å; V69-I71 HydrophobicContact CG1-CG1 3.39Å; V69-I71 PolarHBondContact O-N 2.93Å; V69-L230 HydrophobicContact CG1-CD2 4.07Å | ||
| 70 | N | 57.8 | Low | 57.5 | Low | 157 Ų | 157 | 98 Ų | 98 | 84% | 0.84 | 55% | 0.554 | S | S | * | * | trans | -84.7 | 104.6 | 173.4 | -170.6 | 6.8 | 0 | 0 | 0 | 106.7 | K68 | K68-N70 PolarHBondContact O-N 2.75Š| ||
| 71 | I | 67.4 | Low | 59.6 | Low | 33 Ų | 33 | 96.1 Ų | 96.1 | 17% | 0.169 | 54% | 0.536 | C | S | . | . | trans | -114.6 | 144.6 | 176.3 | -44.5 | 178.1 | 0 | 0 | 0 | 108.2 | V69 S73 V76 L230 | V69-I71 HydrophobicContact CB-CG1 4.39Å; V69-I71 HydrophobicContact CG1-CD1 3.68Å; V69-I71 HydrophobicContact CG1-CG1 3.39Å; V69-I71 PolarHBondContact O-N 2.93Å; I71-S73 PolarHBondContact O-N 2.99Å; I71-V76 HydrophobicContact CB-CG2 4.18Å; I71-V76 HydrophobicContact CD1-CG2 4.36Å; I71-V76 HydrophobicContact CG2-CG2 3.52Å; I71-L230 HydrophobicContact CD1-CB 3.69Å | ||
| 72 | N | 67.4 | Low | 62.1 | Low | 113 Ų | 113 | 87.4 Ų | 87.4 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | trans | -59.5 | 113.1 | 167.3 | -58.3 | -42.5 | 0 | 0 | 0 | 109.4 | S74 L75 | N72-S74 PolarHBondContact O-N 3.44Å; N72-S74 VanDerWaalsContact O-N 3.17Å; N72-L75 HydrophobicContact CB-CD1 4.46Å; N72-L75 PolarHBondContact O-N 3.27Å | ||
| 73 | S | 68.3 | Low | 64.5 | Low | 78 Ų | 78 | 87.8 Ų | 87.8 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -48.1 | -42.4 | -177.9 | -156.4 | 0 | 0 | 0 | 0 | 112.9 | I71 L75 V76 E77 | I71-S73 PolarHBondContact O-N 2.99Å; S73-L75 PolarHBondContact O-N 3.02Å; S73-V76 PolarHBondContact O-N 3.36Å; S73-V76 VanDerWaalsContact O-N 3.14Å; S73-E77 WeakPolarHBondContact CB-OE1 3.34Å; S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.45Å; S73-E77 VanDerWaalsContact O-N 3.17Å; S73-E77 PolarHBondContact OG-OE1 3.09Å |
| 74 | S | 65.9 | Low | 67.1 | Low | 77 Ų | 77 | 83.4 Ų | 83.4 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | -173.8 | 50 | 0 | 0 | 0 | 0 | 114.8 | N72 V76 | N72-S74 PolarHBondContact O-N 3.44Å; N72-S74 VanDerWaalsContact O-N 3.17Å; S74-V76 VanDerWaalsContact C-N 3.26Å; S74-V76 PolarHBondContact O-N 3.26Å |
| 75 | L | 66.6 | Low | 69.7 | Low | 94 Ų | 94 | 80.6 Ų | 80.6 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -77.2 | -15.4 | -179.9 | -67.8 | 173.7 | 0 | 0 | 0 | 113 | N72 S73 | N72-L75 HydrophobicContact CB-CD1 4.46Å; N72-L75 PolarHBondContact O-N 3.27Å; S73-L75 PolarHBondContact O-N 3.02Å |
| 76 | V | 67.9 | Low | 72 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.012 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -96.1 | -36.1 | -176.6 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | I71 S73 S74 D78 I79 I80 L82 V231 | I71-V76 HydrophobicContact CB-CG2 4.18Å; I71-V76 HydrophobicContact CD1-CG2 4.36Å; I71-V76 HydrophobicContact CG2-CG2 3.52Å; S73-V76 PolarHBondContact O-N 3.36Å; S73-V76 VanDerWaalsContact O-N 3.14Å; S74-V76 VanDerWaalsContact C-N 3.26Å; S74-V76 PolarHBondContact O-N 3.26Å; V76-D78 VanDerWaalsContact C-N 3.26Å; V76-D78 PolarHBondContact O-N 3.38Å; V76-I79 PolarHBondContact O-N 3.29Å; V76-I79 VanDerWaalsContact O-N 3.08Å; V76-I80 PolarHBondContact O-N 3.03Å; V76-L82 HydrophobicContact CB-CD1 4.17Å; V76-L82 HydrophobicContact CG1-CD1 3.42Å; V76-L82 VanDerWaalsContact CG1-CD1 3.42Å; V76-L82 HydrophobicContact CG1-CD2 4.11Å; V76-L82 HydrophobicContact CG1-CG 3.66Å; V76-V231 HydrophobicContact CB-CG2 4.42Å; V76-V231 HydrophobicContact CG1-CG1 4.24Å; V76-V231 HydrophobicContact CG1-CG2 3.63Å; V76-V231 HydrophobicContact CG2-CG2 4.17Å |
| 77 | E | 70.2 | Confident | 74.3 | Confident | 109 Ų | 109 | 78 Ų | 78 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 176.4 | -74.5 | 163.5 | -148.3 | 0 | 0 | 112.5 | S73 I79 | S73-E77 WeakPolarHBondContact CB-OE1 3.34Å; S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.45Å; S73-E77 VanDerWaalsContact O-N 3.17Å; S73-E77 PolarHBondContact OG-OE1 3.09Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 2.97Å |
| 78 | D | 69 | Low | 76.2 | Confident | 132 Ų | 132 | 78.7 Ų | 78.7 | 71% | 0.706 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.9 | 177.9 | -70 | -16 | 0 | 0 | 0 | 113.8 | V76 | V76-D78 VanDerWaalsContact C-N 3.26Å; V76-D78 PolarHBondContact O-N 3.38Å |
| 79 | I | 73.9 | Confident | 78.1 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.087 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -44.4 | -176.9 | -56.7 | 177 | 0 | 0 | 0 | 110.5 | V76 E77 A219 H223 T227 V231 | V76-I79 PolarHBondContact O-N 3.29Å; V76-I79 VanDerWaalsContact O-N 3.08Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 2.97Å; I79-A219 HydrophobicContact CG2-CB 3.92Å; I79-H223 HydrophobicContact CD1-CB 4.33Å; I79-T227 HydrophobicContact CD1-CG2 3.68Å; I79-V231 HydrophobicContact CD1-CG2 4.45Å |
| 80 | I | 80.7 | Confident | 79.6 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | trans | -159.4 | 139.8 | 179.2 | -109.2 | 157.9 | 0 | 0 | 0 | 110 | V76 L82 V85 S212 Q215 V216 | V76-I80 PolarHBondContact O-N 3.03Å; I80-L82 HydrophobicContact CG2-CD2 4.27Å; I80-L82 PolarHBondContact O-N 2.84Å; I80-V85 HydrophobicContact CG2-CG2 4.17Å; I80-S212 WeakPolarHBondContact CD1-O 3.4Å; I80-Q215 HydrophobicContact CD1-CB 3.51Å; I80-Q215 HydrophobicContact CG1-CB 4.35Å; I80-V216 HydrophobicContact CD1-CB 4.24Å; I80-V216 HydrophobicContact CD1-CG2 3.32Å | ||
| 81 | S | 86.3 | Confident | 81.5 | Confident | 50 Ų | 50 | 66 Ų | 66 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | trans | -65.4 | 97 | 165.8 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | D83 E84 V85 | S81-D83 PolarHBondContact O-N 3.25Å; S81-E84 WeakPolarHBondContact CB-OE1 3.45Å; S81-E84 PolarHBondContact O-N 3.46Å; S81-E84 PolarHBondContact OG-OE1 3.42Å; S81-V85 PolarHBondContact O-N 2.74Å | ||
| 82 | L | 86.4 | Confident | 82.8 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.2 | -27.9 | 176.2 | -71.7 | 175.4 | 0 | 0 | 0 | 112.8 | V76 I80 V85 K86 Q234 I235 M238 | V76-L82 HydrophobicContact CB-CD1 4.17Å; V76-L82 HydrophobicContact CG1-CD1 3.42Å; V76-L82 VanDerWaalsContact CG1-CD1 3.42Å; V76-L82 HydrophobicContact CG1-CD2 4.11Å; V76-L82 HydrophobicContact CG1-CG 3.66Å; I80-L82 HydrophobicContact CG2-CD2 4.27Å; I80-L82 PolarHBondContact O-N 2.84Å; L82-V85 PolarHBondContact O-N 3.42Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.27Å; L82-K86 PolarHBondContact O-N 3.23Å; L82-Q234 VanDerWaalsContact CD1-NE2 3.28Å; L82-I235 HydrophobicContact CD2-CG1 4.41Å; L82-M238 HydrophobicContact CD2-CE 3.95Å |
| 83 | D | 89.1 | Confident | 84.2 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.1 | -39.9 | -178.8 | -64.8 | -30.4 | 0 | 0 | 0 | 111.5 | S81 V85 K86 E87 | S81-D83 PolarHBondContact O-N 3.25Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.01Å; D83-K86 WeakPolarHBondContact O-CB 3.36Å; D83-K86 PolarHBondContact O-N 2.93Å; D83-K86 VanDerWaalsContact O-N 3.12Å; D83-K86 IonicContact OD1-NZ 2.75Å; D83-K86 PolarHBondContact OD1-NZ 2.99Å; D83-E87 WeakPolarHBondContact O-CG 3.45Å; D83-E87 PolarHBondContact O-N 3.29Å |
| 84 | E | 90.9 | Very high | 85.5 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 170.7 | -67.5 | 172.1 | -150.6 | 0 | 0 | 111.4 | S81 K86 E87 D88 | S81-E84 WeakPolarHBondContact CB-OE1 3.45Å; S81-E84 PolarHBondContact O-N 3.46Å; S81-E84 PolarHBondContact OG-OE1 3.42Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.23Å; E84-E87 PolarHBondContact O-N 3.07Å; E84-D88 PolarHBondContact O-N 3.16Å |
| 85 | V | 91.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | I80 S81 L82 D83 M89 M238 | I80-V85 HydrophobicContact CG2-CG2 4.17Å; S81-V85 PolarHBondContact O-N 2.74Å; L82-V85 PolarHBondContact O-N 3.42Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.01Å; V85-M89 HydrophobicContact CG1-CE 3.79Å; V85-M89 HydrophobicContact CG1-SD 4.5Å; V85-M89 WeakPolarHBondContact O-CB 3.31Å; V85-M89 VanDerWaalsContact O-CG 3.24Å; V85-M89 WeakPolarHBondContact O-CG 3.45Å; V85-M89 PolarHBondContact O-N 2.68Å; V85-M238 HydrophobicContact CG1-CE 4.07Å |
| 86 | K | 92.6 | Very high | 88.3 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 174.6 | -70.7 | 169.5 | -157.9 | 155 | 0 | 110.8 | L82 D83 E84 D88 M89 T90 M238 | L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.27Å; L82-K86 PolarHBondContact O-N 3.23Å; D83-K86 WeakPolarHBondContact O-CB 3.36Å; D83-K86 PolarHBondContact O-N 2.93Å; D83-K86 VanDerWaalsContact O-N 3.12Å; D83-K86 IonicContact OD1-NZ 2.75Å; D83-K86 PolarHBondContact OD1-NZ 2.99Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.23Å; K86-D88 PolarHBondContact O-N 3.3Å; K86-M89 PolarHBondContact O-N 3Å; K86-T90 VanDerWaalsContact O-CG2 3.31Å; K86-T90 WeakPolarHBondContact O-CG2 3.31Å; K86-T90 PolarHBondContact O-N 3.43Å; K86-T90 PolarHBondContact O-OG1 3.03Å; K86-M238 HydrophobicContact CD-SD 4.09Å; K86-M238 VanDerWaalsContact CE-SD 3.58Å; K86-M238 HydrophobicContact CG-CE 4.5Å; K86-M238 HydrophobicContact CG-SD 3.48Å; K86-M238 WeakPolarHBondContact CG-SD 3.32Å |
| 87 | E | 94.9 | Very high | 89.5 | Confident | 129 Ų | 129 | 58.9 Ų | 58.9 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.2 | -49.7 | 177.7 | -74.3 | 178.2 | -175.7 | 0 | 0 | 110.8 | D83 E84 M89 T90 A91 | D83-E87 WeakPolarHBondContact O-CG 3.45Å; D83-E87 PolarHBondContact O-N 3.29Å; E84-E87 PolarHBondContact O-N 3.07Å; E87-M89 VanDerWaalsContact C-N 3.34Å; E87-M89 PolarHBondContact O-N 3.43Å; E87-T90 WeakPolarHBondContact CA-OG1 3.18Å; E87-T90 CarbonylContact O-C 3.57Å; E87-T90 PolarHBondContact O-N 3.12Å; E87-T90 VanDerWaalsContact O-N 3.1Å; E87-T90 PolarHBondContact O-OG1 3.36Å; E87-A91 WeakPolarHBondContact O-CB 3.3Å; E87-A91 PolarHBondContact O-N 3.35Å |
| 88 | D | 94.9 | Very high | 90.6 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 175 | -79.9 | -15 | 0 | 0 | 0 | 112.4 | E84 K86 A91 V92 V208 | E84-D88 PolarHBondContact O-N 3.16Å; K86-D88 PolarHBondContact O-N 3.3Å; D88-A91 WeakPolarHBondContact O-CB 3.36Å; D88-A91 PolarHBondContact O-N 3.24Å; D88-V92 WeakPolarHBondContact O-CG2 3.48Å; D88-V92 PolarHBondContact O-N 3.34Å; D88-V208 HydrophobicContact CB-CG1 3.84Å; D88-V208 HydrophobicContact CB-CG2 4.48Å |
| 89 | M | 94.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 176.8 | -72.1 | -173.4 | -176.3 | 0 | 0 | 112.3 | V85 K86 E87 A91 V92 L93 L205 V208 R209 I235 M238 A239 I242 | V85-M89 HydrophobicContact CG1-CE 3.79Å; V85-M89 HydrophobicContact CG1-SD 4.5Å; V85-M89 WeakPolarHBondContact O-CB 3.31Å; V85-M89 VanDerWaalsContact O-CG 3.24Å; V85-M89 WeakPolarHBondContact O-CG 3.45Å; V85-M89 PolarHBondContact O-N 2.68Å; K86-M89 PolarHBondContact O-N 3Å; E87-M89 VanDerWaalsContact C-N 3.34Å; E87-M89 PolarHBondContact O-N 3.43Å; M89-A91 VanDerWaalsContact C-N 3.35Å; M89-V92 WeakPolarHBondContact O-CB 3.42Å; M89-V92 PolarHBondContact O-N 3.48Å; M89-L93 PolarHBondContact O-N 2.93Å; M89-L205 HydrophobicContact CB-CD1 4.22Å; M89-L205 HydrophobicContact CE-CD1 4.43Å; M89-L205 HydrophobicContact CG-CD1 3.72Å; M89-L205 HydrophobicContact SD-CD1 4.02Å; M89-V208 HydrophobicContact CG-CG1 4.04Å; M89-R209 HydrophobicContact CE-CB 4.42Å; M89-I235 HydrophobicContact CE-CG2 4.33Å; M89-M238 HydrophobicContact SD-CB 4.02Å; M89-A239 HydrophobicContact CE-CB 3.98Å; M89-A239 HydrophobicContact SD-CB 4.41Å; M89-I242 HydrophobicContact CB-CD1 4.5Å; M89-I242 HydrophobicContact CB-CG1 4.11Å; M89-I242 HydrophobicContact SD-CG1 4.39Å |
| 90 | T | 94.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.1 | -30.5 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | K86 E87 V92 L93 S94 | K86-T90 VanDerWaalsContact O-CG2 3.31Å; K86-T90 WeakPolarHBondContact O-CG2 3.31Å; K86-T90 PolarHBondContact O-N 3.43Å; K86-T90 PolarHBondContact O-OG1 3.03Å; E87-T90 WeakPolarHBondContact CA-OG1 3.18Å; E87-T90 CarbonylContact O-C 3.57Å; E87-T90 PolarHBondContact O-N 3.12Å; E87-T90 VanDerWaalsContact O-N 3.1Å; E87-T90 PolarHBondContact O-OG1 3.36Å; T90-V92 VanDerWaalsContact C-N 3.28Å; T90-V92 PolarHBondContact O-N 2.94Å; T90-L93 WeakPolarHBondContact O-CA 3.44Å; T90-L93 WeakPolarHBondContact O-CB 3.41Å; T90-L93 PolarHBondContact O-N 2.89Å; T90-L93 VanDerWaalsContact O-N 3.07Å; T90-S94 PolarHBondContact O-N 3.3Å |
| 91 | A | 96.5 | Very high | 93 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E87 D88 M89 L93 S94 A95 | E87-A91 WeakPolarHBondContact O-CB 3.3Å; E87-A91 PolarHBondContact O-N 3.35Å; D88-A91 WeakPolarHBondContact O-CB 3.36Å; D88-A91 PolarHBondContact O-N 3.24Å; M89-A91 VanDerWaalsContact C-N 3.35Å; A91-L93 VanDerWaalsContact C-N 3.31Å; A91-L93 PolarHBondContact O-N 3.24Å; A91-S94 WeakPolarHBondContact CA-OG 3.31Å; A91-S94 PolarHBondContact O-N 2.75Å; A91-S94 PolarHBondContact O-OG 3.2Å; A91-A95 WeakPolarHBondContact O-CB 3.39Å; A91-A95 PolarHBondContact O-N 2.84Å |
| 92 | V | 96.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 171.4 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | D88 M89 T90 L96 A201 V208 | D88-V92 WeakPolarHBondContact O-CG2 3.48Å; D88-V92 PolarHBondContact O-N 3.34Å; M89-V92 WeakPolarHBondContact O-CB 3.42Å; M89-V92 PolarHBondContact O-N 3.48Å; T90-V92 VanDerWaalsContact C-N 3.28Å; T90-V92 PolarHBondContact O-N 2.94Å; V92-L96 PolarHBondContact O-N 3.49Å; V92-L96 VanDerWaalsContact O-N 3.16Å; V92-A201 HydrophobicContact CG1-CB 4.07Å; V92-A201 WeakPolarHBondContact CG1-O 3.5Å; V92-V208 HydrophobicContact CG2-CG2 4.34Å |
| 93 | L | 95.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 175.8 | -79.4 | 177.3 | 0 | 0 | 0 | 112.9 | M89 T90 A91 L96 K97 I242 E245 I246 | M89-L93 PolarHBondContact O-N 2.93Å; T90-L93 WeakPolarHBondContact O-CA 3.44Å; T90-L93 WeakPolarHBondContact O-CB 3.41Å; T90-L93 PolarHBondContact O-N 2.89Å; T90-L93 VanDerWaalsContact O-N 3.07Å; A91-L93 VanDerWaalsContact C-N 3.31Å; A91-L93 PolarHBondContact O-N 3.24Å; L93-L96 PolarHBondContact O-N 3.2Å; L93-K97 WeakPolarHBondContact O-CG 3.39Å; L93-K97 PolarHBondContact O-N 3.12Å; L93-I242 HydrophobicContact CD1-CD1 3.49Å; L93-I242 VanDerWaalsContact CD1-CD1 3.49Å; L93-I242 HydrophobicContact CD1-CG2 3.92Å; L93-I242 HydrophobicContact CD2-CG2 4.22Å; L93-I242 HydrophobicContact CG-CD1 4.4Å; L93-I242 HydrophobicContact CG-CG2 3.8Å; L93-E245 HydrophobicContact CD1-CB 4.22Å; L93-E245 WeakPolarHBondContact CD1-OE2 3.39Å; L93-E245 HydrophobicContact CD2-CB 4.28Å; L93-I246 HydrophobicContact CD2-CD1 4.43Å; L93-I246 HydrophobicContact CD2-CG1 3.48Å; L93-I246 VanDerWaalsContact CD2-CG1 3.48Å |
| 94 | S | 95.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 177.6 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | T90 A91 L96 K97 D98 | T90-S94 PolarHBondContact O-N 3.3Å; A91-S94 WeakPolarHBondContact CA-OG 3.31Å; A91-S94 PolarHBondContact O-N 2.75Å; A91-S94 PolarHBondContact O-OG 3.2Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.37Å; S94-K97 WeakPolarHBondContact O-CB 3.38Å; S94-K97 PolarHBondContact O-N 3.05Å; S94-D98 PolarHBondContact O-N 3.39Å |
| 95 | A | 95.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A91 D98 E99 | A91-A95 WeakPolarHBondContact O-CB 3.39Å; A91-A95 PolarHBondContact O-N 2.84Å; A95-D98 PolarHBondContact O-N 3.38Å; A95-E99 VanDerWaalsContact O-CG 3.32Å; A95-E99 WeakPolarHBondContact O-CG 3.4Å; A95-E99 PolarHBondContact O-N 2.89Å |
| 96 | L | 95.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 176 | 175.8 | 141.5 | 0 | 0 | 0 | 112.7 | V92 L93 S94 D98 E99 F100 A201 I246 Q249 | V92-L96 PolarHBondContact O-N 3.49Å; V92-L96 VanDerWaalsContact O-N 3.16Å; L93-L96 PolarHBondContact O-N 3.2Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.37Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-E99 PolarHBondContact O-N 2.98Å; L96-F100 HydrophobicContact CD1-CZ 4.2Å; L96-F100 HydrophobicContact CD2-CD2 3.74Å; L96-F100 HydrophobicContact CD2-CE2 3.37Å; L96-F100 HydrophobicContact CD2-CG 4.5Å; L96-F100 HydrophobicContact CD2-CZ 3.84Å; L96-F100 HydrophobicContact CG-CD2 4.37Å; L96-F100 HydrophobicContact CG-CE1 4.34Å; L96-F100 HydrophobicContact CG-CE2 4.02Å; L96-F100 HydrophobicContact CG-CZ 4.01Å; L96-F100 WeakPolarHBondContact O-CG 3.46Å; L96-F100 PolarHBondContact O-N 3.47Å; L96-A201 HydrophobicContact CB-CB 4.12Å; L96-A201 HydrophobicContact CD1-CB 3.32Å; L96-A201 HydrophobicContact CG-CB 4.32Å; L96-I246 HydrophobicContact CD1-CG2 3.95Å; L96-Q249 HydrophobicContact CD2-CB 4.36Å |
| 97 | K | 94 | Very high | 90.4 | Very high | 107 Ų | 107 | 68.8 Ų | 68.8 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.6 | -70.3 | 174.4 | -175.5 | 174.6 | 0 | 111.7 | L93 S94 F100 T101 | L93-K97 WeakPolarHBondContact O-CG 3.39Å; L93-K97 PolarHBondContact O-N 3.12Å; S94-K97 WeakPolarHBondContact O-CB 3.38Å; S94-K97 PolarHBondContact O-N 3.05Å; K97-F100 PolarHBondContact O-N 3.35Å; K97-T101 PolarHBondContact O-N 3.41Å; K97-T101 PolarHBondContact O-OG1 3.31Å |
| 98 | D | 92.6 | Very high | 89.3 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | 178.9 | -64.4 | -20.9 | 0 | 0 | 0 | 110.9 | S94 A95 L96 F100 T101 R102 | S94-D98 PolarHBondContact O-N 3.39Å; A95-D98 PolarHBondContact O-N 3.38Å; L96-D98 VanDerWaalsContact C-N 3.32Å; D98-F100 VanDerWaalsContact C-N 3.3Å; D98-F100 PolarHBondContact O-N 3.19Å; D98-T101 PolarHBondContact O-N 3.24Å; D98-T101 VanDerWaalsContact O-N 3.17Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 PolarHBondContact O-N 3.43Å |
| 99 | E | 92.8 | Very high | 88.3 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 175.1 | -72.1 | -64.1 | 158.1 | 0 | 0 | 112.5 | A95 L96 N103 F197 | A95-E99 VanDerWaalsContact O-CG 3.32Å; A95-E99 WeakPolarHBondContact O-CG 3.4Å; A95-E99 PolarHBondContact O-N 2.89Å; L96-E99 PolarHBondContact O-N 2.98Å; E99-N103 WeakPolarHBondContact O-CB 3.48Å; E99-N103 PolarHBondContact O-N 3.23Å; E99-N103 PolarHBondContact O-ND2 3.03Å; E99-N103 PolarHBondContact OE2-ND2 3.18Å; E99-F197 HydrophobicContact CB-CD1 4.45Å |
| 100 | F | 92.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 174.6 | -74.7 | -9.4 | 0 | 0 | 0 | 112.5 | L96 K97 D98 R102 L104 A194 F197 S198 Q249 K253 | L96-F100 HydrophobicContact CD1-CZ 4.2Å; L96-F100 HydrophobicContact CD2-CD2 3.74Å; L96-F100 HydrophobicContact CD2-CE2 3.37Å; L96-F100 HydrophobicContact CD2-CG 4.5Å; L96-F100 HydrophobicContact CD2-CZ 3.84Å; L96-F100 HydrophobicContact CG-CD2 4.37Å; L96-F100 HydrophobicContact CG-CE1 4.34Å; L96-F100 HydrophobicContact CG-CE2 4.02Å; L96-F100 HydrophobicContact CG-CZ 4.01Å; L96-F100 WeakPolarHBondContact O-CG 3.46Å; L96-F100 PolarHBondContact O-N 3.47Å; K97-F100 PolarHBondContact O-N 3.35Å; D98-F100 VanDerWaalsContact C-N 3.3Å; D98-F100 PolarHBondContact O-N 3.19Å; F100-R102 VanDerWaalsContact C-N 3.32Å; F100-L104 HydrophobicContact CB-CD1 4.15Å; F100-L104 HydrophobicContact CD1-CD1 3.22Å; F100-L104 HydrophobicContact CD1-CG 4.28Å; F100-L104 HydrophobicContact CE1-CD1 3.68Å; F100-L104 HydrophobicContact CG-CD1 3.83Å; F100-L104 WeakPolarHBondContact O-CB 3.46Å; F100-L104 PolarHBondContact O-N 3.01Å; F100-L104 VanDerWaalsContact O-N 3.08Å; F100-A194 HydrophobicContact CE1-CB 4.38Å; F100-F197 HydrophobicContact CD1-CB 4.44Å; F100-F197 HydrophobicContact CE1-CB 3.95Å; F100-S198 WeakPolarHBondContact CZ-OG 3.27Å; F100-Q249 HydrophobicContact CE2-CB 4.28Å; F100-K253 HydrophobicContact CD2-CD 4.49Å; F100-K253 HydrophobicContact CD2-CG 3.73Å; F100-K253 HydrophobicContact CE2-CB 4.48Å; F100-K253 HydrophobicContact CE2-CG 4.07Å; F100-K253 HydrophobicContact CG-CG 4.36Å |
| 101 | T | 88.5 | Confident | 86.8 | Confident | 106 Ų | 106 | 62.2 Ų | 62.2 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 111 | K97 D98 | K97-T101 PolarHBondContact O-N 3.41Å; K97-T101 PolarHBondContact O-OG1 3.31Å; D98-T101 PolarHBondContact O-N 3.24Å; D98-T101 VanDerWaalsContact O-N 3.17Å |
| 102 | R | 85.5 | Confident | 86 | Confident | 208 Ų | 208 | 61.7 Ų | 61.7 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.6 | -42.9 | -178 | -169.4 | 176.2 | -174.3 | 178 | 2.8 | 113.6 | D98 F100 | D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 PolarHBondContact O-N 3.43Å; F100-R102 VanDerWaalsContact C-N 3.32Å |
| 103 | N | 86.4 | Confident | 85.5 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -105.8 | -21.3 | -167.8 | -60.2 | -68.3 | 0 | 0 | 0 | 114.7 | E99 F197 | E99-N103 WeakPolarHBondContact O-CB 3.48Å; E99-N103 PolarHBondContact O-N 3.23Å; E99-N103 PolarHBondContact O-ND2 3.03Å; E99-N103 PolarHBondContact OE2-ND2 3.18Å; N103-F197 HydrophobicContact CB-CE2 3.89Å; N103-F197 HydrophobicContact CB-CZ 4.14Å |
| 104 | L | 84.8 | Confident | 85 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | trans | -109 | 28.3 | -168.7 | -56.2 | 177.6 | 0 | 0 | 0 | 114 | F100 L190 L193 A194 L257 | F100-L104 HydrophobicContact CB-CD1 4.15Å; F100-L104 HydrophobicContact CD1-CD1 3.22Å; F100-L104 HydrophobicContact CD1-CG 4.28Å; F100-L104 HydrophobicContact CE1-CD1 3.68Å; F100-L104 HydrophobicContact CG-CD1 3.83Å; F100-L104 WeakPolarHBondContact O-CB 3.46Å; F100-L104 PolarHBondContact O-N 3.01Å; F100-L104 VanDerWaalsContact O-N 3.08Å; L104-L190 HydrophobicContact CD2-CD2 4.47Å; L104-L190 WeakPolarHBondContact CD2-O 3.44Å; L104-L193 HydrophobicContact CD2-CB 4.02Å; L104-A194 HydrophobicContact CD1-CB 3.47Å; L104-A194 VanDerWaalsContact CD1-CB 3.47Å; L104-A194 HydrophobicContact CD2-CB 4.23Å; L104-L257 WeakPolarHBondContact O-CD2 3.42Å | ||
| 105 | S | 81.6 | Confident | 84.5 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | trans | -80.2 | 123 | 175.2 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | R107 | S105-R107 PolarHBondContact OG-O 2.89Š| ||
| 106 | I | 74.9 | Confident | 84.2 | Confident | 29 Ų | 29 | 66 Ų | 66 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | trans | -80.3 | -35.3 | 171.1 | -75.9 | 177.1 | 0 | 0 | 0 | 111.8 | V182 R187 L190 L257 | I106-V182 HydrophobicContact CG2-CB 4.41Å; I106-V182 HydrophobicContact CG2-CG1 4.2Å; I106-V182 HydrophobicContact CG2-CG2 3.76Å; I106-R187 HydrophobicContact CD1-CG 4.1Å; I106-L190 HydrophobicContact CG1-CD1 3.68Å; I106-L257 HydrophobicContact CD1-CB 3.99Å; I106-L257 HydrophobicContact CD1-CD2 3.38Å; I106-L257 HydrophobicContact CD1-CG 4.25Å; I106-L257 WeakPolarHBondContact CD1-O 3.39Å; I106-L257 HydrophobicContact CG1-CD2 3.44Å; I106-L257 VanDerWaalsContact CG1-CD2 3.44Å | ||
| 107 | R | 69.8 | Low | 84 | Confident | 186 Ų | 186 | 69.7 Ų | 69.7 | 70% | 0.702 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -96.2 | 132.6 | -174.8 | -63.8 | 177.5 | -176.4 | -97.5 | 1 | 107.8 | S105 S109 | S105-R107 PolarHBondContact OG-O 2.89Å; R107-S109 VanDerWaalsContact C-N 3.3Å; R107-S109 PolarHBondContact O-N 2.78Å |
| 108 | T | 71.6 | Confident | 83.9 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | trans | -69.2 | 96.6 | 162.8 | -50.8 | 0 | 0 | 0 | 0 | 106.8 | A112 I141 M164 V179 | T108-A112 HydrophobicContact CG2-CB 4.04Å; T108-I141 HydrophobicContact CG2-CD1 3.48Å; T108-I141 VanDerWaalsContact CG2-CD1 3.48Å; T108-M164 HydrophobicContact CG2-CE 3.59Å; T108-V179 HydrophobicContact CG2-CG2 4.29Å; T108-V179 VanDerWaalsContact OG1-CG1 3.32Å; T108-V179 WeakPolarHBondContact OG1-CG1 3.42Å | ||
| 109 | S | 75.1 | Confident | 83.9 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | trans | -65.9 | 152.6 | 166.6 | 57.4 | 0 | 0 | 0 | 0 | 108.6 | R107 G111 A112 | R107-S109 VanDerWaalsContact C-N 3.3Å; R107-S109 PolarHBondContact O-N 2.78Å; S109-G111 PolarHBondContact O-N 3.5Å; S109-A112 VanDerWaalsContact O-CB 3.29Å; S109-A112 WeakPolarHBondContact O-CB 3.39Å; S109-A112 PolarHBondContact O-N 2.87Å | ||
| 110 | P | 77.2 | Confident | 83.7 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 31% | 0.305 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -53.1 | -36.9 | 173.3 | 20.3 | -31.6 | 0 | 0 | 0 | 111.5 | A112 L113 I133 | P110-A112 PolarHBondContact O-N 2.76Å; P110-A112 VanDerWaalsContact O-N 3.12Å; P110-L113 PolarHBondContact O-N 2.85Å; P110-L113 VanDerWaalsContact O-N 3.09Å; P110-I133 HydrophobicContact CB-CB 4.5Å; P110-I133 HydrophobicContact CB-CG2 3.6Å |
| 111 | G | 80.2 | Confident | 83.4 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -62.3 | -17.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S109 L113 D114 | S109-G111 PolarHBondContact O-N 3.5Å; G111-L113 PolarHBondContact O-N 3.13Å; G111-D114 WeakPolarHBondContact CA-OD2 3.48Å; G111-D114 WeakPolarHBondContact O-CB 3.28Å; G111-D114 PolarHBondContact O-N 3.43Å |
| 112 | A | 79.7 | Confident | 83.2 | Confident | 37 Ų | 37 | 71.4 Ų | 71.4 | 31% | 0.306 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -65.2 | -26.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T108 S109 P110 M164 | T108-A112 HydrophobicContact CG2-CB 4.04Å; S109-A112 VanDerWaalsContact O-CB 3.29Å; S109-A112 WeakPolarHBondContact O-CB 3.39Å; S109-A112 PolarHBondContact O-N 2.87Å; P110-A112 PolarHBondContact O-N 2.76Å; P110-A112 VanDerWaalsContact O-N 3.12Å; A112-M164 HydrophobicContact CB-SD 4.34Å |
| 113 | L | 85.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14.5 | -179.8 | -56.2 | -178.5 | 0 | 0 | 0 | 112.8 | P110 G111 H115 I116 L127 I133 I141 L159 M164 L166 | P110-L113 PolarHBondContact O-N 2.85Å; P110-L113 VanDerWaalsContact O-N 3.09Å; G111-L113 PolarHBondContact O-N 3.13Å; L113-H115 VanDerWaalsContact C-N 3.27Å; L113-H115 PolarHBondContact O-N 3Å; L113-I116 HydrophobicContact CB-CD1 4.24Å; L113-I116 HydrophobicContact CD2-CD1 3.67Å; L113-I116 WeakPolarHBondContact O-CB 3.25Å; L113-I116 PolarHBondContact O-N 2.96Å; L113-I116 VanDerWaalsContact O-N 3.17Å; L113-L127 HydrophobicContact CB-CD2 4.15Å; L113-I133 HydrophobicContact CB-CD1 4.16Å; L113-I141 HydrophobicContact CD1-CB 4.41Å; L113-I141 HydrophobicContact CD1-CD1 4.14Å; L113-I141 HydrophobicContact CD1-CG2 3.81Å; L113-L159 HydrophobicContact CD1-CD2 4.31Å; L113-L159 HydrophobicContact CD2-CD2 4Å; L113-M164 HydrophobicContact CD2-SD 4.02Å; L113-L166 HydrophobicContact CD2-CD1 4.07Å |
| 114 | D | 85.3 | Confident | 83.7 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.5 | -175.2 | -66.7 | 1.2 | 0 | 0 | 0 | 112.8 | G111 I116 N128 I133 | G111-D114 WeakPolarHBondContact CA-OD2 3.48Å; G111-D114 WeakPolarHBondContact O-CB 3.28Å; G111-D114 PolarHBondContact O-N 3.43Å; D114-I116 VanDerWaalsContact C-N 3.27Å; D114-I116 PolarHBondContact O-N 3.01Å; D114-N128 HydrophobicContact CB-CB 4.06Å; D114-I133 WeakPolarHBondContact OD1-CD1 3.49Å |
| 115 | H | 85.9 | Confident | 84.1 | Confident | 161 Ų | 161 | 70.3 Ų | 70.3 | 75% | 0.745 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.9 | -177.4 | -56.9 | -57.5 | 0 | 0 | 0 | 113.7 | L113 V117 | L113-H115 VanDerWaalsContact C-N 3.27Å; L113-H115 PolarHBondContact O-N 3Å; H115-V117 PolarHBondContact O-N 3.42Å |
| 116 | I | 89.2 | Confident | 84.6 | Confident | 21 Ų | 21 | 69 Ų | 69 | 11% | 0.108 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 120.4 | -179.8 | -62.2 | 174.9 | 0 | 0 | 0 | 108.5 | L113 D114 P126 L127 A158 L159 | L113-I116 HydrophobicContact CB-CD1 4.24Å; L113-I116 HydrophobicContact CD2-CD1 3.67Å; L113-I116 WeakPolarHBondContact O-CB 3.25Å; L113-I116 PolarHBondContact O-N 2.96Å; L113-I116 VanDerWaalsContact O-N 3.17Å; D114-I116 VanDerWaalsContact C-N 3.27Å; D114-I116 PolarHBondContact O-N 3.01Å; I116-P126 WeakPolarHBondContact O-CA 3.29Å; I116-L127 PolarHBondContact O-N 2.86Å; I116-A158 HydrophobicContact CG2-CB 4.06Å; I116-L159 HydrophobicContact CD1-CD2 3.69Å |
| 117 | V | 91.7 | Very high | 85.3 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.8 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | H115 K124 | H115-V117 PolarHBondContact O-N 3.42Å; V117-K124 HydrophobicContact CG1-CB 3.78Å; V117-K124 HydrophobicContact CG1-CD 4.4Å; V117-K124 HydrophobicContact CG1-CG 4.34Å |
| 118 | V | 92.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.2 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | T120 K124 F125 L127 L130 A154 A155 A158 | V118-T120 HydrophobicContact CG1-CG2 4.16Å; V118-K124 WeakPolarHBondContact O-CA 3.44Å; V118-F125 PolarHBondContact N-O 3.46Å; V118-F125 PolarHBondContact O-N 2.93Å; V118-L127 HydrophobicContact CG2-CB 4.23Å; V118-L127 HydrophobicContact CG2-CD1 3.8Å; V118-L130 HydrophobicContact CB-CD1 3.66Å; V118-L130 HydrophobicContact CG1-CD1 3.89Å; V118-L130 HydrophobicContact CG2-CD1 4.09Å; V118-A154 HydrophobicContact CG1-CB 3.75Å; V118-A155 HydrophobicContact CG1-CB 4.33Å; V118-A155 HydrophobicContact CG2-CB 4.31Å; V118-A158 HydrophobicContact CB-CB 4.41Å; V118-A158 HydrophobicContact CG1-CB 4.49Å; V118-A158 HydrophobicContact CG2-CB 4Å |
| 119 | T | 91.4 | Very high | 87.2 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 108.6 | 173.6 | -54.2 | 0 | 0 | 0 | 0 | 108.5 | K124 A154 | T119-K124 HydrophobicContact CG2-CG 4.21Å; T119-A154 WeakPolarHBondContact O-CB 3.37Å |
| 120 | T | 89.3 | Confident | 87.9 | Confident | 25 Ų | 25 | 66 Ų | 66 | 15% | 0.153 | 36% | 0.356 | C | S | . | . | trans | -98.9 | -179.1 | 172.7 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | V118 D122 G123 L130 A151 | V118-T120 HydrophobicContact CG1-CG2 4.16Å; T120-D122 VanDerWaalsContact C-N 3.26Å; T120-D122 PolarHBondContact O-N 3.49Å; T120-G123 PolarHBondContact N-O 3.18Å; T120-G123 PolarHBondContact O-N 3.04Å; T120-G123 PolarHBondContact OG1-O 2.84Å; T120-L130 HydrophobicContact CG2-CD1 3.97Å; T120-A151 HydrophobicContact CG2-CB 3.8Å | ||
| 121 | Q | 87.1 | Confident | 88.5 | Confident | 191 Ų | 191 | 64 Ų | 64 | 89% | 0.893 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -65.7 | -32.8 | 177.1 | -62.4 | -178.1 | 2.9 | 0 | 0 | 111.6 | ||
| 122 | D | 84.1 | Confident | 89.1 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -85.4 | -10.5 | -177 | -47.3 | -63.2 | 0 | 0 | 0 | 113.7 | T120 F125 | T120-D122 VanDerWaalsContact C-N 3.26Å; T120-D122 PolarHBondContact O-N 3.49Å; D122-F125 HydrophobicContact CB-CE2 4.23Å |
| 123 | G | 89.3 | Confident | 89.6 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | 145.6 | -163.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T120 | T120-G123 PolarHBondContact N-O 3.18Å; T120-G123 PolarHBondContact O-N 3.04Å; T120-G123 PolarHBondContact OG1-O 2.84Å | ||
| 124 | K | 92.9 | Very high | 89.9 | Confident | 154 Ų | 154 | 70.4 Ų | 70.4 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.7 | 178.2 | -69.3 | -176.8 | -179.1 | -179.7 | 0 | 109.7 | V117 V118 T119 | V117-K124 HydrophobicContact CG1-CB 3.78Å; V117-K124 HydrophobicContact CG1-CD 4.4Å; V117-K124 HydrophobicContact CG1-CG 4.34Å; V118-K124 WeakPolarHBondContact O-CA 3.44Å; T119-K124 HydrophobicContact CG2-CG 4.21Å |
| 125 | F | 92.1 | Very high | 90 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.2 | -179.5 | -60.5 | -81 | 0 | 0 | 0 | 110.7 | V118 D122 L130 | V118-F125 PolarHBondContact N-O 3.46Å; V118-F125 PolarHBondContact O-N 2.93Å; D122-F125 HydrophobicContact CB-CE2 4.23Å; F125-L130 HydrophobicContact CB-CD1 4.17Å; F125-L130 HydrophobicContact CB-CD2 4.01Å; F125-L130 HydrophobicContact CB-CG 4.03Å; F125-L130 HydrophobicContact CD2-CD2 4.43Å; F125-L130 HydrophobicContact CG-CD2 4.35Å |
| 126 | P | 92.6 | Very high | 90.2 | Very high | 42 Ų | 42 | 73.3 Ų | 73.3 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 147.7 | 170.4 | 29.9 | -34.6 | 0 | 0 | 0 | 110.6 | I116 N128 Q129 | I116-P126 WeakPolarHBondContact O-CA 3.29Å; P126-N128 PolarHBondContact O-N 3.42Å; P126-N128 VanDerWaalsContact O-N 3.16Å; P126-Q129 HydrophobicContact CG-CB 4.29Å; P126-Q129 HydrophobicContact CG-CG 3.81Å; P126-Q129 PolarHBondContact O-N 2.89Å |
| 127 | L | 90.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.3 | -34.2 | -176.3 | -173 | 64.1 | 0 | 0 | 0 | 113.2 | L113 I116 V118 Q129 L130 G131 I133 V143 M145 A155 L159 | L113-L127 HydrophobicContact CB-CD2 4.15Å; I116-L127 PolarHBondContact O-N 2.86Å; V118-L127 HydrophobicContact CG2-CB 4.23Å; V118-L127 HydrophobicContact CG2-CD1 3.8Å; L127-Q129 PolarHBondContact O-N 3.07Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-L130 VanDerWaalsContact O-N 3.12Å; L127-G131 PolarHBondContact O-N 3.1Å; L127-G131 VanDerWaalsContact O-N 3.13Å; L127-I133 HydrophobicContact CD2-CD1 4.22Å; L127-I133 HydrophobicContact CG-CD1 4.31Å; L127-V143 HydrophobicContact CD1-CG1 4.3Å; L127-V143 HydrophobicContact CD2-CG1 4.44Å; L127-V143 HydrophobicContact CG-CG1 4.39Å; L127-M145 HydrophobicContact CD1-SD 4.22Å; L127-A155 HydrophobicContact CD1-CB 3.88Å; L127-L159 HydrophobicContact CD2-CD1 4.47Å; L127-L159 HydrophobicContact CD2-CD2 3.93Å; L127-L159 HydrophobicContact CD2-CG 4.34Å |
| 128 | N | 90.9 | Very high | 89.7 | Confident | 94 Ų | 94 | 75 Ų | 75 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -28 | 178.6 | -170.7 | 12.4 | 0 | 0 | 0 | 113.5 | D114 P126 | D114-N128 HydrophobicContact CB-CB 4.06Å; P126-N128 PolarHBondContact O-N 3.42Å; P126-N128 VanDerWaalsContact O-N 3.16Å |
| 129 | Q | 90.6 | Very high | 89.4 | Confident | 128 Ų | 128 | 79.5 Ų | 79.5 | 60% | 0.598 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -81.2 | -27.5 | 177.5 | -72.5 | 176.4 | 2.5 | 0 | 0 | 112.7 | P126 L127 | P126-Q129 HydrophobicContact CG-CB 4.29Å; P126-Q129 HydrophobicContact CG-CG 3.81Å; P126-Q129 PolarHBondContact O-N 2.89Å; L127-Q129 PolarHBondContact O-N 3.07Å |
| 130 | L | 90.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 77.6 Ų | 77.6 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -89.1 | -26.6 | -174.7 | -61.1 | 177.3 | 0 | 0 | 0 | 112.7 | V118 T120 F125 L127 M145 S147 F148 | V118-L130 HydrophobicContact CB-CD1 3.66Å; V118-L130 HydrophobicContact CG1-CD1 3.89Å; V118-L130 HydrophobicContact CG2-CD1 4.09Å; T120-L130 HydrophobicContact CG2-CD1 3.97Å; F125-L130 HydrophobicContact CB-CD1 4.17Å; F125-L130 HydrophobicContact CB-CD2 4.01Å; F125-L130 HydrophobicContact CB-CG 4.03Å; F125-L130 HydrophobicContact CD2-CD2 4.43Å; F125-L130 HydrophobicContact CG-CD2 4.35Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-L130 VanDerWaalsContact O-N 3.12Å; L130-M145 HydrophobicContact CB-CE 3.52Å; L130-S147 PolarHBondContact O-OG 3.31Å; L130-F148 HydrophobicContact CD2-CD2 4.31Å |
| 131 | G | 90.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -157.8 | 163.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L127 N144 | L127-G131 PolarHBondContact O-N 3.1Å; L127-G131 VanDerWaalsContact O-N 3.13Å; G131-N144 CarbonylContact C-O 3.46Å; G131-N144 WeakPolarHBondContact CA-O 3.47Å |
| 132 | Q | 91.1 | Very high | 89.7 | Confident | 137 Ų | 137 | 69.3 Ų | 69.3 | 64% | 0.64 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.6 | 179.7 | -172.1 | -179.1 | 18.8 | 0 | 0 | 110.5 | N144 | Q132-N144 HydrophobicContact CB-CB 4.44Å; Q132-N144 PolarHBondContact N-O 2.93Å; Q132-N144 PolarHBondContact O-N 3.42Å |
| 133 | I | 91.6 | Very high | 90.1 | Very high | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.3 | 178.1 | -58.4 | 157.7 | 0 | 0 | 0 | 108.9 | P110 L113 D114 L127 I141 V143 | P110-I133 HydrophobicContact CB-CB 4.5Å; P110-I133 HydrophobicContact CB-CG2 3.6Å; L113-I133 HydrophobicContact CB-CD1 4.16Å; D114-I133 WeakPolarHBondContact OD1-CD1 3.49Å; L127-I133 HydrophobicContact CD2-CD1 4.22Å; L127-I133 HydrophobicContact CG-CD1 4.31Å; I133-I141 HydrophobicContact CG2-CG2 3.73Å; I133-V143 HydrophobicContact CG1-CG1 4.11Å; I133-V143 HydrophobicContact CG1-CG2 4.16Å |
| 134 | S | 90.7 | Very high | 90.2 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.6 | -180 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | M142 | S134-M142 PolarHBondContact N-O 3.36Å; S134-M142 PolarHBondContact O-N 2.81Å; S134-M142 VanDerWaalsContact O-O 3.05Å; S134-M142 PolarHBondContact OG-O 3Å |
| 135 | M | 88.2 | Confident | 90.1 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 53% | 0.532 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 112.3 | 177.3 | -171.5 | 175.4 | 62.9 | 0 | 0 | 109.2 | S137 | M135-S137 WeakPolarHBondContact CG-O 3.48Å |
| 136 | K | 88.4 | Confident | 90 | Very high | 157 Ų | 157 | 56.9 Ų | 56.9 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | -37.7 | 176.9 | -177.1 | 173.6 | -179.1 | 173 | 0 | 111.8 | V140 | K136-V140 PolarHBondContact N-O 3.39Å |
| 137 | S | 87.1 | Confident | 89.7 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 155.7 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | M135 Q139 V140 | M135-S137 WeakPolarHBondContact CG-O 3.48Å; S137-Q139 PolarHBondContact O-N 2.92Å; S137-V140 PolarHBondContact N-O 3.35Å; S137-V140 CarbonylContact O-C 3.56Å; S137-V140 PolarHBondContact O-N 3.35Å |
| 138 | P | 83.4 | Confident | 89.5 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -17.7 | 176.5 | -26.7 | 35.3 | 0 | 0 | 0 | 115.1 | ||
| 139 | Q | 87.2 | Confident | 89.4 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -8.2 | 177.7 | -69.1 | 171.5 | 15.3 | 0 | 0 | 113.4 | S137 P178 V179 | S137-Q139 PolarHBondContact O-N 2.92Å; Q139-P178 CarbonylContact O-C 3.46Å; Q139-P178 WeakPolarHBondContact O-CA 3.14Å; Q139-V179 PolarHBondContact O-N 2.79Å |
| 140 | V | 89.3 | Confident | 89.3 | Confident | 46 Ų | 46 | 61 Ų | 61 | 28% | 0.279 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 112.3 | -175.7 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | K136 S137 K176 | K136-V140 PolarHBondContact N-O 3.39Å; S137-V140 PolarHBondContact N-O 3.35Å; S137-V140 CarbonylContact O-C 3.56Å; S137-V140 PolarHBondContact O-N 3.35Å; V140-K176 HydrophobicContact CG1-CB 4.44Å |
| 141 | I | 91 | Very high | 89.3 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 140.5 | 170.8 | -58.6 | 170.5 | 0 | 0 | 0 | 107.9 | T108 L113 I133 V177 V179 | T108-I141 HydrophobicContact CG2-CD1 3.48Å; T108-I141 VanDerWaalsContact CG2-CD1 3.48Å; L113-I141 HydrophobicContact CD1-CB 4.41Å; L113-I141 HydrophobicContact CD1-CD1 4.14Å; L113-I141 HydrophobicContact CD1-CG2 3.81Å; I133-I141 HydrophobicContact CG2-CG2 3.73Å; I141-V177 HydrophobicContact CB-CB 4.34Å; I141-V177 PolarHBondContact N-O 3.46Å; I141-V177 PolarHBondContact O-N 3.21Å; I141-V179 HydrophobicContact CD1-CG2 3.81Å; I141-V179 HydrophobicContact CG1-CG2 4.15Å |
| 142 | M | 92.1 | Very high | 89.4 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 20% | 0.197 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.4 | -178.4 | -169.9 | 172.9 | 73.8 | 0 | 0 | 109 | S134 I174 I175 | S134-M142 PolarHBondContact N-O 3.36Å; S134-M142 PolarHBondContact O-N 2.81Å; S134-M142 VanDerWaalsContact O-O 3.05Å; S134-M142 PolarHBondContact OG-O 3Å; M142-I174 HydrophobicContact CG-CG2 3.33Å; M142-I174 HydrophobicContact SD-CG2 3.69Å; M142-I175 WeakPolarHBondContact CA-O 3.49Å |
| 143 | V | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.1 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 108 | L127 I133 M145 I175 V177 | L127-V143 HydrophobicContact CD1-CG1 4.3Å; L127-V143 HydrophobicContact CD2-CG1 4.44Å; L127-V143 HydrophobicContact CG-CG1 4.39Å; I133-V143 HydrophobicContact CG1-CG1 4.11Å; I133-V143 HydrophobicContact CG1-CG2 4.16Å; V143-M145 HydrophobicContact CG1-CG 4.35Å; V143-M145 HydrophobicContact CG1-SD 3.71Å; V143-I175 HydrophobicContact CB-CB 4.26Å; V143-I175 PolarHBondContact N-O 2.98Å; V143-I175 PolarHBondContact O-N 2.86Å; V143-V177 HydrophobicContact CG2-CG2 4.4Å |
| 144 | N | 92.9 | Very high | 89.4 | Confident | 31 Ų | 31 | 58 Ų | 58 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.3 | 178.7 | -63.4 | -32.6 | 0 | 0 | 0 | 109.3 | G131 Q132 | G131-N144 CarbonylContact C-O 3.46Å; G131-N144 WeakPolarHBondContact CA-O 3.47Å; Q132-N144 HydrophobicContact CB-CB 4.44Å; Q132-N144 PolarHBondContact N-O 2.93Å; Q132-N144 PolarHBondContact O-N 3.42Å |
| 145 | M | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -103.4 | 29.3 | -178.4 | -57.3 | -64 | -64.1 | 0 | 0 | 111.9 | L127 L130 V143 S147 F148 A151 A155 T173 I175 | L127-M145 HydrophobicContact CD1-SD 4.22Å; L130-M145 HydrophobicContact CB-CE 3.52Å; V143-M145 HydrophobicContact CG1-CG 4.35Å; V143-M145 HydrophobicContact CG1-SD 3.71Å; M145-S147 PolarHBondContact O-N 3.15Å; M145-S147 VanDerWaalsContact O-N 3.09Å; M145-F148 CarbonylContact O-C 3.59Å; M145-F148 VanDerWaalsContact O-C 3.28Å; M145-F148 PolarHBondContact O-N 3.11Å; M145-A151 HydrophobicContact CE-CB 4.18Å; M145-A155 HydrophobicContact CE-CB 4.07Å; M145-A155 HydrophobicContact SD-CB 4.45Å; M145-T173 PolarHBondContact N-O 3.48Å; M145-I175 HydrophobicContact CG-CD1 3.98Å; M145-I175 HydrophobicContact CG-CG1 4.46Å | ||
| 146 | S | 88.6 | Confident | 89.6 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | -172.8 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 147 | S | 86.4 | Confident | 89.7 | Confident | 69 Ų | 69 | 52.6 Ų | 52.6 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -33.5 | 175.4 | 33.8 | 0 | 0 | 0 | 0 | 113.6 | L130 M145 | L130-S147 PolarHBondContact O-OG 3.31Å; M145-S147 PolarHBondContact O-N 3.15Å; M145-S147 VanDerWaalsContact O-N 3.09Å |
| 148 | F | 87.2 | Confident | 89.9 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 39% | 0.386 | 29% | 0.288 | S | S | . | . | trans | -141.2 | 76.4 | -173.9 | -62.5 | -74.8 | 0 | 0 | 0 | 110.1 | L130 M145 E150 A151 | L130-F148 HydrophobicContact CD2-CD2 4.31Å; M145-F148 CarbonylContact O-C 3.59Å; M145-F148 VanDerWaalsContact O-C 3.28Å; M145-F148 PolarHBondContact O-N 3.11Å; F148-E150 VanDerWaalsContact C-N 3.25Å; F148-E150 PolarHBondContact O-N 2.9Å; F148-A151 HydrophobicContact CB-CB 3.96Å; F148-A151 WeakPolarHBondContact O-CB 3.4Å; F148-A151 PolarHBondContact O-N 3.44Å; F148-A151 VanDerWaalsContact O-N 3.09Å | ||
| 149 | P | 87.2 | Confident | 90.2 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -62.1 | -32.1 | -176.5 | 25.3 | -33.5 | 0 | 0 | 0 | 112.5 | A151 T152 T173 | P149-A151 VanDerWaalsContact C-N 3.26Å; P149-A151 PolarHBondContact O-N 2.93Å; P149-T152 WeakPolarHBondContact O-CB 3.29Å; P149-T152 PolarHBondContact O-N 3.46Å; P149-T152 PolarHBondContact O-OG1 2.96Å; P149-T173 HydrophobicContact CB-CG2 4.13Å |
| 150 | E | 88.8 | Confident | 90.4 | Very high | 126 Ų | 126 | 48.7 Ų | 48.7 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -64.5 | -27.1 | 175.6 | 63.3 | -76.3 | 164.2 | 0 | 0 | 113.6 | F148 T152 | F148-E150 VanDerWaalsContact C-N 3.25Å; F148-E150 PolarHBondContact O-N 2.9Å; E150-T152 VanDerWaalsContact C-N 3.27Å; E150-T152 PolarHBondContact O-N 2.66Å |
| 151 | A | 89.9 | Confident | 90.4 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -79.1 | -8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T120 M145 F148 P149 A153 A154 A155 | T120-A151 HydrophobicContact CG2-CB 3.8Å; M145-A151 HydrophobicContact CE-CB 4.18Å; F148-A151 HydrophobicContact CB-CB 3.96Å; F148-A151 WeakPolarHBondContact O-CB 3.4Å; F148-A151 PolarHBondContact O-N 3.44Å; F148-A151 VanDerWaalsContact O-N 3.09Å; P149-A151 VanDerWaalsContact C-N 3.26Å; P149-A151 PolarHBondContact O-N 2.93Å; A151-A153 VanDerWaalsContact C-N 3.35Å; A151-A153 PolarHBondContact O-N 2.97Å; A151-A154 PolarHBondContact O-N 3.17Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.01Å |
| 152 | T | 92 | Very high | 90.1 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | -176.3 | -51.4 | 0 | 0 | 0 | 0 | 112.5 | P149 E150 A155 T156 A170 G172 I175 | P149-T152 WeakPolarHBondContact O-CB 3.29Å; P149-T152 PolarHBondContact O-N 3.46Å; P149-T152 PolarHBondContact O-OG1 2.96Å; E150-T152 VanDerWaalsContact C-N 3.27Å; E150-T152 PolarHBondContact O-N 2.66Å; T152-A155 PolarHBondContact O-N 2.9Å; T152-T156 WeakPolarHBondContact O-CB 3.48Å; T152-T156 PolarHBondContact O-N 3.15Å; T152-T156 PolarHBondContact O-OG1 3.28Å; T152-A170 HydrophobicContact CG2-CB 4.36Å; T152-G172 WeakPolarHBondContact CG2-O 3.45Å; T152-I175 HydrophobicContact CG2-CD1 3.84Å; T152-I175 HydrophobicContact CG2-CG1 3.73Å |
| 153 | A | 91.4 | Very high | 89.4 | Confident | 76 Ų | 76 | 57 Ų | 57 | 63% | 0.628 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A151 T156 R157 | A151-A153 VanDerWaalsContact C-N 3.35Å; A151-A153 PolarHBondContact O-N 2.97Å; A153-T156 PolarHBondContact O-N 2.93Å; A153-R157 PolarHBondContact O-N 3.24Å; A153-R157 VanDerWaalsContact O-N 3.07Å |
| 154 | A | 92.1 | Very high | 88.6 | Confident | 28 Ų | 28 | 60 Ų | 60 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V118 T119 A151 R157 A158 | V118-A154 HydrophobicContact CG1-CB 3.75Å; T119-A154 WeakPolarHBondContact O-CB 3.37Å; A151-A154 PolarHBondContact O-N 3.17Å; A154-R157 PolarHBondContact O-N 3.41Å; A154-A158 WeakPolarHBondContact O-CB 3.49Å; A154-A158 PolarHBondContact O-N 2.96Å |
| 155 | A | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V118 L127 M145 A151 T152 R157 A158 L159 I175 | V118-A155 HydrophobicContact CG1-CB 4.33Å; V118-A155 HydrophobicContact CG2-CB 4.31Å; L127-A155 HydrophobicContact CD1-CB 3.88Å; M145-A155 HydrophobicContact CE-CB 4.07Å; M145-A155 HydrophobicContact SD-CB 4.45Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.01Å; T152-A155 PolarHBondContact O-N 2.9Å; A155-R157 VanDerWaalsContact C-N 3.31Å; A155-R157 PolarHBondContact O-N 2.92Å; A155-A158 PolarHBondContact O-N 3.45Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-L159 VanDerWaalsContact O-CG 3.29Å; A155-L159 WeakPolarHBondContact O-CG 3.27Å; A155-L159 PolarHBondContact O-N 3.27Å; A155-I175 HydrophobicContact CB-CD1 3.82Å |
| 156 | T | 91.9 | Very high | 87.6 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 176 | -57 | 0 | 0 | 0 | 0 | 111.3 | T152 A153 R160 P168 | T152-T156 WeakPolarHBondContact O-CB 3.48Å; T152-T156 PolarHBondContact O-N 3.15Å; T152-T156 PolarHBondContact O-OG1 3.28Å; A153-T156 PolarHBondContact O-N 2.93Å; T156-R160 PolarHBondContact O-N 2.93Å; T156-R160 VanDerWaalsContact O-N 3.15Å; T156-P168 HydrophobicContact CG2-CB 4.19Å; T156-P168 HydrophobicContact CG2-CG 3.79Å; T156-P168 WeakPolarHBondContact O-CG 3.35Å |
| 157 | R | 90.8 | Very high | 87.6 | Confident | 166 Ų | 166 | 66 Ų | 66 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.1 | -47.1 | 176.3 | -174.9 | 176.9 | 175.6 | -175.8 | -1.8 | 111.9 | A153 A154 A155 L159 R160 E161 | A153-R157 PolarHBondContact O-N 3.24Å; A153-R157 VanDerWaalsContact O-N 3.07Å; A154-R157 PolarHBondContact O-N 3.41Å; A155-R157 VanDerWaalsContact C-N 3.31Å; A155-R157 PolarHBondContact O-N 2.92Å; R157-L159 VanDerWaalsContact C-N 3.32Å; R157-L159 PolarHBondContact O-N 3.42Å; R157-R160 PolarHBondContact O-N 2.98Å; R157-R160 VanDerWaalsContact O-N 3.15Å; R157-E161 HydrophobicContact CG-CG 4.45Å; R157-E161 WeakPolarHBondContact CG-OE1 3.24Å; R157-E161 IonicContact CZ-OE1 3.46Å; R157-E161 IonicContact NE-OE1 2.76Å; R157-E161 PolarHBondContact NE-OE1 3.08Å; R157-E161 IonicContact NH2-OE1 3.27Å; R157-E161 PolarHBondContact NH2-OE1 3.36Å; R157-E161 WeakPolarHBondContact O-CG 3.43Å; R157-E161 PolarHBondContact O-N 3.08Å |
| 158 | A | 91.2 | Very high | 87.9 | Confident | 12 Ų | 12 | 63 Ų | 63 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I116 V118 A154 A155 E161 S162 | I116-A158 HydrophobicContact CG2-CB 4.06Å; V118-A158 HydrophobicContact CB-CB 4.41Å; V118-A158 HydrophobicContact CG1-CB 4.49Å; V118-A158 HydrophobicContact CG2-CB 4Å; A154-A158 WeakPolarHBondContact O-CB 3.49Å; A154-A158 PolarHBondContact O-N 2.96Å; A155-A158 PolarHBondContact O-N 3.45Å; A158-E161 PolarHBondContact O-N 3.37Å; A158-S162 PolarHBondContact O-N 2.98Å |
| 159 | L | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 174.7 | -77.3 | 166.5 | 0 | 0 | 0 | 112.1 | L113 I116 L127 A155 R157 S162 P168 I175 V177 | L113-L159 HydrophobicContact CD1-CD2 4.31Å; L113-L159 HydrophobicContact CD2-CD2 4Å; I116-L159 HydrophobicContact CD1-CD2 3.69Å; L127-L159 HydrophobicContact CD2-CD1 4.47Å; L127-L159 HydrophobicContact CD2-CD2 3.93Å; L127-L159 HydrophobicContact CD2-CG 4.34Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-L159 VanDerWaalsContact O-CG 3.29Å; A155-L159 WeakPolarHBondContact O-CG 3.27Å; A155-L159 PolarHBondContact O-N 3.27Å; R157-L159 VanDerWaalsContact C-N 3.32Å; R157-L159 PolarHBondContact O-N 3.42Å; L159-S162 WeakPolarHBondContact O-CB 3.39Å; L159-S162 PolarHBondContact O-N 3.49Å; L159-S162 PolarHBondContact O-OG 2.64Å; L159-P168 HydrophobicContact CB-CB 4.29Å; L159-P168 HydrophobicContact CB-CG 3.92Å; L159-P168 HydrophobicContact CD1-CB 4.28Å; L159-I175 HydrophobicContact CD1-CD1 4.5Å; L159-I175 HydrophobicContact CD1-CG2 4.09Å; L159-V177 HydrophobicContact CD1-CG2 3.99Å |
| 160 | R | 90.3 | Very high | 88.3 | Confident | 140 Ų | 140 | 63.6 Ų | 63.6 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.2 | -37 | 177.2 | -172 | 179.3 | -70.9 | 155.2 | -0.3 | 112.7 | T156 R157 S162 P168 | T156-R160 PolarHBondContact O-N 2.93Å; T156-R160 VanDerWaalsContact O-N 3.15Å; R157-R160 PolarHBondContact O-N 2.98Å; R157-R160 VanDerWaalsContact O-N 3.15Å; R160-S162 VanDerWaalsContact C-N 3.29Å; R160-P168 HydrophobicContact CB-CG 4.42Å |
| 161 | E | 88.4 | Confident | 88.4 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.3 | -10.7 | 177.5 | -69.2 | 175.5 | -176.9 | 0 | 0 | 113 | R157 A158 | R157-E161 HydrophobicContact CG-CG 4.45Å; R157-E161 WeakPolarHBondContact CG-OE1 3.24Å; R157-E161 IonicContact CZ-OE1 3.46Å; R157-E161 IonicContact NE-OE1 2.76Å; R157-E161 PolarHBondContact NE-OE1 3.08Å; R157-E161 IonicContact NH2-OE1 3.27Å; R157-E161 PolarHBondContact NH2-OE1 3.36Å; R157-E161 WeakPolarHBondContact O-CG 3.43Å; R157-E161 PolarHBondContact O-N 3.08Å; A158-E161 PolarHBondContact O-N 3.37Å |
| 162 | S | 85.2 | Confident | 88.3 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -63.3 | 155.4 | 178.5 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | A158 L159 R160 M164 N165 | A158-S162 PolarHBondContact O-N 2.98Å; L159-S162 WeakPolarHBondContact O-CB 3.39Å; L159-S162 PolarHBondContact O-N 3.49Å; L159-S162 PolarHBondContact O-OG 2.64Å; R160-S162 VanDerWaalsContact C-N 3.29Å; S162-M164 PolarHBondContact O-N 3.02Å; S162-N165 PolarHBondContact O-N 3.07Å; S162-N165 VanDerWaalsContact O-N 3.13Å |
| 163 | S | 77.3 | Confident | 88.3 | Confident | 117 Ų | 117 | 66 Ų | 66 | 82% | 0.818 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -7.6 | 178.4 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 164 | M | 76.3 | Confident | 88.3 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.2 | -179.4 | -57.7 | -168.7 | 67 | 0 | 0 | 113.5 | T108 A112 L113 S162 L166 | T108-M164 HydrophobicContact CG2-CE 3.59Å; A112-M164 HydrophobicContact CB-SD 4.34Å; L113-M164 HydrophobicContact CD2-SD 4.02Å; S162-M164 PolarHBondContact O-N 3.02Å; M164-L166 HydrophobicContact CB-CD1 3.93Å; M164-L166 HydrophobicContact CB-CD2 4.4Å; M164-L166 HydrophobicContact CB-CG 3.76Å; M164-L166 HydrophobicContact CE-CD1 4.31Å; M164-L166 PolarHBondContact O-N 3.27Å; M164-L166 HydrophobicContact SD-CD1 4.41Å |
| 165 | N | 77.3 | Confident | 88.4 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 73% | 0.733 | 35% | 0.346 | S | S | * | . | trans | 47.5 | 44.4 | 178 | -60.5 | -56.8 | 0 | 0 | 0 | 113.3 | S162 | S162-N165 PolarHBondContact O-N 3.07Å; S162-N165 VanDerWaalsContact O-N 3.13Å | ||
| 166 | L | 85.3 | Confident | 88.4 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | trans | -84.9 | 154 | -179.9 | -57.1 | 174.5 | 0 | 0 | 0 | 110.2 | L113 M164 P168 V177 | L113-L166 HydrophobicContact CD2-CD1 4.07Å; M164-L166 HydrophobicContact CB-CD1 3.93Å; M164-L166 HydrophobicContact CB-CD2 4.4Å; M164-L166 HydrophobicContact CB-CG 3.76Å; M164-L166 HydrophobicContact CE-CD1 4.31Å; M164-L166 PolarHBondContact O-N 3.27Å; M164-L166 HydrophobicContact SD-CD1 4.41Å; L166-P168 VanDerWaalsContact C-CD 3.5Å; L166-P168 WeakPolarHBondContact O-CD 3.49Å; L166-V177 HydrophobicContact CB-CG1 3.8Å; L166-V177 HydrophobicContact CD1-CG1 3.5Å; L166-V177 VanDerWaalsContact CD1-CG1 3.5Å; L166-V177 HydrophobicContact CG-CG1 4.19Å | ||
| 167 | N | 89.4 | Confident | 88.4 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | trans | -106.9 | 85 | 175.5 | -174 | 34.9 | 0 | 0 | 0 | 111.1 | P178 | N167-P178 WeakPolarHBondContact O-CD 3.49Å; N167-P178 VanDerWaalsContact O-CG 3.26Å; N167-P178 WeakPolarHBondContact O-CG 3.34Å | ||
| 168 | P | 91.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | trans | -69 | 138.8 | 179.2 | 29.2 | -35.8 | 0 | 0 | 0 | 111.9 | T156 L159 R160 L166 I175 K176 V177 | T156-P168 HydrophobicContact CG2-CB 4.19Å; T156-P168 HydrophobicContact CG2-CG 3.79Å; T156-P168 WeakPolarHBondContact O-CG 3.35Å; L159-P168 HydrophobicContact CB-CB 4.29Å; L159-P168 HydrophobicContact CB-CG 3.92Å; L159-P168 HydrophobicContact CD1-CB 4.28Å; R160-P168 HydrophobicContact CB-CG 4.42Å; L166-P168 VanDerWaalsContact C-CD 3.5Å; L166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-I175 HydrophobicContact CB-CG2 3.72Å; P168-K176 CarbonylContact C-O 3.28Å; P168-K176 WeakPolarHBondContact CA-O 3.35Å; P168-V177 HydrophobicContact CB-CG2 4.27Å | ||
| 169 | E | 91.9 | Very high | 88 | Confident | 118 Ų | 118 | 61.6 Ų | 61.6 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.2 | 173 | -177.3 | 177.3 | -161 | 0 | 0 | 108.6 | I175 K176 | E169-I175 CarbonylContact O-C 3.59Å; E169-I175 WeakPolarHBondContact O-CA 3.48Å; E169-K176 PolarHBondContact N-O 3.34Å; E169-K176 PolarHBondContact O-N 3.26Å |
| 170 | A | 91.8 | Very high | 87.6 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T152 I175 | T152-A170 HydrophobicContact CG2-CB 4.36Å; A170-I175 HydrophobicContact CB-CG1 4.45Å |
| 171 | D | 90.5 | Very high | 87.2 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 81.7 | 174.1 | -67.5 | -35.2 | 0 | 0 | 0 | 109.3 | T173 I174 K176 | D171-T173 PolarHBondContact O-N 3.16Å; D171-I174 WeakPolarHBondContact CA-O 3.5Å; D171-I174 PolarHBondContact N-O 3.45Å; D171-I174 PolarHBondContact O-N 3.46Å; D171-K176 WeakPolarHBondContact OD2-CD 3.41Å; D171-K176 WeakPolarHBondContact OD2-CE 3.44Å; D171-K176 IonicContact OD2-NZ 3.08Å; D171-K176 PolarHBondContact OD2-NZ 3.44Å |
| 172 | G | 89.1 | Confident | 86.9 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 66% | 0.66 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -103.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T152 | T152-G172 WeakPolarHBondContact CG2-O 3.45Š|
| 173 | T | 90.1 | Very high | 87.1 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -3.3 | 179.3 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | M145 P149 D171 | M145-T173 PolarHBondContact N-O 3.48Å; P149-T173 HydrophobicContact CB-CG2 4.13Å; D171-T173 PolarHBondContact O-N 3.16Å |
| 174 | I | 92.7 | Very high | 87.7 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 29% | 0.292 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.5 | -177.1 | -59 | 176.2 | 0 | 0 | 0 | 109.1 | M142 D171 | M142-I174 HydrophobicContact CG-CG2 3.33Å; M142-I174 HydrophobicContact SD-CG2 3.69Å; D171-I174 WeakPolarHBondContact CA-O 3.5Å; D171-I174 PolarHBondContact N-O 3.45Å; D171-I174 PolarHBondContact O-N 3.46Å |
| 175 | I | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.7 | 174.6 | -52 | 170.5 | 0 | 0 | 0 | 108.9 | M142 V143 M145 T152 A155 L159 P168 E169 A170 V177 | M142-I175 WeakPolarHBondContact CA-O 3.49Å; V143-I175 HydrophobicContact CB-CB 4.26Å; V143-I175 PolarHBondContact N-O 2.98Å; V143-I175 PolarHBondContact O-N 2.86Å; M145-I175 HydrophobicContact CG-CD1 3.98Å; M145-I175 HydrophobicContact CG-CG1 4.46Å; T152-I175 HydrophobicContact CG2-CD1 3.84Å; T152-I175 HydrophobicContact CG2-CG1 3.73Å; A155-I175 HydrophobicContact CB-CD1 3.82Å; L159-I175 HydrophobicContact CD1-CD1 4.5Å; L159-I175 HydrophobicContact CD1-CG2 4.09Å; P168-I175 HydrophobicContact CB-CG2 3.72Å; E169-I175 CarbonylContact O-C 3.59Å; E169-I175 WeakPolarHBondContact O-CA 3.48Å; A170-I175 HydrophobicContact CB-CG1 4.45Å; I175-V177 HydrophobicContact CG2-CG2 4.18Å |
| 176 | K | 92.6 | Very high | 88.9 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.3 | 172.2 | -67.1 | 171.9 | -179.2 | 158.6 | 0 | 109.3 | V140 P168 E169 D171 P178 | V140-K176 HydrophobicContact CG1-CB 4.44Å; P168-K176 CarbonylContact C-O 3.28Å; P168-K176 WeakPolarHBondContact CA-O 3.35Å; E169-K176 PolarHBondContact N-O 3.34Å; E169-K176 PolarHBondContact O-N 3.26Å; D171-K176 WeakPolarHBondContact OD2-CD 3.41Å; D171-K176 WeakPolarHBondContact OD2-CE 3.44Å; D171-K176 IonicContact OD2-NZ 3.08Å; D171-K176 PolarHBondContact OD2-NZ 3.44Å; K176-P178 WeakPolarHBondContact O-CD 3.41Å |
| 177 | V | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 99.1 | 177.9 | -171 | 0 | 0 | 0 | 0 | 108.4 | I141 V143 L159 L166 P168 I175 V179 | I141-V177 HydrophobicContact CB-CB 4.34Å; I141-V177 PolarHBondContact N-O 3.46Å; I141-V177 PolarHBondContact O-N 3.21Å; V143-V177 HydrophobicContact CG2-CG2 4.4Å; L159-V177 HydrophobicContact CD1-CG2 3.99Å; L166-V177 HydrophobicContact CB-CG1 3.8Å; L166-V177 HydrophobicContact CD1-CG1 3.5Å; L166-V177 VanDerWaalsContact CD1-CG1 3.5Å; L166-V177 HydrophobicContact CG-CG1 4.19Å; P168-V177 HydrophobicContact CB-CG2 4.27Å; I175-V177 HydrophobicContact CG2-CG2 4.18Å; V177-V179 PolarHBondContact O-N 3.07Å |
| 178 | P | 88.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 124.6 | 173.2 | 28.2 | -31.9 | 0 | 0 | 0 | 110 | Q139 N167 K176 | Q139-P178 CarbonylContact O-C 3.46Å; Q139-P178 WeakPolarHBondContact O-CA 3.14Å; N167-P178 WeakPolarHBondContact O-CD 3.49Å; N167-P178 VanDerWaalsContact O-CG 3.26Å; N167-P178 WeakPolarHBondContact O-CG 3.34Å; K176-P178 WeakPolarHBondContact O-CD 3.41Å |
| 179 | V | 85.9 | Confident | 89.3 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 121.8 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | T108 Q139 I141 V177 | T108-V179 HydrophobicContact CG2-CG2 4.29Å; T108-V179 VanDerWaalsContact OG1-CG1 3.32Å; T108-V179 WeakPolarHBondContact OG1-CG1 3.42Å; Q139-V179 PolarHBondContact O-N 2.79Å; I141-V179 HydrophobicContact CD1-CG2 3.81Å; I141-V179 HydrophobicContact CG1-CG2 4.15Å; V177-V179 PolarHBondContact O-N 3.07Å |
| 180 | P | 81.6 | Confident | 89.3 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 147.6 | 175.6 | -24.5 | 33.9 | 0 | 0 | 0 | 112.2 | V182 | P180-V182 PolarHBondContact O-N 2.94Š|
| 181 | K | 81.7 | Confident | 89.4 | Confident | 160 Ų | 160 | 69.1 Ų | 69.1 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 130.5 | 174.4 | -63.6 | -176.3 | -174.3 | 179.7 | 0 | 109.6 | T183 | K181-T183 PolarHBondContact O-N 3.05Š|
| 182 | V | 82.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 121.1 | 171.9 | -73.7 | 0 | 0 | 0 | 0 | 110.5 | I106 P180 | I106-V182 HydrophobicContact CG2-CB 4.41Å; I106-V182 HydrophobicContact CG2-CG1 4.2Å; I106-V182 HydrophobicContact CG2-CG2 3.76Å; P180-V182 PolarHBondContact O-N 2.94Å |
| 183 | T | 88.8 | Confident | 89.9 | Confident | 80 Ų | 80 | 71.9 Ų | 71.9 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 159.7 | 175.2 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | K181 E185 H186 R187 | K181-T183 PolarHBondContact O-N 3.05Å; T183-E185 VanDerWaalsContact C-N 3.28Å; T183-E185 PolarHBondContact O-N 2.65Å; T183-H186 PolarHBondContact O-N 3.29Å; T183-H186 PolarHBondContact OG1-N 3.46Å; T183-R187 PolarHBondContact O-N 3.34Å |
| 184 | R | 89.7 | Confident | 90.2 | Very high | 193 Ų | 193 | 69 Ų | 69 | 73% | 0.728 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.1 | -41.4 | 175.4 | -178.8 | 177.6 | 171.1 | 164.8 | 3.7 | 111.8 | H186 R187 E188 | R184-H186 VanDerWaalsContact C-N 3.28Å; R184-H186 PolarHBondContact O-N 2.97Å; R184-R187 WeakPolarHBondContact O-CB 3.42Å; R184-R187 PolarHBondContact O-N 3Å; R184-R187 VanDerWaalsContact O-N 3.15Å; R184-E188 HydrophobicContact CG-CG 4.47Å; R184-E188 IonicContact CZ-OE1 3.69Å; R184-E188 IonicContact NE-OE1 2.6Å; R184-E188 PolarHBondContact NE-OE1 2.87Å; R184-E188 IonicContact NH2-OE1 2.91Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.02Å |
| 185 | E | 90 | Very high | 90.3 | Very high | 142 Ų | 142 | 72.1 Ų | 72.1 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58 | -40.9 | 177 | -62.2 | 177.3 | -179.1 | 0 | 0 | 112 | T183 E188 N189 | T183-E185 VanDerWaalsContact C-N 3.28Å; T183-E185 PolarHBondContact O-N 2.65Å; E185-E188 PolarHBondContact O-N 3.44Å; E185-N189 VanDerWaalsContact O-CG 3.23Å; E185-N189 PolarHBondContact O-N 2.94Å; E185-N189 PolarHBondContact O-ND2 3.22Å |
| 186 | H | 88.9 | Confident | 90.5 | Very high | 87 Ų | 87 | 77.1 Ų | 77.1 | 40% | 0.403 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.4 | -173.2 | 67.7 | 0 | 0 | 0 | 111.8 | T183 R184 E188 N189 L190 | T183-H186 PolarHBondContact O-N 3.29Å; T183-H186 PolarHBondContact OG1-N 3.46Å; R184-H186 VanDerWaalsContact C-N 3.28Å; R184-H186 PolarHBondContact O-N 2.97Å; H186-E188 VanDerWaalsContact C-N 3.33Å; H186-E188 PolarHBondContact O-N 2.84Å; H186-N189 PolarHBondContact O-N 3.02Å; H186-L190 WeakPolarHBondContact O-CG 3.31Å; H186-L190 PolarHBondContact O-N 2.97Å |
| 187 | R | 90.7 | Very high | 90.6 | Very high | 70 Ų | 70 | 75.5 Ų | 75.5 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.1 | -65.6 | 179.1 | 177 | -150.1 | 0.6 | 112.2 | I106 T183 R184 N189 L190 A191 L257 L258 G259 | I106-R187 HydrophobicContact CD1-CG 4.1Å; T183-R187 PolarHBondContact O-N 3.34Å; R184-R187 WeakPolarHBondContact O-CB 3.42Å; R184-R187 PolarHBondContact O-N 3Å; R184-R187 VanDerWaalsContact O-N 3.15Å; R187-N189 VanDerWaalsContact C-N 3.33Å; R187-N189 PolarHBondContact O-N 2.88Å; R187-L190 PolarHBondContact O-N 3.4Å; R187-A191 PolarHBondContact O-N 2.82Å; R187-L257 WeakPolarHBondContact CD-O 3.45Å; R187-L258 HydrophobicContact CB-CD2 4.39Å; R187-G259 PolarHBondContact NH1-OXT 3.45Å |
| 188 | E | 92.2 | Very high | 90.9 | Very high | 71 Ų | 71 | 75.5 Ų | 75.5 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 176.1 | -71.2 | 177.1 | -171.9 | 0 | 0 | 111.9 | R184 E185 H186 A191 K192 L258 | R184-E188 HydrophobicContact CG-CG 4.47Å; R184-E188 IonicContact CZ-OE1 3.69Å; R184-E188 IonicContact NE-OE1 2.6Å; R184-E188 PolarHBondContact NE-OE1 2.87Å; R184-E188 IonicContact NH2-OE1 2.91Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.02Å; E185-E188 PolarHBondContact O-N 3.44Å; H186-E188 VanDerWaalsContact C-N 3.33Å; H186-E188 PolarHBondContact O-N 2.84Å; E188-A191 PolarHBondContact O-N 2.81Å; E188-K192 WeakPolarHBondContact O-CG 3.33Å; E188-K192 PolarHBondContact O-N 3.08Å; E188-L258 HydrophobicContact CG-CD2 4.35Å |
| 189 | N | 92.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 76.5 Ų | 76.5 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 174.5 | -69.4 | -23.6 | 0 | 0 | 0 | 112.2 | E185 H186 R187 A191 K192 L193 | E185-N189 VanDerWaalsContact O-CG 3.23Å; E185-N189 PolarHBondContact O-N 2.94Å; E185-N189 PolarHBondContact O-ND2 3.22Å; H186-N189 PolarHBondContact O-N 3.02Å; R187-N189 VanDerWaalsContact C-N 3.33Å; R187-N189 PolarHBondContact O-N 2.88Å; N189-A191 VanDerWaalsContact C-N 3.32Å; N189-A191 PolarHBondContact O-N 3.41Å; N189-K192 WeakPolarHBondContact O-CB 3.3Å; N189-K192 PolarHBondContact O-N 3.27Å; N189-K192 PolarHBondContact OD1-NZ 3.44Å; N189-L193 WeakPolarHBondContact O-CG 3.37Å; N189-L193 PolarHBondContact O-N 3.42Å |
| 190 | L | 92.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 81.6 Ų | 81.6 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 172.6 | -67.1 | 176.7 | 0 | 0 | 0 | 111.7 | L104 I106 H186 R187 K192 L193 A194 L257 | L104-L190 HydrophobicContact CD2-CD2 4.47Å; L104-L190 WeakPolarHBondContact CD2-O 3.44Å; I106-L190 HydrophobicContact CG1-CD1 3.68Å; H186-L190 WeakPolarHBondContact O-CG 3.31Å; H186-L190 PolarHBondContact O-N 2.97Å; R187-L190 PolarHBondContact O-N 3.4Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.3Å; L190-L193 HydrophobicContact CD2-CD1 4.4Å; L190-L193 WeakPolarHBondContact O-CB 3.26Å; L190-L193 PolarHBondContact O-N 2.99Å; L190-A194 PolarHBondContact O-N 3.44Å; L190-L257 HydrophobicContact CB-CD1 4.03Å; L190-L257 HydrophobicContact CB-CD2 4.09Å; L190-L257 HydrophobicContact CD1-CD2 4.12Å |
| 191 | A | 93.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 77.8 Ų | 77.8 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R187 E188 N189 A194 K195 L257 L258 | R187-A191 PolarHBondContact O-N 2.82Å; E188-A191 PolarHBondContact O-N 2.81Å; N189-A191 VanDerWaalsContact C-N 3.32Å; N189-A191 PolarHBondContact O-N 3.41Å; A191-A194 PolarHBondContact O-N 2.68Å; A191-K195 PolarHBondContact O-N 3.46Å; A191-L257 HydrophobicContact CB-CD1 4.45Å; A191-L258 HydrophobicContact CB-CD2 4.46Å |
| 192 | K | 94.3 | Very high | 93.3 | Very high | 123 Ų | 123 | 72.7 Ų | 72.7 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 172.7 | -68.8 | 168.6 | -169 | 164.4 | 0 | 111.5 | E188 N189 L190 K195 Q196 | E188-K192 WeakPolarHBondContact O-CG 3.33Å; E188-K192 PolarHBondContact O-N 3.08Å; N189-K192 WeakPolarHBondContact O-CB 3.3Å; N189-K192 PolarHBondContact O-N 3.27Å; N189-K192 PolarHBondContact OD1-NZ 3.44Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.3Å; K192-K195 WeakPolarHBondContact O-CB 3.47Å; K192-K195 PolarHBondContact O-N 3.35Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 2.98Å; K192-Q196 VanDerWaalsContact O-N 3.11Å |
| 193 | L | 94.9 | Very high | 94 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.1 | -69.3 | 174 | 0 | 0 | 0 | 111.8 | L104 N189 L190 K195 Q196 F197 | L104-L193 HydrophobicContact CD2-CB 4.02Å; N189-L193 WeakPolarHBondContact O-CG 3.37Å; N189-L193 PolarHBondContact O-N 3.42Å; L190-L193 HydrophobicContact CD2-CD1 4.4Å; L190-L193 WeakPolarHBondContact O-CB 3.26Å; L190-L193 PolarHBondContact O-N 2.99Å; L193-K195 PolarHBondContact O-N 3.04Å; L193-Q196 WeakPolarHBondContact O-CB 3.39Å; L193-Q196 PolarHBondContact O-N 2.85Å; L193-F197 HydrophobicContact CB-CE2 4.36Å; L193-F197 WeakPolarHBondContact O-CD2 3.48Å; L193-F197 PolarHBondContact O-N 3.42Å |
| 194 | A | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F100 L104 L190 A191 F197 S198 L257 | F100-A194 HydrophobicContact CE1-CB 4.38Å; L104-A194 HydrophobicContact CD1-CB 3.47Å; L104-A194 VanDerWaalsContact CD1-CB 3.47Å; L104-A194 HydrophobicContact CD2-CB 4.23Å; L190-A194 PolarHBondContact O-N 3.44Å; A191-A194 PolarHBondContact O-N 2.68Å; A194-F197 PolarHBondContact O-N 2.98Å; A194-S198 WeakPolarHBondContact O-CB 3.41Å; A194-S198 PolarHBondContact O-N 2.96Å; A194-S198 PolarHBondContact O-OG 3.37Å; A194-L257 HydrophobicContact CB-CD1 4.32Å |
| 195 | K | 95.9 | Very high | 94.8 | Very high | 123 Ų | 123 | 63.3 Ų | 63.3 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.7 | -166.7 | 117 | -177.2 | 178.5 | 0 | 111.9 | A191 K192 L193 S198 N199 L250 | A191-K195 PolarHBondContact O-N 3.46Å; K192-K195 WeakPolarHBondContact O-CB 3.47Å; K192-K195 PolarHBondContact O-N 3.35Å; L193-K195 PolarHBondContact O-N 3.04Å; K195-S198 PolarHBondContact O-N 2.85Å; K195-N199 VanDerWaalsContact O-CG 3.26Å; K195-N199 PolarHBondContact O-N 3.39Å; K195-N199 PolarHBondContact O-ND2 2.92Å; K195-L250 HydrophobicContact CD-CD1 4.38Å |
| 196 | Q | 96.6 | Very high | 95 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.5 | -68.6 | 178.1 | -6.2 | 0 | 0 | 111.9 | K192 L193 S198 N199 K200 | K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 2.98Å; K192-Q196 VanDerWaalsContact O-N 3.11Å; L193-Q196 WeakPolarHBondContact O-CB 3.39Å; L193-Q196 PolarHBondContact O-N 2.85Å; Q196-S198 VanDerWaalsContact C-N 3.33Å; Q196-S198 PolarHBondContact O-N 2.91Å; Q196-N199 PolarHBondContact O-N 3.03Å; Q196-K200 WeakPolarHBondContact O-CG 3.41Å; Q196-K200 PolarHBondContact O-N 3.21Å |
| 197 | F | 96.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 176.4 | -69.7 | -56.5 | 0 | 0 | 0 | 112.4 | E99 F100 N103 L193 A194 N199 K200 A201 | E99-F197 HydrophobicContact CB-CD1 4.45Å; F100-F197 HydrophobicContact CD1-CB 4.44Å; F100-F197 HydrophobicContact CE1-CB 3.95Å; N103-F197 HydrophobicContact CB-CE2 3.89Å; N103-F197 HydrophobicContact CB-CZ 4.14Å; L193-F197 HydrophobicContact CB-CE2 4.36Å; L193-F197 WeakPolarHBondContact O-CD2 3.48Å; L193-F197 PolarHBondContact O-N 3.42Å; A194-F197 PolarHBondContact O-N 2.98Å; F197-N199 VanDerWaalsContact C-N 3.33Å; F197-N199 PolarHBondContact O-N 3.47Å; F197-K200 HydrophobicContact CD1-CD 4.47Å; F197-K200 WeakPolarHBondContact O-CB 3.29Å; F197-K200 PolarHBondContact O-N 3.44Å; F197-A201 PolarHBondContact O-N 3.22Å |
| 198 | S | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | F100 A194 K195 Q196 A201 K202 L250 | F100-S198 WeakPolarHBondContact CZ-OG 3.27Å; A194-S198 WeakPolarHBondContact O-CB 3.41Å; A194-S198 PolarHBondContact O-N 2.96Å; A194-S198 PolarHBondContact O-OG 3.37Å; K195-S198 PolarHBondContact O-N 2.85Å; Q196-S198 VanDerWaalsContact C-N 3.33Å; Q196-S198 PolarHBondContact O-N 2.91Å; S198-A201 PolarHBondContact O-N 3.17Å; S198-K202 WeakPolarHBondContact O-CG 3.43Å; S198-K202 PolarHBondContact O-N 2.98Å; S198-L250 WeakPolarHBondContact OG-CD1 3.5Å |
| 199 | N | 96.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.2 | -68.9 | -19.3 | 0 | 0 | 0 | 111.4 | K195 Q196 F197 A201 K202 D203 | K195-N199 VanDerWaalsContact O-CG 3.26Å; K195-N199 PolarHBondContact O-N 3.39Å; K195-N199 PolarHBondContact O-ND2 2.92Å; Q196-N199 PolarHBondContact O-N 3.03Å; F197-N199 VanDerWaalsContact C-N 3.33Å; F197-N199 PolarHBondContact O-N 3.47Å; N199-A201 VanDerWaalsContact C-N 3.35Å; N199-A201 PolarHBondContact O-N 3.01Å; N199-K202 PolarHBondContact O-N 2.96Å; N199-D203 PolarHBondContact O-N 3.24Å |
| 200 | K | 96.9 | Very high | 96 | Very high | 129 Ų | 129 | 65 Ų | 65 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.4 | -44.9 | 175.1 | -70.7 | 177.5 | 179.2 | 179.5 | 0 | 111.8 | Q196 F197 D203 S204 | Q196-K200 WeakPolarHBondContact O-CG 3.41Å; Q196-K200 PolarHBondContact O-N 3.21Å; F197-K200 HydrophobicContact CD1-CD 4.47Å; F197-K200 WeakPolarHBondContact O-CB 3.29Å; F197-K200 PolarHBondContact O-N 3.44Å; K200-D203 PolarHBondContact O-N 3.07Å; K200-S204 PolarHBondContact O-N 2.88Å; K200-S204 PolarHBondContact O-OG 2.94Å |
| 201 | A | 97.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V92 L96 F197 S198 N199 D203 S204 L205 I246 | V92-A201 HydrophobicContact CG1-CB 4.07Å; V92-A201 WeakPolarHBondContact CG1-O 3.5Å; L96-A201 HydrophobicContact CB-CB 4.12Å; L96-A201 HydrophobicContact CD1-CB 3.32Å; L96-A201 HydrophobicContact CG-CB 4.32Å; F197-A201 PolarHBondContact O-N 3.22Å; S198-A201 PolarHBondContact O-N 3.17Å; N199-A201 VanDerWaalsContact C-N 3.35Å; N199-A201 PolarHBondContact O-N 3.01Å; A201-D203 VanDerWaalsContact C-N 3.3Å; A201-D203 PolarHBondContact O-N 3.31Å; A201-S204 PolarHBondContact O-N 3.04Å; A201-L205 WeakPolarHBondContact O-CB 3.33Å; A201-L205 PolarHBondContact O-N 3.26Å; A201-I246 HydrophobicContact CB-CD1 4.29Å |
| 202 | K | 96.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 24% | 0.235 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 173.4 | -73.9 | -178 | -179.8 | -167.6 | 0 | 112.3 | S198 N199 L205 R206 I246 D247 | S198-K202 WeakPolarHBondContact O-CG 3.43Å; S198-K202 PolarHBondContact O-N 2.98Å; N199-K202 PolarHBondContact O-N 2.96Å; K202-L205 PolarHBondContact O-N 2.87Å; K202-R206 VanDerWaalsContact O-CG 3.26Å; K202-R206 WeakPolarHBondContact O-CG 3.22Å; K202-R206 PolarHBondContact O-N 3.04Å; K202-I246 HydrophobicContact CG-CD1 4.19Å; K202-I246 HydrophobicContact CG-CG2 4.27Å; K202-D247 VanDerWaalsContact CE-OD1 3.31Å; K202-D247 WeakPolarHBondContact CE-OD1 3.26Å; K202-D247 IonicContact NZ-OD1 3.84Å; K202-D247 PolarHBondContact NZ-OD1 3.43Å; K202-D247 IonicContact NZ-OD2 3.9Å; K202-D247 PolarHBondContact NZ-OD2 3.41Å; K202-D247 VanDerWaalsContact NZ-OD2 3.08Å |
| 203 | D | 97.6 | Very high | 96 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 175.2 | -70 | -26.8 | 0 | 0 | 0 | 111.8 | N199 K200 A201 R206 R207 | N199-D203 PolarHBondContact O-N 3.24Å; K200-D203 PolarHBondContact O-N 3.07Å; A201-D203 VanDerWaalsContact C-N 3.3Å; A201-D203 PolarHBondContact O-N 3.31Å; D203-R206 WeakPolarHBondContact O-CB 3.47Å; D203-R206 PolarHBondContact O-N 3.17Å; D203-R206 IonicContact OD1-CZ 3.98Å; D203-R206 IonicContact OD1-NH1 2.64Å; D203-R206 PolarHBondContact OD1-NH1 3.43Å; D203-R207 WeakPolarHBondContact O-CG 3.46Å; D203-R207 PolarHBondContact O-N 3.43Å; D203-R207 VanDerWaalsContact O-N 3.07Å |
| 204 | S | 97.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 171 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | K200 A201 R206 R207 V208 | K200-S204 PolarHBondContact O-N 2.88Å; K200-S204 PolarHBondContact O-OG 2.94Å; A201-S204 PolarHBondContact O-N 3.04Å; S204-R206 VanDerWaalsContact C-N 3.29Å; S204-R206 PolarHBondContact O-N 3.19Å; S204-R207 WeakPolarHBondContact O-CB 3.4Å; S204-R207 PolarHBondContact O-N 3.2Å; S204-V208 PolarHBondContact O-N 3Å |
| 205 | L | 97.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 175.3 | 179.6 | 64.2 | 0 | 0 | 0 | 111.9 | M89 A201 K202 R207 V208 R209 I242 A243 I246 | M89-L205 HydrophobicContact CB-CD1 4.22Å; M89-L205 HydrophobicContact CE-CD1 4.43Å; M89-L205 HydrophobicContact CG-CD1 3.72Å; M89-L205 HydrophobicContact SD-CD1 4.02Å; A201-L205 WeakPolarHBondContact O-CB 3.33Å; A201-L205 PolarHBondContact O-N 3.26Å; K202-L205 PolarHBondContact O-N 2.87Å; L205-R207 VanDerWaalsContact C-N 3.32Å; L205-R207 PolarHBondContact O-N 2.89Å; L205-V208 PolarHBondContact O-N 2.93Å; L205-R209 WeakPolarHBondContact O-CB 3.39Å; L205-R209 PolarHBondContact O-N 2.93Å; L205-I242 HydrophobicContact CD1-CB 4.26Å; L205-I242 HydrophobicContact CD1-CG2 3.87Å; L205-I242 HydrophobicContact CD2-CB 4.3Å; L205-I242 HydrophobicContact CD2-CG2 3.98Å; L205-A243 HydrophobicContact CD2-CB 4.07Å; L205-I246 HydrophobicContact CD2-CD1 4.16Å |
| 206 | R | 96.1 | Very high | 95.4 | Very high | 144 Ų | 144 | 62.3 Ų | 62.3 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 175.2 | -74.1 | 166.3 | 176.8 | 175.6 | -6.1 | 112.2 | K202 D203 S204 S210 | K202-R206 VanDerWaalsContact O-CG 3.26Å; K202-R206 WeakPolarHBondContact O-CG 3.22Å; K202-R206 PolarHBondContact O-N 3.04Å; D203-R206 WeakPolarHBondContact O-CB 3.47Å; D203-R206 PolarHBondContact O-N 3.17Å; D203-R206 IonicContact OD1-CZ 3.98Å; D203-R206 IonicContact OD1-NH1 2.64Å; D203-R206 PolarHBondContact OD1-NH1 3.43Å; S204-R206 VanDerWaalsContact C-N 3.29Å; S204-R206 PolarHBondContact O-N 3.19Å; R206-S210 VanDerWaalsContact O-CB 3.3Å; R206-S210 WeakPolarHBondContact O-CB 3.33Å; R206-S210 PolarHBondContact O-N 3.27Å; R206-S210 PolarHBondContact O-OG 3.27Å |
| 207 | R | 97 | Very high | 95 | Very high | 174 Ų | 174 | 62.5 Ų | 62.5 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -50.9 | 176.2 | -68.3 | 173 | -170.3 | -173 | 2.2 | 110.7 | D203 S204 L205 R209 S210 N211 | D203-R207 WeakPolarHBondContact O-CG 3.46Å; D203-R207 PolarHBondContact O-N 3.43Å; D203-R207 VanDerWaalsContact O-N 3.07Å; S204-R207 WeakPolarHBondContact O-CB 3.4Å; S204-R207 PolarHBondContact O-N 3.2Å; L205-R207 VanDerWaalsContact C-N 3.32Å; L205-R207 PolarHBondContact O-N 2.89Å; R207-R209 PolarHBondContact O-N 2.98Å; R207-S210 PolarHBondContact O-N 3.01Å; R207-S210 VanDerWaalsContact O-N 3.15Å; R207-N211 WeakPolarHBondContact O-CB 3.37Å; R207-N211 PolarHBondContact O-N 3.03Å; R207-N211 PolarHBondContact O-OD1 3.19Å |
| 208 | V | 95.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.9 | -53.6 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | D88 M89 V92 S204 L205 S210 N211 S212 | D88-V208 HydrophobicContact CB-CG1 3.84Å; D88-V208 HydrophobicContact CB-CG2 4.48Å; M89-V208 HydrophobicContact CG-CG1 4.04Å; V92-V208 HydrophobicContact CG2-CG2 4.34Å; S204-V208 PolarHBondContact O-N 3Å; L205-V208 PolarHBondContact O-N 2.93Å; V208-S210 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 2.95Å; V208-N211 WeakPolarHBondContact O-CB 3.5Å; V208-N211 PolarHBondContact O-N 2.77Å; V208-N211 VanDerWaalsContact O-N 3.15Å; V208-S212 PolarHBondContact O-N 3.49Å; V208-S212 PolarHBondContact O-OG 3.09Å |
| 209 | R | 95.8 | Very high | 94 | Very high | 80 Ų | 80 | 70 Ų | 70 | 30% | 0.302 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 178 | -170.6 | -164.4 | 63.5 | 163.3 | -3 | 112.7 | M89 L205 R207 N211 S212 V213 I235 A239 | M89-R209 HydrophobicContact CE-CB 4.42Å; L205-R209 WeakPolarHBondContact O-CB 3.39Å; L205-R209 PolarHBondContact O-N 2.93Å; R207-R209 PolarHBondContact O-N 2.98Å; R209-N211 VanDerWaalsContact C-N 3.33Å; R209-S212 PolarHBondContact O-N 2.82Å; R209-V213 HydrophobicContact CG-CG2 4.49Å; R209-V213 WeakPolarHBondContact O-CB 3.38Å; R209-V213 VanDerWaalsContact O-CG2 3.27Å; R209-V213 WeakPolarHBondContact O-CG2 3.39Å; R209-V213 PolarHBondContact O-N 3.12Å; R209-I235 HydrophobicContact CG-CG2 3.85Å; R209-A239 HydrophobicContact CG-CB 4.22Å |
| 210 | S | 96.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 70.8 Ų | 70.8 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | -179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | R206 R207 V208 S214 | R206-S210 VanDerWaalsContact O-CB 3.3Å; R206-S210 WeakPolarHBondContact O-CB 3.33Å; R206-S210 PolarHBondContact O-N 3.27Å; R206-S210 PolarHBondContact O-OG 3.27Å; R207-S210 PolarHBondContact O-N 3.01Å; R207-S210 VanDerWaalsContact O-N 3.15Å; V208-S210 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 2.95Å; S210-S214 WeakPolarHBondContact O-CB 3.32Å; S210-S214 PolarHBondContact O-N 3Å |
| 211 | N | 94.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 74.1 Ų | 74.1 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 175.8 | -67.9 | -10.6 | 0 | 0 | 0 | 110.7 | R207 V208 R209 V213 S214 Q215 | R207-N211 WeakPolarHBondContact O-CB 3.37Å; R207-N211 PolarHBondContact O-N 3.03Å; R207-N211 PolarHBondContact O-OD1 3.19Å; V208-N211 WeakPolarHBondContact O-CB 3.5Å; V208-N211 PolarHBondContact O-N 2.77Å; V208-N211 VanDerWaalsContact O-N 3.15Å; R209-N211 VanDerWaalsContact C-N 3.33Å; N211-V213 PolarHBondContact O-N 2.98Å; N211-S214 WeakPolarHBondContact O-CB 3.48Å; N211-S214 PolarHBondContact O-N 2.82Å; N211-S214 VanDerWaalsContact O-N 3.11Å; N211-S214 PolarHBondContact O-OG 3.45Å; N211-Q215 PolarHBondContact O-N 3.22Å |
| 212 | S | 93.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 177.1 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | I80 V208 R209 S214 Q215 V216 | I80-S212 WeakPolarHBondContact CD1-O 3.4Å; V208-S212 PolarHBondContact O-N 3.49Å; V208-S212 PolarHBondContact O-OG 3.09Å; R209-S212 PolarHBondContact O-N 2.82Å; S212-S214 VanDerWaalsContact C-N 3.29Å; S212-S214 PolarHBondContact O-N 2.79Å; S212-Q215 WeakPolarHBondContact O-CB 3.47Å; S212-Q215 PolarHBondContact O-N 3.18Å; S212-V216 WeakPolarHBondContact O-CG2 3.14Å; S212-V216 PolarHBondContact O-N 3.03Å |
| 213 | V | 92.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 77.9 Ų | 77.9 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | R209 N211 Q215 V216 K217 I235 | R209-V213 HydrophobicContact CG-CG2 4.49Å; R209-V213 WeakPolarHBondContact O-CB 3.38Å; R209-V213 VanDerWaalsContact O-CG2 3.27Å; R209-V213 WeakPolarHBondContact O-CG2 3.39Å; R209-V213 PolarHBondContact O-N 3.12Å; N211-V213 PolarHBondContact O-N 2.98Å; V213-Q215 VanDerWaalsContact C-N 3.34Å; V213-V216 PolarHBondContact O-N 2.88Å; V213-K217 HydrophobicContact CG1-CD 4.13Å; V213-K217 HydrophobicContact CG1-CG 4.5Å; V213-K217 WeakPolarHBondContact O-CB 3.4Å; V213-K217 VanDerWaalsContact O-CG 3.27Å; V213-K217 WeakPolarHBondContact O-CG 3.45Å; V213-K217 PolarHBondContact O-N 3.33Å; V213-I235 HydrophobicContact CG2-CG2 4.23Å |
| 214 | S | 93.2 | Very high | 90.1 | Very high | 48 Ų | 48 | 77.7 Ų | 77.7 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 176.7 | 78.6 | 0 | 0 | 0 | 0 | 112.6 | S210 N211 S212 K217 K218 | S210-S214 WeakPolarHBondContact O-CB 3.32Å; S210-S214 PolarHBondContact O-N 3Å; N211-S214 WeakPolarHBondContact O-CB 3.48Å; N211-S214 PolarHBondContact O-N 2.82Å; N211-S214 VanDerWaalsContact O-N 3.11Å; N211-S214 PolarHBondContact O-OG 3.45Å; S212-S214 VanDerWaalsContact C-N 3.29Å; S212-S214 PolarHBondContact O-N 2.79Å; S214-K217 PolarHBondContact O-N 2.92Å; S214-K218 WeakPolarHBondContact O-CG 3.44Å; S214-K218 PolarHBondContact O-N 3.13Å |
| 215 | Q | 90.6 | Very high | 89.6 | Confident | 102 Ų | 102 | 80.9 Ų | 80.9 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 174.7 | -75 | 170.8 | -14 | 0 | 0 | 111 | I80 N211 S212 V213 K217 K218 A219 | I80-Q215 HydrophobicContact CD1-CB 3.51Å; I80-Q215 HydrophobicContact CG1-CB 4.35Å; N211-Q215 PolarHBondContact O-N 3.22Å; S212-Q215 WeakPolarHBondContact O-CB 3.47Å; S212-Q215 PolarHBondContact O-N 3.18Å; V213-Q215 VanDerWaalsContact C-N 3.34Å; Q215-K217 PolarHBondContact O-N 3.09Å; Q215-K218 WeakPolarHBondContact O-CB 3.5Å; Q215-K218 PolarHBondContact O-N 3.12Å; Q215-A219 PolarHBondContact O-N 3.25Å |
| 216 | V | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.1 | -40.6 | 174.1 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | I80 S212 V213 K218 A219 I228 V231 E232 I235 | I80-V216 HydrophobicContact CD1-CB 4.24Å; I80-V216 HydrophobicContact CD1-CG2 3.32Å; S212-V216 WeakPolarHBondContact O-CG2 3.14Å; S212-V216 PolarHBondContact O-N 3.03Å; V213-V216 PolarHBondContact O-N 2.88Å; V216-K218 VanDerWaalsContact C-N 3.32Å; V216-K218 PolarHBondContact O-N 2.86Å; V216-A219 PolarHBondContact O-N 3.32Å; V216-I228 HydrophobicContact CG1-CB 4.47Å; V216-I228 HydrophobicContact CG1-CG2 3.69Å; V216-V231 HydrophobicContact CG1-CB 4.48Å; V216-V231 HydrophobicContact CG1-CG1 4.37Å; V216-V231 HydrophobicContact CG2-CG1 3.77Å; V216-E232 HydrophobicContact CG1-CG 4.22Å; V216-I235 HydrophobicContact CG2-CD1 3.69Å |
| 217 | K | 88.2 | Confident | 88.6 | Confident | 110 Ų | 110 | 80.2 Ų | 80.2 | 48% | 0.478 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.4 | -29.1 | 178.9 | -74.6 | 176.1 | -179.8 | -179.8 | 0 | 113.7 | V213 S214 Q215 K220 E232 | V213-K217 HydrophobicContact CG1-CD 4.13Å; V213-K217 HydrophobicContact CG1-CG 4.5Å; V213-K217 WeakPolarHBondContact O-CB 3.4Å; V213-K217 VanDerWaalsContact O-CG 3.27Å; V213-K217 WeakPolarHBondContact O-CG 3.45Å; V213-K217 PolarHBondContact O-N 3.33Å; S214-K217 PolarHBondContact O-N 2.92Å; Q215-K217 PolarHBondContact O-N 3.09Å; K217-K220 HydrophobicContact CB-CD 4.31Å; K217-K220 HydrophobicContact CG-CD 4.38Å; K217-K220 VanDerWaalsContact O-CB 3.28Å; K217-K220 WeakPolarHBondContact O-CB 3.38Å; K217-K220 WeakPolarHBondContact O-CD 3.4Å; K217-K220 VanDerWaalsContact O-CG 3.25Å; K217-K220 WeakPolarHBondContact O-CG 3.22Å; K217-K220 PolarHBondContact O-N 2.89Å; K217-E232 WeakPolarHBondContact CE-OE1 3.45Å |
| 218 | K | 88.6 | Confident | 88.2 | Confident | 165 Ų | 165 | 72 Ų | 72 | 72% | 0.717 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72.8 | -33.1 | 175.3 | -71.2 | 172.4 | -177.9 | -178.5 | 0 | 111.8 | S214 Q215 V216 K220 | S214-K218 WeakPolarHBondContact O-CG 3.44Å; S214-K218 PolarHBondContact O-N 3.13Å; Q215-K218 WeakPolarHBondContact O-CB 3.5Å; Q215-K218 PolarHBondContact O-N 3.12Å; V216-K218 VanDerWaalsContact C-N 3.32Å; V216-K218 PolarHBondContact O-N 2.86Å; K218-K220 PolarHBondContact O-N 3.44Å; K218-K220 VanDerWaalsContact O-N 3.16Å |
| 219 | A | 83.8 | Confident | 87.8 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 24% | 0.24 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -73.2 | 2.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I79 Q215 V216 E221 G222 H223 | I79-A219 HydrophobicContact CG2-CB 3.92Å; Q215-A219 PolarHBondContact O-N 3.25Å; V216-A219 PolarHBondContact O-N 3.32Å; A219-E221 VanDerWaalsContact C-N 3.27Å; A219-E221 PolarHBondContact O-N 3.05Å; A219-G222 PolarHBondContact O-N 3.16Å; A219-H223 PolarHBondContact O-CD2 2.95Å |
| 220 | K | 80 | Confident | 87.4 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -59.5 | -30.3 | -177.5 | -81.8 | 177.2 | 174.2 | -170.2 | 0 | 115.1 | K217 K218 G222 I228 E232 | K217-K220 HydrophobicContact CB-CD 4.31Å; K217-K220 HydrophobicContact CG-CD 4.38Å; K217-K220 VanDerWaalsContact O-CB 3.28Å; K217-K220 WeakPolarHBondContact O-CB 3.38Å; K217-K220 WeakPolarHBondContact O-CD 3.4Å; K217-K220 VanDerWaalsContact O-CG 3.25Å; K217-K220 WeakPolarHBondContact O-CG 3.22Å; K217-K220 PolarHBondContact O-N 2.89Å; K218-K220 PolarHBondContact O-N 3.44Å; K218-K220 VanDerWaalsContact O-N 3.16Å; K220-G222 PolarHBondContact O-N 2.91Å; K220-I228 VanDerWaalsContact CA-CD1 3.49Å; K220-I228 HydrophobicContact CB-CD1 3.99Å; K220-I228 HydrophobicContact CG-CD1 3.4Å; K220-I228 VanDerWaalsContact CG-CD1 3.4Å; K220-I228 HydrophobicContact CG-CG2 4.24Å; K220-E232 IonicContact NZ-OE1 2.82Å |
| 221 | E | 78.1 | Confident | 87.1 | Confident | 199 Ų | 199 | 73.1 Ų | 73.1 | 93% | 0.93 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -74.5 | -8.2 | -172.9 | -64.8 | -179.9 | 179 | 0 | 0 | 113.7 | A219 | A219-E221 VanDerWaalsContact C-N 3.27Å; A219-E221 PolarHBondContact O-N 3.05Å |
| 222 | G | 75 | Confident | 86.9 | Confident | 61 Ų | 61 | 71 Ų | 71 | 63% | 0.629 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -120.7 | -0.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A219 K220 | A219-G222 PolarHBondContact O-N 3.16Å; K220-G222 PolarHBondContact O-N 2.91Å |
| 223 | H | 81.5 | Confident | 86.8 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 38% | 0.375 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -136.5 | 159.1 | -171.4 | -57.8 | -65.6 | 0 | 0 | 0 | 113.2 | I79 A219 I228 | I79-H223 HydrophobicContact CD1-CB 4.33Å; A219-H223 PolarHBondContact O-CD2 2.95Å; H223-I228 HydrophobicContact CB-CD1 4.26Å; H223-I228 HydrophobicContact CB-CG1 4.45Å |
| 224 | S | 86.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 77 Ų | 77 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | trans | -62.4 | 138.7 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | D226 T227 I228 | S224-D226 PolarHBondContact O-N 3.35Å; S224-D226 PolarHBondContact OG-N 3.43Å; S224-T227 PolarHBondContact O-N 3.35Å; S224-I228 PolarHBondContact O-N 2.96Å | ||
| 225 | E | 87.7 | Confident | 86.6 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -33.8 | 177.8 | -167.9 | -178.7 | 174.3 | 0 | 0 | 112 | I228 R229 | E225-I228 PolarHBondContact O-N 3.5Å; E225-R229 VanDerWaalsContact O-CG 3.31Å; E225-R229 WeakPolarHBondContact O-CG 3.29Å; E225-R229 PolarHBondContact O-N 3.18Å; E225-R229 IonicContact OE1-CZ 3.26Å; E225-R229 VanDerWaalsContact OE1-CZ 3.26Å; E225-R229 IonicContact OE1-NE 3.23Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 IonicContact OE1-NH2 2.66Å; E225-R229 PolarHBondContact OE1-NH2 3Å; E225-R229 IonicContact OE2-NH2 3.86Å |
| 226 | D | 87.3 | Confident | 86.8 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 57% | 0.567 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 178.9 | -72.6 | -30.3 | 0 | 0 | 0 | 111.8 | S224 I228 R229 L230 | S224-D226 PolarHBondContact O-N 3.35Å; S224-D226 PolarHBondContact OG-N 3.43Å; D226-I228 VanDerWaalsContact C-N 3.3Å; D226-I228 PolarHBondContact O-N 2.99Å; D226-R229 PolarHBondContact O-N 3.45Å; D226-L230 WeakPolarHBondContact O-CG 3.12Å; D226-L230 PolarHBondContact O-N 3.36Å |
| 227 | T | 85.3 | Confident | 87 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.5 | -50.8 | 0 | 0 | 0 | 0 | 110.4 | I79 S224 R229 L230 V231 | I79-T227 HydrophobicContact CD1-CG2 3.68Å; S224-T227 PolarHBondContact O-N 3.35Å; T227-R229 PolarHBondContact O-N 2.95Å; T227-L230 WeakPolarHBondContact O-CB 3.41Å; T227-L230 PolarHBondContact O-N 3.11Å; T227-L230 VanDerWaalsContact O-N 3.09Å; T227-V231 WeakPolarHBondContact O-CG2 3.48Å; T227-V231 PolarHBondContact O-N 3.45Å |
| 228 | I | 87.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -179.3 | -68.1 | 175 | 0 | 0 | 0 | 111.7 | V216 K220 H223 S224 E225 D226 L230 V231 E232 | V216-I228 HydrophobicContact CG1-CB 4.47Å; V216-I228 HydrophobicContact CG1-CG2 3.69Å; K220-I228 VanDerWaalsContact CA-CD1 3.49Å; K220-I228 HydrophobicContact CB-CD1 3.99Å; K220-I228 HydrophobicContact CG-CD1 3.4Å; K220-I228 VanDerWaalsContact CG-CD1 3.4Å; K220-I228 HydrophobicContact CG-CG2 4.24Å; H223-I228 HydrophobicContact CB-CD1 4.26Å; H223-I228 HydrophobicContact CB-CG1 4.45Å; S224-I228 PolarHBondContact O-N 2.96Å; E225-I228 PolarHBondContact O-N 3.5Å; D226-I228 VanDerWaalsContact C-N 3.3Å; D226-I228 PolarHBondContact O-N 2.99Å; I228-L230 VanDerWaalsContact C-N 3.25Å; I228-L230 PolarHBondContact O-N 3.02Å; I228-V231 PolarHBondContact O-N 2.81Å; I228-E232 WeakPolarHBondContact O-CG 3.47Å; I228-E232 PolarHBondContact O-N 2.78Å |
| 229 | R | 88.1 | Confident | 87.5 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 174.7 | -72.4 | 171.4 | 177.4 | -172.3 | 0.7 | 112 | E225 D226 T227 K233 | E225-R229 VanDerWaalsContact O-CG 3.31Å; E225-R229 WeakPolarHBondContact O-CG 3.29Å; E225-R229 PolarHBondContact O-N 3.18Å; E225-R229 IonicContact OE1-CZ 3.26Å; E225-R229 VanDerWaalsContact OE1-CZ 3.26Å; E225-R229 IonicContact OE1-NE 3.23Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 IonicContact OE1-NH2 2.66Å; E225-R229 PolarHBondContact OE1-NH2 3Å; E225-R229 IonicContact OE2-NH2 3.86Å; D226-R229 PolarHBondContact O-N 3.45Å; T227-R229 PolarHBondContact O-N 2.95Å; R229-K233 VanDerWaalsContact O-CG 3.27Å; R229-K233 WeakPolarHBondContact O-CG 3.46Å; R229-K233 PolarHBondContact O-N 3.22Å |
| 230 | L | 88.1 | Confident | 88 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.7 | -43.8 | 175.4 | -68.2 | 171 | 0 | 0 | 0 | 111.8 | V69 I71 D226 T227 I228 K233 Q234 | V69-L230 HydrophobicContact CG1-CD2 4.07Å; I71-L230 HydrophobicContact CD1-CB 3.69Å; D226-L230 WeakPolarHBondContact O-CG 3.12Å; D226-L230 PolarHBondContact O-N 3.36Å; T227-L230 WeakPolarHBondContact O-CB 3.41Å; T227-L230 PolarHBondContact O-N 3.11Å; T227-L230 VanDerWaalsContact O-N 3.09Å; I228-L230 VanDerWaalsContact C-N 3.25Å; I228-L230 PolarHBondContact O-N 3.02Å; L230-K233 WeakPolarHBondContact O-CB 3.47Å; L230-K233 PolarHBondContact O-N 2.9Å; L230-Q234 PolarHBondContact O-N 3.17Å |
| 231 | V | 88.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | V76 I79 V216 T227 I228 K233 Q234 I235 | V76-V231 HydrophobicContact CB-CG2 4.42Å; V76-V231 HydrophobicContact CG1-CG1 4.24Å; V76-V231 HydrophobicContact CG1-CG2 3.63Å; V76-V231 HydrophobicContact CG2-CG2 4.17Å; I79-V231 HydrophobicContact CD1-CG2 4.45Å; V216-V231 HydrophobicContact CG1-CB 4.48Å; V216-V231 HydrophobicContact CG1-CG1 4.37Å; V216-V231 HydrophobicContact CG2-CG1 3.77Å; T227-V231 WeakPolarHBondContact O-CG2 3.48Å; T227-V231 PolarHBondContact O-N 3.45Å; I228-V231 PolarHBondContact O-N 2.81Å; V231-K233 VanDerWaalsContact C-N 3.29Å; V231-K233 PolarHBondContact O-N 2.84Å; V231-Q234 PolarHBondContact O-N 3.28Å; V231-Q234 VanDerWaalsContact O-N 3.09Å; V231-I235 HydrophobicContact CG1-CD1 4.01Å; V231-I235 HydrophobicContact CG1-CG1 4.46Å; V231-I235 WeakPolarHBondContact O-CG1 3.05Å; V231-I235 PolarHBondContact O-N 2.85Å |
| 232 | E | 90.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 24% | 0.243 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 175.4 | -74.1 | -176.1 | 170.7 | 0 | 0 | 111.7 | V216 K217 K220 I228 Q236 | V216-E232 HydrophobicContact CG1-CG 4.22Å; K217-E232 WeakPolarHBondContact CE-OE1 3.45Å; K220-E232 IonicContact NZ-OE1 2.82Å; I228-E232 WeakPolarHBondContact O-CG 3.47Å; I228-E232 PolarHBondContact O-N 2.78Å; E232-Q236 WeakPolarHBondContact O-CB 3.47Å; E232-Q236 PolarHBondContact O-N 3.3Å |
| 233 | K | 91.5 | Very high | 90.6 | Very high | 123 Ų | 123 | 55.6 Ų | 55.6 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.5 | -76.4 | 172.7 | -177.5 | 175 | 0 | 112.1 | R229 L230 V231 Q236 Q237 | R229-K233 VanDerWaalsContact O-CG 3.27Å; R229-K233 WeakPolarHBondContact O-CG 3.46Å; R229-K233 PolarHBondContact O-N 3.22Å; L230-K233 WeakPolarHBondContact O-CB 3.47Å; L230-K233 PolarHBondContact O-N 2.9Å; V231-K233 VanDerWaalsContact C-N 3.29Å; V231-K233 PolarHBondContact O-N 2.84Å; K233-Q236 WeakPolarHBondContact O-CB 3.44Å; K233-Q236 PolarHBondContact O-N 3.09Å; K233-Q237 WeakPolarHBondContact O-CG 3.49Å; K233-Q237 PolarHBondContact O-N 2.78Å |
| 234 | Q | 90.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 178.8 | -173.2 | 172.5 | 2.4 | 0 | 0 | 111.7 | L82 L230 V231 Q236 Q237 M238 | L82-Q234 VanDerWaalsContact CD1-NE2 3.28Å; L230-Q234 PolarHBondContact O-N 3.17Å; V231-Q234 PolarHBondContact O-N 3.28Å; V231-Q234 VanDerWaalsContact O-N 3.09Å; Q234-Q236 PolarHBondContact O-N 3.03Å; Q234-Q237 PolarHBondContact O-N 2.92Å; Q234-Q237 VanDerWaalsContact O-N 3.12Å; Q234-M238 WeakPolarHBondContact O-CG 3.37Å; Q234-M238 PolarHBondContact O-N 3.21Å |
| 235 | I | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.5 | -41.4 | 173.9 | -67.3 | 169.1 | 0 | 0 | 0 | 110.5 | L82 M89 R209 V213 V216 V231 M238 A239 | L82-I235 HydrophobicContact CD2-CG1 4.41Å; M89-I235 HydrophobicContact CE-CG2 4.33Å; R209-I235 HydrophobicContact CG-CG2 3.85Å; V213-I235 HydrophobicContact CG2-CG2 4.23Å; V216-I235 HydrophobicContact CG2-CD1 3.69Å; V231-I235 HydrophobicContact CG1-CD1 4.01Å; V231-I235 HydrophobicContact CG1-CG1 4.46Å; V231-I235 WeakPolarHBondContact O-CG1 3.05Å; V231-I235 PolarHBondContact O-N 2.85Å; I235-M238 HydrophobicContact CB-CE 4.47Å; I235-M238 HydrophobicContact CG1-CE 4.12Å; I235-M238 PolarHBondContact O-N 3.41Å; I235-A239 WeakPolarHBondContact O-CB 3.42Å; I235-A239 PolarHBondContact O-N 3.33Å |
| 236 | Q | 94.3 | Very high | 92.2 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.5 | -175.7 | 56 | 44.1 | 0 | 0 | 112.3 | E232 K233 Q234 M238 A239 D240 | E232-Q236 WeakPolarHBondContact O-CB 3.47Å; E232-Q236 PolarHBondContact O-N 3.3Å; K233-Q236 WeakPolarHBondContact O-CB 3.44Å; K233-Q236 PolarHBondContact O-N 3.09Å; Q234-Q236 PolarHBondContact O-N 3.03Å; Q236-M238 PolarHBondContact O-N 3.35Å; Q236-A239 PolarHBondContact O-N 3.39Å; Q236-D240 PolarHBondContact NE2-OD1 3.46Å; Q236-D240 PolarHBondContact NE2-OD2 2.6Å; Q236-D240 WeakPolarHBondContact O-CB 3.4Å; Q236-D240 VanDerWaalsContact O-CG 3.24Å; Q236-D240 PolarHBondContact O-N 3.3Å |
| 237 | Q | 93.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 176.2 | -73.5 | 178.3 | 4.7 | 0 | 0 | 112.2 | S66 A67 K233 Q234 D240 N241 | S66-Q237 PolarHBondContact OG-NE2 3.49Å; A67-Q237 PolarHBondContact O-NE2 3.21Å; K233-Q237 WeakPolarHBondContact O-CG 3.49Å; K233-Q237 PolarHBondContact O-N 2.78Å; Q234-Q237 PolarHBondContact O-N 2.92Å; Q234-Q237 VanDerWaalsContact O-N 3.12Å; Q237-D240 PolarHBondContact O-N 3.16Å; Q237-N241 PolarHBondContact O-N 2.76Å; Q237-N241 PolarHBondContact O-ND2 2.76Å |
| 238 | M | 92.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176 | -65.6 | -171.9 | -57.3 | 0 | 0 | 110.9 | L82 V85 K86 M89 Q234 I235 Q236 D240 N241 I242 | L82-M238 HydrophobicContact CD2-CE 3.95Å; V85-M238 HydrophobicContact CG1-CE 4.07Å; K86-M238 HydrophobicContact CD-SD 4.09Å; K86-M238 VanDerWaalsContact CE-SD 3.58Å; K86-M238 HydrophobicContact CG-CE 4.5Å; K86-M238 HydrophobicContact CG-SD 3.48Å; K86-M238 WeakPolarHBondContact CG-SD 3.32Å; M89-M238 HydrophobicContact SD-CB 4.02Å; Q234-M238 WeakPolarHBondContact O-CG 3.37Å; Q234-M238 PolarHBondContact O-N 3.21Å; I235-M238 HydrophobicContact CB-CE 4.47Å; I235-M238 HydrophobicContact CG1-CE 4.12Å; I235-M238 PolarHBondContact O-N 3.41Å; Q236-M238 PolarHBondContact O-N 3.35Å; M238-D240 PolarHBondContact O-N 3.15Å; M238-N241 PolarHBondContact O-N 2.97Å; M238-I242 VanDerWaalsContact O-CG1 3.3Å; M238-I242 WeakPolarHBondContact O-CG1 3.42Å; M238-I242 PolarHBondContact O-N 3.4Å |
| 239 | A | 95.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M89 R209 I235 Q236 I242 A243 | M89-A239 HydrophobicContact CE-CB 3.98Å; M89-A239 HydrophobicContact SD-CB 4.41Å; R209-A239 HydrophobicContact CG-CB 4.22Å; I235-A239 WeakPolarHBondContact O-CB 3.42Å; I235-A239 PolarHBondContact O-N 3.33Å; Q236-A239 PolarHBondContact O-N 3.39Å; A239-I242 PolarHBondContact O-N 2.83Å; A239-A243 VanDerWaalsContact O-CB 3.29Å; A239-A243 WeakPolarHBondContact O-CB 3.5Å; A239-A243 PolarHBondContact O-N 3.13Å |
| 240 | D | 95.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 49.8 Ų | 49.8 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 178.3 | -70.9 | -29.1 | 0 | 0 | 0 | 112 | Q236 Q237 M238 A243 A244 | Q236-D240 PolarHBondContact NE2-OD1 3.46Å; Q236-D240 PolarHBondContact NE2-OD2 2.6Å; Q236-D240 WeakPolarHBondContact O-CB 3.4Å; Q236-D240 VanDerWaalsContact O-CG 3.24Å; Q236-D240 PolarHBondContact O-N 3.3Å; Q237-D240 PolarHBondContact O-N 3.16Å; M238-D240 PolarHBondContact O-N 3.15Å; D240-A243 PolarHBondContact O-N 3.3Å; D240-A244 WeakPolarHBondContact O-CB 3.41Å; D240-A244 PolarHBondContact O-N 2.69Å |
| 241 | N | 95.5 | Very high | 94.2 | Very high | 104 Ų | 104 | 49.3 Ų | 49.3 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | 174.2 | -68.6 | -25.8 | 0 | 0 | 0 | 111.2 | Q237 M238 A243 A244 E245 | Q237-N241 PolarHBondContact O-N 2.76Å; Q237-N241 PolarHBondContact O-ND2 2.76Å; M238-N241 PolarHBondContact O-N 2.97Å; N241-A243 VanDerWaalsContact C-N 3.34Å; N241-A243 PolarHBondContact O-N 3.06Å; N241-A244 WeakPolarHBondContact O-CB 2.93Å; N241-A244 PolarHBondContact O-N 3.49Å; N241-E245 PolarHBondContact O-N 2.99Å |
| 242 | I | 95.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.1 | -62.8 | -71.6 | 0 | 0 | 0 | 110.9 | M89 L93 L205 M238 A239 A244 E245 I246 | M89-I242 HydrophobicContact CB-CD1 4.5Å; M89-I242 HydrophobicContact CB-CG1 4.11Å; M89-I242 HydrophobicContact SD-CG1 4.39Å; L93-I242 HydrophobicContact CD1-CD1 3.49Å; L93-I242 VanDerWaalsContact CD1-CD1 3.49Å; L93-I242 HydrophobicContact CD1-CG2 3.92Å; L93-I242 HydrophobicContact CD2-CG2 4.22Å; L93-I242 HydrophobicContact CG-CD1 4.4Å; L93-I242 HydrophobicContact CG-CG2 3.8Å; L205-I242 HydrophobicContact CD1-CB 4.26Å; L205-I242 HydrophobicContact CD1-CG2 3.87Å; L205-I242 HydrophobicContact CD2-CB 4.3Å; L205-I242 HydrophobicContact CD2-CG2 3.98Å; M238-I242 VanDerWaalsContact O-CG1 3.3Å; M238-I242 WeakPolarHBondContact O-CG1 3.42Å; M238-I242 PolarHBondContact O-N 3.4Å; A239-I242 PolarHBondContact O-N 2.83Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 3.41Å; I242-E245 WeakPolarHBondContact O-CB 3.34Å; I242-E245 PolarHBondContact O-N 2.75Å; I242-E245 VanDerWaalsContact O-N 3.13Å; I242-I246 HydrophobicContact CG2-CD1 4.41Å; I242-I246 WeakPolarHBondContact O-CG1 3.49Å; I242-I246 PolarHBondContact O-N 3.19Å |
| 243 | A | 96.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 21% | 0.207 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L205 A239 D240 N241 E245 I246 D247 | L205-A243 HydrophobicContact CD2-CB 4.07Å; A239-A243 VanDerWaalsContact O-CB 3.29Å; A239-A243 WeakPolarHBondContact O-CB 3.5Å; A239-A243 PolarHBondContact O-N 3.13Å; D240-A243 PolarHBondContact O-N 3.3Å; N241-A243 VanDerWaalsContact C-N 3.34Å; N241-A243 PolarHBondContact O-N 3.06Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-E245 PolarHBondContact O-N 3.35Å; A243-I246 PolarHBondContact O-N 2.79Å; A243-D247 PolarHBondContact O-N 3.35Å; A243-D247 VanDerWaalsContact O-N 3.08Å |
| 244 | A | 96.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D240 N241 I242 D247 K248 | D240-A244 WeakPolarHBondContact O-CB 3.41Å; D240-A244 PolarHBondContact O-N 2.69Å; N241-A244 WeakPolarHBondContact O-CB 2.93Å; N241-A244 PolarHBondContact O-N 3.49Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 3.41Å; A244-D247 PolarHBondContact O-N 2.88Å; A244-K248 VanDerWaalsContact O-CG 3.29Å; A244-K248 WeakPolarHBondContact O-CG 3.49Å; A244-K248 PolarHBondContact O-N 2.89Å |
| 245 | E | 96.1 | Very high | 94.7 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 38% | 0.379 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 173.7 | -71.4 | -178.2 | -164.9 | 0 | 0 | 112.8 | L93 N241 I242 A243 D247 K248 Q249 | L93-E245 HydrophobicContact CD1-CB 4.22Å; L93-E245 WeakPolarHBondContact CD1-OE2 3.39Å; L93-E245 HydrophobicContact CD2-CB 4.28Å; N241-E245 PolarHBondContact O-N 2.99Å; I242-E245 WeakPolarHBondContact O-CB 3.34Å; I242-E245 PolarHBondContact O-N 2.75Å; I242-E245 VanDerWaalsContact O-N 3.13Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-E245 PolarHBondContact O-N 3.35Å; E245-D247 VanDerWaalsContact C-N 3.29Å; E245-D247 PolarHBondContact O-N 3.25Å; E245-K248 PolarHBondContact O-N 3.2Å; E245-Q249 WeakPolarHBondContact O-CG 3.11Å; E245-Q249 PolarHBondContact O-N 3.41Å |
| 246 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 172 | -66.2 | 169.4 | 0 | 0 | 0 | 110 | L93 L96 A201 K202 L205 I242 A243 K248 Q249 L250 | L93-I246 HydrophobicContact CD2-CD1 4.43Å; L93-I246 HydrophobicContact CD2-CG1 3.48Å; L93-I246 VanDerWaalsContact CD2-CG1 3.48Å; L96-I246 HydrophobicContact CD1-CG2 3.95Å; A201-I246 HydrophobicContact CB-CD1 4.29Å; K202-I246 HydrophobicContact CG-CD1 4.19Å; K202-I246 HydrophobicContact CG-CG2 4.27Å; L205-I246 HydrophobicContact CD2-CD1 4.16Å; I242-I246 HydrophobicContact CG2-CD1 4.41Å; I242-I246 WeakPolarHBondContact O-CG1 3.49Å; I242-I246 PolarHBondContact O-N 3.19Å; A243-I246 PolarHBondContact O-N 2.79Å; I246-K248 PolarHBondContact O-N 2.87Å; I246-Q249 PolarHBondContact O-N 3.31Å; I246-L250 PolarHBondContact O-N 2.83Å |
| 247 | D | 96.1 | Very high | 94.4 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 179.8 | -76.3 | -33.9 | 0 | 0 | 0 | 112.7 | K202 A243 A244 E245 A251 | K202-D247 VanDerWaalsContact CE-OD1 3.31Å; K202-D247 WeakPolarHBondContact CE-OD1 3.26Å; K202-D247 IonicContact NZ-OD1 3.84Å; K202-D247 PolarHBondContact NZ-OD1 3.43Å; K202-D247 IonicContact NZ-OD2 3.9Å; K202-D247 PolarHBondContact NZ-OD2 3.41Å; K202-D247 VanDerWaalsContact NZ-OD2 3.08Å; A243-D247 PolarHBondContact O-N 3.35Å; A243-D247 VanDerWaalsContact O-N 3.08Å; A244-D247 PolarHBondContact O-N 2.88Å; E245-D247 VanDerWaalsContact C-N 3.29Å; E245-D247 PolarHBondContact O-N 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.29Å; D247-A251 PolarHBondContact O-N 2.94Å |
| 248 | K | 96.5 | Very high | 94.1 | Very high | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.609 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.3 | -46.4 | 172.5 | -74.7 | 170.6 | -176.4 | 176.2 | 0 | 111.4 | A244 E245 I246 A251 V252 | A244-K248 VanDerWaalsContact O-CG 3.29Å; A244-K248 WeakPolarHBondContact O-CG 3.49Å; A244-K248 PolarHBondContact O-N 2.89Å; E245-K248 PolarHBondContact O-N 3.2Å; I246-K248 PolarHBondContact O-N 2.87Å; K248-A251 PolarHBondContact O-N 3.45Å; K248-V252 WeakPolarHBondContact O-CG2 3.44Å; K248-V252 PolarHBondContact O-N 3.15Å |
| 249 | Q | 94.9 | Very high | 93.5 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 179.8 | -71.6 | -177.7 | 18 | 0 | 0 | 112.1 | L96 F100 E245 I246 A251 V252 K253 | L96-Q249 HydrophobicContact CD2-CB 4.36Å; F100-Q249 HydrophobicContact CE2-CB 4.28Å; E245-Q249 WeakPolarHBondContact O-CG 3.11Å; E245-Q249 PolarHBondContact O-N 3.41Å; I246-Q249 PolarHBondContact O-N 3.31Å; Q249-A251 VanDerWaalsContact C-N 3.33Å; Q249-A251 PolarHBondContact O-N 3.31Å; Q249-V252 PolarHBondContact O-N 2.93Å; Q249-K253 WeakPolarHBondContact O-CB 3.47Å; Q249-K253 WeakPolarHBondContact O-CG 3.4Å; Q249-K253 PolarHBondContact O-N 2.9Å |
| 250 | L | 95.9 | Very high | 93.5 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 172.1 | 177.1 | 159.1 | 0 | 0 | 0 | 110.8 | K195 S198 I246 K253 T254 | K195-L250 HydrophobicContact CD-CD1 4.38Å; S198-L250 WeakPolarHBondContact OG-CD1 3.5Å; I246-L250 PolarHBondContact O-N 2.83Å; L250-K253 PolarHBondContact O-N 3.43Å; L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.44Å; L250-T254 PolarHBondContact O-N 3.15Å; L250-T254 PolarHBondContact O-OG1 3.07Å |
| 251 | A | 95.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D247 K248 Q249 T254 K255 | D247-A251 WeakPolarHBondContact O-CB 3.29Å; D247-A251 PolarHBondContact O-N 2.94Å; K248-A251 PolarHBondContact O-N 3.45Å; Q249-A251 VanDerWaalsContact C-N 3.33Å; Q249-A251 PolarHBondContact O-N 3.31Å; A251-T254 PolarHBondContact O-N 3.47Å; A251-K255 WeakPolarHBondContact O-CB 3.43Å; A251-K255 PolarHBondContact O-N 2.76Å |
| 252 | V | 94.2 | Very high | 93.2 | Very high | 98 Ų | 98 | 64.1 Ų | 64.1 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.9 | -49.7 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | K248 Q249 K255 E256 | K248-V252 WeakPolarHBondContact O-CG2 3.44Å; K248-V252 PolarHBondContact O-N 3.15Å; Q249-V252 PolarHBondContact O-N 2.93Å; V252-K255 PolarHBondContact O-N 3.27Å; V252-E256 PolarHBondContact O-N 3.08Å |
| 253 | K | 92.2 | Very high | 93.1 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 22% | 0.217 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 179.7 | -75.8 | -73.6 | 172.3 | -166.8 | 0 | 112.6 | F100 Q249 L250 K255 E256 L257 | F100-K253 HydrophobicContact CD2-CD 4.49Å; F100-K253 HydrophobicContact CD2-CG 3.73Å; F100-K253 HydrophobicContact CE2-CB 4.48Å; F100-K253 HydrophobicContact CE2-CG 4.07Å; F100-K253 HydrophobicContact CG-CG 4.36Å; Q249-K253 WeakPolarHBondContact O-CB 3.47Å; Q249-K253 WeakPolarHBondContact O-CG 3.4Å; Q249-K253 PolarHBondContact O-N 2.9Å; L250-K253 PolarHBondContact O-N 3.43Å; K253-K255 VanDerWaalsContact C-N 3.3Å; K253-K255 PolarHBondContact O-N 3.37Å; K253-E256 WeakPolarHBondContact CD-OE2 3.08Å; K253-E256 IonicContact NZ-OE1 3.72Å; K253-E256 IonicContact NZ-OE2 2.96Å; K253-E256 PolarHBondContact NZ-OE2 3.27Å; K253-E256 WeakPolarHBondContact O-CB 3.43Å; K253-E256 PolarHBondContact O-N 3.26Å; K253-L257 WeakPolarHBondContact O-CB 3.37Å; K253-L257 WeakPolarHBondContact O-CG 3.32Å; K253-L257 PolarHBondContact O-N 3.16Å |
| 254 | T | 92 | Very high | 92.9 | Very high | 36 Ų | 36 | 69.4 Ų | 69.4 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.4 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | L250 A251 L257 L258 | L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.44Å; L250-T254 PolarHBondContact O-N 3.15Å; L250-T254 PolarHBondContact O-OG1 3.07Å; A251-T254 PolarHBondContact O-N 3.47Å; T254-L257 PolarHBondContact O-N 3.41Å; T254-L258 HydrophobicContact CG2-CD1 3.88Å; T254-L258 HydrophobicContact CG2-CG 4.45Å; T254-L258 PolarHBondContact O-N 3.34Å |
| 255 | K | 92.3 | Very high | 92.6 | Very high | 166 Ų | 166 | 71 Ų | 71 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 174.1 | -173.1 | -179.5 | 179.2 | -177.1 | 0 | 111.8 | A251 V252 K253 L257 G259 | A251-K255 WeakPolarHBondContact O-CB 3.43Å; A251-K255 PolarHBondContact O-N 2.76Å; V252-K255 PolarHBondContact O-N 3.27Å; K253-K255 VanDerWaalsContact C-N 3.3Å; K253-K255 PolarHBondContact O-N 3.37Å; K255-L257 PolarHBondContact O-N 3.25Å; K255-G259 WeakPolarHBondContact O-CA 3.46Å; K255-G259 PolarHBondContact O-N 3.43Å |
| 256 | E | 89.8 | Confident | 92.4 | Very high | 110 Ų | 110 | 70.3 Ų | 70.3 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 172.1 | -173.1 | -173.3 | 168 | 0 | 0 | 111.4 | V252 K253 | V252-E256 PolarHBondContact O-N 3.08Å; K253-E256 WeakPolarHBondContact CD-OE2 3.08Å; K253-E256 IonicContact NZ-OE1 3.72Å; K253-E256 IonicContact NZ-OE2 2.96Å; K253-E256 PolarHBondContact NZ-OE2 3.27Å; K253-E256 WeakPolarHBondContact O-CB 3.43Å; K253-E256 PolarHBondContact O-N 3.26Å |
| 257 | L | 89.1 | Confident | 92.1 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75.8 | -39.5 | -176.2 | -70.3 | 175.6 | 0 | 0 | 0 | 114 | L104 I106 R187 L190 A191 A194 K253 T254 K255 | L104-L257 WeakPolarHBondContact O-CD2 3.42Å; I106-L257 HydrophobicContact CD1-CB 3.99Å; I106-L257 HydrophobicContact CD1-CD2 3.38Å; I106-L257 HydrophobicContact CD1-CG 4.25Å; I106-L257 WeakPolarHBondContact CD1-O 3.39Å; I106-L257 HydrophobicContact CG1-CD2 3.44Å; I106-L257 VanDerWaalsContact CG1-CD2 3.44Å; R187-L257 WeakPolarHBondContact CD-O 3.45Å; L190-L257 HydrophobicContact CB-CD1 4.03Å; L190-L257 HydrophobicContact CB-CD2 4.09Å; L190-L257 HydrophobicContact CD1-CD2 4.12Å; A191-L257 HydrophobicContact CB-CD1 4.45Å; A194-L257 HydrophobicContact CB-CD1 4.32Å; K253-L257 WeakPolarHBondContact O-CB 3.37Å; K253-L257 WeakPolarHBondContact O-CG 3.32Å; K253-L257 PolarHBondContact O-N 3.16Å; T254-L257 PolarHBondContact O-N 3.41Å; K255-L257 PolarHBondContact O-N 3.25Å |
| 258 | L | 87.3 | Confident | 91.7 | Very high | 92 Ų | 92 | 76 Ų | 76 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -98.9 | -19 | -174.7 | -62.4 | 177.6 | 0 | 0 | 0 | 113.7 | R187 E188 A191 T254 | R187-L258 HydrophobicContact CB-CD2 4.39Å; E188-L258 HydrophobicContact CG-CD2 4.35Å; A191-L258 HydrophobicContact CB-CD2 4.46Å; T254-L258 HydrophobicContact CG2-CD1 3.88Å; T254-L258 HydrophobicContact CG2-CG 4.45Å; T254-L258 PolarHBondContact O-N 3.34Å |
| 259 | G | 81.2 | Confident | 91.3 | Very high | 94 Ų | 94 | 70.2 Ų | 70.2 | 97% | 0.969 | 41% | 0.411 | S | S | * | . | trans | -64.8 | 0 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R187 K255 | R187-G259 PolarHBondContact NH1-OXT 3.45Å; K255-G259 WeakPolarHBondContact O-CA 3.46Å; K255-G259 PolarHBondContact O-N 3.43Å |
Retrieved 259 of 259 residues in 47.8 ms
(Link to these results)