| 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 | 40 | Very low | 41.6 | Very low | 242 Ų | 242 | 159.7 Ų | 159.7 | 100% | 1.192 | 80% | 0.803 | S | S | * | * | 0 | 88.4 | 0 | -74 | 170.3 | 166.9 | 0 | 0 | 105.3 | |||||
| 2 | M | 38.7 | Very low | 41.1 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | cis | 59.9 | 134 | 47 | -115.9 | -179.9 | -172.9 | 0 | 0 | 113.6 | ||||
| 3 | E | 41.5 | Very low | 40.5 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 93.7 | 97.1 | 177.9 | -60.9 | -179.7 | 159.6 | 0 | 0 | 114.8 | ||||
| 4 | S | 45.8 | Very low | 40.3 | Very low | 101 Ų | 101 | 155.1 Ų | 155.1 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | 85.6 | 140.1 | 42.4 | -49.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 5 | R | 45.6 | Very low | 39.8 | Very low | 218 Ų | 218 | 155.2 Ų | 155.2 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | trans | 89.4 | 138.4 | 153.2 | -62.6 | -164.5 | 173.8 | 136.8 | -0.6 | 117.9 | ||||
| 6 | D | 43.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | cis | -163.7 | 151.2 | -0.1 | -89.7 | -23.4 | 0 | 0 | 0 | 109.4 | ||||
| 7 | D | 41.7 | Very low | 39.1 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 35.4 | 133.4 | 132.2 | -49.3 | -30.1 | 0 | 0 | 0 | 122.7 | ||||
| 8 | E | 41.9 | Very low | 38.8 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | -177.3 | 139.2 | 92.3 | -100.1 | -171.3 | 168.2 | 0 | 0 | 113.3 | |||||
| 9 | E | 38.4 | Very low | 38.4 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 174.4 | 170.6 | -73.7 | 178.9 | 118.1 | 0 | 0 | 113.8 | ||||
| 10 | V | 42 | Very low | 37.9 | Very low | 123 Ų | 123 | 149 Ų | 149 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | 156.7 | 102.6 | 121.9 | 168.1 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 11 | T | 39 | Very low | 37.5 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 57% | 0.571 | 77% | 0.767 | S | S | * | * | 110.8 | 154.3 | 62.5 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 12 | N | 35.3 | Very low | 36.9 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 77.8 | 116.1 | 156 | -61.6 | -20.8 | 0 | 0 | 0 | 117 | ||||
| 13 | G | 33.3 | Very low | 36.4 | Very low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 106.9 | 129.6 | 29.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 14 | H | 37.4 | Very low | 35.8 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -165.7 | 135 | 132.7 | -104.4 | 81.8 | 0 | 0 | 0 | 110.7 | ||||
| 15 | H | 33.6 | Very low | 35 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -103.2 | -172.6 | -171.6 | -167.3 | 36.2 | 0 | 0 | 0 | 108.9 | ||||
| 16 | I | 34.2 | Very low | 34.3 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | 99.2 | 130.2 | 162.7 | -53.5 | 177.2 | 0 | 0 | 0 | 113.8 | ||||
| 17 | Q | 33.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | cis | 170.7 | 148 | -23.3 | -122.2 | 174.4 | -25.5 | 0 | 0 | 105.2 | ||||
| 18 | Q | 33.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 69.5 | 149.1 | 143.8 | -74.4 | 169.8 | -6.1 | 0 | 0 | 118.4 | ||||
| 19 | S | 32 | Very low | 32.7 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | -179 | 162.4 | 1.5 | 43.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | N | 28.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 85.9 | 106.7 | 145.9 | -70.7 | -5 | 0 | 0 | 0 | 122.4 | ||||
| 21 | A | 27.9 | Very low | 31.7 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | 70.8 | 114.3 | 104.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 22 | A | 28.3 | Very low | 31.3 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 85.4 | 142.7 | 120.4 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 23 | E | 28.7 | Very low | 31.1 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 98.3 | 104.5 | 152 | -62.6 | -171.2 | -179.3 | 0 | 0 | 121.9 | ||||
| 24 | H | 28.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 56.2 | 122.7 | 117.1 | -87.5 | -61.6 | 0 | 0 | 0 | 123.5 | |||||
| 25 | S | 29 | Very low | 31.1 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 99.2 | 110.1 | 132.9 | -49.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 26 | S | 29.8 | Very low | 31.6 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 57.6 | 116.8 | 133.5 | 60.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 27 | S | 28.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 141.2 | 118.4 | 109.3 | 66.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 28 | S | 32 | Very low | 31.8 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 38.2 | 109.5 | 140.8 | -152.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 29 | T | 32.9 | Very low | 32 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | -161.3 | 122.3 | 127.6 | -18.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 30 | R | 28.8 | Very low | 32.7 | Very low | 243 Ų | 243 | 143.6 Ų | 143.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | 24.9 | 120.3 | 143.4 | -69.5 | 172 | 158.1 | 152.8 | -6.6 | 120.2 | ||||
| 31 | G | 29.7 | Very low | 33.2 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | 90.1 | 97.9 | 108 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 32 | N | 31.4 | Very low | 33.6 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 56.2 | 113.3 | 149.8 | -94.6 | 17.2 | 0 | 0 | 0 | 120 | ||||
| 33 | S | 32.2 | Very low | 34.2 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | -175.4 | 117.5 | 107.3 | 25.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 34 | N | 37.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | 38 | 90.4 | 154.4 | -64.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 35 | E | 32.3 | Very low | 35.2 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -119.2 | 142.8 | 147.8 | -95.5 | 179 | 156.1 | 0 | 0 | 109.5 | D37 | E35-D37 PolarHBondContact O-N 3.21Š| ||
| 36 | M | 43.8 | Very low | 35.8 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -67.3 | 115.9 | -178.6 | -65.3 | 166.3 | -133.6 | 0 | 0 | 109.6 | ||||
| 37 | D | 33.1 | Very low | 36.2 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -118.3 | 108.5 | 154.6 | -79.3 | -40.7 | 0 | 0 | 0 | 107.6 | E35 E39 | E35-D37 PolarHBondContact O-N 3.21Å; D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 3.24Å | ||
| 38 | V | 38.7 | Very low | 37 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -70.9 | 93.1 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 105.5 | E40 | V38-E40 VanDerWaalsContact C-N 3.26Å; V38-E40 PolarHBondContact O-N 3.48Å | ||
| 39 | E | 37.9 | Very low | 37.7 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -69.1 | 93.2 | 164.1 | -70.3 | -162.5 | 173.8 | 0 | 0 | 107.9 | D37 D41 | D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 3.24Å; E39-D41 VanDerWaalsContact C-N 3.29Å; E39-D41 PolarHBondContact O-N 3.24Å | ||
| 40 | E | 46.6 | Very low | 38.7 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -54.2 | 97.1 | 148.7 | -74.2 | -176.1 | 153.5 | 0 | 0 | 107.4 | V38 | V38-E40 VanDerWaalsContact C-N 3.26Å; V38-E40 PolarHBondContact O-N 3.48Å | ||
| 41 | D | 38.6 | Very low | 39.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | 174 | 68.7 | 152.4 | -89.1 | -25.2 | 0 | 0 | 0 | 111.3 | E39 | E39-D41 VanDerWaalsContact C-N 3.29Å; E39-D41 PolarHBondContact O-N 3.24Å | ||
| 42 | D | 38 | Very low | 40.6 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | -161.1 | 31.7 | 156.4 | -118.3 | -18.5 | 0 | 0 | 0 | 115.1 | ||||
| 43 | I | 39.4 | Very low | 41.4 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | trans | -93.8 | 2.8 | 178.1 | -70.9 | 174.4 | 0 | 0 | 0 | 113.3 | ||||
| 44 | F | 40.2 | Very low | 42.2 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 90% | 0.895 | 68% | 0.677 | S | S | * | * | trans | -105.4 | 55.5 | 176.5 | -80.6 | -81.1 | 0 | 0 | 0 | 113.6 | ||||
| 45 | K | 39.4 | Very low | 42.6 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | trans | -130 | 122.1 | 157.8 | -84.2 | 176.8 | -174.6 | 147 | 0 | 110.2 | ||||
| 46 | H | 41 | Very low | 43.1 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.745 | 65% | 0.645 | S | S | * | * | trans | 107.1 | 55.7 | 171.3 | -43.8 | -37.6 | 0 | 0 | 0 | 116.1 | T48 | H46-T48 PolarHBondContact O-N 3.48Š| ||
| 47 | S | 37.9 | Very low | 43.2 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 53% | 0.531 | 63% | 0.625 | S | S | . | * | trans | -54.1 | 113.4 | 145.4 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | T49 | S47-T49 VanDerWaalsContact C-N 3.31Å; S47-T49 PolarHBondContact O-N 3.2Å; S47-T49 PolarHBondContact OG-OG1 3.46Å | ||
| 48 | T | 46.2 | Very low | 43.6 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | trans | -87.7 | 78.4 | 171.8 | -0.5 | 0 | 0 | 0 | 0 | 108.1 | H46 L50 V61 | H46-T48 PolarHBondContact O-N 3.48Å; T48-L50 PolarHBondContact O-N 3.01Å; T48-L50 VanDerWaalsContact O-N 3.14Å; T48-V61 VanDerWaalsContact O-CG2 3.3Å; T48-V61 WeakPolarHBondContact O-CG2 3.4Å | ||
| 49 | T | 46.1 | Very low | 44.3 | Very low | 47 Ų | 47 | 115.9 Ų | 115.9 | 29% | 0.288 | 59% | 0.59 | S | S | . | * | trans | -65 | 113.1 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | S47 T51 E58 | S47-T49 VanDerWaalsContact C-N 3.31Å; S47-T49 PolarHBondContact O-N 3.2Å; S47-T49 PolarHBondContact OG-OG1 3.46Å; T49-T51 HydrophobicContact CG2-CG2 3.71Å; T49-T51 PolarHBondContact O-N 3.27Å; T49-T51 VanDerWaalsContact O-N 3.15Å; T49-E58 HydrophobicContact CG2-CG 3.18Å; T49-E58 WeakPolarHBondContact CG2-OE1 3.3Å | ||
| 50 | L | 53.6 | Low | 44.6 | Very low | 29 Ų | 29 | 112 Ų | 112 | 15% | 0.152 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 97.4 | 168 | -66.7 | 174.9 | 0 | 0 | 0 | 107.5 | T48 V59 Q77 | T48-L50 PolarHBondContact O-N 3.01Å; T48-L50 VanDerWaalsContact O-N 3.14Å; L50-V59 HydrophobicContact CB-CB 4.46Å; L50-V59 PolarHBondContact N-O 3.23Å; L50-V59 PolarHBondContact O-N 2.84Å; L50-V59 VanDerWaalsContact O-N 3.16Å; L50-Q77 HydrophobicContact CD1-CG 4.5Å; L50-Q77 HydrophobicContact CD2-CG 3.74Å |
| 51 | T | 48.4 | Very low | 44.9 | Very low | 80 Ų | 80 | 105.3 Ų | 105.3 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 116.1 | 170.9 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | T49 K53 E58 | T49-T51 HydrophobicContact CG2-CG2 3.71Å; T49-T51 PolarHBondContact O-N 3.27Å; T49-T51 VanDerWaalsContact O-N 3.15Å; T51-K53 PolarHBondContact O-N 2.92Å; T51-E58 HydrophobicContact CG2-CG 4.21Å |
| 52 | N | 50.1 | Low | 45 | Very low | 7 Ų | 7 | 109 Ų | 109 | 4% | 0.037 | 55% | 0.553 | C | S | . | * | trans | -67.1 | 107.5 | 162.6 | -179.4 | -27.7 | 0 | 0 | 0 | 107.5 | Q54 R55 G56 A110 F111 | N52-Q54 PolarHBondContact O-N 3.2Å; N52-Q54 PolarHBondContact OD1-N 3.22Å; N52-R55 HydrophobicContact CB-CB 4.25Å; N52-R55 PolarHBondContact O-N 3.4Å; N52-R55 VanDerWaalsContact O-N 3.08Å; N52-R55 PolarHBondContact OD1-N 3.3Å; N52-G56 PolarHBondContact O-N 2.87Å; N52-A110 PolarHBondContact ND2-O 3.41Å; N52-F111 HydrophobicContact CB-CD1 4.18Å; N52-F111 HydrophobicContact CB-CE1 3.89Å; N52-F111 HydrophobicContact CB-CZ 4.38Å | ||
| 53 | K | 49.7 | Very low | 45.1 | Very low | 199 Ų | 199 | 107.9 Ų | 107.9 | 87% | 0.865 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -21.6 | -176.8 | -76.1 | -178.5 | 177.7 | 173.1 | 0 | 114 | T51 | T51-K53 PolarHBondContact O-N 2.92Š|
| 54 | Q | 47.6 | Very low | 45.3 | Very low | 132 Ų | 132 | 103.1 Ų | 103.1 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -19.7 | -177.4 | -61.6 | -66.9 | -21 | 0 | 0 | 113.9 | N52 Y146 | N52-Q54 PolarHBondContact O-N 3.2Å; N52-Q54 PolarHBondContact OD1-N 3.22Å; Q54-Y146 HydrophobicContact CG-CE1 4.47Å |
| 55 | R | 45.8 | Very low | 45.4 | Very low | 110 Ų | 110 | 98.4 Ų | 98.4 | 42% | 0.415 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -17.3 | -174.2 | -68.4 | -173.1 | 70 | 179.3 | 3.7 | 114.9 | N52 N57 | N52-R55 HydrophobicContact CB-CB 4.25Å; N52-R55 PolarHBondContact O-N 3.4Å; N52-R55 VanDerWaalsContact O-N 3.08Å; N52-R55 PolarHBondContact OD1-N 3.3Å; R55-N57 HydrophobicContact CB-CB 4.34Å; R55-N57 PolarHBondContact O-N 3.15Å |
| 56 | G | 44 | Very low | 45.6 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 68% | 0.68 | 54% | 0.538 | S | S | * | . | trans | 62.7 | 9.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | N52 E58 | N52-G56 PolarHBondContact O-N 2.87Å; G56-E58 PolarHBondContact O-N 3.04Å; G56-E58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | N | 44.6 | Very low | 45.9 | Very low | 88 Ų | 88 | 99.2 Ų | 99.2 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | trans | -71.5 | 106.5 | 170.6 | -89.9 | 12.7 | 0 | 0 | 0 | 107.8 | R55 | R55-N57 HydrophobicContact CB-CB 4.34Å; R55-N57 PolarHBondContact O-N 3.15Å | ||
| 58 | E | 41.6 | Very low | 47 | Very low | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 108.8 | 172.3 | -162.3 | 175.7 | 177.9 | 0 | 0 | 108.6 | T49 T51 G56 T60 | T49-E58 HydrophobicContact CG2-CG 3.18Å; T49-E58 WeakPolarHBondContact CG2-OE1 3.3Å; T51-E58 HydrophobicContact CG2-CG 4.21Å; G56-E58 PolarHBondContact O-N 3.04Å; G56-E58 VanDerWaalsContact O-N 3.12Å; E58-T60 HydrophobicContact CG-CG2 4.05Å; E58-T60 PolarHBondContact O-N 3.36Å |
| 59 | V | 53.6 | Low | 48.2 | Very low | 51 Ų | 51 | 96.8 Ų | 96.8 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 98.7 | 166.1 | -177.6 | 0 | 0 | 0 | 0 | 106.2 | L50 V61 | L50-V59 HydrophobicContact CB-CB 4.46Å; L50-V59 PolarHBondContact N-O 3.23Å; L50-V59 PolarHBondContact O-N 2.84Å; L50-V59 VanDerWaalsContact O-N 3.16Å; V59-V61 PolarHBondContact O-N 2.78Å |
| 60 | T | 44.7 | Very low | 50.1 | Low | 101 Ų | 101 | 96.8 Ų | 96.8 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | trans | -71.6 | 115.4 | 173.1 | 50.3 | 0 | 0 | 0 | 0 | 108.6 | E58 | E58-T60 HydrophobicContact CG-CG2 4.05Å; E58-T60 PolarHBondContact O-N 3.36Å | ||
| 61 | V | 52.3 | Low | 51.8 | Low | 31 Ų | 31 | 96.3 Ų | 96.3 | 19% | 0.188 | 52% | 0.524 | C | S | . | . | trans | -92.7 | 127 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | T48 V59 | T48-V61 VanDerWaalsContact O-CG2 3.3Å; T48-V61 WeakPolarHBondContact O-CG2 3.4Å; V59-V61 PolarHBondContact O-N 2.78Å | ||
| 62 | R | 40.3 | Very low | 53.8 | Low | 231 Ų | 231 | 93.1 Ų | 93.1 | 87% | 0.872 | 50% | 0.504 | S | S | * | . | trans | -74.8 | 128.8 | 163.8 | -70.5 | -173.1 | 176.7 | -165.7 | -0.8 | 108 | A64 | R62-A64 PolarHBondContact O-N 2.68Š| ||
| 63 | P | 41.7 | Very low | 55.6 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 71% | 0.714 | 51% | 0.512 | S | S | * | . | trans | -77.7 | 94.6 | -177.8 | 31.4 | -30.4 | 0 | 0 | 0 | 108.4 | ||||
| 64 | A | 42.2 | Very low | 57.5 | Low | 67 Ų | 67 | 85.4 Ų | 85.4 | 55% | 0.554 | 47% | 0.471 | S | S | * | . | trans | -107.9 | 79.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108 | R62 S68 | R62-A64 PolarHBondContact O-N 2.68Å; A64-S68 PolarHBondContact O-OG 3.47Å | ||
| 65 | T | 42.2 | Very low | 59.6 | Low | 105 Ų | 105 | 79.1 Ų | 79.1 | 64% | 0.644 | 44% | 0.441 | S | S | * | . | trans | 59.9 | 135.2 | 167.9 | 60.9 | 0 | 0 | 0 | 0 | 115.7 | D67 S68 | T65-D67 PolarHBondContact O-N 3.33Å; T65-S68 PolarHBondContact O-N 3.06Å | ||
| 66 | L | 43.7 | Very low | 61.8 | Low | 174 Ų | 174 | 74 Ų | 74 | 91% | 0.911 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -8.1 | 177.2 | -85.5 | 102.8 | 0 | 0 | 0 | 114.3 | ||
| 67 | D | 47.6 | Very low | 63.9 | Low | 157 Ų | 157 | 74.4 Ų | 74.4 | 84% | 0.84 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.4 | -177.6 | -70.3 | -24.3 | 0 | 0 | 0 | 115.9 | T65 | T65-D67 PolarHBondContact O-N 3.33Š|
| 68 | S | 61.8 | Low | 65.9 | Low | 76 Ų | 76 | 71.2 Ų | 71.2 | 53% | 0.531 | 40% | 0.395 | S | S | . | . | trans | -141.9 | 39.8 | 179.7 | 74.4 | 0 | 0 | 0 | 0 | 116.4 | A64 T65 S70 | A64-S68 PolarHBondContact O-OG 3.47Å; T65-S68 PolarHBondContact O-N 3.06Å; S68-S70 PolarHBondContact O-N 3.42Å | ||
| 69 | L | 71.1 | Confident | 68.2 | Low | 52 Ų | 52 | 67.8 Ų | 67.8 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | trans | -59.3 | 127.9 | 163.1 | -73.3 | 169.4 | 0 | 0 | 0 | 109 | Q73 L74 | L69-Q73 HydrophobicContact CB-CB 4.44Å; L69-Q73 HydrophobicContact CD2-CB 4.12Å; L69-L74 HydrophobicContact CB-CD2 3.82Å; L69-L74 HydrophobicContact CB-CG 3.96Å; L69-L74 HydrophobicContact CD1-CD2 3.87Å | ||
| 70 | S | 86.3 | Confident | 70 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | trans | -65.1 | 155 | 176.8 | 78 | 0 | 0 | 0 | 0 | 110.1 | S68 H72 Q73 L74 | S68-S70 PolarHBondContact O-N 3.42Å; S70-H72 PolarHBondContact O-N 3.18Å; S70-H72 VanDerWaalsContact O-N 3.1Å; S70-Q73 WeakPolarHBondContact O-CB 3.35Å; S70-Q73 PolarHBondContact O-N 2.9Å; S70-Q73 WeakPolarHBondContact OG-CG 3.42Å; S70-Q73 PolarHBondContact OG-N 3.46Å; S70-L74 PolarHBondContact O-N 2.99Å | ||
| 71 | I | 88.9 | Confident | 72.2 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.092 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -54.8 | -32.3 | 176.1 | -170.1 | 67.6 | 0 | 0 | 0 | 112 | A75 V83 H86 V93 P104 | I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 3.25Å; I71-V83 HydrophobicContact CD1-CB 4.25Å; I71-V83 HydrophobicContact CD1-CG1 3.93Å; I71-V83 HydrophobicContact CD1-CG2 4.08Å; I71-H86 HydrophobicContact CD1-CB 3.74Å; I71-V93 HydrophobicContact CD1-CG2 4.43Å; I71-V93 HydrophobicContact CG1-CB 4.21Å; I71-V93 HydrophobicContact CG1-CG2 4.35Å; I71-P104 HydrophobicContact CG1-CB 4.42Å; I71-P104 HydrophobicContact CG1-CG 3.97Å; I71-P104 HydrophobicContact CG2-CG 4Å |
| 72 | H | 90.4 | Very high | 73.8 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.06 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 174.8 | -50.7 | 91.9 | 0 | 0 | 0 | 112.3 | S70 A75 A76 T96 D98 F102 W107 | S70-H72 PolarHBondContact O-N 3.18Å; S70-H72 VanDerWaalsContact O-N 3.1Å; H72-A75 PolarHBondContact O-N 3.09Å; H72-A76 WeakPolarHBondContact O-CB 3.41Å; H72-A76 PolarHBondContact O-N 3.29Å; H72-T96 PolarHBondContact NE2-O 2.96Å; H72-D98 PolarHBondContact NE2-N 2.91Å; H72-F102 PolarHBondContact CD2-O 2.97Å; H72-F102 PolarHBondContact NE2-O 2.79Å; H72-F102 VanDerWaalsContact NE2-O 3.16Å; H72-W107 HydrophobicContact CB-CD2 4.24Å; H72-W107 HydrophobicContact CB-CG 3.95Å; H72-W107 AromaticContact CD2-CD1 3.8Å; H72-W107 WeakPolarHBondContact O-CB 3.27Å |
| 73 | Q | 87.3 | Confident | 76.2 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 177.6 | -70.2 | 170.6 | -31.2 | 0 | 0 | 111.6 | L69 S70 A75 A76 Q77 | L69-Q73 HydrophobicContact CB-CB 4.44Å; L69-Q73 HydrophobicContact CD2-CB 4.12Å; S70-Q73 WeakPolarHBondContact O-CB 3.35Å; S70-Q73 PolarHBondContact O-N 2.9Å; S70-Q73 WeakPolarHBondContact OG-CG 3.42Å; S70-Q73 PolarHBondContact OG-N 3.46Å; Q73-A75 VanDerWaalsContact C-N 3.29Å; Q73-A75 PolarHBondContact O-N 3.48Å; Q73-A76 WeakPolarHBondContact O-CB 3.28Å; Q73-A76 PolarHBondContact O-N 3.13Å; Q73-A76 VanDerWaalsContact O-N 3.17Å; Q73-Q77 VanDerWaalsContact O-CG 3.32Å; Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.93Å |
| 74 | L | 90.8 | Very high | 78.5 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.9 | -66.9 | 174 | 0 | 0 | 0 | 111.3 | L69 S70 A76 Q77 G78 D79 Q82 V83 | L69-L74 HydrophobicContact CB-CD2 3.82Å; L69-L74 HydrophobicContact CB-CG 3.96Å; L69-L74 HydrophobicContact CD1-CD2 3.87Å; S70-L74 PolarHBondContact O-N 2.99Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-Q77 PolarHBondContact O-N 3.47Å; L74-G78 PolarHBondContact O-N 3.29Å; L74-G78 VanDerWaalsContact O-N 3.17Å; L74-D79 PolarHBondContact O-N 2.89Å; L74-Q82 HydrophobicContact CD1-CB 4.04Å; L74-Q82 HydrophobicContact CD2-CB 4.1Å; L74-V83 HydrophobicContact CB-CG2 3.58Å |
| 75 | A | 91.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I71 H72 Q73 Q77 G78 P104 A108 M116 L120 | I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 3.25Å; H72-A75 PolarHBondContact O-N 3.09Å; Q73-A75 VanDerWaalsContact C-N 3.29Å; Q73-A75 PolarHBondContact O-N 3.48Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.98Å; A75-G78 PolarHBondContact O-N 3.49Å; A75-P104 HydrophobicContact CB-CB 3.8Å; A75-P104 VanDerWaalsContact CB-O 3.32Å; A75-P104 WeakPolarHBondContact CB-O 3.43Å; A75-A108 HydrophobicContact CB-CB 4.41Å; A75-M116 HydrophobicContact CB-CG 4.16Å; A75-L120 HydrophobicContact CB-CD1 4.38Å |
| 76 | A | 90.6 | Very high | 83 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.9 | -27.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H72 Q73 L74 W107 F111 E113 | H72-A76 WeakPolarHBondContact O-CB 3.41Å; H72-A76 PolarHBondContact O-N 3.29Å; Q73-A76 WeakPolarHBondContact O-CB 3.28Å; Q73-A76 PolarHBondContact O-N 3.13Å; Q73-A76 VanDerWaalsContact O-N 3.17Å; L74-A76 VanDerWaalsContact C-N 3.34Å; A76-W107 HydrophobicContact CB-CB 4.28Å; A76-W107 HydrophobicContact CB-CD2 4.47Å; A76-W107 HydrophobicContact CB-CE3 3.67Å; A76-W107 HydrophobicContact CB-CZ3 4.41Å; A76-F111 HydrophobicContact CB-CD1 4.45Å; A76-F111 HydrophobicContact CB-CD2 3.83Å; A76-F111 HydrophobicContact CB-CE2 4.07Å; A76-F111 HydrophobicContact CB-CG 4.04Å; A76-F111 HydrophobicContact CB-CZ 4.48Å; A76-E113 WeakPolarHBondContact O-CG 3.22Å |
| 77 | Q | 88.1 | Confident | 85.2 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -86.1 | -11.8 | 177.3 | -71.9 | 176 | 14.4 | 0 | 0 | 113.3 | L50 Q73 L74 A75 D79 | L50-Q77 HydrophobicContact CD1-CG 4.5Å; L50-Q77 HydrophobicContact CD2-CG 3.74Å; Q73-Q77 VanDerWaalsContact O-CG 3.32Å; Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.93Å; L74-Q77 PolarHBondContact O-N 3.47Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.98Å; Q77-D79 VanDerWaalsContact C-N 3.31Å; Q77-D79 PolarHBondContact O-N 3.06Å |
| 78 | G | 88.3 | Confident | 87.2 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 16.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L74 A75 V80 M116 | L74-G78 PolarHBondContact O-N 3.29Å; L74-G78 VanDerWaalsContact O-N 3.17Å; A75-G78 PolarHBondContact O-N 3.49Å; G78-V80 VanDerWaalsContact C-N 3.32Å; G78-V80 PolarHBondContact O-N 3.31Å; G78-M116 VanDerWaalsContact C-CE 3.48Å |
| 79 | D | 88.5 | Confident | 88.5 | Confident | 48 Ų | 48 | 47 Ų | 47 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | trans | -77.7 | 80.7 | 178.5 | -167.6 | -23.8 | 0 | 0 | 0 | 111.5 | L74 Q77 S81 Q82 V83 M116 | L74-D79 PolarHBondContact O-N 2.89Å; Q77-D79 VanDerWaalsContact C-N 3.31Å; Q77-D79 PolarHBondContact O-N 3.06Å; D79-S81 PolarHBondContact O-N 3.36Å; D79-S81 PolarHBondContact OD1-N 3.34Å; D79-Q82 HydrophobicContact CB-CB 4.44Å; D79-Q82 PolarHBondContact O-N 2.84Å; D79-Q82 PolarHBondContact OD1-N 3.44Å; D79-Q82 VanDerWaalsContact OD1-N 3.07Å; D79-Q82 VanDerWaalsContact OD2-CD 3.32Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.48Å; D79-Q82 PolarHBondContact OD2-NE2 3.35Å; D79-V83 WeakPolarHBondContact O-CG2 3.32Å; D79-V83 PolarHBondContact O-N 3.41Å; D79-V83 VanDerWaalsContact O-N 3.08Å; D79-M116 WeakPolarHBondContact O-CE 3.35Å | ||
| 80 | V | 91.8 | Very high | 89.4 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -32.1 | -178.4 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | G78 A84 M116 F119 | G78-V80 VanDerWaalsContact C-N 3.32Å; G78-V80 PolarHBondContact O-N 3.31Å; V80-A84 WeakPolarHBondContact O-CB 3.49Å; V80-A84 PolarHBondContact O-N 3.3Å; V80-M116 VanDerWaalsContact CA-CE 3.45Å; V80-M116 HydrophobicContact CB-CE 4.2Å; V80-M116 HydrophobicContact CG2-CE 3.73Å; V80-M116 HydrophobicContact CG2-SD 4.28Å; V80-M116 VanDerWaalsContact N-CE 3.28Å; V80-F119 HydrophobicContact CG1-CB 4.19Å; V80-F119 HydrophobicContact CG1-CD1 4.19Å; V80-F119 HydrophobicContact CG1-CD2 3.73Å; V80-F119 HydrophobicContact CG1-CE2 4.14Å; V80-F119 HydrophobicContact CG1-CG 3.75Å |
| 81 | S | 90.3 | Very high | 89.4 | Confident | 96 Ų | 96 | 50 Ų | 50 | 67% | 0.671 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.1 | -45.9 | -176.8 | -60 | 0 | 0 | 0 | 0 | 111.1 | D79 A85 | D79-S81 PolarHBondContact O-N 3.36Å; D79-S81 PolarHBondContact OD1-N 3.34Å; S81-A85 PolarHBondContact O-N 3.49Å; S81-A85 VanDerWaalsContact O-N 3.11Å |
| 82 | Q | 87.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 51.7 Ų | 51.7 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -48 | 176.5 | -68.4 | -168.9 | 49 | 0 | 0 | 111.2 | L74 D79 A84 A85 H86 | L74-Q82 HydrophobicContact CD1-CB 4.04Å; L74-Q82 HydrophobicContact CD2-CB 4.1Å; D79-Q82 HydrophobicContact CB-CB 4.44Å; D79-Q82 PolarHBondContact O-N 2.84Å; D79-Q82 PolarHBondContact OD1-N 3.44Å; D79-Q82 VanDerWaalsContact OD1-N 3.07Å; D79-Q82 VanDerWaalsContact OD2-CD 3.32Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.48Å; D79-Q82 PolarHBondContact OD2-NE2 3.35Å; Q82-A84 VanDerWaalsContact C-N 3.25Å; Q82-A84 PolarHBondContact O-N 2.91Å; Q82-A85 WeakPolarHBondContact O-CB 3.31Å; Q82-A85 PolarHBondContact O-N 3.36Å; Q82-H86 PolarHBondContact O-CD2 3.28Å; Q82-H86 VanDerWaalsContact O-CD2 3.25Å; Q82-H86 PolarHBondContact O-N 3.3Å |
| 83 | V | 89.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | I71 L74 D79 A85 H86 V87 M116 F119 L120 | I71-V83 HydrophobicContact CD1-CB 4.25Å; I71-V83 HydrophobicContact CD1-CG1 3.93Å; I71-V83 HydrophobicContact CD1-CG2 4.08Å; L74-V83 HydrophobicContact CB-CG2 3.58Å; D79-V83 WeakPolarHBondContact O-CG2 3.32Å; D79-V83 PolarHBondContact O-N 3.41Å; D79-V83 VanDerWaalsContact O-N 3.08Å; V83-A85 PolarHBondContact O-N 2.92Å; V83-H86 PolarHBondContact O-N 3.23Å; V83-V87 HydrophobicContact CG1-CG2 4.14Å; V83-V87 VanDerWaalsContact O-CG2 3.25Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.2Å; V83-M116 HydrophobicContact CB-CE 3.92Å; V83-M116 HydrophobicContact CB-SD 3.93Å; V83-M116 HydrophobicContact CG1-CE 4.49Å; V83-M116 HydrophobicContact CG1-SD 3.84Å; V83-M116 HydrophobicContact CG2-CE 3.51Å; V83-M116 HydrophobicContact CG2-SD 3.86Å; V83-F119 HydrophobicContact CG1-CD1 4.39Å; V83-F119 HydrophobicContact CG1-CE1 3.99Å; V83-L120 HydrophobicContact CG1-CD2 3.98Å |
| 84 | A | 90.8 | Very high | 89.5 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V80 Q82 H86 V87 S88 F119 | V80-A84 WeakPolarHBondContact O-CB 3.49Å; V80-A84 PolarHBondContact O-N 3.3Å; Q82-A84 VanDerWaalsContact C-N 3.25Å; Q82-A84 PolarHBondContact O-N 2.91Å; A84-H86 VanDerWaalsContact C-N 3.33Å; A84-V87 PolarHBondContact O-N 3.1Å; A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.23Å; A84-S88 PolarHBondContact O-OG 3.41Å; A84-F119 HydrophobicContact CB-CE1 4.26Å; A84-F119 HydrophobicContact CB-CE2 3.98Å; A84-F119 HydrophobicContact CB-CZ 3.47Å; A84-F119 VanDerWaalsContact CB-CZ 3.47Å |
| 85 | A | 89.9 | Confident | 89.5 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S81 Q82 V83 K89 | S81-A85 PolarHBondContact O-N 3.49Å; S81-A85 VanDerWaalsContact O-N 3.11Å; Q82-A85 WeakPolarHBondContact O-CB 3.31Å; Q82-A85 PolarHBondContact O-N 3.36Å; V83-A85 PolarHBondContact O-N 2.92Å; A85-K89 WeakPolarHBondContact O-CG 3.23Å; A85-K89 PolarHBondContact O-N 3.36Å |
| 86 | H | 87.6 | Confident | 89.5 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 36% | 0.356 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.8 | -49.2 | 174.3 | -80.3 | -93.6 | 0 | 0 | 0 | 111.9 | I71 Q82 V83 A84 S88 K89 D90 | I71-H86 HydrophobicContact CD1-CB 3.74Å; Q82-H86 PolarHBondContact O-CD2 3.28Å; Q82-H86 VanDerWaalsContact O-CD2 3.25Å; Q82-H86 PolarHBondContact O-N 3.3Å; V83-H86 PolarHBondContact O-N 3.23Å; A84-H86 VanDerWaalsContact C-N 3.33Å; H86-S88 VanDerWaalsContact C-N 3.26Å; H86-S88 PolarHBondContact O-N 2.84Å; H86-K89 PolarHBondContact O-N 3.13Å; H86-K89 VanDerWaalsContact O-N 3.08Å; H86-D90 PolarHBondContact O-N 3.23Å |
| 87 | V | 90.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -33.5 | 179.1 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | V83 A84 K89 D90 V93 L94 K123 | V83-V87 HydrophobicContact CG1-CG2 4.14Å; V83-V87 VanDerWaalsContact O-CG2 3.25Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.2Å; A84-V87 PolarHBondContact O-N 3.1Å; V87-K89 VanDerWaalsContact C-N 3.33Å; V87-D90 CarbonylContact O-C 3.41Å; V87-V93 HydrophobicContact CB-CG2 4.28Å; V87-V93 HydrophobicContact CG2-CG2 3.58Å; V87-L94 HydrophobicContact CG1-CD1 4.24Å; V87-L94 HydrophobicContact CG1-CD2 4.16Å; V87-L94 HydrophobicContact CG1-CG 4.26Å; V87-L94 HydrophobicContact CG2-CD2 3.65Å; V87-L94 HydrophobicContact CG2-CG 4.24Å; V87-K123 HydrophobicContact CG1-CB 4.3Å; V87-K123 HydrophobicContact CG1-CD 4.4Å; V87-K123 HydrophobicContact CG1-CG 4.25Å |
| 88 | S | 90.1 | Very high | 89.7 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.5 | -27.1 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | A84 H86 | A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.23Å; A84-S88 PolarHBondContact O-OG 3.41Å; H86-S88 VanDerWaalsContact C-N 3.26Å; H86-S88 PolarHBondContact O-N 2.84Å |
| 89 | K | 89.8 | Confident | 89.7 | Confident | 178 Ų | 178 | 66 Ų | 66 | 77% | 0.774 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -83.3 | -41.1 | 176.3 | -70.9 | 172.7 | -177.3 | 176.4 | 0 | 111.4 | A85 H86 V87 | A85-K89 WeakPolarHBondContact O-CG 3.23Å; A85-K89 PolarHBondContact O-N 3.36Å; H86-K89 PolarHBondContact O-N 3.13Å; H86-K89 VanDerWaalsContact O-N 3.08Å; V87-K89 VanDerWaalsContact C-N 3.33Å |
| 90 | D | 88.1 | Confident | 89.7 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 41% | 0.406 | 39% | 0.392 | S | S | . | . | trans | -145.4 | 112.6 | -177.4 | -177.4 | 1.4 | 0 | 0 | 0 | 109.6 | H86 V87 S92 V93 | H86-D90 PolarHBondContact O-N 3.23Å; V87-D90 CarbonylContact O-C 3.41Å; D90-S92 VanDerWaalsContact C-N 3.25Å; D90-S92 PolarHBondContact O-N 2.95Å; D90-S92 WeakPolarHBondContact OD1-CB 3.49Å; D90-S92 PolarHBondContact OD1-N 3.35Å; D90-S92 PolarHBondContact OD1-OG 3.47Å; D90-S92 PolarHBondContact OD2-OG 3.36Å; D90-V93 HydrophobicContact CB-CG1 4.08Å; D90-V93 WeakPolarHBondContact O-CG1 3.32Å; D90-V93 WeakPolarHBondContact O-CG2 3.39Å | ||
| 91 | S | 88 | Confident | 89.7 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -74.7 | -15.7 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 113 | V93 L94 | S91-V93 PolarHBondContact O-N 2.96Å; S91-L94 PolarHBondContact O-N 3.29Å |
| 92 | S | 89.8 | Confident | 89.9 | Confident | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -64.7 | -23.4 | 179.4 | 77.1 | 0 | 0 | 0 | 0 | 112.2 | D90 L94 T95 T96 | D90-S92 VanDerWaalsContact C-N 3.25Å; D90-S92 PolarHBondContact O-N 2.95Å; D90-S92 WeakPolarHBondContact OD1-CB 3.49Å; D90-S92 PolarHBondContact OD1-N 3.35Å; D90-S92 PolarHBondContact OD1-OG 3.47Å; D90-S92 PolarHBondContact OD2-OG 3.36Å; S92-L94 PolarHBondContact O-N 3.02Å; S92-T95 PolarHBondContact O-N 3.19Å; S92-T95 PolarHBondContact O-OG1 2.92Å; S92-T96 PolarHBondContact O-N 2.94Å; S92-T96 PolarHBondContact O-OG1 3.01Å |
| 93 | V | 88.8 | Confident | 90.2 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -57.2 | -25.7 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 113.3 | I71 V87 D90 S91 T95 T96 P104 | I71-V93 HydrophobicContact CD1-CG2 4.43Å; I71-V93 HydrophobicContact CG1-CB 4.21Å; I71-V93 HydrophobicContact CG1-CG2 4.35Å; V87-V93 HydrophobicContact CB-CG2 4.28Å; V87-V93 HydrophobicContact CG2-CG2 3.58Å; D90-V93 HydrophobicContact CB-CG1 4.08Å; D90-V93 WeakPolarHBondContact O-CG1 3.32Å; D90-V93 WeakPolarHBondContact O-CG2 3.39Å; S91-V93 PolarHBondContact O-N 2.96Å; V93-T95 PolarHBondContact O-N 3.43Å; V93-T96 WeakPolarHBondContact CA-OG1 3.24Å; V93-T96 PolarHBondContact O-N 3.2Å; V93-P104 WeakPolarHBondContact O-CG 3.49Å |
| 94 | L | 89.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -65.2 | -28.5 | 176.6 | -63 | 173.9 | 0 | 0 | 0 | 112.5 | V87 S91 S92 L120 K123 A125 | V87-L94 HydrophobicContact CG1-CD1 4.24Å; V87-L94 HydrophobicContact CG1-CD2 4.16Å; V87-L94 HydrophobicContact CG1-CG 4.26Å; V87-L94 HydrophobicContact CG2-CD2 3.65Å; V87-L94 HydrophobicContact CG2-CG 4.24Å; S91-L94 PolarHBondContact O-N 3.29Å; S92-L94 PolarHBondContact O-N 3.02Å; L94-L120 HydrophobicContact CD2-CD2 3.65Å; L94-K123 HydrophobicContact CD1-CB 3.99Å; L94-K123 WeakPolarHBondContact CD1-O 3.44Å; L94-K123 HydrophobicContact CD2-CB 4.09Å; L94-A125 HydrophobicContact CB-CB 4.45Å; L94-A125 HydrophobicContact CD2-CB 4.46Å |
| 95 | T | 91.4 | Very high | 90.8 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -5.8 | -179 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | S92 V93 Q97 | S92-T95 PolarHBondContact O-N 3.19Å; S92-T95 PolarHBondContact O-OG1 2.92Å; V93-T95 PolarHBondContact O-N 3.43Å; T95-Q97 PolarHBondContact O-N 3.5Å |
| 96 | T | 90.9 | Very high | 91.1 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | trans | -64.1 | 124.9 | -177.3 | -60 | 0 | 0 | 0 | 0 | 111 | H72 S92 V93 P104 | H72-T96 PolarHBondContact NE2-O 2.96Å; S92-T96 PolarHBondContact O-N 2.94Å; S92-T96 PolarHBondContact O-OG1 3.01Å; V93-T96 WeakPolarHBondContact CA-OG1 3.24Å; V93-T96 PolarHBondContact O-N 3.2Å; T96-P104 WeakPolarHBondContact O-CD 3.34Å | ||
| 97 | Q | 92.3 | Very high | 91.5 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | trans | -97.8 | 141.7 | 176 | -68.6 | -176.2 | -52.6 | 0 | 0 | 110.9 | T95 G101 F102 T103 I130 | T95-Q97 PolarHBondContact O-N 3.5Å; Q97-G101 WeakPolarHBondContact CG-O 3.47Å; Q97-G101 PolarHBondContact NE2-O 3.35Å; Q97-F102 WeakPolarHBondContact CA-O 3.39Å; Q97-T103 HydrophobicContact CG-CG2 4.09Å; Q97-I130 PolarHBondContact NE2-O 2.95Å | ||
| 98 | D | 89.9 | Confident | 91.8 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -77.6 | -176.1 | 169.6 | 72.1 | 8.7 | 0 | 0 | 0 | 112 | H72 R100 G101 F102 W107 | H72-D98 PolarHBondContact NE2-N 2.91Å; D98-R100 PolarHBondContact O-N 3.17Å; D98-R100 WeakPolarHBondContact OD1-CA 3.31Å; D98-R100 WeakPolarHBondContact OD1-CB 3.45Å; D98-R100 PolarHBondContact OD1-N 3.19Å; D98-G101 PolarHBondContact O-N 2.97Å; D98-G101 PolarHBondContact OD1-N 3.06Å; D98-F102 PolarHBondContact N-O 2.88Å; D98-F102 PolarHBondContact OD1-N 3.16Å; D98-W107 PolarHBondContact OD2-NE1 2.97Å | ||
| 99 | D | 89.1 | Confident | 92.1 | Very high | 141 Ų | 141 | 49.6 Ų | 49.6 | 75% | 0.754 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13 | 178.8 | -69.4 | -28 | 0 | 0 | 0 | 114.4 | R132 | D99-R132 PolarHBondContact O-NE 2.78Å; D99-R132 PolarHBondContact O-NH1 2.89Å; D99-R132 PolarHBondContact O-NH2 2.86Å; D99-R132 VanDerWaalsContact O-NH2 3.13Å |
| 100 | R | 87.4 | Confident | 92.3 | Very high | 137 Ų | 137 | 41.7 Ų | 41.7 | 52% | 0.517 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -0.3 | 176.1 | -65.7 | 168.9 | 64 | -148.1 | -8.2 | 112 | D98 F102 R132 | D98-R100 PolarHBondContact O-N 3.17Å; D98-R100 WeakPolarHBondContact OD1-CA 3.31Å; D98-R100 WeakPolarHBondContact OD1-CB 3.45Å; D98-R100 PolarHBondContact OD1-N 3.19Å; R100-F102 HydrophobicContact CB-CD2 3.56Å; R100-F102 HydrophobicContact CB-CE2 3.54Å; R100-F102 HydrophobicContact CG-CE2 4.44Å; R100-R132 WeakPolarHBondContact O-CB 3.38Å; R100-R132 VanDerWaalsContact O-CG 3.31Å; R100-R132 WeakPolarHBondContact O-CG 3.43Å; R100-R132 PolarHBondContact O-N 3.21Å; R100-R132 VanDerWaalsContact O-N 3.09Å |
| 101 | G | 91.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 90.5 | 5.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q97 D98 A131 | Q97-G101 WeakPolarHBondContact CG-O 3.47Å; Q97-G101 PolarHBondContact NE2-O 3.35Å; D98-G101 PolarHBondContact O-N 2.97Å; D98-G101 PolarHBondContact OD1-N 3.06Å; G101-A131 WeakPolarHBondContact O-CA 3.24Å |
| 102 | F | 94.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -78.8 | 136.6 | -177.6 | -66.6 | -78.5 | 0 | 0 | 0 | 112.3 | H72 Q97 D98 R100 M106 A131 E135 L140 | H72-F102 PolarHBondContact CD2-O 2.97Å; H72-F102 PolarHBondContact NE2-O 2.79Å; H72-F102 VanDerWaalsContact NE2-O 3.16Å; Q97-F102 WeakPolarHBondContact CA-O 3.39Å; D98-F102 PolarHBondContact N-O 2.88Å; D98-F102 PolarHBondContact OD1-N 3.16Å; R100-F102 HydrophobicContact CB-CD2 3.56Å; R100-F102 HydrophobicContact CB-CE2 3.54Å; R100-F102 HydrophobicContact CG-CE2 4.44Å; F102-M106 HydrophobicContact CB-CB 4.26Å; F102-M106 HydrophobicContact CB-SD 4.19Å; F102-M106 HydrophobicContact CD1-CB 3.74Å; F102-M106 HydrophobicContact CD1-CG 4.26Å; F102-M106 HydrophobicContact CD1-SD 3.63Å; F102-M106 HydrophobicContact CG-CB 4.48Å; F102-M106 HydrophobicContact CG-SD 4.32Å; F102-A131 HydrophobicContact CD1-CB 3.95Å; F102-A131 HydrophobicContact CE1-CB 3.92Å; F102-A131 HydrophobicContact CG-CB 4.35Å; F102-A131 HydrophobicContact CZ-CB 4.23Å; F102-E135 HydrophobicContact CE1-CB 4.06Å; F102-E135 HydrophobicContact CZ-CB 4.47Å; F102-E135 WeakPolarHBondContact CZ-OE2 3.48Å; F102-L140 HydrophobicContact CD1-CD1 3.95Å; F102-L140 HydrophobicContact CE1-CD1 3.73Å; F102-L140 HydrophobicContact CE1-CD2 4.18Å; F102-L140 HydrophobicContact CE1-CG 4.49Å | ||
| 103 | T | 95.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | trans | -86.9 | 164.1 | 170.8 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | Q97 L105 M106 W107 A129 | Q97-T103 HydrophobicContact CG-CG2 4.09Å; T103-L105 PolarHBondContact O-N 2.95Å; T103-M106 HydrophobicContact CG2-CE 4.49Å; T103-M106 HydrophobicContact CG2-SD 4.43Å; T103-M106 PolarHBondContact N-SD 3.43Å; T103-M106 WeakPolarHBondContact O-CB 3.42Å; T103-M106 PolarHBondContact O-N 3.19Å; T103-M106 VanDerWaalsContact O-N 3.09Å; T103-M106 WeakPolarHBondContact OG1-CG 3.27Å; T103-M106 PolarHBondContact OG1-N 3.07Å; T103-W107 PolarHBondContact O-N 3.31Å; T103-W107 VanDerWaalsContact O-N 3.15Å; T103-A129 HydrophobicContact CG2-CB 3.86Å | ||
| 104 | P | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56 | -35.7 | 173.2 | -25.5 | 35.3 | 0 | 0 | 0 | 112.6 | I71 A75 V93 T96 M106 W107 A108 L120 | I71-P104 HydrophobicContact CG1-CB 4.42Å; I71-P104 HydrophobicContact CG1-CG 3.97Å; I71-P104 HydrophobicContact CG2-CG 4Å; A75-P104 HydrophobicContact CB-CB 3.8Å; A75-P104 VanDerWaalsContact CB-O 3.32Å; A75-P104 WeakPolarHBondContact CB-O 3.43Å; V93-P104 WeakPolarHBondContact O-CG 3.49Å; T96-P104 WeakPolarHBondContact O-CD 3.34Å; P104-M106 VanDerWaalsContact C-N 3.34Å; P104-M106 PolarHBondContact O-N 3.48Å; P104-W107 PolarHBondContact O-N 3.37Å; P104-A108 PolarHBondContact O-N 3.07Å; P104-L120 HydrophobicContact CB-CD1 4.06Å; P104-L120 HydrophobicContact CB-CD2 4.39Å |
| 105 | L | 97.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.1 | 178.9 | 64.2 | 0 | 0 | 0 | 111.7 | T103 A108 A109 V117 L120 L121 A125 P127 A137 L153 | T103-L105 PolarHBondContact O-N 2.95Å; L105-A108 PolarHBondContact O-N 2.88Å; L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.33Å; L105-A109 PolarHBondContact O-N 3.07Å; L105-V117 HydrophobicContact CD1-CB 4.35Å; L105-V117 HydrophobicContact CD1-CG1 3.97Å; L105-V117 HydrophobicContact CD1-CG2 4.32Å; L105-L120 HydrophobicContact CB-CD1 4.29Å; L105-L120 HydrophobicContact CD1-CB 4.18Å; L105-L121 HydrophobicContact CD1-CD2 4.16Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 3.82Å; L105-A125 HydrophobicContact CB-CB 4.34Å; L105-A125 HydrophobicContact CD2-CB 4.31Å; L105-P127 HydrophobicContact CD2-CB 4.16Å; L105-A137 HydrophobicContact CD2-CB 4.42Å; L105-A137 HydrophobicContact CG-CB 4.19Å; L105-L153 HydrophobicContact CD1-CD2 4.49Å; L105-L153 HydrophobicContact CD2-CD2 4.4Å |
| 106 | M | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 176.5 | -70.1 | 168.8 | -179.4 | 0 | 0 | 112.4 | F102 T103 P104 A109 A110 A129 A131 A137 L140 | F102-M106 HydrophobicContact CB-CB 4.26Å; F102-M106 HydrophobicContact CB-SD 4.19Å; F102-M106 HydrophobicContact CD1-CB 3.74Å; F102-M106 HydrophobicContact CD1-CG 4.26Å; F102-M106 HydrophobicContact CD1-SD 3.63Å; F102-M106 HydrophobicContact CG-CB 4.48Å; F102-M106 HydrophobicContact CG-SD 4.32Å; T103-M106 HydrophobicContact CG2-CE 4.49Å; T103-M106 HydrophobicContact CG2-SD 4.43Å; T103-M106 PolarHBondContact N-SD 3.43Å; T103-M106 WeakPolarHBondContact O-CB 3.42Å; T103-M106 PolarHBondContact O-N 3.19Å; T103-M106 VanDerWaalsContact O-N 3.09Å; T103-M106 WeakPolarHBondContact OG1-CG 3.27Å; T103-M106 PolarHBondContact OG1-N 3.07Å; P104-M106 VanDerWaalsContact C-N 3.34Å; P104-M106 PolarHBondContact O-N 3.48Å; M106-A109 PolarHBondContact O-N 2.99Å; M106-A110 VanDerWaalsContact O-CB 3.26Å; M106-A110 WeakPolarHBondContact O-CB 3.44Å; M106-A110 PolarHBondContact O-N 3.33Å; M106-A129 HydrophobicContact CE-CB 3.94Å; M106-A129 WeakPolarHBondContact CE-O 3.45Å; M106-A131 HydrophobicContact CE-CB 4.49Å; M106-A131 HydrophobicContact SD-CB 4.12Å; M106-A137 HydrophobicContact CG-CB 4.22Å; M106-L140 HydrophobicContact CB-CD1 3.61Å; M106-L140 HydrophobicContact CG-CD1 4.08Å; M106-L140 WeakPolarHBondContact O-CD1 3.13Å |
| 107 | W | 95.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.6 | -83.9 | 89.5 | 0 | 0 | 0 | 111.4 | H72 A76 D98 T103 P104 A109 A110 F111 | H72-W107 HydrophobicContact CB-CD2 4.24Å; H72-W107 HydrophobicContact CB-CG 3.95Å; H72-W107 AromaticContact CD2-CD1 3.8Å; H72-W107 WeakPolarHBondContact O-CB 3.27Å; A76-W107 HydrophobicContact CB-CB 4.28Å; A76-W107 HydrophobicContact CB-CD2 4.47Å; A76-W107 HydrophobicContact CB-CE3 3.67Å; A76-W107 HydrophobicContact CB-CZ3 4.41Å; D98-W107 PolarHBondContact OD2-NE1 2.97Å; T103-W107 PolarHBondContact O-N 3.31Å; T103-W107 VanDerWaalsContact O-N 3.15Å; P104-W107 PolarHBondContact O-N 3.37Å; W107-A109 VanDerWaalsContact C-N 3.32Å; W107-A109 PolarHBondContact O-N 3.33Å; W107-A110 PolarHBondContact O-N 3.05Å; W107-F111 HydrophobicContact CE3-CD2 4.05Å; W107-F111 AromaticContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CE2 3.41Å; W107-F111 VanDerWaalsContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CZ 4.19Å; W107-F111 AromaticContact CZ3-CE2 3.56Å; W107-F111 HydrophobicContact CZ3-CE2 3.56Å; W107-F111 AromaticContact CZ3-CZ 3.94Å; W107-F111 HydrophobicContact CZ3-CZ 3.94Å; W107-F111 VanDerWaalsContact O-CD2 3.29Å; W107-F111 WeakPolarHBondContact O-CD2 3.4Å; W107-F111 PolarHBondContact O-N 3.41Å; W107-F111 VanDerWaalsContact O-N 3.16Å |
| 108 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A75 P104 L105 A110 F111 G112 E113 M116 V117 L120 | A75-A108 HydrophobicContact CB-CB 4.41Å; P104-A108 PolarHBondContact O-N 3.07Å; L105-A108 PolarHBondContact O-N 2.88Å; A108-A110 PolarHBondContact O-N 2.97Å; A108-F111 PolarHBondContact O-N 3.17Å; A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.12Å; A108-E113 HydrophobicContact CB-CB 4.32Å; A108-E113 PolarHBondContact O-N 2.89Å; A108-M116 HydrophobicContact CB-CB 3.98Å; A108-M116 HydrophobicContact CB-CG 3.65Å; A108-V117 HydrophobicContact CB-CG2 3.75Å; A108-L120 HydrophobicContact CB-CD1 4.21Å |
| 109 | A | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L105 M106 W107 F111 V117 A137 A141 Y146 I149 | L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.33Å; L105-A109 PolarHBondContact O-N 3.07Å; M106-A109 PolarHBondContact O-N 2.99Å; W107-A109 VanDerWaalsContact C-N 3.32Å; W107-A109 PolarHBondContact O-N 3.33Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 3.02Å; A109-V117 HydrophobicContact CB-CG2 4.32Å; A109-A137 HydrophobicContact CB-CB 4.07Å; A109-A141 HydrophobicContact CB-CB 4.33Å; A109-Y146 VanDerWaalsContact O-CD2 3.26Å; A109-Y146 WeakPolarHBondContact O-CD2 3.36Å; A109-I149 HydrophobicContact CB-CG2 4.09Å |
| 110 | A | 95.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.8 | -26 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N52 M106 W107 A108 L140 Y146 | N52-A110 PolarHBondContact ND2-O 3.41Å; M106-A110 VanDerWaalsContact O-CB 3.26Å; M106-A110 WeakPolarHBondContact O-CB 3.44Å; M106-A110 PolarHBondContact O-N 3.33Å; W107-A110 PolarHBondContact O-N 3.05Å; A108-A110 PolarHBondContact O-N 2.97Å; A110-L140 HydrophobicContact CB-CB 4.04Å; A110-L140 HydrophobicContact CB-CD1 4.25Å; A110-L140 HydrophobicContact CB-CD2 4.3Å; A110-L140 HydrophobicContact CB-CG 4.43Å; A110-Y146 WeakPolarHBondContact O-CE2 3.47Å |
| 111 | F | 93.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 18.3 Ų | 18.3 | 17% | 0.171 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -99.9 | -7.4 | -178.2 | -79.4 | -101 | 0 | 0 | 0 | 113.8 | N52 A76 W107 A108 A109 E113 Y146 | N52-F111 HydrophobicContact CB-CD1 4.18Å; N52-F111 HydrophobicContact CB-CE1 3.89Å; N52-F111 HydrophobicContact CB-CZ 4.38Å; A76-F111 HydrophobicContact CB-CD1 4.45Å; A76-F111 HydrophobicContact CB-CD2 3.83Å; A76-F111 HydrophobicContact CB-CE2 4.07Å; A76-F111 HydrophobicContact CB-CG 4.04Å; A76-F111 HydrophobicContact CB-CZ 4.48Å; W107-F111 HydrophobicContact CE3-CD2 4.05Å; W107-F111 AromaticContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CE2 3.41Å; W107-F111 VanDerWaalsContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CZ 4.19Å; W107-F111 AromaticContact CZ3-CE2 3.56Å; W107-F111 HydrophobicContact CZ3-CE2 3.56Å; W107-F111 AromaticContact CZ3-CZ 3.94Å; W107-F111 HydrophobicContact CZ3-CZ 3.94Å; W107-F111 VanDerWaalsContact O-CD2 3.29Å; W107-F111 WeakPolarHBondContact O-CD2 3.4Å; W107-F111 PolarHBondContact O-N 3.41Å; W107-F111 VanDerWaalsContact O-N 3.16Å; A108-F111 PolarHBondContact O-N 3.17Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 3.02Å; F111-E113 HydrophobicContact CB-CG 4.28Å; F111-Y146 PolarHBondContact O-OH 3.16Å |
| 112 | G | 94.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 21% | 0.206 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 19.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A108 K114 Y146 I149 | A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.12Å; G112-K114 VanDerWaalsContact C-N 3.31Å; G112-K114 PolarHBondContact O-N 2.88Å; G112-Y146 VanDerWaalsContact N-CE2 3.35Å; G112-I149 VanDerWaalsContact C-CD1 3.46Å; G112-I149 VanDerWaalsContact CA-CD1 3.5Å |
| 113 | E | 96.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 30% | 0.304 | 16% | 0.159 | S | C | . | . | trans | -82.4 | 76.1 | -176.3 | -65.2 | -56.5 | 148.8 | 0 | 0 | 111.2 | A76 A108 F111 A115 M116 V117 | A76-E113 WeakPolarHBondContact O-CG 3.22Å; A108-E113 HydrophobicContact CB-CB 4.32Å; A108-E113 PolarHBondContact O-N 2.89Å; F111-E113 HydrophobicContact CB-CG 4.28Å; E113-A115 PolarHBondContact O-N 2.86Å; E113-M116 HydrophobicContact CB-CB 3.87Å; E113-M116 WeakPolarHBondContact O-CB 3.4Å; E113-M116 PolarHBondContact O-N 3.36Å; E113-M116 VanDerWaalsContact O-N 3.1Å; E113-V117 PolarHBondContact O-N 2.91Å | ||
| 114 | K | 95.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 18% | 0.183 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.7 | -48.3 | -174.7 | 174.6 | 59.1 | 177.8 | 162.5 | 0 | 113.8 | G112 M116 V117 D118 D148 I149 S152 | G112-K114 VanDerWaalsContact C-N 3.31Å; G112-K114 PolarHBondContact O-N 2.88Å; K114-M116 PolarHBondContact O-N 3.39Å; K114-V117 PolarHBondContact O-N 3.36Å; K114-D118 WeakPolarHBondContact CE-OD2 3.36Å; K114-D118 VanDerWaalsContact NZ-CG 3.28Å; K114-D118 IonicContact NZ-OD1 2.78Å; K114-D118 PolarHBondContact NZ-OD1 3.38Å; K114-D118 IonicContact NZ-OD2 2.96Å; K114-D118 PolarHBondContact NZ-OD2 3.01Å; K114-D118 PolarHBondContact O-N 2.93Å; K114-D148 WeakPolarHBondContact CB-OD2 3.44Å; K114-D148 HydrophobicContact CD-CB 4.08Å; K114-D148 WeakPolarHBondContact CE-O 3.49Å; K114-D148 VanDerWaalsContact CG-OD2 3.24Å; K114-D148 WeakPolarHBondContact CG-OD2 3.33Å; K114-D148 PolarHBondContact NZ-O 3.35Å; K114-I149 HydrophobicContact CB-CG1 4.15Å; K114-I149 HydrophobicContact CD-CG1 3.89Å; K114-S152 PolarHBondContact NZ-OG 2.99Å |
| 115 | A | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 56% | 0.562 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.2 | -35.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | E113 F119 | E113-A115 PolarHBondContact O-N 2.86Å; A115-F119 VanDerWaalsContact O-CB 3.29Å; A115-F119 WeakPolarHBondContact O-CB 3.5Å; A115-F119 PolarHBondContact O-N 3.29Å |
| 116 | M | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.8 | -42.3 | 176.1 | -175.9 | 62.2 | 69.4 | 0 | 0 | 111.9 | A75 G78 D79 V80 V83 A108 E113 K114 D118 F119 L120 | A75-M116 HydrophobicContact CB-CG 4.16Å; G78-M116 VanDerWaalsContact C-CE 3.48Å; D79-M116 WeakPolarHBondContact O-CE 3.35Å; V80-M116 VanDerWaalsContact CA-CE 3.45Å; V80-M116 HydrophobicContact CB-CE 4.2Å; V80-M116 HydrophobicContact CG2-CE 3.73Å; V80-M116 HydrophobicContact CG2-SD 4.28Å; V80-M116 VanDerWaalsContact N-CE 3.28Å; V83-M116 HydrophobicContact CB-CE 3.92Å; V83-M116 HydrophobicContact CB-SD 3.93Å; V83-M116 HydrophobicContact CG1-CE 4.49Å; V83-M116 HydrophobicContact CG1-SD 3.84Å; V83-M116 HydrophobicContact CG2-CE 3.51Å; V83-M116 HydrophobicContact CG2-SD 3.86Å; A108-M116 HydrophobicContact CB-CB 3.98Å; A108-M116 HydrophobicContact CB-CG 3.65Å; E113-M116 HydrophobicContact CB-CB 3.87Å; E113-M116 WeakPolarHBondContact O-CB 3.4Å; E113-M116 PolarHBondContact O-N 3.36Å; E113-M116 VanDerWaalsContact O-N 3.1Å; K114-M116 PolarHBondContact O-N 3.39Å; M116-D118 PolarHBondContact O-N 2.85Å; M116-F119 PolarHBondContact O-N 3.31Å; M116-F119 HydrophobicContact SD-CD1 4.24Å; M116-L120 HydrophobicContact CG-CD1 3.85Å; M116-L120 HydrophobicContact CG-CG 4.28Å; M116-L120 WeakPolarHBondContact O-CB 3.49Å; M116-L120 VanDerWaalsContact O-CG 3.26Å; M116-L120 WeakPolarHBondContact O-CG 3.46Å; M116-L120 PolarHBondContact O-N 2.92Å; M116-L120 HydrophobicContact SD-CD1 4.2Å; M116-L120 HydrophobicContact SD-CG 4.12Å |
| 117 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57 | -51.5 | 175 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | L105 A108 A109 E113 K114 F119 L120 L121 I149 L153 | L105-V117 HydrophobicContact CD1-CB 4.35Å; L105-V117 HydrophobicContact CD1-CG1 3.97Å; L105-V117 HydrophobicContact CD1-CG2 4.32Å; A108-V117 HydrophobicContact CB-CG2 3.75Å; A109-V117 HydrophobicContact CB-CG2 4.32Å; E113-V117 PolarHBondContact O-N 2.91Å; K114-V117 PolarHBondContact O-N 3.36Å; V117-F119 VanDerWaalsContact C-N 3.34Å; V117-F119 PolarHBondContact O-N 3.3Å; V117-L120 PolarHBondContact O-N 3.27Å; V117-L121 HydrophobicContact CG1-CD1 3.66Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 WeakPolarHBondContact O-CB 3.44Å; V117-L121 VanDerWaalsContact O-CG 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.43Å; V117-L121 PolarHBondContact O-N 3.33Å; V117-I149 HydrophobicContact CG1-CG2 4.22Å; V117-I149 HydrophobicContact CG2-CD1 4.08Å; V117-I149 HydrophobicContact CG2-CG1 4.29Å; V117-I149 HydrophobicContact CG2-CG2 4.03Å; V117-L153 HydrophobicContact CG1-CD2 4.49Å |
| 118 | D | 97 | Very high | 95.7 | Very high | 44 Ų | 44 | 40 Ų | 40 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | -178.7 | -68.8 | -14.4 | 0 | 0 | 0 | 110.9 | K114 M116 L120 L121 E122 S152 | K114-D118 WeakPolarHBondContact CE-OD2 3.36Å; K114-D118 VanDerWaalsContact NZ-CG 3.28Å; K114-D118 IonicContact NZ-OD1 2.78Å; K114-D118 PolarHBondContact NZ-OD1 3.38Å; K114-D118 IonicContact NZ-OD2 2.96Å; K114-D118 PolarHBondContact NZ-OD2 3.01Å; K114-D118 PolarHBondContact O-N 2.93Å; M116-D118 PolarHBondContact O-N 2.85Å; D118-L120 PolarHBondContact O-N 3.37Å; D118-L121 PolarHBondContact O-N 3.03Å; D118-E122 WeakPolarHBondContact O-CB 3.44Å; D118-E122 VanDerWaalsContact O-CG 3.29Å; D118-E122 WeakPolarHBondContact O-CG 3.37Å; D118-E122 PolarHBondContact O-N 2.9Å; D118-S152 WeakPolarHBondContact OD1-CB 3.38Å; D118-S152 PolarHBondContact OD1-OG 3.46Å |
| 119 | F | 96.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 174.1 | 174.5 | -96.4 | 0 | 0 | 0 | 112.8 | V80 V83 A84 A115 M116 V117 L121 E122 K123 | V80-F119 HydrophobicContact CG1-CB 4.19Å; V80-F119 HydrophobicContact CG1-CD1 4.19Å; V80-F119 HydrophobicContact CG1-CD2 3.73Å; V80-F119 HydrophobicContact CG1-CE2 4.14Å; V80-F119 HydrophobicContact CG1-CG 3.75Å; V83-F119 HydrophobicContact CG1-CD1 4.39Å; V83-F119 HydrophobicContact CG1-CE1 3.99Å; A84-F119 HydrophobicContact CB-CE1 4.26Å; A84-F119 HydrophobicContact CB-CE2 3.98Å; A84-F119 HydrophobicContact CB-CZ 3.47Å; A84-F119 VanDerWaalsContact CB-CZ 3.47Å; A115-F119 VanDerWaalsContact O-CB 3.29Å; A115-F119 WeakPolarHBondContact O-CB 3.5Å; A115-F119 PolarHBondContact O-N 3.29Å; M116-F119 PolarHBondContact O-N 3.31Å; M116-F119 HydrophobicContact SD-CD1 4.24Å; V117-F119 VanDerWaalsContact C-N 3.34Å; V117-F119 PolarHBondContact O-N 3.3Å; F119-L121 PolarHBondContact O-N 2.99Å; F119-E122 PolarHBondContact O-N 2.92Å; F119-K123 HydrophobicContact CD1-CG 4.36Å; F119-K123 HydrophobicContact CD2-CG 4.44Å; F119-K123 HydrophobicContact CE1-CG 3.89Å; F119-K123 HydrophobicContact CE2-CD 4.34Å; F119-K123 HydrophobicContact CE2-CG 4Å; F119-K123 HydrophobicContact CZ-CD 4.21Å; F119-K123 HydrophobicContact CZ-CG 3.68Å; F119-K123 VanDerWaalsContact O-CG 3.29Å; F119-K123 WeakPolarHBondContact O-CG 3.47Å; F119-K123 PolarHBondContact O-N 3.28Å |
| 120 | L | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | -178.8 | -73.1 | 171 | 0 | 0 | 0 | 111.6 | A75 V83 L94 P104 L105 A108 M116 V117 D118 K123 G124 A125 | A75-L120 HydrophobicContact CB-CD1 4.38Å; V83-L120 HydrophobicContact CG1-CD2 3.98Å; L94-L120 HydrophobicContact CD2-CD2 3.65Å; P104-L120 HydrophobicContact CB-CD1 4.06Å; P104-L120 HydrophobicContact CB-CD2 4.39Å; L105-L120 HydrophobicContact CB-CD1 4.29Å; L105-L120 HydrophobicContact CD1-CB 4.18Å; A108-L120 HydrophobicContact CB-CD1 4.21Å; M116-L120 HydrophobicContact CG-CD1 3.85Å; M116-L120 HydrophobicContact CG-CG 4.28Å; M116-L120 WeakPolarHBondContact O-CB 3.49Å; M116-L120 VanDerWaalsContact O-CG 3.26Å; M116-L120 WeakPolarHBondContact O-CG 3.46Å; M116-L120 PolarHBondContact O-N 2.92Å; M116-L120 HydrophobicContact SD-CD1 4.2Å; M116-L120 HydrophobicContact SD-CG 4.12Å; V117-L120 PolarHBondContact O-N 3.27Å; D118-L120 PolarHBondContact O-N 3.37Å; L120-K123 PolarHBondContact O-N 3.02Å; L120-G124 PolarHBondContact O-N 2.87Å; L120-A125 HydrophobicContact CB-CB 4.01Å; L120-A125 WeakPolarHBondContact O-CB 3.43Å; L120-A125 PolarHBondContact O-N 3.34Å |
| 121 | L | 96.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.5 | -67.8 | 168.9 | 0 | 0 | 0 | 111.4 | L105 V117 D118 F119 K123 G124 P127 L153 H156 | L105-L121 HydrophobicContact CD1-CD2 4.16Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 3.82Å; V117-L121 HydrophobicContact CG1-CD1 3.66Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 WeakPolarHBondContact O-CB 3.44Å; V117-L121 VanDerWaalsContact O-CG 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.43Å; V117-L121 PolarHBondContact O-N 3.33Å; D118-L121 PolarHBondContact O-N 3.03Å; F119-L121 PolarHBondContact O-N 2.99Å; L121-K123 PolarHBondContact O-N 3.41Å; L121-G124 PolarHBondContact O-N 3.25Å; L121-P127 HydrophobicContact CD2-CB 3.76Å; L121-P127 HydrophobicContact CD2-CG 4.37Å; L121-L153 HydrophobicContact CD1-CD2 4.29Å; L121-L153 HydrophobicContact CD2-CD2 4.41Å; L121-H156 HydrophobicContact CD2-CB 4.5Å |
| 122 | E | 95.4 | Very high | 95.5 | Very high | 157 Ų | 157 | 49.9 Ų | 49.9 | 73% | 0.734 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -31.7 | 174.8 | -75.2 | 175.3 | -174.4 | 0 | 0 | 112.7 | D118 F119 G124 | D118-E122 WeakPolarHBondContact O-CB 3.44Å; D118-E122 VanDerWaalsContact O-CG 3.29Å; D118-E122 WeakPolarHBondContact O-CG 3.37Å; D118-E122 PolarHBondContact O-N 2.9Å; F119-E122 PolarHBondContact O-N 2.92Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 2.98Å |
| 123 | K | 94.7 | Very high | 95.4 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.1 | 174.6 | -65.9 | -59.6 | 177.9 | -171.8 | 0 | 114 | V87 L94 F119 L120 L121 | V87-K123 HydrophobicContact CG1-CB 4.3Å; V87-K123 HydrophobicContact CG1-CD 4.4Å; V87-K123 HydrophobicContact CG1-CG 4.25Å; L94-K123 HydrophobicContact CD1-CB 3.99Å; L94-K123 WeakPolarHBondContact CD1-O 3.44Å; L94-K123 HydrophobicContact CD2-CB 4.09Å; F119-K123 HydrophobicContact CD1-CG 4.36Å; F119-K123 HydrophobicContact CD2-CG 4.44Å; F119-K123 HydrophobicContact CE1-CG 3.89Å; F119-K123 HydrophobicContact CE2-CD 4.34Å; F119-K123 HydrophobicContact CE2-CG 4Å; F119-K123 HydrophobicContact CZ-CD 4.21Å; F119-K123 HydrophobicContact CZ-CG 3.68Å; F119-K123 VanDerWaalsContact O-CG 3.29Å; F119-K123 WeakPolarHBondContact O-CG 3.47Å; F119-K123 PolarHBondContact O-N 3.28Å; L120-K123 PolarHBondContact O-N 3.02Å; L121-K123 PolarHBondContact O-N 3.41Å |
| 124 | G | 93.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 55 Ų | 55 | 59% | 0.588 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 24.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L120 L121 E122 | L120-G124 PolarHBondContact O-N 2.87Å; L121-G124 PolarHBondContact O-N 3.25Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 2.98Å |
| 125 | A | 95.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 28% | 0.283 | C | S | . | . | trans | -60.1 | 136.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L94 L105 L120 P127 | L94-A125 HydrophobicContact CB-CB 4.45Å; L94-A125 HydrophobicContact CD2-CB 4.46Å; L105-A125 HydrophobicContact CB-CB 4.34Å; L105-A125 HydrophobicContact CD2-CB 4.31Å; L120-A125 HydrophobicContact CB-CB 4.01Å; L120-A125 WeakPolarHBondContact O-CB 3.43Å; L120-A125 PolarHBondContact O-N 3.34Å; A125-P127 VanDerWaalsContact O-CD 3.22Å; A125-P127 WeakPolarHBondContact O-CD 3.49Å | ||
| 126 | D | 95.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | trans | -73.6 | 113.2 | 179.1 | -179.8 | 10.2 | 0 | 0 | 0 | 110.7 | N128 A129 | D126-N128 VanDerWaalsContact C-N 3.25Å; D126-N128 PolarHBondContact O-N 3.3Å; D126-N128 WeakPolarHBondContact OD1-CB 3.4Å; D126-N128 PolarHBondContact OD1-N 2.99Å; D126-A129 HydrophobicContact CB-CB 4.46Å; D126-A129 PolarHBondContact O-N 2.96Å | ||
| 127 | P | 95.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.3 | 179.1 | 36.7 | -39.4 | 0 | 0 | 0 | 113.2 | L105 L121 A125 L153 H156 V158 | L105-P127 HydrophobicContact CD2-CB 4.16Å; L121-P127 HydrophobicContact CD2-CB 3.76Å; L121-P127 HydrophobicContact CD2-CG 4.37Å; A125-P127 VanDerWaalsContact O-CD 3.22Å; A125-P127 WeakPolarHBondContact O-CD 3.49Å; P127-L153 HydrophobicContact CB-CD2 4.37Å; P127-H156 HydrophobicContact CB-CB 4.41Å; P127-H156 HydrophobicContact CG-CB 4.07Å; P127-V158 HydrophobicContact CB-CG1 3.55Å; P127-V158 HydrophobicContact CG-CG1 4.08Å; P127-V158 WeakPolarHBondContact O-CG1 3.44Å |
| 128 | N | 95.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 1.1 | 178.2 | -66.9 | -64.3 | 0 | 0 | 0 | 113.2 | D126 V158 | D126-N128 VanDerWaalsContact C-N 3.25Å; D126-N128 PolarHBondContact O-N 3.3Å; D126-N128 WeakPolarHBondContact OD1-CB 3.4Å; D126-N128 PolarHBondContact OD1-N 2.99Å; N128-V158 WeakPolarHBondContact OD1-CA 3.43Å |
| 129 | A | 95.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | trans | -55.5 | 143.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T103 M106 D126 | T103-A129 HydrophobicContact CG2-CB 3.86Å; M106-A129 HydrophobicContact CE-CB 3.94Å; M106-A129 WeakPolarHBondContact CE-O 3.45Å; D126-A129 HydrophobicContact CB-CB 4.46Å; D126-A129 PolarHBondContact O-N 2.96Å | ||
| 130 | I | 95.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 42% | 0.415 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -124.1 | 139 | 177.4 | 56.9 | 174.2 | 0 | 0 | 0 | 110 | Q97 R134 E135 | Q97-I130 PolarHBondContact NE2-O 2.95Å; I130-R134 HydrophobicContact CD1-CG 4.46Å; I130-E135 WeakPolarHBondContact CA-O 3.49Å |
| 131 | A | 93.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | trans | -76.2 | -179.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G101 F102 M106 E133 R134 E135 | G101-A131 WeakPolarHBondContact O-CA 3.24Å; F102-A131 HydrophobicContact CD1-CB 3.95Å; F102-A131 HydrophobicContact CE1-CB 3.92Å; F102-A131 HydrophobicContact CG-CB 4.35Å; F102-A131 HydrophobicContact CZ-CB 4.23Å; M106-A131 HydrophobicContact CE-CB 4.49Å; M106-A131 HydrophobicContact SD-CB 4.12Å; A131-E133 VanDerWaalsContact C-N 3.3Å; A131-E133 PolarHBondContact O-N 2.95Å; A131-R134 WeakPolarHBondContact O-CA 3.11Å; A131-R134 PolarHBondContact O-N 3.34Å; A131-E135 HydrophobicContact CB-CB 4.12Å; A131-E135 PolarHBondContact N-O 2.58Å | ||
| 132 | R | 92.8 | Very high | 95.5 | Very high | 155 Ų | 155 | 48.1 Ų | 48.1 | 59% | 0.585 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -41.8 | -177.2 | -72.2 | -178.6 | -177.2 | 179.4 | 7.5 | 112.8 | D99 R100 R134 W165 | D99-R132 PolarHBondContact O-NE 2.78Å; D99-R132 PolarHBondContact O-NH1 2.89Å; D99-R132 PolarHBondContact O-NH2 2.86Å; D99-R132 VanDerWaalsContact O-NH2 3.13Å; R100-R132 WeakPolarHBondContact O-CB 3.38Å; R100-R132 VanDerWaalsContact O-CG 3.31Å; R100-R132 WeakPolarHBondContact O-CG 3.43Å; R100-R132 PolarHBondContact O-N 3.21Å; R100-R132 VanDerWaalsContact O-N 3.09Å; R132-R134 PolarHBondContact O-N 3.01Å; R132-W165 WeakPolarHBondContact O-CZ3 3.36Å |
| 133 | E | 92.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 17.3 | 177.4 | -55.9 | -57.2 | 131.8 | 0 | 0 | 113.1 | A131 E135 D164 W165 | A131-E133 VanDerWaalsContact C-N 3.3Å; A131-E133 PolarHBondContact O-N 2.95Å; E133-E135 HydrophobicContact CB-CG 4.45Å; E133-E135 PolarHBondContact O-N 3.47Å; E133-D164 WeakPolarHBondContact O-CB 3.13Å; E133-W165 PolarHBondContact O-N 3.17Å |
| 134 | R | 94.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 37.5 Ų | 37.5 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | trans | 63.2 | 17.7 | -175.7 | -57 | -176.1 | 67.9 | -157.7 | 0.1 | 115.4 | I130 A131 R132 S136 Y163 D164 W165 | I130-R134 HydrophobicContact CD1-CG 4.46Å; A131-R134 WeakPolarHBondContact O-CA 3.11Å; A131-R134 PolarHBondContact O-N 3.34Å; R132-R134 PolarHBondContact O-N 3.01Å; R134-S136 PolarHBondContact O-N 2.97Å; R134-Y163 VanDerWaalsContact CZ-O 3.24Å; R134-Y163 PolarHBondContact NH1-O 3.37Å; R134-D164 HydrophobicContact CB-CB 4.27Å; R134-W165 HydrophobicContact CG-CD2 4.15Å; R134-W165 HydrophobicContact CG-CG 4.33Å; R134-W165 HydrophobicContact CG-CZ2 4.26Å | ||
| 135 | E | 94.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | trans | -61.5 | 134.1 | 170.5 | -63 | 165.7 | 93.9 | 0 | 0 | 109.8 | F102 I130 A131 E133 | F102-E135 HydrophobicContact CE1-CB 4.06Å; F102-E135 HydrophobicContact CZ-CB 4.47Å; F102-E135 WeakPolarHBondContact CZ-OE2 3.48Å; I130-E135 WeakPolarHBondContact CA-O 3.49Å; A131-E135 HydrophobicContact CB-CB 4.12Å; A131-E135 PolarHBondContact N-O 2.58Å; E133-E135 HydrophobicContact CB-CG 4.45Å; E133-E135 PolarHBondContact O-N 3.47Å | ||
| 136 | S | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -110.2 | 162.1 | 176.8 | 73.9 | 0 | 0 | 0 | 0 | 110.3 | R134 L138 T139 L140 T162 | R134-S136 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact O-N 3.28Å; S136-L138 PolarHBondContact OG-N 3.38Å; S136-T139 PolarHBondContact N-OG1 3.01Å; S136-T139 PolarHBondContact O-N 3.24Å; S136-T139 PolarHBondContact O-OG1 3.31Å; S136-T139 VanDerWaalsContact O-OG1 3.06Å; S136-T139 PolarHBondContact OG-N 3.41Å; S136-L140 WeakPolarHBondContact O-CG 3.49Å; S136-L140 PolarHBondContact O-N 2.84Å; S136-L140 VanDerWaalsContact O-N 3.13Å; S136-T162 PolarHBondContact OG-OG1 3.01Å |
| 137 | A | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.5 | -33.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | L105 M106 A109 A141 L153 | L105-A137 HydrophobicContact CD2-CB 4.42Å; L105-A137 HydrophobicContact CG-CB 4.19Å; M106-A137 HydrophobicContact CG-CB 4.22Å; A109-A137 HydrophobicContact CB-CB 4.07Å; A137-A141 WeakPolarHBondContact O-CB 3.22Å; A137-A141 PolarHBondContact O-N 3.26Å; A137-L153 HydrophobicContact CB-CD1 3.94Å; A137-L153 HydrophobicContact CB-CD2 4.02Å |
| 138 | L | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.2 | -45.6 | 178.1 | -174.8 | 65.9 | 0 | 0 | 0 | 111.9 | S136 L140 A141 S142 V150 L153 L154 V158 D159 P170 L186 | S136-L138 PolarHBondContact O-N 3.28Å; S136-L138 PolarHBondContact OG-N 3.38Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.93Å; L138-A141 PolarHBondContact O-N 3.28Å; L138-S142 WeakPolarHBondContact O-CB 3.36Å; L138-S142 PolarHBondContact O-N 3Å; L138-S142 PolarHBondContact O-OG 3.29Å; L138-S142 VanDerWaalsContact O-OG 3.05Å; L138-V150 HydrophobicContact CD1-CB 4.33Å; L138-V150 HydrophobicContact CD1-CG1 3.98Å; L138-V150 HydrophobicContact CD1-CG2 4.21Å; L138-L153 HydrophobicContact CB-CD1 4.35Å; L138-L153 HydrophobicContact CD1-CB 4.28Å; L138-L153 HydrophobicContact CD1-CD1 4.4Å; L138-L154 HydrophobicContact CD1-CD2 4.35Å; L138-L154 HydrophobicContact CD1-CG 4.25Å; L138-L154 HydrophobicContact CD2-CD2 4.01Å; L138-V158 HydrophobicContact CB-CG2 4.36Å; L138-V158 HydrophobicContact CD1-CG2 4.49Å; L138-V158 HydrophobicContact CD2-CG2 3.8Å; L138-V158 HydrophobicContact CG-CG2 4.44Å; L138-D159 WeakPolarHBondContact CD2-O 3.39Å; L138-P170 HydrophobicContact CB-CG 4.38Å; L138-P170 HydrophobicContact CD2-CB 4.02Å; L138-P170 HydrophobicContact CD2-CG 3.6Å; L138-P170 HydrophobicContact CG-CB 3.91Å; L138-P170 HydrophobicContact CG-CG 3.73Å; L138-L186 HydrophobicContact CD1-CD2 4.46Å |
| 139 | T | 96.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.2 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | S136 S142 S143 P170 Y173 | S136-T139 PolarHBondContact N-OG1 3.01Å; S136-T139 PolarHBondContact O-N 3.24Å; S136-T139 PolarHBondContact O-OG1 3.31Å; S136-T139 VanDerWaalsContact O-OG1 3.06Å; S136-T139 PolarHBondContact OG-N 3.41Å; T139-S142 PolarHBondContact O-N 3.08Å; T139-S143 VanDerWaalsContact O-CB 3.28Å; T139-S143 WeakPolarHBondContact O-CB 3.39Å; T139-S143 PolarHBondContact O-N 3.11Å; T139-P170 HydrophobicContact CG2-CG 3.79Å; T139-Y173 HydrophobicContact CG2-CD2 4.27Å; T139-Y173 HydrophobicContact CG2-CE2 4.3Å |
| 140 | L | 96.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 176.5 | -64.8 | 167.4 | 0 | 0 | 0 | 112 | F102 M106 A110 S136 L138 S143 G144 | F102-L140 HydrophobicContact CD1-CD1 3.95Å; F102-L140 HydrophobicContact CE1-CD1 3.73Å; F102-L140 HydrophobicContact CE1-CD2 4.18Å; F102-L140 HydrophobicContact CE1-CG 4.49Å; M106-L140 HydrophobicContact CB-CD1 3.61Å; M106-L140 HydrophobicContact CG-CD1 4.08Å; M106-L140 WeakPolarHBondContact O-CD1 3.13Å; A110-L140 HydrophobicContact CB-CB 4.04Å; A110-L140 HydrophobicContact CB-CD1 4.25Å; A110-L140 HydrophobicContact CB-CD2 4.3Å; A110-L140 HydrophobicContact CB-CG 4.43Å; S136-L140 WeakPolarHBondContact O-CG 3.49Å; S136-L140 PolarHBondContact O-N 2.84Å; S136-L140 VanDerWaalsContact O-N 3.13Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.93Å; L140-S143 PolarHBondContact O-N 3.39Å; L140-G144 PolarHBondContact O-N 3.49Å; L140-G144 VanDerWaalsContact O-N 3.08Å |
| 141 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A109 A137 L138 G144 G145 Y146 I149 V150 L153 | A109-A141 HydrophobicContact CB-CB 4.33Å; A137-A141 WeakPolarHBondContact O-CB 3.22Å; A137-A141 PolarHBondContact O-N 3.26Å; L138-A141 PolarHBondContact O-N 3.28Å; A141-G144 CarbonylContact O-C 3.51Å; A141-G144 PolarHBondContact O-N 3.23Å; A141-G145 PolarHBondContact O-N 3.3Å; A141-Y146 PolarHBondContact O-N 3.48Å; A141-I149 HydrophobicContact CB-CB 4.21Å; A141-I149 HydrophobicContact CB-CG2 3.54Å; A141-V150 HydrophobicContact CB-CG2 3.82Å; A141-L153 HydrophobicContact CB-CD1 4.17Å |
| 142 | S | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | L138 T139 G144 G145 P170 H179 | L138-S142 WeakPolarHBondContact O-CB 3.36Å; L138-S142 PolarHBondContact O-N 3Å; L138-S142 PolarHBondContact O-OG 3.29Å; L138-S142 VanDerWaalsContact O-OG 3.05Å; T139-S142 PolarHBondContact O-N 3.08Å; S142-G144 VanDerWaalsContact C-N 3.34Å; S142-G145 PolarHBondContact O-N 3.47Å; S142-P170 VanDerWaalsContact CB-O 3.24Å; S142-P170 WeakPolarHBondContact CB-O 3.37Å; S142-H179 PolarHBondContact O-CD2 3.01Å |
| 143 | S | 96.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 25% | 0.245 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 173 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | T139 L140 G145 H179 | T139-S143 VanDerWaalsContact O-CB 3.28Å; T139-S143 WeakPolarHBondContact O-CB 3.39Å; T139-S143 PolarHBondContact O-N 3.11Å; L140-S143 PolarHBondContact O-N 3.39Å; S143-G145 VanDerWaalsContact C-N 3.35Å; S143-H179 PolarHBondContact O-CD2 2.92Å; S143-H179 PolarHBondContact O-NE2 3.09Å |
| 144 | G | 92.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 6% | 0.062 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.7 | -12.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L140 A141 S142 Y146 | L140-G144 PolarHBondContact O-N 3.49Å; L140-G144 VanDerWaalsContact O-N 3.08Å; A141-G144 CarbonylContact O-C 3.51Å; A141-G144 PolarHBondContact O-N 3.23Å; S142-G144 VanDerWaalsContact C-N 3.34Å; G144-Y146 VanDerWaalsContact C-N 3.31Å |
| 145 | G | 96.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 19.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A141 S142 S143 V147 H179 | A141-G145 PolarHBondContact O-N 3.3Å; S142-G145 PolarHBondContact O-N 3.47Å; S143-G145 VanDerWaalsContact C-N 3.35Å; G145-V147 PolarHBondContact O-N 3.19Å; G145-H179 VanDerWaalsContact CA-CD2 3.43Å; G145-H179 WeakPolarHBondContact CA-CD2 3.32Å; G145-H179 PolarHBondContact N-CD2 2.91Å; G145-H179 PolarHBondContact N-NE2 3.27Å |
| 146 | Y | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 27 Ų | 27 | 14% | 0.137 | 14% | 0.136 | C | C | . | . | trans | -80 | 82 | -177.1 | -52.2 | -59.1 | 0 | 0 | 0 | 111.1 | Q54 A109 A110 F111 G112 A141 G144 D148 I149 V150 | Q54-Y146 HydrophobicContact CG-CE1 4.47Å; A109-Y146 VanDerWaalsContact O-CD2 3.26Å; A109-Y146 WeakPolarHBondContact O-CD2 3.36Å; A110-Y146 WeakPolarHBondContact O-CE2 3.47Å; F111-Y146 PolarHBondContact O-OH 3.16Å; G112-Y146 VanDerWaalsContact N-CE2 3.35Å; A141-Y146 PolarHBondContact O-N 3.48Å; G144-Y146 VanDerWaalsContact C-N 3.31Å; Y146-D148 VanDerWaalsContact C-N 3.32Å; Y146-D148 PolarHBondContact O-N 3.01Å; Y146-I149 HydrophobicContact CD2-CD1 4.44Å; Y146-I149 HydrophobicContact CG-CD1 4.23Å; Y146-I149 PolarHBondContact O-N 3.13Å; Y146-I149 VanDerWaalsContact O-N 3.17Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 2.92Å | ||
| 147 | V | 97.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 20% | 0.2 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -41.7 | -172 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | G145 I149 V150 E151 K181 C182 A185 | G145-V147 PolarHBondContact O-N 3.19Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.06Å; V147-V150 WeakPolarHBondContact O-CB 3.23Å; V147-V150 PolarHBondContact O-N 2.98Å; V147-E151 WeakPolarHBondContact O-CB 3.48Å; V147-E151 WeakPolarHBondContact O-CG 3.41Å; V147-E151 PolarHBondContact O-N 2.93Å; V147-K181 HydrophobicContact CG2-CB 3.69Å; V147-C182 HydrophobicContact CG2-CB 4.15Å; V147-A185 HydrophobicContact CG1-CB 3.97Å |
| 148 | D | 97.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.3 | -34.1 | 179 | 58.2 | -27.2 | 0 | 0 | 0 | 113.2 | K114 Y146 S152 | K114-D148 WeakPolarHBondContact CB-OD2 3.44Å; K114-D148 HydrophobicContact CD-CB 4.08Å; K114-D148 WeakPolarHBondContact CE-O 3.49Å; K114-D148 VanDerWaalsContact CG-OD2 3.24Å; K114-D148 WeakPolarHBondContact CG-OD2 3.33Å; K114-D148 PolarHBondContact NZ-O 3.35Å; Y146-D148 VanDerWaalsContact C-N 3.32Å; Y146-D148 PolarHBondContact O-N 3.01Å; D148-S152 PolarHBondContact O-N 3.37Å |
| 149 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.3 | -47.2 | 172.1 | -66.3 | 179.5 | 0 | 0 | 0 | 110.2 | A109 G112 K114 V117 A141 Y146 V147 E151 S152 L153 | A109-I149 HydrophobicContact CB-CG2 4.09Å; G112-I149 VanDerWaalsContact C-CD1 3.46Å; G112-I149 VanDerWaalsContact CA-CD1 3.5Å; K114-I149 HydrophobicContact CB-CG1 4.15Å; K114-I149 HydrophobicContact CD-CG1 3.89Å; V117-I149 HydrophobicContact CG1-CG2 4.22Å; V117-I149 HydrophobicContact CG2-CD1 4.08Å; V117-I149 HydrophobicContact CG2-CG1 4.29Å; V117-I149 HydrophobicContact CG2-CG2 4.03Å; A141-I149 HydrophobicContact CB-CB 4.21Å; A141-I149 HydrophobicContact CB-CG2 3.54Å; Y146-I149 HydrophobicContact CD2-CD1 4.44Å; Y146-I149 HydrophobicContact CG-CD1 4.23Å; Y146-I149 PolarHBondContact O-N 3.13Å; Y146-I149 VanDerWaalsContact O-N 3.17Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.06Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 3.23Å; I149-S152 WeakPolarHBondContact O-CA 3.41Å; I149-S152 WeakPolarHBondContact O-CB 3.29Å; I149-S152 PolarHBondContact O-N 3.45Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.24Å; I149-L153 PolarHBondContact O-N 3.27Å |
| 150 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.2 | -48.9 | 176.3 | 165.8 | 0 | 0 | 0 | 0 | 110.6 | L138 A141 Y146 V147 S152 L153 L154 L186 | L138-V150 HydrophobicContact CD1-CB 4.33Å; L138-V150 HydrophobicContact CD1-CG1 3.98Å; L138-V150 HydrophobicContact CD1-CG2 4.21Å; A141-V150 HydrophobicContact CB-CG2 3.82Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 2.92Å; V147-V150 WeakPolarHBondContact O-CB 3.23Å; V147-V150 PolarHBondContact O-N 2.98Å; V150-S152 VanDerWaalsContact C-N 3.3Å; V150-S152 PolarHBondContact O-N 3.34Å; V150-L153 PolarHBondContact O-N 2.87Å; V150-L154 HydrophobicContact CG1-CD1 3.7Å; V150-L154 HydrophobicContact CG1-CG 4.41Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 3.23Å; V150-L186 HydrophobicContact CG1-CD2 3.91Å; V150-L186 HydrophobicContact CG1-CG 4.17Å |
| 151 | E | 97.4 | Very high | 96.6 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 41% | 0.407 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 176.5 | -73.8 | -179.4 | 176.2 | 0 | 0 | 112.9 | V147 I149 R155 A185 | V147-E151 WeakPolarHBondContact O-CB 3.48Å; V147-E151 WeakPolarHBondContact O-CG 3.41Å; V147-E151 PolarHBondContact O-N 2.93Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 3.23Å; E151-R155 WeakPolarHBondContact O-CG 3.42Å; E151-R155 PolarHBondContact O-N 3.27Å; E151-R155 VanDerWaalsContact O-N 3.13Å; E151-R155 PolarHBondContact O-NH1 3.48Å; E151-A185 HydrophobicContact CG-CB 4.43Å |
| 152 | S | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 175.6 | -126.4 | 0 | 0 | 0 | 0 | 112.7 | K114 D118 D148 I149 V150 L154 R155 H156 | K114-S152 PolarHBondContact NZ-OG 2.99Å; D118-S152 WeakPolarHBondContact OD1-CB 3.38Å; D118-S152 PolarHBondContact OD1-OG 3.46Å; D148-S152 PolarHBondContact O-N 3.37Å; I149-S152 WeakPolarHBondContact O-CA 3.41Å; I149-S152 WeakPolarHBondContact O-CB 3.29Å; I149-S152 PolarHBondContact O-N 3.45Å; V150-S152 VanDerWaalsContact C-N 3.3Å; V150-S152 PolarHBondContact O-N 3.34Å; S152-L154 VanDerWaalsContact C-N 3.35Å; S152-R155 VanDerWaalsContact CA-NH2 3.32Å; S152-R155 WeakPolarHBondContact O-CB 3.3Å; S152-R155 PolarHBondContact O-N 3.08Å; S152-R155 PolarHBondContact OG-NH2 3.07Å; S152-H156 PolarHBondContact O-N 2.97Å; S152-H156 PolarHBondContact O-ND1 2.96Å |
| 153 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 179.4 | -67.4 | 170 | 0 | 0 | 0 | 110.3 | L105 V117 L121 P127 A137 L138 A141 I149 V150 R155 H156 V158 | L105-L153 HydrophobicContact CD1-CD2 4.49Å; L105-L153 HydrophobicContact CD2-CD2 4.4Å; V117-L153 HydrophobicContact CG1-CD2 4.49Å; L121-L153 HydrophobicContact CD1-CD2 4.29Å; L121-L153 HydrophobicContact CD2-CD2 4.41Å; P127-L153 HydrophobicContact CB-CD2 4.37Å; A137-L153 HydrophobicContact CB-CD1 3.94Å; A137-L153 HydrophobicContact CB-CD2 4.02Å; L138-L153 HydrophobicContact CB-CD1 4.35Å; L138-L153 HydrophobicContact CD1-CB 4.28Å; L138-L153 HydrophobicContact CD1-CD1 4.4Å; A141-L153 HydrophobicContact CB-CD1 4.17Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.24Å; I149-L153 PolarHBondContact O-N 3.27Å; V150-L153 PolarHBondContact O-N 2.87Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.45Å; L153-H156 WeakPolarHBondContact O-CA 2.99Å; L153-H156 PolarHBondContact O-N 2.92Å; L153-V158 HydrophobicContact CB-CG1 4.33Å; L153-V158 HydrophobicContact CB-CG2 4.14Å; L153-V158 WeakPolarHBondContact O-CG2 3.5Å |
| 154 | L | 96.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 13% | 0.131 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -31.8 | 176.9 | -68 | 170.7 | 0 | 0 | 0 | 113 | L138 V150 S152 H156 G157 V158 I160 L186 K189 | L138-L154 HydrophobicContact CD1-CD2 4.35Å; L138-L154 HydrophobicContact CD1-CG 4.25Å; L138-L154 HydrophobicContact CD2-CD2 4.01Å; V150-L154 HydrophobicContact CG1-CD1 3.7Å; V150-L154 HydrophobicContact CG1-CG 4.41Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 3.23Å; S152-L154 VanDerWaalsContact C-N 3.35Å; L154-H156 PolarHBondContact O-N 3.39Å; L154-G157 PolarHBondContact O-N 2.89Å; L154-V158 HydrophobicContact CD2-CG2 3.96Å; L154-I160 HydrophobicContact CD1-CD1 4.35Å; L154-I160 HydrophobicContact CD2-CB 3.95Å; L154-I160 HydrophobicContact CD2-CD1 3.8Å; L154-I160 HydrophobicContact CD2-CG1 3.8Å; L154-L186 HydrophobicContact CD1-CD2 4.2Å; L154-K189 HydrophobicContact CD1-CB 4.11Å; L154-K189 HydrophobicContact CD1-CG 3.87Å |
| 155 | R | 96.2 | Very high | 96.4 | Very high | 147 Ų | 147 | 46 Ų | 46 | 56% | 0.555 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67 | -24.7 | 172 | -76.6 | -173 | -60.9 | -94.4 | 4.3 | 113.2 | E151 S152 L153 G157 | E151-R155 WeakPolarHBondContact O-CG 3.42Å; E151-R155 PolarHBondContact O-N 3.27Å; E151-R155 VanDerWaalsContact O-N 3.13Å; E151-R155 PolarHBondContact O-NH1 3.48Å; S152-R155 VanDerWaalsContact CA-NH2 3.32Å; S152-R155 WeakPolarHBondContact O-CB 3.3Å; S152-R155 PolarHBondContact O-N 3.08Å; S152-R155 PolarHBondContact OG-NH2 3.07Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.45Å; R155-G157 VanDerWaalsContact C-N 3.3Å |
| 156 | H | 95.7 | Very high | 96.1 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 40% | 0.398 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 15.6 | 178.6 | -69.8 | 79.7 | 0 | 0 | 0 | 113.2 | L121 P127 S152 L153 L154 V158 | L121-H156 HydrophobicContact CD2-CB 4.5Å; P127-H156 HydrophobicContact CB-CB 4.41Å; P127-H156 HydrophobicContact CG-CB 4.07Å; S152-H156 PolarHBondContact O-N 2.97Å; S152-H156 PolarHBondContact O-ND1 2.96Å; L153-H156 WeakPolarHBondContact O-CA 2.99Å; L153-H156 PolarHBondContact O-N 2.92Å; L154-H156 PolarHBondContact O-N 3.39Å; H156-V158 PolarHBondContact O-N 3.45Å |
| 157 | G | 91.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 27.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L154 R155 | L154-G157 PolarHBondContact O-N 2.89Å; R155-G157 VanDerWaalsContact C-N 3.3Å |
| 158 | V | 96.1 | Very high | 95.7 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | trans | -64.8 | 149.4 | 171.1 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | P127 N128 L138 L153 L154 H156 I160 | P127-V158 HydrophobicContact CB-CG1 3.55Å; P127-V158 HydrophobicContact CG-CG1 4.08Å; P127-V158 WeakPolarHBondContact O-CG1 3.44Å; N128-V158 WeakPolarHBondContact OD1-CA 3.43Å; L138-V158 HydrophobicContact CB-CG2 4.36Å; L138-V158 HydrophobicContact CD1-CG2 4.49Å; L138-V158 HydrophobicContact CD2-CG2 3.8Å; L138-V158 HydrophobicContact CG-CG2 4.44Å; L153-V158 HydrophobicContact CB-CG1 4.33Å; L153-V158 HydrophobicContact CB-CG2 4.14Å; L153-V158 WeakPolarHBondContact O-CG2 3.5Å; L154-V158 HydrophobicContact CD2-CG2 3.96Å; H156-V158 PolarHBondContact O-N 3.45Å; V158-I160 PolarHBondContact O-N 3.24Å | ||
| 159 | D | 96.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | trans | -64.8 | 118.1 | 168.6 | 178.4 | 11.3 | 0 | 0 | 0 | 110 | L138 N161 T162 | L138-D159 WeakPolarHBondContact CD2-O 3.39Å; D159-N161 PolarHBondContact O-N 3.37Å; D159-N161 PolarHBondContact OD1-N 3.46Å; D159-T162 HydrophobicContact CB-CG2 3.85Å; D159-T162 WeakPolarHBondContact O-CG2 3.43Å | ||
| 160 | I | 97.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.5 | -179.5 | -167 | 163.4 | 0 | 0 | 0 | 112.7 | L154 V158 P170 L186 K189 A191 | L154-I160 HydrophobicContact CD1-CD1 4.35Å; L154-I160 HydrophobicContact CD2-CB 3.95Å; L154-I160 HydrophobicContact CD2-CD1 3.8Å; L154-I160 HydrophobicContact CD2-CG1 3.8Å; V158-I160 PolarHBondContact O-N 3.24Å; I160-P170 WeakPolarHBondContact O-CG 3.31Å; I160-L186 HydrophobicContact CD1-CD2 4.16Å; I160-L186 VanDerWaalsContact CD1-O 3.27Å; I160-L186 WeakPolarHBondContact CD1-O 3.47Å; I160-L186 HydrophobicContact CG1-CD2 3.93Å; I160-K189 HydrophobicContact CD1-CB 3.58Å; I160-A191 HydrophobicContact CD1-CB 3.8Å; I160-A191 HydrophobicContact CG1-CB 3.91Å |
| 161 | N | 96.8 | Very high | 95.6 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 25.1 | -175.4 | -63.8 | -42.8 | 0 | 0 | 0 | 111.9 | D159 Y163 D192 I195 | D159-N161 PolarHBondContact O-N 3.37Å; D159-N161 PolarHBondContact OD1-N 3.46Å; N161-Y163 PolarHBondContact O-N 3.04Å; N161-D192 PolarHBondContact OD1-N 3.19Å; N161-I195 HydrophobicContact CB-CD1 3.82Å |
| 162 | T | 95.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 40 Ų | 40 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | trans | -50.6 | 134.1 | 174.8 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | S136 D159 T169 P170 | S136-T162 PolarHBondContact OG-OG1 3.01Å; D159-T162 HydrophobicContact CB-CG2 3.85Å; D159-T162 WeakPolarHBondContact O-CG2 3.43Å; T162-T169 WeakPolarHBondContact O-CA 3.47Å; T162-P170 VanDerWaalsContact O-CD 3.24Å; T162-P170 WeakPolarHBondContact O-CD 3.41Å; T162-P170 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 163 | Y | 95.1 | Very high | 95.7 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | trans | -117.3 | 119.5 | -179.7 | -161.1 | -89.8 | 0 | 0 | 0 | 110 | R134 N161 G167 G168 T169 I195 E196 D198 | R134-Y163 VanDerWaalsContact CZ-O 3.24Å; R134-Y163 PolarHBondContact NH1-O 3.37Å; N161-Y163 PolarHBondContact O-N 3.04Å; Y163-G167 WeakPolarHBondContact OH-CA 2.88Å; Y163-G168 WeakPolarHBondContact CA-O 3.17Å; Y163-T169 HydrophobicContact CD2-CG2 3.66Å; Y163-T169 HydrophobicContact CE2-CG2 4.25Å; Y163-I195 HydrophobicContact CD2-CG2 3.96Å; Y163-I195 HydrophobicContact CE2-CG2 3.89Å; Y163-E196 WeakPolarHBondContact CE2-O 3.14Å; Y163-E196 PolarHBondContact OH-O 3.35Å; Y163-D198 PolarHBondContact OH-N 3.29Å; Y163-D198 PolarHBondContact OH-OD1 2.94Å | ||
| 164 | D | 94.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | trans | -94.2 | 169.6 | 179.7 | 65.1 | 31.3 | 0 | 0 | 0 | 113.2 | E133 R134 N166 G167 G168 Y173 | E133-D164 WeakPolarHBondContact O-CB 3.13Å; R134-D164 HydrophobicContact CB-CB 4.27Å; D164-N166 PolarHBondContact O-N 3.42Å; D164-N166 WeakPolarHBondContact OD1-CA 3.43Å; D164-N166 WeakPolarHBondContact OD1-CB 3.07Å; D164-N166 PolarHBondContact OD1-N 2.85Å; D164-N166 VanDerWaalsContact OD1-N 3.08Å; D164-G167 PolarHBondContact O-N 3.4Å; D164-G167 VanDerWaalsContact O-N 3.11Å; D164-G167 PolarHBondContact OD1-N 3.29Å; D164-G168 PolarHBondContact N-O 3.09Å; D164-G168 PolarHBondContact OD1-N 2.88Å; D164-Y173 PolarHBondContact OD1-OH 3.39Å; D164-Y173 VanDerWaalsContact OD1-OH 3.09Å; D164-Y173 WeakPolarHBondContact OD2-CE2 3.33Å; D164-Y173 PolarHBondContact OD2-OH 3.37Å | ||
| 165 | W | 94.3 | Very high | 95.8 | Very high | 158 Ų | 158 | 40.4 Ų | 40.4 | 60% | 0.598 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4 | 179.1 | -70.6 | -20.6 | 0 | 0 | 0 | 113.9 | R132 E133 R134 | R132-W165 WeakPolarHBondContact O-CZ3 3.36Å; E133-W165 PolarHBondContact O-N 3.17Å; R134-W165 HydrophobicContact CG-CD2 4.15Å; R134-W165 HydrophobicContact CG-CG 4.33Å; R134-W165 HydrophobicContact CG-CZ2 4.26Å |
| 166 | N | 91.1 | Very high | 95.8 | Very high | 105 Ų | 105 | 41.9 Ų | 41.9 | 56% | 0.561 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.6 | 168.6 | -67.3 | 72.6 | 0 | 0 | 0 | 111.7 | D164 Y173 | D164-N166 PolarHBondContact O-N 3.42Å; D164-N166 WeakPolarHBondContact OD1-CA 3.43Å; D164-N166 WeakPolarHBondContact OD1-CB 3.07Å; D164-N166 PolarHBondContact OD1-N 2.85Å; D164-N166 VanDerWaalsContact OD1-N 3.08Å; N166-Y173 WeakPolarHBondContact CB-OH 3.29Å |
| 167 | G | 91.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 74.3 | 28.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y163 D164 S197 D198 | Y163-G167 WeakPolarHBondContact OH-CA 2.88Å; D164-G167 PolarHBondContact O-N 3.4Å; D164-G167 VanDerWaalsContact O-N 3.11Å; D164-G167 PolarHBondContact OD1-N 3.29Å; G167-S197 WeakPolarHBondContact O-CA 3.49Å; G167-S197 WeakPolarHBondContact O-CB 3.26Å; G167-D198 VanDerWaalsContact CA-CG 3.41Å; G167-D198 WeakPolarHBondContact CA-OD2 3.29Å; G167-D198 PolarHBondContact N-OD2 2.87Å |
| 168 | G | 94.1 | Very high | 96 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | trans | -118.6 | 147.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y163 D164 | Y163-G168 WeakPolarHBondContact CA-O 3.17Å; D164-G168 PolarHBondContact N-O 3.09Å; D164-G168 PolarHBondContact OD1-N 2.88Å | ||
| 169 | T | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -109.5 | 161.2 | 163.2 | 64 | 0 | 0 | 0 | 0 | 110.3 | T162 Y163 L171 L172 Y173 I195 | T162-T169 WeakPolarHBondContact O-CA 3.47Å; Y163-T169 HydrophobicContact CD2-CG2 3.66Å; Y163-T169 HydrophobicContact CE2-CG2 4.25Å; T169-L171 PolarHBondContact O-N 3.31Å; T169-L171 VanDerWaalsContact O-N 3.16Å; T169-L172 HydrophobicContact CG2-CD1 4.22Å; T169-L172 PolarHBondContact O-N 3.07Å; T169-L172 WeakPolarHBondContact OG1-CG 3.34Å; T169-L172 PolarHBondContact OG1-N 3.34Å; T169-Y173 WeakPolarHBondContact O-CD2 3.17Å; T169-Y173 PolarHBondContact O-N 2.92Å; T169-I195 HydrophobicContact CG2-CB 4.24Å; T169-I195 HydrophobicContact CG2-CD1 4.27Å; T169-I195 HydrophobicContact CG2-CG2 3.64Å | ||
| 170 | P | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -49.1 | -42 | 172.6 | -30.1 | 36.2 | 0 | 0 | 0 | 113 | L138 T139 S142 I160 T162 Y173 A174 L186 | L138-P170 HydrophobicContact CB-CG 4.38Å; L138-P170 HydrophobicContact CD2-CB 4.02Å; L138-P170 HydrophobicContact CD2-CG 3.6Å; L138-P170 HydrophobicContact CG-CB 3.91Å; L138-P170 HydrophobicContact CG-CG 3.73Å; T139-P170 HydrophobicContact CG2-CG 3.79Å; S142-P170 VanDerWaalsContact CB-O 3.24Å; S142-P170 WeakPolarHBondContact CB-O 3.37Å; I160-P170 WeakPolarHBondContact O-CG 3.31Å; T162-P170 VanDerWaalsContact O-CD 3.24Å; T162-P170 WeakPolarHBondContact O-CD 3.41Å; T162-P170 WeakPolarHBondContact OG1-CG 3.49Å; P170-Y173 PolarHBondContact O-N 3.44Å; P170-A174 WeakPolarHBondContact O-CB 3.44Å; P170-A174 PolarHBondContact O-N 3.33Å; P170-L186 HydrophobicContact CB-CD1 4.22Å; P170-L186 HydrophobicContact CB-CD2 4.09Å |
| 171 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177 | -176.8 | 60.6 | 0 | 0 | 0 | 112.1 | T169 Y173 A174 V175 V183 L186 L187 A191 M193 P203 | T169-L171 PolarHBondContact O-N 3.31Å; T169-L171 VanDerWaalsContact O-N 3.16Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 2.86Å; L171-A174 PolarHBondContact O-N 3.47Å; L171-V175 HydrophobicContact CD1-CG2 4.45Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.32Å; L171-V175 PolarHBondContact O-N 2.88Å; L171-V183 HydrophobicContact CD1-CB 4.4Å; L171-V183 HydrophobicContact CD1-CG1 3.96Å; L171-V183 HydrophobicContact CD1-CG2 4.24Å; L171-L186 HydrophobicContact CB-CD1 4.42Å; L171-L186 HydrophobicContact CD1-CB 4.37Å; L171-L186 HydrophobicContact CD1-CD1 4.43Å; L171-L187 HydrophobicContact CD1-CD2 4.29Å; L171-L187 HydrophobicContact CD1-CG 4.27Å; L171-L187 HydrophobicContact CD2-CD2 3.99Å; L171-A191 HydrophobicContact CB-CB 4.36Å; L171-A191 HydrophobicContact CD2-CB 4.12Å; L171-M193 HydrophobicContact CD2-CB 4.33Å; L171-P203 HydrophobicContact CD2-CB 4.08Å; L171-P203 HydrophobicContact CD2-CG 3.75Å; L171-P203 HydrophobicContact CG-CB 4.16Å; L171-P203 HydrophobicContact CG-CG 4Å |
| 172 | L | 97.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.9 | -74.9 | 165.1 | 0 | 0 | 0 | 112 | T169 V175 R176 P203 L206 | T169-L172 HydrophobicContact CG2-CD1 4.22Å; T169-L172 PolarHBondContact O-N 3.07Å; T169-L172 WeakPolarHBondContact OG1-CG 3.34Å; T169-L172 PolarHBondContact OG1-N 3.34Å; L172-V175 PolarHBondContact O-N 3.27Å; L172-R176 WeakPolarHBondContact O-CB 3.28Å; L172-R176 PolarHBondContact O-N 3.27Å; L172-P203 HydrophobicContact CD2-CG 3.94Å; L172-P203 HydrophobicContact CG-CG 4.26Å; L172-L206 HydrophobicContact CD2-CD2 4.02Å |
| 173 | Y | 97.6 | Very high | 96.3 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 175.7 | -75 | -65.1 | 0 | 0 | 0 | 112.8 | T139 D164 N166 T169 P170 L171 V175 R176 G177 | T139-Y173 HydrophobicContact CG2-CD2 4.27Å; T139-Y173 HydrophobicContact CG2-CE2 4.3Å; D164-Y173 PolarHBondContact OD1-OH 3.39Å; D164-Y173 VanDerWaalsContact OD1-OH 3.09Å; D164-Y173 WeakPolarHBondContact OD2-CE2 3.33Å; D164-Y173 PolarHBondContact OD2-OH 3.37Å; N166-Y173 WeakPolarHBondContact CB-OH 3.29Å; T169-Y173 WeakPolarHBondContact O-CD2 3.17Å; T169-Y173 PolarHBondContact O-N 2.92Å; P170-Y173 PolarHBondContact O-N 3.44Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 2.86Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.46Å; Y173-R176 PolarHBondContact O-N 3.15Å; Y173-G177 PolarHBondContact O-N 3.23Å |
| 174 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P170 L171 N178 H179 C182 V183 L186 | P170-A174 WeakPolarHBondContact O-CB 3.44Å; P170-A174 PolarHBondContact O-N 3.33Å; L171-A174 PolarHBondContact O-N 3.47Å; A174-N178 PolarHBondContact O-N 3.47Å; A174-H179 HydrophobicContact CB-CB 4.49Å; A174-H179 PolarHBondContact O-N 3.09Å; A174-C182 HydrophobicContact CB-CB 4.09Å; A174-V183 HydrophobicContact CB-CG2 3.66Å; A174-L186 HydrophobicContact CB-CD1 3.94Å |
| 175 | V | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | L171 L172 Y173 G177 N178 V183 P203 L206 A207 H212 L215 | L171-V175 HydrophobicContact CD1-CG2 4.45Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.32Å; L171-V175 PolarHBondContact O-N 2.88Å; L172-V175 PolarHBondContact O-N 3.27Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.46Å; V175-G177 VanDerWaalsContact C-N 3.27Å; V175-G177 PolarHBondContact O-N 2.91Å; V175-N178 PolarHBondContact O-N 3.23Å; V175-V183 HydrophobicContact CG2-CG2 3.89Å; V175-P203 HydrophobicContact CG2-CB 4.15Å; V175-L206 HydrophobicContact CB-CD2 4.39Å; V175-L206 HydrophobicContact CG1-CB 4.03Å; V175-L206 HydrophobicContact CG1-CD2 3.99Å; V175-L206 HydrophobicContact CG1-CG 3.97Å; V175-A207 HydrophobicContact CG1-CB 3.91Å; V175-H212 PolarHBondContact O-CE1 3.29Å; V175-H212 PolarHBondContact O-ND1 2.93Å; V175-L215 HydrophobicContact CB-CD2 4.4Å; V175-L215 HydrophobicContact CG1-CD2 4.11Å; V175-L215 HydrophobicContact CG2-CD1 4.44Å; V175-L215 HydrophobicContact CG2-CD2 3.79Å |
| 176 | R | 96.5 | Very high | 96.7 | Very high | 177 Ų | 177 | 37.3 Ų | 37.3 | 67% | 0.668 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -59.6 | -39.1 | 179.2 | -171.6 | 172.1 | 179 | 163.2 | -0.1 | 111.9 | L172 Y173 N178 L206 L210 | L172-R176 WeakPolarHBondContact O-CB 3.28Å; L172-R176 PolarHBondContact O-N 3.27Å; Y173-R176 PolarHBondContact O-N 3.15Å; R176-N178 VanDerWaalsContact C-N 3.28Å; R176-N178 PolarHBondContact O-N 2.86Å; R176-L206 HydrophobicContact CB-CD2 4.14Å; R176-L210 HydrophobicContact CG-CD1 4.39Å |
| 177 | G | 94.8 | Very high | 97 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 36% | 0.361 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y173 V175 H179 | Y173-G177 PolarHBondContact O-N 3.23Å; V175-G177 VanDerWaalsContact C-N 3.27Å; V175-G177 PolarHBondContact O-N 2.91Å; G177-H179 PolarHBondContact O-N 3.41Å |
| 178 | N | 97.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 32 | -172.8 | -162.6 | 27.5 | 0 | 0 | 0 | 113.6 | A174 V175 R176 I180 | A174-N178 PolarHBondContact O-N 3.47Å; V175-N178 PolarHBondContact O-N 3.23Å; R176-N178 VanDerWaalsContact C-N 3.28Å; R176-N178 PolarHBondContact O-N 2.86Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.5Å |
| 179 | H | 97.7 | Very high | 97.2 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | trans | -84.5 | 74.3 | -176 | -62.4 | -51 | 0 | 0 | 0 | 110.9 | S142 S143 G145 A174 G177 K181 C182 V183 | S142-H179 PolarHBondContact O-CD2 3.01Å; S143-H179 PolarHBondContact O-CD2 2.92Å; S143-H179 PolarHBondContact O-NE2 3.09Å; G145-H179 VanDerWaalsContact CA-CD2 3.43Å; G145-H179 WeakPolarHBondContact CA-CD2 3.32Å; G145-H179 PolarHBondContact N-CD2 2.91Å; G145-H179 PolarHBondContact N-NE2 3.27Å; A174-H179 HydrophobicContact CB-CB 4.49Å; A174-H179 PolarHBondContact O-N 3.09Å; G177-H179 PolarHBondContact O-N 3.41Å; H179-K181 VanDerWaalsContact C-N 3.34Å; H179-K181 PolarHBondContact O-N 3.37Å; H179-C182 HydrophobicContact CB-CB 3.69Å; H179-C182 WeakPolarHBondContact O-CA 3.29Å; H179-C182 VanDerWaalsContact O-CB 3.31Å; H179-C182 WeakPolarHBondContact O-CB 3.24Å; H179-C182 PolarHBondContact O-N 3.16Å; H179-V183 PolarHBondContact O-N 3.49Å | ||
| 180 | I | 97.4 | Very high | 97 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.8 | -49.8 | -172 | -62.9 | 171.3 | 0 | 0 | 0 | 112.5 | N178 C182 V183 E184 K214 L215 V218 | N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.5Å; I180-C182 VanDerWaalsContact C-N 3.28Å; I180-C182 PolarHBondContact O-N 3.44Å; I180-V183 WeakPolarHBondContact O-CB 3.34Å; I180-V183 PolarHBondContact O-N 3.24Å; I180-E184 WeakPolarHBondContact O-CG 3.4Å; I180-E184 PolarHBondContact O-N 3.39Å; I180-K214 HydrophobicContact CD1-CB 3.64Å; I180-K214 HydrophobicContact CD1-CD 4.21Å; I180-L215 HydrophobicContact CG1-CB 4.35Å; I180-V218 HydrophobicContact CG2-CG2 3.88Å |
| 181 | K | 97.6 | Very high | 97 | Very high | 153 Ų | 153 | 45.4 Ų | 45.4 | 67% | 0.665 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.6 | -33.1 | -179.5 | -66.6 | -174.5 | 177.4 | -176.4 | 0 | 112.9 | V147 H179 E184 A185 | V147-K181 HydrophobicContact CG2-CB 3.69Å; H179-K181 VanDerWaalsContact C-N 3.34Å; H179-K181 PolarHBondContact O-N 3.37Å; K181-E184 PolarHBondContact O-N 3.36Å; K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 2.99Å |
| 182 | C | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 176.2 | -173 | 0 | 0 | 0 | 0 | 110.5 | V147 A174 H179 I180 A185 L186 | V147-C182 HydrophobicContact CG2-CB 4.15Å; A174-C182 HydrophobicContact CB-CB 4.09Å; H179-C182 HydrophobicContact CB-CB 3.69Å; H179-C182 WeakPolarHBondContact O-CA 3.29Å; H179-C182 VanDerWaalsContact O-CB 3.31Å; H179-C182 WeakPolarHBondContact O-CB 3.24Å; H179-C182 PolarHBondContact O-N 3.16Å; I180-C182 VanDerWaalsContact C-N 3.28Å; I180-C182 PolarHBondContact O-N 3.44Å; C182-A185 PolarHBondContact O-N 3.12Å; C182-L186 WeakPolarHBondContact O-CB 2.99Å; C182-L186 WeakPolarHBondContact O-CG 3.18Å; C182-L186 PolarHBondContact O-N 3.1Å |
| 183 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 172.6 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L171 A174 V175 H179 I180 A185 L186 L187 L215 V218 L219 | L171-V183 HydrophobicContact CD1-CB 4.4Å; L171-V183 HydrophobicContact CD1-CG1 3.96Å; L171-V183 HydrophobicContact CD1-CG2 4.24Å; A174-V183 HydrophobicContact CB-CG2 3.66Å; V175-V183 HydrophobicContact CG2-CG2 3.89Å; H179-V183 PolarHBondContact O-N 3.49Å; I180-V183 WeakPolarHBondContact O-CB 3.34Å; I180-V183 PolarHBondContact O-N 3.24Å; V183-A185 VanDerWaalsContact C-N 3.34Å; V183-A185 PolarHBondContact O-N 2.81Å; V183-L186 PolarHBondContact O-N 2.95Å; V183-L187 HydrophobicContact CG1-CD1 3.62Å; V183-L187 HydrophobicContact CG1-CG 4.24Å; V183-L187 WeakPolarHBondContact O-CB 3.42Å; V183-L187 VanDerWaalsContact O-CG 3.23Å; V183-L187 WeakPolarHBondContact O-CG 3.31Å; V183-L187 PolarHBondContact O-N 3.13Å; V183-L215 HydrophobicContact CG2-CD1 4Å; V183-L215 HydrophobicContact CG2-CG 4.41Å; V183-V218 HydrophobicContact CG1-CG1 4.34Å; V183-L219 HydrophobicContact CG1-CD2 3.87Å |
| 184 | E | 97.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 176.3 | -71.2 | 174.6 | 157.3 | 0 | 0 | 112 | I180 K181 L187 A188 V218 | I180-E184 WeakPolarHBondContact O-CG 3.4Å; I180-E184 PolarHBondContact O-N 3.39Å; K181-E184 PolarHBondContact O-N 3.36Å; E184-L187 PolarHBondContact O-N 2.79Å; E184-A188 VanDerWaalsContact O-CB 3.24Å; E184-A188 WeakPolarHBondContact O-CB 3.46Å; E184-A188 PolarHBondContact O-N 3.34Å; E184-V218 HydrophobicContact CG-CG1 3.58Å; E184-V218 HydrophobicContact CG-CG2 4.5Å |
| 185 | A | 97.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V147 E151 K181 C182 V183 A188 K189 | V147-A185 HydrophobicContact CG1-CB 3.97Å; E151-A185 HydrophobicContact CG-CB 4.43Å; K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 2.99Å; C182-A185 PolarHBondContact O-N 3.12Å; V183-A185 VanDerWaalsContact C-N 3.34Å; V183-A185 PolarHBondContact O-N 2.81Å; A185-A188 PolarHBondContact O-N 2.91Å; A185-K189 WeakPolarHBondContact O-CG 3.34Å; A185-K189 PolarHBondContact O-N 3.02Å |
| 186 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 177 | -72.4 | 167.9 | 0 | 0 | 0 | 111.4 | L138 V150 L154 I160 P170 L171 A174 C182 V183 A188 K189 G190 A191 | L138-L186 HydrophobicContact CD1-CD2 4.46Å; V150-L186 HydrophobicContact CG1-CD2 3.91Å; V150-L186 HydrophobicContact CG1-CG 4.17Å; L154-L186 HydrophobicContact CD1-CD2 4.2Å; I160-L186 HydrophobicContact CD1-CD2 4.16Å; I160-L186 VanDerWaalsContact CD1-O 3.27Å; I160-L186 WeakPolarHBondContact CD1-O 3.47Å; I160-L186 HydrophobicContact CG1-CD2 3.93Å; P170-L186 HydrophobicContact CB-CD1 4.22Å; P170-L186 HydrophobicContact CB-CD2 4.09Å; L171-L186 HydrophobicContact CB-CD1 4.42Å; L171-L186 HydrophobicContact CD1-CB 4.37Å; L171-L186 HydrophobicContact CD1-CD1 4.43Å; A174-L186 HydrophobicContact CB-CD1 3.94Å; C182-L186 WeakPolarHBondContact O-CB 2.99Å; C182-L186 WeakPolarHBondContact O-CG 3.18Å; C182-L186 PolarHBondContact O-N 3.1Å; V183-L186 PolarHBondContact O-N 2.95Å; L186-A188 PolarHBondContact O-N 3.36Å; L186-K189 CarbonylContact O-C 3.57Å; L186-K189 PolarHBondContact O-N 3.01Å; L186-K189 VanDerWaalsContact O-N 3.09Å; L186-G190 PolarHBondContact O-N 2.72Å; L186-A191 HydrophobicContact CB-CB 3.93Å; L186-A191 WeakPolarHBondContact O-CB 3.44Å; L186-A191 PolarHBondContact O-N 3.16Å |
| 187 | L | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 178.6 | -69.4 | 172.6 | 0 | 0 | 0 | 112.4 | L171 V183 E184 K189 G190 M193 L219 H222 | L171-L187 HydrophobicContact CD1-CD2 4.29Å; L171-L187 HydrophobicContact CD1-CG 4.27Å; L171-L187 HydrophobicContact CD2-CD2 3.99Å; V183-L187 HydrophobicContact CG1-CD1 3.62Å; V183-L187 HydrophobicContact CG1-CG 4.24Å; V183-L187 WeakPolarHBondContact O-CB 3.42Å; V183-L187 VanDerWaalsContact O-CG 3.23Å; V183-L187 WeakPolarHBondContact O-CG 3.31Å; V183-L187 PolarHBondContact O-N 3.13Å; E184-L187 PolarHBondContact O-N 2.79Å; L187-K189 PolarHBondContact O-N 2.84Å; L187-G190 PolarHBondContact O-N 2.89Å; L187-M193 HydrophobicContact CD2-CE 3.83Å; L187-L219 HydrophobicContact CD1-CD2 3.79Å; L187-H222 HydrophobicContact CD1-CB 4.07Å; L187-H222 PolarHBondContact O-CE1 3.34Å; L187-H222 VanDerWaalsContact O-CE1 3.3Å |
| 188 | A | 94.9 | Very high | 96.1 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 69% | 0.686 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -22.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E184 A185 L186 | E184-A188 VanDerWaalsContact O-CB 3.24Å; E184-A188 WeakPolarHBondContact O-CB 3.46Å; E184-A188 PolarHBondContact O-N 3.34Å; A185-A188 PolarHBondContact O-N 2.91Å; L186-A188 PolarHBondContact O-N 3.36Å |
| 189 | K | 95.6 | Very high | 95.9 | Very high | 136 Ų | 136 | 57.1 Ų | 57.1 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 6.9 | 175.2 | -65.5 | -63.5 | -174.4 | -178.7 | 0 | 113.8 | L154 I160 A185 L186 L187 | L154-K189 HydrophobicContact CD1-CB 4.11Å; L154-K189 HydrophobicContact CD1-CG 3.87Å; I160-K189 HydrophobicContact CD1-CB 3.58Å; A185-K189 WeakPolarHBondContact O-CG 3.34Å; A185-K189 PolarHBondContact O-N 3.02Å; L186-K189 CarbonylContact O-C 3.57Å; L186-K189 PolarHBondContact O-N 3.01Å; L186-K189 VanDerWaalsContact O-N 3.09Å; L187-K189 PolarHBondContact O-N 2.84Å |
| 190 | G | 94.2 | Very high | 95.7 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 29.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L186 L187 D192 | L186-G190 PolarHBondContact O-N 2.72Å; L187-G190 PolarHBondContact O-N 2.89Å; G190-D192 PolarHBondContact O-N 2.98Å |
| 191 | A | 96.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | trans | -57.6 | 135.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | I160 L171 L186 M193 | I160-A191 HydrophobicContact CD1-CB 3.8Å; I160-A191 HydrophobicContact CG1-CB 3.91Å; L171-A191 HydrophobicContact CB-CB 4.36Å; L171-A191 HydrophobicContact CD2-CB 4.12Å; L186-A191 HydrophobicContact CB-CB 3.93Å; L186-A191 WeakPolarHBondContact O-CB 3.44Å; L186-A191 PolarHBondContact O-N 3.16Å; A191-M193 PolarHBondContact O-N 2.86Å | ||
| 192 | D | 95.2 | Very high | 95.5 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | trans | -78.7 | 119.7 | -178.1 | -170.7 | -11.9 | 0 | 0 | 0 | 110.5 | N161 G190 T194 I195 | N161-D192 PolarHBondContact OD1-N 3.19Å; G190-D192 PolarHBondContact O-N 2.98Å; D192-T194 VanDerWaalsContact CG-OG1 3.29Å; D192-T194 WeakPolarHBondContact OD1-CA 3.13Å; D192-T194 VanDerWaalsContact OD1-CB 3.32Å; D192-T194 WeakPolarHBondContact OD1-CB 3.25Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.27Å; D192-T194 PolarHBondContact OD1-N 3.38Å; D192-T194 PolarHBondContact OD1-OG1 2.91Å; D192-T194 PolarHBondContact OD2-OG1 2.83Å; D192-I195 HydrophobicContact CB-CD1 3.8Å; D192-I195 HydrophobicContact CB-CG1 3.97Å | ||
| 193 | M | 94.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 17% | 0.172 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -89.5 | -0.4 | 179.1 | 60.9 | 172 | 47 | 0 | 0 | 114.2 | L171 L187 A191 P203 H222 I223 L226 | L171-M193 HydrophobicContact CD2-CB 4.33Å; L187-M193 HydrophobicContact CD2-CE 3.83Å; A191-M193 PolarHBondContact O-N 2.86Å; M193-P203 WeakPolarHBondContact O-CD 3.32Å; M193-H222 HydrophobicContact CE-CB 4.35Å; M193-H222 VanDerWaalsContact CE-CD2 3.41Å; M193-H222 WeakPolarHBondContact CE-CD2 3.44Å; M193-I223 HydrophobicContact CE-CG1 3.8Å; M193-I223 HydrophobicContact SD-CD1 3.97Å; M193-I223 HydrophobicContact SD-CG1 3.31Å; M193-I223 WeakPolarHBondContact SD-CG1 3.37Å; M193-L226 HydrophobicContact SD-CD1 4.34Å |
| 194 | T | 93.9 | Very high | 95.4 | Very high | 101 Ų | 101 | 56.4 Ų | 56.4 | 62% | 0.62 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -93.4 | -16.6 | 179.2 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | D192 E196 | D192-T194 VanDerWaalsContact CG-OG1 3.29Å; D192-T194 WeakPolarHBondContact OD1-CA 3.13Å; D192-T194 VanDerWaalsContact OD1-CB 3.32Å; D192-T194 WeakPolarHBondContact OD1-CB 3.25Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.27Å; D192-T194 PolarHBondContact OD1-N 3.38Å; D192-T194 PolarHBondContact OD1-OG1 2.91Å; D192-T194 PolarHBondContact OD2-OG1 2.83Å; T194-E196 PolarHBondContact O-N 2.96Å |
| 195 | I | 95.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 123.8 | 179.4 | -59.2 | 174.4 | 0 | 0 | 0 | 109.9 | N161 Y163 T169 D192 P203 | N161-I195 HydrophobicContact CB-CD1 3.82Å; Y163-I195 HydrophobicContact CD2-CG2 3.96Å; Y163-I195 HydrophobicContact CE2-CG2 3.89Å; T169-I195 HydrophobicContact CG2-CB 4.24Å; T169-I195 HydrophobicContact CG2-CD1 4.27Å; T169-I195 HydrophobicContact CG2-CG2 3.64Å; D192-I195 HydrophobicContact CB-CD1 3.8Å; D192-I195 HydrophobicContact CB-CG1 3.97Å; I195-P203 VanDerWaalsContact O-CD 3.31Å; I195-P203 WeakPolarHBondContact O-CD 3.47Å |
| 196 | E | 95.8 | Very high | 95.3 | Very high | 110 Ų | 110 | 54.2 Ų | 54.2 | 51% | 0.514 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 146 | 177 | -61.1 | -176.3 | 167.3 | 0 | 0 | 111.2 | Y163 T194 | Y163-E196 WeakPolarHBondContact CE2-O 3.14Å; Y163-E196 PolarHBondContact OH-O 3.35Å; T194-E196 PolarHBondContact O-N 2.96Å |
| 197 | S | 95.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 163.4 | 165.1 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | G167 S199 G200 Y201 | G167-S197 WeakPolarHBondContact O-CA 3.49Å; G167-S197 WeakPolarHBondContact O-CB 3.26Å; S197-S199 PolarHBondContact O-N 3.5Å; S197-G200 WeakPolarHBondContact O-CA 3.26Å; S197-G200 PolarHBondContact O-N 3.41Å; S197-Y201 PolarHBondContact N-O 3.08Å; S197-Y201 WeakPolarHBondContact OG-CB 3.26Å; S197-Y201 PolarHBondContact OG-N 2.96Å; S197-Y201 PolarHBondContact OG-O 3.4Å; S197-Y201 VanDerWaalsContact OG-O 3.07Å |
| 198 | D | 93.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 58 Ų | 58 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -20.7 | 173.4 | -75.4 | -22.2 | 0 | 0 | 0 | 113.2 | Y163 G167 G200 | Y163-D198 PolarHBondContact OH-N 3.29Å; Y163-D198 PolarHBondContact OH-OD1 2.94Å; G167-D198 VanDerWaalsContact CA-CG 3.41Å; G167-D198 WeakPolarHBondContact CA-OD2 3.29Å; G167-D198 PolarHBondContact N-OD2 2.87Å; D198-G200 VanDerWaalsContact C-N 3.29Å |
| 199 | S | 91.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 57 Ų | 57 | 67% | 0.671 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.2 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 114 | S197 Y201 | S197-S199 PolarHBondContact O-N 3.5Å; S199-Y201 VanDerWaalsContact C-N 3.32Å; S199-Y201 WeakPolarHBondContact O-CD2 3.49Å; S199-Y201 PolarHBondContact O-N 2.95Å |
| 200 | G | 94 | Very high | 95.3 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 75.3 | 14.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | S197 D198 | S197-G200 WeakPolarHBondContact O-CA 3.26Å; S197-G200 PolarHBondContact O-N 3.41Å; D198-G200 VanDerWaalsContact C-N 3.29Å |
| 201 | Y | 95.1 | Very high | 95.4 | Very high | 108 Ų | 108 | 54 Ų | 54 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | trans | -94.5 | 118.7 | 175.8 | -68.2 | -86.5 | 0 | 0 | 0 | 110.8 | S197 S199 A205 A209 | S197-Y201 PolarHBondContact N-O 3.08Å; S197-Y201 WeakPolarHBondContact OG-CB 3.26Å; S197-Y201 PolarHBondContact OG-N 2.96Å; S197-Y201 PolarHBondContact OG-O 3.4Å; S197-Y201 VanDerWaalsContact OG-O 3.07Å; S199-Y201 VanDerWaalsContact C-N 3.32Å; S199-Y201 WeakPolarHBondContact O-CD2 3.49Å; S199-Y201 PolarHBondContact O-N 2.95Å; Y201-A205 HydrophobicContact CD1-CB 3.96Å; Y201-A209 HydrophobicContact CD1-CB 4.34Å; Y201-A209 HydrophobicContact CE1-CB 3.84Å | ||
| 202 | S | 96.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | trans | -68.4 | 163.1 | 160 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | M204 A205 L206 | S202-M204 VanDerWaalsContact C-N 3.25Å; S202-M204 PolarHBondContact O-N 3.11Å; S202-A205 PolarHBondContact O-N 3.22Å; S202-A205 VanDerWaalsContact O-N 3.1Å; S202-A205 WeakPolarHBondContact OG-CB 3.47Å; S202-A205 PolarHBondContact OG-N 3.02Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.1Å | ||
| 203 | P | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -51 | -41.8 | 174 | -32 | 37.3 | 0 | 0 | 0 | 113.6 | L171 L172 V175 M193 I195 A207 | L171-P203 HydrophobicContact CD2-CB 4.08Å; L171-P203 HydrophobicContact CD2-CG 3.75Å; L171-P203 HydrophobicContact CG-CB 4.16Å; L171-P203 HydrophobicContact CG-CG 4Å; L172-P203 HydrophobicContact CD2-CG 3.94Å; L172-P203 HydrophobicContact CG-CG 4.26Å; V175-P203 HydrophobicContact CG2-CB 4.15Å; M193-P203 WeakPolarHBondContact O-CD 3.32Å; I195-P203 VanDerWaalsContact O-CD 3.31Å; I195-P203 WeakPolarHBondContact O-CD 3.47Å; P203-A207 WeakPolarHBondContact O-CB 3.36Å; P203-A207 PolarHBondContact O-N 2.71Å |
| 204 | M | 96.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 23% | 0.232 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.2 | -47.9 | 176.3 | -176 | 64.7 | 82.8 | 0 | 0 | 111.5 | S202 L206 A207 V208 L219 E220 I223 | S202-M204 VanDerWaalsContact C-N 3.25Å; S202-M204 PolarHBondContact O-N 3.11Å; M204-L206 VanDerWaalsContact C-N 3.27Å; M204-L206 PolarHBondContact O-N 3.08Å; M204-A207 PolarHBondContact O-N 3.44Å; M204-V208 WeakPolarHBondContact O-CG2 3.32Å; M204-V208 PolarHBondContact O-N 3.03Å; M204-L219 HydrophobicContact CB-CD1 4.33Å; M204-L219 HydrophobicContact CE-CB 3.41Å; M204-L219 VanDerWaalsContact CE-CB 3.41Å; M204-L219 HydrophobicContact CE-CD1 4.38Å; M204-L219 HydrophobicContact SD-CB 4.04Å; M204-L219 HydrophobicContact SD-CD1 4.02Å; M204-E220 HydrophobicContact CE-CG 3.88Å; M204-I223 HydrophobicContact CE-CD1 3.54Å |
| 205 | A | 96.6 | Very high | 95.7 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y201 S202 V208 A209 | Y201-A205 HydrophobicContact CD1-CB 3.96Å; S202-A205 PolarHBondContact O-N 3.22Å; S202-A205 VanDerWaalsContact O-N 3.1Å; S202-A205 WeakPolarHBondContact OG-CB 3.47Å; S202-A205 PolarHBondContact OG-N 3.02Å; A205-V208 PolarHBondContact O-N 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.15Å; A205-A209 PolarHBondContact O-N 2.84Å |
| 206 | L | 96.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 61 Ų | 61 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 176.1 | -172.6 | 60.9 | 0 | 0 | 0 | 111.7 | L172 V175 R176 S202 M204 V208 A209 L210 | L172-L206 HydrophobicContact CD2-CD2 4.02Å; V175-L206 HydrophobicContact CB-CD2 4.39Å; V175-L206 HydrophobicContact CG1-CB 4.03Å; V175-L206 HydrophobicContact CG1-CD2 3.99Å; V175-L206 HydrophobicContact CG1-CG 3.97Å; R176-L206 HydrophobicContact CB-CD2 4.14Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.1Å; M204-L206 VanDerWaalsContact C-N 3.27Å; M204-L206 PolarHBondContact O-N 3.08Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.17Å; L206-A209 PolarHBondContact O-N 3.25Å; L206-L210 HydrophobicContact CD1-CD1 3.88Å; L206-L210 HydrophobicContact CD1-CG 4.16Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.17Å |
| 207 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V175 P203 M204 G211 H212 L215 Q216 L219 | V175-A207 HydrophobicContact CG1-CB 3.91Å; P203-A207 WeakPolarHBondContact O-CB 3.36Å; P203-A207 PolarHBondContact O-N 2.71Å; M204-A207 PolarHBondContact O-N 3.44Å; A207-G211 PolarHBondContact O-N 3.37Å; A207-H212 PolarHBondContact O-N 3.49Å; A207-L215 HydrophobicContact CB-CD2 3.64Å; A207-Q216 HydrophobicContact CB-CG 3.87Å; A207-Q216 PolarHBondContact O-NE2 3.45Å; A207-L219 HydrophobicContact CB-CD1 3.92Å |
| 208 | V | 96.9 | Very high | 95.8 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.2 | -51.1 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | M204 A205 L206 L210 G211 Q216 | M204-V208 WeakPolarHBondContact O-CG2 3.32Å; M204-V208 PolarHBondContact O-N 3.03Å; A205-V208 PolarHBondContact O-N 3.26Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.17Å; V208-L210 VanDerWaalsContact C-N 3.27Å; V208-L210 PolarHBondContact O-N 3.27Å; V208-G211 PolarHBondContact O-N 3.28Å; V208-Q216 HydrophobicContact CG2-CG 4.1Å |
| 209 | A | 96.4 | Very high | 95.8 | Very high | 62 Ų | 62 | 57 Ų | 57 | 51% | 0.512 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y201 A205 L206 G211 | Y201-A209 HydrophobicContact CD1-CB 4.34Å; Y201-A209 HydrophobicContact CE1-CB 3.84Å; A205-A209 WeakPolarHBondContact O-CB 3.15Å; A205-A209 PolarHBondContact O-N 2.84Å; L206-A209 PolarHBondContact O-N 3.25Å; A209-G211 VanDerWaalsContact C-N 3.34Å |
| 210 | L | 95.5 | Very high | 96 | Very high | 81 Ų | 81 | 56.9 Ų | 56.9 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -5 | 177.3 | -61.7 | 175.8 | 0 | 0 | 0 | 113.7 | R176 L206 V208 H212 | R176-L210 HydrophobicContact CG-CD1 4.39Å; L206-L210 HydrophobicContact CD1-CD1 3.88Å; L206-L210 HydrophobicContact CD1-CG 4.16Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.17Å; V208-L210 VanDerWaalsContact C-N 3.27Å; V208-L210 PolarHBondContact O-N 3.27Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-CD2 3.38Å; L210-H212 PolarHBondContact O-N 3.06Å |
| 211 | G | 96.3 | Very high | 96 | Very high | 44 Ų | 44 | 59 Ų | 59 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 21.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A207 V208 A209 K213 | A207-G211 PolarHBondContact O-N 3.37Å; V208-G211 PolarHBondContact O-N 3.28Å; A209-G211 VanDerWaalsContact C-N 3.34Å; G211-K213 PolarHBondContact O-N 3.2Å |
| 212 | H | 96.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | trans | -75.1 | 67 | -179.3 | -63.9 | 173.9 | 0 | 0 | 0 | 112.1 | V175 A207 L210 K214 L215 Q216 | V175-H212 PolarHBondContact O-CE1 3.29Å; V175-H212 PolarHBondContact O-ND1 2.93Å; A207-H212 PolarHBondContact O-N 3.49Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-CD2 3.38Å; L210-H212 PolarHBondContact O-N 3.06Å; H212-K214 VanDerWaalsContact C-N 3.31Å; H212-K214 PolarHBondContact O-N 3.07Å; H212-L215 HydrophobicContact CB-CB 3.84Å; H212-L215 WeakPolarHBondContact O-CA 3.35Å; H212-L215 WeakPolarHBondContact O-CB 3.46Å; H212-L215 PolarHBondContact O-N 3.25Å; H212-Q216 WeakPolarHBondContact O-CG 3.49Å; H212-Q216 PolarHBondContact O-N 2.91Å | ||
| 213 | K | 95.6 | Very high | 95.6 | Very high | 159 Ų | 159 | 56.6 Ų | 56.6 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -54.6 | -38.7 | -172.2 | -64.4 | -176.2 | -179.1 | -178.6 | 0 | 114.8 | G211 L215 K217 | G211-K213 PolarHBondContact O-N 3.2Å; K213-L215 VanDerWaalsContact C-N 3.35Å; K213-K217 PolarHBondContact O-N 3.48Å |
| 214 | K | 96.1 | Very high | 95.4 | Very high | 159 Ų | 159 | 61.3 Ų | 61.3 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.8 | -39.6 | 177.9 | -68.9 | -176.8 | -179.4 | 178.1 | 0 | 111.2 | I180 H212 K217 V218 | I180-K214 HydrophobicContact CD1-CB 3.64Å; I180-K214 HydrophobicContact CD1-CD 4.21Å; H212-K214 VanDerWaalsContact C-N 3.31Å; H212-K214 PolarHBondContact O-N 3.07Å; K214-K217 PolarHBondContact O-N 3.04Å; K214-V218 PolarHBondContact O-N 2.99Å |
| 215 | L | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 178.4 | -163.3 | 152.3 | 0 | 0 | 0 | 111 | V175 I180 V183 A207 H212 K213 K217 V218 L219 | V175-L215 HydrophobicContact CB-CD2 4.4Å; V175-L215 HydrophobicContact CG1-CD2 4.11Å; V175-L215 HydrophobicContact CG2-CD1 4.44Å; V175-L215 HydrophobicContact CG2-CD2 3.79Å; I180-L215 HydrophobicContact CG1-CB 4.35Å; V183-L215 HydrophobicContact CG2-CD1 4Å; V183-L215 HydrophobicContact CG2-CG 4.41Å; A207-L215 HydrophobicContact CB-CD2 3.64Å; H212-L215 HydrophobicContact CB-CB 3.84Å; H212-L215 WeakPolarHBondContact O-CA 3.35Å; H212-L215 WeakPolarHBondContact O-CB 3.46Å; H212-L215 PolarHBondContact O-N 3.25Å; K213-L215 VanDerWaalsContact C-N 3.35Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.48Å; L215-V218 WeakPolarHBondContact O-CB 3.45Å; L215-V218 PolarHBondContact O-N 3.19Å; L215-L219 HydrophobicContact CD2-CD1 3.59Å; L215-L219 HydrophobicContact CD2-CD2 4.43Å; L215-L219 HydrophobicContact CD2-CG 3.79Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.97Å |
| 216 | Q | 96.2 | Very high | 94.6 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -53.3 | -47.2 | 173.5 | -68.9 | 165.5 | 27.7 | 0 | 0 | 111.3 | A207 V208 H212 V218 L219 E220 | A207-Q216 HydrophobicContact CB-CG 3.87Å; A207-Q216 PolarHBondContact O-NE2 3.45Å; V208-Q216 HydrophobicContact CG2-CG 4.1Å; H212-Q216 WeakPolarHBondContact O-CG 3.49Å; H212-Q216 PolarHBondContact O-N 2.91Å; Q216-V218 VanDerWaalsContact C-N 3.32Å; Q216-V218 PolarHBondContact O-N 3.08Å; Q216-L219 WeakPolarHBondContact O-CB 3.45Å; Q216-L219 PolarHBondContact O-N 2.96Å; Q216-L219 VanDerWaalsContact O-N 3.13Å; Q216-E220 VanDerWaalsContact O-CG 3.32Å; Q216-E220 WeakPolarHBondContact O-CG 3.1Å; Q216-E220 PolarHBondContact O-N 3.25Å |
| 217 | K | 96.1 | Very high | 93.9 | Very high | 133 Ų | 133 | 77.4 Ų | 77.4 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.2 | -41.8 | 175.8 | -70.3 | -176.8 | 177.4 | -168.7 | 0 | 113 | K213 K214 L215 L219 E220 D221 | K213-K217 PolarHBondContact O-N 3.48Å; K214-K217 PolarHBondContact O-N 3.04Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.48Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 2.94Å; K217-E220 PolarHBondContact O-N 2.95Å; K217-D221 WeakPolarHBondContact O-CB 3.34Å; K217-D221 PolarHBondContact O-N 3.16Å |
| 218 | V | 96.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 84.8 Ų | 84.8 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | I180 V183 E184 K214 L215 Q216 H222 | I180-V218 HydrophobicContact CG2-CG2 3.88Å; V183-V218 HydrophobicContact CG1-CG1 4.34Å; E184-V218 HydrophobicContact CG-CG1 3.58Å; E184-V218 HydrophobicContact CG-CG2 4.5Å; K214-V218 PolarHBondContact O-N 2.99Å; L215-V218 WeakPolarHBondContact O-CB 3.45Å; L215-V218 PolarHBondContact O-N 3.19Å; Q216-V218 VanDerWaalsContact C-N 3.32Å; Q216-V218 PolarHBondContact O-N 3.08Å; V218-H222 WeakPolarHBondContact O-CB 3.43Å; V218-H222 PolarHBondContact O-N 3.43Å |
| 219 | L | 94.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 86.5 Ų | 86.5 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 175.7 | -64.2 | 179.7 | 0 | 0 | 0 | 111.5 | V183 L187 M204 A207 L215 Q216 K217 H222 I223 | V183-L219 HydrophobicContact CG1-CD2 3.87Å; L187-L219 HydrophobicContact CD1-CD2 3.79Å; M204-L219 HydrophobicContact CB-CD1 4.33Å; M204-L219 HydrophobicContact CE-CB 3.41Å; M204-L219 VanDerWaalsContact CE-CB 3.41Å; M204-L219 HydrophobicContact CE-CD1 4.38Å; M204-L219 HydrophobicContact SD-CB 4.04Å; M204-L219 HydrophobicContact SD-CD1 4.02Å; A207-L219 HydrophobicContact CB-CD1 3.92Å; L215-L219 HydrophobicContact CD2-CD1 3.59Å; L215-L219 HydrophobicContact CD2-CD2 4.43Å; L215-L219 HydrophobicContact CD2-CG 3.79Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.97Å; Q216-L219 WeakPolarHBondContact O-CB 3.45Å; Q216-L219 PolarHBondContact O-N 2.96Å; Q216-L219 VanDerWaalsContact O-N 3.13Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 2.94Å; L219-H222 PolarHBondContact O-N 3.26Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.48Å; L219-I223 PolarHBondContact O-N 3.14Å |
| 220 | E | 94.7 | Very high | 89.6 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 176.3 | -72.9 | 168.8 | -175 | 0 | 0 | 111.5 | M204 Q216 K217 H222 I223 L224 | M204-E220 HydrophobicContact CE-CG 3.88Å; Q216-E220 VanDerWaalsContact O-CG 3.32Å; Q216-E220 WeakPolarHBondContact O-CG 3.1Å; Q216-E220 PolarHBondContact O-N 3.25Å; K217-E220 PolarHBondContact O-N 2.95Å; E220-H222 VanDerWaalsContact C-N 3.27Å; E220-H222 PolarHBondContact O-N 3.12Å; E220-I223 PolarHBondContact O-N 3.32Å; E220-L224 WeakPolarHBondContact O-CB 3.46Å; E220-L224 VanDerWaalsContact O-CG 3.31Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 3.2Å |
| 221 | D | 94.1 | Very high | 89.3 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 178.5 | -74 | -20.9 | 0 | 0 | 0 | 111.4 | K217 K225 | K217-D221 WeakPolarHBondContact O-CB 3.34Å; K217-D221 PolarHBondContact O-N 3.16Å; D221-K225 VanDerWaalsContact O-CG 3.28Å; D221-K225 WeakPolarHBondContact O-CG 3.34Å; D221-K225 PolarHBondContact O-N 3.22Å |
| 222 | H | 93.1 | Very high | 88.9 | Confident | 38 Ų | 38 | 96.8 Ų | 96.8 | 18% | 0.176 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 174.9 | -169.4 | 88.2 | 0 | 0 | 0 | 111.8 | L187 M193 V218 L219 E220 L224 K225 L226 | L187-H222 HydrophobicContact CD1-CB 4.07Å; L187-H222 PolarHBondContact O-CE1 3.34Å; L187-H222 VanDerWaalsContact O-CE1 3.3Å; M193-H222 HydrophobicContact CE-CB 4.35Å; M193-H222 VanDerWaalsContact CE-CD2 3.41Å; M193-H222 WeakPolarHBondContact CE-CD2 3.44Å; V218-H222 WeakPolarHBondContact O-CB 3.43Å; V218-H222 PolarHBondContact O-N 3.43Å; L219-H222 PolarHBondContact O-N 3.26Å; E220-H222 VanDerWaalsContact C-N 3.27Å; E220-H222 PolarHBondContact O-N 3.12Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 2.75Å; H222-K225 WeakPolarHBondContact O-CB 3.38Å; H222-K225 PolarHBondContact O-N 3.15Å; H222-K225 VanDerWaalsContact O-N 3.15Å; H222-L226 PolarHBondContact O-N 2.97Å |
| 223 | I | 90.9 | Very high | 88.5 | Confident | 48 Ų | 48 | 100.3 Ų | 100.3 | 25% | 0.246 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 175.5 | -69.8 | 163.2 | 0 | 0 | 0 | 110.5 | M193 M204 L219 E220 K225 L226 Y227 | M193-I223 HydrophobicContact CE-CG1 3.8Å; M193-I223 HydrophobicContact SD-CD1 3.97Å; M193-I223 HydrophobicContact SD-CG1 3.31Å; M193-I223 WeakPolarHBondContact SD-CG1 3.37Å; M204-I223 HydrophobicContact CE-CD1 3.54Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.48Å; L219-I223 PolarHBondContact O-N 3.14Å; E220-I223 PolarHBondContact O-N 3.32Å; I223-K225 PolarHBondContact O-N 3.42Å; I223-L226 WeakPolarHBondContact O-CB 3.3Å; I223-L226 PolarHBondContact O-N 2.84Å; I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-Y227 HydrophobicContact CG2-CE2 3.8Å; I223-Y227 WeakPolarHBondContact O-CD2 3.45Å; I223-Y227 PolarHBondContact O-N 3.26Å |
| 224 | L | 91.1 | Very high | 88.1 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 180 | -72.6 | 172.7 | 0 | 0 | 0 | 112.7 | E220 H222 Y227 K228 | E220-L224 WeakPolarHBondContact O-CB 3.46Å; E220-L224 VanDerWaalsContact O-CG 3.31Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 3.2Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 2.75Å; L224-Y227 PolarHBondContact O-N 3.2Å; L224-K228 PolarHBondContact O-N 2.96Å |
| 225 | K | 89.9 | Confident | 87.6 | Confident | 149 Ų | 149 | 93 Ų | 93 | 65% | 0.648 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67 | -35.8 | 173.4 | -70.8 | 167 | -173.1 | 174.1 | 0 | 112.1 | D221 H222 I223 Y227 K228 | D221-K225 VanDerWaalsContact O-CG 3.28Å; D221-K225 WeakPolarHBondContact O-CG 3.34Å; D221-K225 PolarHBondContact O-N 3.22Å; H222-K225 WeakPolarHBondContact O-CB 3.38Å; H222-K225 PolarHBondContact O-N 3.15Å; H222-K225 VanDerWaalsContact O-N 3.15Å; I223-K225 PolarHBondContact O-N 3.42Å; K225-Y227 VanDerWaalsContact C-N 3.33Å; K225-Y227 PolarHBondContact O-N 3.06Å; K225-K228 PolarHBondContact O-N 3.07Å |
| 226 | L | 85.9 | Confident | 87 | Confident | 109 Ų | 109 | 99.2 Ų | 99.2 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -33.9 | 176.8 | -62.7 | 175 | 0 | 0 | 0 | 112.5 | M193 H222 I223 | M193-L226 HydrophobicContact SD-CD1 4.34Å; H222-L226 PolarHBondContact O-N 2.97Å; I223-L226 WeakPolarHBondContact O-CB 3.3Å; I223-L226 PolarHBondContact O-N 2.84Å |
| 227 | Y | 83 | Confident | 86.3 | Confident | 189 Ų | 189 | 103.9 Ų | 103.9 | 74% | 0.741 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -85.6 | -15.3 | 180 | -78.6 | -81.3 | 0 | 0 | 0 | 114.6 | I223 L224 K225 P229 | I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-Y227 HydrophobicContact CG2-CE2 3.8Å; I223-Y227 WeakPolarHBondContact O-CD2 3.45Å; I223-Y227 PolarHBondContact O-N 3.26Å; L224-Y227 PolarHBondContact O-N 3.2Å; K225-Y227 VanDerWaalsContact C-N 3.33Å; K225-Y227 PolarHBondContact O-N 3.06Å; Y227-P229 VanDerWaalsContact O-CD 3.3Å; Y227-P229 WeakPolarHBondContact O-CD 3.21Å |
| 228 | K | 79 | Confident | 85.6 | Confident | 156 Ų | 156 | 101.6 Ų | 101.6 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -114.5 | 81.2 | 176.7 | -67.9 | -175.5 | -178.9 | 179 | 0 | 109.5 | L224 K225 T230 | L224-K228 PolarHBondContact O-N 2.96Å; K225-K228 PolarHBondContact O-N 3.07Å; K228-T230 PolarHBondContact O-N 3.38Å |
| 229 | P | 60.8 | Low | 84.7 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 77% | 0.773 | 55% | 0.546 | S | S | * | . | trans | -59.4 | 128.3 | 175.2 | 25.2 | -31.4 | 0 | 0 | 0 | 108.7 | Y227 | Y227-P229 VanDerWaalsContact O-CD 3.3Å; Y227-P229 WeakPolarHBondContact O-CD 3.21Å | ||
| 230 | T | 59.1 | Low | 83.8 | Confident | 211 Ų | 211 | 117.9 Ų | 117.9 | 100% | 1.294 | 60% | 0.595 | S | S | * | * | trans | -75.5 | 0 | 179.5 | -25.7 | 0 | 0 | 0 | 0 | 110.6 | K228 | K228-T230 PolarHBondContact O-N 3.38Š|
Retrieved 230 of 230 residues in 506.4 ms
(Link to these results)