| 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 | 27.4 | Very low | 27.1 | Very low | 246 Ų | 246 | 168.5 Ų | 168.5 | 100% | 1.212 | 83% | 0.828 | S | S | * | * | 0 | 36 | 0 | -82 | 178.4 | -97.9 | 0 | 0 | 110.7 | |||||
| 2 | E | 24.4 | Very low | 27.1 | Very low | 198 Ų | 198 | 164.3 Ų | 164.3 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -113.1 | 98.3 | 169.2 | -77.4 | 176.6 | 150.7 | 0 | 0 | 106.9 | ||||
| 3 | A | 23.4 | Very low | 27.1 | Very low | 95 Ų | 95 | 164.2 Ų | 164.2 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -161.1 | 52.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | T | 29 | Very low | 27.3 | Very low | 131 Ų | 131 | 161.1 Ų | 161.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -156.5 | 59.6 | 172 | 21.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 5 | R | 31.2 | Very low | 27.3 | Very low | 186 Ų | 186 | 158.5 Ų | 158.5 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | -133.6 | 146.8 | 150.1 | -85.2 | -175.8 | 179 | -178.4 | -1.3 | 105.9 | ||||
| 6 | W | 25.9 | Very low | 27.4 | Very low | 228 Ų | 228 | 156.5 Ų | 156.5 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | 86.5 | 83.7 | -176.7 | -47.2 | 98.3 | 0 | 0 | 0 | 116.2 | ||||
| 7 | R | 25.9 | Very low | 27.6 | Very low | 233 Ų | 233 | 159 Ų | 159 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | -165.2 | 144 | 127 | -102.5 | 168.6 | -150.3 | -143.9 | 6.6 | 110 | |||||
| 8 | H | 30.6 | Very low | 27.6 | Very low | 166 Ų | 166 | 160.1 Ų | 160.1 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | 97.2 | 74 | 178.6 | -54 | -62.9 | 0 | 0 | 0 | 117 | ||||
| 9 | Q | 26.6 | Very low | 27.6 | Very low | 151 Ų | 151 | 161.2 Ų | 161.2 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | trans | -118.1 | 119.8 | 132 | -78.2 | -176.3 | -3.9 | 0 | 0 | 107.7 | ||||
| 10 | G | 26.7 | Very low | 27.7 | Very low | 78 Ų | 78 | 161.1 Ų | 161.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -140.4 | 87.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 11 | H | 26.9 | Very low | 27.7 | Very low | 142 Ų | 142 | 162 Ų | 162 | 66% | 0.657 | 84% | 0.835 | S | S | * | * | trans | -77 | 123.5 | 172.5 | -77.6 | -62 | 0 | 0 | 0 | 109.5 | I26 | H11-I26 WeakPolarHBondContact NE2-CD1 3.25Š| ||
| 12 | S | 26.7 | Very low | 27.8 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -136.1 | 98.6 | 155.5 | 67.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | L | 27.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -97.5 | 135.4 | 170.4 | -72.9 | 166.6 | 0 | 0 | 0 | 109.4 | ||||
| 14 | T | 30.6 | Very low | 29 | Very low | 122 Ų | 122 | 162.7 Ų | 162.7 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -82.7 | 147 | 173.1 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | T16 | T14-T16 PolarHBondContact O-N 3.14Å; T14-T16 VanDerWaalsContact O-N 3.09Å | ||
| 15 | P | 27.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 159.7 Ų | 159.7 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 79.3 | -171 | 33 | -34 | 0 | 0 | 0 | 111.9 | ||
| 16 | T | 28.9 | Very low | 30.1 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.1 | 10.2 | 165.9 | 2.7 | 0 | 0 | 0 | 0 | 118.1 | T14 | T14-T16 PolarHBondContact O-N 3.14Å; T14-T16 VanDerWaalsContact O-N 3.09Å |
| 17 | E | 29.4 | Very low | 31.4 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -132.3 | 54 | 174.2 | -67 | -178.9 | 164.9 | 0 | 0 | 110.3 | ||||
| 18 | M | 28.1 | Very low | 32.4 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -108.3 | 23.8 | -172.2 | -147.5 | -175.9 | 75.4 | 0 | 0 | 113.5 | ||||
| 19 | E | 28.2 | Very low | 33.6 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -135 | 122.3 | 173 | -68.8 | -179.4 | 167.2 | 0 | 0 | 107.6 | ||
| 20 | D | 29.3 | Very low | 34.8 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 95.8 | 48.4 | 173.5 | -52.9 | -19.2 | 0 | 0 | 0 | 119.3 | ||
| 21 | L | 26.9 | Very low | 36.1 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 95% | 0.948 | 72% | 0.719 | S | S | * | * | trans | -148.4 | 97.9 | 148.6 | -84.4 | 177.7 | 0 | 0 | 0 | 110 | Q23 | L21-Q23 PolarHBondContact O-N 3.43Š| ||
| 22 | E | 30.5 | Very low | 37.4 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | -63.6 | 121 | 172.8 | -72 | 177.1 | 150.5 | 0 | 0 | 111.2 | ||||
| 23 | Q | 36.4 | Very low | 38.8 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 69% | 0.689 | S | S | * | * | trans | 43.3 | 98.1 | 143 | -81.1 | 150.1 | -32.3 | 0 | 0 | 119.6 | L21 | L21-Q23 PolarHBondContact O-N 3.43Š| ||
| 24 | E | 36.1 | Very low | 40.2 | Very low | 197 Ų | 197 | 126.4 Ų | 126.4 | 92% | 0.921 | 66% | 0.664 | S | S | * | * | trans | -146.7 | 77.6 | 130.6 | -105.8 | 175.8 | -159 | 0 | 0 | 107.3 | ||||
| 25 | G | 37.4 | Very low | 41.4 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | trans | -67.6 | 148.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N27 | G25-N27 PolarHBondContact O-N 2.76Š| ||
| 26 | I | 45.5 | Very low | 42.6 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 48% | 0.482 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -40.4 | 116.9 | 163 | -64.1 | 162.3 | 0 | 0 | 0 | 107.9 | H11 E28 I31 | H11-I26 WeakPolarHBondContact NE2-CD1 3.25Å; I26-E28 PolarHBondContact O-N 3.33Å; I26-I31 HydrophobicContact CG2-CD1 4.01Å |
| 27 | N | 53 | Low | 43.9 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | trans | -54.6 | 105.7 | -169 | -154.3 | 11.3 | 0 | 0 | 0 | 109.8 | G25 E29 L30 I31 | G25-N27 PolarHBondContact O-N 2.76Å; N27-E29 PolarHBondContact O-N 3.08Å; N27-E29 VanDerWaalsContact O-N 3.09Å; N27-L30 HydrophobicContact CB-CB 4.28Å; N27-L30 HydrophobicContact CB-CD1 3.95Å; N27-L30 HydrophobicContact CB-CG 4.31Å; N27-L30 WeakPolarHBondContact O-CB 3.46Å; N27-L30 PolarHBondContact O-N 2.86Å; N27-I31 PolarHBondContact O-N 3.31Å | ||
| 28 | E | 48.4 | Very low | 45 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 75% | 0.752 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -54.3 | -29.5 | 177.7 | -74.9 | 176.2 | 156.7 | 0 | 0 | 110.7 | I26 L30 I31 E32 | I26-E28 PolarHBondContact O-N 3.33Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 2.97Å; E28-I31 PolarHBondContact O-N 3.08Å; E28-E32 PolarHBondContact O-N 3.31Å |
| 29 | E | 54.1 | Low | 46.2 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 45% | 0.453 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58 | -37.9 | 171.7 | -64 | -175 | 167 | 0 | 0 | 113.4 | N27 L33 K194 | N27-E29 PolarHBondContact O-N 3.08Å; N27-E29 VanDerWaalsContact O-N 3.09Å; E29-L33 VanDerWaalsContact O-CB 3.31Å; E29-L33 WeakPolarHBondContact O-CB 3.33Å; E29-L33 WeakPolarHBondContact O-CD1 3.46Å; E29-L33 WeakPolarHBondContact O-CG 3.22Å; E29-L33 PolarHBondContact O-N 3.27Å; E29-K194 IonicContact OE2-NZ 3.59Å; E29-K194 PolarHBondContact OE2-NZ 2.78Å |
| 30 | L | 52.9 | Low | 47.4 | Very low | 51 Ų | 51 | 110 Ų | 110 | 27% | 0.267 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.9 | -34.4 | 179.7 | -89.8 | 163.2 | 0 | 0 | 0 | 111.8 | N27 E28 A34 | N27-L30 HydrophobicContact CB-CB 4.28Å; N27-L30 HydrophobicContact CB-CD1 3.95Å; N27-L30 HydrophobicContact CB-CG 4.31Å; N27-L30 WeakPolarHBondContact O-CB 3.46Å; N27-L30 PolarHBondContact O-N 2.86Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 2.97Å; L30-A34 WeakPolarHBondContact O-CB 3.46Å; L30-A34 PolarHBondContact O-N 3.35Å |
| 31 | I | 55 | Low | 48.3 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.9 | -43.9 | 174.7 | -65.5 | 174.3 | 0 | 0 | 0 | 109.3 | I26 N27 E28 L33 A34 I35 | I26-I31 HydrophobicContact CG2-CD1 4.01Å; N27-I31 PolarHBondContact O-N 3.31Å; E28-I31 PolarHBondContact O-N 3.08Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 2.9Å; I31-A34 PolarHBondContact O-N 2.95Å; I31-I35 HydrophobicContact CG2-CD1 3.58Å; I31-I35 HydrophobicContact CG2-CG1 4.31Å; I31-I35 VanDerWaalsContact O-CB 3.27Å; I31-I35 WeakPolarHBondContact O-CB 3.44Å; I31-I35 WeakPolarHBondContact O-CD1 3.39Å; I31-I35 WeakPolarHBondContact O-CG1 3.35Å; I31-I35 PolarHBondContact O-N 3.17Å |
| 32 | E | 53.7 | Low | 49.1 | Very low | 128 Ų | 128 | 102.7 Ų | 102.7 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 172.9 | -81.7 | -170 | 151.2 | 0 | 0 | 112.3 | E28 I35 L36 | E28-E32 PolarHBondContact O-N 3.31Å; E32-I35 PolarHBondContact O-N 3.45Å; E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 VanDerWaalsContact O-CG 3.23Å; E32-L36 WeakPolarHBondContact O-CG 3.5Å; E32-L36 PolarHBondContact O-N 3.31Å |
| 33 | L | 55.8 | Low | 49.7 | Very low | 49 Ų | 49 | 102.9 Ų | 102.9 | 26% | 0.257 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 177 | -80.4 | 161.8 | 0 | 0 | 0 | 112.6 | E29 I31 I35 L36 E37 | E29-L33 VanDerWaalsContact O-CB 3.31Å; E29-L33 WeakPolarHBondContact O-CB 3.33Å; E29-L33 WeakPolarHBondContact O-CD1 3.46Å; E29-L33 WeakPolarHBondContact O-CG 3.22Å; E29-L33 PolarHBondContact O-N 3.27Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 2.9Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.39Å; L33-L36 PolarHBondContact O-N 3.45Å; L33-E37 PolarHBondContact O-N 2.95Å |
| 34 | A | 55.7 | Low | 50.2 | Low | 38 Ų | 38 | 102.3 Ų | 102.3 | 31% | 0.314 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L30 I31 S38 | L30-A34 WeakPolarHBondContact O-CB 3.46Å; L30-A34 PolarHBondContact O-N 3.35Å; I31-A34 PolarHBondContact O-N 2.95Å; A34-S38 WeakPolarHBondContact O-CB 3.21Å; A34-S38 PolarHBondContact O-N 3.34Å |
| 35 | I | 56.3 | Low | 50.2 | Low | 86 Ų | 86 | 98 Ų | 98 | 44% | 0.441 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 172.8 | -72.1 | 169 | 0 | 0 | 0 | 110.3 | I31 E32 L33 S38 I39 | I31-I35 HydrophobicContact CG2-CD1 3.58Å; I31-I35 HydrophobicContact CG2-CG1 4.31Å; I31-I35 VanDerWaalsContact O-CB 3.27Å; I31-I35 WeakPolarHBondContact O-CB 3.44Å; I31-I35 WeakPolarHBondContact O-CD1 3.39Å; I31-I35 WeakPolarHBondContact O-CG1 3.35Å; I31-I35 PolarHBondContact O-N 3.17Å; E32-I35 PolarHBondContact O-N 3.45Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.39Å; I35-S38 PolarHBondContact O-N 2.93Å; I35-I39 HydrophobicContact CG2-CD1 3.4Å; I35-I39 VanDerWaalsContact CG2-CD1 3.4Å; I35-I39 HydrophobicContact CG2-CG1 4.1Å; I35-I39 VanDerWaalsContact O-CB 3.24Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 WeakPolarHBondContact O-CG1 3.47Å; I35-I39 PolarHBondContact O-N 3.42Å |
| 36 | L | 53.6 | Low | 50.4 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.5 | -76.6 | 167.4 | 0 | 0 | 0 | 112.6 | E32 L33 I39 Q40 | E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 VanDerWaalsContact O-CG 3.23Å; E32-L36 WeakPolarHBondContact O-CG 3.5Å; E32-L36 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 3.45Å; L36-I39 PolarHBondContact O-N 3.36Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 PolarHBondContact O-N 3.44Å |
| 37 | E | 54.8 | Low | 49.7 | Very low | 129 Ų | 129 | 102.2 Ų | 102.2 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.8 | -46.3 | 172.2 | -79.7 | -173 | 154.6 | 0 | 0 | 111.3 | L33 I39 Q40 D41 | L33-E37 PolarHBondContact O-N 2.95Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.38Å; E37-Q40 PolarHBondContact O-N 3.03Å; E37-D41 PolarHBondContact O-N 2.9Å; E37-D41 VanDerWaalsContact O-N 3.07Å |
| 38 | S | 53.6 | Low | 48.9 | Very low | 84 Ų | 84 | 104.5 Ų | 104.5 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -31.3 | 178.6 | -168.2 | 0 | 0 | 0 | 0 | 112.8 | A34 I35 A42 | A34-S38 WeakPolarHBondContact O-CB 3.21Å; A34-S38 PolarHBondContact O-N 3.34Å; I35-S38 PolarHBondContact O-N 2.93Å; S38-A42 VanDerWaalsContact O-CB 3.24Å; S38-A42 WeakPolarHBondContact O-CB 3.24Å; S38-A42 PolarHBondContact O-N 3.3Å; S38-A42 VanDerWaalsContact O-N 3.08Å |
| 39 | I | 53.4 | Low | 48.4 | Very low | 76 Ų | 76 | 105.7 Ų | 105.7 | 39% | 0.39 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73 | -43 | 174.7 | -74.2 | 172.4 | 0 | 0 | 0 | 110.1 | I35 L36 E37 D41 A42 Y43 | I35-I39 HydrophobicContact CG2-CD1 3.4Å; I35-I39 VanDerWaalsContact CG2-CD1 3.4Å; I35-I39 HydrophobicContact CG2-CG1 4.1Å; I35-I39 VanDerWaalsContact O-CB 3.24Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 WeakPolarHBondContact O-CG1 3.47Å; I35-I39 PolarHBondContact O-N 3.42Å; L36-I39 PolarHBondContact O-N 3.36Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.38Å; I39-D41 VanDerWaalsContact C-N 3.32Å; I39-D41 PolarHBondContact O-N 3.25Å; I39-A42 PolarHBondContact O-N 3.29Å; I39-Y43 HydrophobicContact CG2-CD2 3.6Å; I39-Y43 HydrophobicContact CG2-CE2 3.85Å; I39-Y43 WeakPolarHBondContact O-CB 3.44Å; I39-Y43 VanDerWaalsContact O-CD2 3.31Å; I39-Y43 WeakPolarHBondContact O-CD2 3.43Å; I39-Y43 PolarHBondContact O-N 2.88Å |
| 40 | Q | 53.9 | Low | 47.5 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63 | -36.4 | 177 | -93.8 | -178.6 | -20.1 | 0 | 0 | 112.7 | L36 E37 | L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 PolarHBondContact O-N 3.44Å; E37-Q40 PolarHBondContact O-N 3.03Å |
| 41 | D | 46.8 | Very low | 46.6 | Very low | 109 Ų | 109 | 121 Ų | 121 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.1 | -32.5 | 173.6 | -90.3 | -22.3 | 0 | 0 | 0 | 113.1 | E37 I39 K44 | E37-D41 PolarHBondContact O-N 2.9Å; E37-D41 VanDerWaalsContact O-N 3.07Å; I39-D41 VanDerWaalsContact C-N 3.32Å; I39-D41 PolarHBondContact O-N 3.25Å; D41-K44 IonicContact OD1-NZ 3.3Å; D41-K44 PolarHBondContact OD1-NZ 3.05Å |
| 42 | A | 43.5 | Very low | 46.3 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.8 | -28 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S38 I39 K44 | S38-A42 VanDerWaalsContact O-CB 3.24Å; S38-A42 WeakPolarHBondContact O-CB 3.24Å; S38-A42 PolarHBondContact O-N 3.3Å; S38-A42 VanDerWaalsContact O-N 3.08Å; I39-A42 PolarHBondContact O-N 3.29Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.95Å |
| 43 | Y | 44.2 | Very low | 46.3 | Very low | 190 Ų | 190 | 125.9 Ų | 125.9 | 75% | 0.745 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 17 | -179.8 | -85.7 | -87 | 0 | 0 | 0 | 114.7 | I39 C45 | I39-Y43 HydrophobicContact CG2-CD2 3.6Å; I39-Y43 HydrophobicContact CG2-CE2 3.85Å; I39-Y43 WeakPolarHBondContact O-CB 3.44Å; I39-Y43 VanDerWaalsContact O-CD2 3.31Å; I39-Y43 WeakPolarHBondContact O-CD2 3.43Å; I39-Y43 PolarHBondContact O-N 2.88Å; Y43-C45 PolarHBondContact O-N 3.39Å; Y43-C45 VanDerWaalsContact O-N 3.09Å |
| 44 | K | 47.2 | Very low | 46.9 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -68.7 | 5.3 | 170.3 | -87.4 | 171.8 | -178.7 | 153.9 | 0 | 114.8 | D41 A42 | D41-K44 IonicContact OD1-NZ 3.3Å; D41-K44 PolarHBondContact OD1-NZ 3.05Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.95Å |
| 45 | C | 35.9 | Very low | 48 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -134.7 | 133.4 | 170.4 | -95.4 | 0 | 0 | 0 | 0 | 115.4 | Y43 | Y43-C45 PolarHBondContact O-N 3.39Å; Y43-C45 VanDerWaalsContact O-N 3.09Å |
| 46 | S | 41.2 | Very low | 49.4 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | 70.5 | 81.6 | 163.7 | 53.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 47 | V | 31.5 | Very low | 51 | Low | 133 Ų | 133 | 129.8 Ų | 129.8 | 81% | 0.806 | 66% | 0.664 | S | S | * | * | trans | -98.2 | 132.7 | 137.5 | -171 | 0 | 0 | 0 | 0 | 107.4 | E49 | V47-E49 PolarHBondContact O-N 2.92Š| ||
| 48 | P | 36.4 | Very low | 52.6 | Low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -60.8 | 132.5 | -179.3 | -19.7 | 30.6 | 0 | 0 | 0 | 111.8 | Y50 | P48-Y50 PolarHBondContact O-N 2.91Š| ||
| 49 | E | 37.4 | Very low | 54.3 | Low | 186 Ų | 186 | 122.7 Ų | 122.7 | 87% | 0.869 | 62% | 0.623 | S | S | * | * | trans | -56.6 | 103.4 | 173.6 | -73.6 | 177.6 | 147.1 | 0 | 0 | 110.3 | V47 W51 | V47-E49 PolarHBondContact O-N 2.92Å; E49-W51 PolarHBondContact O-N 3.06Å | ||
| 50 | Y | 35 | Very low | 56 | Low | 221 Ų | 221 | 124.7 Ų | 124.7 | 87% | 0.867 | 63% | 0.632 | S | S | * | * | trans | -67.6 | 121.2 | 160.9 | -140.1 | -93.3 | 0 | 0 | 0 | 106.8 | P48 K52 | P48-Y50 PolarHBondContact O-N 2.91Å; Y50-K52 PolarHBondContact O-N 3.1Å | ||
| 51 | W | 34.4 | Very low | 57.7 | Low | 247 Ų | 247 | 123.8 Ų | 123.8 | 94% | 0.936 | 63% | 0.626 | S | S | * | * | trans | -51.8 | 92.1 | -175.7 | -63.2 | 68.9 | 0 | 0 | 0 | 111.3 | E49 | E49-W51 PolarHBondContact O-N 3.06Š| ||
| 52 | K | 48.6 | Very low | 59.8 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 131.5 | 165.7 | -84.3 | -171.6 | 174.5 | -171.7 | 0 | 107.3 | Y50 S87 | Y50-K52 PolarHBondContact O-N 3.1Å; K52-S87 PolarHBondContact NZ-OG 2.94Å |
| 53 | Q | 54.3 | Low | 62.1 | Low | 172 Ų | 172 | 115.8 Ų | 115.8 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 143.7 | 169.8 | -71.7 | -178.2 | -11 | 0 | 0 | 109.3 | N55 | Q53-N55 PolarHBondContact O-N 3.29Š|
| 54 | P | 68.5 | Low | 64.4 | Low | 126 Ų | 126 | 110 Ų | 110 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 131.5 | 178 | 22.7 | -31.7 | 0 | 0 | 0 | 109.8 | ||
| 55 | N | 77.9 | Confident | 66.5 | Low | 57 Ų | 57 | 102.7 Ų | 102.7 | 31% | 0.305 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 145.1 | 179.2 | -67.5 | 3.1 | 0 | 0 | 0 | 110.3 | Q53 F59 E86 S87 | Q53-N55 PolarHBondContact O-N 3.29Å; N55-F59 HydrophobicContact CB-CB 4.48Å; N55-F59 HydrophobicContact CB-CD1 3.61Å; N55-F59 HydrophobicContact CB-CE1 4.23Å; N55-F59 HydrophobicContact CB-CG 4.29Å; N55-F59 VanDerWaalsContact ND2-CD1 3.34Å; N55-F59 WeakPolarHBondContact ND2-CD1 3.31Å; N55-F59 WeakPolarHBondContact ND2-CE1 3.34Å; N55-E86 VanDerWaalsContact CA-OE2 3.23Å; N55-E86 WeakPolarHBondContact CA-OE2 3.26Å; N55-E86 WeakPolarHBondContact CB-OE2 3.39Å; N55-S87 PolarHBondContact ND2-O 3.28Å |
| 56 | S | 85.6 | Confident | 69.2 | Low | 37 Ų | 37 | 97.6 Ų | 97.6 | 26% | 0.259 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 152 | -177.7 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | N58 F59 M60 E86 | S56-N58 PolarHBondContact O-N 3.21Å; S56-F59 WeakPolarHBondContact O-CB 3.41Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F59 VanDerWaalsContact O-N 3.09Å; S56-F59 PolarHBondContact OG-N 3.34Å; S56-M60 PolarHBondContact O-N 2.87Å; S56-M60 VanDerWaalsContact O-N 3.12Å; S56-E86 WeakPolarHBondContact CB-OE1 3.48Å; S56-E86 PolarHBondContact N-OE2 3.14Å; S56-E86 PolarHBondContact OG-OE1 2.92Å |
| 57 | E | 87.1 | Confident | 71.4 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.6 | -32 | 174 | -164.9 | -170.5 | 156.4 | 0 | 0 | 111.4 | M60 K61 | E57-M60 PolarHBondContact O-N 2.97Å; E57-K61 VanDerWaalsContact O-CG 3.31Å; E57-K61 WeakPolarHBondContact O-CG 3.44Å; E57-K61 PolarHBondContact O-N 3.35Å; E57-K61 WeakPolarHBondContact OE1-CE 3.43Å; E57-K61 IonicContact OE1-NZ 2.68Å; E57-K61 PolarHBondContact OE1-NZ 2.94Å |
| 58 | N | 87.6 | Confident | 74.2 | Confident | 59 Ų | 59 | 98.2 Ų | 98.2 | 32% | 0.316 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 176.7 | -68.9 | -24.2 | 0 | 0 | 0 | 112 | S56 K61 I62 C80 A83 | S56-N58 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact O-N 3.08Å; N58-I62 WeakPolarHBondContact O-CB 3.3Å; N58-I62 VanDerWaalsContact O-CG1 3.25Å; N58-I62 WeakPolarHBondContact O-CG1 3.38Å; N58-I62 PolarHBondContact O-N 3.03Å; N58-C80 HydrophobicContact CB-CB 4.29Å; N58-A83 HydrophobicContact CB-CB 3.93Å |
| 59 | F | 89.4 | Confident | 76.8 | Confident | 5 Ų | 5 | 93.1 Ų | 93.1 | 2% | 0.022 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 172.8 | 171.9 | -95.8 | 0 | 0 | 0 | 111.3 | N55 S56 K61 I62 M63 A83 E86 D88 P94 | N55-F59 HydrophobicContact CB-CB 4.48Å; N55-F59 HydrophobicContact CB-CD1 3.61Å; N55-F59 HydrophobicContact CB-CE1 4.23Å; N55-F59 HydrophobicContact CB-CG 4.29Å; N55-F59 VanDerWaalsContact ND2-CD1 3.34Å; N55-F59 WeakPolarHBondContact ND2-CD1 3.31Å; N55-F59 WeakPolarHBondContact ND2-CE1 3.34Å; S56-F59 WeakPolarHBondContact O-CB 3.41Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F59 VanDerWaalsContact O-N 3.09Å; S56-F59 PolarHBondContact OG-N 3.34Å; F59-K61 VanDerWaalsContact C-N 3.33Å; F59-K61 PolarHBondContact O-N 3.04Å; F59-I62 PolarHBondContact O-N 3.23Å; F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CD2-CG 4.14Å; F59-M63 HydrophobicContact CE1-CG 3.7Å; F59-M63 HydrophobicContact CE2-CG 3.7Å; F59-M63 HydrophobicContact CE2-SD 3.94Å; F59-M63 HydrophobicContact CG-CG 4.39Å; F59-M63 HydrophobicContact CZ-CG 3.47Å; F59-M63 VanDerWaalsContact CZ-CG 3.47Å; F59-M63 HydrophobicContact CZ-SD 3.96Å; F59-M63 WeakPolarHBondContact O-CG 3.25Å; F59-M63 PolarHBondContact O-N 3.42Å; F59-A83 HydrophobicContact CB-CB 4.33Å; F59-A83 WeakPolarHBondContact CD2-O 3.07Å; F59-E86 HydrophobicContact CB-CB 4.08Å; F59-E86 HydrophobicContact CD2-CB 3.47Å; F59-E86 VanDerWaalsContact CD2-CB 3.47Å; F59-E86 HydrophobicContact CE2-CB 3.99Å; F59-E86 WeakPolarHBondContact CE2-O 3.48Å; F59-E86 HydrophobicContact CG-CB 3.79Å; F59-D88 HydrophobicContact CE1-CB 4.45Å; F59-D88 HydrophobicContact CZ-CB 4.15Å; F59-P94 HydrophobicContact CD2-CG 4.17Å; F59-P94 HydrophobicContact CE2-CG 4.05Å |
| 60 | M | 89.3 | Confident | 79.4 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 59% | 0.586 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 176.9 | -68.9 | -83.6 | -82 | 0 | 0 | 111.7 | S56 E57 T64 | S56-M60 PolarHBondContact O-N 2.87Å; S56-M60 VanDerWaalsContact O-N 3.12Å; E57-M60 PolarHBondContact O-N 2.97Å; M60-T64 WeakPolarHBondContact O-CB 3.4Å; M60-T64 VanDerWaalsContact O-CG2 3.27Å; M60-T64 WeakPolarHBondContact O-CG2 3.49Å; M60-T64 PolarHBondContact O-N 3.38Å; M60-T64 PolarHBondContact O-OG1 2.9Å |
| 61 | K | 90.4 | Very high | 82.1 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 174.9 | -73.6 | 171.9 | -176.4 | 166.9 | 0 | 112.7 | E57 N58 F59 T64 A65 L77 | E57-K61 VanDerWaalsContact O-CG 3.31Å; E57-K61 WeakPolarHBondContact O-CG 3.44Å; E57-K61 PolarHBondContact O-N 3.35Å; E57-K61 WeakPolarHBondContact OE1-CE 3.43Å; E57-K61 IonicContact OE1-NZ 2.68Å; E57-K61 PolarHBondContact OE1-NZ 2.94Å; N58-K61 PolarHBondContact O-N 3.08Å; F59-K61 VanDerWaalsContact C-N 3.33Å; F59-K61 PolarHBondContact O-N 3.04Å; K61-T64 WeakPolarHBondContact CA-OG1 3.44Å; K61-T64 PolarHBondContact O-OG1 3.09Å; K61-A65 WeakPolarHBondContact O-CB 3.29Å; K61-A65 PolarHBondContact O-N 2.99Å; K61-L77 HydrophobicContact CB-CD1 3.8Å |
| 62 | I | 91.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 175.7 | -73.1 | 165.2 | 0 | 0 | 0 | 110.4 | N58 F59 T64 A65 I66 L74 L77 A83 F84 P94 | N58-I62 WeakPolarHBondContact O-CB 3.3Å; N58-I62 VanDerWaalsContact O-CG1 3.25Å; N58-I62 WeakPolarHBondContact O-CG1 3.38Å; N58-I62 PolarHBondContact O-N 3.03Å; F59-I62 PolarHBondContact O-N 3.23Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 3.27Å; I62-A65 WeakPolarHBondContact O-CB 3.31Å; I62-A65 PolarHBondContact O-N 3.34Å; I62-I66 HydrophobicContact CG2-CD1 3.76Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 2.49Å; I62-L74 HydrophobicContact CG2-CD1 3.85Å; I62-L77 HydrophobicContact CD1-CB 4.42Å; I62-L77 HydrophobicContact CG1-CB 3.84Å; I62-L77 HydrophobicContact CG1-CD1 3.99Å; I62-L77 HydrophobicContact CG1-CG 4.48Å; I62-A83 HydrophobicContact CD1-CB 3.65Å; I62-F84 HydrophobicContact CD1-CD2 4.18Å; I62-F84 HydrophobicContact CD1-CE1 4.22Å; I62-F84 HydrophobicContact CD1-CE2 3.78Å; I62-F84 HydrophobicContact CD1-CZ 3.81Å; I62-F84 HydrophobicContact CG1-CZ 4.34Å; I62-F84 HydrophobicContact CG2-CE1 4.12Å; I62-P94 HydrophobicContact CG2-CB 3.74Å; I62-P94 HydrophobicContact CG2-CG 3.77Å |
| 63 | M | 90.9 | Very high | 86.7 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | -179.8 | -67 | -59.9 | -68.7 | 0 | 0 | 111.8 | F59 A65 I66 D67 P94 A97 | F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CD2-CG 4.14Å; F59-M63 HydrophobicContact CE1-CG 3.7Å; F59-M63 HydrophobicContact CE2-CG 3.7Å; F59-M63 HydrophobicContact CE2-SD 3.94Å; F59-M63 HydrophobicContact CG-CG 4.39Å; F59-M63 HydrophobicContact CZ-CG 3.47Å; F59-M63 VanDerWaalsContact CZ-CG 3.47Å; F59-M63 HydrophobicContact CZ-SD 3.96Å; F59-M63 WeakPolarHBondContact O-CG 3.25Å; F59-M63 PolarHBondContact O-N 3.42Å; M63-A65 PolarHBondContact O-N 3.13Å; M63-I66 PolarHBondContact O-N 3.11Å; M63-I66 HydrophobicContact SD-CD1 4.29Å; M63-D67 WeakPolarHBondContact O-CB 3.36Å; M63-D67 PolarHBondContact O-N 3.41Å; M63-P94 HydrophobicContact SD-CB 4.38Å; M63-P94 HydrophobicContact SD-CG 4.1Å; M63-A97 HydrophobicContact CE-CB 3.76Å; M63-A97 HydrophobicContact SD-CB 4.26Å |
| 64 | T | 91.9 | Very high | 88.4 | Confident | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | M60 K61 I62 D67 K68 | M60-T64 WeakPolarHBondContact O-CB 3.4Å; M60-T64 VanDerWaalsContact O-CG2 3.27Å; M60-T64 WeakPolarHBondContact O-CG2 3.49Å; M60-T64 PolarHBondContact O-N 3.38Å; M60-T64 PolarHBondContact O-OG1 2.9Å; K61-T64 WeakPolarHBondContact CA-OG1 3.44Å; K61-T64 PolarHBondContact O-OG1 3.09Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 3.27Å; T64-D67 PolarHBondContact O-N 3.1Å; T64-K68 WeakPolarHBondContact O-CB 3.49Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.91Å |
| 65 | A | 92.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K61 I62 M63 K68 G69 D70 A73 L74 | K61-A65 WeakPolarHBondContact O-CB 3.29Å; K61-A65 PolarHBondContact O-N 2.99Å; I62-A65 WeakPolarHBondContact O-CB 3.31Å; I62-A65 PolarHBondContact O-N 3.34Å; M63-A65 PolarHBondContact O-N 3.13Å; A65-K68 PolarHBondContact O-N 2.98Å; A65-G69 PolarHBondContact O-N 3.22Å; A65-D70 PolarHBondContact O-N 3.01Å; A65-A73 HydrophobicContact CB-CB 4.06Å; A65-L74 HydrophobicContact CB-CB 4.42Å |
| 66 | I | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.8 | -66.7 | 164.3 | 0 | 0 | 0 | 110.8 | I62 M63 K68 G69 L74 P94 A97 V98 | I62-I66 HydrophobicContact CG2-CD1 3.76Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 2.49Å; M63-I66 PolarHBondContact O-N 3.11Å; M63-I66 HydrophobicContact SD-CD1 4.29Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.23Å; I66-G69 PolarHBondContact O-N 3.23Å; I66-G69 VanDerWaalsContact O-N 3.1Å; I66-L74 HydrophobicContact CD1-CD1 4.39Å; I66-L74 HydrophobicContact CG1-CD1 4.07Å; I66-L74 HydrophobicContact CG1-CD2 4.15Å; I66-P94 HydrophobicContact CD1-CB 3.73Å; I66-A97 HydrophobicContact CD1-CB 4.47Å; I66-A97 HydrophobicContact CG2-CB 3.9Å; I66-V98 HydrophobicContact CB-CG1 4.27Å; I66-V98 HydrophobicContact CD1-CG1 3.68Å; I66-V98 HydrophobicContact CG1-CG1 3.57Å; I66-V98 HydrophobicContact CG2-CG1 3.71Å |
| 67 | D | 89.1 | Confident | 89.9 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.7 | -79.4 | -29.7 | 0 | 0 | 0 | 112.7 | M63 T64 G69 R101 | M63-D67 WeakPolarHBondContact O-CB 3.36Å; M63-D67 PolarHBondContact O-N 3.41Å; T64-D67 PolarHBondContact O-N 3.1Å; D67-G69 VanDerWaalsContact C-N 3.29Å; D67-R101 PolarHBondContact O-NH1 2.89Å; D67-R101 IonicContact OD1-CZ 3.81Å; D67-R101 IonicContact OD1-NH1 3Å; D67-R101 IonicContact OD1-NH2 3.74Å; D67-R101 PolarHBondContact OD1-NH2 3.44Å |
| 68 | K | 90.6 | Very high | 89.6 | Confident | 172 Ų | 172 | 54.5 Ų | 54.5 | 75% | 0.748 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -78.8 | -12.9 | 176.2 | -68.3 | 176.3 | -178.3 | 178.4 | 0 | 113.3 | T64 A65 I66 | T64-K68 WeakPolarHBondContact O-CB 3.49Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.91Å; A65-K68 PolarHBondContact O-N 2.98Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.23Å |
| 69 | G | 89.6 | Confident | 89.2 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 31.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A65 I66 D67 V71 K103 M106 | A65-G69 PolarHBondContact O-N 3.22Å; I66-G69 PolarHBondContact O-N 3.23Å; I66-G69 VanDerWaalsContact O-N 3.1Å; D67-G69 VanDerWaalsContact C-N 3.29Å; G69-V71 PolarHBondContact O-N 3.29Å; G69-K103 PolarHBondContact O-NZ 2.84Å; G69-M106 VanDerWaalsContact CA-SD 3.55Å |
| 70 | D | 91.8 | Very high | 88.9 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | trans | -90.5 | 95.2 | -177.5 | -171.8 | -16.3 | 0 | 0 | 0 | 111 | A65 A72 A73 L74 | A65-D70 PolarHBondContact O-N 3.01Å; D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 2.72Å; D70-A72 PolarHBondContact OD1-N 3.07Å; D70-A72 VanDerWaalsContact OD1-N 3.12Å; D70-A73 HydrophobicContact CB-CB 4.07Å; D70-A73 VanDerWaalsContact CG-CB 3.45Å; D70-A73 PolarHBondContact OD1-N 2.97Å; D70-A73 WeakPolarHBondContact OD2-CB 3.47Å; D70-L74 WeakPolarHBondContact O-CB 3.49Å; D70-L74 PolarHBondContact O-N 3.25Å; D70-L74 VanDerWaalsContact O-N 3.11Å | ||
| 71 | V | 91.4 | Very high | 88.3 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -34.9 | -178.8 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | G69 L74 Q75 E105 M106 V109 | G69-V71 PolarHBondContact O-N 3.29Å; V71-L74 PolarHBondContact O-N 3.44Å; V71-Q75 WeakPolarHBondContact O-CB 3.39Å; V71-Q75 PolarHBondContact O-N 3.48Å; V71-E105 HydrophobicContact CG1-CB 4.23Å; V71-E105 HydrophobicContact CG2-CB 4.15Å; V71-M106 HydrophobicContact CG2-CG 3.85Å; V71-V109 HydrophobicContact CG1-CG2 4.01Å |
| 72 | A | 90.4 | Very high | 87.9 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.1 | -44 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D70 L74 Q75 Q76 | D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 2.72Å; D70-A72 PolarHBondContact OD1-N 3.07Å; D70-A72 VanDerWaalsContact OD1-N 3.12Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-Q75 PolarHBondContact O-N 3.24Å; A72-Q76 WeakPolarHBondContact O-CG 3.19Å; A72-Q76 PolarHBondContact O-N 3.3Å; A72-Q76 VanDerWaalsContact O-N 3.08Å |
| 73 | A | 89.6 | Confident | 87.7 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A65 D70 Q75 Q76 L77 | A65-A73 HydrophobicContact CB-CB 4.06Å; D70-A73 HydrophobicContact CB-CB 4.07Å; D70-A73 VanDerWaalsContact CG-CB 3.45Å; D70-A73 PolarHBondContact OD1-N 2.97Å; D70-A73 WeakPolarHBondContact OD2-CB 3.47Å; A73-Q75 PolarHBondContact O-N 2.92Å; A73-Q76 PolarHBondContact O-N 3.18Å; A73-L77 WeakPolarHBondContact O-CD1 3.47Å; A73-L77 WeakPolarHBondContact O-CG 3.3Å; A73-L77 PolarHBondContact O-N 3.24Å |
| 74 | L | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 177 | -170.9 | 61.3 | 0 | 0 | 0 | 112.2 | I62 A65 I66 D70 V71 A72 L77 S78 F84 M106 V109 V110 | I62-L74 HydrophobicContact CG2-CD1 3.85Å; A65-L74 HydrophobicContact CB-CB 4.42Å; I66-L74 HydrophobicContact CD1-CD1 4.39Å; I66-L74 HydrophobicContact CG1-CD1 4.07Å; I66-L74 HydrophobicContact CG1-CD2 4.15Å; D70-L74 WeakPolarHBondContact O-CB 3.49Å; D70-L74 PolarHBondContact O-N 3.25Å; D70-L74 VanDerWaalsContact O-N 3.11Å; V71-L74 PolarHBondContact O-N 3.44Å; A72-L74 VanDerWaalsContact C-N 3.33Å; L74-L77 PolarHBondContact O-N 2.92Å; L74-S78 PolarHBondContact O-N 2.87Å; L74-F84 HydrophobicContact CD1-CE1 4.44Å; L74-M106 HydrophobicContact CD2-CB 3.93Å; L74-M106 HydrophobicContact CD2-CG 4.2Å; L74-V109 HydrophobicContact CD2-CB 4.31Å; L74-V109 HydrophobicContact CD2-CG1 4.41Å; L74-V109 HydrophobicContact CG-CB 4.44Å; L74-V109 HydrophobicContact CG-CG1 4Å; L74-V110 HydrophobicContact CD2-CG2 4.02Å |
| 75 | Q | 88.8 | Confident | 87.2 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.9 | -167.7 | 73.8 | 26.1 | 0 | 0 | 112.2 | V71 A72 A73 L77 S78 V109 | V71-Q75 WeakPolarHBondContact O-CB 3.39Å; V71-Q75 PolarHBondContact O-N 3.48Å; A72-Q75 PolarHBondContact O-N 3.24Å; A73-Q75 PolarHBondContact O-N 2.92Å; Q75-L77 PolarHBondContact O-N 3.05Å; Q75-S78 WeakPolarHBondContact O-CB 3.37Å; Q75-S78 PolarHBondContact O-N 3.36Å; Q75-S78 PolarHBondContact O-OG 2.82Å; Q75-V109 HydrophobicContact CB-CG1 4.49Å; Q75-V109 VanDerWaalsContact OE1-CG1 3.31Å |
| 76 | Q | 88.1 | Confident | 87.1 | Confident | 155 Ų | 155 | 58.5 Ų | 58.5 | 72% | 0.724 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.2 | -30.4 | 176.7 | -72.7 | 176.9 | -0 | 0 | 0 | 112.4 | A72 A73 | A72-Q76 WeakPolarHBondContact O-CG 3.19Å; A72-Q76 PolarHBondContact O-N 3.3Å; A72-Q76 VanDerWaalsContact O-N 3.08Å; A73-Q76 PolarHBondContact O-N 3.18Å |
| 77 | L | 86.2 | Confident | 87 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1.3 | 180 | -64.8 | 166.9 | 0 | 0 | 0 | 112.9 | K61 I62 A73 L74 Q75 C79 C80 F84 | K61-L77 HydrophobicContact CB-CD1 3.8Å; I62-L77 HydrophobicContact CD1-CB 4.42Å; I62-L77 HydrophobicContact CG1-CB 3.84Å; I62-L77 HydrophobicContact CG1-CD1 3.99Å; I62-L77 HydrophobicContact CG1-CG 4.48Å; A73-L77 WeakPolarHBondContact O-CD1 3.47Å; A73-L77 WeakPolarHBondContact O-CG 3.3Å; A73-L77 PolarHBondContact O-N 3.24Å; L74-L77 PolarHBondContact O-N 2.92Å; Q75-L77 PolarHBondContact O-N 3.05Å; L77-C79 PolarHBondContact O-N 3.49Å; L77-C79 VanDerWaalsContact O-N 3.16Å; L77-C80 WeakPolarHBondContact O-CB 3.15Å; L77-C80 PolarHBondContact O-N 3.28Å; L77-F84 WeakPolarHBondContact O-CE2 3.49Å |
| 78 | S | 81.4 | Confident | 87 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.7 | -177 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | L74 Q75 C80 | L74-S78 PolarHBondContact O-N 2.87Å; Q75-S78 WeakPolarHBondContact O-CB 3.37Å; Q75-S78 PolarHBondContact O-N 3.36Å; Q75-S78 PolarHBondContact O-OG 2.82Å; S78-C80 VanDerWaalsContact C-N 3.31Å |
| 79 | C | 78.4 | Confident | 86.8 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 70% | 0.696 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.6 | 175.4 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | L77 A81 | L77-C79 PolarHBondContact O-N 3.49Å; L77-C79 VanDerWaalsContact O-N 3.16Å; C79-A81 PolarHBondContact O-N 3.25Å |
| 80 | C | 82.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | trans | -82.7 | 61.9 | -179.9 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | N58 L77 S78 S82 A83 F84 | N58-C80 HydrophobicContact CB-CB 4.29Å; L77-C80 WeakPolarHBondContact O-CB 3.15Å; L77-C80 PolarHBondContact O-N 3.28Å; S78-C80 VanDerWaalsContact C-N 3.31Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.42Å; C80-A83 HydrophobicContact CB-CB 4.33Å; C80-A83 WeakPolarHBondContact O-CB 3.02Å; C80-A83 PolarHBondContact O-N 2.98Å; C80-F84 WeakPolarHBondContact O-CD2 3.36Å | ||
| 81 | A | 77.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -43 | -54.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C79 A83 F84 M117 | C79-A81 PolarHBondContact O-N 3.25Å; A81-A83 PolarHBondContact O-N 3.36Å; A81-A83 VanDerWaalsContact O-N 3.1Å; A81-F84 PolarHBondContact O-N 3.2Å; A81-M117 WeakPolarHBondContact CA-SD 3.15Å; A81-M117 HydrophobicContact CB-CE 3.61Å; A81-M117 HydrophobicContact CB-CG 3.86Å; A81-M117 HydrophobicContact CB-SD 3.43Å; A81-M117 WeakPolarHBondContact CB-SD 3.38Å; A81-M117 WeakPolarHBondContact O-CE 3.44Å |
| 82 | S | 82.6 | Confident | 86.6 | Confident | 86 Ų | 86 | 55 Ų | 55 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -57.2 | -31.4 | -177.1 | 59.3 | 0 | 0 | 0 | 0 | 114.6 | C80 F84 R85 | C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.42Å; S82-F84 VanDerWaalsContact C-N 3.27Å; S82-F84 PolarHBondContact O-N 3.42Å; S82-R85 PolarHBondContact O-N 2.85Å |
| 83 | A | 87.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -71.2 | -21 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N58 F59 I62 C80 A81 R85 E86 | N58-A83 HydrophobicContact CB-CB 3.93Å; F59-A83 HydrophobicContact CB-CB 4.33Å; F59-A83 WeakPolarHBondContact CD2-O 3.07Å; I62-A83 HydrophobicContact CD1-CB 3.65Å; C80-A83 HydrophobicContact CB-CB 4.33Å; C80-A83 WeakPolarHBondContact O-CB 3.02Å; C80-A83 PolarHBondContact O-N 2.98Å; A81-A83 PolarHBondContact O-N 3.36Å; A81-A83 VanDerWaalsContact O-N 3.1Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 3.29Å; A83-E86 WeakPolarHBondContact CA-OE1 3.37Å; A83-E86 PolarHBondContact O-N 2.96Å |
| 84 | F | 86.3 | Confident | 86.9 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -75.5 | -12.5 | 175.6 | -71.2 | -84.9 | 0 | 0 | 0 | 113.9 | I62 L74 L77 C80 A81 S82 P94 V110 A113 | I62-F84 HydrophobicContact CD1-CD2 4.18Å; I62-F84 HydrophobicContact CD1-CE1 4.22Å; I62-F84 HydrophobicContact CD1-CE2 3.78Å; I62-F84 HydrophobicContact CD1-CZ 3.81Å; I62-F84 HydrophobicContact CG1-CZ 4.34Å; I62-F84 HydrophobicContact CG2-CE1 4.12Å; L74-F84 HydrophobicContact CD1-CE1 4.44Å; L77-F84 WeakPolarHBondContact O-CE2 3.49Å; C80-F84 WeakPolarHBondContact O-CD2 3.36Å; A81-F84 PolarHBondContact O-N 3.2Å; S82-F84 VanDerWaalsContact C-N 3.27Å; S82-F84 PolarHBondContact O-N 3.42Å; F84-P94 HydrophobicContact CD1-CB 3.91Å; F84-P94 HydrophobicContact CD1-CG 4.2Å; F84-P94 HydrophobicContact CE1-CB 4.34Å; F84-V110 HydrophobicContact CD1-CG1 4.13Å; F84-V110 HydrophobicContact CE1-CG1 4.33Å; F84-V110 HydrophobicContact CE1-CG2 4.09Å; F84-A113 HydrophobicContact CD2-CB 4.23Å; F84-A113 HydrophobicContact CE1-CB 4.37Å; F84-A113 HydrophobicContact CE2-CB 3.94Å; F84-A113 HydrophobicContact CZ-CB 4.02Å |
| 85 | R | 85.5 | Confident | 87.1 | Confident | 152 Ų | 152 | 51.7 Ų | 51.7 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -95.3 | -9 | 175.1 | -67 | -176.1 | 176.1 | -177.3 | -1.8 | 113.3 | S82 A83 M117 | S82-R85 PolarHBondContact O-N 2.85Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 3.29Å; R85-M117 HydrophobicContact CG-CE 4.06Å; R85-M117 PolarHBondContact NH2-O 3.49Å |
| 86 | E | 88.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | trans | -74.9 | 152 | 177.3 | -65.7 | -179.5 | -121.5 | 0 | 0 | 110.3 | N55 S56 F59 A83 | N55-E86 VanDerWaalsContact CA-OE2 3.23Å; N55-E86 WeakPolarHBondContact CA-OE2 3.26Å; N55-E86 WeakPolarHBondContact CB-OE2 3.39Å; S56-E86 WeakPolarHBondContact CB-OE1 3.48Å; S56-E86 PolarHBondContact N-OE2 3.14Å; S56-E86 PolarHBondContact OG-OE1 2.92Å; F59-E86 HydrophobicContact CB-CB 4.08Å; F59-E86 HydrophobicContact CD2-CB 3.47Å; F59-E86 VanDerWaalsContact CD2-CB 3.47Å; F59-E86 HydrophobicContact CE2-CB 3.99Å; F59-E86 WeakPolarHBondContact CE2-O 3.48Å; F59-E86 HydrophobicContact CG-CB 3.79Å; A83-E86 WeakPolarHBondContact CA-OE1 3.37Å; A83-E86 PolarHBondContact O-N 2.96Å | ||
| 87 | S | 89.6 | Confident | 87.6 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | trans | -127.7 | 147.5 | -179 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | K52 N55 W92 | K52-S87 PolarHBondContact NZ-OG 2.94Å; N55-S87 PolarHBondContact ND2-O 3.28Å; S87-W92 VanDerWaalsContact CA-O 3.27Å; S87-W92 WeakPolarHBondContact CA-O 3.23Å | ||
| 88 | D | 88.9 | Confident | 88 | Confident | 24 Ų | 24 | 39 Ų | 39 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | trans | -74.3 | -175.3 | 173.4 | 78 | -1.7 | 0 | 0 | 0 | 112.1 | F59 R90 G91 W92 | F59-D88 HydrophobicContact CE1-CB 4.45Å; F59-D88 HydrophobicContact CZ-CB 4.15Å; D88-R90 PolarHBondContact O-N 2.69Å; D88-R90 VanDerWaalsContact O-N 3.15Å; D88-R90 VanDerWaalsContact OD1-CA 3.31Å; D88-R90 WeakPolarHBondContact OD1-CA 3.08Å; D88-R90 WeakPolarHBondContact OD1-CB 3.41Å; D88-R90 PolarHBondContact OD1-N 3.47Å; D88-R90 IonicContact OD2-CZ 2.99Å; D88-R90 IonicContact OD2-NE 2.67Å; D88-R90 PolarHBondContact OD2-NE 3.23Å; D88-R90 VanDerWaalsContact OD2-NE 3.1Å; D88-R90 IonicContact OD2-NH2 2.92Å; D88-R90 PolarHBondContact OD2-NH2 2.77Å; D88-G91 PolarHBondContact O-N 2.82Å; D88-G91 PolarHBondContact OD1-N 3.33Å; D88-G91 VanDerWaalsContact OD1-N 3.12Å; D88-W92 PolarHBondContact N-O 3.43Å; D88-W92 WeakPolarHBondContact OD1-CB 3.35Å; D88-W92 PolarHBondContact OD1-N 3.02Å | ||
| 89 | S | 87 | Confident | 88.6 | Confident | 97 Ų | 97 | 37.4 Ų | 37.4 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.5 | 177.6 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | K126 | S89-K126 WeakPolarHBondContact O-CD 3.46Å; S89-K126 WeakPolarHBondContact O-CE 3.41Å; S89-K126 PolarHBondContact O-NZ 3.16Å |
| 90 | R | 85.7 | Confident | 89.3 | Confident | 119 Ų | 119 | 33.5 Ų | 33.5 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0.2 | 175.4 | -60.2 | 173.4 | -66.1 | 168.6 | 3.1 | 112.4 | D88 W92 K126 | D88-R90 PolarHBondContact O-N 2.69Å; D88-R90 VanDerWaalsContact O-N 3.15Å; D88-R90 VanDerWaalsContact OD1-CA 3.31Å; D88-R90 WeakPolarHBondContact OD1-CA 3.08Å; D88-R90 WeakPolarHBondContact OD1-CB 3.41Å; D88-R90 PolarHBondContact OD1-N 3.47Å; D88-R90 IonicContact OD2-CZ 2.99Å; D88-R90 IonicContact OD2-NE 2.67Å; D88-R90 PolarHBondContact OD2-NE 3.23Å; D88-R90 VanDerWaalsContact OD2-NE 3.1Å; D88-R90 IonicContact OD2-NH2 2.92Å; D88-R90 PolarHBondContact OD2-NH2 2.77Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-W92 HydrophobicContact CB-CG 4.34Å; R90-K126 WeakPolarHBondContact O-CB 3.45Å; R90-K126 WeakPolarHBondContact O-CG 3.18Å; R90-K126 PolarHBondContact O-N 3.38Å |
| 91 | G | 89.8 | Confident | 89.8 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | trans | 78.1 | 16.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D88 L93 | D88-G91 PolarHBondContact O-N 2.82Å; D88-G91 PolarHBondContact OD1-N 3.33Å; D88-G91 VanDerWaalsContact OD1-N 3.12Å; G91-L93 PolarHBondContact O-N 2.89Å | ||
| 92 | W | 92.9 | Very high | 90.3 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | trans | -80.2 | 122.6 | 178.5 | -73.1 | 34.3 | 0 | 0 | 0 | 110.5 | S87 D88 R90 H96 A97 A100 T125 L134 | S87-W92 VanDerWaalsContact CA-O 3.27Å; S87-W92 WeakPolarHBondContact CA-O 3.23Å; D88-W92 PolarHBondContact N-O 3.43Å; D88-W92 WeakPolarHBondContact OD1-CB 3.35Å; D88-W92 PolarHBondContact OD1-N 3.02Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-W92 HydrophobicContact CB-CG 4.34Å; W92-H96 HydrophobicContact CB-CB 4.14Å; W92-H96 HydrophobicContact CD2-CB 4.28Å; W92-H96 HydrophobicContact CE3-CB 4.37Å; W92-H96 HydrophobicContact CG-CB 4.21Å; W92-A97 HydrophobicContact CE3-CB 4.09Å; W92-A100 HydrophobicContact CH2-CB 4.44Å; W92-T125 HydrophobicContact CG-CG2 4.29Å; W92-L134 HydrophobicContact CH2-CD1 4.49Å; W92-L134 HydrophobicContact CH2-CD2 4.5Å; W92-L134 HydrophobicContact CZ2-CD1 4.24Å; W92-L134 HydrophobicContact CZ2-CD2 4.03Å | ||
| 93 | L | 93.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | trans | -80.1 | 164.2 | 165.2 | -68.4 | 90.1 | 0 | 0 | 0 | 109.3 | G91 L95 H96 A97 E123 | G91-L93 PolarHBondContact O-N 2.89Å; L93-L95 PolarHBondContact O-N 3.16Å; L93-L95 VanDerWaalsContact O-N 3.13Å; L93-H96 WeakPolarHBondContact CD1-CE1 3.47Å; L93-H96 WeakPolarHBondContact CD1-ND1 3.09Å; L93-H96 PolarHBondContact N-ND1 3.25Å; L93-H96 WeakPolarHBondContact O-CB 3.33Å; L93-H96 PolarHBondContact O-N 3.25Å; L93-A97 PolarHBondContact O-N 2.88Å; L93-A97 VanDerWaalsContact O-N 3.15Å; L93-E123 HydrophobicContact CD1-CB 3.87Å; L93-E123 HydrophobicContact CD2-CB 4.27Å; L93-E123 HydrophobicContact CD2-CG 4.11Å | ||
| 94 | P | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.3 | -33.8 | 171.1 | -30.5 | 41.3 | 0 | 0 | 0 | 112.6 | F59 I62 M63 I66 F84 A97 V98 | F59-P94 HydrophobicContact CD2-CG 4.17Å; F59-P94 HydrophobicContact CE2-CG 4.05Å; I62-P94 HydrophobicContact CG2-CB 3.74Å; I62-P94 HydrophobicContact CG2-CG 3.77Å; M63-P94 HydrophobicContact SD-CB 4.38Å; M63-P94 HydrophobicContact SD-CG 4.1Å; I66-P94 HydrophobicContact CD1-CB 3.73Å; F84-P94 HydrophobicContact CD1-CB 3.91Å; F84-P94 HydrophobicContact CD1-CG 4.2Å; F84-P94 HydrophobicContact CE1-CB 4.34Å; P94-A97 PolarHBondContact O-N 3.37Å; P94-V98 WeakPolarHBondContact O-CG2 3.48Å; P94-V98 PolarHBondContact O-N 3.42Å |
| 95 | L | 94.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 173.6 | -177.7 | 65 | 0 | 0 | 0 | 112.7 | L93 A97 V98 A99 L107 V110 L111 M114 L121 A131 L147 | L93-L95 PolarHBondContact O-N 3.16Å; L93-L95 VanDerWaalsContact O-N 3.13Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.18Å; L95-V98 HydrophobicContact CD1-CG2 4.49Å; L95-V98 VanDerWaalsContact O-CG2 3.28Å; L95-V98 WeakPolarHBondContact O-CG2 3.49Å; L95-V98 PolarHBondContact O-N 2.73Å; L95-A99 VanDerWaalsContact O-CB 3.25Å; L95-A99 WeakPolarHBondContact O-CB 3.34Å; L95-A99 PolarHBondContact O-N 3.44Å; L95-L107 HydrophobicContact CD1-CD1 3.69Å; L95-V110 HydrophobicContact CB-CG1 4.21Å; L95-V110 HydrophobicContact CD1-CG1 4.19Å; L95-L111 HydrophobicContact CD1-CD2 3.94Å; L95-M114 HydrophobicContact CB-CE 4.45Å; L95-M114 HydrophobicContact CB-SD 3.81Å; L95-M114 HydrophobicContact CD1-SD 3.98Å; L95-M114 HydrophobicContact CD2-CE 3.76Å; L95-M114 HydrophobicContact CD2-SD 3.85Å; L95-M114 HydrophobicContact CG-SD 4.06Å; L95-L121 HydrophobicContact CD2-CD2 3.78Å; L95-A131 HydrophobicContact CD1-CB 4.39Å; L95-A131 HydrophobicContact CD2-CB 3.78Å; L95-A131 HydrophobicContact CG-CB 3.71Å; L95-L147 HydrophobicContact CD1-CD2 4.3Å |
| 96 | H | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 176.7 | -66.1 | 147 | 0 | 0 | 0 | 111.2 | W92 L93 A99 A100 E123 T125 A131 L134 | W92-H96 HydrophobicContact CB-CB 4.14Å; W92-H96 HydrophobicContact CD2-CB 4.28Å; W92-H96 HydrophobicContact CE3-CB 4.37Å; W92-H96 HydrophobicContact CG-CB 4.21Å; L93-H96 WeakPolarHBondContact CD1-CE1 3.47Å; L93-H96 WeakPolarHBondContact CD1-ND1 3.09Å; L93-H96 PolarHBondContact N-ND1 3.25Å; L93-H96 WeakPolarHBondContact O-CB 3.33Å; L93-H96 PolarHBondContact O-N 3.25Å; H96-A99 PolarHBondContact O-N 3.43Å; H96-A100 PolarHBondContact O-N 3.32Å; H96-E123 PolarHBondContact CE1-O 3.42Å; H96-E123 PolarHBondContact NE2-O 3.36Å; H96-T125 HydrophobicContact CB-CG2 4.42Å; H96-A131 PolarHBondContact CD2-N 2.98Å; H96-L134 HydrophobicContact CB-CD1 3.57Å |
| 97 | A | 93.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M63 I66 W92 L93 P94 L95 R101 | M63-A97 HydrophobicContact CE-CB 3.76Å; M63-A97 HydrophobicContact SD-CB 4.26Å; I66-A97 HydrophobicContact CD1-CB 4.47Å; I66-A97 HydrophobicContact CG2-CB 3.9Å; W92-A97 HydrophobicContact CE3-CB 4.09Å; L93-A97 PolarHBondContact O-N 2.88Å; L93-A97 VanDerWaalsContact O-N 3.15Å; P94-A97 PolarHBondContact O-N 3.37Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.18Å; A97-R101 WeakPolarHBondContact O-CG 3.23Å |
| 98 | V | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.1 | -33.1 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | I66 P94 L95 A100 R101 M106 L107 V110 N143 | I66-V98 HydrophobicContact CB-CG1 4.27Å; I66-V98 HydrophobicContact CD1-CG1 3.68Å; I66-V98 HydrophobicContact CG1-CG1 3.57Å; I66-V98 HydrophobicContact CG2-CG1 3.71Å; P94-V98 WeakPolarHBondContact O-CG2 3.48Å; P94-V98 PolarHBondContact O-N 3.42Å; L95-V98 HydrophobicContact CD1-CG2 4.49Å; L95-V98 VanDerWaalsContact O-CG2 3.28Å; L95-V98 WeakPolarHBondContact O-CG2 3.49Å; L95-V98 PolarHBondContact O-N 2.73Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.23Å; V98-R101 PolarHBondContact O-N 3.13Å; V98-R101 VanDerWaalsContact O-N 3.09Å; V98-M106 HydrophobicContact CB-CB 4.39Å; V98-M106 HydrophobicContact CG1-CB 3.94Å; V98-L107 HydrophobicContact CB-CB 4.45Å; V98-L107 HydrophobicContact CG2-CB 4.21Å; V98-L107 HydrophobicContact CG2-CD1 3.67Å; V98-V110 HydrophobicContact CB-CG2 4.42Å; V98-V110 HydrophobicContact CG1-CG2 3.76Å; V98-V110 HydrophobicContact CG2-CB 4.02Å; V98-V110 HydrophobicContact CG2-CG1 4.28Å; V98-V110 HydrophobicContact CG2-CG2 3.85Å; V98-N143 PolarHBondContact O-ND2 3.31Å |
| 99 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 H96 R101 A131 A135 N143 L147 | L95-A99 VanDerWaalsContact O-CB 3.25Å; L95-A99 WeakPolarHBondContact O-CB 3.34Å; L95-A99 PolarHBondContact O-N 3.44Å; H96-A99 PolarHBondContact O-N 3.43Å; A99-R101 VanDerWaalsContact C-N 3.26Å; A99-R101 PolarHBondContact O-N 3.47Å; A99-A131 HydrophobicContact CB-CB 3.94Å; A99-A131 VanDerWaalsContact CB-O 3.29Å; A99-A131 WeakPolarHBondContact CB-O 3.34Å; A99-A135 HydrophobicContact CB-CB 4.3Å; A99-A135 WeakPolarHBondContact O-CB 3.26Å; A99-N143 PolarHBondContact O-ND2 3.34Å; A99-L147 HydrophobicContact CB-CD1 4.12Å |
| 100 | A | 93.5 | Very high | 92 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W92 H96 V98 L134 A138 | W92-A100 HydrophobicContact CH2-CB 4.44Å; H96-A100 PolarHBondContact O-N 3.32Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.23Å; A100-L134 HydrophobicContact CB-CB 4.34Å; A100-A138 HydrophobicContact CB-CB 4.17Å; A100-A138 WeakPolarHBondContact O-CB 3.18Å |
| 101 | R | 92.1 | Very high | 92.2 | Very high | 83 Ų | 83 | 29.5 Ų | 29.5 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -113.4 | 148.2 | -172.6 | -64.5 | -70.9 | -177.9 | 97.6 | 8.3 | 112.3 | D67 A97 V98 A99 K103 M106 N143 | D67-R101 PolarHBondContact O-NH1 2.89Å; D67-R101 IonicContact OD1-CZ 3.81Å; D67-R101 IonicContact OD1-NH1 3Å; D67-R101 IonicContact OD1-NH2 3.74Å; D67-R101 PolarHBondContact OD1-NH2 3.44Å; A97-R101 WeakPolarHBondContact O-CG 3.23Å; V98-R101 PolarHBondContact O-N 3.13Å; V98-R101 VanDerWaalsContact O-N 3.09Å; A99-R101 VanDerWaalsContact C-N 3.26Å; A99-R101 PolarHBondContact O-N 3.47Å; R101-K103 VanDerWaalsContact C-N 3.28Å; R101-K103 PolarHBondContact O-N 3.47Å; R101-M106 HydrophobicContact CB-CE 4.1Å; R101-N143 PolarHBondContact O-ND2 2.97Å |
| 102 | P | 88.9 | Confident | 92 | Very high | 93 Ų | 93 | 33.7 Ų | 33.7 | 60% | 0.604 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -74 | -7.2 | -173.7 | 28.7 | -35.9 | 0 | 0 | 0 | 116.3 | T104 | P102-T104 PolarHBondContact O-N 3.17Š|
| 103 | K | 90.2 | Very high | 91.7 | Very high | 91 Ų | 91 | 32 Ų | 32 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | trans | -90.2 | 93.2 | 179.4 | -59.5 | -168.6 | -177 | -172.7 | 0 | 110.9 | G69 R101 E105 M106 | G69-K103 PolarHBondContact O-NZ 2.84Å; R101-K103 VanDerWaalsContact C-N 3.28Å; R101-K103 PolarHBondContact O-N 3.47Å; K103-E105 PolarHBondContact O-N 2.93Å; K103-M106 HydrophobicContact CB-CE 3.73Å; K103-M106 HydrophobicContact CB-CG 4.09Å; K103-M106 HydrophobicContact CD-CE 4.22Å; K103-M106 HydrophobicContact CG-CE 4.24Å; K103-M106 WeakPolarHBondContact O-CB 3.45Å; K103-M106 PolarHBondContact O-N 2.89Å; K103-M106 VanDerWaalsContact O-N 3.1Å | ||
| 104 | T | 91.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.9 | -26.4 | -179.1 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | P102 M106 L107 H108 E142 N143 L146 | P102-T104 PolarHBondContact O-N 3.17Å; T104-M106 VanDerWaalsContact C-N 3.26Å; T104-M106 PolarHBondContact O-N 3.01Å; T104-L107 PolarHBondContact O-N 2.8Å; T104-H108 PolarHBondContact O-N 2.94Å; T104-E142 HydrophobicContact CG2-CB 4.25Å; T104-E142 WeakPolarHBondContact OG1-CB 3.37Å; T104-N143 WeakPolarHBondContact CA-OD1 3.44Å; T104-N143 WeakPolarHBondContact CB-OD1 3.37Å; T104-N143 PolarHBondContact OG1-OD1 3.29Å; T104-L146 HydrophobicContact CG2-CD2 3.95Å |
| 105 | E | 92.4 | Very high | 90.6 | Very high | 120 Ų | 120 | 35.6 Ų | 35.6 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.6 | -37.6 | 175.1 | -58.2 | 93.9 | 168.2 | 0 | 0 | 111.7 | V71 K103 L107 H108 V109 | V71-E105 HydrophobicContact CG1-CB 4.23Å; V71-E105 HydrophobicContact CG2-CB 4.15Å; K103-E105 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.38Å; E105-H108 WeakPolarHBondContact O-CB 3.39Å; E105-H108 PolarHBondContact O-N 3.37Å; E105-H108 VanDerWaalsContact O-N 3.16Å; E105-V109 WeakPolarHBondContact O-CG2 3.5Å; E105-V109 PolarHBondContact O-N 3.48Å |
| 106 | M | 91.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.8 | -65.5 | -162.4 | -70 | 0 | 0 | 111.8 | G69 V71 L74 V98 R101 K103 T104 H108 V109 V110 | G69-M106 VanDerWaalsContact CA-SD 3.55Å; V71-M106 HydrophobicContact CG2-CG 3.85Å; L74-M106 HydrophobicContact CD2-CB 3.93Å; L74-M106 HydrophobicContact CD2-CG 4.2Å; V98-M106 HydrophobicContact CB-CB 4.39Å; V98-M106 HydrophobicContact CG1-CB 3.94Å; R101-M106 HydrophobicContact CB-CE 4.1Å; K103-M106 HydrophobicContact CB-CE 3.73Å; K103-M106 HydrophobicContact CB-CG 4.09Å; K103-M106 HydrophobicContact CD-CE 4.22Å; K103-M106 HydrophobicContact CG-CE 4.24Å; K103-M106 WeakPolarHBondContact O-CB 3.45Å; K103-M106 PolarHBondContact O-N 2.89Å; K103-M106 VanDerWaalsContact O-N 3.1Å; T104-M106 VanDerWaalsContact C-N 3.26Å; T104-M106 PolarHBondContact O-N 3.01Å; M106-H108 VanDerWaalsContact C-N 3.29Å; M106-H108 PolarHBondContact O-N 3.4Å; M106-V109 PolarHBondContact O-N 3.19Å; M106-V110 WeakPolarHBondContact O-CG2 3.07Å; M106-V110 PolarHBondContact O-N 2.88Å |
| 107 | L | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 176.1 | 177.6 | 62.6 | 0 | 0 | 0 | 111.1 | L95 V98 T104 E105 V109 V110 L111 N143 L146 L147 | L95-L107 HydrophobicContact CD1-CD1 3.69Å; V98-L107 HydrophobicContact CB-CB 4.45Å; V98-L107 HydrophobicContact CG2-CB 4.21Å; V98-L107 HydrophobicContact CG2-CD1 3.67Å; T104-L107 PolarHBondContact O-N 2.8Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.38Å; L107-V109 PolarHBondContact O-N 2.82Å; L107-V110 PolarHBondContact O-N 3.39Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CD2 4.49Å; L107-L111 HydrophobicContact CD1-CG 3.94Å; L107-L111 HydrophobicContact CD2-CD1 4.5Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.26Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.07Å; L107-N143 HydrophobicContact CD2-CB 3.54Å; L107-L146 HydrophobicContact CB-CD2 4.33Å; L107-L146 HydrophobicContact CD2-CB 4.19Å; L107-L146 HydrophobicContact CD2-CD2 3.89Å; L107-L146 HydrophobicContact CD2-CG 4.36Å; L107-L146 HydrophobicContact CG-CD2 3.89Å; L107-L147 HydrophobicContact CD1-CD2 4.1Å; L107-L147 HydrophobicContact CD2-CD2 4.44Å; L107-L147 HydrophobicContact CD2-CG 4.1Å |
| 108 | H | 91.5 | Very high | 87.6 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.1 | -165.5 | 69.9 | 0 | 0 | 0 | 112.3 | T104 E105 M106 V110 L111 Q112 L146 | T104-H108 PolarHBondContact O-N 2.94Å; E105-H108 WeakPolarHBondContact O-CB 3.39Å; E105-H108 PolarHBondContact O-N 3.37Å; E105-H108 VanDerWaalsContact O-N 3.16Å; M106-H108 VanDerWaalsContact C-N 3.29Å; M106-H108 PolarHBondContact O-N 3.4Å; H108-V110 PolarHBondContact O-N 3.42Å; H108-L111 PolarHBondContact O-N 3.05Å; H108-Q112 PolarHBondContact CD2-NE2 2.96Å; H108-Q112 VanDerWaalsContact CD2-NE2 3.26Å; H108-Q112 PolarHBondContact NE2-NE2 3.25Å; H108-Q112 WeakPolarHBondContact O-CB 3.48Å; H108-Q112 VanDerWaalsContact O-CG 3.31Å; H108-Q112 WeakPolarHBondContact O-CG 3.24Å; H108-Q112 PolarHBondContact O-N 3.37Å; H108-L146 HydrophobicContact CB-CD2 4.41Å |
| 109 | V | 90.2 | Very high | 86.8 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | V71 L74 Q75 E105 M106 L107 Q112 A113 | V71-V109 HydrophobicContact CG1-CG2 4.01Å; L74-V109 HydrophobicContact CD2-CB 4.31Å; L74-V109 HydrophobicContact CD2-CG1 4.41Å; L74-V109 HydrophobicContact CG-CB 4.44Å; L74-V109 HydrophobicContact CG-CG1 4Å; Q75-V109 HydrophobicContact CB-CG1 4.49Å; Q75-V109 VanDerWaalsContact OE1-CG1 3.31Å; E105-V109 WeakPolarHBondContact O-CG2 3.5Å; E105-V109 PolarHBondContact O-N 3.48Å; M106-V109 PolarHBondContact O-N 3.19Å; L107-V109 PolarHBondContact O-N 2.82Å; V109-Q112 PolarHBondContact O-N 2.92Å; V109-A113 PolarHBondContact O-N 2.88Å |
| 110 | V | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | L74 F84 L95 V98 M106 L107 H108 Q112 A113 M114 | L74-V110 HydrophobicContact CD2-CG2 4.02Å; F84-V110 HydrophobicContact CD1-CG1 4.13Å; F84-V110 HydrophobicContact CE1-CG1 4.33Å; F84-V110 HydrophobicContact CE1-CG2 4.09Å; L95-V110 HydrophobicContact CB-CG1 4.21Å; L95-V110 HydrophobicContact CD1-CG1 4.19Å; V98-V110 HydrophobicContact CB-CG2 4.42Å; V98-V110 HydrophobicContact CG1-CG2 3.76Å; V98-V110 HydrophobicContact CG2-CB 4.02Å; V98-V110 HydrophobicContact CG2-CG1 4.28Å; V98-V110 HydrophobicContact CG2-CG2 3.85Å; M106-V110 WeakPolarHBondContact O-CG2 3.07Å; M106-V110 PolarHBondContact O-N 2.88Å; L107-V110 PolarHBondContact O-N 3.39Å; H108-V110 PolarHBondContact O-N 3.42Å; V110-Q112 PolarHBondContact O-N 3.08Å; V110-A113 PolarHBondContact O-N 3.29Å; V110-M114 HydrophobicContact CG1-CG 4.27Å; V110-M114 HydrophobicContact CG1-SD 3.85Å; V110-M114 WeakPolarHBondContact O-CB 3.41Å; V110-M114 VanDerWaalsContact O-CG 3.26Å; V110-M114 WeakPolarHBondContact O-CG 3.39Å; V110-M114 PolarHBondContact O-N 3.49Å |
| 111 | L | 89.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 177.9 | -71.1 | 173 | 0 | 0 | 0 | 112.4 | L95 L107 H108 M114 A115 L121 L146 L147 | L95-L111 HydrophobicContact CD1-CD2 3.94Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CD2 4.49Å; L107-L111 HydrophobicContact CD1-CG 3.94Å; L107-L111 HydrophobicContact CD2-CD1 4.5Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.26Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.07Å; H108-L111 PolarHBondContact O-N 3.05Å; L111-M114 PolarHBondContact O-N 3.25Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3Å; L111-L121 HydrophobicContact CD2-CD2 3.51Å; L111-L146 HydrophobicContact CD1-CD2 3.92Å; L111-L146 HydrophobicContact CD1-CG 3.78Å; L111-L147 HydrophobicContact CD2-CD2 4.39Å |
| 112 | Q | 86.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 173 | -75.9 | -178.5 | -8.1 | 0 | 0 | 111.8 | H108 V109 V110 M114 A115 | H108-Q112 PolarHBondContact CD2-NE2 2.96Å; H108-Q112 VanDerWaalsContact CD2-NE2 3.26Å; H108-Q112 PolarHBondContact NE2-NE2 3.25Å; H108-Q112 WeakPolarHBondContact O-CB 3.48Å; H108-Q112 VanDerWaalsContact O-CG 3.31Å; H108-Q112 WeakPolarHBondContact O-CG 3.24Å; H108-Q112 PolarHBondContact O-N 3.37Å; V109-Q112 PolarHBondContact O-N 2.92Å; V110-Q112 PolarHBondContact O-N 3.08Å; Q112-M114 VanDerWaalsContact C-N 3.33Å; Q112-M114 PolarHBondContact O-N 3.16Å; Q112-A115 PolarHBondContact O-N 3.18Å |
| 113 | A | 84.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | F84 V109 V110 S116 | F84-A113 HydrophobicContact CD2-CB 4.23Å; F84-A113 HydrophobicContact CE1-CB 4.37Å; F84-A113 HydrophobicContact CE2-CB 3.94Å; F84-A113 HydrophobicContact CZ-CB 4.02Å; V109-A113 PolarHBondContact O-N 2.88Å; V110-A113 PolarHBondContact O-N 3.29Å; A113-S116 PolarHBondContact O-N 3.14Å; A113-S116 PolarHBondContact O-OG 2.93Å |
| 114 | M | 82.9 | Confident | 86.8 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69 | -34.2 | 179 | -71.5 | -178.5 | 72.7 | 0 | 0 | 114 | L95 V110 L111 Q112 S116 M117 A119 L121 | L95-M114 HydrophobicContact CB-CE 4.45Å; L95-M114 HydrophobicContact CB-SD 3.81Å; L95-M114 HydrophobicContact CD1-SD 3.98Å; L95-M114 HydrophobicContact CD2-CE 3.76Å; L95-M114 HydrophobicContact CD2-SD 3.85Å; L95-M114 HydrophobicContact CG-SD 4.06Å; V110-M114 HydrophobicContact CG1-CG 4.27Å; V110-M114 HydrophobicContact CG1-SD 3.85Å; V110-M114 WeakPolarHBondContact O-CB 3.41Å; V110-M114 VanDerWaalsContact O-CG 3.26Å; V110-M114 WeakPolarHBondContact O-CG 3.39Å; V110-M114 PolarHBondContact O-N 3.49Å; L111-M114 PolarHBondContact O-N 3.25Å; Q112-M114 VanDerWaalsContact C-N 3.33Å; Q112-M114 PolarHBondContact O-N 3.16Å; M114-S116 PolarHBondContact O-N 3.25Å; M114-M117 WeakPolarHBondContact O-CB 3.41Å; M114-M117 PolarHBondContact O-N 2.76Å; M114-A119 HydrophobicContact CB-CB 4.2Å; M114-A119 HydrophobicContact CE-CB 3.65Å; M114-A119 HydrophobicContact CG-CB 4.42Å; M114-L121 HydrophobicContact CE-CD2 4.39Å |
| 115 | A | 80.5 | Confident | 86.9 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 66% | 0.661 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.5 | -28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L111 Q112 M117 | L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3Å; Q112-A115 PolarHBondContact O-N 3.18Å; A115-M117 PolarHBondContact O-N 3.03Å |
| 116 | S | 76.3 | Confident | 86.9 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.1 | 174.9 | 75.7 | 0 | 0 | 0 | 0 | 114.2 | A113 M114 | A113-S116 PolarHBondContact O-N 3.14Å; A113-S116 PolarHBondContact O-OG 2.93Å; M114-S116 PolarHBondContact O-N 3.25Å |
| 117 | M | 72.8 | Confident | 86.8 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 6.9 | -165.1 | -65.8 | -176.2 | 70.5 | 0 | 0 | 115.5 | A81 R85 M114 A115 A119 | A81-M117 WeakPolarHBondContact CA-SD 3.15Å; A81-M117 HydrophobicContact CB-CE 3.61Å; A81-M117 HydrophobicContact CB-CG 3.86Å; A81-M117 HydrophobicContact CB-SD 3.43Å; A81-M117 WeakPolarHBondContact CB-SD 3.38Å; A81-M117 WeakPolarHBondContact O-CE 3.44Å; R85-M117 HydrophobicContact CG-CE 4.06Å; R85-M117 PolarHBondContact NH2-O 3.49Å; M114-M117 WeakPolarHBondContact O-CB 3.41Å; M114-M117 PolarHBondContact O-N 2.76Å; A115-M117 PolarHBondContact O-N 3.03Å; M117-A119 HydrophobicContact CB-CB 4.44Å; M117-A119 PolarHBondContact O-N 3.35Å |
| 118 | D | 70.3 | Confident | 86.8 | Confident | 161 Ų | 161 | 56.8 Ų | 56.8 | 86% | 0.861 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 43 | -174.5 | -160.4 | 28.3 | 0 | 0 | 0 | 112.3 | ||
| 119 | A | 79.1 | Confident | 87 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | trans | -92.6 | 136.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | M114 M117 | M114-A119 HydrophobicContact CB-CB 4.2Å; M114-A119 HydrophobicContact CE-CB 3.65Å; M114-A119 HydrophobicContact CG-CB 4.42Å; M117-A119 HydrophobicContact CB-CB 4.44Å; M117-A119 PolarHBondContact O-N 3.35Å | ||
| 120 | T | 88.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | trans | -77.4 | 145.8 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | E122 E123 | T120-E122 PolarHBondContact OG1-N 2.86Å; T120-E122 VanDerWaalsContact OG1-N 3.16Å; T120-E123 HydrophobicContact CG2-CG 3.78Å; T120-E123 VanDerWaalsContact CG2-OE1 3.25Å; T120-E123 WeakPolarHBondContact CG2-OE1 3.1Å | ||
| 121 | L | 90.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.1 | 171.9 | -58.5 | -178.7 | 0 | 0 | 0 | 112.5 | L95 L111 M114 H150 A152 | L95-L121 HydrophobicContact CD2-CD2 3.78Å; L111-L121 HydrophobicContact CD2-CD2 3.51Å; M114-L121 HydrophobicContact CE-CD2 4.39Å; L121-H150 HydrophobicContact CD1-CB 3.93Å; L121-H150 WeakPolarHBondContact CD1-O 3.41Å; L121-A152 HydrophobicContact CB-CB 4.31Å; L121-A152 HydrophobicContact CD1-CB 3.97Å |
| 122 | E | 93.9 | Very high | 88 | Confident | 42 Ų | 42 | 53 Ų | 53 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 15.2 | -172.2 | -48 | -51.2 | 156.2 | 0 | 0 | 113.5 | T120 A152 S153 N156 | T120-E122 PolarHBondContact OG1-N 2.86Å; T120-E122 VanDerWaalsContact OG1-N 3.16Å; E122-A152 VanDerWaalsContact OE1-CA 3.31Å; E122-A152 WeakPolarHBondContact OE1-CA 3.35Å; E122-S153 PolarHBondContact OE1-N 2.95Å; E122-N156 WeakPolarHBondContact CG-ND2 3.29Å; E122-N156 PolarHBondContact OE2-ND2 2.95Å |
| 123 | E | 92.3 | Very high | 88.4 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | trans | -57.6 | 146.3 | 167.8 | -69.6 | -61.5 | 156.8 | 0 | 0 | 109.8 | L93 H96 T120 | L93-E123 HydrophobicContact CD1-CB 3.87Å; L93-E123 HydrophobicContact CD2-CB 4.27Å; L93-E123 HydrophobicContact CD2-CG 4.11Å; H96-E123 PolarHBondContact CE1-O 3.42Å; H96-E123 PolarHBondContact NE2-O 3.36Å; T120-E123 HydrophobicContact CG2-CG 3.78Å; T120-E123 VanDerWaalsContact CG2-OE1 3.25Å; T120-E123 WeakPolarHBondContact CG2-OE1 3.1Å | ||
| 124 | R | 94.3 | Very high | 89 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 43% | 0.434 | 27% | 0.266 | S | S | . | . | trans | -118.2 | 140.7 | -173.1 | -64.3 | -177.7 | -179.4 | -129 | 0.3 | 111.8 | D129 T130 T157 | R124-D129 CarbonylContact C-O 3.42Å; R124-D129 VanDerWaalsContact CA-O 3.28Å; R124-D129 WeakPolarHBondContact CA-O 3.3Å; R124-T130 HydrophobicContact CG-CG2 4.38Å; R124-T157 PolarHBondContact NH1-O 2.98Å | ||
| 125 | T | 94.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | trans | -68.8 | 176.4 | 167.3 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | W92 H96 D127 G128 D129 L134 | W92-T125 HydrophobicContact CG-CG2 4.29Å; H96-T125 HydrophobicContact CB-CG2 4.42Å; T125-D127 PolarHBondContact O-N 2.87Å; T125-D127 PolarHBondContact OG1-N 3.39Å; T125-G128 PolarHBondContact O-N 3.32Å; T125-G128 PolarHBondContact OG1-N 3.49Å; T125-D129 HydrophobicContact CG2-CB 4.1Å; T125-D129 PolarHBondContact N-O 2.99Å; T125-D129 WeakPolarHBondContact OG1-CB 3.42Å; T125-D129 PolarHBondContact OG1-N 2.93Å; T125-D129 VanDerWaalsContact OG1-N 3.14Å; T125-L134 HydrophobicContact CG2-CD1 4.1Å | ||
| 126 | K | 91.8 | Very high | 90.5 | Very high | 142 Ų | 142 | 44.2 Ų | 44.2 | 62% | 0.617 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -30 | 171 | -74 | -175.8 | 174.1 | -177.6 | 0 | 112.9 | S89 R90 G128 | S89-K126 WeakPolarHBondContact O-CD 3.46Å; S89-K126 WeakPolarHBondContact O-CE 3.41Å; S89-K126 PolarHBondContact O-NZ 3.16Å; R90-K126 WeakPolarHBondContact O-CB 3.45Å; R90-K126 WeakPolarHBondContact O-CG 3.18Å; R90-K126 PolarHBondContact O-N 3.38Å; K126-G128 PolarHBondContact O-N 3.43Å |
| 127 | D | 89.3 | Confident | 91.4 | Very high | 101 Ų | 101 | 43.2 Ų | 43.2 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 6 | 177 | -56.8 | -49.4 | 0 | 0 | 0 | 112.2 | T125 D129 S159 | T125-D127 PolarHBondContact O-N 2.87Å; T125-D127 PolarHBondContact OG1-N 3.39Å; D127-D129 PolarHBondContact O-N 3.32Å; D127-S159 WeakPolarHBondContact O-CB 3.35Å; D127-S159 PolarHBondContact O-N 3.26Å; D127-S159 PolarHBondContact O-OG 2.98Å |
| 128 | G | 93.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | trans | 80.8 | -0.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | T125 K126 N158 S159 | T125-G128 PolarHBondContact O-N 3.32Å; T125-G128 PolarHBondContact OG1-N 3.49Å; K126-G128 PolarHBondContact O-N 3.43Å; G128-N158 WeakPolarHBondContact O-CA 3.37Å; G128-S159 WeakPolarHBondContact CA-OG 3.35Å; G128-S159 PolarHBondContact N-OG 3.34Å | ||
| 129 | D | 95.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | trans | -66.9 | 140.6 | -178.4 | -71 | -66.2 | 0 | 0 | 0 | 112.7 | R124 T125 D127 T133 L134 N158 | R124-D129 CarbonylContact C-O 3.42Å; R124-D129 VanDerWaalsContact CA-O 3.28Å; R124-D129 WeakPolarHBondContact CA-O 3.3Å; T125-D129 HydrophobicContact CG2-CB 4.1Å; T125-D129 PolarHBondContact N-O 2.99Å; T125-D129 WeakPolarHBondContact OG1-CB 3.42Å; T125-D129 PolarHBondContact OG1-N 2.93Å; T125-D129 VanDerWaalsContact OG1-N 3.14Å; D127-D129 PolarHBondContact O-N 3.32Å; D129-T133 VanDerWaalsContact CA-OG1 3.28Å; D129-T133 WeakPolarHBondContact CA-OG1 3.36Å; D129-T133 VanDerWaalsContact CB-OG1 3.24Å; D129-T133 WeakPolarHBondContact CB-OG1 3.34Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å; D129-L134 HydrophobicContact CB-CD1 4.43Å; D129-L134 HydrophobicContact CB-CD2 3.88Å; D129-L134 HydrophobicContact CB-CG 3.87Å; D129-N158 WeakPolarHBondContact OD1-CB 3.4Å; D129-N158 PolarHBondContact OD1-ND2 3.22Å | ||
| 130 | T | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -94.1 | 171 | 168 | 66 | 0 | 0 | 0 | 0 | 110.1 | R124 L132 T133 L134 N156 | R124-T130 HydrophobicContact CG-CG2 4.38Å; T130-L132 PolarHBondContact O-N 3.23Å; T130-L132 PolarHBondContact OG1-N 3.16Å; T130-T133 PolarHBondContact N-OG1 2.85Å; T130-T133 PolarHBondContact O-N 2.89Å; T130-T133 PolarHBondContact O-OG1 3.12Å; T130-T133 VanDerWaalsContact O-OG1 3.04Å; T130-T133 PolarHBondContact OG1-N 3.49Å; T130-L134 WeakPolarHBondContact O-CG 3.3Å; T130-L134 PolarHBondContact O-N 2.98Å; T130-L134 VanDerWaalsContact O-N 3.12Å; T130-N156 HydrophobicContact CG2-CB 3.9Å | ||
| 131 | A | 96 | Very high | 95 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -36 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 H96 A99 A135 L147 | L95-A131 HydrophobicContact CD1-CB 4.39Å; L95-A131 HydrophobicContact CD2-CB 3.78Å; L95-A131 HydrophobicContact CG-CB 3.71Å; H96-A131 PolarHBondContact CD2-N 2.98Å; A99-A131 HydrophobicContact CB-CB 3.94Å; A99-A131 VanDerWaalsContact CB-O 3.29Å; A99-A131 WeakPolarHBondContact CB-O 3.34Å; A131-A135 WeakPolarHBondContact O-CB 3.37Å; A131-A135 PolarHBondContact O-N 3.32Å; A131-L147 HydrophobicContact CB-CD1 4.18Å; A131-L147 HydrophobicContact CB-CD2 4.16Å |
| 132 | L | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.1 | -38.2 | -179.4 | -172.5 | 61.8 | 0 | 0 | 0 | 112.6 | T130 A135 A136 I144 L147 L148 A152 S153 P154 P164 L180 | T130-L132 PolarHBondContact O-N 3.23Å; T130-L132 PolarHBondContact OG1-N 3.16Å; L132-A135 PolarHBondContact O-N 3.46Å; L132-A136 WeakPolarHBondContact O-CB 3.16Å; L132-A136 PolarHBondContact O-N 2.8Å; L132-I144 HydrophobicContact CD1-CB 4.37Å; L132-I144 HydrophobicContact CD1-CG1 4.42Å; L132-I144 HydrophobicContact CD1-CG2 4.06Å; L132-L147 HydrophobicContact CB-CD1 4.43Å; L132-L147 HydrophobicContact CD1-CB 4.07Å; L132-L147 HydrophobicContact CD1-CD1 4.22Å; L132-L148 HydrophobicContact CD1-CD2 4.48Å; L132-L148 HydrophobicContact CD1-CG 4.32Å; L132-L148 HydrophobicContact CD2-CD2 3.82Å; L132-A152 HydrophobicContact CB-CB 4.4Å; L132-A152 HydrophobicContact CD2-CB 4.23Å; L132-S153 WeakPolarHBondContact CD2-O 3.45Å; L132-P154 HydrophobicContact CD2-CB 4.38Å; L132-P164 HydrophobicContact CB-CG 4.41Å; L132-P164 HydrophobicContact CD2-CB 4.34Å; L132-P164 HydrophobicContact CD2-CG 4.02Å; L132-P164 HydrophobicContact CG-CB 4.01Å; L132-P164 HydrophobicContact CG-CG 3.92Å; L132-L180 HydrophobicContact CD1-CD2 4.15Å; L132-L180 HydrophobicContact CD2-CD2 4.2Å; L132-L180 HydrophobicContact CG-CD2 4.3Å |
| 133 | T | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.8 | 61 | 0 | 0 | 0 | 0 | 111 | D129 T130 A136 E137 N156 P164 L167 | D129-T133 VanDerWaalsContact CA-OG1 3.28Å; D129-T133 WeakPolarHBondContact CA-OG1 3.36Å; D129-T133 VanDerWaalsContact CB-OG1 3.24Å; D129-T133 WeakPolarHBondContact CB-OG1 3.34Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å; T130-T133 PolarHBondContact N-OG1 2.85Å; T130-T133 PolarHBondContact O-N 2.89Å; T130-T133 PolarHBondContact O-OG1 3.12Å; T130-T133 VanDerWaalsContact O-OG1 3.04Å; T130-T133 PolarHBondContact OG1-N 3.49Å; T133-A136 PolarHBondContact O-N 2.98Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.3Å; T133-N156 WeakPolarHBondContact CG2-O 3.34Å; T133-P164 HydrophobicContact CG2-CG 3.75Å; T133-L167 HydrophobicContact CG2-CD1 4.25Å; T133-L167 WeakPolarHBondContact O-CD1 3.5Å |
| 134 | L | 96.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -40 | 176.1 | -66.5 | 173.8 | 0 | 0 | 0 | 112.9 | W92 H96 A100 T125 D129 T130 A136 E137 A138 | W92-L134 HydrophobicContact CH2-CD1 4.49Å; W92-L134 HydrophobicContact CH2-CD2 4.5Å; W92-L134 HydrophobicContact CZ2-CD1 4.24Å; W92-L134 HydrophobicContact CZ2-CD2 4.03Å; H96-L134 HydrophobicContact CB-CD1 3.57Å; A100-L134 HydrophobicContact CB-CB 4.34Å; T125-L134 HydrophobicContact CG2-CD1 4.1Å; D129-L134 HydrophobicContact CB-CD1 4.43Å; D129-L134 HydrophobicContact CB-CD2 3.88Å; D129-L134 HydrophobicContact CB-CG 3.87Å; T130-L134 WeakPolarHBondContact O-CG 3.3Å; T130-L134 PolarHBondContact O-N 2.98Å; T130-L134 VanDerWaalsContact O-N 3.12Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-E137 PolarHBondContact O-N 3.26Å; L134-A138 VanDerWaalsContact O-CB 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.17Å; L134-A138 PolarHBondContact O-N 3.26Å |
| 135 | A | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A99 A131 L132 N139 Q140 N143 I144 L147 | A99-A135 HydrophobicContact CB-CB 4.3Å; A99-A135 WeakPolarHBondContact O-CB 3.26Å; A131-A135 WeakPolarHBondContact O-CB 3.37Å; A131-A135 PolarHBondContact O-N 3.32Å; L132-A135 PolarHBondContact O-N 3.46Å; A135-N139 PolarHBondContact O-N 3.28Å; A135-Q140 PolarHBondContact O-N 3.39Å; A135-N143 HydrophobicContact CB-CB 4.31Å; A135-I144 HydrophobicContact CB-CG1 3.84Å; A135-L147 HydrophobicContact CB-CD1 3.9Å |
| 136 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.4 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L132 T133 L134 A138 N139 I144 P164 L167 A168 L180 | L132-A136 WeakPolarHBondContact O-CB 3.16Å; L132-A136 PolarHBondContact O-N 2.8Å; T133-A136 PolarHBondContact O-N 2.98Å; L134-A136 VanDerWaalsContact C-N 3.33Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 2.83Å; A136-N139 PolarHBondContact O-N 3.43Å; A136-N139 VanDerWaalsContact O-N 3.08Å; A136-I144 HydrophobicContact CB-CD1 4.29Å; A136-P164 HydrophobicContact CB-CB 4.02Å; A136-P164 VanDerWaalsContact CB-O 3.3Å; A136-P164 WeakPolarHBondContact CB-O 3.42Å; A136-L167 HydrophobicContact CB-CB 4.12Å; A136-A168 HydrophobicContact CB-CB 4.44Å; A136-L180 HydrophobicContact CB-CD1 4.38Å |
| 137 | E | 96.1 | Very high | 96.1 | Very high | 75 Ų | 75 | 25.8 Ų | 25.8 | 35% | 0.35 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.4 | -173.9 | 171.8 | -153.2 | 0 | 0 | 112.2 | T133 L134 N139 L167 Q171 | T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.3Å; L134-E137 PolarHBondContact O-N 3.26Å; E137-N139 PolarHBondContact O-N 3.05Å; E137-L167 HydrophobicContact CB-CD1 4.37Å; E137-Q171 VanDerWaalsContact O-CD 3.31Å; E137-Q171 WeakPolarHBondContact O-CG 3.49Å; E137-Q171 PolarHBondContact O-NE2 3.1Å; E137-Q171 VanDerWaalsContact O-NE2 3.09Å |
| 138 | A | 96 | Very high | 96.4 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 31% | 0.306 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A100 L134 A136 Q140 | A100-A138 HydrophobicContact CB-CB 4.17Å; A100-A138 WeakPolarHBondContact O-CB 3.18Å; L134-A138 VanDerWaalsContact O-CB 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.17Å; L134-A138 PolarHBondContact O-N 3.26Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 2.83Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 HydrophobicContact CB-CG 3.9Å; A138-Q140 PolarHBondContact O-N 2.86Å; A138-Q140 PolarHBondContact O-NE2 3.2Å |
| 139 | N | 96.1 | Very high | 96.5 | Very high | 58 Ų | 58 | 31.7 Ų | 31.7 | 31% | 0.31 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44.1 | -176.8 | -169.3 | 28.5 | 0 | 0 | 0 | 114.6 | A135 A136 E137 V141 Q171 S173 S176 | A135-N139 PolarHBondContact O-N 3.28Å; A136-N139 PolarHBondContact O-N 3.43Å; A136-N139 VanDerWaalsContact O-N 3.08Å; E137-N139 PolarHBondContact O-N 3.05Å; N139-V141 PolarHBondContact O-N 2.75Å; N139-Q171 HydrophobicContact CB-CB 4.19Å; N139-Q171 HydrophobicContact CB-CG 4.31Å; N139-S173 WeakPolarHBondContact OD1-CB 3.29Å; N139-S173 PolarHBondContact OD1-OG 3.39Å; N139-S176 PolarHBondContact OD1-OG 3.02Å |
| 140 | Q | 96.7 | Very high | 96.3 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | trans | -92.7 | 76.5 | 179.6 | -56.7 | -53.8 | -30.8 | 0 | 0 | 111 | A135 A138 E142 N143 I144 | A135-Q140 PolarHBondContact O-N 3.39Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 HydrophobicContact CB-CG 3.9Å; A138-Q140 PolarHBondContact O-N 2.86Å; A138-Q140 PolarHBondContact O-NE2 3.2Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-E142 PolarHBondContact O-N 2.88Å; Q140-N143 HydrophobicContact CB-CB 3.81Å; Q140-N143 WeakPolarHBondContact O-CA 3.42Å; Q140-N143 WeakPolarHBondContact O-CB 3.39Å; Q140-N143 PolarHBondContact O-N 3.01Å; Q140-I144 WeakPolarHBondContact O-CG1 3.35Å; Q140-I144 PolarHBondContact O-N 3.04Å | ||
| 141 | V | 96.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 15% | 0.152 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -48.9 | -48.1 | -174 | 179.8 | 0 | 0 | 0 | 0 | 113 | N139 N143 I144 K145 D175 S176 | N139-V141 PolarHBondContact O-N 2.75Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.42Å; V141-I144 WeakPolarHBondContact O-CB 3.44Å; V141-I144 PolarHBondContact O-N 3Å; V141-K145 HydrophobicContact CG1-CD 4.36Å; V141-K145 WeakPolarHBondContact O-CG 3.42Å; V141-K145 PolarHBondContact O-N 3.17Å; V141-D175 HydrophobicContact CG1-CB 3.84Å; V141-D175 HydrophobicContact CG2-CB 3.98Å; V141-S176 VanDerWaalsContact CG2-OG 3.29Å; V141-S176 WeakPolarHBondContact CG2-OG 3.45Å |
| 142 | E | 96.6 | Very high | 96.1 | Very high | 95 Ų | 95 | 38.7 Ų | 38.7 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.8 | -33.2 | -178.2 | -65.2 | -52.2 | 123.5 | 0 | 0 | 112.3 | T104 Q140 K145 L146 | T104-E142 HydrophobicContact CG2-CB 4.25Å; T104-E142 WeakPolarHBondContact OG1-CB 3.37Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-E142 PolarHBondContact O-N 2.88Å; E142-K145 PolarHBondContact O-N 2.93Å; E142-K145 IonicContact OE1-NZ 3.75Å; E142-K145 PolarHBondContact OE1-NZ 3.13Å; E142-L146 WeakPolarHBondContact O-CB 3.4Å; E142-L146 PolarHBondContact O-N 2.88Å |
| 143 | N | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.8 | -39.8 | 174 | -68.4 | 0.3 | 0 | 0 | 0 | 111.5 | V98 A99 R101 T104 L107 A135 Q140 V141 L146 L147 | V98-N143 PolarHBondContact O-ND2 3.31Å; A99-N143 PolarHBondContact O-ND2 3.34Å; R101-N143 PolarHBondContact O-ND2 2.97Å; T104-N143 WeakPolarHBondContact CA-OD1 3.44Å; T104-N143 WeakPolarHBondContact CB-OD1 3.37Å; T104-N143 PolarHBondContact OG1-OD1 3.29Å; L107-N143 HydrophobicContact CD2-CB 3.54Å; A135-N143 HydrophobicContact CB-CB 4.31Å; Q140-N143 HydrophobicContact CB-CB 3.81Å; Q140-N143 WeakPolarHBondContact O-CA 3.42Å; Q140-N143 WeakPolarHBondContact O-CB 3.39Å; Q140-N143 PolarHBondContact O-N 3.01Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.42Å; N143-L146 PolarHBondContact O-N 3.11Å; N143-L147 WeakPolarHBondContact O-CB 3.43Å; N143-L147 VanDerWaalsContact O-CG 3.26Å; N143-L147 WeakPolarHBondContact O-CG 3.22Å; N143-L147 PolarHBondContact O-N 3.25Å |
| 144 | I | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -51.3 | 173.4 | -67.1 | 166.4 | 0 | 0 | 0 | 109.7 | L132 A135 A136 Q140 V141 L146 L147 L148 S176 L180 | L132-I144 HydrophobicContact CD1-CB 4.37Å; L132-I144 HydrophobicContact CD1-CG1 4.42Å; L132-I144 HydrophobicContact CD1-CG2 4.06Å; A135-I144 HydrophobicContact CB-CG1 3.84Å; A136-I144 HydrophobicContact CB-CD1 4.29Å; Q140-I144 WeakPolarHBondContact O-CG1 3.35Å; Q140-I144 PolarHBondContact O-N 3.04Å; V141-I144 WeakPolarHBondContact O-CB 3.44Å; V141-I144 PolarHBondContact O-N 3Å; I144-L146 VanDerWaalsContact C-N 3.29Å; I144-L146 PolarHBondContact O-N 2.88Å; I144-L147 PolarHBondContact O-N 3.01Å; I144-L148 HydrophobicContact CG2-CD1 3.83Å; I144-L148 HydrophobicContact CG2-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.4Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.42Å; I144-L148 PolarHBondContact O-N 3.04Å; I144-S176 WeakPolarHBondContact CD1-OG 3.47Å; I144-L180 HydrophobicContact CG2-CD2 3.81Å; I144-L180 HydrophobicContact CG2-CG 3.8Å |
| 145 | K | 97 | Very high | 95.9 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 177.2 | -70.8 | 171.1 | -174 | 165.4 | 0 | 111.8 | V141 E142 R149 S179 | V141-K145 HydrophobicContact CG1-CD 4.36Å; V141-K145 WeakPolarHBondContact O-CG 3.42Å; V141-K145 PolarHBondContact O-N 3.17Å; E142-K145 PolarHBondContact O-N 2.93Å; E142-K145 IonicContact OE1-NZ 3.75Å; E142-K145 PolarHBondContact OE1-NZ 3.13Å; K145-R149 VanDerWaalsContact O-CG 3.26Å; K145-R149 WeakPolarHBondContact O-CG 3.5Å; K145-R149 PolarHBondContact O-N 3.12Å; K145-R149 VanDerWaalsContact O-N 3.09Å; K145-S179 VanDerWaalsContact CE-OG 3.27Å; K145-S179 WeakPolarHBondContact CE-OG 3.47Å |
| 146 | L | 95.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -47.4 | -179.3 | -171.6 | 59.8 | 0 | 0 | 0 | 111.4 | T104 L107 H108 L111 E142 N143 I144 L148 R149 H150 | T104-L146 HydrophobicContact CG2-CD2 3.95Å; L107-L146 HydrophobicContact CB-CD2 4.33Å; L107-L146 HydrophobicContact CD2-CB 4.19Å; L107-L146 HydrophobicContact CD2-CD2 3.89Å; L107-L146 HydrophobicContact CD2-CG 4.36Å; L107-L146 HydrophobicContact CG-CD2 3.89Å; H108-L146 HydrophobicContact CB-CD2 4.41Å; L111-L146 HydrophobicContact CD1-CD2 3.92Å; L111-L146 HydrophobicContact CD1-CG 3.78Å; E142-L146 WeakPolarHBondContact O-CB 3.4Å; E142-L146 PolarHBondContact O-N 2.88Å; N143-L146 PolarHBondContact O-N 3.11Å; I144-L146 VanDerWaalsContact C-N 3.29Å; I144-L146 PolarHBondContact O-N 2.88Å; L146-L148 PolarHBondContact O-N 3.42Å; L146-R149 PolarHBondContact O-N 3.26Å; L146-H150 PolarHBondContact O-CD2 3.38Å; L146-H150 VanDerWaalsContact O-CD2 3.27Å; L146-H150 PolarHBondContact O-N 3.44Å; L146-H150 VanDerWaalsContact O-N 3.1Å |
| 147 | L | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 177.5 | -72.4 | 168.5 | 0 | 0 | 0 | 111.8 | L95 A99 L107 L111 A131 L132 A135 N143 I144 R149 H150 G151 A152 | L95-L147 HydrophobicContact CD1-CD2 4.3Å; A99-L147 HydrophobicContact CB-CD1 4.12Å; L107-L147 HydrophobicContact CD1-CD2 4.1Å; L107-L147 HydrophobicContact CD2-CD2 4.44Å; L107-L147 HydrophobicContact CD2-CG 4.1Å; L111-L147 HydrophobicContact CD2-CD2 4.39Å; A131-L147 HydrophobicContact CB-CD1 4.18Å; A131-L147 HydrophobicContact CB-CD2 4.16Å; L132-L147 HydrophobicContact CB-CD1 4.43Å; L132-L147 HydrophobicContact CD1-CB 4.07Å; L132-L147 HydrophobicContact CD1-CD1 4.22Å; A135-L147 HydrophobicContact CB-CD1 3.9Å; N143-L147 WeakPolarHBondContact O-CB 3.43Å; N143-L147 VanDerWaalsContact O-CG 3.26Å; N143-L147 WeakPolarHBondContact O-CG 3.22Å; N143-L147 PolarHBondContact O-N 3.25Å; I144-L147 PolarHBondContact O-N 3.01Å; L147-R149 PolarHBondContact O-N 2.9Å; L147-H150 CarbonylContact O-C 3.57Å; L147-H150 PolarHBondContact O-N 3.04Å; L147-H150 VanDerWaalsContact O-N 3.15Å; L147-G151 PolarHBondContact O-N 2.92Å; L147-A152 HydrophobicContact CB-CB 3.9Å; L147-A152 VanDerWaalsContact O-CB 3.24Å; L147-A152 WeakPolarHBondContact O-CB 3.49Å; L147-A152 PolarHBondContact O-N 3.28Å |
| 148 | L | 96.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.8 | -68.9 | 168.1 | 0 | 0 | 0 | 112.2 | L132 I144 L146 H150 G151 P154 S179 L180 | L132-L148 HydrophobicContact CD1-CD2 4.48Å; L132-L148 HydrophobicContact CD1-CG 4.32Å; L132-L148 HydrophobicContact CD2-CD2 3.82Å; I144-L148 HydrophobicContact CG2-CD1 3.83Å; I144-L148 HydrophobicContact CG2-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.4Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.42Å; I144-L148 PolarHBondContact O-N 3.04Å; L146-L148 PolarHBondContact O-N 3.42Å; L148-H150 PolarHBondContact O-N 3.2Å; L148-G151 PolarHBondContact O-N 3.12Å; L148-P154 HydrophobicContact CD2-CB 4.09Å; L148-P154 HydrophobicContact CD2-CG 4.48Å; L148-S179 VanDerWaalsContact CD1-O 3.32Å; L148-S179 WeakPolarHBondContact CD1-O 3.27Å; L148-L180 HydrophobicContact CD1-CD2 4.26Å; L148-L180 HydrophobicContact CD2-CD2 4.49Å |
| 149 | R | 94.7 | Very high | 95.2 | Very high | 202 Ų | 202 | 44.6 Ų | 44.6 | 76% | 0.762 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.3 | -29.9 | 175.8 | -75.2 | 173.1 | -176.2 | 174.1 | 3.9 | 113 | K145 L146 L147 G151 | K145-R149 VanDerWaalsContact O-CG 3.26Å; K145-R149 WeakPolarHBondContact O-CG 3.5Å; K145-R149 PolarHBondContact O-N 3.12Å; K145-R149 VanDerWaalsContact O-N 3.09Å; L146-R149 PolarHBondContact O-N 3.26Å; L147-R149 PolarHBondContact O-N 2.9Å; R149-G151 VanDerWaalsContact C-N 3.3Å |
| 150 | H | 92.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.44 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.7 | 176.3 | -79.4 | -88.2 | 0 | 0 | 0 | 113.5 | L121 L146 L147 L148 | L121-H150 HydrophobicContact CD1-CB 3.93Å; L121-H150 WeakPolarHBondContact CD1-O 3.41Å; L146-H150 PolarHBondContact O-CD2 3.38Å; L146-H150 VanDerWaalsContact O-CD2 3.27Å; L146-H150 PolarHBondContact O-N 3.44Å; L146-H150 VanDerWaalsContact O-N 3.1Å; L147-H150 CarbonylContact O-C 3.57Å; L147-H150 PolarHBondContact O-N 3.04Å; L147-H150 VanDerWaalsContact O-N 3.15Å; L148-H150 PolarHBondContact O-N 3.2Å |
| 151 | G | 92.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 61% | 0.608 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | 14.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L147 L148 R149 S153 | L147-G151 PolarHBondContact O-N 2.92Å; L148-G151 PolarHBondContact O-N 3.12Å; R149-G151 VanDerWaalsContact C-N 3.3Å; G151-S153 PolarHBondContact O-N 3.26Å |
| 152 | A | 95.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | trans | -62.4 | 131.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L121 E122 L132 L147 P154 | L121-A152 HydrophobicContact CB-CB 4.31Å; L121-A152 HydrophobicContact CD1-CB 3.97Å; E122-A152 VanDerWaalsContact OE1-CA 3.31Å; E122-A152 WeakPolarHBondContact OE1-CA 3.35Å; L132-A152 HydrophobicContact CB-CB 4.4Å; L132-A152 HydrophobicContact CD2-CB 4.23Å; L147-A152 HydrophobicContact CB-CB 3.9Å; L147-A152 VanDerWaalsContact O-CB 3.24Å; L147-A152 WeakPolarHBondContact O-CB 3.49Å; L147-A152 PolarHBondContact O-N 3.28Å; A152-P154 WeakPolarHBondContact O-CD 3.31Å | ||
| 153 | S | 96.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | trans | -74.7 | 121.6 | -178.6 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | E122 L132 G151 H155 | E122-S153 PolarHBondContact OE1-N 2.95Å; L132-S153 WeakPolarHBondContact CD2-O 3.45Å; G151-S153 PolarHBondContact O-N 3.26Å; S153-H155 PolarHBondContact O-N 3.26Å; S153-H155 PolarHBondContact OG-N 3.15Å | ||
| 154 | P | 95.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -3.1 | 175.1 | 32.8 | -36.9 | 0 | 0 | 0 | 113.5 | L132 L148 A152 P164 A185 | L132-P154 HydrophobicContact CD2-CB 4.38Å; L148-P154 HydrophobicContact CD2-CB 4.09Å; L148-P154 HydrophobicContact CD2-CG 4.48Å; A152-P154 WeakPolarHBondContact O-CD 3.31Å; P154-P164 WeakPolarHBondContact O-CD 3.4Å; P154-A185 HydrophobicContact CB-CB 3.82Å; P154-A185 HydrophobicContact CG-CB 4.44Å |
| 155 | H | 95 | Very high | 94.2 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -16.5 | -176.2 | -53.6 | -61.9 | 0 | 0 | 0 | 113.3 | S153 T157 G184 Q189 | S153-H155 PolarHBondContact O-N 3.26Å; S153-H155 PolarHBondContact OG-N 3.15Å; H155-T157 PolarHBondContact O-N 3.21Å; H155-G184 PolarHBondContact CE1-O 2.93Å; H155-G184 PolarHBondContact NE2-O 3.2Å; H155-Q189 PolarHBondContact O-NE2 3.45Å |
| 156 | N | 94 | Very high | 94.2 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | trans | -73.6 | 123.9 | -175.8 | -77.9 | -18.1 | 0 | 0 | 0 | 110.7 | E122 T130 T133 P164 | E122-N156 WeakPolarHBondContact CG-ND2 3.29Å; E122-N156 PolarHBondContact OE2-ND2 2.95Å; T130-N156 HydrophobicContact CG2-CB 3.9Å; T133-N156 WeakPolarHBondContact CG2-O 3.34Å; N156-P164 WeakPolarHBondContact O-CD 3.41Å | ||
| 157 | T | 93.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -101.5 | 158.3 | -176.5 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | R124 H155 E162 | R124-T157 PolarHBondContact NH1-O 2.98Å; H155-T157 PolarHBondContact O-N 3.21Å; T157-E162 VanDerWaalsContact CA-O 3.23Å; T157-E162 WeakPolarHBondContact CA-O 3.28Å; T157-E162 WeakPolarHBondContact CB-O 3.41Å | ||
| 158 | N | 92.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -72.2 | -177.3 | 166.9 | 71.1 | 11.8 | 0 | 0 | 0 | 112.3 | G128 D129 R160 N161 E162 | G128-N158 WeakPolarHBondContact O-CA 3.37Å; D129-N158 WeakPolarHBondContact OD1-CB 3.4Å; D129-N158 PolarHBondContact OD1-ND2 3.22Å; N158-R160 PolarHBondContact O-N 2.93Å; N158-R160 VanDerWaalsContact O-N 3.1Å; N158-R160 WeakPolarHBondContact OD1-CA 3.45Å; N158-R160 WeakPolarHBondContact OD1-CB 3.48Å; N158-R160 PolarHBondContact OD1-N 2.86Å; N158-N161 PolarHBondContact O-N 2.93Å; N158-N161 PolarHBondContact OD1-N 3.27Å; N158-E162 PolarHBondContact N-O 3.16Å; N158-E162 PolarHBondContact ND2-OE2 2.59Å; N158-E162 WeakPolarHBondContact OD1-CB 3.45Å; N158-E162 PolarHBondContact OD1-N 3.35Å | ||
| 159 | S | 91.4 | Very high | 94.2 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.7 | -179.7 | -66.9 | 0 | 0 | 0 | 0 | 114.4 | D127 G128 | D127-S159 WeakPolarHBondContact O-CB 3.35Å; D127-S159 PolarHBondContact O-N 3.26Å; D127-S159 PolarHBondContact O-OG 2.98Å; G128-S159 WeakPolarHBondContact CA-OG 3.35Å; G128-S159 PolarHBondContact N-OG 3.34Å |
| 160 | R | 86.9 | Confident | 94.2 | Very high | 125 Ų | 125 | 33.4 Ų | 33.4 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 9.8 | 173.2 | -60.8 | -171.9 | -64.2 | -163.4 | -5.9 | 112.9 | N158 E162 | N158-R160 PolarHBondContact O-N 2.93Å; N158-R160 VanDerWaalsContact O-N 3.1Å; N158-R160 WeakPolarHBondContact OD1-CA 3.45Å; N158-R160 WeakPolarHBondContact OD1-CB 3.48Å; N158-R160 PolarHBondContact OD1-N 2.86Å; R160-E162 HydrophobicContact CB-CG 3.93Å; R160-E162 IonicContact CZ-OE1 3.69Å; R160-E162 IonicContact CZ-OE2 3.45Å; R160-E162 IonicContact NE-OE1 2.89Å; R160-E162 IonicContact NE-OE2 3.61Å; R160-E162 PolarHBondContact NE-OE2 3.38Å; R160-E162 IonicContact NH2-OE1 3.1Å; R160-E162 IonicContact NH2-OE2 2.73Å; R160-E162 PolarHBondContact NH2-OE2 2.78Å; R160-E162 PolarHBondContact O-N 3.01Å |
| 161 | N | 90.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 33 Ų | 33 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | trans | 55.1 | 27.6 | -169.4 | -68.2 | -0.1 | 0 | 0 | 0 | 113.9 | N158 C191 L192 | N158-N161 PolarHBondContact O-N 2.93Å; N158-N161 PolarHBondContact OD1-N 3.27Å; N161-C191 HydrophobicContact CB-CB 4.32Å; N161-C191 WeakPolarHBondContact O-CA 3.38Å; N161-C191 WeakPolarHBondContact O-CB 3.22Å; N161-L192 HydrophobicContact CB-CD2 4.4Å; N161-L192 HydrophobicContact CB-CG 4.08Å | ||
| 162 | E | 93.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | trans | -82.6 | 125.5 | 175 | -58.8 | 175.5 | 122.7 | 0 | 0 | 110.1 | T157 N158 R160 L166 L167 R170 | T157-E162 VanDerWaalsContact CA-O 3.23Å; T157-E162 WeakPolarHBondContact CA-O 3.28Å; T157-E162 WeakPolarHBondContact CB-O 3.41Å; N158-E162 PolarHBondContact N-O 3.16Å; N158-E162 PolarHBondContact ND2-OE2 2.59Å; N158-E162 WeakPolarHBondContact OD1-CB 3.45Å; N158-E162 PolarHBondContact OD1-N 3.35Å; R160-E162 HydrophobicContact CB-CG 3.93Å; R160-E162 IonicContact CZ-OE1 3.69Å; R160-E162 IonicContact CZ-OE2 3.45Å; R160-E162 IonicContact NE-OE1 2.89Å; R160-E162 IonicContact NE-OE2 3.61Å; R160-E162 PolarHBondContact NE-OE2 3.38Å; R160-E162 IonicContact NH2-OE1 3.1Å; R160-E162 IonicContact NH2-OE2 2.73Å; R160-E162 PolarHBondContact NH2-OE2 2.78Å; R160-E162 PolarHBondContact O-N 3.01Å; E162-L166 HydrophobicContact CB-CD2 4.11Å; E162-L166 HydrophobicContact CG-CD2 4.04Å; E162-L167 HydrophobicContact CB-CD2 4.2Å; E162-L167 HydrophobicContact CB-CG 4.33Å; E162-R170 IonicContact OE1-CZ 2.88Å; E162-R170 VanDerWaalsContact OE1-CZ 3.24Å; E162-R170 IonicContact OE1-NH1 2.72Å; E162-R170 PolarHBondContact OE1-NH1 3.33Å; E162-R170 IonicContact OE1-NH2 3.45Å; E162-R170 PolarHBondContact OE1-NH2 2.91Å; E162-R170 IonicContact OE2-NH1 3.51Å | ||
| 163 | S | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -79.7 | 156 | 175.6 | 68.2 | 0 | 0 | 0 | 0 | 111.2 | L165 L166 L167 | S163-L165 PolarHBondContact O-N 3.22Å; S163-L165 VanDerWaalsContact O-N 3.17Å; S163-L166 PolarHBondContact O-N 2.94Å; S163-L166 VanDerWaalsContact O-N 3.09Å; S163-L166 PolarHBondContact OG-N 3.29Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.95Å; S163-L167 VanDerWaalsContact O-N 3.09Å | ||
| 164 | P | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.1 | -36.1 | 170.1 | -25.5 | 32.5 | 0 | 0 | 0 | 112.6 | L132 T133 A136 P154 N156 L167 A168 L180 | L132-P164 HydrophobicContact CB-CG 4.41Å; L132-P164 HydrophobicContact CD2-CB 4.34Å; L132-P164 HydrophobicContact CD2-CG 4.02Å; L132-P164 HydrophobicContact CG-CB 4.01Å; L132-P164 HydrophobicContact CG-CG 3.92Å; T133-P164 HydrophobicContact CG2-CG 3.75Å; A136-P164 HydrophobicContact CB-CB 4.02Å; A136-P164 VanDerWaalsContact CB-O 3.3Å; A136-P164 WeakPolarHBondContact CB-O 3.42Å; P154-P164 WeakPolarHBondContact O-CD 3.4Å; N156-P164 WeakPolarHBondContact O-CD 3.41Å; P164-L167 PolarHBondContact O-N 3.47Å; P164-A168 WeakPolarHBondContact O-CB 3.35Å; P164-A168 PolarHBondContact O-N 3Å; P164-L180 HydrophobicContact CB-CD1 4.16Å; P164-L180 HydrophobicContact CB-CD2 3.78Å; P164-L180 WeakPolarHBondContact O-CD1 3.43Å |
| 165 | L | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 177.1 | -178.3 | 63.3 | 0 | 0 | 0 | 111.5 | S163 L167 A168 V169 V177 L180 I181 A185 A197 L213 | S163-L165 PolarHBondContact O-N 3.22Å; S163-L165 VanDerWaalsContact O-N 3.17Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L167 PolarHBondContact O-N 3.06Å; L165-A168 PolarHBondContact O-N 3.14Å; L165-V169 WeakPolarHBondContact O-CG2 3.31Å; L165-V169 PolarHBondContact O-N 3.21Å; L165-V177 HydrophobicContact CD1-CB 4.45Å; L165-V177 HydrophobicContact CD1-CG1 3.84Å; L165-L180 HydrophobicContact CD1-CB 4.21Å; L165-I181 HydrophobicContact CD1-CD1 4.36Å; L165-I181 HydrophobicContact CD1-CG1 3.9Å; L165-A185 HydrophobicContact CB-CB 4.18Å; L165-A185 HydrophobicContact CD2-CB 4.21Å; L165-A197 HydrophobicContact CD2-CB 4.09Å; L165-A197 HydrophobicContact CG-CB 4.1Å; L165-L213 HydrophobicContact CD1-CD2 4.43Å; L165-L213 HydrophobicContact CD2-CD2 4.23Å |
| 166 | L | 95.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 178.1 | 179.8 | 63.9 | 0 | 0 | 0 | 111.5 | E162 S163 A168 V169 R170 C191 E200 | E162-L166 HydrophobicContact CB-CD2 4.11Å; E162-L166 HydrophobicContact CG-CD2 4.04Å; S163-L166 PolarHBondContact O-N 2.94Å; S163-L166 VanDerWaalsContact O-N 3.09Å; S163-L166 PolarHBondContact OG-N 3.29Å; L166-A168 PolarHBondContact O-N 3.4Å; L166-V169 PolarHBondContact O-N 3.23Å; L166-R170 PolarHBondContact O-N 3.05Å; L166-C191 HydrophobicContact CD2-CB 4.2Å; L166-E200 HydrophobicContact CD1-CB 3.54Å; L166-E200 HydrophobicContact CD1-CG 3.94Å |
| 167 | L | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 177.4 | -63.4 | 171.1 | 0 | 0 | 0 | 111.7 | T133 A136 E137 E162 S163 P164 L165 R170 Q171 | T133-L167 HydrophobicContact CG2-CD1 4.25Å; T133-L167 WeakPolarHBondContact O-CD1 3.5Å; A136-L167 HydrophobicContact CB-CB 4.12Å; E137-L167 HydrophobicContact CB-CD1 4.37Å; E162-L167 HydrophobicContact CB-CD2 4.2Å; E162-L167 HydrophobicContact CB-CG 4.33Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.95Å; S163-L167 VanDerWaalsContact O-N 3.09Å; P164-L167 PolarHBondContact O-N 3.47Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L167 PolarHBondContact O-N 3.06Å; L167-R170 WeakPolarHBondContact O-CB 3.41Å; L167-R170 PolarHBondContact O-N 3.05Å; L167-Q171 WeakPolarHBondContact O-CG 3.24Å; L167-Q171 PolarHBondContact O-N 3.33Å |
| 168 | A | 97 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A136 P164 L165 L166 Q171 S172 S173 V177 L180 | A136-A168 HydrophobicContact CB-CB 4.44Å; P164-A168 WeakPolarHBondContact O-CB 3.35Å; P164-A168 PolarHBondContact O-N 3Å; L165-A168 PolarHBondContact O-N 3.14Å; L166-A168 PolarHBondContact O-N 3.4Å; A168-Q171 PolarHBondContact O-N 3.44Å; A168-S172 PolarHBondContact O-N 3.2Å; A168-S173 PolarHBondContact O-N 3.29Å; A168-V177 HydrophobicContact CB-CG2 3.92Å; A168-L180 HydrophobicContact CB-CD1 3.56Å |
| 169 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L165 L166 Q171 S172 V177 A197 E200 A201 I209 L213 | L165-V169 WeakPolarHBondContact O-CG2 3.31Å; L165-V169 PolarHBondContact O-N 3.21Å; L166-V169 PolarHBondContact O-N 3.23Å; V169-Q171 PolarHBondContact O-N 3.11Å; V169-S172 WeakPolarHBondContact O-CA 3.46Å; V169-S172 PolarHBondContact O-N 2.92Å; V169-V177 HydrophobicContact CB-CG2 4.4Å; V169-V177 HydrophobicContact CG2-CG1 4.38Å; V169-V177 HydrophobicContact CG2-CG2 3.64Å; V169-A197 HydrophobicContact CG2-CB 4.09Å; V169-E200 HydrophobicContact CB-CG 4.41Å; V169-E200 HydrophobicContact CG1-CB 3.79Å; V169-E200 HydrophobicContact CG1-CG 3.85Å; V169-A201 HydrophobicContact CG1-CB 3.83Å; V169-I209 HydrophobicContact CB-CG2 4.37Å; V169-I209 HydrophobicContact CG1-CG2 3.98Å; V169-I209 HydrophobicContact CG2-CG2 3.76Å; V169-L213 HydrophobicContact CG2-CD1 4.28Å |
| 170 | R | 94.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 33.7 Ų | 33.7 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.6 | -36.7 | 176.2 | -173.6 | 175.5 | -61.4 | 145.4 | -0.4 | 112.3 | E162 L166 L167 S172 E200 | E162-R170 IonicContact OE1-CZ 2.88Å; E162-R170 VanDerWaalsContact OE1-CZ 3.24Å; E162-R170 IonicContact OE1-NH1 2.72Å; E162-R170 PolarHBondContact OE1-NH1 3.33Å; E162-R170 IonicContact OE1-NH2 3.45Å; E162-R170 PolarHBondContact OE1-NH2 2.91Å; E162-R170 IonicContact OE2-NH1 3.51Å; L166-R170 PolarHBondContact O-N 3.05Å; L167-R170 WeakPolarHBondContact O-CB 3.41Å; L167-R170 PolarHBondContact O-N 3.05Å; R170-S172 PolarHBondContact O-N 3.33Å; R170-E200 HydrophobicContact CB-CG 4.16Å; R170-E200 WeakPolarHBondContact CB-OE1 3.33Å; R170-E200 VanDerWaalsContact CG-OE1 3.31Å; R170-E200 WeakPolarHBondContact CG-OE1 3.29Å; R170-E200 IonicContact CZ-OE1 2.73Å; R170-E200 IonicContact NE-OE1 2.75Å; R170-E200 PolarHBondContact NE-OE1 3Å |
| 171 | Q | 95.3 | Very high | 96 | Very high | 86 Ų | 86 | 28.5 Ų | 28.5 | 40% | 0.402 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 0.8 | 174.1 | -61.7 | -55.2 | -27.7 | 0 | 0 | 114 | E137 N139 L167 A168 V169 S173 | E137-Q171 VanDerWaalsContact O-CD 3.31Å; E137-Q171 WeakPolarHBondContact O-CG 3.49Å; E137-Q171 PolarHBondContact O-NE2 3.1Å; E137-Q171 VanDerWaalsContact O-NE2 3.09Å; N139-Q171 HydrophobicContact CB-CB 4.19Å; N139-Q171 HydrophobicContact CB-CG 4.31Å; L167-Q171 WeakPolarHBondContact O-CG 3.24Å; L167-Q171 PolarHBondContact O-N 3.33Å; A168-Q171 PolarHBondContact O-N 3.44Å; V169-Q171 PolarHBondContact O-N 3.11Å; Q171-S173 PolarHBondContact O-N 3.06Å; Q171-S173 VanDerWaalsContact O-N 3.13Å |
| 172 | S | 94.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 31.4 Ų | 31.4 | 41% | 0.413 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 27.3 | -178.6 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | A168 V169 R170 V204 | A168-S172 PolarHBondContact O-N 3.2Å; V169-S172 WeakPolarHBondContact O-CA 3.46Å; V169-S172 PolarHBondContact O-N 2.92Å; R170-S172 PolarHBondContact O-N 3.33Å; S172-V204 WeakPolarHBondContact OG-CG1 3.42Å |
| 173 | S | 94.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | trans | -97.1 | 100.3 | -175 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | N139 A168 Q171 D175 S176 V177 | N139-S173 WeakPolarHBondContact OD1-CB 3.29Å; N139-S173 PolarHBondContact OD1-OG 3.39Å; A168-S173 PolarHBondContact O-N 3.29Å; Q171-S173 PolarHBondContact O-N 3.06Å; Q171-S173 VanDerWaalsContact O-N 3.13Å; S173-D175 PolarHBondContact O-N 3.14Å; S173-S176 PolarHBondContact O-N 2.94Å; S173-S176 WeakPolarHBondContact OG-CB 3.49Å; S173-S176 PolarHBondContact OG-N 3.29Å; S173-S176 PolarHBondContact OG-OG 3.29Å; S173-V177 VanDerWaalsContact O-CG2 3.27Å; S173-V177 WeakPolarHBondContact O-CG2 3.46Å; S173-V177 PolarHBondContact O-N 3.13Å | ||
| 174 | C | 95.5 | Very high | 96.3 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.9 | -38.7 | 178.1 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | H178 | C174-H178 WeakPolarHBondContact O-CB 3.24Å; C174-H178 PolarHBondContact O-N 3.33Å |
| 175 | D | 96.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 34.8 Ų | 34.8 | 57% | 0.567 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -70.2 | -40.4 | -178.2 | -66.7 | -32.4 | 0 | 0 | 0 | 112.6 | V141 S173 S179 | V141-D175 HydrophobicContact CG1-CB 3.84Å; V141-D175 HydrophobicContact CG2-CB 3.98Å; S173-D175 PolarHBondContact O-N 3.14Å; D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.39Å; D175-S179 PolarHBondContact O-N 2.94Å; D175-S179 PolarHBondContact O-OG 3.02Å |
| 176 | S | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -46.6 | 175 | -68.5 | 0 | 0 | 0 | 0 | 110.7 | N139 V141 I144 S173 S179 L180 | N139-S176 PolarHBondContact OD1-OG 3.02Å; V141-S176 VanDerWaalsContact CG2-OG 3.29Å; V141-S176 WeakPolarHBondContact CG2-OG 3.45Å; I144-S176 WeakPolarHBondContact CD1-OG 3.47Å; S173-S176 PolarHBondContact O-N 2.94Å; S173-S176 WeakPolarHBondContact OG-CB 3.49Å; S173-S176 PolarHBondContact OG-N 3.29Å; S173-S176 PolarHBondContact OG-OG 3.29Å; S176-S179 PolarHBondContact O-N 2.96Å; S176-L180 WeakPolarHBondContact O-CB 3.19Å; S176-L180 WeakPolarHBondContact O-CD1 3.47Å; S176-L180 VanDerWaalsContact O-CG 3.31Å; S176-L180 WeakPolarHBondContact O-CG 3.34Å; S176-L180 PolarHBondContact O-N 3.28Å |
| 177 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L165 A168 V169 S173 S179 L180 I181 I209 L212 L213 | L165-V177 HydrophobicContact CD1-CB 4.45Å; L165-V177 HydrophobicContact CD1-CG1 3.84Å; A168-V177 HydrophobicContact CB-CG2 3.92Å; V169-V177 HydrophobicContact CB-CG2 4.4Å; V169-V177 HydrophobicContact CG2-CG1 4.38Å; V169-V177 HydrophobicContact CG2-CG2 3.64Å; S173-V177 VanDerWaalsContact O-CG2 3.27Å; S173-V177 WeakPolarHBondContact O-CG2 3.46Å; S173-V177 PolarHBondContact O-N 3.13Å; V177-S179 PolarHBondContact O-N 3Å; V177-L180 PolarHBondContact O-N 3.42Å; V177-I181 HydrophobicContact CG1-CD1 3.78Å; V177-I181 HydrophobicContact CG1-CG1 4.48Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 3.2Å; V177-I209 HydrophobicContact CG1-CG2 4.25Å; V177-I209 HydrophobicContact CG2-CD1 4.22Å; V177-I209 HydrophobicContact CG2-CG1 4.41Å; V177-I209 HydrophobicContact CG2-CG2 4.27Å; V177-L212 HydrophobicContact CB-CD2 4.34Å; V177-L212 HydrophobicContact CG1-CD2 3.74Å; V177-L213 HydrophobicContact CG1-CD2 4.38Å |
| 178 | H | 97.5 | Very high | 95.8 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 40% | 0.398 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.6 | -179 | -85.5 | 0 | 0 | 0 | 111.8 | C174 L180 I181 M182 L212 | C174-H178 WeakPolarHBondContact O-CB 3.24Å; C174-H178 PolarHBondContact O-N 3.33Å; H178-L180 VanDerWaalsContact C-N 3.32Å; H178-L180 PolarHBondContact O-N 3.28Å; H178-I181 PolarHBondContact O-N 3.3Å; H178-M182 WeakPolarHBondContact O-CB 3.12Å; H178-M182 VanDerWaalsContact O-CG 3.23Å; H178-M182 WeakPolarHBondContact O-CG 3.29Å; H178-M182 PolarHBondContact O-N 3.39Å; H178-L212 HydrophobicContact CB-CD2 3.9Å |
| 179 | S | 97.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | K145 L148 D175 S176 V177 G183 | K145-S179 VanDerWaalsContact CE-OG 3.27Å; K145-S179 WeakPolarHBondContact CE-OG 3.47Å; L148-S179 VanDerWaalsContact CD1-O 3.32Å; L148-S179 WeakPolarHBondContact CD1-O 3.27Å; D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.39Å; D175-S179 PolarHBondContact O-N 2.94Å; D175-S179 PolarHBondContact O-OG 3.02Å; S176-S179 PolarHBondContact O-N 2.96Å; V177-S179 PolarHBondContact O-N 3Å; S179-G183 PolarHBondContact O-N 3.47Å |
| 180 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 178 | -73.5 | 163.4 | 0 | 0 | 0 | 112.3 | L132 A136 I144 L148 P164 L165 A168 S176 V177 H178 G183 G184 A185 | L132-L180 HydrophobicContact CD1-CD2 4.15Å; L132-L180 HydrophobicContact CD2-CD2 4.2Å; L132-L180 HydrophobicContact CG-CD2 4.3Å; A136-L180 HydrophobicContact CB-CD1 4.38Å; I144-L180 HydrophobicContact CG2-CD2 3.81Å; I144-L180 HydrophobicContact CG2-CG 3.8Å; L148-L180 HydrophobicContact CD1-CD2 4.26Å; L148-L180 HydrophobicContact CD2-CD2 4.49Å; P164-L180 HydrophobicContact CB-CD1 4.16Å; P164-L180 HydrophobicContact CB-CD2 3.78Å; P164-L180 WeakPolarHBondContact O-CD1 3.43Å; L165-L180 HydrophobicContact CD1-CB 4.21Å; A168-L180 HydrophobicContact CB-CD1 3.56Å; S176-L180 WeakPolarHBondContact O-CB 3.19Å; S176-L180 WeakPolarHBondContact O-CD1 3.47Å; S176-L180 VanDerWaalsContact O-CG 3.31Å; S176-L180 WeakPolarHBondContact O-CG 3.34Å; S176-L180 PolarHBondContact O-N 3.28Å; V177-L180 PolarHBondContact O-N 3.42Å; H178-L180 VanDerWaalsContact C-N 3.32Å; H178-L180 PolarHBondContact O-N 3.28Å; L180-G183 CarbonylContact O-C 3.59Å; L180-G183 WeakPolarHBondContact O-CA 3.43Å; L180-G183 PolarHBondContact O-N 3.47Å; L180-G183 VanDerWaalsContact O-N 3.13Å; L180-G184 PolarHBondContact O-N 2.98Å; L180-A185 HydrophobicContact CB-CB 4.09Å; L180-A185 WeakPolarHBondContact O-CB 3.09Å; L180-A185 PolarHBondContact O-N 3.22Å |
| 181 | I | 97.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.3 | -68.6 | 170.7 | 0 | 0 | 0 | 110.6 | L165 V177 H178 G183 G184 V187 L212 L213 H216 | L165-I181 HydrophobicContact CD1-CD1 4.36Å; L165-I181 HydrophobicContact CD1-CG1 3.9Å; V177-I181 HydrophobicContact CG1-CD1 3.78Å; V177-I181 HydrophobicContact CG1-CG1 4.48Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 3.2Å; H178-I181 PolarHBondContact O-N 3.3Å; I181-G183 PolarHBondContact O-N 3.29Å; I181-G184 PolarHBondContact O-N 3.12Å; I181-V187 HydrophobicContact CD1-CG2 4.42Å; I181-V187 HydrophobicContact CG1-CG2 4.3Å; I181-L212 HydrophobicContact CD1-CD2 4.09Å; I181-L212 HydrophobicContact CD1-CG 3.92Å; I181-L213 HydrophobicContact CD1-CD2 4.03Å; I181-H216 HydrophobicContact CG2-CB 3.86Å; I181-H216 VanDerWaalsContact CG2-CG 3.49Å |
| 182 | M | 96.5 | Very high | 94.3 | Very high | 131 Ų | 131 | 43.6 Ų | 43.6 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.7 | -23.9 | 176.6 | -64.4 | -60.8 | -85.9 | 0 | 0 | 112.6 | H178 G184 | H178-M182 WeakPolarHBondContact O-CB 3.12Å; H178-M182 VanDerWaalsContact O-CG 3.23Å; H178-M182 WeakPolarHBondContact O-CG 3.29Å; H178-M182 PolarHBondContact O-N 3.39Å; M182-G184 PolarHBondContact O-N 2.95Å |
| 183 | G | 94.5 | Very high | 93.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -0.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S179 L180 I181 | S179-G183 PolarHBondContact O-N 3.47Å; L180-G183 CarbonylContact O-C 3.59Å; L180-G183 WeakPolarHBondContact O-CA 3.43Å; L180-G183 PolarHBondContact O-N 3.47Å; L180-G183 VanDerWaalsContact O-N 3.13Å; I181-G183 PolarHBondContact O-N 3.29Å |
| 184 | G | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 44% | 0.443 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 10.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H155 L180 I181 M182 F186 | H155-G184 PolarHBondContact CE1-O 2.93Å; H155-G184 PolarHBondContact NE2-O 3.2Å; L180-G184 PolarHBondContact O-N 2.98Å; I181-G184 PolarHBondContact O-N 3.12Å; M182-G184 PolarHBondContact O-N 2.95Å; G184-F186 PolarHBondContact O-N 3.07Å |
| 185 | A | 95.9 | Very high | 93.6 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | trans | -56.6 | 133.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P154 L165 L180 V187 | P154-A185 HydrophobicContact CB-CB 3.82Å; P154-A185 HydrophobicContact CG-CB 4.44Å; L165-A185 HydrophobicContact CB-CB 4.18Å; L165-A185 HydrophobicContact CD2-CB 4.21Å; L180-A185 HydrophobicContact CB-CB 4.09Å; L180-A185 WeakPolarHBondContact O-CB 3.09Å; L180-A185 PolarHBondContact O-N 3.22Å; A185-V187 PolarHBondContact O-N 3.41Å | ||
| 186 | F | 93.4 | Very high | 93.5 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 52% | 0.522 | 23% | 0.227 | S | C | . | . | trans | -78.8 | 116.5 | 177.2 | -176.2 | -121.4 | 0 | 0 | 0 | 109.8 | G184 E188 Q189 | G184-F186 PolarHBondContact O-N 3.07Å; F186-E188 VanDerWaalsContact C-N 3.29Å; F186-E188 VanDerWaalsContact CD1-C 3.49Å; F186-E188 HydrophobicContact CD1-CB 4.26Å; F186-E188 HydrophobicContact CE1-CB 3.52Å; F186-E188 WeakPolarHBondContact CE1-O 3.42Å; F186-E188 HydrophobicContact CE2-CB 4.2Å; F186-E188 HydrophobicContact CZ-CB 3.5Å; F186-E188 PolarHBondContact O-N 2.9Å; F186-Q189 HydrophobicContact CB-CB 4.39Å; F186-Q189 HydrophobicContact CD1-CB 3.96Å; F186-Q189 VanDerWaalsContact CD1-N 3.27Å; F186-Q189 VanDerWaalsContact O-CB 3.31Å; F186-Q189 WeakPolarHBondContact O-CB 3.37Å; F186-Q189 PolarHBondContact O-N 3.32Å | ||
| 187 | V | 93.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -35.4 | -175 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | I181 A185 Q189 L213 H216 A218 | I181-V187 HydrophobicContact CD1-CG2 4.42Å; I181-V187 HydrophobicContact CG1-CG2 4.3Å; A185-V187 PolarHBondContact O-N 3.41Å; V187-Q189 VanDerWaalsContact C-N 3.26Å; V187-Q189 PolarHBondContact O-N 3.39Å; V187-L213 HydrophobicContact CG1-CB 4.09Å; V187-L213 HydrophobicContact CG1-CD2 3.86Å; V187-H216 HydrophobicContact CG2-CB 4.06Å; V187-A218 HydrophobicContact CG1-CB 3.55Å |
| 188 | E | 91.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 19.5 | -179.1 | -71.9 | -59.8 | 151.3 | 0 | 0 | 113.1 | F186 V190 A218 Q219 V222 | F186-E188 VanDerWaalsContact C-N 3.29Å; F186-E188 VanDerWaalsContact CD1-C 3.49Å; F186-E188 HydrophobicContact CD1-CB 4.26Å; F186-E188 HydrophobicContact CE1-CB 3.52Å; F186-E188 WeakPolarHBondContact CE1-O 3.42Å; F186-E188 HydrophobicContact CE2-CB 4.2Å; F186-E188 HydrophobicContact CZ-CB 3.5Å; F186-E188 PolarHBondContact O-N 2.9Å; E188-V190 PolarHBondContact O-N 3.4Å; E188-A218 WeakPolarHBondContact OE1-CA 3.42Å; E188-Q219 PolarHBondContact OE1-N 3.08Å; E188-V222 WeakPolarHBondContact OE2-CG2 3.24Å |
| 189 | Q | 91.8 | Very high | 93.3 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | trans | -68 | 125 | 174.7 | -170.6 | 165.5 | -8.7 | 0 | 0 | 110 | H155 F186 V187 | H155-Q189 PolarHBondContact O-NE2 3.45Å; F186-Q189 HydrophobicContact CB-CB 4.39Å; F186-Q189 HydrophobicContact CD1-CB 3.96Å; F186-Q189 VanDerWaalsContact CD1-N 3.27Å; F186-Q189 VanDerWaalsContact O-CB 3.31Å; F186-Q189 WeakPolarHBondContact O-CB 3.37Å; F186-Q189 PolarHBondContact O-N 3.32Å; V187-Q189 VanDerWaalsContact C-N 3.26Å; V187-Q189 PolarHBondContact O-N 3.39Å | ||
| 190 | V | 90.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 44% | 0.436 | 21% | 0.208 | S | C | . | . | trans | -95.9 | 145.6 | -180 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | E188 W195 T196 | E188-V190 PolarHBondContact O-N 3.4Å; V190-W195 WeakPolarHBondContact CA-O 3.33Å; V190-T196 HydrophobicContact CG1-CG2 3.69Å | ||
| 191 | C | 88.5 | Confident | 93.2 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 12% | 0.122 | 21% | 0.208 | C | C | . | . | trans | -92.4 | -171.3 | 164.3 | 83.4 | 0 | 0 | 0 | 0 | 111.8 | N161 L166 T193 K194 W195 | N161-C191 HydrophobicContact CB-CB 4.32Å; N161-C191 WeakPolarHBondContact O-CA 3.38Å; N161-C191 WeakPolarHBondContact O-CB 3.22Å; L166-C191 HydrophobicContact CD2-CB 4.2Å; C191-T193 PolarHBondContact O-N 2.72Å; C191-K194 PolarHBondContact O-N 3.46Å; C191-W195 PolarHBondContact N-O 2.97Å; C191-W195 VanDerWaalsContact SG-CB 3.58Å | ||
| 192 | L | 81.8 | Confident | 93.2 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 41% | 0.414 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30 | -174.1 | -72.1 | 171.8 | 0 | 0 | 0 | 114.2 | N161 | N161-L192 HydrophobicContact CB-CD2 4.4Å; N161-L192 HydrophobicContact CB-CG 4.08Å |
| 193 | T | 85.6 | Confident | 93.2 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 29% | 0.288 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 23.9 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | C191 W195 G225 | C191-T193 PolarHBondContact O-N 2.72Å; T193-W195 PolarHBondContact O-N 3.27Å; T193-W195 WeakPolarHBondContact OG1-CB 3.28Å; T193-G225 WeakPolarHBondContact O-CA 3.4Å; T193-G225 PolarHBondContact O-N 3.46Å |
| 194 | K | 91.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 34.5 Ų | 34.5 | 43% | 0.426 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 55.5 | 16.6 | -170.2 | -56.8 | 178.1 | -176.1 | 167.5 | 0 | 113.1 | E29 C191 | E29-K194 IonicContact OE2-NZ 3.59Å; E29-K194 PolarHBondContact OE2-NZ 2.78Å; C191-K194 PolarHBondContact O-N 3.46Å |
| 195 | W | 93.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 13% | 0.129 | 18% | 0.176 | C | C | . | . | trans | -77.2 | 135.1 | -177.8 | -169.8 | -94.9 | 0 | 0 | 0 | 110.6 | V190 C191 T193 H199 E200 K203 D224 I233 | V190-W195 WeakPolarHBondContact CA-O 3.33Å; C191-W195 PolarHBondContact N-O 2.97Å; C191-W195 VanDerWaalsContact SG-CB 3.58Å; T193-W195 PolarHBondContact O-N 3.27Å; T193-W195 WeakPolarHBondContact OG1-CB 3.28Å; W195-H199 HydrophobicContact CD2-CB 3.59Å; W195-H199 VanDerWaalsContact CE2-CB 3.47Å; W195-H199 HydrophobicContact CE3-CB 3.91Å; W195-H199 HydrophobicContact CG-CB 4.14Å; W195-H199 HydrophobicContact CH2-CB 4Å; W195-H199 HydrophobicContact CZ2-CB 3.69Å; W195-H199 HydrophobicContact CZ3-CB 4.1Å; W195-E200 PolarHBondContact NE1-OE2 3.08Å; W195-K203 HydrophobicContact CH2-CD 4.44Å; W195-K203 HydrophobicContact CZ2-CB 4.35Å; W195-K203 HydrophobicContact CZ2-CD 4.04Å; W195-D224 HydrophobicContact CE3-CB 4.02Å; W195-I233 HydrophobicContact CH2-CB 4.44Å; W195-I233 HydrophobicContact CH2-CD1 3.69Å; W195-I233 HydrophobicContact CH2-CG1 3.76Å; W195-I233 HydrophobicContact CH2-CG2 3.79Å; W195-I233 HydrophobicContact CZ2-CG2 4.33Å; W195-I233 HydrophobicContact CZ3-CD1 3.66Å; W195-I233 HydrophobicContact CZ3-CG1 3.92Å | ||
| 196 | T | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -114.4 | 167.3 | -177.1 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | V190 T198 H199 E200 V222 | V190-T196 HydrophobicContact CG1-CG2 3.69Å; T196-T198 PolarHBondContact O-N 3.22Å; T196-T198 PolarHBondContact OG1-N 3.04Å; T196-H199 PolarHBondContact N-ND1 2.99Å; T196-H199 PolarHBondContact O-N 3.45Å; T196-H199 VanDerWaalsContact O-N 3.12Å; T196-H199 PolarHBondContact OG1-ND1 3.02Å; T196-E200 PolarHBondContact O-N 3.37Å; T196-E200 VanDerWaalsContact O-N 3.15Å; T196-V222 HydrophobicContact CG2-CG1 3.95Å | ||
| 197 | A | 95.4 | Very high | 93 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.5 | -33.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L165 V169 E200 A201 L213 | L165-A197 HydrophobicContact CD2-CB 4.09Å; L165-A197 HydrophobicContact CG-CB 4.1Å; V169-A197 HydrophobicContact CG2-CB 4.09Å; A197-E200 PolarHBondContact O-N 3.39Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 3.12Å; A197-L213 HydrophobicContact CB-CD1 4.02Å; A197-L213 HydrophobicContact CB-CD2 3.93Å; A197-L213 WeakPolarHBondContact O-CD1 3.21Å |
| 198 | T | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 177.6 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | T196 A201 A202 L210 A218 A230 | T196-T198 PolarHBondContact O-N 3.22Å; T196-T198 PolarHBondContact OG1-N 3.04Å; T198-A201 PolarHBondContact O-N 2.74Å; T198-A202 WeakPolarHBondContact O-CB 3.47Å; T198-A202 PolarHBondContact O-N 3.3Å; T198-L210 HydrophobicContact CG2-CD1 3.74Å; T198-A218 HydrophobicContact CG2-CB 4.5Å; T198-A218 WeakPolarHBondContact OG1-CB 3.38Å; T198-A230 HydrophobicContact CG2-CB 3.84Å |
| 199 | H | 96.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.7 | -67.9 | 91.7 | 0 | 0 | 0 | 111 | W195 T196 A201 A202 K203 V222 V228 A230 | W195-H199 HydrophobicContact CD2-CB 3.59Å; W195-H199 VanDerWaalsContact CE2-CB 3.47Å; W195-H199 HydrophobicContact CE3-CB 3.91Å; W195-H199 HydrophobicContact CG-CB 4.14Å; W195-H199 HydrophobicContact CH2-CB 4Å; W195-H199 HydrophobicContact CZ2-CB 3.69Å; W195-H199 HydrophobicContact CZ3-CB 4.1Å; T196-H199 PolarHBondContact N-ND1 2.99Å; T196-H199 PolarHBondContact O-N 3.45Å; T196-H199 VanDerWaalsContact O-N 3.12Å; T196-H199 PolarHBondContact OG1-ND1 3.02Å; H199-A201 PolarHBondContact O-N 3.46Å; H199-A202 PolarHBondContact O-N 3.37Å; H199-K203 WeakPolarHBondContact O-CB 3.2Å; H199-K203 PolarHBondContact O-N 3.22Å; H199-V222 PolarHBondContact NE2-O 3.11Å; H199-V228 PolarHBondContact NE2-O 2.85Å; H199-V228 VanDerWaalsContact NE2-O 3.13Å; H199-A230 PolarHBondContact CD2-N 3.24Å; H199-A230 PolarHBondContact NE2-N 3.31Å |
| 200 | E | 96.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | 176.8 | -165.6 | 72.1 | -177.9 | 0 | 0 | 111.7 | L166 V169 R170 W195 T196 A197 A202 K203 V204 | L166-E200 HydrophobicContact CD1-CB 3.54Å; L166-E200 HydrophobicContact CD1-CG 3.94Å; V169-E200 HydrophobicContact CB-CG 4.41Å; V169-E200 HydrophobicContact CG1-CB 3.79Å; V169-E200 HydrophobicContact CG1-CG 3.85Å; R170-E200 HydrophobicContact CB-CG 4.16Å; R170-E200 WeakPolarHBondContact CB-OE1 3.33Å; R170-E200 VanDerWaalsContact CG-OE1 3.31Å; R170-E200 WeakPolarHBondContact CG-OE1 3.29Å; R170-E200 IonicContact CZ-OE1 2.73Å; R170-E200 IonicContact NE-OE1 2.75Å; R170-E200 PolarHBondContact NE-OE1 3Å; W195-E200 PolarHBondContact NE1-OE2 3.08Å; T196-E200 PolarHBondContact O-N 3.37Å; T196-E200 VanDerWaalsContact O-N 3.15Å; A197-E200 PolarHBondContact O-N 3.39Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 3.07Å; E200-K203 PolarHBondContact O-N 3.37Å; E200-V204 HydrophobicContact CG-CG2 4.42Å; E200-V204 WeakPolarHBondContact O-CB 3.38Å; E200-V204 VanDerWaalsContact O-CG2 3.27Å; E200-V204 WeakPolarHBondContact O-CG2 3.3Å; E200-V204 PolarHBondContact O-N 3.12Å |
| 201 | A | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V169 A197 T198 H199 G205 C206 I209 L210 L213 | V169-A201 HydrophobicContact CG1-CB 3.83Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 3.12Å; T198-A201 PolarHBondContact O-N 2.74Å; H199-A201 PolarHBondContact O-N 3.46Å; A201-G205 PolarHBondContact O-N 3.18Å; A201-C206 PolarHBondContact O-N 2.97Å; A201-I209 HydrophobicContact CB-CG2 3.92Å; A201-L210 HydrophobicContact CB-CB 4.27Å; A201-L210 HydrophobicContact CB-CD1 4.14Å; A201-L213 HydrophobicContact CB-CD1 3.79Å |
| 202 | A | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T198 H199 E200 G205 A230 I233 A234 R239 L246 | T198-A202 WeakPolarHBondContact O-CB 3.47Å; T198-A202 PolarHBondContact O-N 3.3Å; H199-A202 PolarHBondContact O-N 3.37Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 3.07Å; A202-G205 PolarHBondContact O-N 3.11Å; A202-A230 HydrophobicContact CB-CB 4.03Å; A202-A230 WeakPolarHBondContact CB-O 3.21Å; A202-I233 HydrophobicContact CB-CB 4.49Å; A202-I233 HydrophobicContact CB-CG2 4.45Å; A202-A234 HydrophobicContact CB-CB 4.11Å; A202-R239 VanDerWaalsContact O-CG 3.29Å; A202-R239 WeakPolarHBondContact O-CG 3.32Å; A202-L246 HydrophobicContact CB-CD1 4.35Å |
| 203 | K | 96.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 25.4 Ų | 25.4 | 36% | 0.361 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.9 | -49.9 | 175.3 | 173.8 | 169.6 | -176.5 | -177.7 | 0 | 112.5 | W195 H199 E200 G205 I233 R239 | W195-K203 HydrophobicContact CH2-CD 4.44Å; W195-K203 HydrophobicContact CZ2-CB 4.35Å; W195-K203 HydrophobicContact CZ2-CD 4.04Å; H199-K203 WeakPolarHBondContact O-CB 3.2Å; H199-K203 PolarHBondContact O-N 3.22Å; E200-K203 PolarHBondContact O-N 3.37Å; K203-G205 PolarHBondContact O-N 3.15Å; K203-I233 HydrophobicContact CB-CG2 3.62Å; K203-R239 PolarHBondContact O-NE 3.48Å; K203-R239 PolarHBondContact O-NH2 3.41Å |
| 204 | V | 94.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 24 Ų | 24 | 22% | 0.218 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | 177.8 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | S172 E200 C206 | S172-V204 WeakPolarHBondContact OG-CG1 3.42Å; E200-V204 HydrophobicContact CG-CG2 4.42Å; E200-V204 WeakPolarHBondContact O-CB 3.38Å; E200-V204 VanDerWaalsContact O-CG2 3.27Å; E200-V204 WeakPolarHBondContact O-CG2 3.3Å; E200-V204 PolarHBondContact O-N 3.12Å; V204-C206 HydrophobicContact CG1-CB 4.11Å |
| 205 | G | 92.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 45.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A201 A202 K203 P207 | A201-G205 PolarHBondContact O-N 3.18Å; A202-G205 PolarHBondContact O-N 3.11Å; K203-G205 PolarHBondContact O-N 3.15Å; G205-P207 VanDerWaalsContact O-CD 3.28Å; G205-P207 WeakPolarHBondContact O-CD 3.29Å |
| 206 | C | 93.6 | Very high | 96 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | trans | -104.6 | 98 | 175.9 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | A201 V204 A208 I209 L210 | A201-C206 PolarHBondContact O-N 2.97Å; V204-C206 HydrophobicContact CG1-CB 4.11Å; C206-A208 VanDerWaalsContact C-N 3.27Å; C206-A208 PolarHBondContact O-N 2.65Å; C206-I209 HydrophobicContact CB-CB 4.16Å; C206-I209 HydrophobicContact CB-CD1 4.09Å; C206-I209 HydrophobicContact CB-CG1 4.29Å; C206-I209 PolarHBondContact O-N 3.33Å; C206-L210 WeakPolarHBondContact O-CB 3.34Å; C206-L210 PolarHBondContact O-N 2.98Å | ||
| 207 | P | 94 | Very high | 96 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.5 | -39.7 | -178.3 | -26.4 | 32.8 | 0 | 0 | 0 | 113.5 | G205 L210 M211 E241 I245 | G205-P207 VanDerWaalsContact O-CD 3.28Å; G205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-L210 PolarHBondContact O-N 3.48Å; P207-M211 VanDerWaalsContact O-CB 3.31Å; P207-M211 WeakPolarHBondContact O-CB 3.34Å; P207-M211 VanDerWaalsContact O-CG 3.27Å; P207-M211 WeakPolarHBondContact O-CG 3.32Å; P207-M211 PolarHBondContact O-N 3.33Å; P207-E241 HydrophobicContact CG-CB 3.93Å; P207-E241 WeakPolarHBondContact CG-OE2 3.33Å; P207-I245 HydrophobicContact CB-CD1 3.54Å; P207-I245 HydrophobicContact CG-CD1 4.5Å |
| 208 | A | 96.3 | Very high | 96 | Very high | 58 Ų | 58 | 33.9 Ų | 33.9 | 48% | 0.479 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.5 | -45.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C206 L212 | C206-A208 VanDerWaalsContact C-N 3.27Å; C206-A208 PolarHBondContact O-N 2.65Å; A208-L212 WeakPolarHBondContact O-CB 3.31Å; A208-L212 PolarHBondContact O-N 3.19Å |
| 209 | I | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 176.3 | -68 | 175.2 | 0 | 0 | 0 | 110.2 | V169 V177 A201 C206 M211 L212 L213 | V169-I209 HydrophobicContact CB-CG2 4.37Å; V169-I209 HydrophobicContact CG1-CG2 3.98Å; V169-I209 HydrophobicContact CG2-CG2 3.76Å; V177-I209 HydrophobicContact CG1-CG2 4.25Å; V177-I209 HydrophobicContact CG2-CD1 4.22Å; V177-I209 HydrophobicContact CG2-CG1 4.41Å; V177-I209 HydrophobicContact CG2-CG2 4.27Å; A201-I209 HydrophobicContact CB-CG2 3.92Å; C206-I209 HydrophobicContact CB-CB 4.16Å; C206-I209 HydrophobicContact CB-CD1 4.09Å; C206-I209 HydrophobicContact CB-CG1 4.29Å; C206-I209 PolarHBondContact O-N 3.33Å; I209-M211 PolarHBondContact O-N 3.45Å; I209-L212 WeakPolarHBondContact O-CB 3.46Å; I209-L212 PolarHBondContact O-N 2.87Å; I209-L212 VanDerWaalsContact O-N 3.14Å; I209-L213 HydrophobicContact CG2-CD1 3.88Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.5Å; I209-L213 PolarHBondContact O-N 2.91Å |
| 210 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 179.1 | -173.6 | 60 | 0 | 0 | 0 | 111.6 | T198 A201 C206 P207 L212 L213 L214 A242 I245 L246 | T198-L210 HydrophobicContact CG2-CD1 3.74Å; A201-L210 HydrophobicContact CB-CB 4.27Å; A201-L210 HydrophobicContact CB-CD1 4.14Å; C206-L210 WeakPolarHBondContact O-CB 3.34Å; C206-L210 PolarHBondContact O-N 2.98Å; P207-L210 PolarHBondContact O-N 3.48Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.3Å; L210-L214 HydrophobicContact CG-CD1 4.18Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.33Å; L210-A242 HydrophobicContact CD2-CB 3.76Å; L210-I245 HydrophobicContact CD2-CB 4.21Å; L210-I245 HydrophobicContact CD2-CG2 3.98Å; L210-I245 HydrophobicContact CG-CG2 4.12Å; L210-L246 HydrophobicContact CD1-CD2 4.19Å; L210-L246 HydrophobicContact CD2-CD1 4.36Å; L210-L246 HydrophobicContact CD2-CD2 4.39Å; L210-L246 HydrophobicContact CD2-CG 4.05Å |
| 211 | M | 97.3 | Very high | 95.8 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 173.9 | -77.5 | -61.4 | -58.7 | 0 | 0 | 112.6 | P207 I209 R215 I245 H249 | P207-M211 VanDerWaalsContact O-CB 3.31Å; P207-M211 WeakPolarHBondContact O-CB 3.34Å; P207-M211 VanDerWaalsContact O-CG 3.27Å; P207-M211 WeakPolarHBondContact O-CG 3.32Å; P207-M211 PolarHBondContact O-N 3.33Å; I209-M211 PolarHBondContact O-N 3.45Å; M211-R215 WeakPolarHBondContact O-CB 3.5Å; M211-R215 VanDerWaalsContact O-CG 3.26Å; M211-R215 WeakPolarHBondContact O-CG 3.28Å; M211-R215 PolarHBondContact O-N 2.86Å; M211-I245 HydrophobicContact CG-CD1 3.91Å; M211-I245 HydrophobicContact CG-CG1 4.41Å; M211-I245 HydrophobicContact CG-CG2 4.26Å; M211-I245 HydrophobicContact SD-CD1 4.31Å; M211-I245 HydrophobicContact SD-CG1 4.15Å; M211-I245 HydrophobicContact SD-CG2 3.58Å; M211-I245 VanDerWaalsContact SD-CG2 3.58Å; M211-H249 PolarHBondContact SD-CE1 3.33Å |
| 212 | L | 96.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.2 | -177.8 | 65.8 | 0 | 0 | 0 | 110.8 | V177 H178 I181 A208 I209 L210 L214 R215 H216 | V177-L212 HydrophobicContact CB-CD2 4.34Å; V177-L212 HydrophobicContact CG1-CD2 3.74Å; H178-L212 HydrophobicContact CB-CD2 3.9Å; I181-L212 HydrophobicContact CD1-CD2 4.09Å; I181-L212 HydrophobicContact CD1-CG 3.92Å; A208-L212 WeakPolarHBondContact O-CB 3.31Å; A208-L212 PolarHBondContact O-N 3.19Å; I209-L212 WeakPolarHBondContact O-CB 3.46Å; I209-L212 PolarHBondContact O-N 2.87Å; I209-L212 VanDerWaalsContact O-N 3.14Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 PolarHBondContact O-N 2.92Å; L212-L214 PolarHBondContact O-N 3.03Å; L212-R215 PolarHBondContact O-N 3.49Å; L212-H216 PolarHBondContact O-CD2 3.4Å; L212-H216 PolarHBondContact O-N 3.13Å |
| 213 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.2 | -65 | 167.9 | 0 | 0 | 0 | 111.2 | L165 V169 V177 I181 V187 A197 A201 I209 L210 R215 H216 G217 A218 | L165-L213 HydrophobicContact CD1-CD2 4.43Å; L165-L213 HydrophobicContact CD2-CD2 4.23Å; V169-L213 HydrophobicContact CG2-CD1 4.28Å; V177-L213 HydrophobicContact CG1-CD2 4.38Å; I181-L213 HydrophobicContact CD1-CD2 4.03Å; V187-L213 HydrophobicContact CG1-CB 4.09Å; V187-L213 HydrophobicContact CG1-CD2 3.86Å; A197-L213 HydrophobicContact CB-CD1 4.02Å; A197-L213 HydrophobicContact CB-CD2 3.93Å; A197-L213 WeakPolarHBondContact O-CD1 3.21Å; A201-L213 HydrophobicContact CB-CD1 3.79Å; I209-L213 HydrophobicContact CG2-CD1 3.88Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.5Å; I209-L213 PolarHBondContact O-N 2.91Å; L210-L213 PolarHBondContact O-N 3.3Å; L213-R215 PolarHBondContact O-N 3.45Å; L213-H216 CarbonylContact O-C 3.55Å; L213-H216 PolarHBondContact O-N 3.07Å; L213-H216 VanDerWaalsContact O-N 3.12Å; L213-G217 PolarHBondContact O-N 2.89Å; L213-A218 VanDerWaalsContact C-CB 3.46Å; L213-A218 HydrophobicContact CB-CB 4Å; L213-A218 VanDerWaalsContact O-CB 3.26Å; L213-A218 WeakPolarHBondContact O-CB 3.32Å; L213-A218 PolarHBondContact O-N 3.36Å |
| 214 | L | 96.7 | Very high | 95.6 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 178.6 | -67.8 | 169.6 | 0 | 0 | 0 | 112.7 | L210 L212 H216 G217 A218 V220 I245 H249 | L210-L214 HydrophobicContact CG-CD1 4.18Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.33Å; L212-L214 PolarHBondContact O-N 3.03Å; L214-H216 PolarHBondContact O-N 3.47Å; L214-G217 PolarHBondContact O-N 3.42Å; L214-A218 HydrophobicContact CD2-CB 4.13Å; L214-V220 HydrophobicContact CD2-CG1 3.51Å; L214-I245 HydrophobicContact CD1-CG2 3.58Å; L214-H249 HydrophobicContact CD1-CB 4.24Å |
| 215 | R | 96.1 | Very high | 95.5 | Very high | 194 Ų | 194 | 46 Ų | 46 | 73% | 0.732 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -26.3 | 175.6 | -76.4 | 176.3 | 179.7 | -177.6 | 2.6 | 113.3 | M211 L212 L213 | M211-R215 WeakPolarHBondContact O-CB 3.5Å; M211-R215 VanDerWaalsContact O-CG 3.26Å; M211-R215 WeakPolarHBondContact O-CG 3.28Å; M211-R215 PolarHBondContact O-N 2.86Å; L212-R215 PolarHBondContact O-N 3.49Å; L213-R215 PolarHBondContact O-N 3.45Å |
| 216 | H | 96.1 | Very high | 95.6 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 40% | 0.398 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 21.4 | 179.3 | -72.8 | -81.9 | 0 | 0 | 0 | 113.3 | I181 V187 L212 L213 L214 | I181-H216 HydrophobicContact CG2-CB 3.86Å; I181-H216 VanDerWaalsContact CG2-CG 3.49Å; V187-H216 HydrophobicContact CG2-CB 4.06Å; L212-H216 PolarHBondContact O-CD2 3.4Å; L212-H216 PolarHBondContact O-N 3.13Å; L213-H216 CarbonylContact O-C 3.55Å; L213-H216 PolarHBondContact O-N 3.07Å; L213-H216 VanDerWaalsContact O-N 3.12Å; L214-H216 PolarHBondContact O-N 3.47Å |
| 217 | G | 93.4 | Very high | 95.7 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 13 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | L213 L214 | L213-G217 PolarHBondContact O-N 2.89Å; L214-G217 PolarHBondContact O-N 3.42Å |
| 218 | A | 95.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | trans | -60.3 | 139 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V187 E188 T198 L213 L214 | V187-A218 HydrophobicContact CG1-CB 3.55Å; E188-A218 WeakPolarHBondContact OE1-CA 3.42Å; T198-A218 HydrophobicContact CG2-CB 4.5Å; T198-A218 WeakPolarHBondContact OG1-CB 3.38Å; L213-A218 VanDerWaalsContact C-CB 3.46Å; L213-A218 HydrophobicContact CB-CB 4Å; L213-A218 VanDerWaalsContact O-CB 3.26Å; L213-A218 WeakPolarHBondContact O-CB 3.32Å; L213-A218 PolarHBondContact O-N 3.36Å; L214-A218 HydrophobicContact CD2-CB 4.13Å | ||
| 219 | Q | 95.2 | Very high | 95.9 | Very high | 114 Ų | 114 | 44.3 Ų | 44.3 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | trans | -100.9 | 127.9 | 177.6 | -69.7 | -175.9 | 45.2 | 0 | 0 | 110.7 | E188 T221 V222 | E188-Q219 PolarHBondContact OE1-N 3.08Å; Q219-T221 PolarHBondContact O-N 2.94Å; Q219-V222 HydrophobicContact CB-CG2 3.65Å | ||
| 220 | V | 95.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.8 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | L214 L246 H249 | L214-V220 HydrophobicContact CD2-CG1 3.51Å; V220-L246 HydrophobicContact CB-CD2 4.37Å; V220-L246 HydrophobicContact CG1-CD2 3.84Å; V220-H249 HydrophobicContact CG1-CB 3.95Å |
| 221 | T | 95 | Very high | 95.9 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 53% | 0.534 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -5.1 | -175.1 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | Q219 | Q219-T221 PolarHBondContact O-N 2.94Š|
| 222 | V | 95.5 | Very high | 95.9 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | trans | -66.5 | 140.1 | -178 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | E188 T196 H199 Q219 T229 | E188-V222 WeakPolarHBondContact OE2-CG2 3.24Å; T196-V222 HydrophobicContact CG2-CG1 3.95Å; H199-V222 PolarHBondContact NE2-O 3.11Å; Q219-V222 HydrophobicContact CB-CG2 3.65Å; V222-T229 WeakPolarHBondContact O-CA 3.44Å | ||
| 223 | R | 95.7 | Very high | 96 | Very high | 120 Ų | 120 | 41.2 Ų | 41.2 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -115.7 | 138.5 | -176.8 | -67.1 | 176.7 | 176.4 | -128.5 | -0.5 | 110.2 | G227 V228 T229 R256 | R223-G227 PolarHBondContact NH1-O 3.13Å; R223-V228 CarbonylContact C-O 3.43Å; R223-V228 WeakPolarHBondContact CA-O 3.49Å; R223-T229 HydrophobicContact CG-CG2 3.93Å; R223-R256 PolarHBondContact NH1-O 3.25Å; R223-R256 PolarHBondContact NH2-O 3.47Å |
| 224 | D | 94.8 | Very high | 96 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | trans | -73.3 | -175.1 | 170.5 | 78.8 | -5 | 0 | 0 | 0 | 112.1 | W195 H226 G227 V228 | W195-D224 HydrophobicContact CE3-CB 4.02Å; D224-H226 PolarHBondContact O-N 2.97Å; D224-H226 VanDerWaalsContact O-N 3.17Å; D224-H226 WeakPolarHBondContact OD1-CA 3.49Å; D224-H226 WeakPolarHBondContact OD1-CB 3.42Å; D224-H226 PolarHBondContact OD1-N 3.44Å; D224-H226 IonicContact OD2-CD2 3.66Å; D224-G227 PolarHBondContact O-N 2.91Å; D224-G227 PolarHBondContact OD1-N 3.06Å; D224-G227 VanDerWaalsContact OD1-N 3.07Å; D224-V228 PolarHBondContact N-O 3.49Å; D224-V228 WeakPolarHBondContact OD1-CB 3.48Å; D224-V228 PolarHBondContact OD1-N 2.76Å | ||
| 225 | G | 93.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T193 | T193-G225 WeakPolarHBondContact O-CA 3.4Å; T193-G225 PolarHBondContact O-N 3.46Å |
| 226 | H | 93.9 | Very high | 96.2 | Very high | 71 Ų | 71 | 35.3 Ų | 35.3 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 6.2 | 174.7 | -58.9 | -56.7 | 0 | 0 | 0 | 112.6 | D224 V228 S258 | D224-H226 PolarHBondContact O-N 2.97Å; D224-H226 VanDerWaalsContact O-N 3.17Å; D224-H226 WeakPolarHBondContact OD1-CA 3.49Å; D224-H226 WeakPolarHBondContact OD1-CB 3.42Å; D224-H226 PolarHBondContact OD1-N 3.44Å; D224-H226 IonicContact OD2-CD2 3.66Å; H226-V228 HydrophobicContact CB-CG2 3.94Å; H226-V228 PolarHBondContact O-N 3.4Å; H226-S258 VanDerWaalsContact O-CB 3.3Å; H226-S258 WeakPolarHBondContact O-CB 3.38Å; H226-S258 PolarHBondContact O-N 3.28Å; H226-S258 PolarHBondContact O-OG 3.22Å; H226-S258 VanDerWaalsContact O-OG 3.11Å |
| 227 | G | 95.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 76.3 | 8.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R223 D224 S258 | R223-G227 PolarHBondContact NH1-O 3.13Å; D224-G227 PolarHBondContact O-N 2.91Å; D224-G227 PolarHBondContact OD1-N 3.06Å; D224-G227 VanDerWaalsContact OD1-N 3.07Å; G227-S258 WeakPolarHBondContact CA-OG 3.41Å; G227-S258 PolarHBondContact N-OG 3Å |
| 228 | V | 97 | Very high | 96.5 | Very high | 18 Ų | 18 | 33 Ų | 33 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | trans | -85.7 | 135.9 | -176.8 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | H199 R223 D224 H226 I233 A257 | H199-V228 PolarHBondContact NE2-O 2.85Å; H199-V228 VanDerWaalsContact NE2-O 3.13Å; R223-V228 CarbonylContact C-O 3.43Å; R223-V228 WeakPolarHBondContact CA-O 3.49Å; D224-V228 PolarHBondContact N-O 3.49Å; D224-V228 WeakPolarHBondContact OD1-CB 3.48Å; D224-V228 PolarHBondContact OD1-N 2.76Å; H226-V228 HydrophobicContact CB-CG2 3.94Å; H226-V228 PolarHBondContact O-N 3.4Å; V228-I233 HydrophobicContact CB-CD1 4.21Å; V228-I233 HydrophobicContact CG1-CD1 3.63Å; V228-I233 HydrophobicContact CG1-CG1 4Å; V228-A257 HydrophobicContact CG2-CB 3.73Å | ||
| 229 | T | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -87.5 | 164.7 | 174.6 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | V222 R223 M231 G232 I233 A255 | V222-T229 WeakPolarHBondContact O-CA 3.44Å; R223-T229 HydrophobicContact CG-CG2 3.93Å; T229-M231 PolarHBondContact O-N 3.27Å; T229-M231 PolarHBondContact OG1-N 3.02Å; T229-G232 PolarHBondContact O-N 3.41Å; T229-G232 PolarHBondContact OG1-N 2.92Å; T229-I233 PolarHBondContact O-N 3.26Å; T229-I233 VanDerWaalsContact O-N 3.09Å; T229-A255 HydrophobicContact CG2-CB 4.32Å |
| 230 | A | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.5 | -28.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | T198 H199 A202 I233 A234 L246 | T198-A230 HydrophobicContact CG2-CB 3.84Å; H199-A230 PolarHBondContact CD2-N 3.24Å; H199-A230 PolarHBondContact NE2-N 3.31Å; A202-A230 HydrophobicContact CB-CB 4.03Å; A202-A230 WeakPolarHBondContact CB-O 3.21Å; A230-I233 PolarHBondContact O-N 3.36Å; A230-A234 PolarHBondContact O-N 3.49Å; A230-L246 HydrophobicContact CB-CD1 4.21Å; A230-L246 HydrophobicContact CB-CD2 4.31Å |
| 231 | M | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 174.6 | -170.7 | 179.2 | -78.8 | 0 | 0 | 112.6 | T229 I233 A234 A235 L243 L246 I247 V253 V263 | T229-M231 PolarHBondContact O-N 3.27Å; T229-M231 PolarHBondContact OG1-N 3.02Å; M231-I233 VanDerWaalsContact C-N 3.31Å; M231-I233 PolarHBondContact O-N 3.29Å; M231-A234 PolarHBondContact O-N 3.13Å; M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 3.25Å; M231-L243 HydrophobicContact CG-CD1 3.34Å; M231-L243 HydrophobicContact SD-CD1 4.23Å; M231-L246 HydrophobicContact CB-CD1 4.26Å; M231-L246 HydrophobicContact CE-CB 3.85Å; M231-I247 HydrophobicContact CE-CB 4.3Å; M231-I247 HydrophobicContact CE-CG1 3.5Å; M231-I247 HydrophobicContact SD-CG1 4.33Å; M231-V253 HydrophobicContact SD-CG1 4.11Å; M231-V263 HydrophobicContact CG-CG1 3.8Å; M231-V263 HydrophobicContact CG-CG2 4.33Å; M231-V263 HydrophobicContact SD-CG1 4.2Å; M231-V263 HydrophobicContact SD-CG2 4.34Å |
| 232 | G | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T229 A234 A235 E236 | T229-G232 PolarHBondContact O-N 3.41Å; T229-G232 PolarHBondContact OG1-N 2.92Å; G232-A234 PolarHBondContact O-N 2.81Å; G232-A235 WeakPolarHBondContact O-CB 3.43Å; G232-A235 PolarHBondContact O-N 3.42Å; G232-A235 VanDerWaalsContact O-N 3.16Å; G232-E236 WeakPolarHBondContact O-CB 3.48Å; G232-E236 PolarHBondContact O-N 3.32Å |
| 233 | I | 98 | Very high | 97 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.2 | -59 | -53.7 | 0 | 0 | 0 | 112.2 | W195 A202 K203 V228 T229 A230 M231 A235 E236 H237 | W195-I233 HydrophobicContact CH2-CB 4.44Å; W195-I233 HydrophobicContact CH2-CD1 3.69Å; W195-I233 HydrophobicContact CH2-CG1 3.76Å; W195-I233 HydrophobicContact CH2-CG2 3.79Å; W195-I233 HydrophobicContact CZ2-CG2 4.33Å; W195-I233 HydrophobicContact CZ3-CD1 3.66Å; W195-I233 HydrophobicContact CZ3-CG1 3.92Å; A202-I233 HydrophobicContact CB-CB 4.49Å; A202-I233 HydrophobicContact CB-CG2 4.45Å; K203-I233 HydrophobicContact CB-CG2 3.62Å; V228-I233 HydrophobicContact CB-CD1 4.21Å; V228-I233 HydrophobicContact CG1-CD1 3.63Å; V228-I233 HydrophobicContact CG1-CG1 4Å; T229-I233 PolarHBondContact O-N 3.26Å; T229-I233 VanDerWaalsContact O-N 3.09Å; A230-I233 PolarHBondContact O-N 3.36Å; M231-I233 VanDerWaalsContact C-N 3.31Å; M231-I233 PolarHBondContact O-N 3.29Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 3.14Å; I233-E236 PolarHBondContact O-N 3.11Å; I233-H237 PolarHBondContact O-CD2 3.2Å; I233-H237 PolarHBondContact O-N 3.36Å; I233-H237 VanDerWaalsContact O-N 3.08Å |
| 234 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A202 A230 M231 G232 G238 R239 A242 L243 L246 | A202-A234 HydrophobicContact CB-CB 4.11Å; A230-A234 PolarHBondContact O-N 3.49Å; M231-A234 PolarHBondContact O-N 3.13Å; G232-A234 PolarHBondContact O-N 2.81Å; A234-G238 PolarHBondContact O-N 3.32Å; A234-R239 HydrophobicContact CB-CB 4.29Å; A234-R239 PolarHBondContact O-N 2.97Å; A234-A242 HydrophobicContact CB-CB 4.2Å; A234-L243 HydrophobicContact CB-CB 4.28Å; A234-L243 HydrophobicContact CB-CD1 4.5Å; A234-L246 HydrophobicContact CB-CD1 4.17Å |
| 235 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -47.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M231 G232 I233 H237 G238 V263 D266 A267 S270 L279 | M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 3.25Å; G232-A235 WeakPolarHBondContact O-CB 3.43Å; G232-A235 PolarHBondContact O-N 3.42Å; G232-A235 VanDerWaalsContact O-N 3.16Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 3.14Å; A235-H237 VanDerWaalsContact C-N 3.27Å; A235-H237 PolarHBondContact O-N 2.95Å; A235-G238 PolarHBondContact O-N 3.39Å; A235-G238 VanDerWaalsContact O-N 3.08Å; A235-V263 HydrophobicContact CB-CG1 3.65Å; A235-V263 WeakPolarHBondContact CB-O 3.43Å; A235-D266 HydrophobicContact CB-CB 4.27Å; A235-A267 HydrophobicContact CB-CB 3.91Å; A235-A267 WeakPolarHBondContact O-CA 3.26Å; A235-S270 VanDerWaalsContact O-CB 3.3Å; A235-S270 WeakPolarHBondContact O-CB 3.28Å; A235-S270 PolarHBondContact O-OG 2.88Å; A235-L279 HydrophobicContact CB-CD1 4.49Å |
| 236 | E | 97.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 31.9 Ų | 31.9 | 41% | 0.407 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.6 | -38.4 | 176.6 | -173.5 | -176.6 | 177.5 | 0 | 0 | 112 | G232 I233 D266 S270 | G232-E236 WeakPolarHBondContact O-CB 3.48Å; G232-E236 PolarHBondContact O-N 3.32Å; I233-E236 PolarHBondContact O-N 3.11Å; E236-D266 HydrophobicContact CB-CB 4.19Å; E236-S270 WeakPolarHBondContact O-CB 3.41Å |
| 237 | H | 97.7 | Very high | 97.7 | Very high | 72 Ų | 72 | 29.5 Ų | 29.5 | 33% | 0.333 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.2 | 178.7 | -73.3 | -71 | 0 | 0 | 0 | 114.3 | I233 A235 R239 | I233-H237 PolarHBondContact O-CD2 3.2Å; I233-H237 PolarHBondContact O-N 3.36Å; I233-H237 VanDerWaalsContact O-N 3.08Å; A235-H237 VanDerWaalsContact C-N 3.27Å; A235-H237 PolarHBondContact O-N 2.95Å; H237-R239 VanDerWaalsContact C-N 3.34Å; H237-R239 HydrophobicContact CB-CG 3.96Å; H237-R239 WeakPolarHBondContact O-CD 3.45Å; H237-R239 PolarHBondContact O-N 3.1Å |
| 238 | G | 97.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A234 A235 T240 N272 | A234-G238 PolarHBondContact O-N 3.32Å; A235-G238 PolarHBondContact O-N 3.39Å; A235-G238 VanDerWaalsContact O-N 3.08Å; G238-T240 PolarHBondContact O-N 2.98Å; G238-N272 PolarHBondContact O-ND2 2.87Å |
| 239 | R | 98 | Very high | 97.8 | Very high | 104 Ų | 104 | 38.2 Ų | 38.2 | 39% | 0.392 | 18% | 0.183 | S | C | . | . | trans | -94.4 | 78.9 | -178.7 | -54.1 | -51.4 | -167.1 | -174.5 | 0.3 | 111.2 | A202 K203 A234 H237 E241 A242 L243 | A202-R239 VanDerWaalsContact O-CG 3.29Å; A202-R239 WeakPolarHBondContact O-CG 3.32Å; K203-R239 PolarHBondContact O-NE 3.48Å; K203-R239 PolarHBondContact O-NH2 3.41Å; A234-R239 HydrophobicContact CB-CB 4.29Å; A234-R239 PolarHBondContact O-N 2.97Å; H237-R239 VanDerWaalsContact C-N 3.34Å; H237-R239 HydrophobicContact CB-CG 3.96Å; H237-R239 WeakPolarHBondContact O-CD 3.45Å; H237-R239 PolarHBondContact O-N 3.1Å; R239-E241 PolarHBondContact O-N 2.87Å; R239-A242 HydrophobicContact CB-CB 3.9Å; R239-A242 PolarHBondContact O-N 3.4Å; R239-L243 WeakPolarHBondContact O-CB 3.26Å; R239-L243 PolarHBondContact O-N 2.92Å | ||
| 240 | T | 97.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 23% | 0.233 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.3 | -45.6 | -173.9 | -43.1 | 0 | 0 | 0 | 0 | 113.7 | G238 L243 E244 N272 D274 L278 | G238-T240 PolarHBondContact O-N 2.98Å; T240-L243 WeakPolarHBondContact O-CB 3.34Å; T240-L243 PolarHBondContact O-N 3.44Å; T240-E244 PolarHBondContact O-N 3.19Å; T240-N272 PolarHBondContact OG1-ND2 3.08Å; T240-N272 PolarHBondContact OG1-OD1 2.93Å; T240-D274 HydrophobicContact CG2-CB 3.73Å; T240-L278 HydrophobicContact CG2-CD2 4.31Å |
| 241 | E | 97.9 | Very high | 97.7 | Very high | 129 Ų | 129 | 41 Ų | 41 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.5 | -39.6 | -179.1 | -64.7 | -179 | -170.5 | 0 | 0 | 112.5 | P207 R239 L243 E244 I245 | P207-E241 HydrophobicContact CG-CB 3.93Å; P207-E241 WeakPolarHBondContact CG-OE2 3.33Å; R239-E241 PolarHBondContact O-N 2.87Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-E244 PolarHBondContact O-N 3.1Å; E241-I245 WeakPolarHBondContact O-CG1 3.34Å; E241-I245 PolarHBondContact O-N 2.81Å |
| 242 | A | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L210 A234 R239 I245 L246 | L210-A242 HydrophobicContact CD2-CB 3.76Å; A234-A242 HydrophobicContact CB-CB 4.2Å; R239-A242 HydrophobicContact CB-CB 3.9Å; R239-A242 PolarHBondContact O-N 3.4Å; A242-I245 PolarHBondContact O-N 3.37Å; A242-L246 WeakPolarHBondContact O-CD1 3.31Å; A242-L246 VanDerWaalsContact O-CG 3.26Å; A242-L246 WeakPolarHBondContact O-CG 3.4Å; A242-L246 PolarHBondContact O-N 3.44Å |
| 243 | L | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 176.1 | -173.1 | 57.5 | 0 | 0 | 0 | 111.5 | M231 A234 R239 T240 E241 I245 L246 I247 V263 C275 L278 L279 | M231-L243 HydrophobicContact CG-CD1 3.34Å; M231-L243 HydrophobicContact SD-CD1 4.23Å; A234-L243 HydrophobicContact CB-CB 4.28Å; A234-L243 HydrophobicContact CB-CD1 4.5Å; R239-L243 WeakPolarHBondContact O-CB 3.26Å; R239-L243 PolarHBondContact O-N 2.92Å; T240-L243 WeakPolarHBondContact O-CB 3.34Å; T240-L243 PolarHBondContact O-N 3.44Å; E241-L243 VanDerWaalsContact C-N 3.31Å; L243-I245 PolarHBondContact O-N 3.42Å; L243-L246 PolarHBondContact O-N 2.9Å; L243-I247 HydrophobicContact CG-CD1 4.28Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.42Å; L243-I247 PolarHBondContact O-N 3.38Å; L243-V263 HydrophobicContact CD1-CG1 4.46Å; L243-C275 HydrophobicContact CD2-CB 3.75Å; L243-L278 HydrophobicContact CB-CD2 4.35Å; L243-L278 HydrophobicContact CD2-CD2 4.34Å; L243-L278 HydrophobicContact CG-CD2 4.14Å; L243-L279 HydrophobicContact CD1-CD2 4.21Å; L243-L279 HydrophobicContact CD2-CD1 4.1Å; L243-L279 HydrophobicContact CD2-CD2 4.27Å; L243-L279 HydrophobicContact CD2-CG 3.94Å |
| 244 | E | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 176.2 | -172 | 179.3 | -172.1 | 0 | 0 | 112 | T240 E241 L246 I247 Q248 L278 | T240-E244 PolarHBondContact O-N 3.19Å; E241-E244 PolarHBondContact O-N 3.1Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.42Å; E244-I247 PolarHBondContact O-N 3.24Å; E244-Q248 VanDerWaalsContact O-CG 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.42Å; E244-Q248 PolarHBondContact O-N 3.08Å; E244-Q248 PolarHBondContact OE1-NE2 3.24Å; E244-L278 HydrophobicContact CB-CD2 3.88Å |
| 245 | I | 98.2 | Very high | 97.7 | Very high | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 176.4 | -74.1 | 163.9 | 0 | 0 | 0 | 111.2 | P207 L210 M211 L214 E241 A242 L243 I247 Q248 H249 | P207-I245 HydrophobicContact CB-CD1 3.54Å; P207-I245 HydrophobicContact CG-CD1 4.5Å; L210-I245 HydrophobicContact CD2-CB 4.21Å; L210-I245 HydrophobicContact CD2-CG2 3.98Å; L210-I245 HydrophobicContact CG-CG2 4.12Å; M211-I245 HydrophobicContact CG-CD1 3.91Å; M211-I245 HydrophobicContact CG-CG1 4.41Å; M211-I245 HydrophobicContact CG-CG2 4.26Å; M211-I245 HydrophobicContact SD-CD1 4.31Å; M211-I245 HydrophobicContact SD-CG1 4.15Å; M211-I245 HydrophobicContact SD-CG2 3.58Å; M211-I245 VanDerWaalsContact SD-CG2 3.58Å; L214-I245 HydrophobicContact CD1-CG2 3.58Å; E241-I245 WeakPolarHBondContact O-CG1 3.34Å; E241-I245 PolarHBondContact O-N 2.81Å; A242-I245 PolarHBondContact O-N 3.37Å; L243-I245 PolarHBondContact O-N 3.42Å; I245-I247 VanDerWaalsContact C-N 3.34Å; I245-I247 PolarHBondContact O-N 3.3Å; I245-Q248 PolarHBondContact O-N 2.7Å; I245-H249 PolarHBondContact O-N 2.79Å; I245-H249 VanDerWaalsContact O-N 3.07Å; I245-H249 PolarHBondContact O-ND1 2.96Å |
| 246 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | -179.3 | -70.2 | 165.6 | 0 | 0 | 0 | 111.9 | A202 L210 V220 A230 M231 A234 A242 L243 E244 H249 G250 G251 | A202-L246 HydrophobicContact CB-CD1 4.35Å; L210-L246 HydrophobicContact CD1-CD2 4.19Å; L210-L246 HydrophobicContact CD2-CD1 4.36Å; L210-L246 HydrophobicContact CD2-CD2 4.39Å; L210-L246 HydrophobicContact CD2-CG 4.05Å; V220-L246 HydrophobicContact CB-CD2 4.37Å; V220-L246 HydrophobicContact CG1-CD2 3.84Å; A230-L246 HydrophobicContact CB-CD1 4.21Å; A230-L246 HydrophobicContact CB-CD2 4.31Å; M231-L246 HydrophobicContact CB-CD1 4.26Å; M231-L246 HydrophobicContact CE-CB 3.85Å; A234-L246 HydrophobicContact CB-CD1 4.17Å; A242-L246 WeakPolarHBondContact O-CD1 3.31Å; A242-L246 VanDerWaalsContact O-CG 3.26Å; A242-L246 WeakPolarHBondContact O-CG 3.4Å; A242-L246 PolarHBondContact O-N 3.44Å; L243-L246 PolarHBondContact O-N 2.9Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.42Å; L246-H249 PolarHBondContact O-N 2.78Å; L246-G250 PolarHBondContact O-N 2.96Å; L246-G251 PolarHBondContact O-N 3.28Å |
| 247 | I | 97.9 | Very high | 97.7 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 173.8 | -67.2 | 170.2 | 0 | 0 | 0 | 110.3 | M231 L243 E244 I245 H249 G250 V253 L278 L279 H282 | M231-I247 HydrophobicContact CE-CB 4.3Å; M231-I247 HydrophobicContact CE-CG1 3.5Å; M231-I247 HydrophobicContact SD-CG1 4.33Å; L243-I247 HydrophobicContact CG-CD1 4.28Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.42Å; L243-I247 PolarHBondContact O-N 3.38Å; E244-I247 PolarHBondContact O-N 3.24Å; I245-I247 VanDerWaalsContact C-N 3.34Å; I245-I247 PolarHBondContact O-N 3.3Å; I247-H249 PolarHBondContact O-N 2.96Å; I247-G250 PolarHBondContact O-N 3.11Å; I247-V253 HydrophobicContact CD1-CG1 3.95Å; I247-V253 HydrophobicContact CG1-CG1 3.84Å; I247-L278 HydrophobicContact CD1-CD2 4.04Å; I247-L278 HydrophobicContact CD1-CG 3.92Å; I247-L279 HydrophobicContact CD1-CD2 4.46Å; I247-H282 HydrophobicContact CD1-CB 4.45Å; I247-H282 HydrophobicContact CG2-CB 4.31Å |
| 248 | Q | 97.4 | Very high | 97.6 | Very high | 129 Ų | 129 | 48.3 Ų | 48.3 | 60% | 0.603 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.6 | -26.9 | 179.5 | -71.2 | 175.3 | 6 | 0 | 0 | 113.1 | E244 I245 G250 | E244-Q248 VanDerWaalsContact O-CG 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.42Å; E244-Q248 PolarHBondContact O-N 3.08Å; E244-Q248 PolarHBondContact OE1-NE2 3.24Å; I245-Q248 PolarHBondContact O-N 2.7Å; Q248-G250 VanDerWaalsContact C-N 3.34Å |
| 249 | H | 97.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.366 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 18 | 177 | -67.3 | 75.4 | 0 | 0 | 0 | 113.4 | M211 L214 V220 I245 L246 I247 | M211-H249 PolarHBondContact SD-CE1 3.33Å; L214-H249 HydrophobicContact CD1-CB 4.24Å; V220-H249 HydrophobicContact CG1-CB 3.95Å; I245-H249 PolarHBondContact O-N 2.79Å; I245-H249 VanDerWaalsContact O-N 3.07Å; I245-H249 PolarHBondContact O-ND1 2.96Å; L246-H249 PolarHBondContact O-N 2.78Å; I247-H249 PolarHBondContact O-N 2.96Å |
| 250 | G | 95.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 61% | 0.608 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 19.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L246 I247 Q248 | L246-G250 PolarHBondContact O-N 2.96Å; I247-G250 PolarHBondContact O-N 3.11Å; Q248-G250 VanDerWaalsContact C-N 3.34Å |
| 251 | G | 96.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | trans | -67.3 | 142.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L246 V253 | L246-G251 PolarHBondContact O-N 3.28Å; G251-V253 PolarHBondContact O-N 3.3Å | ||
| 252 | D | 97.9 | Very high | 97.5 | Very high | 95 Ų | 95 | 39.8 Ų | 39.8 | 51% | 0.508 | 22% | 0.224 | S | C | . | . | trans | -84.9 | 110 | -179.4 | 178.2 | 14.5 | 0 | 0 | 0 | 111.2 | N254 A255 | D252-N254 PolarHBondContact O-N 3.07Å; D252-N254 WeakPolarHBondContact OD1-CA 3.46Å; D252-N254 WeakPolarHBondContact OD1-CB 3.25Å; D252-N254 PolarHBondContact OD1-N 3.07Å; D252-A255 HydrophobicContact CB-CB 4.28Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 3.42Å; D252-A255 PolarHBondContact OD2-N 3.01Å | ||
| 253 | V | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.2 | 177 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | M231 I247 G251 L279 H282 A284 | M231-V253 HydrophobicContact SD-CG1 4.11Å; I247-V253 HydrophobicContact CD1-CG1 3.95Å; I247-V253 HydrophobicContact CG1-CG1 3.84Å; G251-V253 PolarHBondContact O-N 3.3Å; V253-L279 HydrophobicContact CB-CD2 3.92Å; V253-L279 HydrophobicContact CG1-CD2 3.86Å; V253-H282 HydrophobicContact CG1-CB 4.03Å; V253-H282 WeakPolarHBondContact CG2-O 3.18Å; V253-A284 HydrophobicContact CB-CB 4.23Å; V253-A284 HydrophobicContact CG2-CB 4.2Å |
| 254 | N | 98.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 33% | 0.326 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 11.6 | 175 | -66.9 | -68.1 | 0 | 0 | 0 | 112.6 | D252 G283 A284 N285 | D252-N254 PolarHBondContact O-N 3.07Å; D252-N254 WeakPolarHBondContact OD1-CA 3.46Å; D252-N254 WeakPolarHBondContact OD1-CB 3.25Å; D252-N254 PolarHBondContact OD1-N 3.07Å; N254-G283 PolarHBondContact ND2-O 3.29Å; N254-A284 WeakPolarHBondContact OD1-CA 3.35Å; N254-N285 PolarHBondContact OD1-N 3.12Å |
| 255 | A | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | trans | -54.9 | 145.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T229 D252 T262 V263 | T229-A255 HydrophobicContact CG2-CB 4.32Å; D252-A255 HydrophobicContact CB-CB 4.28Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 3.42Å; D252-A255 PolarHBondContact OD2-N 3.01Å; A255-T262 WeakPolarHBondContact O-CA 3.35Å; A255-V263 HydrophobicContact CB-CG2 4.06Å; A255-V263 PolarHBondContact O-N 3.23Å | ||
| 256 | R | 97.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 37 Ų | 37 | 23% | 0.226 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -123 | 132.8 | -177.5 | -68.4 | 172.6 | 66.7 | 82.7 | -8.6 | 111 | R223 G260 D261 T262 A289 | R223-R256 PolarHBondContact NH1-O 3.25Å; R223-R256 PolarHBondContact NH2-O 3.47Å; R256-G260 PolarHBondContact NH1-O 2.96Å; R256-G260 VanDerWaalsContact NH2-CA 3.28Å; R256-G260 PolarHBondContact NH2-O 3.2Å; R256-D261 CarbonylContact C-O 3.53Å; R256-D261 VanDerWaalsContact CA-O 3.23Å; R256-D261 WeakPolarHBondContact CA-O 3.4Å; R256-T262 HydrophobicContact CG-CG2 4.06Å; R256-A289 PolarHBondContact NH1-O 3.39Å; R256-A289 PolarHBondContact NH2-O 3.06Å |
| 257 | A | 96.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | trans | -66.9 | 170.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V228 N259 G260 D261 | V228-A257 HydrophobicContact CG2-CB 3.73Å; A257-N259 WeakPolarHBondContact CB-OD1 3.36Å; A257-N259 PolarHBondContact O-N 3.29Å; A257-G260 WeakPolarHBondContact O-CA 3.19Å; A257-G260 PolarHBondContact O-N 2.94Å; A257-D261 HydrophobicContact CB-CB 4.33Å; A257-D261 PolarHBondContact N-O 3.42Å | ||
| 258 | S | 97.2 | Very high | 97.7 | Very high | 73 Ų | 73 | 36.1 Ų | 36.1 | 51% | 0.51 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.1 | -178 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | H226 G227 G260 Y291 | H226-S258 VanDerWaalsContact O-CB 3.3Å; H226-S258 WeakPolarHBondContact O-CB 3.38Å; H226-S258 PolarHBondContact O-N 3.28Å; H226-S258 PolarHBondContact O-OG 3.22Å; H226-S258 VanDerWaalsContact O-OG 3.11Å; G227-S258 WeakPolarHBondContact CA-OG 3.41Å; G227-S258 PolarHBondContact N-OG 3Å; S258-G260 VanDerWaalsContact C-N 3.25Å; S258-Y291 VanDerWaalsContact O-CE2 3.29Å; S258-Y291 WeakPolarHBondContact O-CE2 3.4Å |
| 259 | N | 94.7 | Very high | 97.7 | Very high | 78 Ų | 78 | 30.6 Ų | 30.6 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 3.7 | 172.9 | 67 | -5.5 | 0 | 0 | 0 | 113.1 | A257 D261 Y291 | A257-N259 WeakPolarHBondContact CB-OD1 3.36Å; A257-N259 PolarHBondContact O-N 3.29Å; N259-D261 VanDerWaalsContact C-N 3.33Å; N259-D261 VanDerWaalsContact ND2-CG 3.29Å; N259-D261 PolarHBondContact ND2-OD2 3.13Å; N259-D261 VanDerWaalsContact OD1-CB 3.28Å; N259-D261 WeakPolarHBondContact OD1-CB 3.41Å; N259-D261 VanDerWaalsContact OD1-CG 3.26Å; N259-D261 PolarHBondContact OD1-N 3.05Å; N259-D261 PolarHBondContact OD1-OD2 2.98Å; N259-Y291 VanDerWaalsContact O-CB 3.31Å; N259-Y291 WeakPolarHBondContact O-CB 3.39Å; N259-Y291 WeakPolarHBondContact O-CD2 3.32Å; N259-Y291 PolarHBondContact O-N 2.99Å |
| 260 | G | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | 81.2 | 3.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | R256 A257 S258 T262 S290 | R256-G260 PolarHBondContact NH1-O 2.96Å; R256-G260 VanDerWaalsContact NH2-CA 3.28Å; R256-G260 PolarHBondContact NH2-O 3.2Å; A257-G260 WeakPolarHBondContact O-CA 3.19Å; A257-G260 PolarHBondContact O-N 2.94Å; S258-G260 VanDerWaalsContact C-N 3.25Å; G260-T262 PolarHBondContact O-N 3.07Å; G260-S290 WeakPolarHBondContact O-CA 3.2Å | ||
| 261 | D | 98 | Very high | 97.6 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | trans | -62.3 | 135.3 | 173.9 | -69.5 | -13.3 | 0 | 0 | 0 | 109.6 | R256 A257 N259 Y265 S290 | R256-D261 CarbonylContact C-O 3.53Å; R256-D261 VanDerWaalsContact CA-O 3.23Å; R256-D261 WeakPolarHBondContact CA-O 3.4Å; A257-D261 HydrophobicContact CB-CB 4.33Å; A257-D261 PolarHBondContact N-O 3.42Å; N259-D261 VanDerWaalsContact C-N 3.33Å; N259-D261 VanDerWaalsContact ND2-CG 3.29Å; N259-D261 PolarHBondContact ND2-OD2 3.13Å; N259-D261 VanDerWaalsContact OD1-CB 3.28Å; N259-D261 WeakPolarHBondContact OD1-CB 3.41Å; N259-D261 VanDerWaalsContact OD1-CG 3.26Å; N259-D261 PolarHBondContact OD1-N 3.05Å; N259-D261 PolarHBondContact OD1-OD2 2.98Å; D261-Y265 HydrophobicContact CB-CD1 3.71Å; D261-Y265 HydrophobicContact CB-CE1 4.21Å; D261-Y265 HydrophobicContact CB-CG 4.39Å; D261-Y265 VanDerWaalsContact CG-CD1 3.44Å; D261-Y265 VanDerWaalsContact CG-CE1 3.41Å; D261-Y265 WeakPolarHBondContact OD1-CE1 3.16Å; D261-Y265 WeakPolarHBondContact OD2-CE1 3.47Å; D261-S290 WeakPolarHBondContact OD1-CB 3.46Å; D261-S290 PolarHBondContact OD1-OG 3.3Å | ||
| 262 | T | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 158.5 | 178 | 59.9 | 0 | 0 | 0 | 0 | 110 | A255 R256 G260 L264 Y265 D266 V288 | A255-T262 WeakPolarHBondContact O-CA 3.35Å; R256-T262 HydrophobicContact CG-CG2 4.06Å; G260-T262 PolarHBondContact O-N 3.07Å; T262-L264 PolarHBondContact O-N 2.7Å; T262-L264 VanDerWaalsContact O-N 3.13Å; T262-Y265 WeakPolarHBondContact O-CA 3.27Å; T262-Y265 WeakPolarHBondContact O-CB 3.46Å; T262-Y265 PolarHBondContact O-N 3.37Å; T262-Y265 WeakPolarHBondContact OG1-CB 3.42Å; T262-Y265 PolarHBondContact OG1-N 3.21Å; T262-Y265 VanDerWaalsContact OG1-N 3.13Å; T262-D266 PolarHBondContact O-N 3.39Å; T262-V288 HydrophobicContact CG2-CB 4.12Å; T262-V288 HydrophobicContact CG2-CG1 4.08Å |
| 263 | V | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.4 | -37.6 | 173 | -176.1 | 0 | 0 | 0 | 0 | 112 | M231 A235 L243 A255 Y265 D266 A267 L279 | M231-V263 HydrophobicContact CG-CG1 3.8Å; M231-V263 HydrophobicContact CG-CG2 4.33Å; M231-V263 HydrophobicContact SD-CG1 4.2Å; M231-V263 HydrophobicContact SD-CG2 4.34Å; A235-V263 HydrophobicContact CB-CG1 3.65Å; A235-V263 WeakPolarHBondContact CB-O 3.43Å; L243-V263 HydrophobicContact CD1-CG1 4.46Å; A255-V263 HydrophobicContact CB-CG2 4.06Å; A255-V263 PolarHBondContact O-N 3.23Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-D266 PolarHBondContact O-N 3.47Å; V263-A267 WeakPolarHBondContact O-CB 3.3Å; V263-A267 PolarHBondContact O-N 2.63Å; V263-L279 HydrophobicContact CB-CD2 4.42Å; V263-L279 HydrophobicContact CG1-CD1 3.86Å; V263-L279 HydrophobicContact CG1-CD2 3.68Å; V263-L279 HydrophobicContact CG1-CG 4.44Å |
| 264 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.5 | -32.2 | 175.8 | -176.2 | 61.4 | 0 | 0 | 0 | 112.9 | T262 S268 V276 L279 L280 A284 P286 P296 | T262-L264 PolarHBondContact O-N 2.7Å; T262-L264 VanDerWaalsContact O-N 3.13Å; L264-S268 WeakPolarHBondContact O-CB 3.39Å; L264-S268 PolarHBondContact O-N 3.04Å; L264-S268 PolarHBondContact O-OG 3.15Å; L264-V276 HydrophobicContact CD1-CG1 4.06Å; L264-L279 HydrophobicContact CD1-CB 4.1Å; L264-L279 HydrophobicContact CD1-CD1 4.28Å; L264-L280 HydrophobicContact CD1-CD2 4.4Å; L264-L280 HydrophobicContact CD1-CG 4.28Å; L264-L280 HydrophobicContact CD2-CD2 3.76Å; L264-L280 HydrophobicContact CD2-CG 4.5Å; L264-A284 HydrophobicContact CB-CB 4.11Å; L264-A284 HydrophobicContact CD2-CB 4.12Å; L264-P286 HydrophobicContact CD2-CB 3.88Å; L264-P296 HydrophobicContact CB-CG 4.34Å; L264-P296 HydrophobicContact CD2-CB 4.45Å; L264-P296 HydrophobicContact CD2-CG 4.14Å; L264-P296 HydrophobicContact CG-CB 4.1Å; L264-P296 HydrophobicContact CG-CG 3.98Å |
| 265 | Y | 98.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 172.7 | -178.7 | -90.9 | 0 | 0 | 0 | 110.9 | D261 T262 V263 S268 G269 Q294 R299 | D261-Y265 HydrophobicContact CB-CD1 3.71Å; D261-Y265 HydrophobicContact CB-CE1 4.21Å; D261-Y265 HydrophobicContact CB-CG 4.39Å; D261-Y265 VanDerWaalsContact CG-CD1 3.44Å; D261-Y265 VanDerWaalsContact CG-CE1 3.41Å; D261-Y265 WeakPolarHBondContact OD1-CE1 3.16Å; D261-Y265 WeakPolarHBondContact OD2-CE1 3.47Å; T262-Y265 WeakPolarHBondContact O-CA 3.27Å; T262-Y265 WeakPolarHBondContact O-CB 3.46Å; T262-Y265 PolarHBondContact O-N 3.37Å; T262-Y265 WeakPolarHBondContact OG1-CB 3.42Å; T262-Y265 PolarHBondContact OG1-N 3.21Å; T262-Y265 VanDerWaalsContact OG1-N 3.13Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; Y265-S268 WeakPolarHBondContact O-CB 3.28Å; Y265-S268 PolarHBondContact O-N 3.3Å; Y265-S268 VanDerWaalsContact O-N 3.12Å; Y265-G269 PolarHBondContact O-N 3.19Å; Y265-G269 VanDerWaalsContact O-N 3.14Å; Y265-Q294 HydrophobicContact CE2-CB 3.55Å; Y265-R299 HydrophobicContact CD1-CG 4.49Å; Y265-R299 HydrophobicContact CD2-CB 3.92Å; Y265-R299 HydrophobicContact CD2-CG 4.47Å; Y265-R299 HydrophobicContact CE1-CG 4.19Å; Y265-R299 HydrophobicContact CE2-CB 3.59Å; Y265-R299 HydrophobicContact CE2-CG 4.14Å |
| 266 | D | 98.1 | Very high | 97.8 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.3 | -61.1 | -29 | 0 | 0 | 0 | 111.5 | A235 E236 T262 V263 S268 G269 S270 | A235-D266 HydrophobicContact CB-CB 4.27Å; E236-D266 HydrophobicContact CB-CB 4.19Å; T262-D266 PolarHBondContact O-N 3.39Å; V263-D266 PolarHBondContact O-N 3.47Å; D266-S268 PolarHBondContact O-N 3.36Å; D266-G269 PolarHBondContact O-N 3.48Å; D266-S270 PolarHBondContact O-N 3.47Å |
| 267 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -36.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A235 V263 G269 S270 G271 C275 V276 L279 | A235-A267 HydrophobicContact CB-CB 3.91Å; A235-A267 WeakPolarHBondContact O-CA 3.26Å; V263-A267 WeakPolarHBondContact O-CB 3.3Å; V263-A267 PolarHBondContact O-N 2.63Å; A267-G269 PolarHBondContact O-N 3.34Å; A267-S270 PolarHBondContact O-N 2.92Å; A267-S270 PolarHBondContact O-OG 3.34Å; A267-G271 PolarHBondContact O-N 3.25Å; A267-C275 HydrophobicContact CB-CB 4.19Å; A267-V276 HydrophobicContact CB-CG2 3.92Å; A267-L279 HydrophobicContact CB-CD1 3.53Å |
| 268 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.3 | -25.8 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | L264 Y265 D266 P296 H305 | L264-S268 WeakPolarHBondContact O-CB 3.39Å; L264-S268 PolarHBondContact O-N 3.04Å; L264-S268 PolarHBondContact O-OG 3.15Å; Y265-S268 WeakPolarHBondContact O-CB 3.28Å; Y265-S268 PolarHBondContact O-N 3.3Å; Y265-S268 VanDerWaalsContact O-N 3.12Å; D266-S268 PolarHBondContact O-N 3.36Å; S268-P296 WeakPolarHBondContact CB-O 3.4Å; S268-P296 WeakPolarHBondContact OG-CB 3.37Å; S268-H305 PolarHBondContact O-CD2 3.21Å; S268-H305 VanDerWaalsContact O-CD2 3.29Å |
| 269 | G | 97.4 | Very high | 98 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -79.6 | -27.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y265 D266 A267 G271 H305 | Y265-G269 PolarHBondContact O-N 3.19Å; Y265-G269 VanDerWaalsContact O-N 3.14Å; D266-G269 PolarHBondContact O-N 3.48Å; A267-G269 PolarHBondContact O-N 3.34Å; G269-G271 VanDerWaalsContact C-N 3.32Å; G269-H305 PolarHBondContact O-CD2 3.32Å; G269-H305 PolarHBondContact O-NE2 2.93Å |
| 270 | S | 96.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 25% | 0.245 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -75.6 | -22 | 178.5 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | A235 E236 D266 A267 N272 | A235-S270 VanDerWaalsContact O-CB 3.3Å; A235-S270 WeakPolarHBondContact O-CB 3.28Å; A235-S270 PolarHBondContact O-OG 2.88Å; E236-S270 WeakPolarHBondContact O-CB 3.41Å; D266-S270 PolarHBondContact O-N 3.47Å; A267-S270 PolarHBondContact O-N 2.92Å; A267-S270 PolarHBondContact O-OG 3.34Å; S270-N272 PolarHBondContact O-N 2.93Å; S270-N272 PolarHBondContact OG-N 3.18Å |
| 271 | G | 95.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 29 Ų | 29 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | trans | 76.5 | 0.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A267 G269 L273 H305 | A267-G271 PolarHBondContact O-N 3.25Å; G269-G271 VanDerWaalsContact C-N 3.32Å; G271-L273 PolarHBondContact O-N 3.5Å; G271-L273 VanDerWaalsContact O-N 3.1Å; G271-H305 WeakPolarHBondContact CA-CD2 3.42Å; G271-H305 WeakPolarHBondContact CA-ND1 3.22Å; G271-H305 PolarHBondContact N-CD2 3.4Å; G271-H305 PolarHBondContact N-NE2 3.41Å | ||
| 272 | N | 98.1 | Very high | 98.3 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | trans | -74.3 | 103.4 | 176.6 | -173.2 | -43.6 | 0 | 0 | 0 | 110.1 | G238 T240 S270 D274 C275 V276 | G238-N272 PolarHBondContact O-ND2 2.87Å; T240-N272 PolarHBondContact OG1-ND2 3.08Å; T240-N272 PolarHBondContact OG1-OD1 2.93Å; S270-N272 PolarHBondContact O-N 2.93Å; S270-N272 PolarHBondContact OG-N 3.18Å; N272-D274 VanDerWaalsContact C-N 3.28Å; N272-D274 PolarHBondContact O-N 3.49Å; N272-D274 WeakPolarHBondContact OD1-CA 3.25Å; N272-D274 WeakPolarHBondContact OD1-CB 3.31Å; N272-D274 PolarHBondContact OD1-N 3.22Å; N272-C275 HydrophobicContact CB-CB 4.18Å; N272-C275 PolarHBondContact O-N 2.95Å; N272-C275 PolarHBondContact OD1-N 2.96Å; N272-V276 PolarHBondContact O-N 3.23Å | ||
| 273 | L | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -36.2 | -179.4 | -179.8 | 62.9 | 0 | 0 | 0 | 112.6 | G271 V276 M277 L307 V308 T311 | G271-L273 PolarHBondContact O-N 3.5Å; G271-L273 VanDerWaalsContact O-N 3.1Å; L273-V276 PolarHBondContact O-N 2.95Å; L273-M277 HydrophobicContact CD1-CG 4.16Å; L273-M277 HydrophobicContact CD1-SD 4.44Å; L273-M277 HydrophobicContact CD2-SD 4.47Å; L273-M277 HydrophobicContact CG-CG 4.27Å; L273-M277 HydrophobicContact CG-SD 4.13Å; L273-M277 WeakPolarHBondContact O-CB 3.47Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.33Å; L273-L307 HydrophobicContact CD2-CB 4.33Å; L273-V308 HydrophobicContact CB-CG2 4.49Å; L273-V308 HydrophobicContact CD1-CG2 4.41Å; L273-T311 HydrophobicContact CD1-CG2 4.48Å; L273-T311 WeakPolarHBondContact CD1-OG1 3.49Å |
| 274 | D | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 34.9 Ų | 34.9 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.1 | -40.4 | -178.7 | -59.4 | -36.1 | 0 | 0 | 0 | 110.8 | T240 N272 V276 M277 L278 | T240-D274 HydrophobicContact CG2-CB 3.73Å; N272-D274 VanDerWaalsContact C-N 3.28Å; N272-D274 PolarHBondContact O-N 3.49Å; N272-D274 WeakPolarHBondContact OD1-CA 3.25Å; N272-D274 WeakPolarHBondContact OD1-CB 3.31Å; N272-D274 PolarHBondContact OD1-N 3.22Å; D274-V276 PolarHBondContact O-N 3.17Å; D274-M277 PolarHBondContact O-N 3.26Å; D274-L278 WeakPolarHBondContact O-CB 3.09Å; D274-L278 PolarHBondContact O-N 2.97Å |
| 275 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 172.1 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | L243 A267 N272 L278 L279 | L243-C275 HydrophobicContact CD2-CB 3.75Å; A267-C275 HydrophobicContact CB-CB 4.19Å; N272-C275 HydrophobicContact CB-CB 4.18Å; N272-C275 PolarHBondContact O-N 2.95Å; N272-C275 PolarHBondContact OD1-N 2.96Å; C275-L278 PolarHBondContact O-N 2.67Å; C275-L279 WeakPolarHBondContact O-CB 3.46Å; C275-L279 VanDerWaalsContact O-CG 3.27Å; C275-L279 WeakPolarHBondContact O-CG 2.76Å; C275-L279 PolarHBondContact O-N 3.13Å |
| 276 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L264 A267 N272 L273 D274 L279 L280 V308 L312 | L264-V276 HydrophobicContact CD1-CG1 4.06Å; A267-V276 HydrophobicContact CB-CG2 3.92Å; N272-V276 PolarHBondContact O-N 3.23Å; L273-V276 PolarHBondContact O-N 2.95Å; D274-V276 PolarHBondContact O-N 3.17Å; V276-L279 PolarHBondContact O-N 2.93Å; V276-L280 HydrophobicContact CG1-CD1 3.95Å; V276-L280 WeakPolarHBondContact O-CB 3.49Å; V276-L280 VanDerWaalsContact O-CG 3.28Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 2.86Å; V276-V308 HydrophobicContact CG1-CG1 4.28Å; V276-V308 HydrophobicContact CG2-CG1 3.86Å; V276-V308 HydrophobicContact CG2-CG2 4.08Å; V276-L312 HydrophobicContact CG1-CD2 4.31Å |
| 277 | M | 98.8 | Very high | 98.3 | Very high | 78 Ų | 78 | 38.3 Ų | 38.3 | 38% | 0.384 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 178 | -77.1 | -172.8 | 54.6 | 0 | 0 | 112 | L273 D274 L279 L280 Q281 | L273-M277 HydrophobicContact CD1-CG 4.16Å; L273-M277 HydrophobicContact CD1-SD 4.44Å; L273-M277 HydrophobicContact CD2-SD 4.47Å; L273-M277 HydrophobicContact CG-CG 4.27Å; L273-M277 HydrophobicContact CG-SD 4.13Å; L273-M277 WeakPolarHBondContact O-CB 3.47Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.33Å; D274-M277 PolarHBondContact O-N 3.26Å; M277-L279 PolarHBondContact O-N 2.99Å; M277-L280 PolarHBondContact O-N 3.2Å; M277-Q281 WeakPolarHBondContact O-CB 3.21Å; M277-Q281 WeakPolarHBondContact O-CG 3.48Å; M277-Q281 PolarHBondContact O-N 3.25Å |
| 278 | L | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 178.3 | -176.7 | 66.5 | 0 | 0 | 0 | 111 | T240 L243 E244 I247 D274 C275 L280 Q281 H282 | T240-L278 HydrophobicContact CG2-CD2 4.31Å; L243-L278 HydrophobicContact CB-CD2 4.35Å; L243-L278 HydrophobicContact CD2-CD2 4.34Å; L243-L278 HydrophobicContact CG-CD2 4.14Å; E244-L278 HydrophobicContact CB-CD2 3.88Å; I247-L278 HydrophobicContact CD1-CD2 4.04Å; I247-L278 HydrophobicContact CD1-CG 3.92Å; D274-L278 WeakPolarHBondContact O-CB 3.09Å; D274-L278 PolarHBondContact O-N 2.97Å; C275-L278 PolarHBondContact O-N 2.67Å; L278-L280 PolarHBondContact O-N 3.17Å; L278-Q281 PolarHBondContact O-N 3.14Å; L278-H282 PolarHBondContact O-CD2 3.12Å; L278-H282 VanDerWaalsContact O-CD2 3.26Å; L278-H282 PolarHBondContact O-N 3.38Å |
| 279 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.5 | -72.7 | 167.4 | 0 | 0 | 0 | 112.3 | A235 L243 I247 V253 V263 L264 A267 C275 V276 M277 Q281 H282 G283 A284 | A235-L279 HydrophobicContact CB-CD1 4.49Å; L243-L279 HydrophobicContact CD1-CD2 4.21Å; L243-L279 HydrophobicContact CD2-CD1 4.1Å; L243-L279 HydrophobicContact CD2-CD2 4.27Å; L243-L279 HydrophobicContact CD2-CG 3.94Å; I247-L279 HydrophobicContact CD1-CD2 4.46Å; V253-L279 HydrophobicContact CB-CD2 3.92Å; V253-L279 HydrophobicContact CG1-CD2 3.86Å; V263-L279 HydrophobicContact CB-CD2 4.42Å; V263-L279 HydrophobicContact CG1-CD1 3.86Å; V263-L279 HydrophobicContact CG1-CD2 3.68Å; V263-L279 HydrophobicContact CG1-CG 4.44Å; L264-L279 HydrophobicContact CD1-CB 4.1Å; L264-L279 HydrophobicContact CD1-CD1 4.28Å; A267-L279 HydrophobicContact CB-CD1 3.53Å; C275-L279 WeakPolarHBondContact O-CB 3.46Å; C275-L279 VanDerWaalsContact O-CG 3.27Å; C275-L279 WeakPolarHBondContact O-CG 2.76Å; C275-L279 PolarHBondContact O-N 3.13Å; V276-L279 PolarHBondContact O-N 2.93Å; M277-L279 PolarHBondContact O-N 2.99Å; L279-Q281 PolarHBondContact O-N 3.13Å; L279-H282 CarbonylContact O-C 3.45Å; L279-H282 PolarHBondContact O-N 3.09Å; L279-G283 PolarHBondContact O-N 2.89Å; L279-A284 HydrophobicContact CB-CB 3.82Å; L279-A284 WeakPolarHBondContact O-CB 2.98Å; L279-A284 PolarHBondContact O-N 3.3Å |
| 280 | L | 98.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.5 | -71 | 171.9 | 0 | 0 | 0 | 111.9 | L264 V276 M277 L278 H282 G283 P286 T311 L312 V315 | L264-L280 HydrophobicContact CD1-CD2 4.4Å; L264-L280 HydrophobicContact CD1-CG 4.28Å; L264-L280 HydrophobicContact CD2-CD2 3.76Å; L264-L280 HydrophobicContact CD2-CG 4.5Å; V276-L280 HydrophobicContact CG1-CD1 3.95Å; V276-L280 WeakPolarHBondContact O-CB 3.49Å; V276-L280 VanDerWaalsContact O-CG 3.28Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 2.86Å; M277-L280 PolarHBondContact O-N 3.2Å; L278-L280 PolarHBondContact O-N 3.17Å; L280-H282 PolarHBondContact O-N 2.9Å; L280-G283 PolarHBondContact O-N 3.33Å; L280-G283 VanDerWaalsContact O-N 3.12Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 4.24Å; L280-T311 HydrophobicContact CD1-CG2 4.06Å; L280-L312 HydrophobicContact CD1-CD2 4.46Å; L280-V315 HydrophobicContact CD1-CG2 4.45Å; L280-V315 HydrophobicContact CD2-CG2 4.41Å |
| 281 | Q | 98.5 | Very high | 98.1 | Very high | 137 Ų | 137 | 47.7 Ų | 47.7 | 64% | 0.64 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.3 | -34.3 | 175.7 | -74.7 | 170 | 2.8 | 0 | 0 | 112.3 | M277 L278 L279 G283 | M277-Q281 WeakPolarHBondContact O-CB 3.21Å; M277-Q281 WeakPolarHBondContact O-CG 3.48Å; M277-Q281 PolarHBondContact O-N 3.25Å; L278-Q281 PolarHBondContact O-N 3.14Å; L279-Q281 PolarHBondContact O-N 3.13Å; Q281-G283 VanDerWaalsContact C-N 3.33Å |
| 282 | H | 98.6 | Very high | 98 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 47% | 0.468 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 10.1 | 177.2 | -75.9 | -80.7 | 0 | 0 | 0 | 114.2 | I247 V253 L278 L279 L280 | I247-H282 HydrophobicContact CD1-CB 4.45Å; I247-H282 HydrophobicContact CG2-CB 4.31Å; V253-H282 HydrophobicContact CG1-CB 4.03Å; V253-H282 WeakPolarHBondContact CG2-O 3.18Å; L278-H282 PolarHBondContact O-CD2 3.12Å; L278-H282 VanDerWaalsContact O-CD2 3.26Å; L278-H282 PolarHBondContact O-N 3.38Å; L279-H282 CarbonylContact O-C 3.45Å; L279-H282 PolarHBondContact O-N 3.09Å; L280-H282 PolarHBondContact O-N 2.9Å |
| 283 | G | 98.3 | Very high | 97.9 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 49% | 0.485 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 21.1 | 170 | 0 | 0 | 0 | 0 | 0 | 115.5 | N254 L279 L280 Q281 N285 | N254-G283 PolarHBondContact ND2-O 3.29Å; L279-G283 PolarHBondContact O-N 2.89Å; L280-G283 PolarHBondContact O-N 3.33Å; L280-G283 VanDerWaalsContact O-N 3.12Å; Q281-G283 VanDerWaalsContact C-N 3.33Å; G283-N285 PolarHBondContact O-N 3.02Å |
| 284 | A | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | trans | -62.3 | 133.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V253 N254 L264 L279 P286 | V253-A284 HydrophobicContact CB-CB 4.23Å; V253-A284 HydrophobicContact CG2-CB 4.2Å; N254-A284 WeakPolarHBondContact OD1-CA 3.35Å; L264-A284 HydrophobicContact CB-CB 4.11Å; L264-A284 HydrophobicContact CD2-CB 4.12Å; L279-A284 HydrophobicContact CB-CB 3.82Å; L279-A284 WeakPolarHBondContact O-CB 2.98Å; L279-A284 PolarHBondContact O-N 3.3Å; A284-P286 VanDerWaalsContact O-CD 3.32Å; A284-P286 WeakPolarHBondContact O-CD 3.46Å | ||
| 285 | N | 98.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | trans | -91.6 | 112.3 | -175 | -175.4 | -3.1 | 0 | 0 | 0 | 112.2 | N254 G283 N287 V288 | N254-N285 PolarHBondContact OD1-N 3.12Å; G283-N285 PolarHBondContact O-N 3.02Å; N285-N287 PolarHBondContact O-N 2.99Å; N285-N287 VanDerWaalsContact O-N 3.11Å; N285-N287 VanDerWaalsContact OD1-CB 3.29Å; N285-N287 WeakPolarHBondContact OD1-CB 3.31Å; N285-N287 PolarHBondContact OD1-N 3.47Å; N285-N287 PolarHBondContact OD1-ND2 3.3Å; N285-V288 HydrophobicContact CB-CG2 3.77Å; N285-V288 WeakPolarHBondContact ND2-CG2 3.43Å | ||
| 286 | P | 98.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 7% | 0.071 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -0.5 | -179.7 | 32 | -37.1 | 0 | 0 | 0 | 114.2 | L264 L280 A284 L312 V315 | L264-P286 HydrophobicContact CD2-CB 3.88Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 4.24Å; A284-P286 VanDerWaalsContact O-CD 3.32Å; A284-P286 WeakPolarHBondContact O-CD 3.46Å; P286-L312 HydrophobicContact CB-CD2 4.31Å; P286-V315 HydrophobicContact CB-CG2 4.04Å; P286-V315 HydrophobicContact CG-CB 3.98Å; P286-V315 HydrophobicContact CG-CG2 3.81Å; P286-V315 WeakPolarHBondContact CG-O 3.47Å |
| 287 | N | 98.6 | Very high | 97.8 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 7.9 | -175.2 | -61.6 | -75.5 | 0 | 0 | 0 | 113.6 | N285 V315 T317 A320 | N285-N287 PolarHBondContact O-N 2.99Å; N285-N287 VanDerWaalsContact O-N 3.11Å; N285-N287 VanDerWaalsContact OD1-CB 3.29Å; N285-N287 WeakPolarHBondContact OD1-CB 3.31Å; N285-N287 PolarHBondContact OD1-N 3.47Å; N285-N287 PolarHBondContact OD1-ND2 3.3Å; N287-V315 PolarHBondContact ND2-O 3.41Å; N287-T317 WeakPolarHBondContact OD1-CB 3.46Å; N287-T317 WeakPolarHBondContact OD1-CG2 3.5Å; N287-T317 PolarHBondContact OD1-N 3.14Å; N287-T317 PolarHBondContact OD1-OG1 2.96Å; N287-A320 HydrophobicContact CB-CB 3.82Å; N287-A320 WeakPolarHBondContact OD1-CB 3.48Å |
| 288 | V | 97.8 | Very high | 97.8 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -96.7 | 122.1 | 179.6 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | T262 N285 | T262-V288 HydrophobicContact CG2-CB 4.12Å; T262-V288 HydrophobicContact CG2-CG1 4.08Å; N285-V288 HydrophobicContact CB-CG2 3.77Å; N285-V288 WeakPolarHBondContact ND2-CG2 3.43Å |
| 289 | A | 96.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -86.2 | 152.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R256 Q294 L295 | R256-A289 PolarHBondContact NH1-O 3.39Å; R256-A289 PolarHBondContact NH2-O 3.06Å; A289-Q294 CarbonylContact C-O 3.46Å; A289-Q294 WeakPolarHBondContact CA-O 3.27Å; A289-L295 HydrophobicContact CB-CD2 3.92Å; A289-L295 HydrophobicContact CB-CG 4.47Å |
| 290 | S | 96.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -72 | 172.3 | 163.1 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | G260 D261 A292 C293 Q294 | G260-S290 WeakPolarHBondContact O-CA 3.2Å; D261-S290 WeakPolarHBondContact OD1-CB 3.46Å; D261-S290 PolarHBondContact OD1-OG 3.3Å; S290-A292 PolarHBondContact O-N 3.03Å; S290-A292 PolarHBondContact OG-N 3.34Å; S290-C293 WeakPolarHBondContact O-CA 3.37Å; S290-C293 PolarHBondContact O-N 3.3Å; S290-Q294 PolarHBondContact N-O 3.29Å; S290-Q294 PolarHBondContact OG-N 2.8Å |
| 291 | Y | 95.4 | Very high | 97.8 | Very high | 162 Ų | 162 | 41.6 Ų | 41.6 | 64% | 0.635 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.9 | 176 | -58.9 | -29.6 | 0 | 0 | 0 | 112.8 | S258 N259 C293 | S258-Y291 VanDerWaalsContact O-CE2 3.29Å; S258-Y291 WeakPolarHBondContact O-CE2 3.4Å; N259-Y291 VanDerWaalsContact O-CB 3.31Å; N259-Y291 WeakPolarHBondContact O-CB 3.39Å; N259-Y291 WeakPolarHBondContact O-CD2 3.32Å; N259-Y291 PolarHBondContact O-N 2.99Å; Y291-C293 PolarHBondContact O-N 3.2Å |
| 292 | A | 93.7 | Very high | 97.9 | Very high | 66 Ų | 66 | 39 Ų | 39 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 13.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S290 Q294 | S290-A292 PolarHBondContact O-N 3.03Å; S290-A292 PolarHBondContact OG-N 3.34Å; A292-Q294 HydrophobicContact CB-CG 4.18Å; A292-Q294 PolarHBondContact O-N 3.41Å; A292-Q294 VanDerWaalsContact O-N 3.17Å |
| 293 | C | 96.1 | Very high | 97.8 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 58.5 | 23.9 | -177.3 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | S290 Y291 S324 I359 | S290-C293 WeakPolarHBondContact O-CA 3.37Å; S290-C293 PolarHBondContact O-N 3.3Å; Y291-C293 PolarHBondContact O-N 3.2Å; C293-S324 WeakPolarHBondContact CB-O 3.32Å; C293-S324 WeakPolarHBondContact O-CB 3.41Å; C293-I359 HydrophobicContact CB-CD1 3.99Å |
| 294 | Q | 97.6 | Very high | 97.9 | Very high | 39 Ų | 39 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | trans | -93.2 | 144 | 178.7 | -57.8 | -66.6 | -43.9 | 0 | 0 | 110.9 | Y265 A289 S290 A292 H298 | Y265-Q294 HydrophobicContact CE2-CB 3.55Å; A289-Q294 CarbonylContact C-O 3.46Å; A289-Q294 WeakPolarHBondContact CA-O 3.27Å; S290-Q294 PolarHBondContact N-O 3.29Å; S290-Q294 PolarHBondContact OG-N 2.8Å; A292-Q294 HydrophobicContact CB-CG 4.18Å; A292-Q294 PolarHBondContact O-N 3.41Å; A292-Q294 VanDerWaalsContact O-N 3.17Å; Q294-H298 VanDerWaalsContact OE1-CB 3.25Å | ||
| 295 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -110.3 | 161.7 | 175.6 | -67 | 167.6 | 0 | 0 | 0 | 108.5 | A289 I297 H298 R299 T316 A320 I321 | A289-L295 HydrophobicContact CB-CD2 3.92Å; A289-L295 HydrophobicContact CB-CG 4.47Å; L295-I297 HydrophobicContact CB-CG2 3.95Å; L295-I297 HydrophobicContact CD1-CG2 4.38Å; L295-I297 PolarHBondContact O-N 3.39Å; L295-I297 VanDerWaalsContact O-N 3.13Å; L295-H298 WeakPolarHBondContact CB-ND1 3.42Å; L295-H298 PolarHBondContact N-ND1 2.99Å; L295-H298 WeakPolarHBondContact O-CA 3.49Å; L295-H298 WeakPolarHBondContact O-CB 3.41Å; L295-H298 PolarHBondContact O-N 3.3Å; L295-R299 PolarHBondContact O-N 3.27Å; L295-T316 HydrophobicContact CD1-CG2 4.09Å; L295-A320 HydrophobicContact CD1-CB 3.94Å; L295-A320 HydrophobicContact CD2-CB 4.38Å; L295-I321 HydrophobicContact CD1-CG1 4.11Å | ||
| 296 | P | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -50.5 | -38.1 | 172.9 | -29.9 | 37.1 | 0 | 0 | 0 | 113.6 | L264 S268 H298 R299 A300 L312 | L264-P296 HydrophobicContact CB-CG 4.34Å; L264-P296 HydrophobicContact CD2-CB 4.45Å; L264-P296 HydrophobicContact CD2-CG 4.14Å; L264-P296 HydrophobicContact CG-CB 4.1Å; L264-P296 HydrophobicContact CG-CG 3.98Å; S268-P296 WeakPolarHBondContact CB-O 3.4Å; S268-P296 WeakPolarHBondContact OG-CB 3.37Å; P296-H298 VanDerWaalsContact C-N 3.3Å; P296-H298 PolarHBondContact O-N 3.36Å; P296-R299 PolarHBondContact O-N 3.41Å; P296-A300 PolarHBondContact O-N 2.81Å; P296-L312 HydrophobicContact CB-CD1 4.02Å; P296-L312 HydrophobicContact CB-CD2 4.37Å |
| 297 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -34.1 | 176.6 | -162.9 | 174.7 | 0 | 0 | 0 | 112.9 | L295 A301 L309 L312 I313 T316 I321 P328 F349 | L295-I297 HydrophobicContact CB-CG2 3.95Å; L295-I297 HydrophobicContact CD1-CG2 4.38Å; L295-I297 PolarHBondContact O-N 3.39Å; L295-I297 VanDerWaalsContact O-N 3.13Å; I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.27Å; I297-A301 PolarHBondContact O-N 3.07Å; I297-A301 VanDerWaalsContact O-N 3.13Å; I297-L309 HydrophobicContact CD1-CD1 4.29Å; I297-L309 HydrophobicContact CG1-CD1 3.51Å; I297-L312 HydrophobicContact CB-CB 4.27Å; I297-L312 HydrophobicContact CG1-CB 4.23Å; I297-I313 HydrophobicContact CD1-CG1 4.01Å; I297-T316 HydrophobicContact CB-CG2 4.48Å; I297-T316 HydrophobicContact CG2-CG2 3.98Å; I297-I321 HydrophobicContact CG2-CG1 4.5Å; I297-P328 HydrophobicContact CD1-CG 4.19Å; I297-P328 HydrophobicContact CG1-CB 4.26Å; I297-P328 HydrophobicContact CG1-CG 4.42Å; I297-F349 HydrophobicContact CD1-CZ 4.18Å |
| 298 | H | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -43.7 | 177.2 | -64.2 | 117.2 | 0 | 0 | 0 | 110.8 | Q294 L295 P296 A301 Y302 S324 Q326 S331 | Q294-H298 VanDerWaalsContact OE1-CB 3.25Å; L295-H298 WeakPolarHBondContact CB-ND1 3.42Å; L295-H298 PolarHBondContact N-ND1 2.99Å; L295-H298 WeakPolarHBondContact O-CA 3.49Å; L295-H298 WeakPolarHBondContact O-CB 3.41Å; L295-H298 PolarHBondContact O-N 3.3Å; P296-H298 VanDerWaalsContact C-N 3.3Å; P296-H298 PolarHBondContact O-N 3.36Å; H298-A301 PolarHBondContact O-N 3.19Å; H298-Y302 WeakPolarHBondContact O-CB 3.44Å; H298-Y302 PolarHBondContact O-N 2.88Å; H298-S324 PolarHBondContact CE1-OG 2.94Å; H298-Q326 PolarHBondContact CD2-NE2 2.92Å; H298-Q326 PolarHBondContact CE1-O 3.29Å; H298-Q326 PolarHBondContact ND1-NE2 2.96Å; H298-Q326 PolarHBondContact NE2-NE2 2.75Å; H298-Q326 PolarHBondContact NE2-O 3.39Å; H298-S331 PolarHBondContact CD2-OG 2.68Å; H298-S331 VanDerWaalsContact O-CB 3.32Å; H298-S331 WeakPolarHBondContact O-CB 3.46Å |
| 299 | R | 98.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.1 | -48 | 177.8 | -170.1 | 63.8 | 172.3 | 144 | 16.1 | 111.8 | Y265 L295 P296 A301 Y302 E303 | Y265-R299 HydrophobicContact CD1-CG 4.49Å; Y265-R299 HydrophobicContact CD2-CB 3.92Å; Y265-R299 HydrophobicContact CD2-CG 4.47Å; Y265-R299 HydrophobicContact CE1-CG 4.19Å; Y265-R299 HydrophobicContact CE2-CB 3.59Å; Y265-R299 HydrophobicContact CE2-CG 4.14Å; L295-R299 PolarHBondContact O-N 3.27Å; P296-R299 PolarHBondContact O-N 3.41Å; R299-A301 VanDerWaalsContact C-N 3.31Å; R299-A301 PolarHBondContact O-N 3.46Å; R299-Y302 PolarHBondContact O-N 2.81Å; R299-E303 IonicContact CZ-OE1 3.11Å; R299-E303 IonicContact NE-OE1 3.24Å; R299-E303 IonicContact NH1-OE1 2.7Å; R299-E303 PolarHBondContact NH1-OE1 3.46Å; R299-E303 IonicContact NH2-OE1 2.88Å; R299-E303 PolarHBondContact NH2-OE1 3.23Å; R299-E303 WeakPolarHBondContact O-CG 3.4Å; R299-E303 PolarHBondContact O-N 3.07Å |
| 300 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | P296 G304 H305 V308 L309 L312 | P296-A300 PolarHBondContact O-N 2.81Å; A300-G304 PolarHBondContact O-N 3.33Å; A300-H305 PolarHBondContact O-N 3.04Å; A300-V308 HydrophobicContact CB-CB 4.28Å; A300-V308 HydrophobicContact CB-CG1 3.7Å; A300-L309 HydrophobicContact CB-CB 4.27Å; A300-L312 HydrophobicContact CB-CD1 3.99Å |
| 301 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I297 H298 R299 L309 P328 A332 Q337 L344 | I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.27Å; I297-A301 PolarHBondContact O-N 3.07Å; I297-A301 VanDerWaalsContact O-N 3.13Å; H298-A301 PolarHBondContact O-N 3.19Å; R299-A301 VanDerWaalsContact C-N 3.31Å; R299-A301 PolarHBondContact O-N 3.46Å; A301-L309 HydrophobicContact CB-CD1 4.11Å; A301-L309 HydrophobicContact CB-CD2 4.16Å; A301-P328 HydrophobicContact CB-CB 4.05Å; A301-A332 HydrophobicContact CB-CB 4.22Å; A301-A332 WeakPolarHBondContact O-CA 3.4Å; A301-Q337 WeakPolarHBondContact O-CG 2.93Å; A301-L344 HydrophobicContact CB-CD1 4.45Å |
| 302 | Y | 98.8 | Very high | 98.3 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 177.4 | -178.5 | -94.7 | 0 | 0 | 0 | 112.7 | H298 R299 G304 S331 D334 Q337 | H298-Y302 WeakPolarHBondContact O-CB 3.44Å; H298-Y302 PolarHBondContact O-N 2.88Å; R299-Y302 PolarHBondContact O-N 2.81Å; Y302-G304 VanDerWaalsContact C-N 3.29Å; Y302-G304 PolarHBondContact O-N 3.45Å; Y302-S331 WeakPolarHBondContact CA-O 3.05Å; Y302-D334 HydrophobicContact CD2-CB 4.26Å; Y302-D334 HydrophobicContact CE2-CB 4.19Å; Y302-Q337 VanDerWaalsContact O-CG 3.25Å; Y302-Q337 WeakPolarHBondContact O-CG 3.44Å; Y302-Q337 PolarHBondContact O-NE2 3.08Å; Y302-Q337 VanDerWaalsContact O-NE2 3.08Å |
| 303 | E | 98.3 | Very high | 98.5 | Very high | 66 Ų | 66 | 32.6 Ų | 32.6 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -81.5 | -6.1 | -177.2 | -63.4 | -67.2 | 167.1 | 0 | 0 | 113.4 | R299 H305 | R299-E303 IonicContact CZ-OE1 3.11Å; R299-E303 IonicContact NE-OE1 3.24Å; R299-E303 IonicContact NH1-OE1 2.7Å; R299-E303 PolarHBondContact NH1-OE1 3.46Å; R299-E303 IonicContact NH2-OE1 2.88Å; R299-E303 PolarHBondContact NH2-OE1 3.23Å; R299-E303 WeakPolarHBondContact O-CG 3.4Å; R299-E303 PolarHBondContact O-N 3.07Å; E303-H305 VanDerWaalsContact CB-CD2 3.46Å; E303-H305 WeakPolarHBondContact CB-CD2 3.45Å; E303-H305 WeakPolarHBondContact CB-NE2 3.13Å |
| 304 | G | 98.4 | Very high | 98.6 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 19% | 0.186 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 17.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A300 Y302 T306 Q337 | A300-G304 PolarHBondContact O-N 3.33Å; Y302-G304 VanDerWaalsContact C-N 3.29Å; Y302-G304 PolarHBondContact O-N 3.45Å; G304-T306 VanDerWaalsContact C-N 3.31Å; G304-T306 PolarHBondContact O-N 3.13Å; G304-Q337 VanDerWaalsContact CA-CG 3.5Å; G304-Q337 VanDerWaalsContact CA-OE1 3.32Å |
| 305 | H | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 37 Ų | 37 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | trans | -83.4 | 72.5 | -174.4 | -62.5 | -45.8 | 0 | 0 | 0 | 111.5 | S268 G269 G271 A300 E303 L307 V308 L309 | S268-H305 PolarHBondContact O-CD2 3.21Å; S268-H305 VanDerWaalsContact O-CD2 3.29Å; G269-H305 PolarHBondContact O-CD2 3.32Å; G269-H305 PolarHBondContact O-NE2 2.93Å; G271-H305 WeakPolarHBondContact CA-CD2 3.42Å; G271-H305 WeakPolarHBondContact CA-ND1 3.22Å; G271-H305 PolarHBondContact N-CD2 3.4Å; G271-H305 PolarHBondContact N-NE2 3.41Å; A300-H305 PolarHBondContact O-N 3.04Å; E303-H305 VanDerWaalsContact CB-CD2 3.46Å; E303-H305 WeakPolarHBondContact CB-CD2 3.45Å; E303-H305 WeakPolarHBondContact CB-NE2 3.13Å; H305-L307 VanDerWaalsContact C-N 3.28Å; H305-L307 PolarHBondContact O-N 2.94Å; H305-L307 VanDerWaalsContact O-N 3.14Å; H305-V308 HydrophobicContact CB-CB 4Å; H305-V308 HydrophobicContact CB-CG2 4.24Å; H305-V308 PolarHBondContact O-N 3.22Å; H305-L309 WeakPolarHBondContact O-CB 3.41Å; H305-L309 PolarHBondContact O-N 2.88Å | ||
| 306 | T | 98.6 | Very high | 98.7 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 17% | 0.166 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -51.5 | -39.7 | -173 | -53 | 0 | 0 | 0 | 0 | 113.9 | G304 R310 E339 L343 | G304-T306 VanDerWaalsContact C-N 3.31Å; G304-T306 PolarHBondContact O-N 3.13Å; T306-R310 WeakPolarHBondContact O-CB 3.25Å; T306-R310 PolarHBondContact O-N 3.07Å; T306-E339 HydrophobicContact CG2-CB 4.43Å; T306-E339 WeakPolarHBondContact OG1-CB 3.4Å; T306-E339 PolarHBondContact OG1-OE2 3.32Å; T306-L343 HydrophobicContact CG2-CD2 3.98Å |
| 307 | L | 98.7 | Very high | 98.7 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 46% | 0.461 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 179.3 | -62.6 | 179.3 | 0 | 0 | 0 | 112.8 | L273 H305 T311 | L273-L307 HydrophobicContact CD2-CB 4.33Å; H305-L307 VanDerWaalsContact C-N 3.28Å; H305-L307 PolarHBondContact O-N 2.94Å; H305-L307 VanDerWaalsContact O-N 3.14Å; L307-T311 PolarHBondContact O-N 3.5Å; L307-T311 PolarHBondContact O-OG1 3.26Å |
| 308 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 109.4 | L273 V276 A300 H305 R310 T311 L312 | L273-V308 HydrophobicContact CB-CG2 4.49Å; L273-V308 HydrophobicContact CD1-CG2 4.41Å; V276-V308 HydrophobicContact CG1-CG1 4.28Å; V276-V308 HydrophobicContact CG2-CG1 3.86Å; V276-V308 HydrophobicContact CG2-CG2 4.08Å; A300-V308 HydrophobicContact CB-CB 4.28Å; A300-V308 HydrophobicContact CB-CG1 3.7Å; H305-V308 HydrophobicContact CB-CB 4Å; H305-V308 HydrophobicContact CB-CG2 4.24Å; H305-V308 PolarHBondContact O-N 3.22Å; V308-R310 VanDerWaalsContact C-N 3.31Å; V308-R310 PolarHBondContact O-N 2.62Å; V308-T311 WeakPolarHBondContact O-CA 3.43Å; V308-T311 WeakPolarHBondContact O-CB 3.23Å; V308-T311 PolarHBondContact O-N 3.43Å; V308-L312 HydrophobicContact CG1-CD1 3.68Å; V308-L312 HydrophobicContact CG1-CG 4.22Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.33Å |
| 309 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 177.4 | -178.6 | 58.3 | 0 | 0 | 0 | 111.5 | I297 A300 A301 H305 T311 L312 I313 C340 L343 L344 | I297-L309 HydrophobicContact CD1-CD1 4.29Å; I297-L309 HydrophobicContact CG1-CD1 3.51Å; A300-L309 HydrophobicContact CB-CB 4.27Å; A301-L309 HydrophobicContact CB-CD1 4.11Å; A301-L309 HydrophobicContact CB-CD2 4.16Å; H305-L309 WeakPolarHBondContact O-CB 3.41Å; H305-L309 PolarHBondContact O-N 2.88Å; L309-T311 PolarHBondContact O-N 3.29Å; L309-L312 PolarHBondContact O-N 3.11Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L309-I313 HydrophobicContact CD1-CG1 4.31Å; L309-I313 HydrophobicContact CG-CD1 4.19Å; L309-I313 HydrophobicContact CG-CG1 4.47Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.35Å; L309-I313 PolarHBondContact O-N 2.92Å; L309-C340 HydrophobicContact CD2-CB 3.55Å; L309-L343 HydrophobicContact CB-CD2 4.29Å; L309-L343 HydrophobicContact CD2-CD2 4.14Å; L309-L343 HydrophobicContact CG-CD2 4.04Å; L309-L344 HydrophobicContact CD1-CD2 4.29Å; L309-L344 HydrophobicContact CD2-CD1 4.3Å; L309-L344 HydrophobicContact CD2-CD2 4.37Å; L309-L344 HydrophobicContact CD2-CG 4.1Å |
| 310 | R | 98.8 | Very high | 98.5 | Very high | 140 Ų | 140 | 53.8 Ų | 53.8 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.9 | -33.4 | 175.9 | -170.5 | 172.1 | 64.9 | -155.4 | 3.1 | 113 | T306 V308 P314 L343 | T306-R310 WeakPolarHBondContact O-CB 3.25Å; T306-R310 PolarHBondContact O-N 3.07Å; V308-R310 VanDerWaalsContact C-N 3.31Å; V308-R310 PolarHBondContact O-N 2.62Å; R310-P314 VanDerWaalsContact O-CD 3.23Å; R310-P314 WeakPolarHBondContact O-CD 3.41Å; R310-L343 HydrophobicContact CB-CD2 3.86Å |
| 311 | T | 98.7 | Very high | 98.5 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 23% | 0.233 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.1 | -35.8 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | L273 L280 L307 V308 L309 P314 | L273-T311 HydrophobicContact CD1-CG2 4.48Å; L273-T311 WeakPolarHBondContact CD1-OG1 3.49Å; L280-T311 HydrophobicContact CD1-CG2 4.06Å; L307-T311 PolarHBondContact O-N 3.5Å; L307-T311 PolarHBondContact O-OG1 3.26Å; V308-T311 WeakPolarHBondContact O-CA 3.43Å; V308-T311 WeakPolarHBondContact O-CB 3.23Å; V308-T311 PolarHBondContact O-N 3.43Å; L309-T311 PolarHBondContact O-N 3.29Å; T311-P314 WeakPolarHBondContact O-CD 3.36Å; T311-P314 WeakPolarHBondContact O-CG 3.28Å |
| 312 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.5 | -35 | -178.3 | -68 | 173.5 | 0 | 0 | 0 | 113.6 | V276 L280 P286 P296 I297 A300 V308 L309 V315 T316 | V276-L312 HydrophobicContact CG1-CD2 4.31Å; L280-L312 HydrophobicContact CD1-CD2 4.46Å; P286-L312 HydrophobicContact CB-CD2 4.31Å; P296-L312 HydrophobicContact CB-CD1 4.02Å; P296-L312 HydrophobicContact CB-CD2 4.37Å; I297-L312 HydrophobicContact CB-CB 4.27Å; I297-L312 HydrophobicContact CG1-CB 4.23Å; A300-L312 HydrophobicContact CB-CD1 3.99Å; V308-L312 HydrophobicContact CG1-CD1 3.68Å; V308-L312 HydrophobicContact CG1-CG 4.22Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.33Å; L309-L312 PolarHBondContact O-N 3.11Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L312-V315 HydrophobicContact CD2-CG2 4.28Å; L312-V315 VanDerWaalsContact O-CG2 3.31Å; L312-V315 WeakPolarHBondContact O-CG2 3.38Å; L312-V315 PolarHBondContact O-N 3.17Å; L312-T316 PolarHBondContact O-N 3.3Å; L312-T316 PolarHBondContact O-OG1 2.65Å |
| 313 | I | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -51.9 | 178.5 | -74.8 | 165.3 | 0 | 0 | 0 | 113.4 | I297 L309 V315 L343 L344 N347 F349 | I297-I313 HydrophobicContact CD1-CG1 4.01Å; L309-I313 HydrophobicContact CD1-CG1 4.31Å; L309-I313 HydrophobicContact CG-CD1 4.19Å; L309-I313 HydrophobicContact CG-CG1 4.47Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.35Å; L309-I313 PolarHBondContact O-N 2.92Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.41Å; I313-L343 HydrophobicContact CD1-CD2 4Å; I313-L343 HydrophobicContact CD1-CG 3.95Å; I313-L344 HydrophobicContact CD1-CD2 4.18Å; I313-L344 HydrophobicContact CG1-CD2 4.4Å; I313-N347 HydrophobicContact CD1-CB 4.41Å; I313-N347 HydrophobicContact CG2-CB 4.27Å; I313-F349 HydrophobicContact CG1-CE2 4.21Å; I313-F349 HydrophobicContact CG1-CZ 4.47Å; I313-F349 HydrophobicContact CG2-CE2 4.25Å |
| 314 | P | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -20.5 | -177.7 | 27.6 | -36.1 | 0 | 0 | 0 | 114.5 | R310 T311 | R310-P314 VanDerWaalsContact O-CD 3.23Å; R310-P314 WeakPolarHBondContact O-CD 3.41Å; T311-P314 WeakPolarHBondContact O-CD 3.36Å; T311-P314 WeakPolarHBondContact O-CG 3.28Å |
| 315 | V | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -14.7 | -175.7 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | L280 P286 N287 L312 I313 | L280-V315 HydrophobicContact CD1-CG2 4.45Å; L280-V315 HydrophobicContact CD2-CG2 4.41Å; P286-V315 HydrophobicContact CB-CG2 4.04Å; P286-V315 HydrophobicContact CG-CB 3.98Å; P286-V315 HydrophobicContact CG-CG2 3.81Å; P286-V315 WeakPolarHBondContact CG-O 3.47Å; N287-V315 PolarHBondContact ND2-O 3.41Å; L312-V315 HydrophobicContact CD2-CG2 4.28Å; L312-V315 VanDerWaalsContact O-CG2 3.31Å; L312-V315 WeakPolarHBondContact O-CG2 3.38Å; L312-V315 PolarHBondContact O-N 3.17Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.41Å |
| 316 | T | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -87.1 | 122 | 172.2 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | L295 I297 L312 I321 | L295-T316 HydrophobicContact CD1-CG2 4.09Å; I297-T316 HydrophobicContact CB-CG2 4.48Å; I297-T316 HydrophobicContact CG2-CG2 3.98Å; L312-T316 PolarHBondContact O-N 3.3Å; L312-T316 PolarHBondContact O-OG1 2.65Å; T316-I321 HydrophobicContact CG2-CD1 3.91Å; T316-I321 HydrophobicContact CG2-CG1 3.78Å |
| 317 | T | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | trans | -73.9 | 141.9 | -179.4 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | N287 R319 A320 I321 | N287-T317 WeakPolarHBondContact OD1-CB 3.46Å; N287-T317 WeakPolarHBondContact OD1-CG2 3.5Å; N287-T317 PolarHBondContact OD1-N 3.14Å; N287-T317 PolarHBondContact OD1-OG1 2.96Å; T317-R319 PolarHBondContact O-N 3.03Å; T317-R319 VanDerWaalsContact O-N 3.12Å; T317-A320 PolarHBondContact O-N 3.47Å; T317-A320 WeakPolarHBondContact OG1-CB 3.48Å; T317-A320 PolarHBondContact OG1-N 3.14Å; T317-A320 VanDerWaalsContact OG1-N 3.13Å; T317-I321 PolarHBondContact O-N 2.88Å | ||
| 318 | K | 97.3 | Very high | 98 | Very high | 180 Ų | 180 | 52.2 Ų | 52.2 | 78% | 0.783 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -56.6 | -27.9 | 171.1 | -63.3 | -173.8 | 179.1 | -174 | 0 | 112.8 | R322 | K318-R322 WeakPolarHBondContact O-CB 3.18Å; K318-R322 PolarHBondContact O-N 3.45Å; K318-R322 VanDerWaalsContact O-N 3.11Å |
| 319 | R | 97.9 | Very high | 97.9 | Very high | 162 Ų | 162 | 52.2 Ų | 52.2 | 61% | 0.611 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.4 | -46.1 | 174.5 | 176.3 | 176 | 170.6 | 100.7 | 5 | 111.2 | T317 R322 L323 | T317-R319 PolarHBondContact O-N 3.03Å; T317-R319 VanDerWaalsContact O-N 3.12Å; R319-R322 PolarHBondContact O-N 3.2Å; R319-L323 HydrophobicContact CG-CD1 3.91Å; R319-L323 HydrophobicContact CG-CG 4.4Å; R319-L323 WeakPolarHBondContact O-CG 3.47Å; R319-L323 PolarHBondContact O-N 3.45Å |
| 320 | A | 98.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N287 L295 T317 R322 L323 S324 | N287-A320 HydrophobicContact CB-CB 3.82Å; N287-A320 WeakPolarHBondContact OD1-CB 3.48Å; L295-A320 HydrophobicContact CD1-CB 3.94Å; L295-A320 HydrophobicContact CD2-CB 4.38Å; T317-A320 PolarHBondContact O-N 3.47Å; T317-A320 WeakPolarHBondContact OG1-CB 3.48Å; T317-A320 PolarHBondContact OG1-N 3.14Å; T317-A320 VanDerWaalsContact OG1-N 3.13Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 2.87Å; A320-L323 PolarHBondContact O-N 3.18Å; A320-L323 VanDerWaalsContact O-N 3.08Å; A320-S324 PolarHBondContact O-N 3.18Å; A320-S324 PolarHBondContact O-OG 3.01Å |
| 321 | I | 98.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.8 | -42.5 | 178.1 | -65.3 | 158.8 | 0 | 0 | 0 | 111.5 | L295 I297 T316 T317 S324 F349 | L295-I321 HydrophobicContact CD1-CG1 4.11Å; I297-I321 HydrophobicContact CG2-CG1 4.5Å; T316-I321 HydrophobicContact CG2-CD1 3.91Å; T316-I321 HydrophobicContact CG2-CG1 3.78Å; T317-I321 PolarHBondContact O-N 2.88Å; I321-S324 VanDerWaalsContact C-OG 3.24Å; I321-S324 VanDerWaalsContact CA-OG 3.31Å; I321-S324 WeakPolarHBondContact CA-OG 3.31Å; I321-S324 PolarHBondContact O-N 2.96Å; I321-S324 PolarHBondContact O-OG 3.31Å; I321-F349 HydrophobicContact CD1-CE1 3.98Å; I321-F349 HydrophobicContact CD1-CZ 4.35Å |
| 322 | R | 96.4 | Very high | 97.9 | Very high | 143 Ų | 143 | 44.2 Ų | 44.2 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -42 | 176.2 | -174.6 | 179.9 | 62.7 | -99.5 | 1.6 | 112.3 | K318 R319 A320 S324 G325 | K318-R322 WeakPolarHBondContact O-CB 3.18Å; K318-R322 PolarHBondContact O-N 3.45Å; K318-R322 VanDerWaalsContact O-N 3.11Å; R319-R322 PolarHBondContact O-N 3.2Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 2.87Å; R322-S324 VanDerWaalsContact C-N 3.29Å; R322-S324 PolarHBondContact O-N 3.33Å; R322-G325 PolarHBondContact O-N 2.86Å; R322-G325 VanDerWaalsContact O-N 3.12Å |
| 323 | L | 96.9 | Very high | 97.9 | Very high | 108 Ų | 108 | 44.2 Ų | 44.2 | 57% | 0.565 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -71 | -23.4 | -179.1 | -70 | 174.7 | 0 | 0 | 0 | 113.1 | R319 A320 G325 | R319-L323 HydrophobicContact CG-CD1 3.91Å; R319-L323 HydrophobicContact CG-CG 4.4Å; R319-L323 WeakPolarHBondContact O-CG 3.47Å; R319-L323 PolarHBondContact O-N 3.45Å; A320-L323 PolarHBondContact O-N 3.18Å; A320-L323 VanDerWaalsContact O-N 3.08Å; L323-G325 PolarHBondContact O-N 3.01Å |
| 324 | S | 96.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13 | 169.2 | 35.6 | 0 | 0 | 0 | 0 | 114 | C293 H298 A320 I321 R322 Q326 | C293-S324 WeakPolarHBondContact CB-O 3.32Å; C293-S324 WeakPolarHBondContact O-CB 3.41Å; H298-S324 PolarHBondContact CE1-OG 2.94Å; A320-S324 PolarHBondContact O-N 3.18Å; A320-S324 PolarHBondContact O-OG 3.01Å; I321-S324 VanDerWaalsContact C-OG 3.24Å; I321-S324 VanDerWaalsContact CA-OG 3.31Å; I321-S324 WeakPolarHBondContact CA-OG 3.31Å; I321-S324 PolarHBondContact O-N 2.96Å; I321-S324 PolarHBondContact O-OG 3.31Å; R322-S324 VanDerWaalsContact C-N 3.29Å; R322-S324 PolarHBondContact O-N 3.33Å; S324-Q326 PolarHBondContact O-N 3.02Å |
| 325 | G | 96.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 9.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R322 L323 L355 D356 | R322-G325 PolarHBondContact O-N 2.86Å; R322-G325 VanDerWaalsContact O-N 3.12Å; L323-G325 PolarHBondContact O-N 3.01Å; G325-L355 WeakPolarHBondContact O-CA 3.5Å; G325-D356 VanDerWaalsContact CA-CG 3.43Å; G325-D356 WeakPolarHBondContact CA-OD2 3.45Å; G325-D356 PolarHBondContact O-N 2.84Å |
| 326 | Q | 96 | Very high | 97.8 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -147.7 | 150.8 | 175.7 | 55.2 | 158.8 | 44.7 | 0 | 0 | 111.2 | H298 S324 L355 | H298-Q326 PolarHBondContact CD2-NE2 2.92Å; H298-Q326 PolarHBondContact CE1-O 3.29Å; H298-Q326 PolarHBondContact ND1-NE2 2.96Å; H298-Q326 PolarHBondContact NE2-NE2 2.75Å; H298-Q326 PolarHBondContact NE2-O 3.39Å; S324-Q326 PolarHBondContact O-N 3.02Å; Q326-L355 HydrophobicContact CB-CD2 3.42Å; Q326-L355 VanDerWaalsContact CB-CD2 3.42Å |
| 327 | S | 98.2 | Very high | 97.8 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | trans | -95.1 | 148.3 | 172.4 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | V329 H330 | S327-V329 PolarHBondContact O-N 2.95Å; S327-V329 VanDerWaalsContact O-N 3.08Å; S327-V329 PolarHBondContact OG-N 3.41Å; S327-H330 PolarHBondContact N-ND1 3.18Å; S327-H330 VanDerWaalsContact N-ND1 3.13Å; S327-H330 WeakPolarHBondContact O-CB 3.49Å; S327-H330 PolarHBondContact O-N 3.28Å; S327-H330 PolarHBondContact O-ND1 3.28Å; S327-H330 VanDerWaalsContact O-ND1 3.11Å | ||
| 328 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -17 | 172.3 | 26.2 | -36.6 | 0 | 0 | 0 | 114.2 | I297 A301 H330 S331 A332 L344 F349 | I297-P328 HydrophobicContact CD1-CG 4.19Å; I297-P328 HydrophobicContact CG1-CB 4.26Å; I297-P328 HydrophobicContact CG1-CG 4.42Å; A301-P328 HydrophobicContact CB-CB 4.05Å; P328-H330 VanDerWaalsContact C-N 3.31Å; P328-S331 PolarHBondContact O-N 2.99Å; P328-A332 PolarHBondContact O-N 3.48Å; P328-L344 HydrophobicContact CB-CD1 4.04Å; P328-L344 HydrophobicContact CB-CD2 4.06Å; P328-L344 HydrophobicContact CG-CD1 4.42Å; P328-L344 HydrophobicContact CG-CD2 3.79Å; P328-L344 WeakPolarHBondContact O-CD1 3.43Å; P328-F349 HydrophobicContact CG-CD1 3.69Å; P328-F349 HydrophobicContact CG-CE1 3.29Å; P328-F349 HydrophobicContact CG-CZ 3.98Å |
| 329 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -35.1 | 171.8 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | S327 A333 L341 L344 F349 I351 P370 L386 | S327-V329 PolarHBondContact O-N 2.95Å; S327-V329 VanDerWaalsContact O-N 3.08Å; S327-V329 PolarHBondContact OG-N 3.41Å; V329-A333 VanDerWaalsContact O-CB 3.32Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 3.25Å; V329-L341 HydrophobicContact CG1-CD2 3.78Å; V329-L344 HydrophobicContact CG2-CB 4.06Å; V329-L344 HydrophobicContact CG2-CD1 4.15Å; V329-F349 HydrophobicContact CG2-CB 3.55Å; V329-F349 HydrophobicContact CG2-CD1 4.46Å; V329-F349 HydrophobicContact CG2-CG 4.29Å; V329-I351 HydrophobicContact CG1-CG2 4.42Å; V329-P370 HydrophobicContact CB-CG 4.12Å; V329-P370 HydrophobicContact CG1-CB 3.79Å; V329-P370 HydrophobicContact CG1-CG 3.74Å; V329-L386 HydrophobicContact CG1-CD2 4.01Å |
| 330 | H | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 172.3 | -57.1 | 97.7 | 0 | 0 | 0 | 110.6 | S327 P328 A332 A333 D334 T353 K368 F373 | S327-H330 PolarHBondContact N-ND1 3.18Å; S327-H330 VanDerWaalsContact N-ND1 3.13Å; S327-H330 WeakPolarHBondContact O-CB 3.49Å; S327-H330 PolarHBondContact O-N 3.28Å; S327-H330 PolarHBondContact O-ND1 3.28Å; S327-H330 VanDerWaalsContact O-ND1 3.11Å; P328-H330 VanDerWaalsContact C-N 3.31Å; H330-A332 PolarHBondContact O-N 3.04Å; H330-A333 PolarHBondContact O-N 3.04Å; H330-D334 WeakPolarHBondContact O-CB 3.21Å; H330-D334 PolarHBondContact O-N 3.48Å; H330-T353 PolarHBondContact NE2-O 3.25Å; H330-K368 PolarHBondContact NE2-O 2.96Å; H330-F373 HydrophobicContact CB-CE2 4.39Å |
| 331 | S | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | -179.4 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | H298 Y302 P328 D334 G335 | H298-S331 PolarHBondContact CD2-OG 2.68Å; H298-S331 VanDerWaalsContact O-CB 3.32Å; H298-S331 WeakPolarHBondContact O-CB 3.46Å; Y302-S331 WeakPolarHBondContact CA-O 3.05Å; P328-S331 PolarHBondContact O-N 2.99Å; S331-D334 PolarHBondContact O-N 3.38Å; S331-G335 PolarHBondContact O-N 2.91Å |
| 332 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A301 P328 H330 G336 Q337 C340 L341 L344 | A301-A332 HydrophobicContact CB-CB 4.22Å; A301-A332 WeakPolarHBondContact O-CA 3.4Å; P328-A332 PolarHBondContact O-N 3.48Å; H330-A332 PolarHBondContact O-N 3.04Å; A332-G336 PolarHBondContact O-N 3.49Å; A332-G336 VanDerWaalsContact O-N 3.1Å; A332-Q337 HydrophobicContact CB-CB 4.46Å; A332-Q337 PolarHBondContact O-N 3.44Å; A332-C340 HydrophobicContact CB-CB 3.93Å; A332-L341 HydrophobicContact CB-CD2 3.73Å; A332-L341 HydrophobicContact CB-CG 3.81Å; A332-L344 HydrophobicContact CB-CD1 4Å |
| 333 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V329 H330 G336 L341 P370 F373 L386 | V329-A333 VanDerWaalsContact O-CB 3.32Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 3.25Å; H330-A333 PolarHBondContact O-N 3.04Å; A333-G336 PolarHBondContact O-N 2.74Å; A333-L341 HydrophobicContact CB-CD2 4.35Å; A333-P370 HydrophobicContact CB-CB 4Å; A333-P370 WeakPolarHBondContact CB-O 3.28Å; A333-F373 HydrophobicContact CB-CB 4.25Å; A333-L386 HydrophobicContact CB-CD1 4.08Å |
| 334 | D | 98 | Very high | 98.2 | Very high | 44 Ų | 44 | 22.4 Ų | 22.4 | 24% | 0.235 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 177 | -167.5 | 26.5 | 0 | 0 | 0 | 111.6 | Y302 H330 S331 G336 F373 N377 | Y302-D334 HydrophobicContact CD2-CB 4.26Å; Y302-D334 HydrophobicContact CE2-CB 4.19Å; H330-D334 WeakPolarHBondContact O-CB 3.21Å; H330-D334 PolarHBondContact O-N 3.48Å; S331-D334 PolarHBondContact O-N 3.38Å; D334-G336 VanDerWaalsContact C-N 3.28Å; D334-G336 PolarHBondContact O-N 3.36Å; D334-F373 HydrophobicContact CB-CB 4.32Å; D334-F373 HydrophobicContact CB-CD1 3.64Å; D334-F373 HydrophobicContact CB-CE1 4.23Å; D334-F373 HydrophobicContact CB-CG 4.19Å; D334-F373 WeakPolarHBondContact OD1-CD1 3.36Å; D334-N377 PolarHBondContact O-ND2 3.01Å; D334-N377 PolarHBondContact OD1-ND2 3.44Å |
| 335 | G | 97.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 25% | 0.247 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S331 Q337 | S331-G335 PolarHBondContact O-N 2.91Å; G335-Q337 PolarHBondContact O-NE2 3.4Å |
| 336 | G | 98.2 | Very high | 98.4 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 29.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A332 A333 D334 T338 D379 | A332-G336 PolarHBondContact O-N 3.49Å; A332-G336 VanDerWaalsContact O-N 3.1Å; A333-G336 PolarHBondContact O-N 2.74Å; D334-G336 VanDerWaalsContact C-N 3.28Å; D334-G336 PolarHBondContact O-N 3.36Å; G336-T338 PolarHBondContact O-N 3.42Å; G336-D379 VanDerWaalsContact CA-OD2 3.24Å; G336-D379 WeakPolarHBondContact CA-OD2 3.41Å |
| 337 | Q | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 35 Ų | 35 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | trans | -96.4 | 87.9 | -168.8 | -54 | -62.2 | -8.4 | 0 | 0 | 111.9 | A301 Y302 G304 A332 G335 E339 C340 L341 | A301-Q337 WeakPolarHBondContact O-CG 2.93Å; Y302-Q337 VanDerWaalsContact O-CG 3.25Å; Y302-Q337 WeakPolarHBondContact O-CG 3.44Å; Y302-Q337 PolarHBondContact O-NE2 3.08Å; Y302-Q337 VanDerWaalsContact O-NE2 3.08Å; G304-Q337 VanDerWaalsContact CA-CG 3.5Å; G304-Q337 VanDerWaalsContact CA-OE1 3.32Å; A332-Q337 HydrophobicContact CB-CB 4.46Å; A332-Q337 PolarHBondContact O-N 3.44Å; G335-Q337 PolarHBondContact O-NE2 3.4Å; Q337-E339 PolarHBondContact O-N 3.07Å; Q337-C340 HydrophobicContact CB-CB 3.84Å; Q337-C340 PolarHBondContact O-N 3.44Å; Q337-L341 PolarHBondContact O-N 3.31Å | ||
| 338 | T | 98.4 | Very high | 98.5 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -44 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | G336 C340 L341 Q342 T381 I385 | G336-T338 PolarHBondContact O-N 3.42Å; T338-C340 PolarHBondContact O-N 2.92Å; T338-L341 WeakPolarHBondContact O-CB 3.41Å; T338-L341 PolarHBondContact O-N 2.97Å; T338-Q342 WeakPolarHBondContact O-CG 3.41Å; T338-Q342 PolarHBondContact O-N 3.48Å; T338-T381 HydrophobicContact CG2-CG2 3.73Å; T338-I385 HydrophobicContact CG2-CD1 3.77Å |
| 339 | E | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.3 | -40.7 | 177.7 | -65.9 | -175.1 | -178.8 | 0 | 0 | 112 | T306 Q337 Q342 L343 | T306-E339 HydrophobicContact CG2-CB 4.43Å; T306-E339 WeakPolarHBondContact OG1-CB 3.4Å; T306-E339 PolarHBondContact OG1-OE2 3.32Å; Q337-E339 PolarHBondContact O-N 3.07Å; E339-Q342 PolarHBondContact O-N 3.16Å; E339-L343 WeakPolarHBondContact O-CB 3.38Å; E339-L343 PolarHBondContact O-N 3.18Å |
| 340 | C | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.1 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | L309 A332 Q337 T338 L343 L344 | L309-C340 HydrophobicContact CD2-CB 3.55Å; A332-C340 HydrophobicContact CB-CB 3.93Å; Q337-C340 HydrophobicContact CB-CB 3.84Å; Q337-C340 PolarHBondContact O-N 3.44Å; T338-C340 PolarHBondContact O-N 2.92Å; C340-L343 PolarHBondContact O-N 2.84Å; C340-L344 WeakPolarHBondContact O-CB 3.49Å; C340-L344 WeakPolarHBondContact O-CG 3.26Å; C340-L344 PolarHBondContact O-N 3.34Å |
| 341 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -50.2 | 174.1 | -78.2 | 176.1 | 0 | 0 | 0 | 111.4 | V329 A332 A333 Q337 T338 L343 L344 I345 C382 I385 L386 | V329-L341 HydrophobicContact CG1-CD2 3.78Å; A332-L341 HydrophobicContact CB-CD2 3.73Å; A332-L341 HydrophobicContact CB-CG 3.81Å; A333-L341 HydrophobicContact CB-CD2 4.35Å; Q337-L341 PolarHBondContact O-N 3.31Å; T338-L341 WeakPolarHBondContact O-CB 3.41Å; T338-L341 PolarHBondContact O-N 2.97Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 3.47Å; L341-L344 PolarHBondContact O-N 3.01Å; L341-I345 WeakPolarHBondContact O-CB 3.45Å; L341-I345 WeakPolarHBondContact O-CD1 3.4Å; L341-I345 VanDerWaalsContact O-CG1 3.23Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 3.22Å; L341-C382 HydrophobicContact CD1-CB 3.71Å; L341-C382 VanDerWaalsContact CD1-SG 3.54Å; L341-I385 HydrophobicContact CB-CG2 4.3Å; L341-L386 HydrophobicContact CD1-CG 4.36Å; L341-L386 HydrophobicContact CD2-CD2 4.08Å |
| 342 | Q | 98.7 | Very high | 98.4 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 178.5 | -72.1 | 176.8 | -3.6 | 0 | 0 | 111.7 | T338 E339 L344 I345 Q346 I385 | T338-Q342 WeakPolarHBondContact O-CG 3.41Å; T338-Q342 PolarHBondContact O-N 3.48Å; E339-Q342 PolarHBondContact O-N 3.16Å; Q342-L344 PolarHBondContact O-N 3.08Å; Q342-I345 PolarHBondContact O-N 3.32Å; Q342-Q346 WeakPolarHBondContact O-CB 3.13Å; Q342-Q346 WeakPolarHBondContact O-CG 3.5Å; Q342-Q346 PolarHBondContact O-N 3.39Å; Q342-I385 HydrophobicContact CG-CD1 4.44Å; Q342-I385 HydrophobicContact CG-CG2 4.33Å |
| 343 | L | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.7 | 179.7 | 65.6 | 0 | 0 | 0 | 111.7 | T306 L309 R310 I313 E339 C340 L341 Q346 N347 | T306-L343 HydrophobicContact CG2-CD2 3.98Å; L309-L343 HydrophobicContact CB-CD2 4.29Å; L309-L343 HydrophobicContact CD2-CD2 4.14Å; L309-L343 HydrophobicContact CG-CD2 4.04Å; R310-L343 HydrophobicContact CB-CD2 3.86Å; I313-L343 HydrophobicContact CD1-CD2 4Å; I313-L343 HydrophobicContact CD1-CG 3.95Å; E339-L343 WeakPolarHBondContact O-CB 3.38Å; E339-L343 PolarHBondContact O-N 3.18Å; C340-L343 PolarHBondContact O-N 2.84Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 3.47Å; L343-Q346 PolarHBondContact O-N 2.82Å; L343-N347 WeakPolarHBondContact CD1-ND2 3.29Å; L343-N347 PolarHBondContact O-N 3.06Å; L343-N347 PolarHBondContact O-ND2 3.02Å |
| 344 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 178.6 | -70.5 | 167.1 | 0 | 0 | 0 | 111.7 | A301 L309 I313 P328 V329 A332 C340 L341 Q342 N347 G348 F349 | A301-L344 HydrophobicContact CB-CD1 4.45Å; L309-L344 HydrophobicContact CD1-CD2 4.29Å; L309-L344 HydrophobicContact CD2-CD1 4.3Å; L309-L344 HydrophobicContact CD2-CD2 4.37Å; L309-L344 HydrophobicContact CD2-CG 4.1Å; I313-L344 HydrophobicContact CD1-CD2 4.18Å; I313-L344 HydrophobicContact CG1-CD2 4.4Å; P328-L344 HydrophobicContact CB-CD1 4.04Å; P328-L344 HydrophobicContact CB-CD2 4.06Å; P328-L344 HydrophobicContact CG-CD1 4.42Å; P328-L344 HydrophobicContact CG-CD2 3.79Å; P328-L344 WeakPolarHBondContact O-CD1 3.43Å; V329-L344 HydrophobicContact CG2-CB 4.06Å; V329-L344 HydrophobicContact CG2-CD1 4.15Å; A332-L344 HydrophobicContact CB-CD1 4Å; C340-L344 WeakPolarHBondContact O-CB 3.49Å; C340-L344 WeakPolarHBondContact O-CG 3.26Å; C340-L344 PolarHBondContact O-N 3.34Å; L341-L344 PolarHBondContact O-N 3.01Å; Q342-L344 PolarHBondContact O-N 3.08Å; L344-N347 CarbonylContact O-C 3.49Å; L344-N347 PolarHBondContact O-N 3.08Å; L344-G348 PolarHBondContact O-N 3.37Å; L344-F349 HydrophobicContact CB-CB 4.29Å; L344-F349 HydrophobicContact CB-CD2 4.18Å; L344-F349 HydrophobicContact CB-CG 4.32Å; L344-F349 HydrophobicContact CD2-CD1 4.28Å; L344-F349 HydrophobicContact CD2-CD2 3.69Å; L344-F349 HydrophobicContact CD2-CE1 4.23Å; L344-F349 HydrophobicContact CD2-CE2 3.63Å; L344-F349 HydrophobicContact CD2-CG 4.01Å; L344-F349 HydrophobicContact CD2-CZ 3.92Å; L344-F349 WeakPolarHBondContact O-CD2 3.44Å; L344-F349 PolarHBondContact O-N 3.02Å; L344-F349 VanDerWaalsContact O-N 3.13Å |
| 345 | I | 98.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 175.6 | -68.7 | 160.6 | 0 | 0 | 0 | 110.3 | L341 Q342 N347 G348 I351 I385 A389 | L341-I345 WeakPolarHBondContact O-CB 3.45Å; L341-I345 WeakPolarHBondContact O-CD1 3.4Å; L341-I345 VanDerWaalsContact O-CG1 3.23Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 3.22Å; Q342-I345 PolarHBondContact O-N 3.32Å; I345-N347 PolarHBondContact O-N 3.45Å; I345-G348 PolarHBondContact O-N 2.88Å; I345-I351 HydrophobicContact CD1-CG2 4.24Å; I345-I351 HydrophobicContact CG1-CG2 3.7Å; I345-I385 HydrophobicContact CD1-CG2 3.75Å; I345-A389 HydrophobicContact CD1-CB 3.78Å; I345-A389 HydrophobicContact CG1-CB 4.24Å; I345-A389 HydrophobicContact CG2-CB 4.19Å |
| 346 | Q | 98.4 | Very high | 98 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -29.6 | 176.9 | -72 | 168 | 12.3 | 0 | 0 | 112.9 | Q342 L343 G348 | Q342-Q346 WeakPolarHBondContact O-CB 3.13Å; Q342-Q346 WeakPolarHBondContact O-CG 3.5Å; Q342-Q346 PolarHBondContact O-N 3.39Å; L343-Q346 PolarHBondContact O-N 2.82Å; Q346-G348 VanDerWaalsContact C-N 3.3Å |
| 347 | N | 98.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 58.6 Ų | 58.6 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.1 | 176 | -77.2 | -88.6 | 0 | 0 | 0 | 113.6 | I313 L343 L344 I345 F349 | I313-N347 HydrophobicContact CD1-CB 4.41Å; I313-N347 HydrophobicContact CG2-CB 4.27Å; L343-N347 WeakPolarHBondContact CD1-ND2 3.29Å; L343-N347 PolarHBondContact O-N 3.06Å; L343-N347 PolarHBondContact O-ND2 3.02Å; L344-N347 CarbonylContact O-C 3.49Å; L344-N347 PolarHBondContact O-N 3.08Å; I345-N347 PolarHBondContact O-N 3.45Å; N347-F349 HydrophobicContact CB-CD2 4.15Å; N347-F349 HydrophobicContact CB-CE2 4.18Å |
| 348 | G | 97.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 69% | 0.691 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 27 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L344 I345 Q346 | L344-G348 PolarHBondContact O-N 3.37Å; I345-G348 PolarHBondContact O-N 2.88Å; Q346-G348 VanDerWaalsContact C-N 3.3Å |
| 349 | F | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | trans | -70.8 | 136.2 | 168.1 | -75.7 | -102.6 | 0 | 0 | 0 | 110.2 | I297 I313 I321 P328 V329 L344 N347 I351 | I297-F349 HydrophobicContact CD1-CZ 4.18Å; I313-F349 HydrophobicContact CG1-CE2 4.21Å; I313-F349 HydrophobicContact CG1-CZ 4.47Å; I313-F349 HydrophobicContact CG2-CE2 4.25Å; I321-F349 HydrophobicContact CD1-CE1 3.98Å; I321-F349 HydrophobicContact CD1-CZ 4.35Å; P328-F349 HydrophobicContact CG-CD1 3.69Å; P328-F349 HydrophobicContact CG-CE1 3.29Å; P328-F349 HydrophobicContact CG-CZ 3.98Å; V329-F349 HydrophobicContact CG2-CB 3.55Å; V329-F349 HydrophobicContact CG2-CD1 4.46Å; V329-F349 HydrophobicContact CG2-CG 4.29Å; L344-F349 HydrophobicContact CB-CB 4.29Å; L344-F349 HydrophobicContact CB-CD2 4.18Å; L344-F349 HydrophobicContact CB-CG 4.32Å; L344-F349 HydrophobicContact CD2-CD1 4.28Å; L344-F349 HydrophobicContact CD2-CD2 3.69Å; L344-F349 HydrophobicContact CD2-CE1 4.23Å; L344-F349 HydrophobicContact CD2-CE2 3.63Å; L344-F349 HydrophobicContact CD2-CG 4.01Å; L344-F349 HydrophobicContact CD2-CZ 3.92Å; L344-F349 WeakPolarHBondContact O-CD2 3.44Å; L344-F349 PolarHBondContact O-N 3.02Å; L344-F349 VanDerWaalsContact O-N 3.13Å; N347-F349 HydrophobicContact CB-CD2 4.15Å; N347-F349 HydrophobicContact CB-CE2 4.18Å; F349-I351 PolarHBondContact O-N 3.33Å | ||
| 350 | D | 97.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 52.9 Ų | 52.9 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | trans | -71.2 | 118.1 | 179.2 | -178.8 | 6.1 | 0 | 0 | 0 | 110.7 | N352 T353 | D350-N352 VanDerWaalsContact C-N 3.26Å; D350-N352 PolarHBondContact O-N 2.96Å; D350-N352 PolarHBondContact OD1-N 3.12Å; D350-T353 WeakPolarHBondContact O-CB 3.23Å; D350-T353 WeakPolarHBondContact O-CG2 3.29Å; D350-T353 PolarHBondContact O-N 2.92Å | ||
| 351 | I | 98 | Very high | 96.5 | Very high | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -16.2 | 179.2 | 52.1 | 54.5 | 0 | 0 | 0 | 113.5 | V329 I345 F349 P370 L386 A389 A391 | V329-I351 HydrophobicContact CG1-CG2 4.42Å; I345-I351 HydrophobicContact CD1-CG2 4.24Å; I345-I351 HydrophobicContact CG1-CG2 3.7Å; F349-I351 PolarHBondContact O-N 3.33Å; I351-P370 WeakPolarHBondContact O-CD 3.38Å; I351-L386 HydrophobicContact CB-CD2 4.29Å; I351-L386 HydrophobicContact CG2-CD2 4.11Å; I351-A389 HydrophobicContact CG1-CB 4.29Å; I351-A389 HydrophobicContact CG2-CB 4.16Å; I351-A391 HydrophobicContact CD1-CB 4.33Å |
| 352 | N | 98 | Very high | 96.1 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 20% | 0.203 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 7.3 | -179.7 | -76.3 | -47.6 | 0 | 0 | 0 | 112.3 | D350 Q354 G390 A391 R392 L395 | D350-N352 VanDerWaalsContact C-N 3.26Å; D350-N352 PolarHBondContact O-N 2.96Å; D350-N352 PolarHBondContact OD1-N 3.12Å; N352-Q354 PolarHBondContact O-N 3.44Å; N352-G390 PolarHBondContact ND2-O 3.46Å; N352-G390 VanDerWaalsContact ND2-O 3.17Å; N352-A391 WeakPolarHBondContact OD1-CA 3.28Å; N352-R392 WeakPolarHBondContact OD1-CB 3.31Å; N352-R392 PolarHBondContact OD1-N 2.86Å; N352-L395 HydrophobicContact CB-CD1 3.77Å; N352-L395 WeakPolarHBondContact OD1-CD1 3.49Å |
| 353 | T | 96.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 23% | 0.233 | 32% | 0.323 | C | S | . | . | trans | -54.5 | 139.4 | 172.9 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | H330 D350 P370 | H330-T353 PolarHBondContact NE2-O 3.25Å; D350-T353 WeakPolarHBondContact O-CB 3.23Å; D350-T353 WeakPolarHBondContact O-CG2 3.29Å; D350-T353 PolarHBondContact O-N 2.92Å; T353-P370 HydrophobicContact CG2-CG 4.32Å; T353-P370 WeakPolarHBondContact O-CD 3.39Å | ||
| 354 | Q | 97.4 | Very high | 95 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -106.6 | 145.8 | 179.8 | -62.3 | -174.2 | -65.8 | 0 | 0 | 109.5 | N352 K368 T369 L395 | N352-Q354 PolarHBondContact O-N 3.44Å; Q354-K368 CarbonylContact C-O 3.51Å; Q354-K368 WeakPolarHBondContact CA-O 3.27Å; Q354-K368 HydrophobicContact CB-CB 4.19Å; Q354-K368 HydrophobicContact CG-CB 4.41Å; Q354-T369 HydrophobicContact CG-CG2 4.43Å; Q354-L395 PolarHBondContact NE2-O 3.37Å; Q354-L395 VanDerWaalsContact NE2-O 3.15Å | ||
| 355 | L | 96.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | trans | -57 | 142.2 | 165.6 | -67.8 | 179.7 | 0 | 0 | 0 | 110.8 | G325 Q326 I359 Y363 K368 F373 | G325-L355 WeakPolarHBondContact O-CA 3.5Å; Q326-L355 HydrophobicContact CB-CD2 3.42Å; Q326-L355 VanDerWaalsContact CB-CD2 3.42Å; L355-I359 HydrophobicContact CB-CB 4.48Å; L355-I359 HydrophobicContact CD1-CG2 4.11Å; L355-I359 HydrophobicContact CD2-CG2 4.06Å; L355-I359 HydrophobicContact CG-CG2 4.5Å; L355-Y363 HydrophobicContact CD1-CD2 4.4Å; L355-Y363 HydrophobicContact CD1-CE2 4.05Å; L355-K368 PolarHBondContact N-O 3.3Å; L355-F373 HydrophobicContact CD1-CE2 3.84Å; L355-F373 HydrophobicContact CD1-CZ 3.92Å | ||
| 356 | D | 95.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 69.1 Ų | 69.1 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | trans | -62.7 | 151.4 | 168.7 | -85.7 | 2.7 | 0 | 0 | 0 | 110.4 | G325 H358 I359 S360 | G325-D356 VanDerWaalsContact CA-CG 3.43Å; G325-D356 WeakPolarHBondContact CA-OD2 3.45Å; G325-D356 PolarHBondContact O-N 2.84Å; D356-H358 VanDerWaalsContact C-N 3.32Å; D356-H358 VanDerWaalsContact CB-CE1 3.46Å; D356-H358 WeakPolarHBondContact CB-CE1 3.31Å; D356-H358 PolarHBondContact O-N 2.71Å; D356-H358 IonicContact OD2-CE1 3.97Å; D356-I359 PolarHBondContact O-N 2.81Å; D356-S360 PolarHBondContact O-N 2.9Å; D356-S360 PolarHBondContact O-OG 3.44Å | ||
| 357 | K | 92.9 | Very high | 93.4 | Very high | 148 Ų | 148 | 63.3 Ų | 63.3 | 64% | 0.643 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -50.8 | -50.4 | -174.6 | -176.2 | 177.8 | 170.6 | -174 | 0 | 112.4 | I359 S360 E361 | K357-I359 PolarHBondContact O-N 3.07Å; K357-S360 WeakPolarHBondContact CA-OG 3.09Å; K357-S360 PolarHBondContact O-N 2.85Å; K357-S360 PolarHBondContact O-OG 3.01Å; K357-E361 WeakPolarHBondContact CE-OE1 3.28Å; K357-E361 HydrophobicContact CG-CG 4.28Å; K357-E361 IonicContact NZ-OE1 3.99Å; K357-E361 WeakPolarHBondContact O-CB 3.16Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.39Å; K357-E361 PolarHBondContact O-N 3.49Å |
| 358 | H | 90.8 | Very high | 93.3 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -23.9 | -178.8 | 70 | -81.8 | 0 | 0 | 0 | 114 | D356 N362 | D356-H358 VanDerWaalsContact C-N 3.32Å; D356-H358 VanDerWaalsContact CB-CE1 3.46Å; D356-H358 WeakPolarHBondContact CB-CE1 3.31Å; D356-H358 PolarHBondContact O-N 2.71Å; D356-H358 IonicContact OD2-CE1 3.97Å; H358-N362 PolarHBondContact O-ND2 3.47Å |
| 359 | I | 93.5 | Very high | 93.3 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -84.2 | -47.5 | 172.9 | -54.3 | -61.4 | 0 | 0 | 0 | 109.9 | C293 L355 D356 K357 E361 N362 Y363 | C293-I359 HydrophobicContact CB-CD1 3.99Å; L355-I359 HydrophobicContact CB-CB 4.48Å; L355-I359 HydrophobicContact CD1-CG2 4.11Å; L355-I359 HydrophobicContact CD2-CG2 4.06Å; L355-I359 HydrophobicContact CG-CG2 4.5Å; D356-I359 PolarHBondContact O-N 2.81Å; K357-I359 PolarHBondContact O-N 3.07Å; I359-E361 PolarHBondContact O-N 3.09Å; I359-N362 WeakPolarHBondContact O-CB 3.5Å; I359-N362 PolarHBondContact O-N 3.37Å; I359-N362 VanDerWaalsContact O-N 3.09Å; I359-Y363 HydrophobicContact CG2-CE2 4.44Å |
| 360 | S | 92.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -31.3 | -178.5 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | D356 K357 N362 Y363 R367 | D356-S360 PolarHBondContact O-N 2.9Å; D356-S360 PolarHBondContact O-OG 3.44Å; K357-S360 WeakPolarHBondContact CA-OG 3.09Å; K357-S360 PolarHBondContact O-N 2.85Å; K357-S360 PolarHBondContact O-OG 3.01Å; S360-N362 PolarHBondContact O-N 3.41Å; S360-Y363 PolarHBondContact O-N 2.94Å; S360-Y363 VanDerWaalsContact O-N 3.14Å; S360-R367 WeakPolarHBondContact CB-O 3.41Å |
| 361 | E | 90.8 | Very high | 93.4 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.5 | 178.1 | -75.4 | 174.7 | 158.6 | 0 | 0 | 113.4 | K357 I359 Y363 L366 | K357-E361 WeakPolarHBondContact CE-OE1 3.28Å; K357-E361 HydrophobicContact CG-CG 4.28Å; K357-E361 IonicContact NZ-OE1 3.99Å; K357-E361 WeakPolarHBondContact O-CB 3.16Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.39Å; K357-E361 PolarHBondContact O-N 3.49Å; I359-E361 PolarHBondContact O-N 3.09Å; E361-Y363 PolarHBondContact O-N 2.95Å; E361-L366 HydrophobicContact CG-CD2 4.32Å |
| 362 | N | 89.8 | Confident | 93.4 | Very high | 123 Ų | 123 | 51.9 Ų | 51.9 | 66% | 0.658 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.5 | 172.9 | -62.1 | -33.9 | 0 | 0 | 0 | 112.3 | H358 I359 S360 | H358-N362 PolarHBondContact O-ND2 3.47Å; I359-N362 WeakPolarHBondContact O-CB 3.5Å; I359-N362 PolarHBondContact O-N 3.37Å; I359-N362 VanDerWaalsContact O-N 3.09Å; S360-N362 PolarHBondContact O-N 3.41Å |
| 363 | Y | 88.9 | Confident | 93.4 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96.6 | 124.4 | 173.5 | -63.5 | -87.5 | 0 | 0 | 0 | 110 | L355 I359 S360 E361 D365 L366 R367 F373 | L355-Y363 HydrophobicContact CD1-CD2 4.4Å; L355-Y363 HydrophobicContact CD1-CE2 4.05Å; I359-Y363 HydrophobicContact CG2-CE2 4.44Å; S360-Y363 PolarHBondContact O-N 2.94Å; S360-Y363 VanDerWaalsContact O-N 3.14Å; E361-Y363 PolarHBondContact O-N 2.95Å; Y363-D365 WeakPolarHBondContact CB-OD1 3.44Å; Y363-D365 PolarHBondContact O-N 3.46Å; Y363-L366 PolarHBondContact O-N 2.86Å; Y363-R367 HydrophobicContact CD1-CG 3.97Å; Y363-R367 HydrophobicContact CD2-CG 3.89Å; Y363-R367 HydrophobicContact CE1-CG 4.5Å; Y363-R367 HydrophobicContact CE2-CG 4.42Å; Y363-R367 HydrophobicContact CG-CG 3.63Å; Y363-F373 HydrophobicContact CE1-CE1 4.01Å; Y363-F373 HydrophobicContact CE1-CZ 4.24Å; Y363-F373 HydrophobicContact CE2-CZ 4.09Å; Y363-F373 AromaticContact CZ-CE1 3.85Å; Y363-F373 AromaticContact CZ-CZ 3.75Å |
| 364 | G | 84.8 | Confident | 93.4 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 95% | 0.948 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 365 | D | 85.6 | Confident | 93.5 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 2.5 | 175.2 | 64.4 | 1.3 | 0 | 0 | 0 | 114.1 | Y363 R367 Y372 | Y363-D365 WeakPolarHBondContact CB-OD1 3.44Å; Y363-D365 PolarHBondContact O-N 3.46Å; D365-R367 PolarHBondContact O-N 2.95Å; D365-R367 IonicContact OD1-CZ 2.75Å; D365-R367 PolarHBondContact OD1-N 3.48Å; D365-R367 IonicContact OD1-NE 3.73Å; D365-R367 PolarHBondContact OD1-NE 3.47Å; D365-R367 IonicContact OD1-NH2 3.47Å; D365-R367 IonicContact OD2-CZ 3.88Å; D365-R367 IonicContact OD2-NE 3.01Å; D365-R367 PolarHBondContact OD2-NE 3.25Å; D365-R367 IonicContact OD2-NH2 2.75Å; D365-R367 PolarHBondContact OD2-NH2 3.41Å; D365-Y372 WeakPolarHBondContact CB-OH 3.26Å; D365-Y372 VanDerWaalsContact CG-OH 3.25Å; D365-Y372 WeakPolarHBondContact OD2-CE1 3.47Å; D365-Y372 PolarHBondContact OD2-OH 3.36Å |
| 366 | L | 84.8 | Confident | 93.4 | Very high | 79 Ų | 79 | 45.3 Ų | 45.3 | 41% | 0.414 | 24% | 0.243 | S | C | . | . | trans | 53.6 | 34.3 | 178.7 | -54.7 | 175.6 | 0 | 0 | 0 | 113.3 | E361 Y363 K368 | E361-L366 HydrophobicContact CG-CD2 4.32Å; Y363-L366 PolarHBondContact O-N 2.86Å; L366-K368 WeakPolarHBondContact O-CG 3.48Å | ||
| 367 | R | 93 | Very high | 93.5 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | trans | -56.3 | 145.7 | 176 | 66.9 | -176 | 64.3 | -172.7 | -9.1 | 111.6 | S360 Y363 D365 Y372 F373 S376 | S360-R367 WeakPolarHBondContact CB-O 3.41Å; Y363-R367 HydrophobicContact CD1-CG 3.97Å; Y363-R367 HydrophobicContact CD2-CG 3.89Å; Y363-R367 HydrophobicContact CE1-CG 4.5Å; Y363-R367 HydrophobicContact CE2-CG 4.42Å; Y363-R367 HydrophobicContact CG-CG 3.63Å; D365-R367 PolarHBondContact O-N 2.95Å; D365-R367 IonicContact OD1-CZ 2.75Å; D365-R367 PolarHBondContact OD1-N 3.48Å; D365-R367 IonicContact OD1-NE 3.73Å; D365-R367 PolarHBondContact OD1-NE 3.47Å; D365-R367 IonicContact OD1-NH2 3.47Å; D365-R367 IonicContact OD2-CZ 3.88Å; D365-R367 IonicContact OD2-NE 3.01Å; D365-R367 PolarHBondContact OD2-NE 3.25Å; D365-R367 IonicContact OD2-NH2 2.75Å; D365-R367 PolarHBondContact OD2-NH2 3.41Å; R367-Y372 HydrophobicContact CB-CD1 3.23Å; R367-Y372 HydrophobicContact CB-CD2 4.5Å; R367-Y372 HydrophobicContact CB-CE1 3.4Å; R367-Y372 VanDerWaalsContact CB-CE1 3.4Å; R367-Y372 HydrophobicContact CB-CG 3.84Å; R367-Y372 HydrophobicContact CG-CD1 4.3Å; R367-Y372 HydrophobicContact CG-CE1 4.45Å; R367-F373 VanDerWaalsContact CD-CZ 3.4Å; R367-F373 HydrophobicContact CG-CE2 4.09Å; R367-F373 HydrophobicContact CG-CZ 3.94Å; R367-S376 PolarHBondContact NH2-OG 3.26Å | ||
| 368 | K | 96.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 26% | 0.261 | 23% | 0.226 | S | C | . | . | trans | -134 | -36.6 | -176.5 | -64.2 | -171.6 | 179.4 | -174.6 | 0 | 114.3 | H330 Q354 L355 L366 D396 | H330-K368 PolarHBondContact NE2-O 2.96Å; Q354-K368 CarbonylContact C-O 3.51Å; Q354-K368 WeakPolarHBondContact CA-O 3.27Å; Q354-K368 HydrophobicContact CB-CB 4.19Å; Q354-K368 HydrophobicContact CG-CB 4.41Å; L355-K368 PolarHBondContact N-O 3.3Å; L366-K368 WeakPolarHBondContact O-CG 3.48Å; K368-D396 WeakPolarHBondContact CA-OD1 3.34Å; K368-D396 PolarHBondContact N-OD1 3.01Å | ||
| 369 | T | 98 | Very high | 94 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -98.8 | 155.1 | -171.9 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | Q354 L371 Y372 F373 L395 D396 | Q354-T369 HydrophobicContact CG-CG2 4.43Å; T369-L371 VanDerWaalsContact C-N 3.26Å; T369-L371 PolarHBondContact O-N 3.24Å; T369-Y372 WeakPolarHBondContact O-CB 3.42Å; T369-Y372 PolarHBondContact O-N 2.92Å; T369-Y372 VanDerWaalsContact O-N 3.14Å; T369-Y372 PolarHBondContact OG1-N 3.41Å; T369-Y372 VanDerWaalsContact OG1-N 3.16Å; T369-F373 WeakPolarHBondContact O-CD2 3.27Å; T369-F373 PolarHBondContact O-N 3.39Å; T369-L395 HydrophobicContact CG2-CB 3.56Å; T369-L395 HydrophobicContact CG2-CD1 4.02Å; T369-L395 HydrophobicContact CG2-CG 4.43Å; T369-D396 WeakPolarHBondContact CB-OD2 3.46Å; T369-D396 VanDerWaalsContact CG2-OD2 3.28Å; T369-D396 WeakPolarHBondContact CG2-OD2 3.33Å; T369-D396 PolarHBondContact N-OD1 3.31Å; T369-D396 PolarHBondContact OG1-OD2 3.41Å |
| 370 | P | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -38.6 | 170.9 | -24.4 | 34 | 0 | 0 | 0 | 113 | V329 A333 I351 T353 Y372 F373 A374 L386 | V329-P370 HydrophobicContact CB-CG 4.12Å; V329-P370 HydrophobicContact CG1-CB 3.79Å; V329-P370 HydrophobicContact CG1-CG 3.74Å; A333-P370 HydrophobicContact CB-CB 4Å; A333-P370 WeakPolarHBondContact CB-O 3.28Å; I351-P370 WeakPolarHBondContact O-CD 3.38Å; T353-P370 HydrophobicContact CG2-CG 4.32Å; T353-P370 WeakPolarHBondContact O-CD 3.39Å; P370-Y372 VanDerWaalsContact C-N 3.26Å; P370-Y372 PolarHBondContact O-N 3.3Å; P370-F373 WeakPolarHBondContact O-CB 3.3Å; P370-F373 PolarHBondContact O-N 3.29Å; P370-F373 VanDerWaalsContact O-N 3.11Å; P370-A374 PolarHBondContact O-N 2.89Å; P370-L386 HydrophobicContact CB-CD1 4.15Å; P370-L386 HydrophobicContact CB-CD2 4.23Å |
| 371 | L | 98.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 177.5 | 179.1 | 62.9 | 0 | 0 | 0 | 111.5 | T369 F373 A374 V375 A383 L386 L387 A391 T393 L416 | T369-L371 VanDerWaalsContact C-N 3.26Å; T369-L371 PolarHBondContact O-N 3.24Å; L371-F373 VanDerWaalsContact C-N 3.32Å; L371-F373 PolarHBondContact O-N 2.94Å; L371-A374 PolarHBondContact O-N 3.34Å; L371-V375 HydrophobicContact CD1-CG2 4.14Å; L371-V375 HydrophobicContact CG-CG2 4.36Å; L371-V375 WeakPolarHBondContact O-CB 3.45Å; L371-V375 VanDerWaalsContact O-CG2 3.31Å; L371-V375 WeakPolarHBondContact O-CG2 3.26Å; L371-V375 PolarHBondContact O-N 3.09Å; L371-A383 HydrophobicContact CD1-CB 4.12Å; L371-L386 HydrophobicContact CB-CD1 4.47Å; L371-L386 HydrophobicContact CD1-CB 4.29Å; L371-L387 HydrophobicContact CD1-CD1 4.46Å; L371-L387 HydrophobicContact CD1-CD2 4.18Å; L371-L387 HydrophobicContact CD1-CG 3.97Å; L371-L387 HydrophobicContact CD2-CD2 3.78Å; L371-L387 HydrophobicContact CD2-CG 4.49Å; L371-A391 HydrophobicContact CB-CB 4.14Å; L371-A391 HydrophobicContact CD2-CB 4.09Å; L371-T393 HydrophobicContact CD2-CG2 4.07Å; L371-L416 HydrophobicContact CD2-CD2 4.34Å |
| 372 | Y | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.7 | -168.6 | -73.2 | 0 | 0 | 0 | 111.9 | D365 R367 T369 P370 V375 S376 D396 L398 C400 V403 | D365-Y372 WeakPolarHBondContact CB-OH 3.26Å; D365-Y372 VanDerWaalsContact CG-OH 3.25Å; D365-Y372 WeakPolarHBondContact OD2-CE1 3.47Å; D365-Y372 PolarHBondContact OD2-OH 3.36Å; R367-Y372 HydrophobicContact CB-CD1 3.23Å; R367-Y372 HydrophobicContact CB-CD2 4.5Å; R367-Y372 HydrophobicContact CB-CE1 3.4Å; R367-Y372 VanDerWaalsContact CB-CE1 3.4Å; R367-Y372 HydrophobicContact CB-CG 3.84Å; R367-Y372 HydrophobicContact CG-CD1 4.3Å; R367-Y372 HydrophobicContact CG-CE1 4.45Å; T369-Y372 WeakPolarHBondContact O-CB 3.42Å; T369-Y372 PolarHBondContact O-N 2.92Å; T369-Y372 VanDerWaalsContact O-N 3.14Å; T369-Y372 PolarHBondContact OG1-N 3.41Å; T369-Y372 VanDerWaalsContact OG1-N 3.16Å; P370-Y372 VanDerWaalsContact C-N 3.26Å; P370-Y372 PolarHBondContact O-N 3.3Å; Y372-V375 PolarHBondContact O-N 3.11Å; Y372-S376 WeakPolarHBondContact O-CB 3.39Å; Y372-S376 PolarHBondContact O-N 2.98Å; Y372-D396 HydrophobicContact CD2-CB 3.68Å; Y372-D396 HydrophobicContact CE2-CB 4.29Å; Y372-L398 HydrophobicContact CE2-CB 4.37Å; Y372-L398 VanDerWaalsContact CE2-O 3.26Å; Y372-L398 WeakPolarHBondContact CE2-O 3.34Å; Y372-C400 HydrophobicContact CD2-CB 4.38Å; Y372-V403 HydrophobicContact CD2-CG2 4.49Å; Y372-V403 HydrophobicContact CE2-CG2 3.55Å; Y372-V403 WeakPolarHBondContact OH-CG2 3.31Å |
| 373 | F | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -51.2 | 176.3 | -79.3 | -89.3 | 0 | 0 | 0 | 111.6 | H330 A333 D334 L355 Y363 R367 T369 P370 L371 V375 S376 N377 | H330-F373 HydrophobicContact CB-CE2 4.39Å; A333-F373 HydrophobicContact CB-CB 4.25Å; D334-F373 HydrophobicContact CB-CB 4.32Å; D334-F373 HydrophobicContact CB-CD1 3.64Å; D334-F373 HydrophobicContact CB-CE1 4.23Å; D334-F373 HydrophobicContact CB-CG 4.19Å; D334-F373 WeakPolarHBondContact OD1-CD1 3.36Å; L355-F373 HydrophobicContact CD1-CE2 3.84Å; L355-F373 HydrophobicContact CD1-CZ 3.92Å; Y363-F373 HydrophobicContact CE1-CE1 4.01Å; Y363-F373 HydrophobicContact CE1-CZ 4.24Å; Y363-F373 HydrophobicContact CE2-CZ 4.09Å; Y363-F373 AromaticContact CZ-CE1 3.85Å; Y363-F373 AromaticContact CZ-CZ 3.75Å; R367-F373 VanDerWaalsContact CD-CZ 3.4Å; R367-F373 HydrophobicContact CG-CE2 4.09Å; R367-F373 HydrophobicContact CG-CZ 3.94Å; T369-F373 WeakPolarHBondContact O-CD2 3.27Å; T369-F373 PolarHBondContact O-N 3.39Å; P370-F373 WeakPolarHBondContact O-CB 3.3Å; P370-F373 PolarHBondContact O-N 3.29Å; P370-F373 VanDerWaalsContact O-N 3.11Å; L371-F373 VanDerWaalsContact C-N 3.32Å; L371-F373 PolarHBondContact O-N 2.94Å; F373-V375 VanDerWaalsContact C-N 3.34Å; F373-V375 PolarHBondContact O-N 3.33Å; F373-S376 PolarHBondContact O-N 3.47Å; F373-N377 WeakPolarHBondContact O-CB 3.42Å; F373-N377 VanDerWaalsContact O-CG 3.28Å; F373-N377 PolarHBondContact O-N 3.47Å |
| 374 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P370 L371 N377 G378 D379 C382 A383 L386 | P370-A374 PolarHBondContact O-N 2.89Å; L371-A374 PolarHBondContact O-N 3.34Å; A374-N377 PolarHBondContact O-N 3.31Å; A374-G378 PolarHBondContact O-N 2.89Å; A374-D379 PolarHBondContact O-N 2.85Å; A374-C382 HydrophobicContact CB-CB 3.88Å; A374-A383 HydrophobicContact CB-CB 4.18Å; A374-L386 HydrophobicContact CB-CD1 4.21Å |
| 375 | V | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | L371 Y372 F373 N377 G378 A383 C400 V403 A404 R409 L412 L416 | L371-V375 HydrophobicContact CD1-CG2 4.14Å; L371-V375 HydrophobicContact CG-CG2 4.36Å; L371-V375 WeakPolarHBondContact O-CB 3.45Å; L371-V375 VanDerWaalsContact O-CG2 3.31Å; L371-V375 WeakPolarHBondContact O-CG2 3.26Å; L371-V375 PolarHBondContact O-N 3.09Å; Y372-V375 PolarHBondContact O-N 3.11Å; F373-V375 VanDerWaalsContact C-N 3.34Å; F373-V375 PolarHBondContact O-N 3.33Å; V375-N377 VanDerWaalsContact C-N 3.32Å; V375-G378 PolarHBondContact O-N 3.13Å; V375-A383 HydrophobicContact CG2-CB 4.3Å; V375-C400 HydrophobicContact CB-CB 4.25Å; V375-C400 HydrophobicContact CG1-CB 4.11Å; V375-C400 WeakPolarHBondContact CG1-O 3.44Å; V375-C400 HydrophobicContact CG2-CB 4.22Å; V375-V403 HydrophobicContact CG1-CB 4.41Å; V375-A404 HydrophobicContact CG1-CB 4.01Å; V375-R409 PolarHBondContact O-NH1 2.85Å; V375-L412 HydrophobicContact CG1-CD1 4.33Å; V375-L416 HydrophobicContact CG1-CD1 4.23Å; V375-L416 HydrophobicContact CG2-CD1 4.12Å; V375-L416 HydrophobicContact CG2-CD2 4.23Å |
| 376 | S | 96.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | R367 Y372 F373 G378 R409 | R367-S376 PolarHBondContact NH2-OG 3.26Å; Y372-S376 WeakPolarHBondContact O-CB 3.39Å; Y372-S376 PolarHBondContact O-N 2.98Å; F373-S376 PolarHBondContact O-N 3.47Å; S376-G378 VanDerWaalsContact C-N 3.32Å; S376-R409 VanDerWaalsContact C-NH1 3.31Å; S376-R409 PolarHBondContact O-NH1 2.96Å; S376-R409 PolarHBondContact O-NH2 3.19Å |
| 377 | N | 95.8 | Very high | 97.7 | Very high | 72 Ų | 72 | 23.4 Ų | 23.4 | 39% | 0.385 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -78.7 | -20.5 | -179.3 | -66.2 | -6.3 | 0 | 0 | 0 | 111.9 | D334 F373 A374 V375 R409 | D334-N377 PolarHBondContact O-ND2 3.01Å; D334-N377 PolarHBondContact OD1-ND2 3.44Å; F373-N377 WeakPolarHBondContact O-CB 3.42Å; F373-N377 VanDerWaalsContact O-CG 3.28Å; F373-N377 PolarHBondContact O-N 3.47Å; A374-N377 PolarHBondContact O-N 3.31Å; V375-N377 VanDerWaalsContact C-N 3.32Å; N377-R409 PolarHBondContact O-NH2 3.41Å |
| 378 | G | 97.6 | Very high | 98 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 15.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A374 V375 S376 V380 | A374-G378 PolarHBondContact O-N 2.89Å; V375-G378 PolarHBondContact O-N 3.13Å; S376-G378 VanDerWaalsContact C-N 3.32Å; G378-V380 PolarHBondContact O-N 3.07Å |
| 379 | D | 98 | Very high | 98.1 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | trans | -85.9 | 98.2 | -176.2 | -170.3 | -19.6 | 0 | 0 | 0 | 110 | G336 A374 T381 C382 A383 | G336-D379 VanDerWaalsContact CA-OD2 3.24Å; G336-D379 WeakPolarHBondContact CA-OD2 3.41Å; A374-D379 PolarHBondContact O-N 2.85Å; D379-T381 VanDerWaalsContact C-N 3.31Å; D379-T381 PolarHBondContact OD1-N 3.43Å; D379-C382 HydrophobicContact CB-CB 4.21Å; D379-C382 PolarHBondContact OD1-N 3.17Å; D379-C382 WeakPolarHBondContact OD2-CB 3.31Å; D379-C382 PolarHBondContact OD2-SG 3Å; D379-A383 VanDerWaalsContact O-CB 3.27Å; D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.14Å; D379-A383 VanDerWaalsContact O-N 3.14Å | ||
| 380 | V | 98.3 | Very high | 98 | Very high | 54 Ų | 54 | 29.1 Ų | 29.1 | 33% | 0.327 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 177.2 | -178 | 0 | 0 | 0 | 0 | 110.9 | G378 A383 E384 E411 L412 L415 | G378-V380 PolarHBondContact O-N 3.07Å; V380-A383 PolarHBondContact O-N 2.85Å; V380-E384 WeakPolarHBondContact O-CB 3.15Å; V380-E384 PolarHBondContact O-N 3.41Å; V380-E411 HydrophobicContact CG2-CB 4.2Å; V380-L412 HydrophobicContact CB-CD2 4.26Å; V380-L412 HydrophobicContact CG2-CD2 3.9Å; V380-L412 HydrophobicContact CG2-CG 3.92Å; V380-L415 HydrophobicContact CG1-CD2 4.02Å |
| 381 | T | 98.5 | Very high | 98 | Very high | 77 Ų | 77 | 29.6 Ų | 29.6 | 47% | 0.472 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.3 | -47.9 | -174.2 | -40.2 | 0 | 0 | 0 | 0 | 111.1 | T338 D379 A383 E384 I385 | T338-T381 HydrophobicContact CG2-CG2 3.73Å; D379-T381 VanDerWaalsContact C-N 3.31Å; D379-T381 PolarHBondContact OD1-N 3.43Å; T381-A383 VanDerWaalsContact C-N 3.33Å; T381-A383 PolarHBondContact O-N 2.89Å; T381-E384 PolarHBondContact O-N 2.97Å; T381-I385 HydrophobicContact CG2-CD1 4.4Å; T381-I385 WeakPolarHBondContact O-CG1 3.4Å; T381-I385 PolarHBondContact O-N 3Å |
| 382 | C | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.6 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | L341 A374 D379 L386 | L341-C382 HydrophobicContact CD1-CB 3.71Å; L341-C382 VanDerWaalsContact CD1-SG 3.54Å; A374-C382 HydrophobicContact CB-CB 3.88Å; D379-C382 HydrophobicContact CB-CB 4.21Å; D379-C382 PolarHBondContact OD1-N 3.17Å; D379-C382 WeakPolarHBondContact OD2-CB 3.31Å; D379-C382 PolarHBondContact OD2-SG 3Å; C382-L386 WeakPolarHBondContact O-CB 3.43Å; C382-L386 WeakPolarHBondContact O-CD1 3.49Å; C382-L386 VanDerWaalsContact O-CG 3.24Å; C382-L386 WeakPolarHBondContact O-CG 3.42Å; C382-L386 PolarHBondContact O-N 3.44Å |
| 383 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L371 A374 V375 D379 V380 T381 L386 L387 L412 L415 | L371-A383 HydrophobicContact CD1-CB 4.12Å; A374-A383 HydrophobicContact CB-CB 4.18Å; V375-A383 HydrophobicContact CG2-CB 4.3Å; D379-A383 VanDerWaalsContact O-CB 3.27Å; D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.14Å; D379-A383 VanDerWaalsContact O-N 3.14Å; V380-A383 PolarHBondContact O-N 2.85Å; T381-A383 VanDerWaalsContact C-N 3.33Å; T381-A383 PolarHBondContact O-N 2.89Å; A383-L386 PolarHBondContact O-N 3.32Å; A383-L387 WeakPolarHBondContact O-CB 3.3Å; A383-L387 WeakPolarHBondContact O-CD1 3.37Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.41Å; A383-L412 HydrophobicContact CB-CD2 3.81Å; A383-L415 HydrophobicContact CB-CD2 4.1Å |
| 384 | E | 98.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -51 | 177.4 | -176.3 | 169.3 | -130.7 | 0 | 0 | 111.6 | V380 T381 L386 L387 E388 L415 | V380-E384 WeakPolarHBondContact O-CB 3.15Å; V380-E384 PolarHBondContact O-N 3.41Å; T381-E384 PolarHBondContact O-N 2.97Å; E384-L386 VanDerWaalsContact C-N 3.27Å; E384-L386 PolarHBondContact O-N 2.89Å; E384-L387 PolarHBondContact O-N 2.98Å; E384-L387 VanDerWaalsContact O-N 3.08Å; E384-E388 HydrophobicContact CG-CG 4.4Å; E384-E388 WeakPolarHBondContact O-CB 3.36Å; E384-E388 WeakPolarHBondContact O-CG 3.45Å; E384-E388 PolarHBondContact O-N 2.85Å; E384-L415 HydrophobicContact CB-CD1 4.3Å; E384-L415 HydrophobicContact CB-CD2 3.95Å; E384-L415 HydrophobicContact CG-CD1 4.28Å |
| 385 | I | 98.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.7 | -42.9 | 177 | -69.2 | 168.6 | 0 | 0 | 0 | 111.4 | T338 L341 Q342 I345 T381 A389 | T338-I385 HydrophobicContact CG2-CD1 3.77Å; L341-I385 HydrophobicContact CB-CG2 4.3Å; Q342-I385 HydrophobicContact CG-CD1 4.44Å; Q342-I385 HydrophobicContact CG-CG2 4.33Å; I345-I385 HydrophobicContact CD1-CG2 3.75Å; T381-I385 HydrophobicContact CG2-CD1 4.4Å; T381-I385 WeakPolarHBondContact O-CG1 3.4Å; T381-I385 PolarHBondContact O-N 3Å; I385-A389 VanDerWaalsContact O-CB 3.3Å; I385-A389 WeakPolarHBondContact O-CB 3.34Å; I385-A389 PolarHBondContact O-N 3.44Å |
| 386 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 178.4 | -73.8 | 169 | 0 | 0 | 0 | 111.7 | V329 A333 L341 I351 P370 L371 A374 C382 A383 E384 A389 G390 A391 | V329-L386 HydrophobicContact CG1-CD2 4.01Å; A333-L386 HydrophobicContact CB-CD1 4.08Å; L341-L386 HydrophobicContact CD1-CG 4.36Å; L341-L386 HydrophobicContact CD2-CD2 4.08Å; I351-L386 HydrophobicContact CB-CD2 4.29Å; I351-L386 HydrophobicContact CG2-CD2 4.11Å; P370-L386 HydrophobicContact CB-CD1 4.15Å; P370-L386 HydrophobicContact CB-CD2 4.23Å; L371-L386 HydrophobicContact CB-CD1 4.47Å; L371-L386 HydrophobicContact CD1-CB 4.29Å; A374-L386 HydrophobicContact CB-CD1 4.21Å; C382-L386 WeakPolarHBondContact O-CB 3.43Å; C382-L386 WeakPolarHBondContact O-CD1 3.49Å; C382-L386 VanDerWaalsContact O-CG 3.24Å; C382-L386 WeakPolarHBondContact O-CG 3.42Å; C382-L386 PolarHBondContact O-N 3.44Å; A383-L386 PolarHBondContact O-N 3.32Å; E384-L386 VanDerWaalsContact C-N 3.27Å; E384-L386 PolarHBondContact O-N 2.89Å; L386-A389 CarbonylContact O-C 3.49Å; L386-A389 PolarHBondContact O-N 3.12Å; L386-G390 PolarHBondContact O-N 3.47Å; L386-A391 VanDerWaalsContact C-CB 3.49Å; L386-A391 HydrophobicContact CB-CB 3.93Å; L386-A391 WeakPolarHBondContact O-CB 3.27Å; L386-A391 PolarHBondContact O-N 3.13Å |
| 387 | L | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 178.7 | -71.9 | 167.2 | 0 | 0 | 0 | 112 | L371 A383 E384 A389 G390 T393 L415 L416 Y419 | L371-L387 HydrophobicContact CD1-CD1 4.46Å; L371-L387 HydrophobicContact CD1-CD2 4.18Å; L371-L387 HydrophobicContact CD1-CG 3.97Å; L371-L387 HydrophobicContact CD2-CD2 3.78Å; L371-L387 HydrophobicContact CD2-CG 4.49Å; A383-L387 WeakPolarHBondContact O-CB 3.3Å; A383-L387 WeakPolarHBondContact O-CD1 3.37Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.41Å; E384-L387 PolarHBondContact O-N 2.98Å; E384-L387 VanDerWaalsContact O-N 3.08Å; L387-A389 PolarHBondContact O-N 2.9Å; L387-G390 WeakPolarHBondContact O-CA 3.36Å; L387-G390 PolarHBondContact O-N 3.42Å; L387-T393 HydrophobicContact CD2-CG2 3.82Å; L387-L415 HydrophobicContact CD1-CD1 4.31Å; L387-L415 HydrophobicContact CD1-CD2 4.02Å; L387-L415 HydrophobicContact CD1-CG 3.74Å; L387-L416 HydrophobicContact CD1-CD2 4.18Å; L387-L416 HydrophobicContact CD2-CD2 4.42Å; L387-Y419 HydrophobicContact CB-CD1 3.68Å; L387-Y419 HydrophobicContact CB-CD2 3.94Å; L387-Y419 HydrophobicContact CB-CE1 3.85Å; L387-Y419 HydrophobicContact CB-CE2 4.1Å; L387-Y419 HydrophobicContact CB-CG 3.72Å; L387-Y419 HydrophobicContact CD1-CD2 3.87Å; L387-Y419 HydrophobicContact CD1-CE2 4.47Å; L387-Y419 HydrophobicContact CD1-CG 4.09Å; L387-Y419 HydrophobicContact CD2-CG 4.17Å; L387-Y419 HydrophobicContact CG-CD2 4.4Å; L387-Y419 HydrophobicContact CG-CG 4.21Å |
| 388 | E | 97.9 | Very high | 96.5 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -57.8 | -38.1 | 171.6 | -74.8 | -177.4 | 164.1 | 0 | 0 | 111.7 | E384 G390 Y419 | E384-E388 HydrophobicContact CG-CG 4.4Å; E384-E388 WeakPolarHBondContact O-CB 3.36Å; E384-E388 WeakPolarHBondContact O-CG 3.45Å; E384-E388 PolarHBondContact O-N 2.85Å; E388-G390 PolarHBondContact O-N 2.82Å; E388-Y419 WeakPolarHBondContact CG-OH 3.2Å |
| 389 | A | 98.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 42 Ų | 42 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 0.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I345 I351 I385 L386 L387 | I345-A389 HydrophobicContact CD1-CB 3.78Å; I345-A389 HydrophobicContact CG1-CB 4.24Å; I345-A389 HydrophobicContact CG2-CB 4.19Å; I351-A389 HydrophobicContact CG1-CB 4.29Å; I351-A389 HydrophobicContact CG2-CB 4.16Å; I385-A389 VanDerWaalsContact O-CB 3.3Å; I385-A389 WeakPolarHBondContact O-CB 3.34Å; I385-A389 PolarHBondContact O-N 3.44Å; L386-A389 CarbonylContact O-C 3.49Å; L386-A389 PolarHBondContact O-N 3.12Å; L387-A389 PolarHBondContact O-N 2.9Å |
| 390 | G | 97.7 | Very high | 96 | Very high | 43 Ų | 43 | 40.4 Ų | 40.4 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 23.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N352 L386 L387 E388 R392 | N352-G390 PolarHBondContact ND2-O 3.46Å; N352-G390 VanDerWaalsContact ND2-O 3.17Å; L386-G390 PolarHBondContact O-N 3.47Å; L387-G390 WeakPolarHBondContact O-CA 3.36Å; L387-G390 PolarHBondContact O-N 3.42Å; E388-G390 PolarHBondContact O-N 2.82Å; G390-R392 PolarHBondContact O-N 3.37Å |
| 391 | A | 98.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | trans | -61.2 | 134.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I351 N352 L371 L386 | I351-A391 HydrophobicContact CD1-CB 4.33Å; N352-A391 WeakPolarHBondContact OD1-CA 3.28Å; L371-A391 HydrophobicContact CB-CB 4.14Å; L371-A391 HydrophobicContact CD2-CB 4.09Å; L386-A391 VanDerWaalsContact C-CB 3.49Å; L386-A391 HydrophobicContact CB-CB 3.93Å; L386-A391 WeakPolarHBondContact O-CB 3.27Å; L386-A391 PolarHBondContact O-N 3.13Å | ||
| 392 | R | 96.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 34.3 Ų | 34.3 | 47% | 0.472 | 18% | 0.182 | S | C | . | . | trans | -89.5 | 133.7 | -179.8 | -72.7 | -179 | 59.6 | 170.7 | 1.6 | 111 | N352 G390 D394 L395 | N352-R392 WeakPolarHBondContact OD1-CB 3.31Å; N352-R392 PolarHBondContact OD1-N 2.86Å; G390-R392 PolarHBondContact O-N 3.37Å; R392-D394 VanDerWaalsContact C-N 3.3Å; R392-D394 IonicContact CZ-OD1 3.36Å; R392-D394 IonicContact CZ-OD2 3.88Å; R392-D394 IonicContact NE-OD1 2.89Å; R392-D394 PolarHBondContact NE-OD1 3.43Å; R392-D394 VanDerWaalsContact NH2-CG 3.31Å; R392-D394 IonicContact NH2-OD1 2.84Å; R392-D394 PolarHBondContact NH2-OD1 3.26Å; R392-D394 IonicContact NH2-OD2 3.45Å; R392-D394 PolarHBondContact NH2-OD2 2.97Å; R392-D394 PolarHBondContact O-N 3.31Å; R392-L395 HydrophobicContact CB-CD1 3.8Å; R392-L395 HydrophobicContact CB-CG 3.75Å; R392-L395 HydrophobicContact CG-CD1 4.5Å | ||
| 393 | T | 95.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.7 | -178.3 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | L371 L387 L416 A421 | L371-T393 HydrophobicContact CD2-CG2 4.07Å; L387-T393 HydrophobicContact CD2-CG2 3.82Å; T393-L416 HydrophobicContact CG2-CD2 3.92Å; T393-A421 HydrophobicContact CG2-CB 4.09Å; T393-A421 WeakPolarHBondContact OG1-CA 3.14Å |
| 394 | D | 92.8 | Very high | 95.5 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 33% | 0.326 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 8.1 | -167.2 | 73.2 | -33.6 | 0 | 0 | 0 | 115 | R392 | R392-D394 VanDerWaalsContact C-N 3.3Å; R392-D394 IonicContact CZ-OD1 3.36Å; R392-D394 IonicContact CZ-OD2 3.88Å; R392-D394 IonicContact NE-OD1 2.89Å; R392-D394 PolarHBondContact NE-OD1 3.43Å; R392-D394 VanDerWaalsContact NH2-CG 3.31Å; R392-D394 IonicContact NH2-OD1 2.84Å; R392-D394 PolarHBondContact NH2-OD1 3.26Å; R392-D394 IonicContact NH2-OD2 3.45Å; R392-D394 PolarHBondContact NH2-OD2 2.97Å; R392-D394 PolarHBondContact O-N 3.31Å |
| 395 | L | 94.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 19% | 0.194 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -86.4 | -23.9 | -174.7 | -67.9 | -179.8 | 0 | 0 | 0 | 114.1 | N352 Q354 T369 R392 | N352-L395 HydrophobicContact CB-CD1 3.77Å; N352-L395 WeakPolarHBondContact OD1-CD1 3.49Å; Q354-L395 PolarHBondContact NE2-O 3.37Å; Q354-L395 VanDerWaalsContact NE2-O 3.15Å; T369-L395 HydrophobicContact CG2-CB 3.56Å; T369-L395 HydrophobicContact CG2-CD1 4.02Å; T369-L395 HydrophobicContact CG2-CG 4.43Å; R392-L395 HydrophobicContact CB-CD1 3.8Å; R392-L395 HydrophobicContact CB-CG 3.75Å; R392-L395 HydrophobicContact CG-CD1 4.5Å |
| 396 | D | 93.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -84.2 | 143.5 | 179.5 | -63.5 | -87.2 | 0 | 0 | 0 | 111.9 | K368 T369 Y372 L398 | K368-D396 WeakPolarHBondContact CA-OD1 3.34Å; K368-D396 PolarHBondContact N-OD1 3.01Å; T369-D396 WeakPolarHBondContact CB-OD2 3.46Å; T369-D396 VanDerWaalsContact CG2-OD2 3.28Å; T369-D396 WeakPolarHBondContact CG2-OD2 3.33Å; T369-D396 PolarHBondContact N-OD1 3.31Å; T369-D396 PolarHBondContact OG1-OD2 3.41Å; Y372-D396 HydrophobicContact CD2-CB 3.68Å; Y372-D396 HydrophobicContact CE2-CB 4.29Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 VanDerWaalsContact CB-O 3.31Å; D396-L398 WeakPolarHBondContact CB-O 3.42Å; D396-L398 PolarHBondContact O-N 3.07Å |
| 397 | P | 87.9 | Confident | 95.1 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -56.6 | -45.3 | 177.9 | -24.1 | 33.3 | 0 | 0 | 0 | 112.8 | ||
| 398 | L | 90.5 | Very high | 95 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -90.9 | 112.7 | 164.7 | 178.7 | 60 | 0 | 0 | 0 | 107.4 | Y372 D396 C400 L402 V403 F427 | Y372-L398 HydrophobicContact CE2-CB 4.37Å; Y372-L398 VanDerWaalsContact CE2-O 3.26Å; Y372-L398 WeakPolarHBondContact CE2-O 3.34Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 VanDerWaalsContact CB-O 3.31Å; D396-L398 WeakPolarHBondContact CB-O 3.42Å; D396-L398 PolarHBondContact O-N 3.07Å; L398-C400 PolarHBondContact O-N 2.93Å; L398-L402 HydrophobicContact CD1-CB 3.98Å; L398-L402 HydrophobicContact CD1-CD1 3.95Å; L398-V403 HydrophobicContact CD2-CG2 3.83Å; L398-V403 HydrophobicContact CG-CG2 3.96Å; L398-F427 HydrophobicContact CB-CD2 4.24Å; L398-F427 HydrophobicContact CB-CE2 3.95Å; L398-F427 HydrophobicContact CB-CZ 4.29Å; L398-F427 HydrophobicContact CD1-CB 4.15Å; L398-F427 HydrophobicContact CD1-CD1 3.91Å; L398-F427 HydrophobicContact CD1-CD2 3.9Å; L398-F427 HydrophobicContact CD1-CE1 4.23Å; L398-F427 HydrophobicContact CD1-CE2 4.25Å; L398-F427 HydrophobicContact CD1-CG 3.72Å; L398-F427 HydrophobicContact CD1-CZ 4.4Å |
| 399 | R | 92.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -62 | 135.1 | -178.3 | -61.8 | -159.8 | -176.2 | -144.5 | -7.7 | 110.7 | I401 L402 C425 | R399-I401 HydrophobicContact CB-CG2 4.16Å; R399-I401 PolarHBondContact O-N 3.33Å; R399-I401 VanDerWaalsContact O-N 3.1Å; R399-L402 WeakPolarHBondContact O-CB 2.95Å; R399-L402 PolarHBondContact O-N 3.49Å; R399-C425 VanDerWaalsContact CD-CB 3.43Å; R399-C425 HydrophobicContact CG-CB 4.28Å | ||
| 400 | C | 93.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.8 | -34.1 | -176.7 | 59.6 | 0 | 0 | 0 | 0 | 113 | Y372 V375 L398 L402 V403 A404 | Y372-C400 HydrophobicContact CD2-CB 4.38Å; V375-C400 HydrophobicContact CB-CB 4.25Å; V375-C400 HydrophobicContact CG1-CB 4.11Å; V375-C400 WeakPolarHBondContact CG1-O 3.44Å; V375-C400 HydrophobicContact CG2-CB 4.22Å; L398-C400 PolarHBondContact O-N 2.93Å; C400-L402 VanDerWaalsContact C-N 3.3Å; C400-L402 PolarHBondContact O-N 3.19Å; C400-V403 WeakPolarHBondContact O-CA 3.45Å; C400-V403 VanDerWaalsContact O-CB 3.29Å; C400-V403 WeakPolarHBondContact O-CB 3.29Å; C400-V403 PolarHBondContact O-N 3.12Å; C400-A404 PolarHBondContact O-N 3Å |
| 401 | I | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -38 | 175.5 | -168.6 | 172.6 | 0 | 0 | 0 | 112.8 | R399 V403 A404 I405 L416 L417 A421 | R399-I401 HydrophobicContact CB-CG2 4.16Å; R399-I401 PolarHBondContact O-N 3.33Å; R399-I401 VanDerWaalsContact O-N 3.1Å; I401-V403 VanDerWaalsContact C-N 3.25Å; I401-V403 PolarHBondContact O-N 2.86Å; I401-A404 PolarHBondContact O-N 2.75Å; I401-I405 HydrophobicContact CD1-CD1 4.49Å; I401-I405 HydrophobicContact CG1-CD1 3.9Å; I401-I405 HydrophobicContact CG1-CG1 4.34Å; I401-I405 WeakPolarHBondContact O-CD1 3.39Å; I401-I405 WeakPolarHBondContact O-CG1 3.33Å; I401-I405 PolarHBondContact O-N 2.73Å; I401-L416 HydrophobicContact CB-CD1 4.19Å; I401-L417 HydrophobicContact CD1-CD2 3.54Å; I401-L417 HydrophobicContact CD1-CG 3.81Å; I401-A421 HydrophobicContact CB-CB 4.18Å; I401-A421 HydrophobicContact CD1-CB 3.87Å |
| 402 | L | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -30.7 | 177 | -66 | 176.7 | 0 | 0 | 0 | 111.6 | L398 R399 C400 I405 R406 F427 T437 A438 Y441 | L398-L402 HydrophobicContact CD1-CB 3.98Å; L398-L402 HydrophobicContact CD1-CD1 3.95Å; R399-L402 WeakPolarHBondContact O-CB 2.95Å; R399-L402 PolarHBondContact O-N 3.49Å; C400-L402 VanDerWaalsContact C-N 3.3Å; C400-L402 PolarHBondContact O-N 3.19Å; L402-I405 HydrophobicContact CD2-CD1 4.47Å; L402-R406 VanDerWaalsContact O-CB 3.27Å; L402-R406 WeakPolarHBondContact O-CB 3.41Å; L402-R406 PolarHBondContact O-N 3.21Å; L402-F427 HydrophobicContact CD1-CB 3.98Å; L402-T437 HydrophobicContact CD1-CG2 4.11Å; L402-T437 HydrophobicContact CD2-CG2 4.25Å; L402-A438 HydrophobicContact CD2-CB 4.04Å; L402-Y441 HydrophobicContact CB-CE2 4.23Å; L402-Y441 HydrophobicContact CD2-CE2 4.35Å |
| 403 | V | 94.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.2 | -46.6 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | Y372 V375 L398 C400 I401 R406 A407 | Y372-V403 HydrophobicContact CD2-CG2 4.49Å; Y372-V403 HydrophobicContact CE2-CG2 3.55Å; Y372-V403 WeakPolarHBondContact OH-CG2 3.31Å; V375-V403 HydrophobicContact CG1-CB 4.41Å; L398-V403 HydrophobicContact CD2-CG2 3.83Å; L398-V403 HydrophobicContact CG-CG2 3.96Å; C400-V403 WeakPolarHBondContact O-CA 3.45Å; C400-V403 VanDerWaalsContact O-CB 3.29Å; C400-V403 WeakPolarHBondContact O-CB 3.29Å; C400-V403 PolarHBondContact O-N 3.12Å; I401-V403 VanDerWaalsContact C-N 3.25Å; I401-V403 PolarHBondContact O-N 2.86Å; V403-R406 PolarHBondContact O-N 3.43Å; V403-A407 WeakPolarHBondContact O-CB 3.43Å; V403-A407 PolarHBondContact O-N 3.09Å |
| 404 | A | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V375 C400 I401 A407 E408 R409 L412 V413 L416 | V375-A404 HydrophobicContact CG1-CB 4.01Å; C400-A404 PolarHBondContact O-N 3Å; I401-A404 PolarHBondContact O-N 2.75Å; A404-A407 CarbonylContact O-C 3.6Å; A404-A407 PolarHBondContact O-N 3.2Å; A404-E408 PolarHBondContact O-N 3.15Å; A404-R409 PolarHBondContact O-N 3Å; A404-L412 HydrophobicContact CB-CB 3.97Å; A404-V413 HydrophobicContact CB-CG2 3.7Å; A404-L416 HydrophobicContact CB-CD1 4.08Å |
| 405 | I | 96.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -49.4 | 177 | -65.6 | 162.9 | 0 | 0 | 0 | 110.7 | I401 L402 A407 E408 V413 A438 M448 L452 | I401-I405 HydrophobicContact CD1-CD1 4.49Å; I401-I405 HydrophobicContact CG1-CD1 3.9Å; I401-I405 HydrophobicContact CG1-CG1 4.34Å; I401-I405 WeakPolarHBondContact O-CD1 3.39Å; I401-I405 WeakPolarHBondContact O-CG1 3.33Å; I401-I405 PolarHBondContact O-N 2.73Å; L402-I405 HydrophobicContact CD2-CD1 4.47Å; I405-A407 PolarHBondContact O-N 3.4Å; I405-E408 PolarHBondContact O-N 2.95Å; I405-V413 HydrophobicContact CG1-CG1 4.33Å; I405-V413 HydrophobicContact CG1-CG2 3.7Å; I405-A438 HydrophobicContact CD1-CB 3.79Å; I405-M448 HydrophobicContact CG1-SD 4.39Å; I405-M448 HydrophobicContact CG2-CG 4.13Å; I405-L452 HydrophobicContact CD1-CD1 4.02Å; I405-L452 HydrophobicContact CD1-CD2 3.55Å; I405-L452 HydrophobicContact CD1-CG 4.44Å; I405-L452 HydrophobicContact CG1-CD1 4.4Å; I405-L452 HydrophobicContact CG1-CD2 4.02Å; I405-L452 HydrophobicContact CG2-CD1 4.2Å |
| 406 | R | 94.3 | Very high | 95 | Very high | 131 Ų | 131 | 38.4 Ų | 38.4 | 49% | 0.494 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.2 | -28.8 | 179.7 | -177.1 | 178.4 | 62.5 | 76.3 | -1.9 | 112.6 | L402 V403 E408 Y441 | L402-R406 VanDerWaalsContact O-CB 3.27Å; L402-R406 WeakPolarHBondContact O-CB 3.41Å; L402-R406 PolarHBondContact O-N 3.21Å; V403-R406 PolarHBondContact O-N 3.43Å; R406-E408 VanDerWaalsContact C-N 3.34Å; R406-Y441 HydrophobicContact CB-CD1 3.81Å; R406-Y441 HydrophobicContact CB-CD2 4.17Å; R406-Y441 HydrophobicContact CB-CE1 4.06Å; R406-Y441 HydrophobicContact CB-CE2 4.38Å; R406-Y441 HydrophobicContact CB-CG 3.9Å; R406-Y441 HydrophobicContact CG-CD1 3.68Å; R406-Y441 HydrophobicContact CG-CE1 3.77Å; R406-Y441 HydrophobicContact CG-CG 4.28Å |
| 407 | A | 95.4 | Very high | 95 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 35% | 0.347 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V403 A404 I405 R409 | V403-A407 WeakPolarHBondContact O-CB 3.43Å; V403-A407 PolarHBondContact O-N 3.09Å; A404-A407 CarbonylContact O-C 3.6Å; A404-A407 PolarHBondContact O-N 3.2Å; I405-A407 PolarHBondContact O-N 3.4Å; A407-R409 HydrophobicContact CB-CG 3.98Å; A407-R409 PolarHBondContact O-N 3.07Å |
| 408 | E | 95.9 | Very high | 95.3 | Very high | 125 Ų | 125 | 36.9 Ų | 36.9 | 58% | 0.584 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 33.2 | -180 | -60.8 | 171.9 | -155 | 0 | 0 | 113.1 | A404 I405 R406 Y410 | A404-E408 PolarHBondContact O-N 3.15Å; I405-E408 PolarHBondContact O-N 2.95Å; R406-E408 VanDerWaalsContact C-N 3.34Å; E408-Y410 VanDerWaalsContact O-CD2 3.26Å; E408-Y410 WeakPolarHBondContact O-CD2 3.35Å; E408-Y410 PolarHBondContact O-N 3.29Å |
| 409 | R | 96.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 40.3 Ų | 40.3 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | trans | -93.2 | 80.8 | -177.5 | -65.4 | -176.5 | 179.4 | 153.4 | -8 | 111.5 | V375 S376 N377 A404 A407 E411 L412 V413 | V375-R409 PolarHBondContact O-NH1 2.85Å; S376-R409 VanDerWaalsContact C-NH1 3.31Å; S376-R409 PolarHBondContact O-NH1 2.96Å; S376-R409 PolarHBondContact O-NH2 3.19Å; N377-R409 PolarHBondContact O-NH2 3.41Å; A404-R409 PolarHBondContact O-N 3Å; A407-R409 HydrophobicContact CB-CG 3.98Å; A407-R409 PolarHBondContact O-N 3.07Å; R409-E411 PolarHBondContact O-N 2.98Å; R409-L412 HydrophobicContact CB-CB 4.13Å; R409-L412 HydrophobicContact CB-CD1 4.19Å; R409-L412 HydrophobicContact CB-CG 4.47Å; R409-L412 PolarHBondContact O-N 3.31Å; R409-V413 WeakPolarHBondContact O-CG2 3.21Å; R409-V413 PolarHBondContact O-N 2.89Å | ||
| 410 | Y | 95.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.6 | -48.5 | -177.4 | -72.7 | -98.5 | 0 | 0 | 0 | 114.3 | E408 L412 V413 K414 D445 D447 M448 L451 | E408-Y410 VanDerWaalsContact O-CD2 3.26Å; E408-Y410 WeakPolarHBondContact O-CD2 3.35Å; E408-Y410 PolarHBondContact O-N 3.29Å; Y410-L412 VanDerWaalsContact C-N 3.35Å; Y410-L412 PolarHBondContact O-N 2.71Å; Y410-V413 PolarHBondContact O-N 3.29Å; Y410-V413 VanDerWaalsContact O-N 3.13Å; Y410-K414 WeakPolarHBondContact O-CG 3.31Å; Y410-K414 PolarHBondContact O-N 3.32Å; Y410-D445 PolarHBondContact OH-OD1 3.45Å; Y410-D445 PolarHBondContact OH-OD2 3.44Å; Y410-D447 HydrophobicContact CE1-CB 4.26Å; Y410-M448 HydrophobicContact CD1-CE 3.88Å; Y410-M448 HydrophobicContact CD2-CE 3.84Å; Y410-M448 HydrophobicContact CE1-CB 4.11Å; Y410-M448 HydrophobicContact CE1-CE 3.94Å; Y410-M448 HydrophobicContact CE2-CE 3.84Å; Y410-M448 HydrophobicContact CG-CE 3.85Å; Y410-M448 PolarHBondContact OH-N 2.88Å; Y410-L451 HydrophobicContact CD1-CD2 4.12Å |
| 411 | E | 96.5 | Very high | 95.4 | Very high | 120 Ų | 120 | 38.3 Ų | 38.3 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -62 | -42.4 | -178.3 | -60.5 | -50.9 | 137.8 | 0 | 0 | 111.9 | V380 R409 V413 K414 L415 | V380-E411 HydrophobicContact CG2-CB 4.2Å; R409-E411 PolarHBondContact O-N 2.98Å; E411-V413 PolarHBondContact O-N 3.25Å; E411-K414 PolarHBondContact O-N 3.41Å; E411-L415 VanDerWaalsContact O-CB 3.26Å; E411-L415 WeakPolarHBondContact O-CB 3.23Å; E411-L415 PolarHBondContact O-N 3.02Å |
| 412 | L | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 174.2 | -78.6 | -180 | 0 | 0 | 0 | 112.4 | V375 V380 A383 A404 R409 Y410 L415 L416 | V375-L412 HydrophobicContact CG1-CD1 4.33Å; V380-L412 HydrophobicContact CB-CD2 4.26Å; V380-L412 HydrophobicContact CG2-CD2 3.9Å; V380-L412 HydrophobicContact CG2-CG 3.92Å; A383-L412 HydrophobicContact CB-CD2 3.81Å; A404-L412 HydrophobicContact CB-CB 3.97Å; R409-L412 HydrophobicContact CB-CB 4.13Å; R409-L412 HydrophobicContact CB-CD1 4.19Å; R409-L412 HydrophobicContact CB-CG 4.47Å; R409-L412 PolarHBondContact O-N 3.31Å; Y410-L412 VanDerWaalsContact C-N 3.35Å; Y410-L412 PolarHBondContact O-N 2.71Å; L412-L415 HydrophobicContact CD2-CD2 4.4Å; L412-L416 VanDerWaalsContact O-CB 3.3Å; L412-L416 WeakPolarHBondContact O-CB 3.39Å; L412-L416 WeakPolarHBondContact O-CD1 3.11Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 3.32Å |
| 413 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | A404 I405 R409 Y410 E411 L415 L416 L417 M448 L451 L452 | A404-V413 HydrophobicContact CB-CG2 3.7Å; I405-V413 HydrophobicContact CG1-CG1 4.33Å; I405-V413 HydrophobicContact CG1-CG2 3.7Å; R409-V413 WeakPolarHBondContact O-CG2 3.21Å; R409-V413 PolarHBondContact O-N 2.89Å; Y410-V413 PolarHBondContact O-N 3.29Å; Y410-V413 VanDerWaalsContact O-N 3.13Å; E411-V413 PolarHBondContact O-N 3.25Å; V413-L415 PolarHBondContact O-N 3.02Å; V413-L416 PolarHBondContact O-N 3.48Å; V413-L417 HydrophobicContact CG1-CD1 3.63Å; V413-L417 HydrophobicContact CG1-CG 4.38Å; V413-L417 WeakPolarHBondContact O-CB 3.27Å; V413-L417 WeakPolarHBondContact O-CD1 3.4Å; V413-L417 WeakPolarHBondContact O-CG 3.23Å; V413-L417 PolarHBondContact O-N 2.94Å; V413-M448 HydrophobicContact CB-SD 4.33Å; V413-M448 HydrophobicContact CG1-SD 4.11Å; V413-M448 HydrophobicContact CG2-CE 4.14Å; V413-M448 HydrophobicContact CG2-SD 4.02Å; V413-L451 HydrophobicContact CB-CD2 4.31Å; V413-L451 HydrophobicContact CG1-CD2 3.83Å; V413-L452 HydrophobicContact CG1-CD2 4.09Å |
| 414 | K | 95.1 | Very high | 95 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 27% | 0.265 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 175.9 | -73.5 | 179.1 | 171.3 | -170.3 | 0 | 111.2 | Y410 E411 L417 S418 L451 L599 | Y410-K414 WeakPolarHBondContact O-CG 3.31Å; Y410-K414 PolarHBondContact O-N 3.32Å; E411-K414 PolarHBondContact O-N 3.41Å; K414-L417 PolarHBondContact O-N 3.17Å; K414-S418 PolarHBondContact O-N 2.8Å; K414-L451 HydrophobicContact CG-CD1 4.08Å; K414-L451 HydrophobicContact CG-CD2 4.09Å; K414-L599 PolarHBondContact NZ-OXT 3.31Å |
| 415 | L | 96.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 177.5 | 180 | 66.1 | 0 | 0 | 0 | 112.2 | V380 A383 E384 L387 E411 L412 V413 L417 S418 Y419 | V380-L415 HydrophobicContact CG1-CD2 4.02Å; A383-L415 HydrophobicContact CB-CD2 4.1Å; E384-L415 HydrophobicContact CB-CD1 4.3Å; E384-L415 HydrophobicContact CB-CD2 3.95Å; E384-L415 HydrophobicContact CG-CD1 4.28Å; L387-L415 HydrophobicContact CD1-CD1 4.31Å; L387-L415 HydrophobicContact CD1-CD2 4.02Å; L387-L415 HydrophobicContact CD1-CG 3.74Å; E411-L415 VanDerWaalsContact O-CB 3.26Å; E411-L415 WeakPolarHBondContact O-CB 3.23Å; E411-L415 PolarHBondContact O-N 3.02Å; L412-L415 HydrophobicContact CD2-CD2 4.4Å; V413-L415 PolarHBondContact O-N 3.02Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.28Å; L415-S418 PolarHBondContact O-N 2.75Å; L415-S418 PolarHBondContact O-OG 3.19Å; L415-Y419 HydrophobicContact CD1-CD2 3.94Å; L415-Y419 HydrophobicContact CD1-CE2 3.7Å; L415-Y419 WeakPolarHBondContact O-CD2 3.43Å; L415-Y419 PolarHBondContact O-N 2.87Å |
| 416 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 179.1 | -73 | 168.8 | 0 | 0 | 0 | 111.8 | L371 V375 L387 T393 I401 A404 L412 V413 Y419 G420 A421 | L371-L416 HydrophobicContact CD2-CD2 4.34Å; V375-L416 HydrophobicContact CG1-CD1 4.23Å; V375-L416 HydrophobicContact CG2-CD1 4.12Å; V375-L416 HydrophobicContact CG2-CD2 4.23Å; L387-L416 HydrophobicContact CD1-CD2 4.18Å; L387-L416 HydrophobicContact CD2-CD2 4.42Å; T393-L416 HydrophobicContact CG2-CD2 3.92Å; I401-L416 HydrophobicContact CB-CD1 4.19Å; A404-L416 HydrophobicContact CB-CD1 4.08Å; L412-L416 VanDerWaalsContact O-CB 3.3Å; L412-L416 WeakPolarHBondContact O-CB 3.39Å; L412-L416 WeakPolarHBondContact O-CD1 3.11Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 3.32Å; V413-L416 PolarHBondContact O-N 3.48Å; L416-Y419 CarbonylContact O-C 3.48Å; L416-Y419 PolarHBondContact O-N 2.72Å; L416-G420 PolarHBondContact O-N 3.36Å; L416-A421 HydrophobicContact CB-CB 3.88Å; L416-A421 WeakPolarHBondContact O-CB 3.32Å; L416-A421 PolarHBondContact O-N 2.86Å |
| 417 | L | 94.5 | Very high | 94 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.3 | -72 | 166.6 | 0 | 0 | 0 | 112.6 | I401 V413 K414 L415 Y419 G420 V423 N570 | I401-L417 HydrophobicContact CD1-CD2 3.54Å; I401-L417 HydrophobicContact CD1-CG 3.81Å; V413-L417 HydrophobicContact CG1-CD1 3.63Å; V413-L417 HydrophobicContact CG1-CG 4.38Å; V413-L417 WeakPolarHBondContact O-CB 3.27Å; V413-L417 WeakPolarHBondContact O-CD1 3.4Å; V413-L417 WeakPolarHBondContact O-CG 3.23Å; V413-L417 PolarHBondContact O-N 2.94Å; K414-L417 PolarHBondContact O-N 3.17Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.28Å; L417-Y419 VanDerWaalsContact C-N 3.26Å; L417-Y419 PolarHBondContact O-N 3.09Å; L417-G420 PolarHBondContact O-N 3.29Å; L417-V423 HydrophobicContact CD2-CB 4.1Å; L417-N570 HydrophobicContact CB-CB 4.08Å; L417-N570 WeakPolarHBondContact O-CB 3.46Å |
| 418 | S | 92.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -34.5 | 176 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | K414 L415 G420 | K414-S418 PolarHBondContact O-N 2.8Å; L415-S418 PolarHBondContact O-N 2.75Å; L415-S418 PolarHBondContact O-OG 3.19Å; S418-G420 PolarHBondContact O-N 3.47Å |
| 419 | Y | 93.8 | Very high | 92.6 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 9.1 | 172.1 | -75.7 | -92.2 | 0 | 0 | 0 | 114.5 | L387 E388 L415 L416 L417 | L387-Y419 HydrophobicContact CB-CD1 3.68Å; L387-Y419 HydrophobicContact CB-CD2 3.94Å; L387-Y419 HydrophobicContact CB-CE1 3.85Å; L387-Y419 HydrophobicContact CB-CE2 4.1Å; L387-Y419 HydrophobicContact CB-CG 3.72Å; L387-Y419 HydrophobicContact CD1-CD2 3.87Å; L387-Y419 HydrophobicContact CD1-CE2 4.47Å; L387-Y419 HydrophobicContact CD1-CG 4.09Å; L387-Y419 HydrophobicContact CD2-CG 4.17Å; L387-Y419 HydrophobicContact CG-CD2 4.4Å; L387-Y419 HydrophobicContact CG-CG 4.21Å; E388-Y419 WeakPolarHBondContact CG-OH 3.2Å; L415-Y419 HydrophobicContact CD1-CD2 3.94Å; L415-Y419 HydrophobicContact CD1-CE2 3.7Å; L415-Y419 WeakPolarHBondContact O-CD2 3.43Å; L415-Y419 PolarHBondContact O-N 2.87Å; L416-Y419 CarbonylContact O-C 3.48Å; L416-Y419 PolarHBondContact O-N 2.72Å; L417-Y419 VanDerWaalsContact C-N 3.26Å; L417-Y419 PolarHBondContact O-N 3.09Å |
| 420 | G | 91.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 48 Ų | 48 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 26.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L416 L417 S418 E422 | L416-G420 PolarHBondContact O-N 3.36Å; L417-G420 PolarHBondContact O-N 3.29Å; S418-G420 PolarHBondContact O-N 3.47Å; G420-E422 PolarHBondContact O-N 3.38Å |
| 421 | A | 94.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | trans | -59.3 | 134.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | T393 I401 L416 V423 | T393-A421 HydrophobicContact CG2-CB 4.09Å; T393-A421 WeakPolarHBondContact OG1-CA 3.14Å; I401-A421 HydrophobicContact CB-CB 4.18Å; I401-A421 HydrophobicContact CD1-CB 3.87Å; L416-A421 HydrophobicContact CB-CB 3.88Å; L416-A421 WeakPolarHBondContact O-CB 3.32Å; L416-A421 PolarHBondContact O-N 2.86Å; A421-V423 PolarHBondContact O-N 3.25Å | ||
| 422 | E | 92 | Very high | 89.9 | Confident | 85 Ų | 85 | 42.9 Ų | 42.9 | 40% | 0.397 | 21% | 0.213 | S | C | . | . | trans | -76.2 | 110.2 | -179.9 | -179.6 | 56.5 | -121.4 | 0 | 0 | 111.3 | G420 N424 C425 | G420-E422 PolarHBondContact O-N 3.38Å; E422-N424 VanDerWaalsContact C-N 3.33Å; E422-N424 WeakPolarHBondContact OE1-CA 3.46Å; E422-N424 WeakPolarHBondContact OE1-CB 3.18Å; E422-N424 PolarHBondContact OE1-N 3.37Å; E422-N424 PolarHBondContact OE1-ND2 3.33Å; E422-N424 VanDerWaalsContact OE1-ND2 3.16Å; E422-C425 PolarHBondContact O-SG 2.97Å | ||
| 423 | V | 92.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28 | 177.2 | 74.1 | 0 | 0 | 0 | 0 | 112.6 | L417 A421 C425 L452 Y457 | L417-V423 HydrophobicContact CD2-CB 4.1Å; A421-V423 PolarHBondContact O-N 3.25Å; V423-C425 PolarHBondContact O-N 3Å; V423-L452 HydrophobicContact CG2-CB 4.04Å; V423-L452 HydrophobicContact CG2-CD2 3.63Å; V423-L452 HydrophobicContact CG2-CG 4.39Å; V423-Y457 HydrophobicContact CG2-CD2 4.32Å |
| 424 | N | 92.2 | Very high | 89.1 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 38.1 | -178.5 | -56.3 | -72.8 | 0 | 0 | 0 | 113.2 | E422 P436 G456 Y457 Q458 | E422-N424 VanDerWaalsContact C-N 3.33Å; E422-N424 WeakPolarHBondContact OE1-CA 3.46Å; E422-N424 WeakPolarHBondContact OE1-CB 3.18Å; E422-N424 PolarHBondContact OE1-N 3.37Å; E422-N424 PolarHBondContact OE1-ND2 3.33Å; E422-N424 VanDerWaalsContact OE1-ND2 3.16Å; N424-P436 HydrophobicContact CB-CB 4.32Å; N424-P436 HydrophobicContact CB-CG 3.89Å; N424-G456 PolarHBondContact ND2-O 3.23Å; N424-Y457 WeakPolarHBondContact OD1-CA 3.37Å; N424-Q458 WeakPolarHBondContact OD1-CB 3.27Å; N424-Q458 VanDerWaalsContact OD1-CG 3.3Å; N424-Q458 WeakPolarHBondContact OD1-CG 3.46Å; N424-Q458 PolarHBondContact OD1-N 3.38Å |
| 425 | C | 91.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | trans | -84.5 | 157.1 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | R399 E422 V423 T437 | R399-C425 VanDerWaalsContact CD-CB 3.43Å; R399-C425 HydrophobicContact CG-CB 4.28Å; E422-C425 PolarHBondContact O-SG 2.97Å; V423-C425 PolarHBondContact O-N 3Å; C425-T437 PolarHBondContact O-N 3.05Å | ||
| 426 | Y | 89.3 | Confident | 88.8 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 26% | 0.263 | 20% | 0.204 | S | C | . | . | trans | -122.5 | 130.4 | -179 | -67.8 | -99.8 | 0 | 0 | 0 | 110.5 | T433 V434 F435 P436 T437 K461 | Y426-T433 WeakPolarHBondContact CE1-O 3.31Å; Y426-V434 PolarHBondContact OH-O 3.39Å; Y426-F435 VanDerWaalsContact CE1-O 3.24Å; Y426-F435 WeakPolarHBondContact CE1-O 3.3Å; Y426-P436 HydrophobicContact CE2-CG 4.42Å; Y426-T437 WeakPolarHBondContact CA-OG1 3.35Å; Y426-K461 WeakPolarHBondContact OH-CD 3.46Å; Y426-K461 PolarHBondContact OH-NZ 3.35Å; Y426-K461 VanDerWaalsContact OH-NZ 3.07Å | ||
| 427 | F | 87.5 | Confident | 88.6 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | trans | -115 | 86.9 | 168.9 | -171.7 | -114.6 | 0 | 0 | 0 | 110.1 | L398 L402 V429 I430 T437 | L398-F427 HydrophobicContact CB-CD2 4.24Å; L398-F427 HydrophobicContact CB-CE2 3.95Å; L398-F427 HydrophobicContact CB-CZ 4.29Å; L398-F427 HydrophobicContact CD1-CB 4.15Å; L398-F427 HydrophobicContact CD1-CD1 3.91Å; L398-F427 HydrophobicContact CD1-CD2 3.9Å; L398-F427 HydrophobicContact CD1-CE1 4.23Å; L398-F427 HydrophobicContact CD1-CE2 4.25Å; L398-F427 HydrophobicContact CD1-CG 3.72Å; L398-F427 HydrophobicContact CD1-CZ 4.4Å; L402-F427 HydrophobicContact CD1-CB 3.98Å; F427-V429 VanDerWaalsContact C-N 3.27Å; F427-V429 HydrophobicContact CE1-CB 3.96Å; F427-V429 HydrophobicContact CE2-CB 4.26Å; F427-V429 HydrophobicContact CE2-CG2 3.96Å; F427-V429 HydrophobicContact CZ-CB 3.81Å; F427-V429 HydrophobicContact CZ-CG1 4.48Å; F427-V429 HydrophobicContact CZ-CG2 3.96Å; F427-V429 PolarHBondContact O-N 3.45Å; F427-I430 HydrophobicContact CD1-CB 4.49Å; F427-I430 HydrophobicContact CD1-CD1 3.83Å; F427-I430 HydrophobicContact CD1-CG1 3.96Å; F427-I430 HydrophobicContact CE1-CD1 3.63Å; F427-I430 HydrophobicContact CE1-CG1 3.71Å; F427-T437 HydrophobicContact CB-CG2 4.21Å; F427-T437 PolarHBondContact N-OG1 2.89Å | ||
| 428 | R | 83.3 | Confident | 88.6 | Confident | 158 Ų | 158 | 40.7 Ų | 40.7 | 60% | 0.596 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4 | -168.2 | -62.3 | -176.2 | 178.1 | -178.4 | -1.3 | 114.9 | I430 | R428-I430 VanDerWaalsContact C-N 3.31Š|
| 429 | V | 77.8 | Confident | 88.6 | Confident | 125 Ų | 125 | 39 Ų | 39 | 76% | 0.758 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -36.7 | 177.5 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | F427 | F427-V429 VanDerWaalsContact C-N 3.27Å; F427-V429 HydrophobicContact CE1-CB 3.96Å; F427-V429 HydrophobicContact CE2-CB 4.26Å; F427-V429 HydrophobicContact CE2-CG2 3.96Å; F427-V429 HydrophobicContact CZ-CB 3.81Å; F427-V429 HydrophobicContact CZ-CG1 4.48Å; F427-V429 HydrophobicContact CZ-CG2 3.96Å; F427-V429 PolarHBondContact O-N 3.45Å |
| 430 | I | 71.9 | Confident | 88.3 | Confident | 98 Ų | 98 | 39.3 Ų | 39.3 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -57.3 | 179.6 | -59.5 | 171.6 | 0 | 0 | 0 | 110.5 | F427 R428 | F427-I430 HydrophobicContact CD1-CB 4.49Å; F427-I430 HydrophobicContact CD1-CD1 3.83Å; F427-I430 HydrophobicContact CD1-CG1 3.96Å; F427-I430 HydrophobicContact CE1-CD1 3.63Å; F427-I430 HydrophobicContact CE1-CG1 3.71Å; R428-I430 VanDerWaalsContact C-N 3.31Å |
| 431 | N | 75.1 | Confident | 88.3 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 22% | 0.219 | 19% | 0.19 | C | C | . | . | trans | -133.9 | 126.8 | -176.3 | -72 | -41.3 | 0 | 0 | 0 | 110.5 | T433 Y440 | N431-T433 HydrophobicContact CB-CG2 4.15Å; N431-T433 PolarHBondContact O-N 2.88Å; N431-Y440 WeakPolarHBondContact ND2-CD2 3.4Å; N431-Y440 WeakPolarHBondContact ND2-CE2 3.5Å | ||
| 432 | N | 85.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | trans | -95.3 | 79.5 | 175.9 | -172.9 | 31.4 | 0 | 0 | 0 | 109.6 | N492 V493 I494 | N432-N492 WeakPolarHBondContact CB-O 3.37Å; N432-N492 PolarHBondContact ND2-O 3.36Å; N432-V493 WeakPolarHBondContact ND2-CG2 3.4Å; N432-V493 CarbonylContact O-C 3.55Å; N432-V493 VanDerWaalsContact O-CA 3.27Å; N432-V493 WeakPolarHBondContact O-CA 3.43Å; N432-I494 PolarHBondContact O-N 2.8Å | ||
| 433 | T | 89.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 156.1 | -176.4 | 50 | 0 | 0 | 0 | 0 | 112.7 | Y426 N431 F435 I494 | Y426-T433 WeakPolarHBondContact CE1-O 3.31Å; N431-T433 HydrophobicContact CB-CG2 4.15Å; N431-T433 PolarHBondContact O-N 2.88Å; T433-F435 VanDerWaalsContact C-N 3.35Å; T433-F435 WeakPolarHBondContact CB-O 3.24Å; T433-F435 HydrophobicContact CG2-CD1 4.43Å; T433-F435 HydrophobicContact CG2-CE1 3.68Å; T433-F435 HydrophobicContact CG2-CE2 4.22Å; T433-F435 HydrophobicContact CG2-CZ 3.57Å; T433-F435 PolarHBondContact OG1-O 3.42Å; T433-I494 WeakPolarHBondContact CA-O 3.43Å; T433-I494 HydrophobicContact CG2-CB 4.44Å |
| 434 | V | 88.9 | Confident | 88.1 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -70.7 | -34.4 | 170.3 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | Y426 E464 F466 V493 I494 P495 | Y426-V434 PolarHBondContact OH-O 3.39Å; V434-E464 HydrophobicContact CG1-CB 4Å; V434-F466 HydrophobicContact CG2-CE2 4.18Å; V434-F466 HydrophobicContact CG2-CZ 4.48Å; V434-V493 HydrophobicContact CB-CG1 4.43Å; V434-V493 HydrophobicContact CG2-CG1 3.52Å; V434-I494 PolarHBondContact N-O 2.94Å; V434-I494 VanDerWaalsContact N-O 3.11Å; V434-P495 HydrophobicContact CG2-CB 4.45Å |
| 435 | F | 91.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -92.6 | 154.6 | 179.4 | 60.5 | -85.8 | 0 | 0 | 0 | 111.9 | Y426 T433 L439 K461 F496 F499 | Y426-F435 VanDerWaalsContact CE1-O 3.24Å; Y426-F435 WeakPolarHBondContact CE1-O 3.3Å; T433-F435 VanDerWaalsContact C-N 3.35Å; T433-F435 WeakPolarHBondContact CB-O 3.24Å; T433-F435 HydrophobicContact CG2-CD1 4.43Å; T433-F435 HydrophobicContact CG2-CE1 3.68Å; T433-F435 HydrophobicContact CG2-CE2 4.22Å; T433-F435 HydrophobicContact CG2-CZ 3.57Å; T433-F435 PolarHBondContact OG1-O 3.42Å; F435-L439 HydrophobicContact CD2-CB 4.11Å; F435-L439 HydrophobicContact CD2-CD2 3.87Å; F435-L439 HydrophobicContact CD2-CG 4.45Å; F435-L439 HydrophobicContact CE2-CB 4.23Å; F435-L439 HydrophobicContact CE2-CD2 4.09Å; F435-L439 HydrophobicContact CE2-CG 4.39Å; F435-K461 HydrophobicContact CB-CB 4.16Å; F435-F496 HydrophobicContact CD1-CB 3.79Å; F435-F496 HydrophobicContact CD1-CD2 4.33Å; F435-F496 HydrophobicContact CE1-CB 3.85Å; F435-F496 HydrophobicContact CE1-CD2 4.05Å; F435-F496 HydrophobicContact CE1-CG 4.48Å; F435-F496 HydrophobicContact CZ-CD2 4.14Å; F435-F499 HydrophobicContact CE1-CB 4.22Å; F435-F499 HydrophobicContact CE1-CD1 4.32Å; F435-F499 HydrophobicContact CE1-CG 4.39Å; F435-F499 HydrophobicContact CE2-CD1 4.41Å; F435-F499 HydrophobicContact CZ-CB 4.2Å; F435-F499 AromaticContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CE1 4.04Å; F435-F499 AromaticContact CZ-CG 3.87Å; F435-F499 HydrophobicContact CZ-CG 3.87Å |
| 436 | P | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -60 | 152.6 | -179.1 | -20.3 | 29.2 | 0 | 0 | 0 | 114.1 | N424 Y426 A438 Y457 K461 | N424-P436 HydrophobicContact CB-CB 4.32Å; N424-P436 HydrophobicContact CB-CG 3.89Å; Y426-P436 HydrophobicContact CE2-CG 4.42Å; P436-A438 VanDerWaalsContact C-N 3.33Å; P436-A438 PolarHBondContact O-N 3.42Å; P436-Y457 HydrophobicContact CB-CD2 4.4Å; P436-Y457 HydrophobicContact CB-CE2 3.66Å; P436-Y457 WeakPolarHBondContact CD-OH 3.4Å; P436-Y457 HydrophobicContact CG-CE2 3.97Å; P436-Y457 PolarHBondContact O-OH 3.24Å; P436-Y457 VanDerWaalsContact O-OH 3.08Å; P436-K461 HydrophobicContact CG-CD 4.42Å | ||
| 437 | T | 92.3 | Very high | 88.5 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29 | -168.8 | -62.2 | 0 | 0 | 0 | 0 | 113.6 | L402 C425 Y426 F427 L439 Y440 Y441 | L402-T437 HydrophobicContact CD1-CG2 4.11Å; L402-T437 HydrophobicContact CD2-CG2 4.25Å; C425-T437 PolarHBondContact O-N 3.05Å; Y426-T437 WeakPolarHBondContact CA-OG1 3.35Å; F427-T437 HydrophobicContact CB-CG2 4.21Å; F427-T437 PolarHBondContact N-OG1 2.89Å; T437-L439 PolarHBondContact O-N 3.13Å; T437-L439 VanDerWaalsContact O-N 3.11Å; T437-Y440 WeakPolarHBondContact O-CB 3.47Å; T437-Y440 PolarHBondContact O-N 2.91Å; T437-Y441 HydrophobicContact CG2-CE2 3.97Å |
| 438 | A | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.4 | -37.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L402 I405 P436 Y440 Y441 L452 Y457 | L402-A438 HydrophobicContact CD2-CB 4.04Å; I405-A438 HydrophobicContact CD1-CB 3.79Å; P436-A438 VanDerWaalsContact C-N 3.33Å; P436-A438 PolarHBondContact O-N 3.42Å; A438-Y440 PolarHBondContact O-N 3.18Å; A438-Y441 PolarHBondContact O-N 3.09Å; A438-Y441 VanDerWaalsContact O-N 3.07Å; A438-L452 HydrophobicContact CB-CD1 3.98Å; A438-Y457 HydrophobicContact CB-CD2 4.29Å; A438-Y457 HydrophobicContact CB-CE2 4.08Å |
| 439 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -29.7 | 179 | 179.4 | 64.3 | 0 | 0 | 0 | 113.4 | F435 T437 Y441 C442 L443 L449 Y457 C462 F496 V512 | F435-L439 HydrophobicContact CD2-CB 4.11Å; F435-L439 HydrophobicContact CD2-CD2 3.87Å; F435-L439 HydrophobicContact CD2-CG 4.45Å; F435-L439 HydrophobicContact CE2-CB 4.23Å; F435-L439 HydrophobicContact CE2-CD2 4.09Å; F435-L439 HydrophobicContact CE2-CG 4.39Å; T437-L439 PolarHBondContact O-N 3.13Å; T437-L439 VanDerWaalsContact O-N 3.11Å; L439-Y441 PolarHBondContact O-N 2.99Å; L439-C442 PolarHBondContact O-N 3.17Å; L439-L443 HydrophobicContact CD1-CD2 4.12Å; L439-L443 HydrophobicContact CG-CD2 4.16Å; L439-L443 WeakPolarHBondContact O-CG 3.37Å; L439-L443 PolarHBondContact O-N 3.25Å; L439-L449 HydrophobicContact CD1-CD1 3.55Å; L439-L449 HydrophobicContact CD1-CD2 4.41Å; L439-Y457 HydrophobicContact CB-CE1 4.39Å; L439-Y457 HydrophobicContact CB-CE2 4.11Å; L439-Y457 WeakPolarHBondContact CB-OH 3.49Å; L439-C462 WeakPolarHBondContact CD2-SG 3.14Å; L439-F496 HydrophobicContact CD2-CD2 3.97Å; L439-F496 HydrophobicContact CD2-CE2 3.71Å; L439-V512 HydrophobicContact CD1-CG1 4.11Å |
| 440 | Y | 88.1 | Confident | 90.2 | Very high | 92 Ų | 92 | 38.1 Ų | 38.1 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.9 | -35.7 | 176.4 | 176.2 | -90.9 | 0 | 0 | 0 | 111.6 | N431 T437 A438 F499 | N431-Y440 WeakPolarHBondContact ND2-CD2 3.4Å; N431-Y440 WeakPolarHBondContact ND2-CE2 3.5Å; T437-Y440 WeakPolarHBondContact O-CB 3.47Å; T437-Y440 PolarHBondContact O-N 2.91Å; A438-Y440 PolarHBondContact O-N 3.18Å; Y440-F499 HydrophobicContact CD2-CE1 4.34Å; Y440-F499 AromaticContact CD2-CE2 3.47Å; Y440-F499 HydrophobicContact CD2-CE2 3.47Å; Y440-F499 VanDerWaalsContact CD2-CE2 3.47Å; Y440-F499 AromaticContact CD2-CZ 3.25Å; Y440-F499 HydrophobicContact CD2-CZ 3.25Å; Y440-F499 AromaticContact CE2-CE2 3.67Å; Y440-F499 HydrophobicContact CE2-CE2 3.67Å; Y440-F499 AromaticContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CG-CZ 4.24Å |
| 441 | Y | 91.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 18% | 0.18 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -87.1 | -26.8 | -175.8 | -62.2 | -54.9 | 0 | 0 | 0 | 113.7 | L402 R406 T437 A438 L439 | L402-Y441 HydrophobicContact CB-CE2 4.23Å; L402-Y441 HydrophobicContact CD2-CE2 4.35Å; R406-Y441 HydrophobicContact CB-CD1 3.81Å; R406-Y441 HydrophobicContact CB-CD2 4.17Å; R406-Y441 HydrophobicContact CB-CE1 4.06Å; R406-Y441 HydrophobicContact CB-CE2 4.38Å; R406-Y441 HydrophobicContact CB-CG 3.9Å; R406-Y441 HydrophobicContact CG-CD1 3.68Å; R406-Y441 HydrophobicContact CG-CE1 3.77Å; R406-Y441 HydrophobicContact CG-CG 4.28Å; T437-Y441 HydrophobicContact CG2-CE2 3.97Å; A438-Y441 PolarHBondContact O-N 3.09Å; A438-Y441 VanDerWaalsContact O-N 3.07Å; L439-Y441 PolarHBondContact O-N 2.99Å |
| 442 | C | 92.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -103 | 14.4 | -174.4 | 62.3 | 0 | 0 | 0 | 0 | 114.9 | L439 R444 D445 M448 L449 L452 | L439-C442 PolarHBondContact O-N 3.17Å; C442-R444 PolarHBondContact O-N 3.23Å; C442-R444 VanDerWaalsContact O-N 3.07Å; C442-D445 CarbonylContact O-C 3.53Å; C442-D445 PolarHBondContact O-N 3.48Å; C442-M448 HydrophobicContact CB-CB 4.18Å; C442-M448 HydrophobicContact CB-CG 4.03Å; C442-L449 HydrophobicContact CB-CB 4.25Å; C442-L452 HydrophobicContact CB-CD1 4.47Å |
| 443 | L | 91 | Very high | 92.5 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -56.5 | -27.7 | 179.2 | -70.7 | -176.4 | 0 | 0 | 0 | 114.3 | L439 F499 L505 L508 V512 | L439-L443 HydrophobicContact CD1-CD2 4.12Å; L439-L443 HydrophobicContact CG-CD2 4.16Å; L439-L443 WeakPolarHBondContact O-CG 3.37Å; L439-L443 PolarHBondContact O-N 3.25Å; L443-F499 HydrophobicContact CD1-CE1 3.7Å; L443-F499 HydrophobicContact CD1-CZ 4.05Å; L443-F499 HydrophobicContact CD2-CE1 4.49Å; L443-F499 HydrophobicContact CG-CE1 4.43Å; L443-L505 HydrophobicContact CD1-CD1 3.79Å; L443-L505 HydrophobicContact CD1-CD2 3.65Å; L443-L505 HydrophobicContact CD1-CG 4.24Å; L443-L508 HydrophobicContact CB-CD1 4.16Å; L443-V512 HydrophobicContact CD2-CG1 4.1Å; L443-V512 HydrophobicContact CD2-CG2 4.04Å; L443-V512 WeakPolarHBondContact O-CG2 3.48Å |
| 444 | R | 91.8 | Very high | 92.5 | Very high | 189 Ų | 189 | 33.3 Ų | 33.3 | 71% | 0.713 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -97.8 | -21.1 | 177.6 | -65.7 | -177.7 | 178.3 | -146.9 | -2.1 | 113 | C442 L508 | C442-R444 PolarHBondContact O-N 3.23Å; C442-R444 VanDerWaalsContact O-N 3.07Å; R444-L508 HydrophobicContact CG-CD1 3.62Å; R444-L508 HydrophobicContact CG-CD2 4.42Å |
| 445 | D | 94.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | trans | -104.3 | 91.7 | -175.9 | -173 | -17 | 0 | 0 | 0 | 109.2 | Y410 C442 D447 M448 L449 | Y410-D445 PolarHBondContact OH-OD1 3.45Å; Y410-D445 PolarHBondContact OH-OD2 3.44Å; C442-D445 CarbonylContact O-C 3.53Å; C442-D445 PolarHBondContact O-N 3.48Å; D445-D447 VanDerWaalsContact C-N 3.26Å; D445-D447 PolarHBondContact O-N 2.96Å; D445-D447 PolarHBondContact OD1-N 3.31Å; D445-D447 VanDerWaalsContact OD1-N 3.12Å; D445-M448 HydrophobicContact CB-CB 4.01Å; D445-M448 VanDerWaalsContact CG-CB 3.4Å; D445-M448 PolarHBondContact OD1-N 2.7Å; D445-M448 WeakPolarHBondContact OD2-CB 3.44Å; D445-L449 WeakPolarHBondContact O-CB 3.49Å; D445-L449 PolarHBondContact O-N 3.32Å | ||
| 446 | H | 93.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.2 | -26.7 | -178 | -63 | 164.6 | 0 | 0 | 0 | 112.9 | R450 S511 I515 | H446-R450 WeakPolarHBondContact O-CB 3.44Å; H446-R450 WeakPolarHBondContact O-CG 3.26Å; H446-R450 PolarHBondContact O-N 3.08Å; H446-S511 PolarHBondContact CE1-OG 3.34Å; H446-S511 PolarHBondContact NE2-OG 3.04Å; H446-I515 HydrophobicContact CB-CD1 3.7Å |
| 447 | D | 92.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 40% | 0.396 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -80.2 | -42 | -177.7 | -63.4 | -31.3 | 0 | 0 | 0 | 110.2 | Y410 D445 L449 R450 L451 | Y410-D447 HydrophobicContact CE1-CB 4.26Å; D445-D447 VanDerWaalsContact C-N 3.26Å; D445-D447 PolarHBondContact O-N 2.96Å; D445-D447 PolarHBondContact OD1-N 3.31Å; D445-D447 VanDerWaalsContact OD1-N 3.12Å; D447-L449 VanDerWaalsContact C-N 3.32Å; D447-L449 PolarHBondContact O-N 3.41Å; D447-R450 PolarHBondContact O-N 3.42Å; D447-R450 IonicContact OD1-NH1 2.97Å; D447-R450 PolarHBondContact OD1-NH1 3.09Å; D447-L451 WeakPolarHBondContact O-CB 3.43Å; D447-L451 PolarHBondContact O-N 2.73Å |
| 448 | M | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 167.5 | -175 | 65.7 | 68.8 | 0 | 0 | 111.4 | I405 Y410 V413 C442 D445 R450 L451 L452 | I405-M448 HydrophobicContact CG1-SD 4.39Å; I405-M448 HydrophobicContact CG2-CG 4.13Å; Y410-M448 HydrophobicContact CD1-CE 3.88Å; Y410-M448 HydrophobicContact CD2-CE 3.84Å; Y410-M448 HydrophobicContact CE1-CB 4.11Å; Y410-M448 HydrophobicContact CE1-CE 3.94Å; Y410-M448 HydrophobicContact CE2-CE 3.84Å; Y410-M448 HydrophobicContact CG-CE 3.85Å; Y410-M448 PolarHBondContact OH-N 2.88Å; V413-M448 HydrophobicContact CB-SD 4.33Å; V413-M448 HydrophobicContact CG1-SD 4.11Å; V413-M448 HydrophobicContact CG2-CE 4.14Å; V413-M448 HydrophobicContact CG2-SD 4.02Å; C442-M448 HydrophobicContact CB-CB 4.18Å; C442-M448 HydrophobicContact CB-CG 4.03Å; D445-M448 HydrophobicContact CB-CB 4.01Å; D445-M448 VanDerWaalsContact CG-CB 3.4Å; D445-M448 PolarHBondContact OD1-N 2.7Å; D445-M448 WeakPolarHBondContact OD2-CB 3.44Å; M448-R450 PolarHBondContact O-N 2.87Å; M448-L451 WeakPolarHBondContact O-CB 3.44Å; M448-L451 PolarHBondContact O-N 3.07Å; M448-L451 HydrophobicContact SD-CD2 4.07Å; M448-L452 HydrophobicContact CG-CD1 4.19Å; M448-L452 VanDerWaalsContact O-CG 3.24Å; M448-L452 WeakPolarHBondContact O-CG 3.36Å; M448-L452 PolarHBondContact O-N 3.34Å |
| 449 | L | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 175.4 | 175.1 | 57.6 | 0 | 0 | 0 | 111.6 | L439 C442 D445 D447 L452 L453 V512 I515 | L439-L449 HydrophobicContact CD1-CD1 3.55Å; L439-L449 HydrophobicContact CD1-CD2 4.41Å; C442-L449 HydrophobicContact CB-CB 4.25Å; D445-L449 WeakPolarHBondContact O-CB 3.49Å; D445-L449 PolarHBondContact O-N 3.32Å; D447-L449 VanDerWaalsContact C-N 3.32Å; D447-L449 PolarHBondContact O-N 3.41Å; L449-L452 PolarHBondContact O-N 3.49Å; L449-L453 HydrophobicContact CD1-CD1 3.71Å; L449-L453 HydrophobicContact CD1-CG 4.05Å; L449-L453 HydrophobicContact CG-CD1 3.72Å; L449-L453 HydrophobicContact CG-CG 4.49Å; L449-L453 WeakPolarHBondContact O-CB 3.43Å; L449-L453 WeakPolarHBondContact O-CD1 3.36Å; L449-L453 WeakPolarHBondContact O-CG 3.42Å; L449-L453 PolarHBondContact O-N 2.9Å; L449-V512 HydrophobicContact CD2-CG1 4.14Å; L449-V512 HydrophobicContact CD2-CG2 4.49Å; L449-I515 HydrophobicContact CD2-CB 4.21Å; L449-I515 HydrophobicContact CD2-CD1 4.15Å; L449-I515 HydrophobicContact CD2-CG2 3.97Å; L449-I515 HydrophobicContact CG-CG2 4.16Å |
| 450 | R | 94.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.3 | -76.9 | -176.8 | -174.8 | 105.1 | 0.4 | 112 | H446 D447 M448 L452 L453 N454 I515 | H446-R450 WeakPolarHBondContact O-CB 3.44Å; H446-R450 WeakPolarHBondContact O-CG 3.26Å; H446-R450 PolarHBondContact O-N 3.08Å; D447-R450 PolarHBondContact O-N 3.42Å; D447-R450 IonicContact OD1-NH1 2.97Å; D447-R450 PolarHBondContact OD1-NH1 3.09Å; M448-R450 PolarHBondContact O-N 2.87Å; R450-L452 PolarHBondContact O-N 3.27Å; R450-L453 PolarHBondContact O-N 2.99Å; R450-N454 VanDerWaalsContact O-CB 3.26Å; R450-N454 WeakPolarHBondContact O-CB 3.23Å; R450-N454 PolarHBondContact O-N 2.87Å; R450-N454 PolarHBondContact O-ND2 3.08Å; R450-I515 HydrophobicContact CG-CG2 4.07Å |
| 451 | L | 93.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.3 | -51.6 | 174.4 | 176.5 | 63.2 | 0 | 0 | 0 | 110.8 | Y410 V413 K414 D447 M448 L453 N454 S455 | Y410-L451 HydrophobicContact CD1-CD2 4.12Å; V413-L451 HydrophobicContact CB-CD2 4.31Å; V413-L451 HydrophobicContact CG1-CD2 3.83Å; K414-L451 HydrophobicContact CG-CD1 4.08Å; K414-L451 HydrophobicContact CG-CD2 4.09Å; D447-L451 WeakPolarHBondContact O-CB 3.43Å; D447-L451 PolarHBondContact O-N 2.73Å; M448-L451 WeakPolarHBondContact O-CB 3.44Å; M448-L451 PolarHBondContact O-N 3.07Å; M448-L451 HydrophobicContact SD-CD2 4.07Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 PolarHBondContact O-N 3.21Å; L451-N454 WeakPolarHBondContact O-CB 3.48Å; L451-N454 PolarHBondContact O-N 3.01Å; L451-S455 WeakPolarHBondContact O-CB 3.24Å; L451-S455 PolarHBondContact O-N 2.95Å; L451-S455 PolarHBondContact O-OG 3.26Å; L451-S455 VanDerWaalsContact O-OG 3.12Å |
| 452 | L | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | -179.4 | -62.1 | 168.9 | 0 | 0 | 0 | 112.5 | I405 V413 V423 A438 C442 M448 L449 R450 S455 G456 Y457 | I405-L452 HydrophobicContact CD1-CD1 4.02Å; I405-L452 HydrophobicContact CD1-CD2 3.55Å; I405-L452 HydrophobicContact CD1-CG 4.44Å; I405-L452 HydrophobicContact CG1-CD1 4.4Å; I405-L452 HydrophobicContact CG1-CD2 4.02Å; I405-L452 HydrophobicContact CG2-CD1 4.2Å; V413-L452 HydrophobicContact CG1-CD2 4.09Å; V423-L452 HydrophobicContact CG2-CB 4.04Å; V423-L452 HydrophobicContact CG2-CD2 3.63Å; V423-L452 HydrophobicContact CG2-CG 4.39Å; A438-L452 HydrophobicContact CB-CD1 3.98Å; C442-L452 HydrophobicContact CB-CD1 4.47Å; M448-L452 HydrophobicContact CG-CD1 4.19Å; M448-L452 VanDerWaalsContact O-CG 3.24Å; M448-L452 WeakPolarHBondContact O-CG 3.36Å; M448-L452 PolarHBondContact O-N 3.34Å; L449-L452 PolarHBondContact O-N 3.49Å; R450-L452 PolarHBondContact O-N 3.27Å; L452-S455 CarbonylContact O-C 3.52Å; L452-S455 WeakPolarHBondContact O-CA 3.11Å; L452-S455 PolarHBondContact O-N 3.5Å; L452-S455 VanDerWaalsContact O-N 3.16Å; L452-G456 PolarHBondContact O-N 2.98Å; L452-Y457 WeakPolarHBondContact O-CB 3.25Å; L452-Y457 PolarHBondContact O-N 2.87Å |
| 453 | L | 92.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.8 | -71.1 | 165.1 | 0 | 0 | 0 | 112.3 | L449 R450 L451 S455 G456 Y457 A459 I515 L516 Y519 R561 | L449-L453 HydrophobicContact CD1-CD1 3.71Å; L449-L453 HydrophobicContact CD1-CG 4.05Å; L449-L453 HydrophobicContact CG-CD1 3.72Å; L449-L453 HydrophobicContact CG-CG 4.49Å; L449-L453 WeakPolarHBondContact O-CB 3.43Å; L449-L453 WeakPolarHBondContact O-CD1 3.36Å; L449-L453 WeakPolarHBondContact O-CG 3.42Å; L449-L453 PolarHBondContact O-N 2.9Å; R450-L453 PolarHBondContact O-N 2.99Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 PolarHBondContact O-N 3.21Å; L453-S455 PolarHBondContact O-N 2.86Å; L453-G456 PolarHBondContact O-N 2.75Å; L453-G456 VanDerWaalsContact O-N 3.14Å; L453-Y457 HydrophobicContact CD2-CD1 3.78Å; L453-Y457 HydrophobicContact CD2-CG 4.39Å; L453-A459 HydrophobicContact CD2-CB 3.73Å; L453-I515 HydrophobicContact CD1-CG2 3.67Å; L453-L516 HydrophobicContact CD1-CD2 4.22Å; L453-L516 HydrophobicContact CD2-CD2 3.93Å; L453-Y519 HydrophobicContact CB-CD1 3.68Å; L453-Y519 HydrophobicContact CB-CD2 3.87Å; L453-Y519 HydrophobicContact CB-CE1 3.53Å; L453-Y519 HydrophobicContact CB-CE2 3.76Å; L453-Y519 HydrophobicContact CB-CG 3.83Å; L453-Y519 HydrophobicContact CD1-CD2 3.63Å; L453-Y519 HydrophobicContact CD1-CE2 3.66Å; L453-Y519 HydrophobicContact CD1-CG 4.27Å; L453-Y519 HydrophobicContact CD2-CD2 4.17Å; L453-Y519 HydrophobicContact CD2-CG 4.01Å; L453-Y519 HydrophobicContact CG-CD2 4.11Å; L453-Y519 HydrophobicContact CG-CE2 4.26Å; L453-Y519 HydrophobicContact CG-CG 4.27Å; L453-R561 PolarHBondContact O-NH2 3.12Å |
| 454 | N | 90.6 | Very high | 92.5 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -26.6 | 170.5 | -75.6 | -19.1 | 0 | 0 | 0 | 112 | R450 L451 Y519 R561 Y590 | R450-N454 VanDerWaalsContact O-CB 3.26Å; R450-N454 WeakPolarHBondContact O-CB 3.23Å; R450-N454 PolarHBondContact O-N 2.87Å; R450-N454 PolarHBondContact O-ND2 3.08Å; L451-N454 WeakPolarHBondContact O-CB 3.48Å; L451-N454 PolarHBondContact O-N 3.01Å; N454-Y519 WeakPolarHBondContact OD1-CE1 3.4Å; N454-Y519 PolarHBondContact OD1-OH 3.47Å; N454-R561 VanDerWaalsContact C-NH2 3.33Å; N454-R561 PolarHBondContact O-NH2 3.18Å; N454-Y590 WeakPolarHBondContact OD1-CD2 3.36Å |
| 455 | S | 90.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.3 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 115.7 | L451 L452 L453 N570 | L451-S455 WeakPolarHBondContact O-CB 3.24Å; L451-S455 PolarHBondContact O-N 2.95Å; L451-S455 PolarHBondContact O-OG 3.26Å; L451-S455 VanDerWaalsContact O-OG 3.12Å; L452-S455 CarbonylContact O-C 3.52Å; L452-S455 WeakPolarHBondContact O-CA 3.11Å; L452-S455 PolarHBondContact O-N 3.5Å; L452-S455 VanDerWaalsContact O-N 3.16Å; L453-S455 PolarHBondContact O-N 2.86Å; S455-N570 WeakPolarHBondContact CA-OD1 3.35Å; S455-N570 WeakPolarHBondContact CB-OD1 3.25Å; S455-N570 PolarHBondContact OG-OD1 3.39Å |
| 456 | G | 89.8 | Confident | 91.3 | Very high | 25 Ų | 25 | 38 Ų | 38 | 26% | 0.258 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96 | 21.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N424 L452 L453 Q458 | N424-G456 PolarHBondContact ND2-O 3.23Å; L452-G456 PolarHBondContact O-N 2.98Å; L453-G456 PolarHBondContact O-N 2.75Å; L453-G456 VanDerWaalsContact O-N 3.14Å; G456-Q458 PolarHBondContact O-N 3.31Å |
| 457 | Y | 93.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | trans | -59.5 | 131.8 | 169.4 | -176.7 | -82.5 | 0 | 0 | 0 | 111.3 | V423 N424 P436 A438 L439 L452 L453 A459 | V423-Y457 HydrophobicContact CG2-CD2 4.32Å; N424-Y457 WeakPolarHBondContact OD1-CA 3.37Å; P436-Y457 HydrophobicContact CB-CD2 4.4Å; P436-Y457 HydrophobicContact CB-CE2 3.66Å; P436-Y457 WeakPolarHBondContact CD-OH 3.4Å; P436-Y457 HydrophobicContact CG-CE2 3.97Å; P436-Y457 PolarHBondContact O-OH 3.24Å; P436-Y457 VanDerWaalsContact O-OH 3.08Å; A438-Y457 HydrophobicContact CB-CD2 4.29Å; A438-Y457 HydrophobicContact CB-CE2 4.08Å; L439-Y457 HydrophobicContact CB-CE1 4.39Å; L439-Y457 HydrophobicContact CB-CE2 4.11Å; L439-Y457 WeakPolarHBondContact CB-OH 3.49Å; L452-Y457 WeakPolarHBondContact O-CB 3.25Å; L452-Y457 PolarHBondContact O-N 2.87Å; L453-Y457 HydrophobicContact CD2-CD1 3.78Å; L453-Y457 HydrophobicContact CD2-CG 4.39Å; Y457-A459 VanDerWaalsContact C-N 3.33Å; Y457-A459 PolarHBondContact O-N 3.36Å | ||
| 458 | Q | 92.3 | Very high | 88.6 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | trans | -79.9 | 74.1 | -174.6 | -72.5 | 174.5 | -2.9 | 0 | 0 | 111.8 | N424 G456 H460 K461 | N424-Q458 WeakPolarHBondContact OD1-CB 3.27Å; N424-Q458 VanDerWaalsContact OD1-CG 3.3Å; N424-Q458 WeakPolarHBondContact OD1-CG 3.46Å; N424-Q458 PolarHBondContact OD1-N 3.38Å; G456-Q458 PolarHBondContact O-N 3.31Å; Q458-H460 PolarHBondContact O-N 3.38Å; Q458-H460 VanDerWaalsContact O-N 3.16Å; Q458-K461 HydrophobicContact CB-CD 4.08Å; Q458-K461 HydrophobicContact CB-CG 4.23Å; Q458-K461 WeakPolarHBondContact O-CB 3.26Å; Q458-K461 PolarHBondContact O-N 3.04Å; Q458-K461 VanDerWaalsContact O-N 3.14Å | ||
| 459 | A | 93.5 | Very high | 86.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -54.8 | -33 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L453 Y457 K461 C462 F463 L516 V520 | L453-A459 HydrophobicContact CD2-CB 3.73Å; Y457-A459 VanDerWaalsContact C-N 3.33Å; Y457-A459 PolarHBondContact O-N 3.36Å; A459-K461 PolarHBondContact O-N 2.86Å; A459-C462 VanDerWaalsContact O-CB 3.29Å; A459-C462 WeakPolarHBondContact O-CB 3.15Å; A459-C462 PolarHBondContact O-N 3.33Å; A459-F463 WeakPolarHBondContact O-CD2 3.31Å; A459-L516 HydrophobicContact CB-CD2 3.84Å; A459-V520 HydrophobicContact CB-CG1 3.69Å |
| 460 | H | 91.9 | Very high | 84.3 | Confident | 87 Ų | 87 | 50.5 Ų | 50.5 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -58 | -31.4 | 179.8 | 66.3 | -88.1 | 0 | 0 | 0 | 113 | Q458 C462 F463 E464 V520 | Q458-H460 PolarHBondContact O-N 3.38Å; Q458-H460 VanDerWaalsContact O-N 3.16Å; H460-C462 PolarHBondContact O-N 2.93Å; H460-F463 PolarHBondContact O-N 3.43Å; H460-E464 IonicContact CD2-OE1 2.75Å; H460-V520 HydrophobicContact CB-CG1 4.25Å |
| 461 | K | 91.6 | Very high | 81.8 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -64.7 | -23 | 178 | -69.8 | -175.6 | 162.9 | 172.5 | 0 | 113.3 | Y426 F435 P436 Q458 A459 F463 E464 | Y426-K461 WeakPolarHBondContact OH-CD 3.46Å; Y426-K461 PolarHBondContact OH-NZ 3.35Å; Y426-K461 VanDerWaalsContact OH-NZ 3.07Å; F435-K461 HydrophobicContact CB-CB 4.16Å; P436-K461 HydrophobicContact CG-CD 4.42Å; Q458-K461 HydrophobicContact CB-CD 4.08Å; Q458-K461 HydrophobicContact CB-CG 4.23Å; Q458-K461 WeakPolarHBondContact O-CB 3.26Å; Q458-K461 PolarHBondContact O-N 3.04Å; Q458-K461 VanDerWaalsContact O-N 3.14Å; A459-K461 PolarHBondContact O-N 2.86Å; K461-F463 PolarHBondContact O-N 3.46Å; K461-E464 PolarHBondContact O-N 3.17Å |
| 462 | C | 92.1 | Very high | 79.2 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -69.1 | -14.4 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | L439 A459 H460 F496 L516 | L439-C462 WeakPolarHBondContact CD2-SG 3.14Å; A459-C462 VanDerWaalsContact O-CB 3.29Å; A459-C462 WeakPolarHBondContact O-CB 3.15Å; A459-C462 PolarHBondContact O-N 3.33Å; H460-C462 PolarHBondContact O-N 2.93Å; C462-F496 HydrophobicContact CB-CB 4.18Å; C462-F496 HydrophobicContact CB-CD1 4.2Å; C462-F496 HydrophobicContact CB-CD2 4.31Å; C462-F496 HydrophobicContact CB-CG 3.98Å; C462-F496 WeakPolarHBondContact O-CB 3.45Å; C462-F496 WeakPolarHBondContact O-CD1 3.44Å; C462-L516 HydrophobicContact CB-CD1 3.89Å |
| 463 | F | 91.8 | Very high | 76.7 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -105.7 | 0.5 | 179.1 | -56.4 | -77.1 | 0 | 0 | 0 | 112.7 | A459 H460 K461 V513 L516 V520 I523 I525 L529 | A459-F463 WeakPolarHBondContact O-CD2 3.31Å; H460-F463 PolarHBondContact O-N 3.43Å; K461-F463 PolarHBondContact O-N 3.46Å; F463-V513 HydrophobicContact CE1-CG1 4.18Å; F463-V513 HydrophobicContact CZ-CG1 4.41Å; F463-L516 HydrophobicContact CE2-CB 4.06Å; F463-L516 HydrophobicContact CZ-CB 3.93Å; F463-L516 HydrophobicContact CZ-CD1 4.42Å; F463-V520 HydrophobicContact CD2-CG1 4.25Å; F463-V520 HydrophobicContact CE2-CG1 3.99Å; F463-V520 HydrophobicContact CE2-CG2 4.18Å; F463-I523 HydrophobicContact CB-CD1 4.18Å; F463-I523 HydrophobicContact CD1-CD1 3.36Å; F463-I523 HydrophobicContact CD2-CD1 3.47Å; F463-I523 VanDerWaalsContact CD2-CD1 3.47Å; F463-I523 HydrophobicContact CE1-CD1 3.4Å; F463-I523 VanDerWaalsContact CE1-CD1 3.4Å; F463-I523 HydrophobicContact CE2-CD1 3.51Å; F463-I523 HydrophobicContact CG-CD1 3.36Å; F463-I523 HydrophobicContact CZ-CD1 3.47Å; F463-I523 VanDerWaalsContact CZ-CD1 3.47Å; F463-I525 HydrophobicContact CD1-CG2 4.1Å; F463-I525 HydrophobicContact CE1-CG2 4.23Å; F463-L529 HydrophobicContact CD1-CD2 4.22Å; F463-L529 HydrophobicContact CE1-CD2 4.34Å |
| 464 | E | 87.7 | Confident | 74.2 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | trans | -80.4 | 120 | 172.4 | -66.7 | 180 | -168.4 | 0 | 0 | 110.3 | V434 H460 K461 | V434-E464 HydrophobicContact CG1-CB 4Å; H460-E464 IonicContact CD2-OE1 2.75Å; K461-E464 PolarHBondContact O-N 3.17Å | ||
| 465 | C | 83.3 | Confident | 72 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | trans | -148.2 | 167.7 | 173.9 | 83.1 | 0 | 0 | 0 | 0 | 112.5 | P495 C526 | C465-P495 HydrophobicContact CB-CB 3.78Å; C465-P495 HydrophobicContact CB-CG 4.41Å; C465-C526 WeakPolarHBondContact SG-CB 3.46Å; C465-C526 VanDerWaalsContact SG-SG 3.69Å | ||
| 466 | F | 77.3 | Confident | 69.5 | Low | 116 Ų | 116 | 83.3 Ų | 83.3 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -95.2 | -12.2 | -176.2 | -53 | -74 | 0 | 0 | 0 | 114.1 | V434 N468 K469 | V434-F466 HydrophobicContact CG2-CE2 4.18Å; V434-F466 HydrophobicContact CG2-CZ 4.48Å; F466-N468 VanDerWaalsContact C-N 3.3Å; F466-N468 PolarHBondContact O-N 3.02Å; F466-K469 PolarHBondContact O-N 3.48Å |
| 467 | H | 70.1 | Confident | 66.8 | Low | 74 Ų | 74 | 93.7 Ų | 93.7 | 34% | 0.343 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.1 | -172.2 | -66.2 | 91.8 | 0 | 0 | 0 | 115 | E498 C526 | H467-E498 IonicContact CE1-OE1 3.87Å; H467-E498 PolarHBondContact CE1-OE1 3.1Å; H467-E498 IonicContact NE2-OE1 3.85Å; H467-E498 PolarHBondContact NE2-OE1 2.93Å; H467-C526 HydrophobicContact CB-CB 4.49Å |
| 468 | N | 60.3 | Low | 64.1 | Low | 73 Ų | 73 | 96.4 Ų | 96.4 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -10.7 | -179 | -73.7 | -4.7 | 0 | 0 | 0 | 113.5 | F466 S470 | F466-N468 VanDerWaalsContact C-N 3.3Å; F466-N468 PolarHBondContact O-N 3.02Å; N468-S470 PolarHBondContact O-N 2.98Å |
| 469 | K | 56.3 | Low | 61.8 | Low | 150 Ų | 150 | 98.4 Ų | 98.4 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.3 | -178.6 | -66.1 | -174 | 179.9 | -179.9 | 0 | 113.8 | F466 | F466-K469 PolarHBondContact O-N 3.48Š|
| 470 | S | 44.5 | Very low | 59.1 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.6 | 177.7 | 160.9 | 0 | 0 | 0 | 0 | 113.9 | N468 | N468-S470 PolarHBondContact O-N 2.98Š|
| 471 | K | 41 | Very low | 56.6 | Low | 187 Ų | 187 | 109.3 Ų | 109.3 | 81% | 0.813 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -96.9 | -11 | -174.6 | -74.7 | -171.3 | 175.9 | -176.1 | 0 | 115 | ||
| 472 | D | 39.6 | Very low | 54.3 | Low | 143 Ų | 143 | 111.7 Ų | 111.7 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | trans | -110.4 | 20.7 | -179.2 | -63.9 | -31.4 | 0 | 0 | 0 | 113.1 | D474 | D472-D474 PolarHBondContact O-N 2.87Š| ||
| 473 | L | 40.9 | Very low | 51.7 | Low | 152 Ų | 152 | 117.9 Ų | 117.9 | 80% | 0.796 | 60% | 0.598 | S | S | * | * | trans | -90.7 | 57.5 | 170.1 | -142.7 | 83.2 | 0 | 0 | 0 | 110.6 | ||||
| 474 | D | 40.1 | Very low | 49 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 79% | 0.786 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -125.6 | 121.5 | 158.5 | -133.2 | -8.2 | 0 | 0 | 0 | 108.5 | D472 | D472-D474 PolarHBondContact O-N 2.87Š|
| 475 | S | 45.3 | Very low | 46.7 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 67.4 | 85.6 | 172 | 69.5 | 0 | 0 | 0 | 0 | 118.6 | ||
| 476 | T | 37.4 | Very low | 44.4 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 83% | 0.828 | 65% | 0.648 | S | S | * | * | S | Bend | 164.1 | 117.9 | 108.7 | 30.1 | 0 | 0 | 0 | 0 | 111.9 | |||
| 477 | W | 32.1 | Very low | 42.5 | Very low | 243 Ų | 243 | 126.7 Ų | 126.7 | 92% | 0.92 | 66% | 0.656 | S | S | * | * | trans | 47.9 | 73.1 | 153.8 | -93.4 | 81.2 | 0 | 0 | 0 | 118.6 | ||||
| 478 | T | 36.7 | Very low | 41 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 41% | 0.411 | 68% | 0.677 | S | S | . | * | trans | -70.3 | 141.3 | 133.6 | 48.1 | 0 | 0 | 0 | 0 | 107.9 | N482 | T478-N482 HydrophobicContact CG2-CB 4.49Š| ||
| 479 | D | 45.4 | Very low | 39.9 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | 175.1 | 62.2 | 105 | -80.7 | -22.1 | 0 | 0 | 0 | 113.3 | |||||
| 480 | L | 36.8 | Very low | 39.4 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -146.7 | -32.8 | 154.7 | -105.9 | 123.8 | 0 | 0 | 0 | 114 | ||
| 481 | H | 38.8 | Very low | 39.7 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.745 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -84.4 | -28.6 | 177.5 | -146.9 | 66.9 | 0 | 0 | 0 | 113.2 | Q483 A484 | H481-Q483 VanDerWaalsContact C-N 3.31Å; H481-Q483 PolarHBondContact O-N 3.39Å; H481-A484 PolarHBondContact O-N 2.78Å |
| 482 | N | 42.4 | Very low | 40.9 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 48% | 0.476 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -79.6 | -8.8 | 178.2 | -84.2 | -18.9 | 0 | 0 | 0 | 114.4 | T478 K486 | T478-N482 HydrophobicContact CG2-CB 4.49Å; N482-K486 PolarHBondContact O-N 3.36Å |
| 483 | Q | 38.2 | Very low | 42.9 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 62% | 0.621 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -83.6 | -20.7 | 173.2 | -153 | 155.6 | 11.7 | 0 | 0 | 112.2 | H481 | H481-Q483 VanDerWaalsContact C-N 3.31Å; H481-Q483 PolarHBondContact O-N 3.39Å |
| 484 | A | 33.8 | Very low | 45.2 | Very low | 58 Ų | 58 | 122.9 Ų | 122.9 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -77.3 | -35.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H481 K486 I487 | H481-A484 PolarHBondContact O-N 2.78Å; A484-K486 VanDerWaalsContact C-N 3.31Å; A484-K486 PolarHBondContact O-N 3.33Å; A484-I487 PolarHBondContact O-N 3.09Å |
| 485 | C | 39.7 | Very low | 47.6 | Very low | 72 Ų | 72 | 115.9 Ų | 115.9 | 49% | 0.486 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.4 | -21.1 | 176.2 | -71.5 | 0 | 0 | 0 | 0 | 114 | I487 C489 | C485-I487 VanDerWaalsContact C-N 3.34Å; C485-C489 PolarHBondContact O-SG 3Å; C485-C489 VanDerWaalsContact O-SG 3.38Å |
| 486 | K | 36.4 | Very low | 49.8 | Very low | 172 Ų | 172 | 111 Ų | 111 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -6.3 | 173.2 | -83.5 | -179 | 177 | 175.8 | 0 | 114.4 | N482 A484 | N482-K486 PolarHBondContact O-N 3.36Å; A484-K486 VanDerWaalsContact C-N 3.31Å; A484-K486 PolarHBondContact O-N 3.33Å |
| 487 | I | 37 | Very low | 52.4 | Low | 134 Ų | 134 | 104.8 Ų | 104.8 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -95.3 | -11.7 | 176.1 | -64.4 | 173.5 | 0 | 0 | 0 | 111.8 | A484 C485 | A484-I487 PolarHBondContact O-N 3.09Å; C485-I487 VanDerWaalsContact C-N 3.34Å |
| 488 | Y | 38.7 | Very low | 55.1 | Low | 202 Ų | 202 | 97.1 Ų | 97.1 | 79% | 0.792 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -118.3 | 17.4 | 176.9 | -71.3 | -77.3 | 0 | 0 | 0 | 114.9 | Q490 | Y488-Q490 PolarHBondContact O-N 3.35Š|
| 489 | C | 37.2 | Very low | 57.6 | Low | 95 Ų | 95 | 94.8 Ų | 94.8 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | trans | -64.6 | 96.8 | 169.8 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | C485 | C485-C489 PolarHBondContact O-SG 3Å; C485-C489 VanDerWaalsContact O-SG 3.38Å | ||
| 490 | Q | 46.3 | Very low | 59.7 | Low | 152 Ų | 152 | 89.7 Ų | 89.7 | 71% | 0.71 | 47% | 0.465 | S | S | * | . | trans | -66.9 | 128.9 | 162.1 | -72.6 | -108.1 | -23.5 | 0 | 0 | 108.8 | Y488 N492 | Y488-Q490 PolarHBondContact O-N 3.35Å; Q490-N492 VanDerWaalsContact C-N 3.3Å; Q490-N492 PolarHBondContact O-N 3.23Å; Q490-N492 VanDerWaalsContact O-N 3.12Å | ||
| 491 | P | 49.7 | Very low | 62.1 | Low | 117 Ų | 117 | 84.2 Ų | 84.2 | 76% | 0.76 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -72.2 | -5.8 | -163.8 | -18.3 | 31.4 | 0 | 0 | 0 | 117.3 | ||
| 492 | N | 66.9 | Low | 64.4 | Low | 126 Ų | 126 | 79.3 Ų | 79.3 | 67% | 0.674 | 42% | 0.421 | S | S | * | . | trans | -138.1 | 64.6 | -165.6 | -69.6 | -21.9 | 0 | 0 | 0 | 112.9 | N432 Q490 | N432-N492 WeakPolarHBondContact CB-O 3.37Å; N432-N492 PolarHBondContact ND2-O 3.36Å; Q490-N492 VanDerWaalsContact C-N 3.3Å; Q490-N492 PolarHBondContact O-N 3.23Å; Q490-N492 VanDerWaalsContact O-N 3.12Å | ||
| 493 | V | 82 | Confident | 66 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -100 | 119.6 | 171.2 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | N432 V434 P495 | N432-V493 WeakPolarHBondContact ND2-CG2 3.4Å; N432-V493 CarbonylContact O-C 3.55Å; N432-V493 VanDerWaalsContact O-CA 3.27Å; N432-V493 WeakPolarHBondContact O-CA 3.43Å; V434-V493 HydrophobicContact CB-CG1 4.43Å; V434-V493 HydrophobicContact CG2-CG1 3.52Å; V493-P495 WeakPolarHBondContact O-CD 3.26Å |
| 494 | I | 87.3 | Confident | 68.1 | Low | 54 Ų | 54 | 82.2 Ų | 82.2 | 28% | 0.277 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 116.3 | -172.8 | -56 | 169.1 | 0 | 0 | 0 | 110 | N432 T433 V434 E498 F499 | N432-I494 PolarHBondContact O-N 2.8Å; T433-I494 WeakPolarHBondContact CA-O 3.43Å; T433-I494 HydrophobicContact CG2-CB 4.44Å; V434-I494 PolarHBondContact N-O 2.94Å; V434-I494 VanDerWaalsContact N-O 3.11Å; I494-E498 HydrophobicContact CG2-CB 4.09Å; I494-F499 HydrophobicContact CG2-CB 4.01Å |
| 495 | P | 90.9 | Very high | 70.7 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 155.2 | 170.6 | 31.8 | -34.2 | 0 | 0 | 0 | 110.9 | V434 C465 V493 C497 E498 F499 | V434-P495 HydrophobicContact CG2-CB 4.45Å; C465-P495 HydrophobicContact CB-CB 3.78Å; C465-P495 HydrophobicContact CB-CG 4.41Å; V493-P495 WeakPolarHBondContact O-CD 3.26Å; P495-C497 VanDerWaalsContact C-N 3.26Å; P495-C497 PolarHBondContact O-N 3.27Å; P495-E498 HydrophobicContact CG-CB 4.06Å; P495-E498 HydrophobicContact CG-CG 3.83Å; P495-E498 WeakPolarHBondContact CG-OE1 3.49Å; P495-E498 PolarHBondContact O-N 3.23Å; P495-F499 PolarHBondContact O-N 3.5Å |
| 496 | F | 91.8 | Very high | 72.9 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.1 | -39.3 | -178.6 | 179.7 | -106.4 | 0 | 0 | 0 | 113.3 | F435 L439 C462 E498 F499 V500 V512 V513 L516 L529 | F435-F496 HydrophobicContact CD1-CB 3.79Å; F435-F496 HydrophobicContact CD1-CD2 4.33Å; F435-F496 HydrophobicContact CE1-CB 3.85Å; F435-F496 HydrophobicContact CE1-CD2 4.05Å; F435-F496 HydrophobicContact CE1-CG 4.48Å; F435-F496 HydrophobicContact CZ-CD2 4.14Å; L439-F496 HydrophobicContact CD2-CD2 3.97Å; L439-F496 HydrophobicContact CD2-CE2 3.71Å; C462-F496 HydrophobicContact CB-CB 4.18Å; C462-F496 HydrophobicContact CB-CD1 4.2Å; C462-F496 HydrophobicContact CB-CD2 4.31Å; C462-F496 HydrophobicContact CB-CG 3.98Å; C462-F496 WeakPolarHBondContact O-CB 3.45Å; C462-F496 WeakPolarHBondContact O-CD1 3.44Å; F496-E498 VanDerWaalsContact C-N 3.29Å; F496-E498 PolarHBondContact O-N 2.97Å; F496-F499 HydrophobicContact CD2-CD1 4.33Å; F496-F499 WeakPolarHBondContact O-CB 3.24Å; F496-F499 PolarHBondContact O-N 2.95Å; F496-F499 VanDerWaalsContact O-N 3.13Å; F496-V500 HydrophobicContact CD1-CG1 4.48Å; F496-V500 HydrophobicContact CD2-CG1 4.05Å; F496-V500 HydrophobicContact CE1-CG1 3.97Å; F496-V500 HydrophobicContact CE1-CG2 4.25Å; F496-V500 HydrophobicContact CE2-CG1 3.49Å; F496-V500 VanDerWaalsContact CE2-CG1 3.49Å; F496-V500 HydrophobicContact CZ-CG1 3.45Å; F496-V500 VanDerWaalsContact CZ-CG1 3.45Å; F496-V500 WeakPolarHBondContact O-CG2 3.36Å; F496-V500 PolarHBondContact O-N 3.4Å; F496-V512 HydrophobicContact CE2-CG1 4.5Å; F496-V512 HydrophobicContact CZ-CG1 4.04Å; F496-V513 HydrophobicContact CE1-CG2 3.73Å; F496-V513 HydrophobicContact CZ-CG2 4.33Å; F496-L516 HydrophobicContact CZ-CD1 4.27Å; F496-L529 HydrophobicContact CD1-CD1 4.46Å; F496-L529 HydrophobicContact CE1-CD1 4.35Å |
| 497 | C | 91.5 | Very high | 75.4 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 179 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | P495 S501 C526 L529 I532 | P495-C497 VanDerWaalsContact C-N 3.26Å; P495-C497 PolarHBondContact O-N 3.27Å; C497-S501 PolarHBondContact O-N 3.2Å; C497-S501 PolarHBondContact O-OG 3.49Å; C497-C526 VanDerWaalsContact SG-SG 3.7Å; C497-L529 HydrophobicContact CB-CB 3.8Å; C497-I532 WeakPolarHBondContact O-CD1 3.29Å |
| 498 | E | 89.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75 | -41 | 174.2 | -75.5 | 174.1 | -148.3 | 0 | 0 | 110.7 | H467 I494 P495 F496 V500 S501 | H467-E498 IonicContact CE1-OE1 3.87Å; H467-E498 PolarHBondContact CE1-OE1 3.1Å; H467-E498 IonicContact NE2-OE1 3.85Å; H467-E498 PolarHBondContact NE2-OE1 2.93Å; I494-E498 HydrophobicContact CG2-CB 4.09Å; P495-E498 HydrophobicContact CG-CB 4.06Å; P495-E498 HydrophobicContact CG-CG 3.83Å; P495-E498 WeakPolarHBondContact CG-OE1 3.49Å; P495-E498 PolarHBondContact O-N 3.23Å; F496-E498 VanDerWaalsContact C-N 3.29Å; F496-E498 PolarHBondContact O-N 2.97Å; E498-V500 PolarHBondContact O-N 3.4Å; E498-S501 VanDerWaalsContact O-CB 3.25Å; E498-S501 WeakPolarHBondContact O-CB 3.45Å; E498-S501 PolarHBondContact O-N 3.25Å |
| 499 | F | 88.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 178.3 | 177.2 | -112.5 | 0 | 0 | 0 | 112.5 | F435 Y440 L443 I494 P495 F496 S501 L505 | F435-F499 HydrophobicContact CE1-CB 4.22Å; F435-F499 HydrophobicContact CE1-CD1 4.32Å; F435-F499 HydrophobicContact CE1-CG 4.39Å; F435-F499 HydrophobicContact CE2-CD1 4.41Å; F435-F499 HydrophobicContact CZ-CB 4.2Å; F435-F499 AromaticContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CD1 3.56Å; F435-F499 HydrophobicContact CZ-CE1 4.04Å; F435-F499 AromaticContact CZ-CG 3.87Å; F435-F499 HydrophobicContact CZ-CG 3.87Å; Y440-F499 HydrophobicContact CD2-CE1 4.34Å; Y440-F499 AromaticContact CD2-CE2 3.47Å; Y440-F499 HydrophobicContact CD2-CE2 3.47Å; Y440-F499 VanDerWaalsContact CD2-CE2 3.47Å; Y440-F499 AromaticContact CD2-CZ 3.25Å; Y440-F499 HydrophobicContact CD2-CZ 3.25Å; Y440-F499 AromaticContact CE2-CE2 3.67Å; Y440-F499 HydrophobicContact CE2-CE2 3.67Å; Y440-F499 AromaticContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CE2-CZ 3.75Å; Y440-F499 HydrophobicContact CG-CZ 4.24Å; L443-F499 HydrophobicContact CD1-CE1 3.7Å; L443-F499 HydrophobicContact CD1-CZ 4.05Å; L443-F499 HydrophobicContact CD2-CE1 4.49Å; L443-F499 HydrophobicContact CG-CE1 4.43Å; I494-F499 HydrophobicContact CG2-CB 4.01Å; P495-F499 PolarHBondContact O-N 3.5Å; F496-F499 HydrophobicContact CD2-CD1 4.33Å; F496-F499 WeakPolarHBondContact O-CB 3.24Å; F496-F499 PolarHBondContact O-N 2.95Å; F496-F499 VanDerWaalsContact O-N 3.13Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 2.96Å; F499-L505 HydrophobicContact CD1-CD1 4.39Å; F499-L505 HydrophobicContact CD2-CD1 4.45Å; F499-L505 HydrophobicContact CE1-CD1 3.94Å; F499-L505 HydrophobicContact CE2-CD1 3.93Å; F499-L505 HydrophobicContact CZ-CD1 3.62Å |
| 500 | V | 89.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.8 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 114 | F496 E498 V502 A506 A509 L529 I532 | F496-V500 HydrophobicContact CD1-CG1 4.48Å; F496-V500 HydrophobicContact CD2-CG1 4.05Å; F496-V500 HydrophobicContact CE1-CG1 3.97Å; F496-V500 HydrophobicContact CE1-CG2 4.25Å; F496-V500 HydrophobicContact CE2-CG1 3.49Å; F496-V500 VanDerWaalsContact CE2-CG1 3.49Å; F496-V500 HydrophobicContact CZ-CG1 3.45Å; F496-V500 VanDerWaalsContact CZ-CG1 3.45Å; F496-V500 WeakPolarHBondContact O-CG2 3.36Å; F496-V500 PolarHBondContact O-N 3.4Å; E498-V500 PolarHBondContact O-N 3.4Å; V500-V502 PolarHBondContact O-N 2.85Å; V500-A506 VanDerWaalsContact O-CA 3.28Å; V500-A506 WeakPolarHBondContact O-CA 3.28Å; V500-A506 PolarHBondContact O-N 2.91Å; V500-A509 HydrophobicContact CB-CB 4.06Å; V500-A509 HydrophobicContact CG2-CB 4Å; V500-L529 HydrophobicContact CG2-CD1 3.94Å; V500-I532 HydrophobicContact CG2-CD1 4.15Å |
| 501 | S | 87.2 | Confident | 85.7 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.9 | 175.4 | -68 | 0 | 0 | 0 | 0 | 113 | C497 E498 F499 N528 I532 | C497-S501 PolarHBondContact O-N 3.2Å; C497-S501 PolarHBondContact O-OG 3.49Å; E498-S501 VanDerWaalsContact O-CB 3.25Å; E498-S501 WeakPolarHBondContact O-CB 3.45Å; E498-S501 PolarHBondContact O-N 3.25Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 2.96Å; S501-N528 PolarHBondContact OG-ND2 3.4Å; S501-I532 VanDerWaalsContact OG-CD1 3.23Å; S501-I532 WeakPolarHBondContact OG-CD1 3.46Å |
| 502 | V | 86.1 | Confident | 87.9 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -66.1 | 136.3 | -179.1 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | V500 W504 L505 A506 | V500-V502 PolarHBondContact O-N 2.85Å; V502-W504 VanDerWaalsContact C-N 3.27Å; V502-W504 HydrophobicContact CG1-CD2 3.87Å; V502-W504 HydrophobicContact CG1-CE3 4.45Å; V502-W504 HydrophobicContact CG1-CG 4.24Å; V502-W504 HydrophobicContact CG1-CH2 4.47Å; V502-W504 HydrophobicContact CG1-CZ2 3.88Å; V502-W504 PolarHBondContact O-N 3.43Å; V502-W504 VanDerWaalsContact O-N 3.12Å; V502-L505 PolarHBondContact O-N 2.95Å; V502-A506 PolarHBondContact O-N 2.96Å |
| 503 | S | 77.5 | Confident | 89.2 | Confident | 105 Ų | 105 | 38.3 Ų | 38.3 | 73% | 0.734 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -37.7 | -169.6 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | L505 | S503-L505 VanDerWaalsContact C-N 3.34Š|
| 504 | W | 82.7 | Confident | 89.9 | Confident | 178 Ų | 178 | 38.1 Ų | 38.1 | 67% | 0.674 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.4 | 179 | 63.4 | 58.4 | 0 | 0 | 0 | 114.2 | V502 H507 | V502-W504 VanDerWaalsContact C-N 3.27Å; V502-W504 HydrophobicContact CG1-CD2 3.87Å; V502-W504 HydrophobicContact CG1-CE3 4.45Å; V502-W504 HydrophobicContact CG1-CG 4.24Å; V502-W504 HydrophobicContact CG1-CH2 4.47Å; V502-W504 HydrophobicContact CG1-CZ2 3.88Å; V502-W504 PolarHBondContact O-N 3.43Å; V502-W504 VanDerWaalsContact O-N 3.12Å; W504-H507 PolarHBondContact O-CE1 3.12Å; W504-H507 PolarHBondContact O-ND1 2.99Å |
| 505 | L | 86.6 | Confident | 90.2 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -23.5 | 175.4 | -67.8 | -174.1 | 0 | 0 | 0 | 113.1 | L443 F499 V502 S503 H507 L508 A509 | L443-L505 HydrophobicContact CD1-CD1 3.79Å; L443-L505 HydrophobicContact CD1-CD2 3.65Å; L443-L505 HydrophobicContact CD1-CG 4.24Å; F499-L505 HydrophobicContact CD1-CD1 4.39Å; F499-L505 HydrophobicContact CD2-CD1 4.45Å; F499-L505 HydrophobicContact CE1-CD1 3.94Å; F499-L505 HydrophobicContact CE2-CD1 3.93Å; F499-L505 HydrophobicContact CZ-CD1 3.62Å; V502-L505 PolarHBondContact O-N 2.95Å; S503-L505 VanDerWaalsContact C-N 3.34Å; L505-H507 PolarHBondContact O-N 2.91Å; L505-L508 HydrophobicContact CD2-CD1 4.25Å; L505-L508 WeakPolarHBondContact O-CB 3.48Å; L505-L508 PolarHBondContact O-N 3.04Å; L505-A509 PolarHBondContact O-N 3.44Å |
| 506 | A | 87.5 | Confident | 90.4 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 23% | 0.231 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -54.8 | -33.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | V500 V502 L508 A509 I532 | V500-A506 VanDerWaalsContact O-CA 3.28Å; V500-A506 WeakPolarHBondContact O-CA 3.28Å; V500-A506 PolarHBondContact O-N 2.91Å; V502-A506 PolarHBondContact O-N 2.96Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 2.92Å; A506-A509 WeakPolarHBondContact O-CB 3.38Å; A506-A509 PolarHBondContact O-N 3.29Å; A506-I532 HydrophobicContact CB-CG2 4.25Å |
| 507 | H | 88.8 | Confident | 90.5 | Very high | 114 Ų | 114 | 36 Ų | 36 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -69.6 | -22.3 | 177.6 | 70.3 | -84.1 | 0 | 0 | 0 | 114 | W504 L505 | W504-H507 PolarHBondContact O-CE1 3.12Å; W504-H507 PolarHBondContact O-ND1 2.99Å; L505-H507 PolarHBondContact O-N 2.91Å |
| 508 | L | 92.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -87.9 | -12.4 | 176.9 | -57.3 | 174.5 | 0 | 0 | 0 | 112.3 | L443 R444 L505 A506 G510 S511 V512 | L443-L508 HydrophobicContact CB-CD1 4.16Å; R444-L508 HydrophobicContact CG-CD1 3.62Å; R444-L508 HydrophobicContact CG-CD2 4.42Å; L505-L508 HydrophobicContact CD2-CD1 4.25Å; L505-L508 WeakPolarHBondContact O-CB 3.48Å; L505-L508 PolarHBondContact O-N 3.04Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 2.92Å; L508-G510 VanDerWaalsContact C-N 3.31Å; L508-G510 PolarHBondContact O-N 2.75Å; L508-S511 PolarHBondContact O-OG 3.09Å; L508-V512 WeakPolarHBondContact O-CB 3.15Å; L508-V512 VanDerWaalsContact O-CG2 3.28Å; L508-V512 WeakPolarHBondContact O-CG2 3.45Å; L508-V512 PolarHBondContact O-N 3.36Å; L508-V512 VanDerWaalsContact O-N 3.15Å |
| 509 | A | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V500 L505 A506 V513 I532 L533 | V500-A509 HydrophobicContact CB-CB 4.06Å; V500-A509 HydrophobicContact CG2-CB 4Å; L505-A509 PolarHBondContact O-N 3.44Å; A506-A509 WeakPolarHBondContact O-CB 3.38Å; A506-A509 PolarHBondContact O-N 3.29Å; A509-V513 VanDerWaalsContact O-CB 3.25Å; A509-V513 WeakPolarHBondContact O-CB 3.33Å; A509-V513 VanDerWaalsContact O-CG2 3.22Å; A509-V513 WeakPolarHBondContact O-CG2 3.47Å; A509-V513 PolarHBondContact O-N 3.1Å; A509-I532 HydrophobicContact CB-CG2 3.87Å; A509-L533 HydrophobicContact CB-CD2 4.13Å |
| 510 | G | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -60.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L508 V512 V513 R514 E538 I542 | L508-G510 VanDerWaalsContact C-N 3.31Å; L508-G510 PolarHBondContact O-N 2.75Å; G510-V512 PolarHBondContact O-N 3.43Å; G510-V513 PolarHBondContact O-N 3.19Å; G510-R514 WeakPolarHBondContact O-CB 3.46Å; G510-R514 PolarHBondContact O-N 2.78Å; G510-E538 WeakPolarHBondContact CA-OE2 3.25Å; G510-I542 WeakPolarHBondContact O-CD1 3.45Å |
| 511 | S | 94.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 179.5 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | H446 L508 R514 I515 | H446-S511 PolarHBondContact CE1-OG 3.34Å; H446-S511 PolarHBondContact NE2-OG 3.04Å; L508-S511 PolarHBondContact O-OG 3.09Å; S511-R514 PolarHBondContact O-N 3.46Å; S511-I515 WeakPolarHBondContact O-CG1 3.48Å; S511-I515 PolarHBondContact O-N 2.93Å |
| 512 | V | 95.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -48.2 | 179.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | L439 L443 L449 F496 L508 G510 R514 I515 L516 | L439-V512 HydrophobicContact CD1-CG1 4.11Å; L443-V512 HydrophobicContact CD2-CG1 4.1Å; L443-V512 HydrophobicContact CD2-CG2 4.04Å; L443-V512 WeakPolarHBondContact O-CG2 3.48Å; L449-V512 HydrophobicContact CD2-CG1 4.14Å; L449-V512 HydrophobicContact CD2-CG2 4.49Å; F496-V512 HydrophobicContact CE2-CG1 4.5Å; F496-V512 HydrophobicContact CZ-CG1 4.04Å; L508-V512 WeakPolarHBondContact O-CB 3.15Å; L508-V512 VanDerWaalsContact O-CG2 3.28Å; L508-V512 WeakPolarHBondContact O-CG2 3.45Å; L508-V512 PolarHBondContact O-N 3.36Å; L508-V512 VanDerWaalsContact O-N 3.15Å; G510-V512 PolarHBondContact O-N 3.43Å; V512-R514 VanDerWaalsContact C-N 3.27Å; V512-R514 PolarHBondContact O-N 3.24Å; V512-I515 PolarHBondContact O-N 3.43Å; V512-L516 HydrophobicContact CG1-CD1 3.95Å; V512-L516 HydrophobicContact CG1-CG 4.31Å; V512-L516 VanDerWaalsContact O-CG 3.28Å; V512-L516 WeakPolarHBondContact O-CG 3.24Å; V512-L516 PolarHBondContact O-N 3.43Å |
| 513 | V | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 178.1 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | F463 F496 A509 G510 I515 L516 L517 L529 L533 I542 | F463-V513 HydrophobicContact CE1-CG1 4.18Å; F463-V513 HydrophobicContact CZ-CG1 4.41Å; F496-V513 HydrophobicContact CE1-CG2 3.73Å; F496-V513 HydrophobicContact CZ-CG2 4.33Å; A509-V513 VanDerWaalsContact O-CB 3.25Å; A509-V513 WeakPolarHBondContact O-CB 3.33Å; A509-V513 VanDerWaalsContact O-CG2 3.22Å; A509-V513 WeakPolarHBondContact O-CG2 3.47Å; A509-V513 PolarHBondContact O-N 3.1Å; G510-V513 PolarHBondContact O-N 3.19Å; V513-I515 VanDerWaalsContact C-N 3.32Å; V513-I515 PolarHBondContact O-N 2.73Å; V513-L516 PolarHBondContact O-N 2.79Å; V513-L517 HydrophobicContact CG1-CD1 4.07Å; V513-L517 HydrophobicContact CG1-CG 4.34Å; V513-L517 VanDerWaalsContact O-CG 3.3Å; V513-L517 WeakPolarHBondContact O-CG 3.31Å; V513-L517 PolarHBondContact O-N 3.04Å; V513-L529 HydrophobicContact CG2-CD1 4.36Å; V513-L533 HydrophobicContact CB-CD1 4.37Å; V513-L533 HydrophobicContact CB-CD2 4Å; V513-L533 HydrophobicContact CG1-CD1 3.93Å; V513-L533 HydrophobicContact CG1-CD2 4.41Å; V513-L533 HydrophobicContact CG2-CD1 4.29Å; V513-L533 HydrophobicContact CG2-CD2 3.95Å; V513-I542 HydrophobicContact CB-CD1 4.4Å; V513-I542 HydrophobicContact CG1-CD1 4.24Å; V513-I542 HydrophobicContact CG1-CG2 4.41Å |
| 514 | R | 95.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 176.7 | 177.4 | 57.1 | -167.2 | 85.1 | 0.5 | 111.6 | G510 S511 V512 L517 D518 E541 I542 | G510-R514 WeakPolarHBondContact O-CB 3.46Å; G510-R514 PolarHBondContact O-N 2.78Å; S511-R514 PolarHBondContact O-N 3.46Å; V512-R514 VanDerWaalsContact C-N 3.27Å; V512-R514 PolarHBondContact O-N 3.24Å; R514-L517 PolarHBondContact O-N 3.26Å; R514-D518 IonicContact CZ-OD1 3.99Å; R514-D518 IonicContact CZ-OD2 3.46Å; R514-D518 IonicContact NH1-OD1 3.91Å; R514-D518 PolarHBondContact NH1-OD1 3.15Å; R514-D518 IonicContact NH1-OD2 3.08Å; R514-D518 PolarHBondContact NH1-OD2 3.1Å; R514-D518 IonicContact NH2-OD1 3.97Å; R514-E541 IonicContact CZ-OE1 3.01Å; R514-E541 VanDerWaalsContact CZ-OE1 3.24Å; R514-E541 IonicContact NE-OE1 2.8Å; R514-E541 PolarHBondContact NE-OE1 3.41Å; R514-E541 IonicContact NE-OE2 3.24Å; R514-E541 IonicContact NH2-OE1 3.62Å; R514-E541 PolarHBondContact NH2-OE1 3.1Å; R514-I542 HydrophobicContact CB-CD1 4.3Å; R514-I542 HydrophobicContact CB-CG1 4.11Å |
| 515 | I | 94.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.8 | -66 | 165.8 | 0 | 0 | 0 | 110.8 | H446 L449 R450 L453 S511 V512 V513 L517 D518 Y519 | H446-I515 HydrophobicContact CB-CD1 3.7Å; L449-I515 HydrophobicContact CD2-CB 4.21Å; L449-I515 HydrophobicContact CD2-CD1 4.15Å; L449-I515 HydrophobicContact CD2-CG2 3.97Å; L449-I515 HydrophobicContact CG-CG2 4.16Å; R450-I515 HydrophobicContact CG-CG2 4.07Å; L453-I515 HydrophobicContact CD1-CG2 3.67Å; S511-I515 WeakPolarHBondContact O-CG1 3.48Å; S511-I515 PolarHBondContact O-N 2.93Å; V512-I515 PolarHBondContact O-N 3.43Å; V513-I515 VanDerWaalsContact C-N 3.32Å; V513-I515 PolarHBondContact O-N 2.73Å; I515-L517 PolarHBondContact O-N 3.36Å; I515-D518 WeakPolarHBondContact O-CB 3.4Å; I515-D518 PolarHBondContact O-N 3.04Å; I515-Y519 HydrophobicContact CG2-CE2 4.4Å; I515-Y519 WeakPolarHBondContact O-CD2 3.36Å |
| 516 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59 | -32.1 | -179.7 | -69.2 | 172.9 | 0 | 0 | 0 | 112.7 | L453 A459 C462 F463 F496 V512 V513 D518 Y519 | L453-L516 HydrophobicContact CD1-CD2 4.22Å; L453-L516 HydrophobicContact CD2-CD2 3.93Å; A459-L516 HydrophobicContact CB-CD2 3.84Å; C462-L516 HydrophobicContact CB-CD1 3.89Å; F463-L516 HydrophobicContact CE2-CB 4.06Å; F463-L516 HydrophobicContact CZ-CB 3.93Å; F463-L516 HydrophobicContact CZ-CD1 4.42Å; F496-L516 HydrophobicContact CZ-CD1 4.27Å; V512-L516 HydrophobicContact CG1-CD1 3.95Å; V512-L516 HydrophobicContact CG1-CG 4.31Å; V512-L516 VanDerWaalsContact O-CG 3.28Å; V512-L516 WeakPolarHBondContact O-CG 3.24Å; V512-L516 PolarHBondContact O-N 3.43Å; V513-L516 PolarHBondContact O-N 2.79Å; L516-D518 PolarHBondContact O-N 2.66Å; L516-Y519 PolarHBondContact O-N 3.47Å |
| 517 | L | 94 | Very high | 92 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -25 | 177.2 | -73.4 | 167.4 | 0 | 0 | 0 | 113.3 | V513 R514 I515 Y519 V520 I523 I542 V545 L546 R550 | V513-L517 HydrophobicContact CG1-CD1 4.07Å; V513-L517 HydrophobicContact CG1-CG 4.34Å; V513-L517 VanDerWaalsContact O-CG 3.3Å; V513-L517 WeakPolarHBondContact O-CG 3.31Å; V513-L517 PolarHBondContact O-N 3.04Å; R514-L517 PolarHBondContact O-N 3.26Å; I515-L517 PolarHBondContact O-N 3.36Å; L517-Y519 PolarHBondContact O-N 3.24Å; L517-V520 HydrophobicContact CD2-CG2 4.13Å; L517-I523 HydrophobicContact CD2-CD1 3.68Å; L517-I523 HydrophobicContact CD2-CG1 4.05Å; L517-I542 HydrophobicContact CD1-CB 4.41Å; L517-I542 HydrophobicContact CD1-CG1 4.24Å; L517-I542 HydrophobicContact CD1-CG2 3.98Å; L517-V545 HydrophobicContact CB-CG1 4.07Å; L517-V545 HydrophobicContact CD1-CB 4.43Å; L517-V545 HydrophobicContact CD1-CG1 3.87Å; L517-V545 HydrophobicContact CD2-CG1 4.19Å; L517-V545 HydrophobicContact CG-CG1 4.27Å; L517-L546 HydrophobicContact CD2-CD2 3.88Å; L517-R550 PolarHBondContact O-NH2 3.1Å |
| 518 | D | 92.3 | Very high | 92 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4.6 | 175.6 | -62.7 | -28.6 | 0 | 0 | 0 | 113.5 | R514 I515 L516 H554 Y590 | R514-D518 IonicContact CZ-OD1 3.99Å; R514-D518 IonicContact CZ-OD2 3.46Å; R514-D518 IonicContact NH1-OD1 3.91Å; R514-D518 PolarHBondContact NH1-OD1 3.15Å; R514-D518 IonicContact NH1-OD2 3.08Å; R514-D518 PolarHBondContact NH1-OD2 3.1Å; R514-D518 IonicContact NH2-OD1 3.97Å; I515-D518 WeakPolarHBondContact O-CB 3.4Å; I515-D518 PolarHBondContact O-N 3.04Å; L516-D518 PolarHBondContact O-N 2.66Å; D518-H554 PolarHBondContact O-CE1 3.31Å; D518-H554 VanDerWaalsContact O-CE1 3.25Å; D518-Y590 PolarHBondContact O-OH 3.47Å |
| 519 | Y | 93.2 | Very high | 92 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 7.6 | -176.8 | -62.7 | -92.7 | 0 | 0 | 0 | 113.4 | L453 N454 I515 L516 L517 Y590 | L453-Y519 HydrophobicContact CB-CD1 3.68Å; L453-Y519 HydrophobicContact CB-CD2 3.87Å; L453-Y519 HydrophobicContact CB-CE1 3.53Å; L453-Y519 HydrophobicContact CB-CE2 3.76Å; L453-Y519 HydrophobicContact CB-CG 3.83Å; L453-Y519 HydrophobicContact CD1-CD2 3.63Å; L453-Y519 HydrophobicContact CD1-CE2 3.66Å; L453-Y519 HydrophobicContact CD1-CG 4.27Å; L453-Y519 HydrophobicContact CD2-CD2 4.17Å; L453-Y519 HydrophobicContact CD2-CG 4.01Å; L453-Y519 HydrophobicContact CG-CD2 4.11Å; L453-Y519 HydrophobicContact CG-CE2 4.26Å; L453-Y519 HydrophobicContact CG-CG 4.27Å; N454-Y519 WeakPolarHBondContact OD1-CE1 3.4Å; N454-Y519 PolarHBondContact OD1-OH 3.47Å; I515-Y519 HydrophobicContact CG2-CE2 4.4Å; I515-Y519 WeakPolarHBondContact O-CD2 3.36Å; L516-Y519 PolarHBondContact O-N 3.47Å; L517-Y519 PolarHBondContact O-N 3.24Å; Y519-Y590 HydrophobicContact CD1-CE1 4.38Å; Y519-Y590 HydrophobicContact CD1-CE2 4.11Å; Y519-Y590 AromaticContact CD1-CZ 3.71Å; Y519-Y590 WeakPolarHBondContact CD1-OH 3.28Å; Y519-Y590 HydrophobicContact CE1-CD1 4.41Å; Y519-Y590 HydrophobicContact CE1-CD2 4.13Å; Y519-Y590 AromaticContact CE1-CE1 3.86Å; Y519-Y590 HydrophobicContact CE1-CE1 3.86Å; Y519-Y590 AromaticContact CE1-CE2 3.55Å; Y519-Y590 HydrophobicContact CE1-CE2 3.55Å; Y519-Y590 AromaticContact CE1-CZ 3.39Å |
| 520 | V | 92.3 | Very high | 92 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | trans | -124.5 | 153.1 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | A459 H460 F463 L517 I523 H554 L558 | A459-V520 HydrophobicContact CB-CG1 3.69Å; H460-V520 HydrophobicContact CB-CG1 4.25Å; F463-V520 HydrophobicContact CD2-CG1 4.25Å; F463-V520 HydrophobicContact CE2-CG1 3.99Å; F463-V520 HydrophobicContact CE2-CG2 4.18Å; L517-V520 HydrophobicContact CD2-CG2 4.13Å; V520-I523 HydrophobicContact CB-CG2 4.15Å; V520-I523 HydrophobicContact CG2-CD1 3.83Å; V520-I523 HydrophobicContact CG2-CG1 3.94Å; V520-I523 HydrophobicContact CG2-CG2 4.26Å; V520-H554 PolarHBondContact O-NE2 3.44Å; V520-L558 WeakPolarHBondContact O-CD1 3.46Å | ||
| 521 | S | 90.4 | Very high | 91.9 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 44% | 0.441 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -73.4 | -156.1 | 170.1 | 59.6 | 0 | 0 | 0 | 0 | 110 | I523 | S521-I523 PolarHBondContact O-N 3Š|
| 522 | H | 87.2 | Confident | 91.8 | Very high | 129 Ų | 129 | 39.1 Ų | 39.1 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -62.4 | 127.4 | 170.5 | -169.9 | -78.3 | 0 | 0 | 0 | 110.8 | ||
| 523 | I | 87.6 | Confident | 91.7 | Very high | 29 Ų | 29 | 39 Ų | 39 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | trans | -136.8 | 150.7 | 179.8 | 51.3 | 152.6 | 0 | 0 | 0 | 110.9 | F463 L517 V520 S521 L546 | F463-I523 HydrophobicContact CB-CD1 4.18Å; F463-I523 HydrophobicContact CD1-CD1 3.36Å; F463-I523 HydrophobicContact CD2-CD1 3.47Å; F463-I523 VanDerWaalsContact CD2-CD1 3.47Å; F463-I523 HydrophobicContact CE1-CD1 3.4Å; F463-I523 VanDerWaalsContact CE1-CD1 3.4Å; F463-I523 HydrophobicContact CE2-CD1 3.51Å; F463-I523 HydrophobicContact CG-CD1 3.36Å; F463-I523 HydrophobicContact CZ-CD1 3.47Å; F463-I523 VanDerWaalsContact CZ-CD1 3.47Å; L517-I523 HydrophobicContact CD2-CD1 3.68Å; L517-I523 HydrophobicContact CD2-CG1 4.05Å; V520-I523 HydrophobicContact CB-CG2 4.15Å; V520-I523 HydrophobicContact CG2-CD1 3.83Å; V520-I523 HydrophobicContact CG2-CG1 3.94Å; V520-I523 HydrophobicContact CG2-CG2 4.26Å; S521-I523 PolarHBondContact O-N 3Å; I523-L546 HydrophobicContact CD1-CD2 4.49Å; I523-L546 HydrophobicContact CG1-CD2 4.17Å | ||
| 524 | S | 85.6 | Confident | 91.7 | Very high | 96 Ų | 96 | 43.8 Ų | 43.8 | 67% | 0.671 | 23% | 0.226 | S | C | * | . | P | Polyproline II helix | trans | -103.4 | 126.3 | 171 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 525 | I | 90.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 146.6 | 172.7 | 62.9 | 170.1 | 0 | 0 | 0 | 111.1 | F463 L529 K530 L533 W539 L546 | F463-I525 HydrophobicContact CD1-CG2 4.1Å; F463-I525 HydrophobicContact CE1-CG2 4.23Å; I525-L529 HydrophobicContact CB-CD2 4.26Å; I525-L529 HydrophobicContact CG2-CD2 4.13Å; I525-K530 HydrophobicContact CD1-CB 3.82Å; I525-K530 HydrophobicContact CD1-CG 4.2Å; I525-K530 HydrophobicContact CG1-CB 4.36Å; I525-L533 HydrophobicContact CD1-CD1 4.14Å; I525-W539 HydrophobicContact CD1-CH2 4.38Å; I525-W539 HydrophobicContact CD1-CZ3 4.17Å; I525-L546 HydrophobicContact CD1-CD1 3.63Å; I525-L546 HydrophobicContact CG1-CD1 3.96Å; I525-L546 HydrophobicContact CG2-CD1 3.95Å; I525-L546 HydrophobicContact CG2-CD2 4.34Å |
| 526 | C | 90.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 162.8 | 177.3 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | C465 H467 C497 N528 L529 K530 | C465-C526 WeakPolarHBondContact SG-CB 3.46Å; C465-C526 VanDerWaalsContact SG-SG 3.69Å; H467-C526 HydrophobicContact CB-CB 4.49Å; C497-C526 VanDerWaalsContact SG-SG 3.7Å; C526-N528 VanDerWaalsContact C-N 3.28Å; C526-N528 PolarHBondContact O-N 3.39Å; C526-L529 PolarHBondContact O-N 2.84Å; C526-L529 PolarHBondContact SG-N 3.27Å; C526-L529 VanDerWaalsContact SG-N 3.42Å; C526-K530 WeakPolarHBondContact O-CB 3.39Å; C526-K530 PolarHBondContact O-N 3.36Å |
| 527 | S | 89.3 | Confident | 91.5 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | -179.1 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | R531 | S527-R531 PolarHBondContact O-N 3.2Å; S527-R531 VanDerWaalsContact O-N 3.11Å |
| 528 | N | 88.3 | Confident | 91.5 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.1 | -45.8 | 179.3 | -169.5 | 26.5 | 0 | 0 | 0 | 111.8 | S501 C526 K530 R531 I532 | S501-N528 PolarHBondContact OG-ND2 3.4Å; C526-N528 VanDerWaalsContact C-N 3.28Å; C526-N528 PolarHBondContact O-N 3.39Å; N528-K530 VanDerWaalsContact C-N 3.33Å; N528-K530 PolarHBondContact O-N 3.41Å; N528-R531 PolarHBondContact O-N 3.22Å; N528-R531 PolarHBondContact OD1-NH2 2.99Å; N528-I532 WeakPolarHBondContact O-CG1 3.28Å; N528-I532 PolarHBondContact O-N 3.3Å |
| 529 | L | 92.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.2 | -174.8 | 57.6 | 0 | 0 | 0 | 111 | F463 F496 C497 V500 V513 I525 C526 R531 I532 L533 | F463-L529 HydrophobicContact CD1-CD2 4.22Å; F463-L529 HydrophobicContact CE1-CD2 4.34Å; F496-L529 HydrophobicContact CD1-CD1 4.46Å; F496-L529 HydrophobicContact CE1-CD1 4.35Å; C497-L529 HydrophobicContact CB-CB 3.8Å; V500-L529 HydrophobicContact CG2-CD1 3.94Å; V513-L529 HydrophobicContact CG2-CD1 4.36Å; I525-L529 HydrophobicContact CB-CD2 4.26Å; I525-L529 HydrophobicContact CG2-CD2 4.13Å; C526-L529 PolarHBondContact O-N 2.84Å; C526-L529 PolarHBondContact SG-N 3.27Å; C526-L529 VanDerWaalsContact SG-N 3.42Å; L529-R531 PolarHBondContact O-N 2.89Å; L529-I532 PolarHBondContact O-N 3.14Å; L529-I532 VanDerWaalsContact O-N 3.13Å; L529-L533 HydrophobicContact CD1-CD1 4.15Å; L529-L533 HydrophobicContact CD1-CG 4.15Å; L529-L533 HydrophobicContact CD2-CD1 4.42Å; L529-L533 HydrophobicContact CG-CD1 3.79Å; L529-L533 HydrophobicContact CG-CG 4.24Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.42Å |
| 530 | K | 92.6 | Very high | 91.7 | Very high | 94 Ų | 94 | 64 Ų | 64 | 41% | 0.409 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.4 | -48.8 | 175.8 | -176.6 | 171.8 | 178.9 | 177 | 0 | 112.2 | I525 C526 N528 I532 L533 E534 W539 | I525-K530 HydrophobicContact CD1-CB 3.82Å; I525-K530 HydrophobicContact CD1-CG 4.2Å; I525-K530 HydrophobicContact CG1-CB 4.36Å; C526-K530 WeakPolarHBondContact O-CB 3.39Å; C526-K530 PolarHBondContact O-N 3.36Å; N528-K530 VanDerWaalsContact C-N 3.33Å; N528-K530 PolarHBondContact O-N 3.41Å; K530-I532 VanDerWaalsContact C-N 3.25Å; K530-I532 PolarHBondContact O-N 3.03Å; K530-L533 PolarHBondContact O-N 3.41Å; K530-E534 WeakPolarHBondContact CE-OE1 3.4Å; K530-E534 HydrophobicContact CG-CG 4.38Å; K530-E534 WeakPolarHBondContact O-CG 3.26Å; K530-E534 PolarHBondContact O-N 2.99Å; K530-W539 HydrophobicContact CD-CH2 4.31Å; K530-W539 HydrophobicContact CG-CH2 3.77Å; K530-W539 HydrophobicContact CG-CZ2 4.44Å; K530-W539 HydrophobicContact CG-CZ3 4.38Å |
| 531 | R | 92.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 68.3 Ų | 68.3 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -32.6 | 178.8 | -176.1 | -173.7 | 63.1 | 85.6 | 4.6 | 113.5 | S527 N528 L529 | S527-R531 PolarHBondContact O-N 3.2Å; S527-R531 VanDerWaalsContact O-N 3.11Å; N528-R531 PolarHBondContact O-N 3.22Å; N528-R531 PolarHBondContact OD1-NH2 2.99Å; L529-R531 PolarHBondContact O-N 2.89Å |
| 532 | I | 92.3 | Very high | 92 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.4 | -48.8 | 176.6 | -61.2 | 160.5 | 0 | 0 | 0 | 109.2 | C497 V500 S501 A506 A509 N528 L529 K530 E534 R535 | C497-I532 WeakPolarHBondContact O-CD1 3.29Å; V500-I532 HydrophobicContact CG2-CD1 4.15Å; S501-I532 VanDerWaalsContact OG-CD1 3.23Å; S501-I532 WeakPolarHBondContact OG-CD1 3.46Å; A506-I532 HydrophobicContact CB-CG2 4.25Å; A509-I532 HydrophobicContact CB-CG2 3.87Å; N528-I532 WeakPolarHBondContact O-CG1 3.28Å; N528-I532 PolarHBondContact O-N 3.3Å; L529-I532 PolarHBondContact O-N 3.14Å; L529-I532 VanDerWaalsContact O-N 3.13Å; K530-I532 VanDerWaalsContact C-N 3.25Å; K530-I532 PolarHBondContact O-N 3.03Å; I532-E534 PolarHBondContact O-N 3.09Å; I532-R535 WeakPolarHBondContact O-CB 3.38Å; I532-R535 PolarHBondContact O-N 3.26Å; I532-R535 VanDerWaalsContact O-N 3.14Å |
| 533 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -35.2 | -176.4 | -64.6 | 173.6 | 0 | 0 | 0 | 112.9 | A509 V513 I525 L529 K530 R535 T536 W539 I542 | A509-L533 HydrophobicContact CB-CD2 4.13Å; V513-L533 HydrophobicContact CB-CD1 4.37Å; V513-L533 HydrophobicContact CB-CD2 4Å; V513-L533 HydrophobicContact CG1-CD1 3.93Å; V513-L533 HydrophobicContact CG1-CD2 4.41Å; V513-L533 HydrophobicContact CG2-CD1 4.29Å; V513-L533 HydrophobicContact CG2-CD2 3.95Å; I525-L533 HydrophobicContact CD1-CD1 4.14Å; L529-L533 HydrophobicContact CD1-CD1 4.15Å; L529-L533 HydrophobicContact CD1-CG 4.15Å; L529-L533 HydrophobicContact CD2-CD1 4.42Å; L529-L533 HydrophobicContact CG-CD1 3.79Å; L529-L533 HydrophobicContact CG-CG 4.24Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.42Å; K530-L533 PolarHBondContact O-N 3.41Å; L533-R535 PolarHBondContact O-N 3.06Å; L533-T536 WeakPolarHBondContact O-CB 3.38Å; L533-T536 PolarHBondContact O-N 3.44Å; L533-T536 PolarHBondContact O-OG1 3.16Å; L533-W539 HydrophobicContact CB-CE3 3.61Å; L533-W539 HydrophobicContact CB-CZ3 3.84Å; L533-W539 WeakPolarHBondContact O-CB 3.43Å; L533-I542 HydrophobicContact CD1-CG2 4.34Å; L533-I542 HydrophobicContact CD2-CD1 4.15Å |
| 534 | E | 94.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 62.4 Ų | 62.4 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17.7 | 173.8 | -78 | 170.6 | 175.8 | 0 | 0 | 113.8 | K530 I532 W539 | K530-E534 WeakPolarHBondContact CE-OE1 3.4Å; K530-E534 HydrophobicContact CG-CG 4.38Å; K530-E534 WeakPolarHBondContact O-CG 3.26Å; K530-E534 PolarHBondContact O-N 2.99Å; I532-E534 PolarHBondContact O-N 3.09Å; E534-W539 HydrophobicContact CB-CD2 4.45Å; E534-W539 HydrophobicContact CG-CD2 3.95Å; E534-W539 HydrophobicContact CG-CE3 4.38Å; E534-W539 HydrophobicContact CG-CH2 4.16Å; E534-W539 HydrophobicContact CG-CZ2 3.67Å; E534-W539 HydrophobicContact CG-CZ3 4.48Å |
| 535 | R | 93.5 | Very high | 92.9 | Very high | 192 Ų | 192 | 59.1 Ų | 59.1 | 73% | 0.725 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -1.6 | 178.2 | -56.5 | 175.8 | -178.8 | -163.9 | -5.6 | 113.1 | I532 L533 | I532-R535 WeakPolarHBondContact O-CB 3.38Å; I532-R535 PolarHBondContact O-N 3.26Å; I532-R535 VanDerWaalsContact O-N 3.14Å; L533-R535 PolarHBondContact O-N 3.06Å |
| 536 | T | 93.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -100 | 148.2 | -177.3 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | L533 E538 W539 | L533-T536 WeakPolarHBondContact O-CB 3.38Å; L533-T536 PolarHBondContact O-N 3.44Å; L533-T536 PolarHBondContact O-OG1 3.16Å; T536-E538 PolarHBondContact O-N 2.89Å; T536-W539 WeakPolarHBondContact O-CB 3.42Å; T536-W539 PolarHBondContact O-N 3.34Å |
| 537 | P | 94 | Very high | 92.7 | Very high | 120 Ų | 120 | 62.3 Ų | 62.3 | 78% | 0.779 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.8 | -178.6 | 24.4 | -31.4 | 0 | 0 | 0 | 113.1 | W539 | P537-W539 PolarHBondContact O-N 3.49Š|
| 538 | E | 95.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.1 | 179.4 | -57.9 | 82.6 | 178.1 | 0 | 0 | 113.8 | G510 T536 E540 E541 I542 | G510-E538 WeakPolarHBondContact CA-OE2 3.25Å; T536-E538 PolarHBondContact O-N 2.89Å; E538-E540 PolarHBondContact O-N 3.2Å; E538-E541 PolarHBondContact O-N 3.33Å; E538-I542 HydrophobicContact CB-CD1 3.87Å; E538-I542 HydrophobicContact CB-CG1 4.34Å; E538-I542 WeakPolarHBondContact O-CG1 3.31Å; E538-I542 PolarHBondContact O-N 3.15Å |
| 539 | W | 95.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.5 | -45.4 | -172.9 | 176.8 | -118.1 | 0 | 0 | 0 | 114.1 | I525 K530 L533 E534 T536 P537 E541 I542 S543 | I525-W539 HydrophobicContact CD1-CH2 4.38Å; I525-W539 HydrophobicContact CD1-CZ3 4.17Å; K530-W539 HydrophobicContact CD-CH2 4.31Å; K530-W539 HydrophobicContact CG-CH2 3.77Å; K530-W539 HydrophobicContact CG-CZ2 4.44Å; K530-W539 HydrophobicContact CG-CZ3 4.38Å; L533-W539 HydrophobicContact CB-CE3 3.61Å; L533-W539 HydrophobicContact CB-CZ3 3.84Å; L533-W539 WeakPolarHBondContact O-CB 3.43Å; E534-W539 HydrophobicContact CB-CD2 4.45Å; E534-W539 HydrophobicContact CG-CD2 3.95Å; E534-W539 HydrophobicContact CG-CE3 4.38Å; E534-W539 HydrophobicContact CG-CH2 4.16Å; E534-W539 HydrophobicContact CG-CZ2 3.67Å; E534-W539 HydrophobicContact CG-CZ3 4.48Å; T536-W539 WeakPolarHBondContact O-CB 3.42Å; T536-W539 PolarHBondContact O-N 3.34Å; P537-W539 PolarHBondContact O-N 3.49Å; W539-E541 VanDerWaalsContact C-N 3.3Å; W539-E541 PolarHBondContact O-N 3.47Å; W539-I542 HydrophobicContact CE3-CG2 4.36Å; W539-I542 HydrophobicContact CZ3-CG2 4.29Å; W539-I542 PolarHBondContact O-N 3.34Å; W539-S543 WeakPolarHBondContact O-CB 3.42Å; W539-S543 PolarHBondContact O-N 3.4Å |
| 540 | E | 94.4 | Very high | 92.5 | Very high | 148 Ų | 148 | 71 Ų | 71 | 69% | 0.692 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | -177.5 | -68 | -59.9 | 149.9 | 0 | 0 | 111.3 | E538 A544 | E538-E540 PolarHBondContact O-N 3.2Å; E540-A544 WeakPolarHBondContact O-CB 3.06Å; E540-A544 PolarHBondContact O-N 3.26Å |
| 541 | E | 94.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 70.4 Ų | 70.4 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 177.4 | -167.1 | -175.5 | 174.4 | 0 | 0 | 111.5 | R514 E538 W539 S543 A544 V545 | R514-E541 IonicContact CZ-OE1 3.01Å; R514-E541 VanDerWaalsContact CZ-OE1 3.24Å; R514-E541 IonicContact NE-OE1 2.8Å; R514-E541 PolarHBondContact NE-OE1 3.41Å; R514-E541 IonicContact NE-OE2 3.24Å; R514-E541 IonicContact NH2-OE1 3.62Å; R514-E541 PolarHBondContact NH2-OE1 3.1Å; E538-E541 PolarHBondContact O-N 3.33Å; W539-E541 VanDerWaalsContact C-N 3.3Å; W539-E541 PolarHBondContact O-N 3.47Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.13Å; E541-A544 PolarHBondContact O-N 2.97Å; E541-V545 WeakPolarHBondContact O-CG2 3.4Å; E541-V545 PolarHBondContact O-N 2.83Å |
| 542 | I | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61 | -44 | 176.8 | -69.6 | 168.4 | 0 | 0 | 0 | 110.9 | G510 V513 R514 L517 L533 E538 W539 V545 L546 | G510-I542 WeakPolarHBondContact O-CD1 3.45Å; V513-I542 HydrophobicContact CB-CD1 4.4Å; V513-I542 HydrophobicContact CG1-CD1 4.24Å; V513-I542 HydrophobicContact CG1-CG2 4.41Å; R514-I542 HydrophobicContact CB-CD1 4.3Å; R514-I542 HydrophobicContact CB-CG1 4.11Å; L517-I542 HydrophobicContact CD1-CB 4.41Å; L517-I542 HydrophobicContact CD1-CG1 4.24Å; L517-I542 HydrophobicContact CD1-CG2 3.98Å; L533-I542 HydrophobicContact CD1-CG2 4.34Å; L533-I542 HydrophobicContact CD2-CD1 4.15Å; E538-I542 HydrophobicContact CB-CD1 3.87Å; E538-I542 HydrophobicContact CB-CG1 4.34Å; E538-I542 WeakPolarHBondContact O-CG1 3.31Å; E538-I542 PolarHBondContact O-N 3.15Å; W539-I542 HydrophobicContact CE3-CG2 4.36Å; W539-I542 HydrophobicContact CZ3-CG2 4.29Å; W539-I542 PolarHBondContact O-N 3.34Å; I542-V545 PolarHBondContact O-N 3.02Å; I542-L546 HydrophobicContact CG2-CD1 3.74Å; I542-L546 HydrophobicContact CG2-CG 4.38Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.39Å; I542-L546 PolarHBondContact O-N 2.69Å |
| 543 | S | 93.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 77.4 Ų | 77.4 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | W539 E541 L546 G547 | W539-S543 WeakPolarHBondContact O-CB 3.42Å; W539-S543 PolarHBondContact O-N 3.4Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.13Å; S543-L546 PolarHBondContact O-N 3.44Å; S543-G547 PolarHBondContact O-N 3.27Å |
| 544 | A | 92.3 | Very high | 92.4 | Very high | 51 Ų | 51 | 78.3 Ų | 78.3 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E540 E541 L546 G547 E548 | E540-A544 WeakPolarHBondContact O-CB 3.06Å; E540-A544 PolarHBondContact O-N 3.26Å; E541-A544 PolarHBondContact O-N 2.97Å; A544-L546 VanDerWaalsContact C-N 3.3Å; A544-L546 PolarHBondContact O-N 3.04Å; A544-G547 PolarHBondContact O-N 3.06Å; A544-E548 PolarHBondContact O-N 3Å |
| 545 | V | 91.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 76.6 Ų | 76.6 | 16% | 0.158 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 177.6 | 163.1 | 0 | 0 | 0 | 0 | 112.8 | L517 E541 I542 | L517-V545 HydrophobicContact CB-CG1 4.07Å; L517-V545 HydrophobicContact CD1-CB 4.43Å; L517-V545 HydrophobicContact CD1-CG1 3.87Å; L517-V545 HydrophobicContact CD2-CG1 4.19Å; L517-V545 HydrophobicContact CG-CG1 4.27Å; E541-V545 WeakPolarHBondContact O-CG2 3.4Å; E541-V545 PolarHBondContact O-N 2.83Å; I542-V545 PolarHBondContact O-N 3.02Å |
| 546 | L | 91 | Very high | 92.3 | Very high | 37 Ų | 37 | 70 Ų | 70 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -81.3 | -25.5 | 179.6 | -70 | 172.3 | 0 | 0 | 0 | 113.3 | L517 I523 I525 I542 S543 A544 | L517-L546 HydrophobicContact CD2-CD2 3.88Å; I523-L546 HydrophobicContact CD1-CD2 4.49Å; I523-L546 HydrophobicContact CG1-CD2 4.17Å; I525-L546 HydrophobicContact CD1-CD1 3.63Å; I525-L546 HydrophobicContact CG1-CD1 3.96Å; I525-L546 HydrophobicContact CG2-CD1 3.95Å; I525-L546 HydrophobicContact CG2-CD2 4.34Å; I542-L546 HydrophobicContact CG2-CD1 3.74Å; I542-L546 HydrophobicContact CG2-CG 4.38Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.39Å; I542-L546 PolarHBondContact O-N 2.69Å; S543-L546 PolarHBondContact O-N 3.44Å; A544-L546 VanDerWaalsContact C-N 3.3Å; A544-L546 PolarHBondContact O-N 3.04Å |
| 547 | G | 86.9 | Confident | 92.3 | Very high | 68 Ų | 68 | 70.3 Ų | 70.3 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -84.2 | -23.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S543 A544 | S543-G547 PolarHBondContact O-N 3.27Å; A544-G547 PolarHBondContact O-N 3.06Å |
| 548 | E | 86.1 | Confident | 92.2 | Very high | 135 Ų | 135 | 66.2 Ų | 66.2 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -103.4 | 149.5 | -177.9 | -65.7 | -173 | 173 | 0 | 0 | 113.2 | A544 R550 | A544-E548 PolarHBondContact O-N 3Å; E548-R550 PolarHBondContact O-N 2.89Å |
| 549 | P | 87.8 | Confident | 92 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 76% | 0.76 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 131.6 | 169.5 | -16.2 | 28.7 | 0 | 0 | 0 | 110.6 | ||
| 550 | R | 90.6 | Very high | 91.8 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 16% | 0.158 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 140.3 | 179.1 | -61.3 | -67.2 | -76 | 162.8 | -5.2 | 110.8 | L517 E548 H554 L555 | L517-R550 PolarHBondContact O-NH2 3.1Å; E548-R550 PolarHBondContact O-N 2.89Å; R550-H554 PolarHBondContact NE-CD2 2.93Å; R550-H554 PolarHBondContact NH2-CE1 3.26Å; R550-H554 PolarHBondContact NH2-NE2 3.4Å; R550-L555 HydrophobicContact CB-CD2 4.04Å; R550-L555 HydrophobicContact CB-CG 4.2Å |
| 551 | P | 92.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 63.4 Ų | 63.4 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 141.8 | 178.9 | -25.6 | 33.4 | 0 | 0 | 0 | 112.3 | Q553 H554 L555 | P551-Q553 PolarHBondContact O-N 3.47Å; P551-H554 HydrophobicContact CB-CB 4.31Å; P551-H554 WeakPolarHBondContact O-CA 3.3Å; P551-H554 WeakPolarHBondContact O-CB 3.39Å; P551-H554 PolarHBondContact O-N 2.89Å; P551-L555 PolarHBondContact O-N 2.86Å; P551-L555 VanDerWaalsContact O-N 3.1Å |
| 552 | L | 93.1 | Very high | 91.2 | Very high | 136 Ų | 136 | 62.1 Ų | 62.1 | 71% | 0.712 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56.2 | -39.6 | 177 | -178.5 | 62.9 | 0 | 0 | 0 | 111.3 | H554 L555 C556 | L552-H554 VanDerWaalsContact C-N 3.31Å; L552-H554 PolarHBondContact O-N 2.81Å; L552-L555 PolarHBondContact O-N 3.15Å; L552-C556 WeakPolarHBondContact O-CB 3.46Å; L552-C556 PolarHBondContact O-N 3.11Å; L552-C556 PolarHBondContact O-SG 3.12Å |
| 553 | Q | 92.4 | Very high | 90.9 | Very high | 131 Ų | 131 | 72.8 Ų | 72.8 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | 174.4 | -176.4 | 178.1 | 15 | 0 | 0 | 111.8 | P551 R557 Y587 | P551-Q553 PolarHBondContact O-N 3.47Å; Q553-R557 PolarHBondContact O-N 3.01Å; Q553-Y587 HydrophobicContact CG-CE2 3.58Å; Q553-Y587 PolarHBondContact O-OH 3.03Å |
| 554 | H | 91.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 72 Ų | 72 | 8% | 0.083 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 175.8 | 175.3 | 65.5 | 0 | 0 | 0 | 111.7 | D518 V520 R550 P551 L552 C556 R557 L558 | D518-H554 PolarHBondContact O-CE1 3.31Å; D518-H554 VanDerWaalsContact O-CE1 3.25Å; V520-H554 PolarHBondContact O-NE2 3.44Å; R550-H554 PolarHBondContact NE-CD2 2.93Å; R550-H554 PolarHBondContact NH2-CE1 3.26Å; R550-H554 PolarHBondContact NH2-NE2 3.4Å; P551-H554 HydrophobicContact CB-CB 4.31Å; P551-H554 WeakPolarHBondContact O-CA 3.3Å; P551-H554 WeakPolarHBondContact O-CB 3.39Å; P551-H554 PolarHBondContact O-N 2.89Å; L552-H554 VanDerWaalsContact C-N 3.31Å; L552-H554 PolarHBondContact O-N 2.81Å; H554-C556 VanDerWaalsContact C-N 3.35Å; H554-C556 PolarHBondContact O-N 3.42Å; H554-R557 VanDerWaalsContact O-CB 3.31Å; H554-R557 WeakPolarHBondContact O-CB 3.27Å; H554-R557 PolarHBondContact O-N 2.94Å; H554-R557 VanDerWaalsContact O-N 3.11Å; H554-L558 WeakPolarHBondContact NE2-CD1 3.45Å; H554-L558 PolarHBondContact O-N 3.46Å |
| 555 | L | 93.2 | Very high | 90.2 | Very high | 63 Ų | 63 | 74.1 Ų | 74.1 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | -179.7 | -63.4 | 176.6 | 0 | 0 | 0 | 112.1 | R550 P551 L552 R557 L558 V559 | R550-L555 HydrophobicContact CB-CD2 4.04Å; R550-L555 HydrophobicContact CB-CG 4.2Å; P551-L555 PolarHBondContact O-N 2.86Å; P551-L555 VanDerWaalsContact O-N 3.1Å; L552-L555 PolarHBondContact O-N 3.15Å; L555-R557 VanDerWaalsContact C-N 3.31Å; L555-R557 PolarHBondContact O-N 3.46Å; L555-L558 PolarHBondContact O-N 2.95Å; L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.4Å |
| 556 | C | 93.7 | Very high | 89.7 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 173.9 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | L552 H554 L558 V559 I560 | L552-C556 WeakPolarHBondContact O-CB 3.46Å; L552-C556 PolarHBondContact O-N 3.11Å; L552-C556 PolarHBondContact O-SG 3.12Å; H554-C556 VanDerWaalsContact C-N 3.35Å; H554-C556 PolarHBondContact O-N 3.42Å; C556-L558 PolarHBondContact O-N 2.99Å; C556-V559 PolarHBondContact O-N 3.48Å; C556-I560 WeakPolarHBondContact O-CB 3.48Å; C556-I560 WeakPolarHBondContact O-CD1 3.27Å; C556-I560 WeakPolarHBondContact O-CG1 3.45Å; C556-I560 PolarHBondContact O-N 3.4Å |
| 557 | R | 93.3 | Very high | 89.1 | Confident | 19 Ų | 19 | 82.1 Ų | 82.1 | 7% | 0.072 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 178.4 | -169.1 | -178.5 | -73 | 165.5 | -3.3 | 110.5 | Q553 H554 L555 I560 R561 Y587 Y590 D593 | Q553-R557 PolarHBondContact O-N 3.01Å; H554-R557 VanDerWaalsContact O-CB 3.31Å; H554-R557 WeakPolarHBondContact O-CB 3.27Å; H554-R557 PolarHBondContact O-N 2.94Å; H554-R557 VanDerWaalsContact O-N 3.11Å; L555-R557 VanDerWaalsContact C-N 3.31Å; L555-R557 PolarHBondContact O-N 3.46Å; R557-I560 PolarHBondContact O-N 2.89Å; R557-R561 WeakPolarHBondContact O-CB 3.2Å; R557-R561 VanDerWaalsContact O-CG 3.3Å; R557-R561 WeakPolarHBondContact O-CG 3.06Å; R557-R561 PolarHBondContact O-N 3.49Å; R557-Y587 VanDerWaalsContact CA-OH 3.31Å; R557-Y587 WeakPolarHBondContact CA-OH 3.39Å; R557-Y587 HydrophobicContact CB-CE1 4.01Å; R557-Y587 HydrophobicContact CB-CE2 4.17Å; R557-Y587 VanDerWaalsContact CB-OH 3.29Å; R557-Y587 WeakPolarHBondContact CB-OH 3.25Å; R557-Y587 HydrophobicContact CG-CE1 4.14Å; R557-Y587 HydrophobicContact CG-CE2 4.42Å; R557-Y587 PolarHBondContact N-OH 3.07Å; R557-Y587 PolarHBondContact NE-O 3.08Å; R557-Y587 VanDerWaalsContact NH2-CD2 3.34Å; R557-Y590 VanDerWaalsContact CD-CZ 3.42Å; R557-D593 IonicContact CZ-OD2 3.17Å; R557-D593 IonicContact NH1-OD2 2.73Å; R557-D593 PolarHBondContact NH1-OD2 3.16Å; R557-D593 IonicContact NH2-OD1 3.93Å; R557-D593 IonicContact NH2-OD2 2.72Å; R557-D593 PolarHBondContact NH2-OD2 2.87Å |
| 558 | L | 91.9 | Very high | 89 | Confident | 34 Ų | 34 | 80.8 Ų | 80.8 | 18% | 0.178 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | -177.9 | -62.3 | -178.6 | 0 | 0 | 0 | 112.1 | V520 H554 L555 C556 G562 | V520-L558 WeakPolarHBondContact O-CD1 3.46Å; H554-L558 WeakPolarHBondContact NE2-CD1 3.45Å; H554-L558 PolarHBondContact O-N 3.46Å; L555-L558 PolarHBondContact O-N 2.95Å; C556-L558 PolarHBondContact O-N 2.99Å; L558-G562 PolarHBondContact O-N 3.42Å |
| 559 | V | 91.9 | Very high | 88.8 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 58% | 0.582 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L555 C556 G562 R563 | L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.4Å; C556-V559 PolarHBondContact O-N 3.48Å; V559-G562 PolarHBondContact O-N 3.39Å; V559-R563 WeakPolarHBondContact O-CG 3.38Å; V559-R563 PolarHBondContact O-N 3Å |
| 560 | I | 91.2 | Very high | 88.7 | Confident | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 178.6 | -64.7 | 163.5 | 0 | 0 | 0 | 109.6 | C556 R557 G562 R563 M564 L588 | C556-I560 WeakPolarHBondContact O-CB 3.48Å; C556-I560 WeakPolarHBondContact O-CD1 3.27Å; C556-I560 WeakPolarHBondContact O-CG1 3.45Å; C556-I560 PolarHBondContact O-N 3.4Å; R557-I560 PolarHBondContact O-N 2.89Å; I560-G562 VanDerWaalsContact C-N 3.29Å; I560-G562 PolarHBondContact O-N 3.25Å; I560-R563 WeakPolarHBondContact O-CB 3.26Å; I560-R563 PolarHBondContact O-N 3.5Å; I560-M564 HydrophobicContact CG2-SD 4.25Å; I560-M564 WeakPolarHBondContact O-CG 3.35Å; I560-M564 PolarHBondContact O-N 3.49Å; I560-L588 HydrophobicContact CB-CD2 3.84Å; I560-L588 HydrophobicContact CD1-CD2 4.4Å; I560-L588 HydrophobicContact CG2-CD1 3.91Å; I560-L588 HydrophobicContact CG2-CD2 3.53Å; I560-L588 HydrophobicContact CG2-CG 4.38Å |
| 561 | R | 90.8 | Very high | 88.3 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -40.2 | 178.9 | -72.8 | 175.4 | 57.9 | 78.1 | 5.9 | 112.5 | L453 N454 R557 R563 M564 L588 | L453-R561 PolarHBondContact O-NH2 3.12Å; N454-R561 VanDerWaalsContact C-NH2 3.33Å; N454-R561 PolarHBondContact O-NH2 3.18Å; R557-R561 WeakPolarHBondContact O-CB 3.2Å; R557-R561 VanDerWaalsContact O-CG 3.3Å; R557-R561 WeakPolarHBondContact O-CG 3.06Å; R557-R561 PolarHBondContact O-N 3.49Å; R561-R563 PolarHBondContact O-N 2.95Å; R561-M564 PolarHBondContact O-N 2.88Å; R561-M564 VanDerWaalsContact O-N 3.08Å; R561-L588 HydrophobicContact CG-CD2 3.99Å; R561-L588 PolarHBondContact NH1-O 2.98Å |
| 562 | G | 85.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L558 V559 I560 | L558-G562 PolarHBondContact O-N 3.42Å; V559-G562 PolarHBondContact O-N 3.39Å; I560-G562 VanDerWaalsContact C-N 3.29Å; I560-G562 PolarHBondContact O-N 3.25Å |
| 563 | R | 87.6 | Confident | 87.2 | Confident | 223 Ų | 223 | 72.3 Ų | 72.3 | 84% | 0.842 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -8.9 | 174.1 | -63.1 | -67.7 | -174 | 178.6 | 0.6 | 113.1 | V559 I560 R561 | V559-R563 WeakPolarHBondContact O-CG 3.38Å; V559-R563 PolarHBondContact O-N 3Å; I560-R563 WeakPolarHBondContact O-CB 3.26Å; I560-R563 PolarHBondContact O-N 3.5Å; R561-R563 PolarHBondContact O-N 2.95Å |
| 564 | M | 87.1 | Confident | 86.8 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 15% | 0.148 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -82.4 | 154.2 | 180 | -67.8 | 179.6 | 70.3 | 0 | 0 | 111.4 | I560 R561 L569 M575 F580 L588 | I560-M564 HydrophobicContact CG2-SD 4.25Å; I560-M564 WeakPolarHBondContact O-CG 3.35Å; I560-M564 PolarHBondContact O-N 3.49Å; R561-M564 PolarHBondContact O-N 2.88Å; R561-M564 VanDerWaalsContact O-N 3.08Å; M564-L569 HydrophobicContact CB-CD1 4.09Å; M564-L569 HydrophobicContact CB-CD2 4.29Å; M564-L569 HydrophobicContact CB-CG 4.04Å; M564-L569 HydrophobicContact CE-CD2 3.68Å; M564-L569 HydrophobicContact CE-CG 4.28Å; M564-L569 HydrophobicContact SD-CD2 3.75Å; M564-M575 HydrophobicContact CE-CE 3.94Å; M564-M575 HydrophobicContact CE-SD 3.62Å; M564-F580 HydrophobicContact CE-CE2 3.99Å; M564-L588 HydrophobicContact SD-CD1 3.91Å |
| 565 | N | 84.4 | Confident | 86.4 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | trans | -71.9 | 129.8 | 169.3 | -174.5 | -24.2 | 0 | 0 | 0 | 109.1 | R567 T568 L569 | N565-R567 PolarHBondContact O-N 3.42Å; N565-R567 PolarHBondContact OD1-N 3.36Å; N565-T568 WeakPolarHBondContact O-CB 3.36Å; N565-T568 PolarHBondContact O-N 3.19Å; N565-L569 PolarHBondContact O-N 3.2Å; N565-L569 VanDerWaalsContact O-N 3.08Å | ||
| 566 | V | 80.9 | Confident | 86 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.7 | -35.1 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | L569 N570 | V566-L569 WeakPolarHBondContact O-CB 3.5Å; V566-L569 PolarHBondContact O-N 2.86Å; V566-N570 WeakPolarHBondContact CG1-ND2 3.41Å; V566-N570 WeakPolarHBondContact O-CB 3.35Å; V566-N570 VanDerWaalsContact O-CG 3.26Å; V566-N570 PolarHBondContact O-N 3.18Å; V566-N570 PolarHBondContact O-ND2 3.25Å |
| 567 | R | 78.8 | Confident | 85.6 | Confident | 159 Ų | 159 | 72.1 Ų | 72.1 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 174.2 | -69.7 | -172.3 | 179.5 | -174.6 | -3.6 | 111.9 | N565 L569 N570 D571 | N565-R567 PolarHBondContact O-N 3.42Å; N565-R567 PolarHBondContact OD1-N 3.36Å; R567-L569 PolarHBondContact O-N 3.22Å; R567-N570 PolarHBondContact O-N 3.32Å; R567-N570 VanDerWaalsContact O-N 3.1Å; R567-D571 WeakPolarHBondContact O-CB 3.49Å; R567-D571 PolarHBondContact O-N 2.88Å |
| 568 | T | 83.9 | Confident | 85.1 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63 | -29.9 | 176.5 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | N565 A574 M575 | N565-T568 WeakPolarHBondContact O-CB 3.36Å; N565-T568 PolarHBondContact O-N 3.19Å; T568-A574 HydrophobicContact CG2-CB 4.32Å; T568-M575 WeakPolarHBondContact O-CB 3.46Å |
| 569 | L | 82.9 | Confident | 84.8 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.6 | -31.5 | 174.7 | -73 | 171.4 | 0 | 0 | 0 | 113 | M564 N565 V566 R567 | M564-L569 HydrophobicContact CB-CD1 4.09Å; M564-L569 HydrophobicContact CB-CD2 4.29Å; M564-L569 HydrophobicContact CB-CG 4.04Å; M564-L569 HydrophobicContact CE-CD2 3.68Å; M564-L569 HydrophobicContact CE-CG 4.28Å; M564-L569 HydrophobicContact SD-CD2 3.75Å; N565-L569 PolarHBondContact O-N 3.2Å; N565-L569 VanDerWaalsContact O-N 3.08Å; V566-L569 WeakPolarHBondContact O-CB 3.5Å; V566-L569 PolarHBondContact O-N 2.86Å; R567-L569 PolarHBondContact O-N 3.22Å |
| 570 | N | 84.3 | Confident | 84.5 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 9% | 0.086 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -97.8 | -15.9 | -172.4 | -68.6 | -18.6 | 0 | 0 | 0 | 114.1 | L417 S455 V566 R567 | L417-N570 HydrophobicContact CB-CB 4.08Å; L417-N570 WeakPolarHBondContact O-CB 3.46Å; S455-N570 WeakPolarHBondContact CA-OD1 3.35Å; S455-N570 WeakPolarHBondContact CB-OD1 3.25Å; S455-N570 PolarHBondContact OG-OD1 3.39Å; V566-N570 WeakPolarHBondContact CG1-ND2 3.41Å; V566-N570 WeakPolarHBondContact O-CB 3.35Å; V566-N570 VanDerWaalsContact O-CG 3.26Å; V566-N570 PolarHBondContact O-N 3.18Å; V566-N570 PolarHBondContact O-ND2 3.25Å; R567-N570 PolarHBondContact O-N 3.32Å; R567-N570 VanDerWaalsContact O-N 3.1Å |
| 571 | D | 82.1 | Confident | 84.4 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | trans | -99.4 | 111 | 174.9 | 175.5 | -1.8 | 0 | 0 | 0 | 109.3 | R567 E573 A574 M575 | R567-D571 WeakPolarHBondContact O-CB 3.49Å; R567-D571 PolarHBondContact O-N 2.88Å; D571-E573 VanDerWaalsContact C-N 3.28Å; D571-E573 PolarHBondContact O-N 2.95Å; D571-E573 PolarHBondContact OD1-N 2.89Å; D571-A574 HydrophobicContact CB-CB 3.77Å; D571-A574 PolarHBondContact O-N 2.96Å; D571-A574 PolarHBondContact OD1-N 3.24Å; D571-A574 WeakPolarHBondContact OD2-CB 3.37Å; D571-M575 PolarHBondContact O-N 3.2Å | ||
| 572 | P | 79.1 | Confident | 84.2 | Confident | 76 Ų | 76 | 80.4 Ų | 80.4 | 49% | 0.494 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.9 | -39.6 | 179.3 | -24.5 | 34.3 | 0 | 0 | 0 | 113.2 | M575 E576 | P572-M575 PolarHBondContact O-N 3.36Å; P572-E576 WeakPolarHBondContact O-CB 3.36Å; P572-E576 WeakPolarHBondContact O-CG 3.5Å; P572-E576 PolarHBondContact O-N 3.49Å |
| 573 | E | 83.4 | Confident | 84.3 | Confident | 157 Ų | 157 | 88 Ų | 88 | 73% | 0.734 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.7 | -42.1 | -179 | -61.3 | -170.9 | 170.6 | 0 | 0 | 110.4 | D571 M575 E576 A577 | D571-E573 VanDerWaalsContact C-N 3.28Å; D571-E573 PolarHBondContact O-N 2.95Å; D571-E573 PolarHBondContact OD1-N 2.89Å; E573-M575 VanDerWaalsContact C-N 3.33Å; E573-M575 PolarHBondContact O-N 2.99Å; E573-E576 PolarHBondContact O-N 3.43Å; E573-A577 VanDerWaalsContact O-CB 3.25Å; E573-A577 WeakPolarHBondContact O-CB 3.46Å; E573-A577 PolarHBondContact O-N 2.88Å |
| 574 | A | 84.6 | Confident | 84.3 | Confident | 31 Ų | 31 | 80 Ų | 80 | 26% | 0.256 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T568 D571 A578 | T568-A574 HydrophobicContact CG2-CB 4.32Å; D571-A574 HydrophobicContact CB-CB 3.77Å; D571-A574 PolarHBondContact O-N 2.96Å; D571-A574 PolarHBondContact OD1-N 3.24Å; D571-A574 WeakPolarHBondContact OD2-CB 3.37Å; A574-A578 PolarHBondContact O-N 2.67Å; A574-A578 VanDerWaalsContact O-N 3.14Å |
| 575 | M | 84.4 | Confident | 84.3 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.069 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 177.4 | -170.2 | 64.3 | -173.4 | 0 | 0 | 111.9 | M564 T568 D571 P572 E573 A578 I585 L588 | M564-M575 HydrophobicContact CE-CE 3.94Å; M564-M575 HydrophobicContact CE-SD 3.62Å; T568-M575 WeakPolarHBondContact O-CB 3.46Å; D571-M575 PolarHBondContact O-N 3.2Å; P572-M575 PolarHBondContact O-N 3.36Å; E573-M575 VanDerWaalsContact C-N 3.33Å; E573-M575 PolarHBondContact O-N 2.99Å; M575-A578 VanDerWaalsContact O-CB 3.22Å; M575-A578 WeakPolarHBondContact O-CB 3.43Å; M575-A578 PolarHBondContact O-N 3.02Å; M575-I585 HydrophobicContact CE-CB 4.35Å; M575-I585 HydrophobicContact CE-CG1 4.37Å; M575-I585 HydrophobicContact CE-CG2 4.04Å; M575-I585 HydrophobicContact CG-CG2 4.02Å; M575-L588 HydrophobicContact CE-CB 3.85Å; M575-L588 HydrophobicContact CE-CD1 4.17Å |
| 576 | E | 82.9 | Confident | 84.3 | Confident | 131 Ų | 131 | 75.6 Ų | 75.6 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.9 | -34.1 | 175.6 | -73.7 | -175.6 | -178.9 | 0 | 0 | 112.5 | P572 E573 A578 | P572-E576 WeakPolarHBondContact O-CB 3.36Å; P572-E576 WeakPolarHBondContact O-CG 3.5Å; P572-E576 PolarHBondContact O-N 3.49Å; E573-E576 PolarHBondContact O-N 3.43Å; E576-A578 PolarHBondContact O-N 3.26Å |
| 577 | A | 85.3 | Confident | 84.7 | Confident | 85 Ų | 85 | 73.4 Ų | 73.4 | 70% | 0.702 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -75.5 | -10.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E573 | E573-A577 VanDerWaalsContact O-CB 3.25Å; E573-A577 WeakPolarHBondContact O-CB 3.46Å; E573-A577 PolarHBondContact O-N 2.88Å |
| 578 | A | 83.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 12% | 0.116 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -63.2 | 147.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A574 M575 E576 F580 | A574-A578 PolarHBondContact O-N 2.67Å; A574-A578 VanDerWaalsContact O-N 3.14Å; M575-A578 VanDerWaalsContact O-CB 3.22Å; M575-A578 WeakPolarHBondContact O-CB 3.43Å; M575-A578 PolarHBondContact O-N 3.02Å; E576-A578 PolarHBondContact O-N 3.26Å; A578-F580 HydrophobicContact CB-CD2 3.62Å; A578-F580 HydrophobicContact CB-CE2 4.05Å; A578-F580 PolarHBondContact O-N 3.42Å |
| 579 | P | 85.9 | Confident | 85.1 | Confident | 127 Ų | 127 | 65.4 Ų | 65.4 | 83% | 0.825 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -76.9 | 42.9 | -176.2 | 34.2 | -37.8 | 0 | 0 | 0 | 112.6 | ||
| 580 | F | 86.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -114.2 | 144.5 | -177.7 | -62.2 | -50.9 | 0 | 0 | 0 | 111.1 | M564 A578 L584 I585 | M564-F580 HydrophobicContact CE-CE2 3.99Å; A578-F580 HydrophobicContact CB-CD2 3.62Å; A578-F580 HydrophobicContact CB-CE2 4.05Å; A578-F580 PolarHBondContact O-N 3.42Å; F580-L584 HydrophobicContact CB-CB 4.47Å; F580-L584 HydrophobicContact CB-CD2 4.09Å; F580-L584 HydrophobicContact CB-CG 4.48Å; F580-L584 HydrophobicContact CD1-CD2 3.68Å; F580-L584 HydrophobicContact CE1-CD2 4.42Å; F580-L584 HydrophobicContact CG-CD2 4.06Å; F580-I585 HydrophobicContact CB-CD1 4.4Å; F580-I585 HydrophobicContact CB-CG1 3.84Å; F580-I585 WeakPolarHBondContact O-CD1 3.44Å |
| 581 | P | 89.3 | Confident | 84.5 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | trans | -60.8 | 148.8 | 172.1 | -23.2 | 33.4 | 0 | 0 | 0 | 112 | R583 L584 I585 | P581-R583 PolarHBondContact O-N 3.43Å; P581-R583 VanDerWaalsContact O-N 3.08Å; P581-L584 WeakPolarHBondContact O-CA 3.44Å; P581-L584 WeakPolarHBondContact O-CB 3.23Å; P581-L584 PolarHBondContact O-N 3.3Å; P581-I585 PolarHBondContact O-N 3.37Å | ||
| 582 | P | 85.8 | Confident | 83.4 | Confident | 114 Ų | 114 | 71.3 Ų | 71.3 | 74% | 0.74 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.5 | -35.2 | -178.4 | -28.7 | 34.7 | 0 | 0 | 0 | 114.4 | I585 G586 | P582-I585 PolarHBondContact O-N 3.06Å; P582-G586 PolarHBondContact O-N 3.27Å |
| 583 | R | 87.6 | Confident | 82.2 | Confident | 228 Ų | 228 | 72.3 Ų | 72.3 | 86% | 0.86 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 175.2 | -71.1 | -172.9 | 174.8 | -176.9 | -1.2 | 112.8 | P581 Y587 | P581-R583 PolarHBondContact O-N 3.43Å; P581-R583 VanDerWaalsContact O-N 3.08Å; R583-Y587 VanDerWaalsContact O-CB 3.31Å; R583-Y587 WeakPolarHBondContact O-CB 3.49Å; R583-Y587 PolarHBondContact O-N 2.78Å |
| 584 | L | 88.2 | Confident | 80.7 | Confident | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.1 | -39 | 177.4 | -175.6 | 63.6 | 0 | 0 | 0 | 110.2 | F580 P581 Y587 L588 | F580-L584 HydrophobicContact CB-CB 4.47Å; F580-L584 HydrophobicContact CB-CD2 4.09Å; F580-L584 HydrophobicContact CB-CG 4.48Å; F580-L584 HydrophobicContact CD1-CD2 3.68Å; F580-L584 HydrophobicContact CE1-CD2 4.42Å; F580-L584 HydrophobicContact CG-CD2 4.06Å; P581-L584 WeakPolarHBondContact O-CA 3.44Å; P581-L584 WeakPolarHBondContact O-CB 3.23Å; P581-L584 PolarHBondContact O-N 3.3Å; L584-Y587 HydrophobicContact CD1-CD1 3.87Å; L584-Y587 HydrophobicContact CD1-CE1 4.33Å; L584-Y587 PolarHBondContact O-N 2.95Å; L584-L588 HydrophobicContact CD1-CD1 4.29Å; L584-L588 HydrophobicContact CD1-CG 4.29Å; L584-L588 HydrophobicContact CG-CD1 3.94Å; L584-L588 HydrophobicContact CG-CG 4.35Å; L584-L588 WeakPolarHBondContact O-CB 3.34Å; L584-L588 VanDerWaalsContact O-CG 3.24Å; L584-L588 WeakPolarHBondContact O-CG 3.5Å; L584-L588 PolarHBondContact O-N 2.99Å |
| 585 | I | 86.3 | Confident | 78.5 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.1 | -54.2 | 173.1 | -65.4 | 172.5 | 0 | 0 | 0 | 110.3 | M575 F580 P581 P582 Y587 L588 S589 | M575-I585 HydrophobicContact CE-CB 4.35Å; M575-I585 HydrophobicContact CE-CG1 4.37Å; M575-I585 HydrophobicContact CE-CG2 4.04Å; M575-I585 HydrophobicContact CG-CG2 4.02Å; F580-I585 HydrophobicContact CB-CD1 4.4Å; F580-I585 HydrophobicContact CB-CG1 3.84Å; F580-I585 WeakPolarHBondContact O-CD1 3.44Å; P581-I585 PolarHBondContact O-N 3.37Å; P582-I585 PolarHBondContact O-N 3.06Å; I585-Y587 VanDerWaalsContact C-N 3.26Å; I585-Y587 PolarHBondContact O-N 2.73Å; I585-L588 PolarHBondContact O-N 3.34Å; I585-L588 VanDerWaalsContact O-N 3.09Å; I585-S589 WeakPolarHBondContact O-CB 3.13Å; I585-S589 PolarHBondContact O-N 3.16Å; I585-S589 PolarHBondContact O-OG 3.29Å; I585-S589 VanDerWaalsContact O-OG 3.13Å |
| 586 | G | 85.7 | Confident | 76.3 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.6 | -32 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P582 S589 Y590 R591 A592 | P582-G586 PolarHBondContact O-N 3.27Å; G586-S589 WeakPolarHBondContact CA-OG 3.31Å; G586-S589 PolarHBondContact O-OG 3.19Å; G586-Y590 PolarHBondContact O-N 3.12Å; G586-R591 PolarHBondContact O-N 3.38Å; G586-A592 PolarHBondContact O-N 2.67Å |
| 587 | Y | 89.4 | Confident | 74 | Confident | 27 Ų | 27 | 77.3 Ų | 77.3 | 11% | 0.106 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.2 | -36.5 | 174 | 162.1 | -96.5 | 0 | 0 | 0 | 113.1 | Q553 R557 R583 L584 I585 | Q553-Y587 HydrophobicContact CG-CE2 3.58Å; Q553-Y587 PolarHBondContact O-OH 3.03Å; R557-Y587 VanDerWaalsContact CA-OH 3.31Å; R557-Y587 WeakPolarHBondContact CA-OH 3.39Å; R557-Y587 HydrophobicContact CB-CE1 4.01Å; R557-Y587 HydrophobicContact CB-CE2 4.17Å; R557-Y587 VanDerWaalsContact CB-OH 3.29Å; R557-Y587 WeakPolarHBondContact CB-OH 3.25Å; R557-Y587 HydrophobicContact CG-CE1 4.14Å; R557-Y587 HydrophobicContact CG-CE2 4.42Å; R557-Y587 PolarHBondContact N-OH 3.07Å; R557-Y587 PolarHBondContact NE-O 3.08Å; R557-Y587 VanDerWaalsContact NH2-CD2 3.34Å; R583-Y587 VanDerWaalsContact O-CB 3.31Å; R583-Y587 WeakPolarHBondContact O-CB 3.49Å; R583-Y587 PolarHBondContact O-N 2.78Å; L584-Y587 HydrophobicContact CD1-CD1 3.87Å; L584-Y587 HydrophobicContact CD1-CE1 4.33Å; L584-Y587 PolarHBondContact O-N 2.95Å; I585-Y587 VanDerWaalsContact C-N 3.26Å; I585-Y587 PolarHBondContact O-N 2.73Å |
| 588 | L | 87.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -78.4 | -28.7 | 178.7 | -69.1 | 172.1 | 0 | 0 | 0 | 112.4 | I560 R561 M564 M575 L584 I585 Y590 | I560-L588 HydrophobicContact CB-CD2 3.84Å; I560-L588 HydrophobicContact CD1-CD2 4.4Å; I560-L588 HydrophobicContact CG2-CD1 3.91Å; I560-L588 HydrophobicContact CG2-CD2 3.53Å; I560-L588 HydrophobicContact CG2-CG 4.38Å; R561-L588 HydrophobicContact CG-CD2 3.99Å; R561-L588 PolarHBondContact NH1-O 2.98Å; M564-L588 HydrophobicContact SD-CD1 3.91Å; M575-L588 HydrophobicContact CE-CB 3.85Å; M575-L588 HydrophobicContact CE-CD1 4.17Å; L584-L588 HydrophobicContact CD1-CD1 4.29Å; L584-L588 HydrophobicContact CD1-CG 4.29Å; L584-L588 HydrophobicContact CG-CD1 3.94Å; L584-L588 HydrophobicContact CG-CG 4.35Å; L584-L588 WeakPolarHBondContact O-CB 3.34Å; L584-L588 VanDerWaalsContact O-CG 3.24Å; L584-L588 WeakPolarHBondContact O-CG 3.5Å; L584-L588 PolarHBondContact O-N 2.99Å; I585-L588 PolarHBondContact O-N 3.34Å; I585-L588 VanDerWaalsContact O-N 3.09Å; L588-Y590 VanDerWaalsContact C-N 3.3Å |
| 589 | S | 82.8 | Confident | 69.6 | Low | 30 Ų | 30 | 81.6 Ų | 81.6 | 21% | 0.21 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.6 | 177.4 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | I585 G586 R591 | I585-S589 WeakPolarHBondContact O-CB 3.13Å; I585-S589 PolarHBondContact O-N 3.16Å; I585-S589 PolarHBondContact O-OG 3.29Å; I585-S589 VanDerWaalsContact O-OG 3.13Å; G586-S589 WeakPolarHBondContact CA-OG 3.31Å; G586-S589 PolarHBondContact O-OG 3.19Å; S589-R591 PolarHBondContact O-N 3.09Å; S589-R591 WeakPolarHBondContact OG-CD 3.43Å; S589-R591 VanDerWaalsContact OG-CG 3.25Å; S589-R591 WeakPolarHBondContact OG-CG 2.94Å |
| 590 | Y | 83.1 | Confident | 68.8 | Low | 19 Ų | 19 | 79.3 Ų | 79.3 | 8% | 0.075 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.2 | -175.6 | -66.8 | -102.3 | 0 | 0 | 0 | 115.1 | N454 D518 Y519 R557 G586 L588 A592 D593 | N454-Y590 WeakPolarHBondContact OD1-CD2 3.36Å; D518-Y590 PolarHBondContact O-OH 3.47Å; Y519-Y590 HydrophobicContact CD1-CE1 4.38Å; Y519-Y590 HydrophobicContact CD1-CE2 4.11Å; Y519-Y590 AromaticContact CD1-CZ 3.71Å; Y519-Y590 WeakPolarHBondContact CD1-OH 3.28Å; Y519-Y590 HydrophobicContact CE1-CD1 4.41Å; Y519-Y590 HydrophobicContact CE1-CD2 4.13Å; Y519-Y590 AromaticContact CE1-CE1 3.86Å; Y519-Y590 HydrophobicContact CE1-CE1 3.86Å; Y519-Y590 AromaticContact CE1-CE2 3.55Å; Y519-Y590 HydrophobicContact CE1-CE2 3.55Å; Y519-Y590 AromaticContact CE1-CZ 3.39Å; R557-Y590 VanDerWaalsContact CD-CZ 3.42Å; G586-Y590 PolarHBondContact O-N 3.12Å; L588-Y590 VanDerWaalsContact C-N 3.3Å; Y590-A592 PolarHBondContact O-N 3.32Å; Y590-D593 PolarHBondContact O-N 2.77Å |
| 591 | R | 71.9 | Confident | 67.9 | Low | 132 Ų | 132 | 79.7 Ų | 79.7 | 50% | 0.498 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -64.9 | -26.6 | 177 | -76.1 | 176.8 | -176.6 | 176 | 2.8 | 112.8 | G586 S589 D593 | G586-R591 PolarHBondContact O-N 3.38Å; S589-R591 PolarHBondContact O-N 3.09Å; S589-R591 WeakPolarHBondContact OG-CD 3.43Å; S589-R591 VanDerWaalsContact OG-CG 3.25Å; S589-R591 WeakPolarHBondContact OG-CG 2.94Å; R591-D593 PolarHBondContact O-N 3.19Å |
| 592 | A | 58.3 | Low | 66.7 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -70.8 | -19.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G586 Y590 | G586-A592 PolarHBondContact O-N 2.67Å; Y590-A592 PolarHBondContact O-N 3.32Å |
| 593 | D | 53.6 | Low | 65.6 | Low | 98 Ų | 98 | 77.6 Ų | 77.6 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -109.1 | 6.3 | -176.6 | -57.5 | -34.8 | 0 | 0 | 0 | 112 | R557 Y590 R591 P595 | R557-D593 IonicContact CZ-OD2 3.17Å; R557-D593 IonicContact NH1-OD2 2.73Å; R557-D593 PolarHBondContact NH1-OD2 3.16Å; R557-D593 IonicContact NH2-OD1 3.93Å; R557-D593 IonicContact NH2-OD2 2.72Å; R557-D593 PolarHBondContact NH2-OD2 2.87Å; Y590-D593 PolarHBondContact O-N 2.77Å; R591-D593 PolarHBondContact O-N 3.19Å; D593-P595 WeakPolarHBondContact O-CD 3.16Å |
| 594 | D | 51.5 | Low | 64.2 | Low | 46 Ų | 46 | 68.2 Ų | 68.2 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | trans | -93.3 | 112.2 | -179.6 | -177.8 | 9.6 | 0 | 0 | 0 | 111.2 | Y596 G597 | D594-Y596 PolarHBondContact O-N 3.1Å; D594-Y596 PolarHBondContact OD1-N 3.01Å; D594-G597 PolarHBondContact OD2-N 2.95Å | ||
| 595 | P | 39.2 | Very low | 62.6 | Low | 114 Ų | 114 | 69.1 Ų | 69.1 | 74% | 0.74 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.5 | 176.3 | 26.1 | -30.3 | 0 | 0 | 0 | 114.2 | D593 | D593-P595 WeakPolarHBondContact O-CD 3.16Š|
| 596 | Y | 38.3 | Very low | 60.9 | Low | 206 Ų | 206 | 72.7 Ų | 72.7 | 81% | 0.808 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 6.5 | -176.9 | -65.4 | -76.9 | 0 | 0 | 0 | 115.6 | D594 G598 | D594-Y596 PolarHBondContact O-N 3.1Å; D594-Y596 PolarHBondContact OD1-N 3.01Å; Y596-G598 VanDerWaalsContact C-N 3.33Å; Y596-G598 PolarHBondContact O-N 2.56Å |
| 597 | G | 34.3 | Very low | 59 | Low | 72 Ų | 72 | 77.2 Ų | 77.2 | 74% | 0.742 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 51.6 | 34.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118 | D594 | D594-G597 PolarHBondContact OD2-N 2.95Š|
| 598 | G | 40.2 | Very low | 56.5 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | trans | -159.9 | 7.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | Y596 | Y596-G598 VanDerWaalsContact C-N 3.33Å; Y596-G598 PolarHBondContact O-N 2.56Å | ||
| 599 | L | 36.5 | Very low | 53.6 | Low | 120 Ų | 120 | 88.7 Ų | 88.7 | 63% | 0.628 | 52% | 0.524 | S | S | * | . | trans | -93.3 | 0 | -178.1 | -83.5 | 164.6 | 0 | 0 | 0 | 115.5 | K414 | K414-L599 PolarHBondContact NZ-OXT 3.31Š|
Retrieved 599 of 599 residues in 187.2 ms
(Link to these results)