| 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 | 43 | Very low | 35.7 | Very low | 254 Ų | 254 | 136.3 Ų | 136.3 | 100% | 1.251 | 84% | 0.842 | S | S | * | * | 0 | 98.8 | 0 | -66.6 | 171.6 | 175.9 | 0 | 0 | 106.2 | |||||
| 2 | G | 35.5 | Very low | 35.9 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | cis | 109.4 | 95.6 | 21.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | G | 33.7 | Very low | 36 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 84% | 0.841 | S | S | * | * | trans | 70 | 161.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 4 | H | 35.8 | Very low | 36.2 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 71% | 0.708 | 84% | 0.838 | S | S | * | * | cis | -171.8 | 126.8 | 6.3 | -129.7 | -114.7 | 0 | 0 | 0 | 109.6 | ||||
| 5 | Y | 36.1 | Very low | 36.5 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 71% | 0.71 | 84% | 0.839 | S | S | * | * | trans | 70.4 | 151.2 | 132.6 | -67.2 | -118.5 | 0 | 0 | 0 | 124.9 | ||||
| 6 | M | 39.7 | Very low | 36.4 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | 88.8 | 129.5 | 161.9 | -51.7 | -64.7 | -175.4 | 0 | 0 | 115.5 | ||||
| 7 | G | 34.5 | Very low | 36.5 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | cis | 164.2 | 150.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 8 | G | 33.4 | Very low | 36.9 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | 163.3 | 77 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | G10 | G8-G10 PolarHBondContact O-N 2.77Š| ||
| 9 | Y | 29.6 | Very low | 37.5 | Very low | 252 Ų | 252 | 132.9 Ų | 132.9 | 99% | 0.988 | 83% | 0.827 | S | S | * | * | trans | -69.1 | 101.8 | 162.4 | -96.9 | -97.2 | 0 | 0 | 0 | 108.5 | ||||
| 10 | G | 35 | Very low | 38 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -110.1 | 131.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G8 | G8-G10 PolarHBondContact O-N 2.77Š| ||
| 11 | A | 36.7 | Very low | 38.3 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -44.1 | 127.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q13 | A11-Q13 PolarHBondContact O-N 2.86Å; A11-Q13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | S | 37.9 | Very low | 38.3 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -64.3 | 106.8 | 165.6 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | Q | 37.1 | Very low | 38.8 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 147.9 | 166 | -71.9 | 169.6 | -47.9 | 0 | 0 | 109.9 | A11 A15 | A11-Q13 PolarHBondContact O-N 2.86Å; A11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-A15 PolarHBondContact O-N 3.42Å |
| 14 | P | 39.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125 | 174 | 8.4 | 1.7 | 0 | 0 | 0 | 108.3 | G16 | P14-G16 PolarHBondContact O-N 3.45Å; P14-G16 VanDerWaalsContact O-N 3.15Å |
| 15 | A | 40 | Very low | 39.5 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 120.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q13 | Q13-A15 PolarHBondContact O-N 3.42Š|
| 16 | G | 35.6 | Very low | 39.9 | Very low | 60 Ų | 60 | 132.1 Ų | 132.1 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 153 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | P14 D18 | P14-G16 PolarHBondContact O-N 3.45Å; P14-G16 VanDerWaalsContact O-N 3.15Å; G16-D18 PolarHBondContact O-N 3.47Å |
| 17 | D | 38.1 | Very low | 40 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | -52 | 104 | 169.5 | -64.2 | -57.1 | 0 | 0 | 0 | 110.7 | P19 | D17-P19 WeakPolarHBondContact O-CD 3.37Š| ||
| 18 | D | 43 | Very low | 40.6 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 108.5 | 165.8 | -78.7 | -36.6 | 0 | 0 | 0 | 108.8 | G16 E20 | G16-D18 PolarHBondContact O-N 3.47Å; D18-E20 PolarHBondContact O-N 3.39Å; D18-E20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | P | 49.1 | Very low | 41.2 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 6.1 | -173.6 | -10.2 | 28.6 | 0 | 0 | 0 | 113.9 | D17 | D17-P19 WeakPolarHBondContact O-CD 3.37Š|
| 20 | E | 47.5 | Very low | 42.1 | Very low | 182 Ų | 182 | 120.3 Ų | 120.3 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 13.9 | -159.6 | -135.2 | 177.2 | -177 | 0 | 0 | 114.9 | D18 P22 | D18-E20 PolarHBondContact O-N 3.39Å; D18-E20 VanDerWaalsContact O-N 3.09Å; E20-P22 VanDerWaalsContact C-CD 3.49Å; E20-P22 WeakPolarHBondContact O-CD 3.35Å |
| 21 | N | 43.4 | Very low | 42.8 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | trans | -109.3 | 83.4 | 172.8 | -159.5 | -13 | 0 | 0 | 0 | 112.7 | K23 Y24 | N21-K23 PolarHBondContact O-N 3.48Å; N21-K23 WeakPolarHBondContact OD1-CB 3.5Å; N21-K23 PolarHBondContact OD1-N 3.1Å; N21-Y24 WeakPolarHBondContact ND2-CD2 3.35Å | ||
| 22 | P | 43.8 | Very low | 43.6 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -67.2 | -2 | -177.9 | 26.7 | -33.9 | 0 | 0 | 0 | 114 | E20 | E20-P22 VanDerWaalsContact C-CD 3.49Å; E20-P22 WeakPolarHBondContact O-CD 3.35Å |
| 23 | K | 44.7 | Very low | 44.2 | Very low | 186 Ų | 186 | 117.5 Ų | 117.5 | 81% | 0.809 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -81.9 | -12.9 | -175 | -122.3 | 176.7 | -178.3 | -179.9 | 0 | 114.5 | N21 | N21-K23 PolarHBondContact O-N 3.48Å; N21-K23 WeakPolarHBondContact OD1-CB 3.5Å; N21-K23 PolarHBondContact OD1-N 3.1Å |
| 24 | Y | 47.4 | Very low | 44.8 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 59% | 0.592 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -114 | 8.5 | -172.6 | -70.7 | -78 | 0 | 0 | 0 | 115.2 | N21 | N21-Y24 WeakPolarHBondContact ND2-CD2 3.35Š|
| 25 | S | 37.8 | Very low | 45.1 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 51% | 0.51 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -115.3 | -17.9 | -163.7 | -166.6 | 0 | 0 | 0 | 0 | 118.5 | ||
| 26 | Y | 45 | Very low | 45.6 | Very low | 180 Ų | 180 | 113.3 Ų | 113.3 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -133.7 | 23.5 | -160.7 | -95.8 | -89.6 | 0 | 0 | 0 | 120 | ||
| 27 | G | 41.2 | Very low | 46.4 | Very low | 51 Ų | 51 | 115.3 Ų | 115.3 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -97.2 | -32.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | I33 | G27-I33 WeakPolarHBondContact O-CD1 3.37Š|
| 28 | F | 46.9 | Very low | 47.1 | Very low | 128 Ų | 128 | 112.1 Ų | 112.1 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -127.1 | -4.2 | -172.6 | -107.9 | -90.3 | 0 | 0 | 0 | 114 | E30 I33 | F28-E30 VanDerWaalsContact C-N 3.26Å; F28-I33 HydrophobicContact CD1-CG2 4.48Å; F28-I33 HydrophobicContact CE1-CG2 4.39Å |
| 29 | S | 46.8 | Very low | 47.5 | Very low | 82 Ų | 82 | 113.5 Ų | 113.5 | 57% | 0.573 | 58% | 0.579 | S | S | * | * | trans | -70.4 | -24.4 | 173 | 163.1 | 0 | 0 | 0 | 0 | 112.3 | T31 | S29-T31 PolarHBondContact O-N 3.12Š| ||
| 30 | E | 47.2 | Very low | 47.6 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 42% | 0.416 | 57% | 0.572 | S | S | . | * | trans | -57.2 | 108.4 | 175.7 | -84.8 | -73.2 | 152.8 | 0 | 0 | 111.2 | F28 S32 I33 R34 | F28-E30 VanDerWaalsContact C-N 3.26Å; E30-S32 PolarHBondContact O-N 3Å; E30-S32 PolarHBondContact OE2-OG 3.29Å; E30-I33 HydrophobicContact CB-CB 4.25Å; E30-I33 HydrophobicContact CB-CD1 3.86Å; E30-I33 HydrophobicContact CB-CG1 3.87Å; E30-I33 HydrophobicContact CG-CD1 4.42Å; E30-I33 PolarHBondContact O-N 3.02Å; E30-R34 PolarHBondContact O-N 3.26Å | ||
| 31 | T | 49.7 | Very low | 47.8 | Very low | 85 Ų | 85 | 107.7 Ų | 107.7 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -50.8 | -32.1 | 175.2 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | S29 R34 Q35 | S29-T31 PolarHBondContact O-N 3.12Å; T31-R34 PolarHBondContact O-N 3.5Å; T31-Q35 HydrophobicContact CG2-CG 4.36Å; T31-Q35 WeakPolarHBondContact O-CB 3.48Å; T31-Q35 VanDerWaalsContact O-CG 3.25Å; T31-Q35 WeakPolarHBondContact O-CG 3.32Å; T31-Q35 PolarHBondContact O-N 3.06Å |
| 32 | S | 54.6 | Low | 48.1 | Very low | 66 Ų | 66 | 107.5 Ų | 107.5 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.2 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | E30 G36 | E30-S32 PolarHBondContact O-N 3Å; E30-S32 PolarHBondContact OE2-OG 3.29Å; S32-G36 PolarHBondContact O-N 3.22Å |
| 33 | I | 50.5 | Low | 48.5 | Very low | 76 Ų | 76 | 106.8 Ų | 106.8 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -41.4 | 178.8 | -63.9 | 178.6 | 0 | 0 | 0 | 110.2 | G27 F28 E30 G36 F37 | G27-I33 WeakPolarHBondContact O-CD1 3.37Å; F28-I33 HydrophobicContact CD1-CG2 4.48Å; F28-I33 HydrophobicContact CE1-CG2 4.39Å; E30-I33 HydrophobicContact CB-CB 4.25Å; E30-I33 HydrophobicContact CB-CD1 3.86Å; E30-I33 HydrophobicContact CB-CG1 3.87Å; E30-I33 HydrophobicContact CG-CD1 4.42Å; E30-I33 PolarHBondContact O-N 3.02Å; I33-G36 PolarHBondContact O-N 3.26Å; I33-F37 PolarHBondContact O-N 3.4Å |
| 34 | R | 49.3 | Very low | 48.7 | Very low | 159 Ų | 159 | 102.5 Ų | 102.5 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 176.1 | -66 | 178.9 | 69.4 | -157.1 | 3 | 111.7 | E30 T31 G36 F37 I38 | E30-R34 PolarHBondContact O-N 3.26Å; T31-R34 PolarHBondContact O-N 3.5Å; R34-G36 VanDerWaalsContact C-N 3.35Å; R34-F37 PolarHBondContact O-N 2.86Å; R34-I38 WeakPolarHBondContact O-CD1 3.42Å; R34-I38 VanDerWaalsContact O-CG1 3.27Å; R34-I38 WeakPolarHBondContact O-CG1 3.02Å; R34-I38 PolarHBondContact O-N 3.49Å |
| 35 | Q | 46.4 | Very low | 48.9 | Very low | 125 Ų | 125 | 95.9 Ų | 95.9 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 177 | -72.6 | 178.8 | -5 | 0 | 0 | 112.1 | T31 I38 R39 | T31-Q35 HydrophobicContact CG2-CG 4.36Å; T31-Q35 WeakPolarHBondContact O-CB 3.48Å; T31-Q35 VanDerWaalsContact O-CG 3.25Å; T31-Q35 WeakPolarHBondContact O-CG 3.32Å; T31-Q35 PolarHBondContact O-N 3.06Å; Q35-I38 PolarHBondContact O-N 3.33Å; Q35-R39 WeakPolarHBondContact O-CB 3.32Å; Q35-R39 PolarHBondContact O-N 2.77Å |
| 36 | G | 49.5 | Very low | 49.3 | Very low | 31 Ų | 31 | 99.5 Ų | 99.5 | 32% | 0.32 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S32 I33 R34 K40 | S32-G36 PolarHBondContact O-N 3.22Å; I33-G36 PolarHBondContact O-N 3.26Å; R34-G36 VanDerWaalsContact C-N 3.35Å; G36-K40 WeakPolarHBondContact O-CB 3.37Å; G36-K40 WeakPolarHBondContact O-CG 3.42Å; G36-K40 PolarHBondContact O-N 3.02Å |
| 37 | F | 51.7 | Low | 49.7 | Very low | 103 Ų | 103 | 93.2 Ų | 93.2 | 45% | 0.452 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -51.2 | 173.9 | -178.3 | -99.9 | 0 | 0 | 0 | 111.2 | I33 R34 R39 K40 V41 | I33-F37 PolarHBondContact O-N 3.4Å; R34-F37 PolarHBondContact O-N 2.86Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.3Å; F37-K40 PolarHBondContact O-N 3.31Å; F37-V41 HydrophobicContact CD1-CG2 4.22Å; F37-V41 HydrophobicContact CE1-CG2 3.88Å; F37-V41 HydrophobicContact CE2-CG2 4.25Å; F37-V41 HydrophobicContact CZ-CG2 3.89Å; F37-V41 WeakPolarHBondContact O-CG2 3.34Å; F37-V41 PolarHBondContact O-N 2.96Å |
| 38 | I | 54.1 | Low | 50.1 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 178.6 | -66.4 | 165.6 | 0 | 0 | 0 | 110.7 | R34 Q35 K40 V41 L42 | R34-I38 WeakPolarHBondContact O-CD1 3.42Å; R34-I38 VanDerWaalsContact O-CG1 3.27Å; R34-I38 WeakPolarHBondContact O-CG1 3.02Å; R34-I38 PolarHBondContact O-N 3.49Å; Q35-I38 PolarHBondContact O-N 3.33Å; I38-K40 PolarHBondContact O-N 3.5Å; I38-V41 PolarHBondContact O-N 3.09Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.37Å; I38-L42 VanDerWaalsContact O-CG 3.27Å; I38-L42 WeakPolarHBondContact O-CG 2.79Å; I38-L42 PolarHBondContact O-N 3.09Å |
| 39 | R | 50.2 | Low | 50.4 | Low | 178 Ų | 178 | 92.7 Ų | 92.7 | 67% | 0.672 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63 | -41.7 | 179.1 | -175.7 | 177.6 | 179.9 | -170.1 | 0.7 | 112.3 | Q35 F37 L42 I43 | Q35-R39 WeakPolarHBondContact O-CB 3.32Å; Q35-R39 PolarHBondContact O-N 2.77Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.3Å; R39-L42 PolarHBondContact O-N 3.37Å; R39-I43 HydrophobicContact CG-CD1 3.7Å; R39-I43 HydrophobicContact CG-CG1 4.34Å; R39-I43 WeakPolarHBondContact O-CB 3.23Å; R39-I43 VanDerWaalsContact O-CG1 3.27Å; R39-I43 WeakPolarHBondContact O-CG1 3.45Å; R39-I43 PolarHBondContact O-N 3.43Å |
| 40 | K | 51.5 | Low | 50.5 | Low | 160 Ų | 160 | 90 Ų | 90 | 70% | 0.696 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 176.8 | -79 | -179.4 | -179 | -178.5 | 0 | 111.5 | G36 F37 I38 L42 F44 | G36-K40 WeakPolarHBondContact O-CB 3.37Å; G36-K40 WeakPolarHBondContact O-CG 3.42Å; G36-K40 PolarHBondContact O-N 3.02Å; F37-K40 PolarHBondContact O-N 3.31Å; I38-K40 PolarHBondContact O-N 3.5Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-F44 VanDerWaalsContact O-CB 3.24Å; K40-F44 WeakPolarHBondContact O-CB 3.26Å; K40-F44 PolarHBondContact O-N 2.77Å |
| 41 | V | 51.3 | Low | 50.4 | Low | 30 Ų | 30 | 89.8 Ų | 89.8 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110 | F37 I38 S45 V96 N97 | F37-V41 HydrophobicContact CD1-CG2 4.22Å; F37-V41 HydrophobicContact CE1-CG2 3.88Å; F37-V41 HydrophobicContact CE2-CG2 4.25Å; F37-V41 HydrophobicContact CZ-CG2 3.89Å; F37-V41 WeakPolarHBondContact O-CG2 3.34Å; F37-V41 PolarHBondContact O-N 2.96Å; I38-V41 PolarHBondContact O-N 3.09Å; V41-S45 VanDerWaalsContact O-CB 3.3Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 3.47Å; V41-V96 HydrophobicContact CG1-CG1 4.49Å; V41-N97 PolarHBondContact O-OD1 3.48Å |
| 42 | L | 49.5 | Very low | 50.5 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 178.9 | -67.8 | 171.7 | 0 | 0 | 0 | 112.9 | I38 R39 K40 F44 S45 F46 | I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.37Å; I38-L42 VanDerWaalsContact O-CG 3.27Å; I38-L42 WeakPolarHBondContact O-CG 2.79Å; I38-L42 PolarHBondContact O-N 3.09Å; R39-L42 PolarHBondContact O-N 3.37Å; K40-L42 VanDerWaalsContact C-N 3.34Å; L42-F44 VanDerWaalsContact C-N 3.32Å; L42-F44 PolarHBondContact O-N 3.39Å; L42-S45 WeakPolarHBondContact O-CB 3.45Å; L42-S45 PolarHBondContact O-N 2.86Å; L42-F46 HydrophobicContact CD2-CE2 4.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 2.92Å |
| 43 | I | 53 | Low | 50.2 | Low | 105 Ų | 105 | 93.7 Ų | 93.7 | 54% | 0.538 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | -178.7 | -68.5 | 170.2 | 0 | 0 | 0 | 111.3 | R39 S45 | R39-I43 HydrophobicContact CG-CD1 3.7Å; R39-I43 HydrophobicContact CG-CG1 4.34Å; R39-I43 WeakPolarHBondContact O-CB 3.23Å; R39-I43 VanDerWaalsContact O-CG1 3.27Å; R39-I43 WeakPolarHBondContact O-CG1 3.45Å; R39-I43 PolarHBondContact O-N 3.43Å; I43-S45 VanDerWaalsContact C-N 3.34Å |
| 44 | F | 49.1 | Very low | 50.2 | Low | 96 Ų | 96 | 90.7 Ų | 90.7 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.1 | -29.6 | -179.1 | -151 | -88.7 | 0 | 0 | 0 | 112.3 | K40 L42 T50 N97 | K40-F44 VanDerWaalsContact O-CB 3.24Å; K40-F44 WeakPolarHBondContact O-CB 3.26Å; K40-F44 PolarHBondContact O-N 2.77Å; L42-F44 VanDerWaalsContact C-N 3.32Å; L42-F44 PolarHBondContact O-N 3.39Å; F44-T50 HydrophobicContact CD1-CG2 4.19Å; F44-T50 HydrophobicContact CE1-CG2 3.77Å; F44-N97 HydrophobicContact CD1-CB 3.98Å |
| 45 | S | 51.2 | Low | 50.3 | Low | 12 Ų | 12 | 90.9 Ų | 90.9 | 8% | 0.084 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.3 | -66.3 | 166.2 | -139.2 | 0 | 0 | 0 | 0 | 108.9 | V41 L42 I43 S47 N97 E101 | V41-S45 VanDerWaalsContact O-CB 3.3Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 3.47Å; L42-S45 WeakPolarHBondContact O-CB 3.45Å; L42-S45 PolarHBondContact O-N 2.86Å; I43-S45 VanDerWaalsContact C-N 3.34Å; S45-S47 PolarHBondContact O-N 3.26Å; S45-N97 PolarHBondContact N-OD1 3.27Å; S45-E101 WeakPolarHBondContact CA-OE1 3.32Å; S45-E101 WeakPolarHBondContact CB-OE1 3.1Å; S45-E101 PolarHBondContact OG-OE1 3.43Å |
| 46 | F | 46.4 | Very low | 50.8 | Low | 149 Ų | 149 | 91.4 Ų | 91.4 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -66.6 | 3.3 | -169 | -68.5 | -72.9 | 0 | 0 | 0 | 118.1 | L42 T48 | L42-F46 HydrophobicContact CD2-CE2 4.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 2.92Å; F46-T48 PolarHBondContact O-N 3.41Å |
| 47 | S | 54 | Low | 51.1 | Low | 48 Ų | 48 | 91.5 Ų | 91.5 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | trans | -75.6 | 109.1 | 176.6 | 157.3 | 0 | 0 | 0 | 0 | 111.5 | S45 G49 T50 | S45-S47 PolarHBondContact O-N 3.26Å; S47-G49 PolarHBondContact O-N 3.31Å; S47-G49 VanDerWaalsContact O-N 3.1Å; S47-T50 VanDerWaalsContact CB-OG1 3.32Å; S47-T50 WeakPolarHBondContact CB-OG1 3.16Å; S47-T50 WeakPolarHBondContact O-CB 3.1Å; S47-T50 PolarHBondContact O-N 2.91Å; S47-T50 PolarHBondContact O-OG1 3.47Å; S47-T50 PolarHBondContact OG-N 3.46Å; S47-T50 PolarHBondContact OG-OG1 3.29Å | ||
| 48 | T | 49.5 | Very low | 51.5 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 69% | 0.693 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -54.8 | -29.2 | 175.2 | -45.5 | 0 | 0 | 0 | 0 | 113.2 | F46 T50 K51 | F46-T48 PolarHBondContact O-N 3.41Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T48-K51 PolarHBondContact O-N 3.22Å |
| 49 | G | 52.2 | Low | 51.7 | Low | 54 Ų | 54 | 93 Ų | 93 | 56% | 0.557 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.4 | -31 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S47 K51 | S47-G49 PolarHBondContact O-N 3.31Å; S47-G49 VanDerWaalsContact O-N 3.1Å; G49-K51 VanDerWaalsContact C-N 3.34Å |
| 50 | T | 50 | Low | 52 | Low | 27 Ų | 27 | 87 Ų | 87 | 17% | 0.166 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 179.6 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | F44 S47 T48 L52 F53 V54 | F44-T50 HydrophobicContact CD1-CG2 4.19Å; F44-T50 HydrophobicContact CE1-CG2 3.77Å; S47-T50 VanDerWaalsContact CB-OG1 3.32Å; S47-T50 WeakPolarHBondContact CB-OG1 3.16Å; S47-T50 WeakPolarHBondContact O-CB 3.1Å; S47-T50 PolarHBondContact O-N 2.91Å; S47-T50 PolarHBondContact O-OG1 3.47Å; S47-T50 PolarHBondContact OG-N 3.46Å; S47-T50 PolarHBondContact OG-OG1 3.29Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3Å; T50-F53 PolarHBondContact O-N 3.05Å; T50-V54 HydrophobicContact CG2-CG2 4.27Å; T50-V54 WeakPolarHBondContact O-CB 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 3.29Å |
| 51 | K | 43.7 | Very low | 52.2 | Low | 83 Ų | 83 | 81 Ų | 81 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | -179.7 | -59.3 | -175.5 | -179.8 | -168.7 | 0 | 113 | T48 G49 R55 E101 | T48-K51 PolarHBondContact O-N 3.22Å; G49-K51 VanDerWaalsContact C-N 3.34Å; K51-R55 PolarHBondContact O-N 2.96Å; K51-E101 HydrophobicContact CD-CB 4.38Å; K51-E101 WeakPolarHBondContact CE-OE2 3.34Å; K51-E101 HydrophobicContact CG-CB 4.08Å; K51-E101 IonicContact NZ-OE2 3.7Å |
| 52 | L | 52.1 | Low | 52.7 | Low | 117 Ų | 117 | 82 Ų | 82 | 61% | 0.613 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -73.2 | -41.9 | -176.6 | -155.3 | 79.4 | 0 | 0 | 0 | 111.5 | T50 V54 R55 Q56 | T50-L52 PolarHBondContact O-N 3Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-V54 PolarHBondContact O-N 3.41Å; L52-R55 PolarHBondContact O-N 2.62Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 2.92Å |
| 53 | F | 49.9 | Very low | 53.2 | Low | 117 Ų | 117 | 82.4 Ų | 82.4 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 179.6 | -174.8 | -98.3 | 0 | 0 | 0 | 112.1 | T50 Q56 N57 L60 | T50-F53 PolarHBondContact O-N 3.05Å; F53-Q56 PolarHBondContact O-N 3.13Å; F53-N57 WeakPolarHBondContact O-CB 3.06Å; F53-N57 PolarHBondContact O-N 3.44Å; F53-N57 PolarHBondContact O-ND2 3.03Å; F53-L60 HydrophobicContact CE1-CD1 3.88Å |
| 54 | V | 50.4 | Low | 53.3 | Low | 13 Ų | 13 | 77.8 Ų | 77.8 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 178.2 | 156.5 | 0 | 0 | 0 | 0 | 111.9 | T50 L52 Q56 N57 H98 | T50-V54 HydrophobicContact CG2-CG2 4.27Å; T50-V54 WeakPolarHBondContact O-CB 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 3.29Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-V54 PolarHBondContact O-N 3.41Å; V54-Q56 PolarHBondContact O-N 3.12Å; V54-N57 CarbonylContact O-C 3.55Å; V54-N57 PolarHBondContact O-N 3.45Å; V54-H98 HydrophobicContact CG1-CB 4.44Å; V54-H98 WeakPolarHBondContact CG1-CE1 3.44Å; V54-H98 WeakPolarHBondContact CG1-ND1 3.46Å |
| 55 | R | 51.3 | Low | 53.7 | Low | 163 Ų | 163 | 74.1 Ų | 74.1 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.5 | -32.4 | 178.9 | -158.2 | 174 | -176.5 | -179.9 | 1.8 | 112.6 | K51 L52 T102 | K51-R55 PolarHBondContact O-N 2.96Å; L52-R55 PolarHBondContact O-N 2.62Å; R55-T102 HydrophobicContact CB-CG2 3.61Å; R55-T102 HydrophobicContact CG-CG2 3.67Å |
| 56 | Q | 56.1 | Low | 54.2 | Low | 136 Ų | 136 | 75.2 Ų | 75.2 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -77.2 | -21.5 | 177.2 | -71 | 177.6 | -3 | 0 | 0 | 113 | L52 F53 V54 | L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 2.92Å; F53-Q56 PolarHBondContact O-N 3.13Å; V54-Q56 PolarHBondContact O-N 3.12Å |
| 57 | N | 56.2 | Low | 54.8 | Low | 32 Ų | 32 | 71.5 Ų | 71.5 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | trans | -124.2 | 58.2 | -171.1 | -66 | -74 | 0 | 0 | 0 | 112.1 | F53 V54 W59 L60 | F53-N57 WeakPolarHBondContact O-CB 3.06Å; F53-N57 PolarHBondContact O-N 3.44Å; F53-N57 PolarHBondContact O-ND2 3.03Å; V54-N57 CarbonylContact O-C 3.55Å; V54-N57 PolarHBondContact O-N 3.45Å; N57-W59 PolarHBondContact O-N 3.2Å; N57-W59 VanDerWaalsContact O-N 3.12Å; N57-W59 PolarHBondContact OD1-NE1 3.15Å; N57-L60 HydrophobicContact CB-CD1 3.58Å; N57-L60 HydrophobicContact CB-CG 3.98Å; N57-L60 WeakPolarHBondContact O-CB 3.43Å; N57-L60 PolarHBondContact O-N 3.01Å | ||
| 58 | L | 60.8 | Low | 55 | Low | 87 Ų | 87 | 71.2 Ų | 71.2 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25 | 174.9 | -137.6 | 80.1 | 0 | 0 | 0 | 112.7 | L60 H61 | L58-L60 PolarHBondContact O-N 3.15Å; L58-H61 WeakPolarHBondContact O-CB 3.01Å; L58-H61 PolarHBondContact O-N 3.37Å |
| 59 | W | 58.2 | Low | 55.6 | Low | 144 Ų | 144 | 67.2 Ų | 67.2 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.6 | -28.3 | 175.4 | 68.1 | -94.2 | 0 | 0 | 0 | 112.8 | N57 H61 W62 M63 | N57-W59 PolarHBondContact O-N 3.2Å; N57-W59 VanDerWaalsContact O-N 3.12Å; N57-W59 PolarHBondContact OD1-NE1 3.15Å; W59-H61 VanDerWaalsContact C-N 3.29Å; W59-H61 PolarHBondContact O-N 2.98Å; W59-W62 PolarHBondContact O-N 3.46Å; W59-M63 HydrophobicContact CE3-CB 4.39Å; W59-M63 HydrophobicContact CE3-CG 3.6Å; W59-M63 HydrophobicContact CZ3-CG 3.89Å; W59-M63 WeakPolarHBondContact O-CG 3.32Å; W59-M63 PolarHBondContact O-N 3.25Å |
| 60 | L | 56 | Low | 55.9 | Low | 50 Ų | 50 | 67.5 Ų | 67.5 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 177.1 | -72.4 | 169.7 | 0 | 0 | 0 | 111.8 | F53 N57 L58 M63 A64 | F53-L60 HydrophobicContact CE1-CD1 3.88Å; N57-L60 HydrophobicContact CB-CD1 3.58Å; N57-L60 HydrophobicContact CB-CG 3.98Å; N57-L60 WeakPolarHBondContact O-CB 3.43Å; N57-L60 PolarHBondContact O-N 3.01Å; L58-L60 PolarHBondContact O-N 3.15Å; L60-M63 PolarHBondContact O-N 3.34Å; L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.28Å |
| 61 | H | 55 | Low | 56.1 | Low | 35 Ų | 35 | 67.5 Ų | 67.5 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 174.8 | 178.5 | 71.6 | 0 | 0 | 0 | 111.2 | L58 W59 A64 L65 | L58-H61 WeakPolarHBondContact O-CB 3.01Å; L58-H61 PolarHBondContact O-N 3.37Å; W59-H61 VanDerWaalsContact C-N 3.29Å; W59-H61 PolarHBondContact O-N 2.98Å; H61-A64 PolarHBondContact O-N 2.82Å; H61-L65 PolarHBondContact O-N 2.94Å |
| 62 | W | 62.3 | Low | 56.8 | Low | 50 Ų | 50 | 65.8 Ų | 65.8 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.6 | -34.6 | -179.8 | -67.2 | 105.6 | 0 | 0 | 0 | 112.7 | W59 L65 A66 G152 Y155 F156 | W59-W62 PolarHBondContact O-N 3.46Å; W62-L65 HydrophobicContact CE3-CD2 3.55Å; W62-L65 HydrophobicContact CZ3-CD2 3.54Å; W62-L65 WeakPolarHBondContact O-CB 3.45Å; W62-L65 PolarHBondContact O-N 2.83Å; W62-A66 WeakPolarHBondContact O-CB 3.41Å; W62-A66 PolarHBondContact O-N 3.37Å; W62-G152 WeakPolarHBondContact CH2-O 3.49Å; W62-Y155 HydrophobicContact CZ2-CD1 4.34Å; W62-F156 AromaticContact CD1-CZ 3.65Å; W62-F156 HydrophobicContact CD2-CE2 4.32Å; W62-F156 HydrophobicContact CD2-CZ 4.39Å; W62-F156 AromaticContact CE2-CZ 3.96Å; W62-F156 HydrophobicContact CG-CE2 4.48Å; W62-F156 HydrophobicContact CG-CZ 4.2Å; W62-F156 HydrophobicContact CZ2-CE2 4.45Å; W62-F156 AromaticContact NE1-CZ 3.46Å |
| 63 | M | 58.8 | Low | 57.3 | Low | 100 Ų | 100 | 64 Ų | 64 | 49% | 0.493 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 171.4 | -76.5 | -66 | 95.1 | 0 | 0 | 111.8 | W59 L60 L65 A66 V67 | W59-M63 HydrophobicContact CE3-CB 4.39Å; W59-M63 HydrophobicContact CE3-CG 3.6Å; W59-M63 HydrophobicContact CZ3-CG 3.89Å; W59-M63 WeakPolarHBondContact O-CG 3.32Å; W59-M63 PolarHBondContact O-N 3.25Å; L60-M63 PolarHBondContact O-N 3.34Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 2.87Å; M63-A66 HydrophobicContact CE-CB 4.34Å; M63-A66 PolarHBondContact O-N 2.91Å; M63-V67 WeakPolarHBondContact O-CB 3.25Å; M63-V67 VanDerWaalsContact O-CG2 3.25Å; M63-V67 WeakPolarHBondContact O-CG2 3.46Å; M63-V67 PolarHBondContact O-N 3.35Å |
| 64 | A | 55.5 | Low | 57.5 | Low | 8 Ų | 8 | 59.8 Ų | 59.8 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L60 H61 F68 C91 L95 | L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.28Å; H61-A64 PolarHBondContact O-N 2.82Å; A64-F68 VanDerWaalsContact O-CB 3.25Å; A64-F68 WeakPolarHBondContact O-CB 3.46Å; A64-F68 PolarHBondContact O-N 3.46Å; A64-C91 WeakPolarHBondContact CB-SG 3.35Å; A64-L95 HydrophobicContact CB-CD1 3.85Å; A64-L95 HydrophobicContact CB-CD2 3.44Å; A64-L95 VanDerWaalsContact CB-CD2 3.44Å; A64-L95 HydrophobicContact CB-CG 3.59Å |
| 65 | L | 58.7 | Low | 57.6 | Low | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 171.4 | -177.4 | 70.1 | 0 | 0 | 0 | 112 | H61 W62 M63 F68 M69 F149 Y212 | H61-L65 PolarHBondContact O-N 2.94Å; W62-L65 HydrophobicContact CE3-CD2 3.55Å; W62-L65 HydrophobicContact CZ3-CD2 3.54Å; W62-L65 WeakPolarHBondContact O-CB 3.45Å; W62-L65 PolarHBondContact O-N 2.83Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 2.87Å; L65-F68 PolarHBondContact O-N 3.34Å; L65-M69 WeakPolarHBondContact O-CB 2.98Å; L65-M69 PolarHBondContact O-N 3.42Å; L65-F149 HydrophobicContact CD2-CD2 4.1Å; L65-F149 HydrophobicContact CD2-CE2 3.89Å; L65-F149 HydrophobicContact CG-CD2 4.38Å; L65-F149 HydrophobicContact CG-CE2 4Å; L65-Y212 WeakPolarHBondContact CD1-OH 3.25Å |
| 66 | A | 60.9 | Low | 57.9 | Low | 36 Ų | 36 | 54.5 Ų | 54.5 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W62 M63 M69 A70 | W62-A66 WeakPolarHBondContact O-CB 3.41Å; W62-A66 PolarHBondContact O-N 3.37Å; M63-A66 HydrophobicContact CE-CB 4.34Å; M63-A66 PolarHBondContact O-N 2.91Å; A66-M69 PolarHBondContact O-N 3.42Å; A66-A70 VanDerWaalsContact O-CB 3.22Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.28Å |
| 67 | V | 59 | Low | 58.1 | Low | 71 Ų | 71 | 52.9 Ų | 52.9 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | M63 A70 T71 | M63-V67 WeakPolarHBondContact O-CB 3.25Å; M63-V67 VanDerWaalsContact O-CG2 3.25Å; M63-V67 WeakPolarHBondContact O-CG2 3.46Å; M63-V67 PolarHBondContact O-N 3.35Å; V67-A70 PolarHBondContact O-N 2.83Å; V67-T71 VanDerWaalsContact O-CB 3.26Å; V67-T71 WeakPolarHBondContact O-CB 3.39Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.38Å |
| 68 | F | 57.7 | Low | 58.1 | Low | 42 Ų | 42 | 54.2 Ų | 54.2 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 176 | 177.3 | -99 | 0 | 0 | 0 | 111.5 | A64 L65 T71 Y72 V208 | A64-F68 VanDerWaalsContact O-CB 3.25Å; A64-F68 WeakPolarHBondContact O-CB 3.46Å; A64-F68 PolarHBondContact O-N 3.46Å; L65-F68 PolarHBondContact O-N 3.34Å; F68-T71 CarbonylContact O-C 3.42Å; F68-T71 WeakPolarHBondContact O-CB 3.36Å; F68-T71 PolarHBondContact O-N 3.16Å; F68-Y72 HydrophobicContact CZ-CD2 4.35Å; F68-Y72 WeakPolarHBondContact O-CB 3.39Å; F68-Y72 PolarHBondContact O-N 2.92Å; F68-V208 HydrophobicContact CD1-CG1 4.25Å; F68-V208 HydrophobicContact CD2-CG2 3.6Å; F68-V208 HydrophobicContact CE1-CB 4.2Å; F68-V208 HydrophobicContact CE1-CG1 3.61Å; F68-V208 HydrophobicContact CE1-CG2 4.12Å; F68-V208 HydrophobicContact CE2-CB 3.88Å; F68-V208 HydrophobicContact CE2-CG1 4.18Å; F68-V208 HydrophobicContact CE2-CG2 3.11Å; F68-V208 HydrophobicContact CG-CG2 4.27Å; F68-V208 HydrophobicContact CZ-CB 3.61Å; F68-V208 HydrophobicContact CZ-CG1 3.56Å; F68-V208 HydrophobicContact CZ-CG2 3.4Å; F68-V208 VanDerWaalsContact CZ-CG2 3.4Å |
| 69 | M | 62 | Low | 57.8 | Low | 28 Ų | 28 | 54.6 Ų | 54.6 | 14% | 0.138 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.2 | -40.1 | -179.9 | -165.3 | 60 | -171.1 | 0 | 0 | 112.1 | L65 A66 T71 Y72 I73 F149 | L65-M69 WeakPolarHBondContact O-CB 2.98Å; L65-M69 PolarHBondContact O-N 3.42Å; A66-M69 PolarHBondContact O-N 3.42Å; M69-T71 VanDerWaalsContact C-N 3.26Å; M69-T71 PolarHBondContact O-N 2.87Å; M69-Y72 HydrophobicContact CE-CD1 4.32Å; M69-Y72 PolarHBondContact O-N 3.46Å; M69-Y72 HydrophobicContact SD-CD1 4.33Å; M69-I73 HydrophobicContact CE-CD1 4.17Å; M69-I73 HydrophobicContact CE-CG1 4.12Å; M69-I73 HydrophobicContact CG-CD1 4.11Å; M69-I73 WeakPolarHBondContact O-CB 3.46Å; M69-I73 VanDerWaalsContact O-CG1 3.26Å; M69-I73 WeakPolarHBondContact O-CG1 3.38Å; M69-I73 PolarHBondContact O-N 3.16Å; M69-F149 HydrophobicContact CB-CE2 4.41Å |
| 70 | A | 60.2 | Low | 57.6 | Low | 60 Ų | 60 | 55 Ų | 55 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A66 V67 A74 | A66-A70 VanDerWaalsContact O-CB 3.22Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.28Å; V67-A70 PolarHBondContact O-N 2.83Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.49Å |
| 71 | T | 54.5 | Low | 57.4 | Low | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.172 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 175.6 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | V67 F68 M69 A74 I75 N88 | V67-T71 VanDerWaalsContact O-CB 3.26Å; V67-T71 WeakPolarHBondContact O-CB 3.39Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.38Å; F68-T71 CarbonylContact O-C 3.42Å; F68-T71 WeakPolarHBondContact O-CB 3.36Å; F68-T71 PolarHBondContact O-N 3.16Å; M69-T71 VanDerWaalsContact C-N 3.26Å; M69-T71 PolarHBondContact O-N 2.87Å; T71-A74 PolarHBondContact O-N 3.08Å; T71-I75 HydrophobicContact CG2-CD1 3.64Å; T71-I75 HydrophobicContact CG2-CG1 4.23Å; T71-I75 WeakPolarHBondContact O-CB 3.38Å; T71-I75 WeakPolarHBondContact O-CG1 3.47Å; T71-I75 PolarHBondContact O-N 3.45Å; T71-N88 WeakPolarHBondContact CG2-ND2 3.33Å |
| 72 | Y | 57.3 | Low | 57.2 | Low | 46 Ų | 46 | 57.6 Ų | 57.6 | 18% | 0.18 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.4 | -171.9 | -94.6 | 0 | 0 | 0 | 111.2 | F68 M69 I75 G76 Q205 | F68-Y72 HydrophobicContact CZ-CD2 4.35Å; F68-Y72 WeakPolarHBondContact O-CB 3.39Å; F68-Y72 PolarHBondContact O-N 2.92Å; M69-Y72 HydrophobicContact CE-CD1 4.32Å; M69-Y72 PolarHBondContact O-N 3.46Å; M69-Y72 HydrophobicContact SD-CD1 4.33Å; Y72-I75 PolarHBondContact O-N 3.3Å; Y72-G76 PolarHBondContact O-N 3.15Å; Y72-Q205 HydrophobicContact CE2-CG 4.43Å |
| 73 | I | 62 | Low | 56.7 | Low | 79 Ų | 79 | 63.9 Ų | 63.9 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 174.8 | -65.3 | 166.9 | 0 | 0 | 0 | 110.3 | M69 I75 G76 C77 | M69-I73 HydrophobicContact CE-CD1 4.17Å; M69-I73 HydrophobicContact CE-CG1 4.12Å; M69-I73 HydrophobicContact CG-CD1 4.11Å; M69-I73 WeakPolarHBondContact O-CB 3.46Å; M69-I73 VanDerWaalsContact O-CG1 3.26Å; M69-I73 WeakPolarHBondContact O-CG1 3.38Å; M69-I73 PolarHBondContact O-N 3.16Å; I73-I75 VanDerWaalsContact C-N 3.33Å; I73-I75 PolarHBondContact O-N 3.19Å; I73-G76 PolarHBondContact O-N 3.43Å; I73-C77 VanDerWaalsContact O-CB 3.31Å; I73-C77 WeakPolarHBondContact O-CB 3.3Å; I73-C77 PolarHBondContact O-N 3.38Å; I73-C77 PolarHBondContact O-SG 2.78Å; I73-C77 VanDerWaalsContact O-SG 3.4Å |
| 74 | A | 55.5 | Low | 56.4 | Low | 29 Ų | 29 | 69.8 Ų | 69.8 | 24% | 0.24 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A70 T71 C78 V81 | A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.49Å; T71-A74 PolarHBondContact O-N 3.08Å; A74-C78 CarbonylContact O-C 3.6Å; A74-C78 VanDerWaalsContact O-CA 3.3Å; A74-C78 WeakPolarHBondContact O-CA 3.27Å; A74-C78 WeakPolarHBondContact O-CB 3.34Å; A74-C78 PolarHBondContact O-N 3.39Å; A74-V81 HydrophobicContact CB-CG1 4.08Å |
| 75 | I | 52.6 | Low | 56.1 | Low | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75.7 | -34.5 | 177.6 | -63.8 | 170 | 0 | 0 | 0 | 111.5 | T71 Y72 I73 R82 F201 | T71-I75 HydrophobicContact CG2-CD1 3.64Å; T71-I75 HydrophobicContact CG2-CG1 4.23Å; T71-I75 WeakPolarHBondContact O-CB 3.38Å; T71-I75 WeakPolarHBondContact O-CG1 3.47Å; T71-I75 PolarHBondContact O-N 3.45Å; Y72-I75 PolarHBondContact O-N 3.3Å; I73-I75 VanDerWaalsContact C-N 3.33Å; I73-I75 PolarHBondContact O-N 3.19Å; I75-R82 HydrophobicContact CG2-CB 4.09Å; I75-R82 HydrophobicContact CG2-CG 3.75Å; I75-F201 HydrophobicContact CB-CD2 4.05Å; I75-F201 HydrophobicContact CB-CE2 3.73Å; I75-F201 HydrophobicContact CB-CZ 4.34Å; I75-F201 HydrophobicContact CD1-CD2 3.51Å; I75-F201 HydrophobicContact CD1-CE2 3.84Å; I75-F201 HydrophobicContact CG1-CD2 4.34Å; I75-F201 HydrophobicContact CG1-CE2 4.4Å; I75-F201 HydrophobicContact CG2-CD1 4.17Å; I75-F201 HydrophobicContact CG2-CD2 3.42Å; I75-F201 VanDerWaalsContact CG2-CD2 3.42Å; I75-F201 HydrophobicContact CG2-CE1 4.11Å; I75-F201 HydrophobicContact CG2-CE2 3.34Å; I75-F201 HydrophobicContact CG2-CG 3.82Å; I75-F201 HydrophobicContact CG2-CZ 3.71Å |
| 76 | G | 57.3 | Low | 56 | Low | 60 Ų | 60 | 77.5 Ų | 77.5 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y72 I73 | Y72-G76 PolarHBondContact O-N 3.15Å; I73-G76 PolarHBondContact O-N 3.43Å |
| 77 | C | 60.1 | Low | 55.8 | Low | 102 Ų | 102 | 77.7 Ų | 77.7 | 69% | 0.689 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -90.3 | -27.6 | -177.8 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | I73 | I73-C77 VanDerWaalsContact O-CB 3.31Å; I73-C77 WeakPolarHBondContact O-CB 3.3Å; I73-C77 PolarHBondContact O-N 3.38Å; I73-C77 PolarHBondContact O-SG 2.78Å; I73-C77 VanDerWaalsContact O-SG 3.4Å |
| 78 | C | 55.7 | Low | 55.7 | Low | 60 Ų | 60 | 76.2 Ų | 76.2 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | trans | -126 | 99.3 | -176.2 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | A74 N80 V81 | A74-C78 CarbonylContact O-C 3.6Å; A74-C78 VanDerWaalsContact O-CA 3.3Å; A74-C78 WeakPolarHBondContact O-CA 3.27Å; A74-C78 WeakPolarHBondContact O-CB 3.34Å; A74-C78 PolarHBondContact O-N 3.39Å; C78-N80 PolarHBondContact O-N 3.44Å; C78-V81 HydrophobicContact CB-CB 4.33Å; C78-V81 HydrophobicContact CB-CG2 3.91Å; C78-V81 PolarHBondContact O-N 3.28Å | ||
| 79 | T | 54.9 | Low | 55.6 | Low | 94 Ų | 94 | 76.4 Ų | 76.4 | 58% | 0.577 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -52.7 | -27.5 | 171.6 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | R82 | T79-R82 VanDerWaalsContact O-CB 3.28Å; T79-R82 WeakPolarHBondContact O-CB 3.38Å |
| 80 | N | 53.2 | Low | 55.5 | Low | 152 Ų | 152 | 79.6 Ų | 79.6 | 81% | 0.813 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -75.2 | -19 | 179.8 | -68.3 | -50.7 | 0 | 0 | 0 | 115 | C78 | C78-N80 PolarHBondContact O-N 3.44Š|
| 81 | V | 52.8 | Low | 55.2 | Low | 71 Ų | 71 | 78.2 Ų | 78.2 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -90.6 | -11.4 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 112 | A74 C78 R83 R84 | A74-V81 HydrophobicContact CB-CG1 4.08Å; C78-V81 HydrophobicContact CB-CB 4.33Å; C78-V81 HydrophobicContact CB-CG2 3.91Å; C78-V81 PolarHBondContact O-N 3.28Å; V81-R83 PolarHBondContact O-N 2.91Å; V81-R84 PolarHBondContact O-N 3.45Å |
| 82 | R | 49.6 | Very low | 55.3 | Low | 70 Ų | 70 | 77.1 Ų | 77.1 | 26% | 0.264 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16.8 | -179.5 | -162 | 172.3 | -64.8 | -177.5 | -3.1 | 114.7 | I75 T79 D198 F201 | I75-R82 HydrophobicContact CG2-CB 4.09Å; I75-R82 HydrophobicContact CG2-CG 3.75Å; T79-R82 VanDerWaalsContact O-CB 3.28Å; T79-R82 WeakPolarHBondContact O-CB 3.38Å; R82-D198 WeakPolarHBondContact CD-OD1 3.48Å; R82-D198 WeakPolarHBondContact CD-OD2 3.34Å; R82-D198 HydrophobicContact CG-CB 4.4Å; R82-D198 WeakPolarHBondContact CG-OD1 3.29Å; R82-D198 IonicContact CZ-OD2 3.77Å; R82-D198 IonicContact NE-OD2 2.63Å; R82-D198 IonicContact NH1-OD2 2.7Å; R82-D198 PolarHBondContact NH1-OD2 3.25Å; R82-F201 HydrophobicContact CG-CB 4.4Å |
| 83 | R | 51.9 | Low | 55.2 | Low | 182 Ų | 182 | 76.4 Ų | 76.4 | 69% | 0.687 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 3.2 | -168.7 | -65.8 | 179.1 | 172.7 | 179.5 | -4.5 | 116.3 | V81 E197 | V81-R83 PolarHBondContact O-N 2.91Å; R83-E197 IonicContact NH2-OE2 2.8Å; R83-E197 PolarHBondContact NH2-OE2 2.94Å |
| 84 | R | 52.8 | Low | 55.1 | Low | 223 Ų | 223 | 78.5 Ų | 78.5 | 84% | 0.842 | 43% | 0.425 | S | S | * | . | trans | -99.1 | 89.5 | 177.8 | -80.5 | -163.2 | 179.6 | 179.9 | 1.9 | 113.7 | V81 | V81-R84 PolarHBondContact O-N 3.45Š| ||
| 85 | Y | 49.6 | Very low | 55.1 | Low | 119 Ų | 119 | 78 Ų | 78 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | trans | -62.2 | 153.8 | 152.2 | -139.9 | -105.4 | 0 | 0 | 0 | 109.7 | V89 V200 | Y85-V89 HydrophobicContact CE1-CG2 4.5Å; Y85-V89 HydrophobicContact CE2-CG2 3.8Å; Y85-V200 HydrophobicContact CD2-CB 4.48Å; Y85-V200 HydrophobicContact CD2-CG1 3.57Å; Y85-V200 HydrophobicContact CD2-CG2 4.04Å; Y85-V200 HydrophobicContact CE2-CG1 3.72Å; Y85-V200 HydrophobicContact CE2-CG2 4.04Å | ||
| 86 | P | 55.8 | Low | 55.4 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | S | Bend | cis | -118.8 | 8.8 | 10.1 | 40.1 | -29.3 | 0 | 0 | 0 | 116 | N88 V89 I90 | P86-N88 VanDerWaalsContact C-N 3.29Å; P86-N88 PolarHBondContact O-N 3.21Å; P86-V89 PolarHBondContact O-N 2.89Å; P86-I90 HydrophobicContact CB-CD1 4.29Å; P86-I90 HydrophobicContact CG-CD1 4.1Å; P86-I90 PolarHBondContact O-N 2.72Å |
| 87 | G | 58 | Low | 55.3 | Low | 39 Ų | 39 | 77.3 Ų | 77.3 | 40% | 0.402 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.6 | -39.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V89 I90 C91 | G87-V89 PolarHBondContact O-N 3.37Å; G87-I90 PolarHBondContact O-N 2.82Å; G87-C91 WeakPolarHBondContact O-CB 3.44Å; G87-C91 PolarHBondContact O-N 3.49Å |
| 88 | N | 56.7 | Low | 54.9 | Low | 41 Ų | 41 | 73.7 Ų | 73.7 | 22% | 0.219 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | -174.6 | -42.6 | 0.2 | 0 | 0 | 0 | 111.3 | T71 P86 C91 L92 | T71-N88 WeakPolarHBondContact CG2-ND2 3.33Å; P86-N88 VanDerWaalsContact C-N 3.29Å; P86-N88 PolarHBondContact O-N 3.21Å; N88-C91 PolarHBondContact O-N 3.06Å; N88-L92 VanDerWaalsContact O-CB 3.28Å; N88-L92 WeakPolarHBondContact O-CB 3.28Å; N88-L92 PolarHBondContact O-N 2.86Å |
| 89 | V | 55.6 | Low | 54.8 | Low | 45 Ų | 45 | 71.4 Ų | 71.4 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75 | -36.4 | -179.1 | 178 | 0 | 0 | 0 | 0 | 111.2 | Y85 P86 G87 L92 A93 | Y85-V89 HydrophobicContact CE1-CG2 4.5Å; Y85-V89 HydrophobicContact CE2-CG2 3.8Å; P86-V89 PolarHBondContact O-N 2.89Å; G87-V89 PolarHBondContact O-N 3.37Å; V89-L92 PolarHBondContact O-N 3.08Å; V89-A93 VanDerWaalsContact O-CB 3.27Å; V89-A93 WeakPolarHBondContact O-CB 3.4Å; V89-A93 PolarHBondContact O-N 2.86Å |
| 90 | I | 58.6 | Low | 54.8 | Low | 95 Ų | 95 | 68.5 Ų | 68.5 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 173.5 | -64 | 169.4 | 0 | 0 | 0 | 109.7 | P86 G87 A93 F94 | P86-I90 HydrophobicContact CB-CD1 4.29Å; P86-I90 HydrophobicContact CG-CD1 4.1Å; P86-I90 PolarHBondContact O-N 2.72Å; G87-I90 PolarHBondContact O-N 2.82Å; I90-A93 PolarHBondContact O-N 2.63Å; I90-F94 HydrophobicContact CG2-CD2 4.08Å; I90-F94 HydrophobicContact CG2-CE2 4.32Å; I90-F94 WeakPolarHBondContact O-CD2 3.43Å; I90-F94 PolarHBondContact O-N 2.99Å |
| 91 | C | 55.4 | Low | 54.7 | Low | 31 Ų | 31 | 62.9 Ų | 62.9 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 177 | -147.1 | 0 | 0 | 0 | 0 | 111.7 | A64 G87 N88 F94 L95 | A64-C91 WeakPolarHBondContact CB-SG 3.35Å; G87-C91 WeakPolarHBondContact O-CB 3.44Å; G87-C91 PolarHBondContact O-N 3.49Å; N88-C91 PolarHBondContact O-N 3.06Å; C91-F94 WeakPolarHBondContact O-CB 3.36Å; C91-F94 PolarHBondContact O-N 3.43Å; C91-L95 WeakPolarHBondContact O-CB 3.41Å; C91-L95 WeakPolarHBondContact O-CG 3.43Å; C91-L95 PolarHBondContact O-N 3.29Å |
| 92 | L | 55.5 | Low | 54.6 | Low | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.2 | -108.6 | 152.1 | 0 | 0 | 0 | 112.9 | N88 V89 F94 L95 V96 L207 V208 V211 | N88-L92 VanDerWaalsContact O-CB 3.28Å; N88-L92 WeakPolarHBondContact O-CB 3.28Å; N88-L92 PolarHBondContact O-N 2.86Å; V89-L92 PolarHBondContact O-N 3.08Å; L92-F94 VanDerWaalsContact C-N 3.29Å; L92-F94 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L92-V96 HydrophobicContact CD2-CG2 4.47Å; L92-V96 WeakPolarHBondContact O-CG2 3.33Å; L92-V96 PolarHBondContact O-N 3.37Å; L92-L207 HydrophobicContact CB-CD2 4.14Å; L92-L207 HydrophobicContact CD1-CB 4.33Å; L92-L207 HydrophobicContact CD1-CD2 3.74Å; L92-L207 HydrophobicContact CD1-CG 4.16Å; L92-L207 HydrophobicContact CD2-CB 4.37Å; L92-L207 HydrophobicContact CD2-CD2 3.56Å; L92-L207 HydrophobicContact CD2-CG 3.52Å; L92-L207 HydrophobicContact CG-CD2 3.98Å; L92-L207 HydrophobicContact CG-CG 4.36Å; L92-V208 HydrophobicContact CD1-CG2 3.85Å; L92-V208 HydrophobicContact CD2-CG2 4.16Å; L92-V208 HydrophobicContact CG-CG2 4.18Å; L92-V211 HydrophobicContact CD2-CG2 4.05Å |
| 93 | A | 56.5 | Low | 54.8 | Low | 30 Ų | 30 | 63.2 Ų | 63.2 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V89 I90 N97 | V89-A93 VanDerWaalsContact O-CB 3.27Å; V89-A93 WeakPolarHBondContact O-CB 3.4Å; V89-A93 PolarHBondContact O-N 2.86Å; I90-A93 PolarHBondContact O-N 2.63Å; A93-N97 WeakPolarHBondContact O-CB 3.27Å; A93-N97 PolarHBondContact O-N 2.85Å; A93-N97 PolarHBondContact O-ND2 3.05Å |
| 94 | F | 58.2 | Low | 55.1 | Low | 124 Ų | 124 | 57.2 Ų | 57.2 | 54% | 0.544 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 172.5 | -99.3 | -84.6 | 0 | 0 | 0 | 112.3 | I90 C91 L92 N97 H98 | I90-F94 HydrophobicContact CG2-CD2 4.08Å; I90-F94 HydrophobicContact CG2-CE2 4.32Å; I90-F94 WeakPolarHBondContact O-CD2 3.43Å; I90-F94 PolarHBondContact O-N 2.99Å; C91-F94 WeakPolarHBondContact O-CB 3.36Å; C91-F94 PolarHBondContact O-N 3.43Å; L92-F94 VanDerWaalsContact C-N 3.29Å; L92-F94 PolarHBondContact O-N 3.41Å; F94-N97 PolarHBondContact O-N 2.9Å; F94-H98 VanDerWaalsContact O-CB 3.26Å; F94-H98 WeakPolarHBondContact O-CB 3.2Å; F94-H98 PolarHBondContact O-N 3.48Å |
| 95 | L | 55.7 | Low | 55.6 | Low | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -45.8 | -179.9 | -79.8 | 173.2 | 0 | 0 | 0 | 113.3 | A64 C91 L92 N97 H98 C99 | A64-L95 HydrophobicContact CB-CD1 3.85Å; A64-L95 HydrophobicContact CB-CD2 3.44Å; A64-L95 VanDerWaalsContact CB-CD2 3.44Å; A64-L95 HydrophobicContact CB-CG 3.59Å; C91-L95 WeakPolarHBondContact O-CB 3.41Å; C91-L95 WeakPolarHBondContact O-CG 3.43Å; C91-L95 PolarHBondContact O-N 3.29Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L95-N97 VanDerWaalsContact C-N 3.31Å; L95-N97 PolarHBondContact O-N 3.32Å; L95-H98 WeakPolarHBondContact O-CB 3.35Å; L95-H98 PolarHBondContact O-N 2.93Å; L95-H98 VanDerWaalsContact O-N 3.16Å; L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 VanDerWaalsContact O-N 3.15Å; L95-C99 PolarHBondContact O-SG 3.21Å; L95-C99 VanDerWaalsContact O-SG 3.38Å |
| 96 | V | 58.6 | Low | 56.4 | Low | 36 Ų | 36 | 51.4 Ų | 51.4 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.8 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | V41 L92 H98 C99 L100 V211 | V41-V96 HydrophobicContact CG1-CG1 4.49Å; L92-V96 HydrophobicContact CD2-CG2 4.47Å; L92-V96 WeakPolarHBondContact O-CG2 3.33Å; L92-V96 PolarHBondContact O-N 3.37Å; V96-H98 VanDerWaalsContact C-N 3.33Å; V96-H98 PolarHBondContact O-N 3.27Å; V96-C99 PolarHBondContact O-N 3.11Å; V96-L100 HydrophobicContact CG1-CD1 3.85Å; V96-L100 WeakPolarHBondContact O-CD1 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.3Å; V96-V211 HydrophobicContact CG2-CG2 3.58Å |
| 97 | N | 55.8 | Low | 57 | Low | 15 Ų | 15 | 53.8 Ų | 53.8 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 175.7 | -76.2 | -63.5 | 0 | 0 | 0 | 112.8 | V41 F44 S45 A93 F94 L95 C99 | V41-N97 PolarHBondContact O-OD1 3.48Å; F44-N97 HydrophobicContact CD1-CB 3.98Å; S45-N97 PolarHBondContact N-OD1 3.27Å; A93-N97 WeakPolarHBondContact O-CB 3.27Å; A93-N97 PolarHBondContact O-N 2.85Å; A93-N97 PolarHBondContact O-ND2 3.05Å; F94-N97 PolarHBondContact O-N 2.9Å; L95-N97 VanDerWaalsContact C-N 3.31Å; L95-N97 PolarHBondContact O-N 3.32Å; N97-C99 VanDerWaalsContact C-N 3.35Å |
| 98 | H | 52.9 | Low | 57.5 | Low | 25 Ų | 25 | 52 Ų | 52 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -32.7 | 179.6 | -170.3 | 99.4 | 0 | 0 | 0 | 112.8 | V54 F94 L95 V96 | V54-H98 HydrophobicContact CG1-CB 4.44Å; V54-H98 WeakPolarHBondContact CG1-CE1 3.44Å; V54-H98 WeakPolarHBondContact CG1-ND1 3.46Å; F94-H98 VanDerWaalsContact O-CB 3.26Å; F94-H98 WeakPolarHBondContact O-CB 3.2Å; F94-H98 PolarHBondContact O-N 3.48Å; L95-H98 WeakPolarHBondContact O-CB 3.35Å; L95-H98 PolarHBondContact O-N 2.93Å; L95-H98 VanDerWaalsContact O-N 3.16Å; V96-H98 VanDerWaalsContact C-N 3.33Å; V96-H98 PolarHBondContact O-N 3.27Å |
| 99 | C | 53.6 | Low | 58.1 | Low | 13 Ų | 13 | 51.1 Ų | 51.1 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -85.3 | -28.3 | -172.7 | -75.9 | 0 | 0 | 0 | 0 | 114.7 | L95 V96 N97 E101 M215 | L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 VanDerWaalsContact O-N 3.15Å; L95-C99 PolarHBondContact O-SG 3.21Å; L95-C99 VanDerWaalsContact O-SG 3.38Å; V96-C99 PolarHBondContact O-N 3.11Å; N97-C99 VanDerWaalsContact C-N 3.35Å; C99-E101 PolarHBondContact O-N 3.33Å; C99-M215 HydrophobicContact CB-CE 4.19Å; C99-M215 HydrophobicContact CB-CG 4.08Å; C99-M215 HydrophobicContact CB-SD 3.3Å; C99-M215 WeakPolarHBondContact CB-SD 3.47Å; C99-M215 WeakPolarHBondContact SG-CE 3.43Å; C99-M215 PolarHBondContact SG-SD 2.96Å |
| 100 | L | 54.8 | Low | 58.7 | Low | 33 Ų | 33 | 53.6 Ų | 53.6 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -74.9 | -19.2 | -166 | -78.8 | 165.6 | 0 | 0 | 0 | 115 | V96 V109 F214 | V96-L100 HydrophobicContact CG1-CD1 3.85Å; V96-L100 WeakPolarHBondContact O-CD1 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.3Å; L100-V109 HydrophobicContact CD2-CG1 3.72Å; L100-F214 HydrophobicContact CD2-CD1 4.49Å; L100-F214 HydrophobicContact CD2-CE1 3.27Å; L100-F214 HydrophobicContact CD2-CZ 3.37Å; L100-F214 HydrophobicContact CG-CE1 4.12Å |
| 101 | E | 49.5 | Very low | 59.1 | Low | 34 Ų | 34 | 52.6 Ų | 52.6 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -134.3 | -7.2 | -154.7 | -58.7 | -148.6 | 163.4 | 0 | 0 | 118.4 | S45 K51 C99 | S45-E101 WeakPolarHBondContact CA-OE1 3.32Å; S45-E101 WeakPolarHBondContact CB-OE1 3.1Å; S45-E101 PolarHBondContact OG-OE1 3.43Å; K51-E101 HydrophobicContact CD-CB 4.38Å; K51-E101 WeakPolarHBondContact CE-OE2 3.34Å; K51-E101 HydrophobicContact CG-CB 4.08Å; K51-E101 IonicContact NZ-OE2 3.7Å; C99-E101 PolarHBondContact O-N 3.33Å |
| 102 | T | 51.6 | Low | 59.8 | Low | 24 Ų | 24 | 51.1 Ų | 51.1 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -100.3 | -16.3 | -167.7 | -38.1 | 0 | 0 | 0 | 0 | 114 | R55 | R55-T102 HydrophobicContact CB-CG2 3.61Å; R55-T102 HydrophobicContact CG-CG2 3.67Å |
| 103 | F | 54.1 | Low | 60.5 | Low | 124 Ų | 124 | 53 Ų | 53 | 54% | 0.544 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -134.9 | -13.2 | -171.1 | -66.5 | -77.4 | 0 | 0 | 0 | 116.1 | ||
| 104 | Y | 57.7 | Low | 61.1 | Low | 56 Ų | 56 | 56.6 Ų | 56.6 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -130 | 138 | -169.9 | -60.4 | -65.9 | 0 | 0 | 0 | 112.9 | L218 Q219 G222 | Y104-L218 HydrophobicContact CD2-CB 3.84Å; Y104-L218 HydrophobicContact CD2-CD1 4.29Å; Y104-L218 HydrophobicContact CD2-CD2 4.22Å; Y104-L218 HydrophobicContact CD2-CG 4.37Å; Y104-L218 WeakPolarHBondContact CE1-O 3.3Å; Y104-L218 HydrophobicContact CE2-CB 3.9Å; Y104-L218 HydrophobicContact CG-CB 4.45Å; Y104-L218 HydrophobicContact CG-CD2 4.37Å; Y104-Q219 WeakPolarHBondContact OH-CG 3.22Å; Y104-G222 VanDerWaalsContact CD1-CA 3.43Å |
| 105 | N | 64 | Low | 61.8 | Low | 108 Ų | 108 | 54 Ų | 54 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | trans | -56 | 144.2 | 175.6 | -75.7 | -41 | 0 | 0 | 0 | 111.1 | E107 S108 V109 | N105-E107 PolarHBondContact O-N 3.16Å; N105-E107 VanDerWaalsContact O-N 3.08Å; N105-S108 WeakPolarHBondContact O-CA 2.81Å; N105-S108 VanDerWaalsContact O-CB 3.28Å; N105-S108 WeakPolarHBondContact O-CB 3.4Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-V109 PolarHBondContact O-N 2.79Å | ||
| 106 | T | 66.1 | Low | 62.7 | Low | 111 Ų | 111 | 53.4 Ų | 53.4 | 68% | 0.681 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -51.4 | -38.5 | -179.2 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | V109 V110 | T106-V109 WeakPolarHBondContact O-CB 3.45Å; T106-V109 PolarHBondContact O-N 3.34Å; T106-V110 WeakPolarHBondContact O-CG2 3.38Å; T106-V110 PolarHBondContact O-N 2.95Å |
| 107 | E | 67.6 | Low | 63.3 | Low | 121 Ų | 121 | 57.9 Ų | 57.9 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.4 | -38.6 | 177.1 | -62.1 | -175.6 | -172.5 | 0 | 0 | 112.9 | N105 V109 V110 I111 R225 | N105-E107 PolarHBondContact O-N 3.16Å; N105-E107 VanDerWaalsContact O-N 3.08Å; E107-V109 VanDerWaalsContact C-N 3.26Å; E107-V109 PolarHBondContact O-N 3.28Å; E107-V110 PolarHBondContact O-N 3.37Å; E107-I111 VanDerWaalsContact O-CG1 3.29Å; E107-I111 WeakPolarHBondContact O-CG1 3.41Å; E107-I111 PolarHBondContact O-N 2.87Å; E107-R225 IonicContact OE2-CZ 3.39Å; E107-R225 IonicContact OE2-NH1 3.19Å; E107-R225 PolarHBondContact OE2-NH1 3.15Å; E107-R225 IonicContact OE2-NH2 2.86Å; E107-R225 PolarHBondContact OE2-NH2 3.18Å |
| 108 | S | 69 | Low | 64.1 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 173.4 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | N105 A112 R225 | N105-S108 WeakPolarHBondContact O-CA 2.81Å; N105-S108 VanDerWaalsContact O-CB 3.28Å; N105-S108 WeakPolarHBondContact O-CB 3.4Å; N105-S108 PolarHBondContact O-N 3.12Å; S108-A112 VanDerWaalsContact O-CB 3.24Å; S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 3.4Å; S108-R225 WeakPolarHBondContact OG-CD 3.16Å |
| 109 | V | 68.7 | Low | 65.1 | Low | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 178 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | L100 N105 T106 E107 A112 A113 F214 L218 | L100-V109 HydrophobicContact CD2-CG1 3.72Å; N105-V109 PolarHBondContact O-N 2.79Å; T106-V109 WeakPolarHBondContact O-CB 3.45Å; T106-V109 PolarHBondContact O-N 3.34Å; E107-V109 VanDerWaalsContact C-N 3.26Å; E107-V109 PolarHBondContact O-N 3.28Å; V109-A112 PolarHBondContact O-N 3.27Å; V109-A113 VanDerWaalsContact O-CB 3.3Å; V109-A113 WeakPolarHBondContact O-CB 3.26Å; V109-A113 PolarHBondContact O-N 2.82Å; V109-F214 HydrophobicContact CG1-CZ 4.07Å; V109-L218 HydrophobicContact CB-CD2 4.23Å; V109-L218 HydrophobicContact CG2-CD2 3.86Å |
| 110 | V | 68.8 | Low | 65.9 | Low | 96 Ų | 96 | 62.2 Ų | 62.2 | 58% | 0.582 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | T106 E107 A113 L114 | T106-V110 WeakPolarHBondContact O-CG2 3.38Å; T106-V110 PolarHBondContact O-N 2.95Å; E107-V110 PolarHBondContact O-N 3.37Å; V110-A113 PolarHBondContact O-N 3.46Å; V110-L114 PolarHBondContact O-N 3.24Å |
| 111 | I | 67.4 | Low | 66.6 | Low | 75 Ų | 75 | 64.3 Ų | 64.3 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 177.2 | -67.9 | 167.4 | 0 | 0 | 0 | 110.6 | E107 A113 L114 I115 V221 | E107-I111 VanDerWaalsContact O-CG1 3.29Å; E107-I111 WeakPolarHBondContact O-CG1 3.41Å; E107-I111 PolarHBondContact O-N 2.87Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.39Å; I111-L114 PolarHBondContact O-N 3.38Å; I111-I115 HydrophobicContact CG2-CD1 3.78Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.28Å; I111-I115 PolarHBondContact O-N 3.36Å; I111-V221 HydrophobicContact CB-CG1 4.16Å; I111-V221 HydrophobicContact CG2-CG1 4.03Å; I111-V221 HydrophobicContact CG2-CG2 4.14Å |
| 112 | A | 70.7 | Confident | 67.4 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S108 V109 I115 C116 F214 L217 L218 V221 | S108-A112 VanDerWaalsContact O-CB 3.24Å; S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 3.4Å; V109-A112 PolarHBondContact O-N 3.27Å; A112-I115 PolarHBondContact O-N 2.82Å; A112-C116 WeakPolarHBondContact O-CB 3.29Å; A112-C116 PolarHBondContact O-N 3.2Å; A112-F214 HydrophobicContact CB-CD2 4.42Å; A112-F214 HydrophobicContact CB-CE2 4.01Å; A112-L217 HydrophobicContact CB-CB 3.95Å; A112-L218 HydrophobicContact CB-CD2 3.74Å; A112-L218 HydrophobicContact CB-CG 4.04Å; A112-V221 HydrophobicContact CB-CG2 4.27Å |
| 113 | A | 69.2 | Low | 68.4 | Low | 44 Ų | 44 | 64.7 Ų | 64.7 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V109 V110 I111 C116 F117 F214 | V109-A113 VanDerWaalsContact O-CB 3.3Å; V109-A113 WeakPolarHBondContact O-CB 3.26Å; V109-A113 PolarHBondContact O-N 2.82Å; V110-A113 PolarHBondContact O-N 3.46Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.39Å; A113-C116 WeakPolarHBondContact O-CB 3.33Å; A113-C116 PolarHBondContact O-N 2.84Å; A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.22Å; A113-F214 HydrophobicContact CB-CD2 4.44Å; A113-F214 HydrophobicContact CB-CE2 3.78Å |
| 114 | L | 70.3 | Confident | 69.2 | Low | 107 Ų | 107 | 60.3 Ų | 60.3 | 56% | 0.56 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.7 | -47.5 | 176.4 | -180 | 63.6 | 0 | 0 | 0 | 111.6 | V110 I111 C116 F117 L118 | V110-L114 PolarHBondContact O-N 3.24Å; I111-L114 PolarHBondContact O-N 3.38Å; L114-C116 VanDerWaalsContact C-N 3.27Å; L114-C116 PolarHBondContact O-N 2.76Å; L114-F117 PolarHBondContact O-N 3.17Å; L114-L118 HydrophobicContact CD1-CD1 4.47Å; L114-L118 HydrophobicContact CG-CD1 4.37Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.85Å |
| 115 | I | 71.4 | Confident | 69.8 | Low | 70 Ų | 70 | 61.2 Ų | 61.2 | 36% | 0.359 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 177 | -62.6 | 167.1 | 0 | 0 | 0 | 110.1 | I111 A112 L118 A119 L217 V221 | I111-I115 HydrophobicContact CG2-CD1 3.78Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.28Å; I111-I115 PolarHBondContact O-N 3.36Å; A112-I115 PolarHBondContact O-N 2.82Å; I115-L118 PolarHBondContact O-N 2.65Å; I115-A119 VanDerWaalsContact O-CB 3.24Å; I115-A119 WeakPolarHBondContact O-CB 3.45Å; I115-A119 PolarHBondContact O-N 3.46Å; I115-L217 HydrophobicContact CB-CD1 4.02Å; I115-L217 HydrophobicContact CB-CD2 4.29Å; I115-L217 HydrophobicContact CG2-CD1 3.79Å; I115-L217 HydrophobicContact CG2-CD2 3.55Å; I115-L217 HydrophobicContact CG2-CG 4.32Å; I115-V221 HydrophobicContact CD1-CG2 4.33Å |
| 116 | C | 75.3 | Confident | 70.2 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 177.5 | -170.9 | 0 | 0 | 0 | 0 | 111 | A112 A113 L114 L118 A119 C120 F214 L217 | A112-C116 WeakPolarHBondContact O-CB 3.29Å; A112-C116 PolarHBondContact O-N 3.2Å; A113-C116 WeakPolarHBondContact O-CB 3.33Å; A113-C116 PolarHBondContact O-N 2.84Å; L114-C116 VanDerWaalsContact C-N 3.27Å; L114-C116 PolarHBondContact O-N 2.76Å; C116-L118 PolarHBondContact O-N 3.14Å; C116-A119 PolarHBondContact O-N 3.18Å; C116-C120 WeakPolarHBondContact O-CB 3.27Å; C116-C120 PolarHBondContact O-N 3.48Å; C116-C120 PolarHBondContact O-SG 3.2Å; C116-F214 HydrophobicContact CB-CB 4.36Å; C116-F214 HydrophobicContact CB-CD2 4.07Å; C116-L217 HydrophobicContact CB-CD1 3.58Å |
| 117 | F | 71.7 | Confident | 70.4 | Confident | 130 Ų | 130 | 56.6 Ų | 56.6 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.7 | -48.4 | 177.5 | 174.3 | -101.2 | 0 | 0 | 0 | 111.6 | A113 L114 C120 L121 | A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.22Å; L114-F117 PolarHBondContact O-N 3.17Å; F117-C120 PolarHBondContact O-N 2.89Å; F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.35Å; F117-L121 PolarHBondContact O-N 2.89Å |
| 118 | L | 72.1 | Confident | 70.6 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 179 | -67.6 | 174.9 | 0 | 0 | 0 | 112.5 | L114 I115 C116 L121 G122 | L114-L118 HydrophobicContact CD1-CD1 4.47Å; L114-L118 HydrophobicContact CG-CD1 4.37Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.85Å; I115-L118 PolarHBondContact O-N 2.65Å; C116-L118 PolarHBondContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 3.4Å; L118-G122 PolarHBondContact O-N 2.92Å |
| 119 | A | 72.9 | Confident | 70.8 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I115 C116 G122 V123 | I115-A119 VanDerWaalsContact O-CB 3.24Å; I115-A119 WeakPolarHBondContact O-CB 3.45Å; I115-A119 PolarHBondContact O-N 3.46Å; C116-A119 PolarHBondContact O-N 3.18Å; A119-G122 PolarHBondContact O-N 3.15Å; A119-V123 WeakPolarHBondContact O-CB 3.29Å; A119-V123 VanDerWaalsContact O-CG2 3.31Å; A119-V123 WeakPolarHBondContact O-CG2 3.24Å; A119-V123 PolarHBondContact O-N 3.46Å |
| 120 | C | 70.6 | Confident | 71.2 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 10% | 0.101 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 177.9 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | C116 F117 S124 L179 | C116-C120 WeakPolarHBondContact O-CB 3.27Å; C116-C120 PolarHBondContact O-N 3.48Å; C116-C120 PolarHBondContact O-SG 3.2Å; F117-C120 PolarHBondContact O-N 2.89Å; C120-S124 VanDerWaalsContact O-CB 3.26Å; C120-S124 WeakPolarHBondContact O-CB 3.3Å; C120-S124 PolarHBondContact O-N 3.43Å; C120-S124 PolarHBondContact O-OG 3.4Å; C120-L179 HydrophobicContact CB-CD2 4.01Å |
| 121 | L | 70.1 | Confident | 71.4 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 177.1 | -176.6 | 63.7 | 0 | 0 | 0 | 111.4 | F117 L118 S124 L125 | F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.35Å; F117-L121 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.4Å; L121-S124 PolarHBondContact O-N 2.86Å; L121-L125 HydrophobicContact CD1-CD1 4.26Å; L121-L125 HydrophobicContact CD1-CG 4.33Å; L121-L125 HydrophobicContact CG-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 VanDerWaalsContact O-CG 3.28Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 3.25Å |
| 122 | G | 66.7 | Low | 71.7 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L118 A119 S124 L125 F126 | L118-G122 PolarHBondContact O-N 2.92Å; A119-G122 PolarHBondContact O-N 3.15Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 2.85Å; G122-L125 PolarHBondContact O-N 2.94Å; G122-F126 WeakPolarHBondContact O-CB 3.27Å; G122-F126 PolarHBondContact O-N 3.38Å |
| 123 | V | 71.8 | Confident | 71.9 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | A119 F126 A127 L179 A180 | A119-V123 WeakPolarHBondContact O-CB 3.29Å; A119-V123 VanDerWaalsContact O-CG2 3.31Å; A119-V123 WeakPolarHBondContact O-CG2 3.24Å; A119-V123 PolarHBondContact O-N 3.46Å; V123-F126 PolarHBondContact O-N 3.49Å; V123-A127 WeakPolarHBondContact O-CB 3.25Å; V123-A127 PolarHBondContact O-N 2.92Å; V123-L179 HydrophobicContact CB-CD2 3.93Å; V123-L179 HydrophobicContact CB-CG 4.46Å; V123-L179 HydrophobicContact CG1-CB 4.07Å; V123-L179 HydrophobicContact CG1-CD2 3.92Å; V123-L179 HydrophobicContact CG1-CG 3.91Å; V123-A180 HydrophobicContact CG1-CB 3.84Å |
| 124 | S | 71.8 | Confident | 72 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 179 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | C120 L121 G122 F126 A127 M128 | C120-S124 VanDerWaalsContact O-CB 3.26Å; C120-S124 WeakPolarHBondContact O-CB 3.3Å; C120-S124 PolarHBondContact O-N 3.43Å; C120-S124 PolarHBondContact O-OG 3.4Å; L121-S124 PolarHBondContact O-N 2.86Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 2.85Å; S124-F126 VanDerWaalsContact C-N 3.35Å; S124-F126 PolarHBondContact O-N 3.29Å; S124-A127 PolarHBondContact O-N 3.04Å; S124-M128 WeakPolarHBondContact O-CB 3.36Å; S124-M128 WeakPolarHBondContact O-CG 3.26Å; S124-M128 PolarHBondContact O-N 3Å |
| 125 | L | 68.8 | Low | 72 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 40% | 0.398 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 177.4 | -70.7 | 174.5 | 0 | 0 | 0 | 112 | L121 G122 M128 Q129 | L121-L125 HydrophobicContact CD1-CD1 4.26Å; L121-L125 HydrophobicContact CD1-CG 4.33Å; L121-L125 HydrophobicContact CG-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 VanDerWaalsContact O-CG 3.28Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 3.25Å; G122-L125 PolarHBondContact O-N 2.94Å; L125-M128 HydrophobicContact CD2-SD 4.37Å; L125-M128 PolarHBondContact O-N 3.39Å; L125-Q129 WeakPolarHBondContact O-CB 3.29Å; L125-Q129 VanDerWaalsContact O-CG 3.25Å; L125-Q129 WeakPolarHBondContact O-CG 3.5Å; L125-Q129 PolarHBondContact O-N 3.25Å; L125-Q129 VanDerWaalsContact O-N 3.08Å |
| 126 | F | 72.9 | Confident | 71.8 | Confident | 120 Ų | 120 | 69.4 Ų | 69.4 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 175.3 | 177.4 | -99.6 | 0 | 0 | 0 | 111.7 | G122 V123 S124 M128 Q129 T130 F134 | G122-F126 WeakPolarHBondContact O-CB 3.27Å; G122-F126 PolarHBondContact O-N 3.38Å; V123-F126 PolarHBondContact O-N 3.49Å; S124-F126 VanDerWaalsContact C-N 3.35Å; S124-F126 PolarHBondContact O-N 3.29Å; F126-M128 VanDerWaalsContact C-N 3.3Å; F126-M128 PolarHBondContact O-N 2.88Å; F126-Q129 PolarHBondContact O-N 3.43Å; F126-T130 HydrophobicContact CE1-CG2 4.46Å; F126-T130 WeakPolarHBondContact O-CB 3.41Å; F126-T130 VanDerWaalsContact O-CG2 3.29Å; F126-T130 WeakPolarHBondContact O-CG2 3.41Å; F126-T130 PolarHBondContact O-N 2.98Å; F126-F134 AromaticContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CZ 4.22Å |
| 127 | A | 71.4 | Confident | 71.5 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V123 S124 A180 V183 Q184 | V123-A127 WeakPolarHBondContact O-CB 3.25Å; V123-A127 PolarHBondContact O-N 2.92Å; S124-A127 PolarHBondContact O-N 3.04Å; A127-A180 HydrophobicContact CB-CB 4.3Å; A127-V183 HydrophobicContact CB-CB 4Å; A127-V183 HydrophobicContact CB-CG1 3.71Å; A127-Q184 HydrophobicContact CB-CG 4.16Å; A127-Q184 PolarHBondContact O-NE2 2.84Å |
| 128 | M | 70.5 | Confident | 71.3 | Confident | 116 Ų | 116 | 68.2 Ų | 68.2 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.6 | -41.8 | 173.5 | -72.1 | 170.3 | 78.8 | 0 | 0 | 112.9 | S124 L125 F126 I187 | S124-M128 WeakPolarHBondContact O-CB 3.36Å; S124-M128 WeakPolarHBondContact O-CG 3.26Å; S124-M128 PolarHBondContact O-N 3Å; L125-M128 HydrophobicContact CD2-SD 4.37Å; L125-M128 PolarHBondContact O-N 3.39Å; F126-M128 VanDerWaalsContact C-N 3.3Å; F126-M128 PolarHBondContact O-N 2.88Å; M128-I187 HydrophobicContact CB-CD1 4.12Å; M128-I187 HydrophobicContact CG-CD1 3.22Å; M128-I187 HydrophobicContact CG-CG1 4.28Å |
| 129 | Q | 74.4 | Confident | 70.6 | Confident | 152 Ų | 152 | 66 Ų | 66 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -88.5 | -24 | -171.8 | -67.5 | 174.2 | 36.1 | 0 | 0 | 113 | L125 F126 | L125-Q129 WeakPolarHBondContact O-CB 3.29Å; L125-Q129 VanDerWaalsContact O-CG 3.25Å; L125-Q129 WeakPolarHBondContact O-CG 3.5Å; L125-Q129 PolarHBondContact O-N 3.25Å; L125-Q129 VanDerWaalsContact O-N 3.08Å; F126-Q129 PolarHBondContact O-N 3.43Å |
| 130 | T | 76 | Confident | 70.2 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 10% | 0.098 | 38% | 0.377 | C | S | . | . | trans | -71.6 | 134.8 | -173.7 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | F126 Y132 F134 Q184 K190 | F126-T130 HydrophobicContact CE1-CG2 4.46Å; F126-T130 WeakPolarHBondContact O-CB 3.41Å; F126-T130 VanDerWaalsContact O-CG2 3.29Å; F126-T130 WeakPolarHBondContact O-CG2 3.41Å; F126-T130 PolarHBondContact O-N 2.98Å; T130-Y132 VanDerWaalsContact C-N 3.3Å; T130-Y132 PolarHBondContact OG1-N 3.38Å; T130-F134 HydrophobicContact CG2-CD2 4.47Å; T130-F134 HydrophobicContact CG2-CE2 4.03Å; T130-Q184 VanDerWaalsContact CG2-NE2 3.27Å; T130-K190 PolarHBondContact O-NZ 3.43Å; T130-K190 VanDerWaalsContact O-NZ 3.07Å | ||
| 131 | K | 74.3 | Confident | 70 | Confident | 194 Ų | 194 | 69.8 Ų | 69.8 | 84% | 0.843 | 37% | 0.374 | S | S | * | . | trans | -73.8 | -25.7 | 173.2 | -66.1 | -175.9 | -179.9 | -179.8 | 0 | 111.7 | D133 K190 | K131-D133 PolarHBondContact O-N 3.47Å; K131-K190 PolarHBondContact O-NZ 3.41Å | ||
| 132 | Y | 72.6 | Confident | 69.7 | Low | 179 Ų | 179 | 68.7 Ų | 68.7 | 70% | 0.702 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -64.2 | 131.4 | 179.6 | -66.3 | -76.2 | 0 | 0 | 0 | 111.3 | T130 Q184 | T130-Y132 VanDerWaalsContact C-N 3.3Å; T130-Y132 PolarHBondContact OG1-N 3.38Å; Y132-Q184 PolarHBondContact O-NE2 3.05Å |
| 133 | D | 75.5 | Confident | 69.1 | Low | 49 Ų | 49 | 71.1 Ų | 71.1 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | trans | -95.3 | 99.2 | 179.1 | -173.9 | -7.6 | 0 | 0 | 0 | 109.8 | K131 T135 K190 R191 | K131-D133 PolarHBondContact O-N 3.47Å; D133-T135 VanDerWaalsContact C-N 3.31Å; D133-T135 VanDerWaalsContact OD1-CB 3.3Å; D133-T135 WeakPolarHBondContact OD1-CB 3.31Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.93Å; D133-K190 HydrophobicContact CB-CD 4.1Å; D133-R191 WeakPolarHBondContact OD2-CB 3.5Å; D133-R191 WeakPolarHBondContact OD2-CG 3.35Å; D133-R191 PolarHBondContact OD2-N 3.07Å | ||
| 134 | F | 71.4 | Confident | 68.8 | Low | 54 Ų | 54 | 72.6 Ų | 72.6 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | trans | -78.8 | -18.7 | 176 | -63.6 | -70.3 | 0 | 0 | 0 | 112.1 | F126 T130 G136 C137 L177 I181 | F126-F134 AromaticContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CZ 4.22Å; T130-F134 HydrophobicContact CG2-CD2 4.47Å; T130-F134 HydrophobicContact CG2-CE2 4.03Å; F134-G136 PolarHBondContact O-N 3.34Å; F134-C137 PolarHBondContact O-N 3.24Å; F134-L177 HydrophobicContact CD1-CD1 3.85Å; F134-L177 HydrophobicContact CE1-CD1 4.24Å; F134-L177 HydrophobicContact CG-CD1 4.22Å; F134-I181 HydrophobicContact CB-CD1 4.44Å; F134-I181 HydrophobicContact CB-CG1 3.62Å | ||
| 135 | T | 70.7 | Confident | 68.3 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -62.1 | -30 | -178.7 | 75 | 0 | 0 | 0 | 0 | 111.9 | D133 C137 M138 Q184 L185 K190 L192 | D133-T135 VanDerWaalsContact C-N 3.31Å; D133-T135 VanDerWaalsContact OD1-CB 3.3Å; D133-T135 WeakPolarHBondContact OD1-CB 3.31Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.93Å; T135-C137 PolarHBondContact O-N 2.88Å; T135-C137 VanDerWaalsContact O-N 3.16Å; T135-M138 VanDerWaalsContact O-CB 3.26Å; T135-M138 WeakPolarHBondContact O-CB 3.29Å; T135-M138 PolarHBondContact O-N 2.87Å; T135-M138 VanDerWaalsContact O-N 3.1Å; T135-Q184 HydrophobicContact CG2-CB 3.6Å; T135-L185 HydrophobicContact CG2-CD2 3.99Å; T135-L185 HydrophobicContact CG2-CG 4.25Å; T135-K190 HydrophobicContact CG2-CB 4.05Å; T135-L192 WeakPolarHBondContact O-CD1 3.45Å; T135-L192 PolarHBondContact OG1-N 2.94Å |
| 136 | G | 65.9 | Low | 67.9 | Low | 46 Ų | 46 | 72 Ų | 72 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -61.8 | -20.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | F134 | F134-G136 PolarHBondContact O-N 3.34Š|
| 137 | C | 69.8 | Low | 67.2 | Low | 61 Ų | 61 | 69.3 Ų | 69.3 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -93.6 | 5 | 178.2 | -65.7 | 0 | 0 | 0 | 0 | 113.3 | F134 T135 G139 I140 M141 | F134-C137 PolarHBondContact O-N 3.24Å; T135-C137 PolarHBondContact O-N 2.88Å; T135-C137 VanDerWaalsContact O-N 3.16Å; C137-G139 PolarHBondContact O-N 3.45Å; C137-G139 VanDerWaalsContact O-N 3.13Å; C137-I140 WeakPolarHBondContact O-CB 3.5Å; C137-I140 PolarHBondContact O-N 3.34Å; C137-M141 PolarHBondContact O-N 2.91Å |
| 138 | M | 66.6 | Low | 66.8 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -51.9 | -39.4 | -176.7 | -179 | -176 | -64.9 | 0 | 0 | 113.1 | T135 I140 M141 C142 I181 L185 L192 | T135-M138 VanDerWaalsContact O-CB 3.26Å; T135-M138 WeakPolarHBondContact O-CB 3.29Å; T135-M138 PolarHBondContact O-N 2.87Å; T135-M138 VanDerWaalsContact O-N 3.1Å; M138-I140 PolarHBondContact O-N 2.93Å; M138-M141 PolarHBondContact O-N 3.08Å; M138-C142 WeakPolarHBondContact O-CB 3.16Å; M138-C142 PolarHBondContact O-N 3.12Å; M138-I181 HydrophobicContact CE-CG2 4.37Å; M138-L185 HydrophobicContact CE-CD1 3.26Å; M138-L185 HydrophobicContact CE-CD2 3.37Å; M138-L185 HydrophobicContact CE-CG 3.82Å; M138-L192 HydrophobicContact CB-CD1 4.06Å; M138-L192 HydrophobicContact CE-CB 4.5Å; M138-L192 HydrophobicContact CE-CD1 3.74Å; M138-L192 HydrophobicContact SD-CD1 3.88Å |
| 139 | G | 58.6 | Low | 66.4 | Low | 52 Ų | 52 | 67.9 Ų | 67.9 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C137 C142 V143 | C137-G139 PolarHBondContact O-N 3.45Å; C137-G139 VanDerWaalsContact O-N 3.13Å; G139-C142 PolarHBondContact O-N 2.89Å; G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.32Å |
| 140 | I | 64 | Low | 65.8 | Low | 115 Ų | 115 | 65 Ų | 65 | 59% | 0.59 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 176.6 | -61.9 | 170.7 | 0 | 0 | 0 | 109.5 | C137 M138 C142 V143 V144 | C137-I140 WeakPolarHBondContact O-CB 3.5Å; C137-I140 PolarHBondContact O-N 3.34Å; M138-I140 PolarHBondContact O-N 2.93Å; I140-C142 PolarHBondContact O-N 3.29Å; I140-V143 PolarHBondContact O-N 3.4Å; I140-V144 HydrophobicContact CG2-CG2 4.4Å; I140-V144 WeakPolarHBondContact O-CG2 3.4Å; I140-V144 PolarHBondContact O-N 3.29Å |
| 141 | M | 66.4 | Low | 65 | Low | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.044 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 178 | -65.5 | -64.2 | -71.8 | 0 | 0 | 110.9 | C137 M138 V143 V144 G145 N174 L177 Y178 I181 | C137-M141 PolarHBondContact O-N 2.91Å; M138-M141 PolarHBondContact O-N 3.08Å; M141-V143 VanDerWaalsContact C-N 3.27Å; M141-V143 PolarHBondContact O-N 2.82Å; M141-V144 CarbonylContact O-C 3.56Å; M141-V144 WeakPolarHBondContact O-CA 3.26Å; M141-V144 PolarHBondContact O-N 3.4Å; M141-G145 PolarHBondContact O-N 2.85Å; M141-N174 WeakPolarHBondContact CE-OD1 3.5Å; M141-L177 HydrophobicContact CE-CB 3.82Å; M141-L177 HydrophobicContact CE-CD2 3.62Å; M141-L177 HydrophobicContact CE-CG 3.59Å; M141-L177 HydrophobicContact SD-CD2 3.42Å; M141-L177 WeakPolarHBondContact SD-CD2 3.47Å; M141-L177 HydrophobicContact SD-CG 3.99Å; M141-Y178 HydrophobicContact CB-CD1 4.49Å; M141-Y178 HydrophobicContact CB-CE1 3.72Å; M141-Y178 HydrophobicContact CE-CD1 4.06Å; M141-Y178 HydrophobicContact CE-CD2 3.82Å; M141-Y178 HydrophobicContact CE-CE1 4.06Å; M141-Y178 HydrophobicContact CE-CE2 3.86Å; M141-Y178 HydrophobicContact CE-CG 3.92Å; M141-Y178 PolarHBondContact O-OH 3.48Å; M141-I181 HydrophobicContact CB-CD1 4.45Å; M141-I181 HydrophobicContact CE-CD1 4.23Å; M141-I181 HydrophobicContact CG-CD1 3.59Å; M141-I181 HydrophobicContact SD-CD1 4.45Å |
| 142 | C | 62.8 | Low | 64.4 | Low | 54 Ų | 54 | 59.8 Ų | 59.8 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.3 | -44.2 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | M138 G139 I140 G145 L146 | M138-C142 WeakPolarHBondContact O-CB 3.16Å; M138-C142 PolarHBondContact O-N 3.12Å; G139-C142 PolarHBondContact O-N 2.89Å; I140-C142 PolarHBondContact O-N 3.29Å; C142-G145 PolarHBondContact O-N 2.96Å; C142-L146 WeakPolarHBondContact O-CB 3.13Å; C142-L146 PolarHBondContact O-N 3.1Å |
| 143 | V | 55.1 | Low | 63.9 | Low | 91 Ų | 91 | 55.3 Ų | 55.3 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | G139 I140 M141 G145 L146 V147 | G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.32Å; I140-V143 PolarHBondContact O-N 3.4Å; M141-V143 VanDerWaalsContact C-N 3.27Å; M141-V143 PolarHBondContact O-N 2.82Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.23Å; V143-L146 PolarHBondContact O-N 3.24Å; V143-V147 WeakPolarHBondContact O-CG2 3.09Å; V143-V147 PolarHBondContact O-N 3.46Å |
| 144 | V | 64.6 | Low | 63.1 | Low | 58 Ų | 58 | 57.1 Ų | 57.1 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | I140 M141 V147 L148 N174 | I140-V144 HydrophobicContact CG2-CG2 4.4Å; I140-V144 WeakPolarHBondContact O-CG2 3.4Å; I140-V144 PolarHBondContact O-N 3.29Å; M141-V144 CarbonylContact O-C 3.56Å; M141-V144 WeakPolarHBondContact O-CA 3.26Å; M141-V144 PolarHBondContact O-N 3.4Å; V144-V147 PolarHBondContact O-N 3.37Å; V144-L148 HydrophobicContact CG1-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CG 4.39Å; V144-L148 WeakPolarHBondContact O-CB 3.3Å; V144-L148 VanDerWaalsContact O-CG 3.31Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.38Å; V144-N174 WeakPolarHBondContact CG1-ND2 3.46Å |
| 145 | G | 62.9 | Low | 62.6 | Low | 16 Ų | 16 | 59.8 Ų | 59.8 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M141 C142 V143 L148 F149 Y178 | M141-G145 PolarHBondContact O-N 2.85Å; C142-G145 PolarHBondContact O-N 2.96Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.23Å; G145-L148 PolarHBondContact O-N 2.89Å; G145-F149 VanDerWaalsContact O-CB 3.3Å; G145-F149 WeakPolarHBondContact O-CB 3.17Å; G145-F149 PolarHBondContact O-N 3.03Å; G145-Y178 WeakPolarHBondContact CA-OH 3.43Å; G145-Y178 PolarHBondContact N-OH 3.41Å |
| 146 | L | 60.6 | Low | 61.9 | Low | 78 Ų | 78 | 66.5 Ų | 66.5 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.9 | -173 | 112.3 | 0 | 0 | 0 | 111.6 | C142 V143 F149 L150 | C142-L146 WeakPolarHBondContact O-CB 3.13Å; C142-L146 PolarHBondContact O-N 3.1Å; V143-L146 PolarHBondContact O-N 3.24Å; L146-F149 WeakPolarHBondContact O-CB 3.42Å; L146-F149 PolarHBondContact O-N 3.39Å; L146-L150 HydrophobicContact CD2-CD1 4.16Å; L146-L150 WeakPolarHBondContact O-CG 3.09Å; L146-L150 PolarHBondContact O-N 2.93Å |
| 147 | V | 56.3 | Low | 61.8 | Low | 63 Ų | 63 | 68 Ų | 68 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | V143 V144 F149 L150 F151 | V143-V147 WeakPolarHBondContact O-CG2 3.09Å; V143-V147 PolarHBondContact O-N 3.46Å; V144-V147 PolarHBondContact O-N 3.37Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 2.83Å; V147-L150 PolarHBondContact O-N 3.5Å; V147-L150 VanDerWaalsContact O-N 3.16Å; V147-F151 HydrophobicContact CG1-CD2 3.61Å; V147-F151 HydrophobicContact CG1-CE2 3.59Å; V147-F151 VanDerWaalsContact O-CD2 3.26Å; V147-F151 WeakPolarHBondContact O-CD2 3.04Å; V147-F151 PolarHBondContact O-N 2.93Å |
| 148 | L | 63.3 | Low | 61.4 | Low | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 176.7 | -71.6 | 174.5 | 0 | 0 | 0 | 112.8 | V144 G145 F151 G152 D170 N174 | V144-L148 HydrophobicContact CG1-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CG 4.39Å; V144-L148 WeakPolarHBondContact O-CB 3.3Å; V144-L148 VanDerWaalsContact O-CG 3.31Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.38Å; G145-L148 PolarHBondContact O-N 2.89Å; L148-F151 PolarHBondContact O-N 3.44Å; L148-G152 PolarHBondContact O-N 3.09Å; L148-D170 HydrophobicContact CD2-CB 3.87Å; L148-N174 HydrophobicContact CD1-CB 4.13Å; L148-N174 WeakPolarHBondContact CD1-ND2 3.12Å |
| 149 | F | 62.8 | Low | 61.2 | Low | 56 Ų | 56 | 78.9 Ų | 78.9 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 174.2 | 175.8 | -101 | 0 | 0 | 0 | 111.5 | L65 M69 G145 L146 V147 G152 I153 | L65-F149 HydrophobicContact CD2-CD2 4.1Å; L65-F149 HydrophobicContact CD2-CE2 3.89Å; L65-F149 HydrophobicContact CG-CD2 4.38Å; L65-F149 HydrophobicContact CG-CE2 4Å; M69-F149 HydrophobicContact CB-CE2 4.41Å; G145-F149 VanDerWaalsContact O-CB 3.3Å; G145-F149 WeakPolarHBondContact O-CB 3.17Å; G145-F149 PolarHBondContact O-N 3.03Å; L146-F149 WeakPolarHBondContact O-CB 3.42Å; L146-F149 PolarHBondContact O-N 3.39Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 2.83Å; F149-G152 CarbonylContact O-C 3.55Å; F149-G152 WeakPolarHBondContact O-CA 3.32Å; F149-G152 PolarHBondContact O-N 2.92Å; F149-G152 VanDerWaalsContact O-N 3.12Å; F149-I153 HydrophobicContact CD1-CD1 3.94Å; F149-I153 HydrophobicContact CE1-CD1 3.51Å; F149-I153 HydrophobicContact CE1-CG1 4.41Å; F149-I153 HydrophobicContact CZ-CD1 3.94Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.32Å; F149-I153 PolarHBondContact O-N 3.41Å |
| 150 | L | 61.9 | Low | 61.2 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 48% | 0.482 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.3 | -66.4 | 173.7 | 0 | 0 | 0 | 111.9 | L146 V147 G152 I153 M154 | L146-L150 HydrophobicContact CD2-CD1 4.16Å; L146-L150 WeakPolarHBondContact O-CG 3.09Å; L146-L150 PolarHBondContact O-N 2.93Å; V147-L150 PolarHBondContact O-N 3.5Å; V147-L150 VanDerWaalsContact O-N 3.16Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.95Å; L150-I153 HydrophobicContact CD2-CD1 4.3Å; L150-I153 PolarHBondContact O-N 3.45Å; L150-M154 PolarHBondContact O-N 3.2Å |
| 151 | F | 60.1 | Low | 61.1 | Low | 83 Ų | 83 | 82.2 Ų | 82.2 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 171.3 | -85.3 | -78.2 | 0 | 0 | 0 | 112.5 | V147 L148 I153 M154 I163 | V147-F151 HydrophobicContact CG1-CD2 3.61Å; V147-F151 HydrophobicContact CG1-CE2 3.59Å; V147-F151 VanDerWaalsContact O-CD2 3.26Å; V147-F151 WeakPolarHBondContact O-CD2 3.04Å; V147-F151 PolarHBondContact O-N 2.93Å; L148-F151 PolarHBondContact O-N 3.44Å; F151-I153 VanDerWaalsContact C-N 3.32Å; F151-I153 PolarHBondContact O-N 3.09Å; F151-M154 HydrophobicContact CB-CE 4.27Å; F151-M154 HydrophobicContact CD1-CE 3.16Å; F151-M154 HydrophobicContact CE1-CE 3.51Å; F151-M154 HydrophobicContact CG-CE 3.79Å; F151-M154 HydrophobicContact CZ-CE 4.38Å; F151-M154 WeakPolarHBondContact O-CB 3.09Å; F151-M154 PolarHBondContact O-N 3.42Å; F151-M154 VanDerWaalsContact O-N 3.12Å; F151-I163 HydrophobicContact CD1-CG2 4.1Å |
| 152 | G | 60.3 | Low | 60.8 | Low | 18 Ų | 18 | 92.3 Ų | 92.3 | 19% | 0.186 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.7 | -32.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W62 L148 F149 L150 M154 Y155 | W62-G152 WeakPolarHBondContact CH2-O 3.49Å; L148-G152 PolarHBondContact O-N 3.09Å; F149-G152 CarbonylContact O-C 3.55Å; F149-G152 WeakPolarHBondContact O-CA 3.32Å; F149-G152 PolarHBondContact O-N 2.92Å; F149-G152 VanDerWaalsContact O-N 3.12Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.95Å; G152-M154 VanDerWaalsContact C-N 3.26Å; G152-M154 PolarHBondContact O-N 3.48Å; G152-Y155 WeakPolarHBondContact O-CB 3.35Å; G152-Y155 PolarHBondContact O-N 3.01Å; G152-Y155 VanDerWaalsContact O-N 3.15Å |
| 153 | I | 63 | Low | 60.5 | Low | 85 Ų | 85 | 92.5 Ų | 92.5 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 172.7 | -68 | 161.1 | 0 | 0 | 0 | 111 | F149 L150 F151 Y155 | F149-I153 HydrophobicContact CD1-CD1 3.94Å; F149-I153 HydrophobicContact CE1-CD1 3.51Å; F149-I153 HydrophobicContact CE1-CG1 4.41Å; F149-I153 HydrophobicContact CZ-CD1 3.94Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.32Å; F149-I153 PolarHBondContact O-N 3.41Å; L150-I153 HydrophobicContact CD2-CD1 4.3Å; L150-I153 PolarHBondContact O-N 3.45Å; F151-I153 VanDerWaalsContact C-N 3.32Å; F151-I153 PolarHBondContact O-N 3.09Å; I153-Y155 PolarHBondContact O-N 3Å |
| 154 | M | 57.5 | Low | 60.8 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -73 | -1.8 | 175.6 | -59.8 | -170.2 | -71.8 | 0 | 0 | 113.7 | L150 F151 G152 F156 D157 | L150-M154 PolarHBondContact O-N 3.2Å; F151-M154 HydrophobicContact CB-CE 4.27Å; F151-M154 HydrophobicContact CD1-CE 3.16Å; F151-M154 HydrophobicContact CE1-CE 3.51Å; F151-M154 HydrophobicContact CG-CE 3.79Å; F151-M154 HydrophobicContact CZ-CE 4.38Å; F151-M154 WeakPolarHBondContact O-CB 3.09Å; F151-M154 PolarHBondContact O-N 3.42Å; F151-M154 VanDerWaalsContact O-N 3.12Å; G152-M154 VanDerWaalsContact C-N 3.26Å; G152-M154 PolarHBondContact O-N 3.48Å; M154-F156 PolarHBondContact O-N 3.07Å; M154-F156 VanDerWaalsContact O-N 3.13Å; M154-D157 PolarHBondContact O-N 2.95Å |
| 155 | Y | 60.8 | Low | 60.5 | Low | 109 Ų | 109 | 91.3 Ų | 91.3 | 43% | 0.427 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -60.3 | -23.2 | -179.7 | -173 | -88.3 | 0 | 0 | 0 | 113.9 | W62 G152 I153 D157 R164 | W62-Y155 HydrophobicContact CZ2-CD1 4.34Å; G152-Y155 WeakPolarHBondContact O-CB 3.35Å; G152-Y155 PolarHBondContact O-N 3.01Å; G152-Y155 VanDerWaalsContact O-N 3.15Å; I153-Y155 PolarHBondContact O-N 3Å; Y155-D157 PolarHBondContact O-N 3.47Å; Y155-R164 HydrophobicContact CD2-CG 3.95Å; Y155-R164 HydrophobicContact CE2-CG 3.41Å; Y155-R164 VanDerWaalsContact CE2-CG 3.41Å; Y155-R164 PolarHBondContact O-NH2 3.44Å |
| 156 | F | 56.9 | Low | 60.5 | Low | 141 Ų | 141 | 93.6 Ų | 93.6 | 62% | 0.618 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -70.6 | -12.5 | -178.4 | -74.5 | -80.1 | 0 | 0 | 0 | 114.6 | W62 M154 D158 | W62-F156 AromaticContact CD1-CZ 3.65Å; W62-F156 HydrophobicContact CD2-CE2 4.32Å; W62-F156 HydrophobicContact CD2-CZ 4.39Å; W62-F156 AromaticContact CE2-CZ 3.96Å; W62-F156 HydrophobicContact CG-CE2 4.48Å; W62-F156 HydrophobicContact CG-CZ 4.2Å; W62-F156 HydrophobicContact CZ2-CE2 4.45Å; W62-F156 AromaticContact NE1-CZ 3.46Å; M154-F156 PolarHBondContact O-N 3.07Å; M154-F156 VanDerWaalsContact O-N 3.13Å; F156-D158 PolarHBondContact O-N 3.32Å |
| 157 | D | 63.1 | Low | 60.6 | Low | 78 Ų | 78 | 91.2 Ų | 91.2 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | trans | -90.2 | 106.7 | 175.2 | -164.9 | -10.2 | 0 | 0 | 0 | 111.1 | M154 Y155 R159 L160 | M154-D157 PolarHBondContact O-N 2.95Å; Y155-D157 PolarHBondContact O-N 3.47Å; D157-R159 PolarHBondContact O-N 2.88Å; D157-R159 VanDerWaalsContact O-N 3.09Å; D157-R159 WeakPolarHBondContact OD1-CB 3.47Å; D157-R159 PolarHBondContact OD1-N 3.04Å; D157-L160 HydrophobicContact CB-CD1 4.06Å; D157-L160 HydrophobicContact CB-CG 4.26Å; D157-L160 PolarHBondContact O-N 3.4Å; D157-L160 VanDerWaalsContact O-N 3.09Å | ||
| 158 | D | 62.9 | Low | 60.8 | Low | 121 Ų | 121 | 90.3 Ų | 90.3 | 65% | 0.647 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -60.8 | -15.3 | 174.9 | -83 | -35.2 | 0 | 0 | 0 | 113.7 | F156 L160 R164 | F156-D158 PolarHBondContact O-N 3.32Å; D158-L160 PolarHBondContact O-N 3.21Å; D158-R164 IonicContact OD1-CZ 3.56Å; D158-R164 IonicContact OD1-NH1 3.61Å; D158-R164 PolarHBondContact OD1-NH1 3.4Å; D158-R164 IonicContact OD1-NH2 2.77Å; D158-R164 PolarHBondContact OD1-NH2 3.3Å |
| 159 | R | 61.4 | Low | 60.6 | Low | 218 Ų | 218 | 93.9 Ų | 93.9 | 82% | 0.823 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -71 | -16.9 | 176.1 | -149.2 | 178.1 | -70.6 | -123.6 | 2.6 | 112.6 | D157 | D157-R159 PolarHBondContact O-N 2.88Å; D157-R159 VanDerWaalsContact O-N 3.09Å; D157-R159 WeakPolarHBondContact OD1-CB 3.47Å; D157-R159 PolarHBondContact OD1-N 3.04Å |
| 160 | L | 59.4 | Low | 60.7 | Low | 58 Ų | 58 | 95.5 Ų | 95.5 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -106.7 | 41.8 | -173.3 | -59.8 | 175.1 | 0 | 0 | 0 | 113.3 | D157 D158 W162 I163 R164 | D157-L160 HydrophobicContact CB-CD1 4.06Å; D157-L160 HydrophobicContact CB-CG 4.26Å; D157-L160 PolarHBondContact O-N 3.4Å; D157-L160 VanDerWaalsContact O-N 3.09Å; D158-L160 PolarHBondContact O-N 3.21Å; L160-W162 PolarHBondContact O-N 2.96Å; L160-W162 VanDerWaalsContact O-N 3.15Å; L160-I163 HydrophobicContact CB-CB 4.14Å; L160-I163 HydrophobicContact CB-CD1 4.16Å; L160-I163 HydrophobicContact CB-CG1 4.29Å; L160-I163 HydrophobicContact CD1-CD1 4.1Å; L160-I163 HydrophobicContact CD2-CD1 3.85Å; L160-I163 HydrophobicContact CG-CD1 4.25Å; L160-I163 PolarHBondContact O-N 3Å; L160-R164 PolarHBondContact O-N 2.92Å |
| 161 | R | 61.1 | Low | 60.8 | Low | 180 Ų | 180 | 95.6 Ų | 95.6 | 68% | 0.679 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -54.9 | -34.1 | -179.2 | -166.4 | -179.5 | -64.5 | -143.3 | 0.5 | 113.8 | R164 S165 | R161-R164 WeakPolarHBondContact O-CB 3.29Å; R161-R164 PolarHBondContact O-N 3.31Å; R161-S165 PolarHBondContact O-N 2.85Å |
| 162 | W | 59.1 | Low | 61 | Low | 221 Ų | 221 | 94.1 Ų | 94.1 | 84% | 0.837 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 176.5 | -58.6 | 107.4 | 0 | 0 | 0 | 112.2 | L160 R164 S165 S166 | L160-W162 PolarHBondContact O-N 2.96Å; L160-W162 VanDerWaalsContact O-N 3.15Å; W162-R164 VanDerWaalsContact C-N 3.27Å; W162-R164 PolarHBondContact O-N 3.35Å; W162-S165 PolarHBondContact O-N 3.42Å; W162-S166 PolarHBondContact O-N 3.5Å; W162-S166 VanDerWaalsContact O-N 3.11Å; W162-S166 PolarHBondContact O-OG 2.99Å |
| 163 | I | 58 | Low | 61.3 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 30% | 0.297 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 175.8 | -59 | -174.6 | 0 | 0 | 0 | 109.8 | F151 L160 S165 S166 C167 | F151-I163 HydrophobicContact CD1-CG2 4.1Å; L160-I163 HydrophobicContact CB-CB 4.14Å; L160-I163 HydrophobicContact CB-CD1 4.16Å; L160-I163 HydrophobicContact CB-CG1 4.29Å; L160-I163 HydrophobicContact CD1-CD1 4.1Å; L160-I163 HydrophobicContact CD2-CD1 3.85Å; L160-I163 HydrophobicContact CG-CD1 4.25Å; L160-I163 PolarHBondContact O-N 3Å; I163-S165 PolarHBondContact O-N 3.3Å; I163-S166 PolarHBondContact O-N 3.04Å; I163-C167 VanDerWaalsContact O-CB 3.27Å; I163-C167 WeakPolarHBondContact O-CB 3.19Å; I163-C167 PolarHBondContact O-N 3.46Å; I163-C167 PolarHBondContact O-SG 3.2Å |
| 164 | R | 60.3 | Low | 61.7 | Low | 53 Ų | 53 | 97 Ų | 97 | 20% | 0.2 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -54.9 | -48.9 | 175.7 | -167.8 | 176.7 | -67.4 | 159.7 | -0.6 | 112.3 | Y155 D158 L160 R161 W162 L168 | Y155-R164 HydrophobicContact CD2-CG 3.95Å; Y155-R164 HydrophobicContact CE2-CG 3.41Å; Y155-R164 VanDerWaalsContact CE2-CG 3.41Å; Y155-R164 PolarHBondContact O-NH2 3.44Å; D158-R164 IonicContact OD1-CZ 3.56Å; D158-R164 IonicContact OD1-NH1 3.61Å; D158-R164 PolarHBondContact OD1-NH1 3.4Å; D158-R164 IonicContact OD1-NH2 2.77Å; D158-R164 PolarHBondContact OD1-NH2 3.3Å; L160-R164 PolarHBondContact O-N 2.92Å; R161-R164 WeakPolarHBondContact O-CB 3.29Å; R161-R164 PolarHBondContact O-N 3.31Å; W162-R164 VanDerWaalsContact C-N 3.27Å; W162-R164 PolarHBondContact O-N 3.35Å; R164-L168 VanDerWaalsContact O-CG 3.32Å; R164-L168 WeakPolarHBondContact O-CG 3.36Å; R164-L168 PolarHBondContact O-N 3.25Å |
| 165 | S | 59.8 | Low | 62.4 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.5 | -40.9 | -179.3 | -62 | 0 | 0 | 0 | 0 | 112.9 | R161 W162 I163 L168 L169 | R161-S165 PolarHBondContact O-N 2.85Å; W162-S165 PolarHBondContact O-N 3.42Å; I163-S165 PolarHBondContact O-N 3.3Å; S165-L168 PolarHBondContact O-N 3.4Å; S165-L169 PolarHBondContact O-N 3.05Å |
| 166 | S | 62.7 | Low | 63 | Low | 63 Ų | 63 | 93 Ų | 93 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 179 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | W162 I163 L168 L169 D170 | W162-S166 PolarHBondContact O-N 3.5Å; W162-S166 VanDerWaalsContact O-N 3.11Å; W162-S166 PolarHBondContact O-OG 2.99Å; I163-S166 PolarHBondContact O-N 3.04Å; S166-L168 PolarHBondContact O-N 3.44Å; S166-L169 WeakPolarHBondContact O-CA 3.31Å; S166-L169 WeakPolarHBondContact O-CB 3.26Å; S166-L169 PolarHBondContact O-N 3.04Å; S166-D170 PolarHBondContact O-N 3.47Å; S166-D170 VanDerWaalsContact O-N 3.08Å |
| 167 | C | 61.8 | Low | 63.9 | Low | 28 Ų | 28 | 89.2 Ų | 89.2 | 19% | 0.189 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -32.5 | 176.4 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | I163 L169 R171 | I163-C167 VanDerWaalsContact O-CB 3.27Å; I163-C167 WeakPolarHBondContact O-CB 3.19Å; I163-C167 PolarHBondContact O-N 3.46Å; I163-C167 PolarHBondContact O-SG 3.2Å; C167-L169 VanDerWaalsContact C-N 3.33Å; C167-R171 VanDerWaalsContact O-CB 3.29Å; C167-R171 WeakPolarHBondContact O-CB 3.46Å; C167-R171 PolarHBondContact O-N 3.21Å; C167-R171 VanDerWaalsContact O-N 3.12Å |
| 168 | L | 60.9 | Low | 64.7 | Low | 45 Ų | 45 | 87.2 Ų | 87.2 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 172.6 | -70.6 | 175.9 | 0 | 0 | 0 | 111 | R164 S165 S166 K172 | R164-L168 VanDerWaalsContact O-CG 3.32Å; R164-L168 WeakPolarHBondContact O-CG 3.36Å; R164-L168 PolarHBondContact O-N 3.25Å; S165-L168 PolarHBondContact O-N 3.4Å; S166-L168 PolarHBondContact O-N 3.44Å; L168-K172 VanDerWaalsContact O-CD 3.3Å; L168-K172 WeakPolarHBondContact O-CD 3.47Å; L168-K172 WeakPolarHBondContact O-CE 3.41Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 3.03Å |
| 169 | L | 59.6 | Low | 65.6 | Low | 106 Ų | 106 | 81.6 Ų | 81.6 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.4 | -48.3 | 178.3 | -71.3 | 169.5 | 0 | 0 | 0 | 112.3 | S165 S166 C167 R171 K172 | S165-L169 PolarHBondContact O-N 3.05Å; S166-L169 WeakPolarHBondContact O-CA 3.31Å; S166-L169 WeakPolarHBondContact O-CB 3.26Å; S166-L169 PolarHBondContact O-N 3.04Å; C167-L169 VanDerWaalsContact C-N 3.33Å; L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.74Å; L169-K172 HydrophobicContact CD2-CD 4.11Å; L169-K172 WeakPolarHBondContact O-CB 3.14Å; L169-K172 PolarHBondContact O-N 2.84Å |
| 170 | D | 63.5 | Low | 66.5 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | -178.1 | -62.8 | -34 | 0 | 0 | 0 | 112 | L148 S166 K172 N174 | L148-D170 HydrophobicContact CD2-CB 3.87Å; S166-D170 PolarHBondContact O-N 3.47Å; S166-D170 VanDerWaalsContact O-N 3.08Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 2.89Å; D170-N174 WeakPolarHBondContact O-CB 3.37Å; D170-N174 PolarHBondContact O-N 3.46Å |
| 171 | R | 64.5 | Low | 67.4 | Low | 94 Ų | 94 | 68.9 Ų | 68.9 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -34 | 179 | -169.9 | 175.6 | -179.1 | 177.5 | 5.2 | 113 | C167 L169 N175 | C167-R171 VanDerWaalsContact O-CB 3.29Å; C167-R171 WeakPolarHBondContact O-CB 3.46Å; C167-R171 PolarHBondContact O-N 3.21Å; C167-R171 VanDerWaalsContact O-N 3.12Å; L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.74Å; R171-N175 WeakPolarHBondContact O-CB 3.32Å; R171-N175 PolarHBondContact O-N 2.96Å; R171-N175 VanDerWaalsContact O-N 3.1Å |
| 172 | K | 64.9 | Low | 68.3 | Low | 51 Ų | 51 | 60.6 Ų | 60.6 | 22% | 0.222 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -50.3 | -178 | -63.1 | 157.3 | -168.4 | -143.9 | 0 | 112 | L168 L169 D170 N174 N175 Y216 | L168-K172 VanDerWaalsContact O-CD 3.3Å; L168-K172 WeakPolarHBondContact O-CD 3.47Å; L168-K172 WeakPolarHBondContact O-CE 3.41Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 3.03Å; L169-K172 HydrophobicContact CD2-CD 4.11Å; L169-K172 WeakPolarHBondContact O-CB 3.14Å; L169-K172 PolarHBondContact O-N 2.84Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 2.89Å; K172-N174 VanDerWaalsContact C-N 3.32Å; K172-N175 PolarHBondContact O-N 2.94Å; K172-Y216 HydrophobicContact CB-CD1 4.3Å; K172-Y216 HydrophobicContact CB-CE1 4Å; K172-Y216 HydrophobicContact CD-CD2 3.97Å; K172-Y216 HydrophobicContact CD-CE1 3.86Å; K172-Y216 HydrophobicContact CD-CE2 3.26Å; K172-Y216 WeakPolarHBondContact CD-OH 3.45Å; K172-Y216 WeakPolarHBondContact CE-OH 3.37Å; K172-Y216 HydrophobicContact CG-CD1 3.79Å; K172-Y216 HydrophobicContact CG-CD2 3.46Å; K172-Y216 VanDerWaalsContact CG-CD2 3.46Å; K172-Y216 HydrophobicContact CG-CE1 3.51Å; K172-Y216 HydrophobicContact CG-CE2 3.29Å; K172-Y216 HydrophobicContact CG-CG 3.74Å; K172-Y216 PolarHBondContact NZ-OH 2.69Å |
| 173 | M | 66.5 | Low | 69.1 | Low | 147 Ų | 147 | 50.6 Ų | 50.6 | 72% | 0.724 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.4 | -39.5 | -175.5 | -169.4 | 166.9 | 69.4 | 0 | 0 | 110 | N175 L177 | M173-N175 PolarHBondContact O-N 3.29Å; M173-L177 PolarHBondContact O-N 3.46Å |
| 174 | N | 71.4 | Confident | 70.1 | Confident | 18 Ų | 18 | 48 Ų | 48 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 179 | -150.4 | 34.2 | 0 | 0 | 0 | 112.1 | M141 V144 L148 D170 K172 Q176 L177 Y178 | M141-N174 WeakPolarHBondContact CE-OD1 3.5Å; V144-N174 WeakPolarHBondContact CG1-ND2 3.46Å; L148-N174 HydrophobicContact CD1-CB 4.13Å; L148-N174 WeakPolarHBondContact CD1-ND2 3.12Å; D170-N174 WeakPolarHBondContact O-CB 3.37Å; D170-N174 PolarHBondContact O-N 3.46Å; K172-N174 VanDerWaalsContact C-N 3.32Å; N174-Q176 PolarHBondContact O-N 3.07Å; N174-L177 PolarHBondContact O-N 3.03Å; N174-Y178 HydrophobicContact CB-CD2 4.49Å; N174-Y178 HydrophobicContact CB-CE2 4.4Å; N174-Y178 WeakPolarHBondContact ND2-CE2 2.97Å; N174-Y178 WeakPolarHBondContact O-CD2 3.13Å; N174-Y178 PolarHBondContact O-N 3.12Å |
| 175 | N | 71 | Confident | 70.7 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -31.6 | -175.7 | -156.9 | 89.8 | 0 | 0 | 0 | 114 | R171 K172 M173 L179 D209 Y212 I213 | R171-N175 WeakPolarHBondContact O-CB 3.32Å; R171-N175 PolarHBondContact O-N 2.96Å; R171-N175 VanDerWaalsContact O-N 3.1Å; K172-N175 PolarHBondContact O-N 2.94Å; M173-N175 PolarHBondContact O-N 3.29Å; N175-L179 PolarHBondContact O-N 3.16Å; N175-L179 VanDerWaalsContact O-N 3.07Å; N175-D209 PolarHBondContact ND2-O 3.44Å; N175-Y212 WeakPolarHBondContact OD1-CB 3.47Å; N175-I213 WeakPolarHBondContact ND2-CG1 3.4Å |
| 176 | Q | 73.5 | Confident | 71.3 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.5 | -35.2 | 173.5 | -67.9 | -175.8 | -4.3 | 0 | 0 | 111.8 | N174 L179 A180 | N174-Q176 PolarHBondContact O-N 3.07Å; Q176-L179 PolarHBondContact O-N 3.38Å; Q176-A180 PolarHBondContact O-N 3.45Å; Q176-A180 VanDerWaalsContact O-N 3.08Å |
| 177 | L | 77.7 | Confident | 71.8 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71 | -38.5 | 175.4 | -178.7 | 58.3 | 0 | 0 | 0 | 111.5 | F134 M141 M173 N174 L179 A180 I181 | F134-L177 HydrophobicContact CD1-CD1 3.85Å; F134-L177 HydrophobicContact CE1-CD1 4.24Å; F134-L177 HydrophobicContact CG-CD1 4.22Å; M141-L177 HydrophobicContact CE-CB 3.82Å; M141-L177 HydrophobicContact CE-CD2 3.62Å; M141-L177 HydrophobicContact CE-CG 3.59Å; M141-L177 HydrophobicContact SD-CD2 3.42Å; M141-L177 WeakPolarHBondContact SD-CD2 3.47Å; M141-L177 HydrophobicContact SD-CG 3.99Å; M173-L177 PolarHBondContact O-N 3.46Å; N174-L177 PolarHBondContact O-N 3.03Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-A180 PolarHBondContact O-N 3.44Å; L177-I181 HydrophobicContact CD1-CD1 4.36Å; L177-I181 HydrophobicContact CG-CD1 4.11Å; L177-I181 VanDerWaalsContact O-CG1 3.32Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 3.1Å |
| 178 | Y | 79.8 | Confident | 72.1 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 169.8 | -81.5 | -67 | 0 | 0 | 0 | 111.5 | M141 G145 N174 A180 I181 D182 D209 | M141-Y178 HydrophobicContact CB-CD1 4.49Å; M141-Y178 HydrophobicContact CB-CE1 3.72Å; M141-Y178 HydrophobicContact CE-CD1 4.06Å; M141-Y178 HydrophobicContact CE-CD2 3.82Å; M141-Y178 HydrophobicContact CE-CE1 4.06Å; M141-Y178 HydrophobicContact CE-CE2 3.86Å; M141-Y178 HydrophobicContact CE-CG 3.92Å; M141-Y178 PolarHBondContact O-OH 3.48Å; G145-Y178 WeakPolarHBondContact CA-OH 3.43Å; G145-Y178 PolarHBondContact N-OH 3.41Å; N174-Y178 HydrophobicContact CB-CD2 4.49Å; N174-Y178 HydrophobicContact CB-CE2 4.4Å; N174-Y178 WeakPolarHBondContact ND2-CE2 2.97Å; N174-Y178 WeakPolarHBondContact O-CD2 3.13Å; N174-Y178 PolarHBondContact O-N 3.12Å; Y178-A180 VanDerWaalsContact C-N 3.26Å; Y178-A180 PolarHBondContact O-N 2.9Å; Y178-I181 CarbonylContact O-C 3.55Å; Y178-I181 WeakPolarHBondContact O-CA 3.28Å; Y178-I181 WeakPolarHBondContact O-CB 3.12Å; Y178-I181 PolarHBondContact O-N 3.22Å; Y178-D182 WeakPolarHBondContact O-CB 3.48Å; Y178-D182 PolarHBondContact O-N 3.22Å; Y178-D209 WeakPolarHBondContact CB-OD2 3.3Å |
| 179 | L | 81.2 | Confident | 72.3 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 178.6 | -177.6 | 67 | 0 | 0 | 0 | 111.4 | C120 V123 N175 Q176 L177 I181 V183 L206 D209 I213 | C120-L179 HydrophobicContact CB-CD2 4.01Å; V123-L179 HydrophobicContact CB-CD2 3.93Å; V123-L179 HydrophobicContact CB-CG 4.46Å; V123-L179 HydrophobicContact CG1-CB 4.07Å; V123-L179 HydrophobicContact CG1-CD2 3.92Å; V123-L179 HydrophobicContact CG1-CG 3.91Å; N175-L179 PolarHBondContact O-N 3.16Å; N175-L179 VanDerWaalsContact O-N 3.07Å; Q176-L179 PolarHBondContact O-N 3.38Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L179-I181 VanDerWaalsContact C-N 3.35Å; L179-V183 HydrophobicContact CD1-CG2 4.22Å; L179-V183 HydrophobicContact CG-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CB 3.29Å; L179-V183 WeakPolarHBondContact O-CB 3.38Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.06Å; L179-L206 HydrophobicContact CD1-CD2 3.83Å; L179-D209 WeakPolarHBondContact CA-OD2 3.47Å; L179-D209 HydrophobicContact CB-CB 4.25Å; L179-D209 HydrophobicContact CD1-CB 4.04Å; L179-D209 PolarHBondContact N-OD2 3.14Å; L179-I213 HydrophobicContact CB-CD1 4.39Å; L179-I213 HydrophobicContact CD2-CD1 3.62Å |
| 180 | A | 80.6 | Confident | 73 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V123 A127 Q176 L177 Y178 Q184 | V123-A180 HydrophobicContact CG1-CB 3.84Å; A127-A180 HydrophobicContact CB-CB 4.3Å; Q176-A180 PolarHBondContact O-N 3.45Å; Q176-A180 VanDerWaalsContact O-N 3.08Å; L177-A180 PolarHBondContact O-N 3.44Å; Y178-A180 VanDerWaalsContact C-N 3.26Å; Y178-A180 PolarHBondContact O-N 2.9Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.41Å |
| 181 | I | 77.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -49.1 | 177.2 | -70.3 | 166.3 | 0 | 0 | 0 | 110.6 | F134 M138 M141 L177 Y178 L179 V183 Q184 L185 | F134-I181 HydrophobicContact CB-CD1 4.44Å; F134-I181 HydrophobicContact CB-CG1 3.62Å; M138-I181 HydrophobicContact CE-CG2 4.37Å; M141-I181 HydrophobicContact CB-CD1 4.45Å; M141-I181 HydrophobicContact CE-CD1 4.23Å; M141-I181 HydrophobicContact CG-CD1 3.59Å; M141-I181 HydrophobicContact SD-CD1 4.45Å; L177-I181 HydrophobicContact CD1-CD1 4.36Å; L177-I181 HydrophobicContact CG-CD1 4.11Å; L177-I181 VanDerWaalsContact O-CG1 3.32Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 3.1Å; Y178-I181 CarbonylContact O-C 3.55Å; Y178-I181 WeakPolarHBondContact O-CA 3.28Å; Y178-I181 WeakPolarHBondContact O-CB 3.12Å; Y178-I181 PolarHBondContact O-N 3.22Å; L179-I181 VanDerWaalsContact C-N 3.35Å; I181-V183 VanDerWaalsContact C-N 3.3Å; I181-V183 PolarHBondContact O-N 2.85Å; I181-Q184 CarbonylContact O-C 3.55Å; I181-Q184 WeakPolarHBondContact O-CA 3.39Å; I181-Q184 WeakPolarHBondContact O-CB 2.96Å; I181-Q184 PolarHBondContact O-N 2.91Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.21Å; I181-L185 VanDerWaalsContact O-CG 3.3Å; I181-L185 WeakPolarHBondContact O-CG 3.14Å; I181-L185 PolarHBondContact O-N 3.09Å |
| 182 | D | 79.5 | Confident | 73.2 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | -179.4 | -77.3 | -9.1 | 0 | 0 | 0 | 110.9 | Y178 L185 V186 Q205 L206 | Y178-D182 WeakPolarHBondContact O-CB 3.48Å; Y178-D182 PolarHBondContact O-N 3.22Å; D182-L185 PolarHBondContact O-N 2.9Å; D182-V186 WeakPolarHBondContact O-CB 3.05Å; D182-V186 WeakPolarHBondContact O-CG2 3.38Å; D182-V186 PolarHBondContact O-N 3.38Å; D182-Q205 PolarHBondContact OD1-NE2 2.88Å; D182-Q205 VanDerWaalsContact OD1-NE2 3.12Å; D182-Q205 WeakPolarHBondContact OD2-CB 3.4Å; D182-L206 HydrophobicContact CB-CD2 3.82Å; D182-L206 HydrophobicContact CB-CG 4.43Å |
| 183 | V | 76.4 | Confident | 73.4 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 171.2 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | A127 L179 I181 L185 V186 I187 L206 | A127-V183 HydrophobicContact CB-CB 4Å; A127-V183 HydrophobicContact CB-CG1 3.71Å; L179-V183 HydrophobicContact CD1-CG2 4.22Å; L179-V183 HydrophobicContact CG-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CB 3.29Å; L179-V183 WeakPolarHBondContact O-CB 3.38Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.06Å; I181-V183 VanDerWaalsContact C-N 3.3Å; I181-V183 PolarHBondContact O-N 2.85Å; V183-L185 PolarHBondContact O-N 3.47Å; V183-V186 PolarHBondContact O-N 3.48Å; V183-I187 HydrophobicContact CG1-CD1 3.34Å; V183-I187 HydrophobicContact CG1-CG1 4.26Å; V183-I187 VanDerWaalsContact O-CD1 3.28Å; V183-I187 WeakPolarHBondContact O-CD1 3.3Å; V183-I187 VanDerWaalsContact O-CG1 3.24Å; V183-I187 WeakPolarHBondContact O-CG1 3.22Å; V183-I187 PolarHBondContact O-N 2.98Å; V183-L206 HydrophobicContact CG2-CD2 3.75Å |
| 184 | Q | 79.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 177.1 | -75.8 | -172.3 | -15.4 | 0 | 0 | 113.1 | A127 T130 Y132 T135 A180 I181 V186 G188 | A127-Q184 HydrophobicContact CB-CG 4.16Å; A127-Q184 PolarHBondContact O-NE2 2.84Å; T130-Q184 VanDerWaalsContact CG2-NE2 3.27Å; Y132-Q184 PolarHBondContact O-NE2 3.05Å; T135-Q184 HydrophobicContact CG2-CB 3.6Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.41Å; I181-Q184 CarbonylContact O-C 3.55Å; I181-Q184 WeakPolarHBondContact O-CA 3.39Å; I181-Q184 WeakPolarHBondContact O-CB 2.96Å; I181-Q184 PolarHBondContact O-N 2.91Å; Q184-V186 VanDerWaalsContact C-N 3.33Å; Q184-G188 PolarHBondContact O-N 3.35Å |
| 185 | L | 73.3 | Confident | 73.2 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 175.4 | -71.1 | 171.4 | 0 | 0 | 0 | 112.5 | T135 M138 I181 D182 V183 L192 I194 | T135-L185 HydrophobicContact CG2-CD2 3.99Å; T135-L185 HydrophobicContact CG2-CG 4.25Å; M138-L185 HydrophobicContact CE-CD1 3.26Å; M138-L185 HydrophobicContact CE-CD2 3.37Å; M138-L185 HydrophobicContact CE-CG 3.82Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.21Å; I181-L185 VanDerWaalsContact O-CG 3.3Å; I181-L185 WeakPolarHBondContact O-CG 3.14Å; I181-L185 PolarHBondContact O-N 3.09Å; D182-L185 PolarHBondContact O-N 2.9Å; V183-L185 PolarHBondContact O-N 3.47Å; L185-L192 HydrophobicContact CD2-CB 3.65Å; L185-L192 WeakPolarHBondContact CD2-O 3.44Å; L185-I194 HydrophobicContact CB-CD1 3.77Å; L185-I194 HydrophobicContact CB-CG1 4Å; L185-I194 HydrophobicContact CD1-CD1 4.37Å; L185-I194 PolarHBondContact O-N 3.13Å |
| 186 | V | 72.4 | Confident | 72.8 | Confident | 68 Ų | 68 | 54.3 Ų | 54.3 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.4 | -41.6 | 179.3 | 174 | 0 | 0 | 0 | 0 | 111.5 | D182 V183 Q184 G188 A202 L206 | D182-V186 WeakPolarHBondContact O-CB 3.05Å; D182-V186 WeakPolarHBondContact O-CG2 3.38Å; D182-V186 PolarHBondContact O-N 3.38Å; V183-V186 PolarHBondContact O-N 3.48Å; Q184-V186 VanDerWaalsContact C-N 3.33Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-A202 HydrophobicContact CG2-CB 3.68Å; V186-L206 HydrophobicContact CG2-CD1 3.79Å; V186-L206 HydrophobicContact CG2-CG 4.17Å |
| 187 | I | 72.3 | Confident | 72.3 | Confident | 90 Ų | 90 | 54.4 Ų | 54.4 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.6 | -34 | 179.1 | -66.4 | 157.3 | 0 | 0 | 0 | 111.2 | M128 V183 | M128-I187 HydrophobicContact CB-CD1 4.12Å; M128-I187 HydrophobicContact CG-CD1 3.22Å; M128-I187 HydrophobicContact CG-CG1 4.28Å; V183-I187 HydrophobicContact CG1-CD1 3.34Å; V183-I187 HydrophobicContact CG1-CG1 4.26Å; V183-I187 VanDerWaalsContact O-CD1 3.28Å; V183-I187 WeakPolarHBondContact O-CD1 3.3Å; V183-I187 VanDerWaalsContact O-CG1 3.24Å; V183-I187 WeakPolarHBondContact O-CG1 3.22Å; V183-I187 PolarHBondContact O-N 2.98Å |
| 188 | G | 67.4 | Low | 71.8 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | 74.4 | -172.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q184 V186 | Q184-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact C-N 3.32Å | ||
| 189 | G | 67 | Low | 71 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | trans | 79.1 | 16.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | E193 | G189-E193 PolarHBondContact N-OE2 3.46Š| ||
| 190 | K | 73.6 | Confident | 70 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -122.9 | -174.2 | 173.6 | -62.1 | -59.1 | -175.1 | -179.2 | 0 | 109.8 | T130 K131 D133 T135 L192 | T130-K190 PolarHBondContact O-NZ 3.43Å; T130-K190 VanDerWaalsContact O-NZ 3.07Å; K131-K190 PolarHBondContact O-NZ 3.41Å; D133-K190 HydrophobicContact CB-CD 4.1Å; T135-K190 HydrophobicContact CG2-CB 4.05Å; K190-L192 PolarHBondContact O-N 3.3Å |
| 191 | R | 67.8 | Low | 69.3 | Low | 208 Ų | 208 | 60.2 Ų | 60.2 | 79% | 0.785 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -62 | -38.2 | -176.7 | -77.6 | 174.8 | -178.2 | -154.5 | 1.7 | 114.3 | D133 | D133-R191 WeakPolarHBondContact OD2-CB 3.5Å; D133-R191 WeakPolarHBondContact OD2-CG 3.35Å; D133-R191 PolarHBondContact OD2-N 3.07Å |
| 192 | L | 63.8 | Low | 68.6 | Low | 79 Ų | 79 | 60.3 Ų | 60.3 | 41% | 0.414 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -115.7 | 133.5 | 172.9 | -59.8 | 172.8 | 0 | 0 | 0 | 108 | T135 M138 L185 K190 | T135-L192 WeakPolarHBondContact O-CD1 3.45Å; T135-L192 PolarHBondContact OG1-N 2.94Å; M138-L192 HydrophobicContact CB-CD1 4.06Å; M138-L192 HydrophobicContact CE-CB 4.5Å; M138-L192 HydrophobicContact CE-CD1 3.74Å; M138-L192 HydrophobicContact SD-CD1 3.88Å; L185-L192 HydrophobicContact CD2-CB 3.65Å; L185-L192 WeakPolarHBondContact CD2-O 3.44Å; K190-L192 PolarHBondContact O-N 3.3Å |
| 193 | E | 70.1 | Confident | 68.1 | Low | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | trans | -139 | 146.4 | 174.6 | 61.3 | -173.8 | -168.5 | 0 | 0 | 109 | G189 | G189-E193 PolarHBondContact N-OE2 3.46Š| ||
| 194 | I | 67.1 | Low | 67.5 | Low | 31 Ų | 31 | 62.8 Ų | 62.8 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | trans | -83.1 | 129 | 176.6 | -68.4 | 168.4 | 0 | 0 | 0 | 107.7 | L185 D198 F201 A202 Q205 | L185-I194 HydrophobicContact CB-CD1 3.77Å; L185-I194 HydrophobicContact CB-CG1 4Å; L185-I194 HydrophobicContact CD1-CD1 4.37Å; L185-I194 PolarHBondContact O-N 3.13Å; I194-D198 HydrophobicContact CG2-CB 3.54Å; I194-F201 HydrophobicContact CD1-CD1 4.25Å; I194-F201 HydrophobicContact CD1-CE1 4.49Å; I194-A202 HydrophobicContact CD1-CB 3.73Å; I194-A202 HydrophobicContact CG2-CB 4.13Å; I194-Q205 VanDerWaalsContact CD1-OE1 3.3Å | ||
| 195 | S | 65 | Low | 67.1 | Low | 54 Ų | 54 | 63 Ų | 63 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | trans | -58.7 | 140.5 | 174.9 | -175 | 0 | 0 | 0 | 0 | 109.6 | E197 D198 | S195-E197 PolarHBondContact O-N 2.99Å; S195-D198 WeakPolarHBondContact O-CB 3.24Å; S195-D198 PolarHBondContact O-N 2.76Å | ||
| 196 | P | 64.1 | Low | 67.2 | Low | 106 Ų | 106 | 64.7 Ų | 64.7 | 69% | 0.688 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -54 | -25.3 | 177.9 | -27 | 34.4 | 0 | 0 | 0 | 113.9 | D198 | P196-D198 PolarHBondContact O-N 3.26Š|
| 197 | E | 62.4 | Low | 67.3 | Low | 99 Ų | 99 | 64.4 Ų | 64.4 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -62.9 | -20.3 | 174.8 | -59.2 | -173 | -174.4 | 0 | 0 | 113.4 | R83 S195 | R83-E197 IonicContact NH2-OE2 2.8Å; R83-E197 PolarHBondContact NH2-OE2 2.94Å; S195-E197 PolarHBondContact O-N 2.99Å |
| 198 | D | 66.2 | Low | 67.1 | Low | 14 Ų | 14 | 60.4 Ų | 60.4 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -107 | 23.3 | -172 | -62 | -36.8 | 0 | 0 | 0 | 112.8 | R82 I194 S195 P196 V200 F201 A202 | R82-D198 WeakPolarHBondContact CD-OD1 3.48Å; R82-D198 WeakPolarHBondContact CD-OD2 3.34Å; R82-D198 HydrophobicContact CG-CB 4.4Å; R82-D198 WeakPolarHBondContact CG-OD1 3.29Å; R82-D198 IonicContact CZ-OD2 3.77Å; R82-D198 IonicContact NE-OD2 2.63Å; R82-D198 IonicContact NH1-OD2 2.7Å; R82-D198 PolarHBondContact NH1-OD2 3.25Å; I194-D198 HydrophobicContact CG2-CB 3.54Å; S195-D198 WeakPolarHBondContact O-CB 3.24Å; S195-D198 PolarHBondContact O-N 2.76Å; P196-D198 PolarHBondContact O-N 3.26Å; D198-V200 PolarHBondContact O-N 2.7Å; D198-V200 VanDerWaalsContact O-N 3.09Å; D198-F201 WeakPolarHBondContact O-CB 3.42Å; D198-F201 PolarHBondContact O-N 3.28Å; D198-A202 PolarHBondContact O-N 2.93Å; D198-A202 VanDerWaalsContact O-N 3.16Å |
| 199 | Y | 64.2 | Low | 67.5 | Low | 147 Ų | 147 | 60.1 Ų | 60.1 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -53.4 | -32.8 | -178.9 | 71.2 | -87.4 | 0 | 0 | 0 | 113.8 | F201 A202 A203 | Y199-F201 VanDerWaalsContact C-N 3.34Å; Y199-A202 PolarHBondContact O-N 3.03Å; Y199-A203 VanDerWaalsContact O-CB 3.3Å; Y199-A203 WeakPolarHBondContact O-CB 3.26Å; Y199-A203 PolarHBondContact O-N 3.08Å |
| 200 | V | 60.3 | Low | 67.9 | Low | 38 Ų | 38 | 60 Ų | 60 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.6 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | Y85 D198 A204 | Y85-V200 HydrophobicContact CD2-CB 4.48Å; Y85-V200 HydrophobicContact CD2-CG1 3.57Å; Y85-V200 HydrophobicContact CD2-CG2 4.04Å; Y85-V200 HydrophobicContact CE2-CG1 3.72Å; Y85-V200 HydrophobicContact CE2-CG2 4.04Å; D198-V200 PolarHBondContact O-N 2.7Å; D198-V200 VanDerWaalsContact O-N 3.09Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.01Å |
| 201 | F | 65.7 | Low | 67.9 | Low | 28 Ų | 28 | 58 Ų | 58 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -47 | -179.8 | 175.4 | -117.4 | 0 | 0 | 0 | 110 | I75 R82 I194 D198 Y199 A203 A204 Q205 | I75-F201 HydrophobicContact CB-CD2 4.05Å; I75-F201 HydrophobicContact CB-CE2 3.73Å; I75-F201 HydrophobicContact CB-CZ 4.34Å; I75-F201 HydrophobicContact CD1-CD2 3.51Å; I75-F201 HydrophobicContact CD1-CE2 3.84Å; I75-F201 HydrophobicContact CG1-CD2 4.34Å; I75-F201 HydrophobicContact CG1-CE2 4.4Å; I75-F201 HydrophobicContact CG2-CD1 4.17Å; I75-F201 HydrophobicContact CG2-CD2 3.42Å; I75-F201 VanDerWaalsContact CG2-CD2 3.42Å; I75-F201 HydrophobicContact CG2-CE1 4.11Å; I75-F201 HydrophobicContact CG2-CE2 3.34Å; I75-F201 HydrophobicContact CG2-CG 3.82Å; I75-F201 HydrophobicContact CG2-CZ 3.71Å; R82-F201 HydrophobicContact CG-CB 4.4Å; I194-F201 HydrophobicContact CD1-CD1 4.25Å; I194-F201 HydrophobicContact CD1-CE1 4.49Å; D198-F201 WeakPolarHBondContact O-CB 3.42Å; D198-F201 PolarHBondContact O-N 3.28Å; Y199-F201 VanDerWaalsContact C-N 3.34Å; F201-A203 VanDerWaalsContact C-N 3.33Å; F201-A203 PolarHBondContact O-N 3.36Å; F201-A204 PolarHBondContact O-N 3.4Å; F201-A204 VanDerWaalsContact O-N 3.14Å; F201-Q205 HydrophobicContact CD2-CG 4.26Å; F201-Q205 VanDerWaalsContact CE1-CD 3.46Å; F201-Q205 HydrophobicContact CE1-CG 4.28Å; F201-Q205 HydrophobicContact CE2-CG 3.95Å; F201-Q205 VanDerWaalsContact CZ-CD 3.46Å; F201-Q205 HydrophobicContact CZ-CG 3.95Å; F201-Q205 WeakPolarHBondContact O-CG 3.32Å; F201-Q205 PolarHBondContact O-N 2.82Å |
| 202 | A | 64 | Low | 68.1 | Low | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V186 I194 D198 Y199 Q205 L206 | V186-A202 HydrophobicContact CG2-CB 3.68Å; I194-A202 HydrophobicContact CD1-CB 3.73Å; I194-A202 HydrophobicContact CG2-CB 4.13Å; D198-A202 PolarHBondContact O-N 2.93Å; D198-A202 VanDerWaalsContact O-N 3.16Å; Y199-A202 PolarHBondContact O-N 3.03Å; A202-Q205 PolarHBondContact O-N 2.98Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.49Å; A202-L206 VanDerWaalsContact O-N 3.1Å |
| 203 | A | 67.2 | Low | 68.6 | Low | 56 Ų | 56 | 46.6 Ų | 46.6 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y199 F201 L207 | Y199-A203 VanDerWaalsContact O-CB 3.3Å; Y199-A203 WeakPolarHBondContact O-CB 3.26Å; Y199-A203 PolarHBondContact O-N 3.08Å; F201-A203 VanDerWaalsContact C-N 3.33Å; F201-A203 PolarHBondContact O-N 3.36Å; A203-L207 VanDerWaalsContact O-CB 3.26Å; A203-L207 WeakPolarHBondContact O-CB 3.47Å; A203-L207 PolarHBondContact O-N 2.81Å |
| 204 | A | 65.5 | Low | 68.8 | Low | 13 Ų | 13 | 41.8 Ų | 41.8 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V200 F201 L207 V208 | V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.01Å; F201-A204 PolarHBondContact O-N 3.4Å; F201-A204 VanDerWaalsContact O-N 3.14Å; A204-L207 PolarHBondContact O-N 2.8Å; A204-V208 WeakPolarHBondContact O-CG2 3.48Å; A204-V208 PolarHBondContact O-N 3.22Å; A204-V208 VanDerWaalsContact O-N 3.09Å |
| 205 | Q | 70.1 | Confident | 69 | Low | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -56.3 | 174.8 | -76.2 | -175.8 | -83.8 | 0 | 0 | 111.4 | Y72 D182 I194 F201 A202 L207 V208 D209 | Y72-Q205 HydrophobicContact CE2-CG 4.43Å; D182-Q205 PolarHBondContact OD1-NE2 2.88Å; D182-Q205 VanDerWaalsContact OD1-NE2 3.12Å; D182-Q205 WeakPolarHBondContact OD2-CB 3.4Å; I194-Q205 VanDerWaalsContact CD1-OE1 3.3Å; F201-Q205 HydrophobicContact CD2-CG 4.26Å; F201-Q205 VanDerWaalsContact CE1-CD 3.46Å; F201-Q205 HydrophobicContact CE1-CG 4.28Å; F201-Q205 HydrophobicContact CE2-CG 3.95Å; F201-Q205 VanDerWaalsContact CZ-CD 3.46Å; F201-Q205 HydrophobicContact CZ-CG 3.95Å; F201-Q205 WeakPolarHBondContact O-CG 3.32Å; F201-Q205 PolarHBondContact O-N 2.82Å; A202-Q205 PolarHBondContact O-N 2.98Å; Q205-L207 VanDerWaalsContact C-N 3.26Å; Q205-L207 PolarHBondContact O-N 2.68Å; Q205-V208 PolarHBondContact O-N 3.39Å; Q205-V208 VanDerWaalsContact O-N 3.07Å; Q205-D209 PolarHBondContact O-N 3.46Å; Q205-D209 VanDerWaalsContact O-N 3.09Å |
| 206 | L | 74.3 | Confident | 69.3 | Low | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.1 | -41.6 | 176.7 | -74.5 | 175.7 | 0 | 0 | 0 | 112.5 | L179 D182 V183 V186 A202 V208 D209 I210 | L179-L206 HydrophobicContact CD1-CD2 3.83Å; D182-L206 HydrophobicContact CB-CD2 3.82Å; D182-L206 HydrophobicContact CB-CG 4.43Å; V183-L206 HydrophobicContact CG2-CD2 3.75Å; V186-L206 HydrophobicContact CG2-CD1 3.79Å; V186-L206 HydrophobicContact CG2-CG 4.17Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.49Å; A202-L206 VanDerWaalsContact O-N 3.1Å; L206-V208 VanDerWaalsContact C-N 3.34Å; L206-V208 PolarHBondContact O-N 2.86Å; L206-D209 PolarHBondContact O-N 2.96Å; L206-I210 WeakPolarHBondContact O-CD1 3.04Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.1Å |
| 207 | L | 74.4 | Confident | 69.7 | Low | 61 Ų | 61 | 38 Ų | 38 | 32% | 0.319 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.7 | -38.6 | -179.1 | -175.1 | 61 | 0 | 0 | 0 | 111.9 | L92 A203 A204 Q205 I210 V211 | L92-L207 HydrophobicContact CB-CD2 4.14Å; L92-L207 HydrophobicContact CD1-CB 4.33Å; L92-L207 HydrophobicContact CD1-CD2 3.74Å; L92-L207 HydrophobicContact CD1-CG 4.16Å; L92-L207 HydrophobicContact CD2-CB 4.37Å; L92-L207 HydrophobicContact CD2-CD2 3.56Å; L92-L207 HydrophobicContact CD2-CG 3.52Å; L92-L207 HydrophobicContact CG-CD2 3.98Å; L92-L207 HydrophobicContact CG-CG 4.36Å; A203-L207 VanDerWaalsContact O-CB 3.26Å; A203-L207 WeakPolarHBondContact O-CB 3.47Å; A203-L207 PolarHBondContact O-N 2.81Å; A204-L207 PolarHBondContact O-N 2.8Å; Q205-L207 VanDerWaalsContact C-N 3.26Å; Q205-L207 PolarHBondContact O-N 2.68Å; L207-I210 PolarHBondContact O-N 3.3Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.13Å; L207-V211 PolarHBondContact O-N 2.94Å |
| 208 | V | 69.3 | Low | 70 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | 176.9 | 167.6 | 0 | 0 | 0 | 0 | 112 | F68 L92 A204 Q205 L206 I210 V211 Y212 | F68-V208 HydrophobicContact CD1-CG1 4.25Å; F68-V208 HydrophobicContact CD2-CG2 3.6Å; F68-V208 HydrophobicContact CE1-CB 4.2Å; F68-V208 HydrophobicContact CE1-CG1 3.61Å; F68-V208 HydrophobicContact CE1-CG2 4.12Å; F68-V208 HydrophobicContact CE2-CB 3.88Å; F68-V208 HydrophobicContact CE2-CG1 4.18Å; F68-V208 HydrophobicContact CE2-CG2 3.11Å; F68-V208 HydrophobicContact CG-CG2 4.27Å; F68-V208 HydrophobicContact CZ-CB 3.61Å; F68-V208 HydrophobicContact CZ-CG1 3.56Å; F68-V208 HydrophobicContact CZ-CG2 3.4Å; F68-V208 VanDerWaalsContact CZ-CG2 3.4Å; L92-V208 HydrophobicContact CD1-CG2 3.85Å; L92-V208 HydrophobicContact CD2-CG2 4.16Å; L92-V208 HydrophobicContact CG-CG2 4.18Å; A204-V208 WeakPolarHBondContact O-CG2 3.48Å; A204-V208 PolarHBondContact O-N 3.22Å; A204-V208 VanDerWaalsContact O-N 3.09Å; Q205-V208 PolarHBondContact O-N 3.39Å; Q205-V208 VanDerWaalsContact O-N 3.07Å; L206-V208 VanDerWaalsContact C-N 3.34Å; L206-V208 PolarHBondContact O-N 2.86Å; V208-I210 VanDerWaalsContact C-N 3.32Å; V208-I210 PolarHBondContact O-N 2.89Å; V208-V211 PolarHBondContact O-N 3.45Å; V208-Y212 HydrophobicContact CG1-CD2 3.57Å; V208-Y212 HydrophobicContact CG1-CE2 3.17Å; V208-Y212 VanDerWaalsContact O-CD2 3.32Å; V208-Y212 WeakPolarHBondContact O-CD2 3.31Å; V208-Y212 PolarHBondContact O-N 2.91Å |
| 209 | D | 76.4 | Confident | 70.2 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 174.8 | -80.2 | -3.9 | 0 | 0 | 0 | 111.1 | N175 Y178 L179 Q205 L206 V211 Y212 I213 | N175-D209 PolarHBondContact ND2-O 3.44Å; Y178-D209 WeakPolarHBondContact CB-OD2 3.3Å; L179-D209 WeakPolarHBondContact CA-OD2 3.47Å; L179-D209 HydrophobicContact CB-CB 4.25Å; L179-D209 HydrophobicContact CD1-CB 4.04Å; L179-D209 PolarHBondContact N-OD2 3.14Å; Q205-D209 PolarHBondContact O-N 3.46Å; Q205-D209 VanDerWaalsContact O-N 3.09Å; L206-D209 PolarHBondContact O-N 2.96Å; D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.16Å; D209-Y212 PolarHBondContact O-N 3.21Å; D209-I213 WeakPolarHBondContact O-CG1 3.29Å; D209-I213 PolarHBondContact O-N 3.47Å |
| 210 | I | 74.7 | Confident | 70.3 | Confident | 66 Ų | 66 | 31.1 Ų | 31.1 | 34% | 0.338 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.5 | -67.3 | 164.3 | 0 | 0 | 0 | 111.2 | L206 L207 V208 Y212 I213 F214 | L206-I210 WeakPolarHBondContact O-CD1 3.04Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.1Å; L207-I210 PolarHBondContact O-N 3.3Å; V208-I210 VanDerWaalsContact C-N 3.32Å; V208-I210 PolarHBondContact O-N 2.89Å; I210-Y212 VanDerWaalsContact C-N 3.31Å; I210-Y212 PolarHBondContact O-N 2.97Å; I210-I213 PolarHBondContact O-N 3.05Å; I210-F214 VanDerWaalsContact O-CB 3.29Å; I210-F214 WeakPolarHBondContact O-CB 3.48Å; I210-F214 PolarHBondContact O-N 3.22Å |
| 211 | V | 72.9 | Confident | 70.8 | Confident | 18 Ų | 18 | 30 Ų | 30 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 179.9 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | L92 V96 L207 V208 D209 F214 M215 | L92-V211 HydrophobicContact CD2-CG2 4.05Å; V96-V211 HydrophobicContact CG2-CG2 3.58Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.13Å; L207-V211 PolarHBondContact O-N 2.94Å; V208-V211 PolarHBondContact O-N 3.45Å; D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.16Å; V211-F214 PolarHBondContact O-N 3.02Å; V211-M215 WeakPolarHBondContact O-CB 3.44Å; V211-M215 WeakPolarHBondContact O-CG 3.28Å; V211-M215 PolarHBondContact O-N 2.54Å |
| 212 | Y | 72.6 | Confident | 70.8 | Confident | 41 Ų | 41 | 28.9 Ų | 28.9 | 16% | 0.161 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.7 | -39.4 | 176.4 | -73.7 | -46.7 | 0 | 0 | 0 | 113.6 | L65 N175 V208 D209 I210 F214 M215 Y216 | L65-Y212 WeakPolarHBondContact CD1-OH 3.25Å; N175-Y212 WeakPolarHBondContact OD1-CB 3.47Å; V208-Y212 HydrophobicContact CG1-CD2 3.57Å; V208-Y212 HydrophobicContact CG1-CE2 3.17Å; V208-Y212 VanDerWaalsContact O-CD2 3.32Å; V208-Y212 WeakPolarHBondContact O-CD2 3.31Å; V208-Y212 PolarHBondContact O-N 2.91Å; D209-Y212 PolarHBondContact O-N 3.21Å; I210-Y212 VanDerWaalsContact C-N 3.31Å; I210-Y212 PolarHBondContact O-N 2.97Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 2.99Å; Y212-M215 PolarHBondContact O-N 3.04Å; Y212-Y216 WeakPolarHBondContact O-CB 3.11Å; Y212-Y216 PolarHBondContact O-N 3.45Å |
| 213 | I | 74.2 | Confident | 71 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -48.3 | 171.7 | -62.8 | -179.1 | 0 | 0 | 0 | 109 | N175 L179 D209 I210 M215 Y216 L217 | N175-I213 WeakPolarHBondContact ND2-CG1 3.4Å; L179-I213 HydrophobicContact CB-CD1 4.39Å; L179-I213 HydrophobicContact CD2-CD1 3.62Å; D209-I213 WeakPolarHBondContact O-CG1 3.29Å; D209-I213 PolarHBondContact O-N 3.47Å; I210-I213 PolarHBondContact O-N 3.05Å; I213-M215 PolarHBondContact O-N 2.83Å; I213-Y216 WeakPolarHBondContact O-CB 3.42Å; I213-Y216 PolarHBondContact O-N 2.92Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.31Å; I213-L217 VanDerWaalsContact O-CG 3.31Å; I213-L217 WeakPolarHBondContact O-CG 3.26Å; I213-L217 PolarHBondContact O-N 3.45Å |
| 214 | F | 75.2 | Confident | 70.8 | Confident | 25 Ų | 25 | 36.3 Ų | 36.3 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | -178.7 | -179.9 | -110.4 | 0 | 0 | 0 | 112.1 | L100 V109 A112 A113 C116 I210 V211 Y212 Y216 L217 L218 | L100-F214 HydrophobicContact CD2-CD1 4.49Å; L100-F214 HydrophobicContact CD2-CE1 3.27Å; L100-F214 HydrophobicContact CD2-CZ 3.37Å; L100-F214 HydrophobicContact CG-CE1 4.12Å; V109-F214 HydrophobicContact CG1-CZ 4.07Å; A112-F214 HydrophobicContact CB-CD2 4.42Å; A112-F214 HydrophobicContact CB-CE2 4.01Å; A113-F214 HydrophobicContact CB-CD2 4.44Å; A113-F214 HydrophobicContact CB-CE2 3.78Å; C116-F214 HydrophobicContact CB-CB 4.36Å; C116-F214 HydrophobicContact CB-CD2 4.07Å; I210-F214 VanDerWaalsContact O-CB 3.29Å; I210-F214 WeakPolarHBondContact O-CB 3.48Å; I210-F214 PolarHBondContact O-N 3.22Å; V211-F214 PolarHBondContact O-N 3.02Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 2.99Å; F214-Y216 VanDerWaalsContact C-N 3.3Å; F214-Y216 PolarHBondContact O-N 3.45Å; F214-L217 PolarHBondContact O-N 3.09Å; F214-L218 HydrophobicContact CD1-CD1 3.92Å; F214-L218 HydrophobicContact CD1-CG 4.42Å; F214-L218 HydrophobicContact CE1-CD1 3.36Å; F214-L218 HydrophobicContact CE1-CG 3.96Å; F214-L218 HydrophobicContact CE2-CD2 4.42Å; F214-L218 HydrophobicContact CE2-CG 4.23Å; F214-L218 HydrophobicContact CZ-CD1 3.71Å; F214-L218 HydrophobicContact CZ-CD2 4.02Å; F214-L218 HydrophobicContact CZ-CG 3.86Å; F214-L218 WeakPolarHBondContact O-CG 3.2Å; F214-L218 PolarHBondContact O-N 3.45Å |
| 215 | M | 70.5 | Confident | 70.5 | Confident | 39 Ų | 39 | 40.5 Ų | 40.5 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 175.4 | -83.3 | -66 | -84 | 0 | 0 | 113 | C99 V211 Y212 I213 L218 Q219 | C99-M215 HydrophobicContact CB-CE 4.19Å; C99-M215 HydrophobicContact CB-CG 4.08Å; C99-M215 HydrophobicContact CB-SD 3.3Å; C99-M215 WeakPolarHBondContact CB-SD 3.47Å; C99-M215 WeakPolarHBondContact SG-CE 3.43Å; C99-M215 PolarHBondContact SG-SD 2.96Å; V211-M215 WeakPolarHBondContact O-CB 3.44Å; V211-M215 WeakPolarHBondContact O-CG 3.28Å; V211-M215 PolarHBondContact O-N 2.54Å; Y212-M215 PolarHBondContact O-N 3.04Å; I213-M215 PolarHBondContact O-N 2.83Å; M215-L218 PolarHBondContact O-N 3.29Å; M215-L218 HydrophobicContact SD-CD1 4.15Å; M215-Q219 WeakPolarHBondContact O-CG 3.28Å; M215-Q219 PolarHBondContact O-N 3.36Å; M215-Q219 VanDerWaalsContact O-N 3.15Å |
| 216 | Y | 71.8 | Confident | 69.5 | Low | 58 Ų | 58 | 50 Ų | 50 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.6 | 168.8 | -119.6 | 0 | 0 | 0 | 111.5 | K172 Y212 I213 F214 L218 Q219 I220 | K172-Y216 HydrophobicContact CB-CD1 4.3Å; K172-Y216 HydrophobicContact CB-CE1 4Å; K172-Y216 HydrophobicContact CD-CD2 3.97Å; K172-Y216 HydrophobicContact CD-CE1 3.86Å; K172-Y216 HydrophobicContact CD-CE2 3.26Å; K172-Y216 WeakPolarHBondContact CD-OH 3.45Å; K172-Y216 WeakPolarHBondContact CE-OH 3.37Å; K172-Y216 HydrophobicContact CG-CD1 3.79Å; K172-Y216 HydrophobicContact CG-CD2 3.46Å; K172-Y216 VanDerWaalsContact CG-CD2 3.46Å; K172-Y216 HydrophobicContact CG-CE1 3.51Å; K172-Y216 HydrophobicContact CG-CE2 3.29Å; K172-Y216 HydrophobicContact CG-CG 3.74Å; K172-Y216 PolarHBondContact NZ-OH 2.69Å; Y212-Y216 WeakPolarHBondContact O-CB 3.11Å; Y212-Y216 PolarHBondContact O-N 3.45Å; I213-Y216 WeakPolarHBondContact O-CB 3.42Å; I213-Y216 PolarHBondContact O-N 2.92Å; F214-Y216 VanDerWaalsContact C-N 3.3Å; F214-Y216 PolarHBondContact O-N 3.45Å; Y216-L218 VanDerWaalsContact C-N 3.33Å; Y216-L218 PolarHBondContact O-N 2.94Å; Y216-Q219 WeakPolarHBondContact O-CB 3.35Å; Y216-Q219 PolarHBondContact O-N 3.08Å; Y216-Q219 VanDerWaalsContact O-N 3.17Å; Y216-I220 HydrophobicContact CD1-CD1 4.07Å; Y216-I220 HydrophobicContact CD2-CD1 4.38Å; Y216-I220 HydrophobicContact CD2-CG1 4.26Å; Y216-I220 HydrophobicContact CE1-CD1 3.35Å; Y216-I220 HydrophobicContact CE1-CG1 4.2Å; Y216-I220 HydrophobicContact CE2-CD1 3.59Å; Y216-I220 HydrophobicContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CZ-CG1 3.47Å; Y216-I220 WeakPolarHBondContact O-CG1 3.44Å; Y216-I220 PolarHBondContact O-N 3.48Å; Y216-I220 VanDerWaalsContact O-N 3.14Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.24Å |
| 217 | L | 71.7 | Confident | 69.2 | Low | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.2 | -71.2 | 170.1 | 0 | 0 | 0 | 112.2 | A112 I115 C116 I213 F214 Q219 I220 V221 | A112-L217 HydrophobicContact CB-CB 3.95Å; I115-L217 HydrophobicContact CB-CD1 4.02Å; I115-L217 HydrophobicContact CB-CD2 4.29Å; I115-L217 HydrophobicContact CG2-CD1 3.79Å; I115-L217 HydrophobicContact CG2-CD2 3.55Å; I115-L217 HydrophobicContact CG2-CG 4.32Å; C116-L217 HydrophobicContact CB-CD1 3.58Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.31Å; I213-L217 VanDerWaalsContact O-CG 3.31Å; I213-L217 WeakPolarHBondContact O-CG 3.26Å; I213-L217 PolarHBondContact O-N 3.45Å; F214-L217 PolarHBondContact O-N 3.09Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; L217-Q219 PolarHBondContact O-N 2.89Å; L217-I220 HydrophobicContact CD2-CD1 4.05Å; L217-I220 PolarHBondContact O-N 2.95Å; L217-V221 WeakPolarHBondContact O-CB 3.18Å; L217-V221 VanDerWaalsContact O-CG2 3.27Å; L217-V221 WeakPolarHBondContact O-CG2 3.25Å; L217-V221 PolarHBondContact O-N 3.4Å |
| 218 | L | 68.6 | Low | 68.9 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 172.9 | -79.7 | 177.3 | 0 | 0 | 0 | 112.1 | Y104 V109 A112 F214 M215 Y216 G222 | Y104-L218 HydrophobicContact CD2-CB 3.84Å; Y104-L218 HydrophobicContact CD2-CD1 4.29Å; Y104-L218 HydrophobicContact CD2-CD2 4.22Å; Y104-L218 HydrophobicContact CD2-CG 4.37Å; Y104-L218 WeakPolarHBondContact CE1-O 3.3Å; Y104-L218 HydrophobicContact CE2-CB 3.9Å; Y104-L218 HydrophobicContact CG-CB 4.45Å; Y104-L218 HydrophobicContact CG-CD2 4.37Å; V109-L218 HydrophobicContact CB-CD2 4.23Å; V109-L218 HydrophobicContact CG2-CD2 3.86Å; A112-L218 HydrophobicContact CB-CD2 3.74Å; A112-L218 HydrophobicContact CB-CG 4.04Å; F214-L218 HydrophobicContact CD1-CD1 3.92Å; F214-L218 HydrophobicContact CD1-CG 4.42Å; F214-L218 HydrophobicContact CE1-CD1 3.36Å; F214-L218 HydrophobicContact CE1-CG 3.96Å; F214-L218 HydrophobicContact CE2-CD2 4.42Å; F214-L218 HydrophobicContact CE2-CG 4.23Å; F214-L218 HydrophobicContact CZ-CD1 3.71Å; F214-L218 HydrophobicContact CZ-CD2 4.02Å; F214-L218 HydrophobicContact CZ-CG 3.86Å; F214-L218 WeakPolarHBondContact O-CG 3.2Å; F214-L218 PolarHBondContact O-N 3.45Å; M215-L218 PolarHBondContact O-N 3.29Å; M215-L218 HydrophobicContact SD-CD1 4.15Å; Y216-L218 VanDerWaalsContact C-N 3.33Å; Y216-L218 PolarHBondContact O-N 2.94Å; L218-G222 WeakPolarHBondContact O-CA 3.33Å; L218-G222 PolarHBondContact O-N 3.43Å |
| 219 | Q | 69.8 | Low | 68.9 | Low | 47 Ų | 47 | 52.2 Ų | 52.2 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -47.9 | 175.8 | -69.8 | 174.6 | 14.7 | 0 | 0 | 111.3 | Y104 M215 Y216 L217 F223 | Y104-Q219 WeakPolarHBondContact OH-CG 3.22Å; M215-Q219 WeakPolarHBondContact O-CG 3.28Å; M215-Q219 PolarHBondContact O-N 3.36Å; M215-Q219 VanDerWaalsContact O-N 3.15Å; Y216-Q219 WeakPolarHBondContact O-CB 3.35Å; Y216-Q219 PolarHBondContact O-N 3.08Å; Y216-Q219 VanDerWaalsContact O-N 3.17Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; L217-Q219 PolarHBondContact O-N 2.89Å; Q219-F223 HydrophobicContact CB-CD2 4.41Å; Q219-F223 HydrophobicContact CB-CE2 4.38Å; Q219-F223 WeakPolarHBondContact O-CB 3.45Å; Q219-F223 WeakPolarHBondContact O-CD2 3.33Å; Q219-F223 WeakPolarHBondContact O-CG 3.19Å; Q219-F223 PolarHBondContact O-N 3.24Å |
| 220 | I | 68 | Low | 68.5 | Low | 67 Ų | 67 | 54.6 Ų | 54.6 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -52.5 | 178.8 | -55.7 | 163.6 | 0 | 0 | 0 | 111.3 | Y216 L217 G222 F223 A224 | Y216-I220 HydrophobicContact CD1-CD1 4.07Å; Y216-I220 HydrophobicContact CD2-CD1 4.38Å; Y216-I220 HydrophobicContact CD2-CG1 4.26Å; Y216-I220 HydrophobicContact CE1-CD1 3.35Å; Y216-I220 HydrophobicContact CE1-CG1 4.2Å; Y216-I220 HydrophobicContact CE2-CD1 3.59Å; Y216-I220 HydrophobicContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CZ-CG1 3.47Å; Y216-I220 WeakPolarHBondContact O-CG1 3.44Å; Y216-I220 PolarHBondContact O-N 3.48Å; Y216-I220 VanDerWaalsContact O-N 3.14Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.24Å; L217-I220 HydrophobicContact CD2-CD1 4.05Å; L217-I220 PolarHBondContact O-N 2.95Å; I220-G222 VanDerWaalsContact C-N 3.27Å; I220-G222 PolarHBondContact O-N 3.01Å; I220-F223 PolarHBondContact O-N 3.41Å; I220-A224 WeakPolarHBondContact O-CB 3.29Å; I220-A224 PolarHBondContact O-N 3.05Å |
| 221 | V | 69.9 | Low | 68.1 | Low | 15 Ų | 15 | 53.9 Ų | 53.9 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.4 | -33.7 | -174.7 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | I111 A112 I115 L217 R225 | I111-V221 HydrophobicContact CB-CG1 4.16Å; I111-V221 HydrophobicContact CG2-CG1 4.03Å; I111-V221 HydrophobicContact CG2-CG2 4.14Å; A112-V221 HydrophobicContact CB-CG2 4.27Å; I115-V221 HydrophobicContact CD1-CG2 4.33Å; L217-V221 WeakPolarHBondContact O-CB 3.18Å; L217-V221 VanDerWaalsContact O-CG2 3.27Å; L217-V221 WeakPolarHBondContact O-CG2 3.25Å; L217-V221 PolarHBondContact O-N 3.4Å; V221-R225 WeakPolarHBondContact O-CB 3.22Å; V221-R225 VanDerWaalsContact O-CG 3.29Å; V221-R225 WeakPolarHBondContact O-CG 3.48Å; V221-R225 PolarHBondContact O-N 3.15Å |
| 222 | G | 66.2 | Low | 67.8 | Low | 4 Ų | 4 | 56.3 Ų | 56.3 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -53.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y104 L218 I220 A224 R225 E226 | Y104-G222 VanDerWaalsContact CD1-CA 3.43Å; L218-G222 WeakPolarHBondContact O-CA 3.33Å; L218-G222 PolarHBondContact O-N 3.43Å; I220-G222 VanDerWaalsContact C-N 3.27Å; I220-G222 PolarHBondContact O-N 3.01Å; G222-A224 PolarHBondContact O-N 3.07Å; G222-R225 PolarHBondContact O-N 3.25Å; G222-R225 VanDerWaalsContact O-N 3.08Å; G222-E226 PolarHBondContact O-N 2.88Å |
| 223 | F | 68.2 | Low | 67.4 | Low | 141 Ų | 141 | 57.4 Ų | 57.4 | 62% | 0.618 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.5 | -30.4 | 176.7 | -79.9 | -60.8 | 0 | 0 | 0 | 113.2 | Q219 I220 R225 | Q219-F223 HydrophobicContact CB-CD2 4.41Å; Q219-F223 HydrophobicContact CB-CE2 4.38Å; Q219-F223 WeakPolarHBondContact O-CB 3.45Å; Q219-F223 WeakPolarHBondContact O-CD2 3.33Å; Q219-F223 WeakPolarHBondContact O-CG 3.19Å; Q219-F223 PolarHBondContact O-N 3.24Å; I220-F223 PolarHBondContact O-N 3.41Å; F223-R225 PolarHBondContact O-N 3.06Å |
| 224 | A | 62.8 | Low | 66.9 | Low | 78 Ų | 78 | 61.3 Ų | 61.3 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I220 G222 | I220-A224 WeakPolarHBondContact O-CB 3.29Å; I220-A224 PolarHBondContact O-N 3.05Å; G222-A224 PolarHBondContact O-N 3.07Å |
| 225 | R | 59.7 | Low | 66.2 | Low | 101 Ų | 101 | 64.3 Ų | 64.3 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 4.4 | -173.5 | -68.8 | -166.1 | 63.7 | 166.7 | 4.3 | 114.3 | E107 S108 V221 G222 F223 | E107-R225 IonicContact OE2-CZ 3.39Å; E107-R225 IonicContact OE2-NH1 3.19Å; E107-R225 PolarHBondContact OE2-NH1 3.15Å; E107-R225 IonicContact OE2-NH2 2.86Å; E107-R225 PolarHBondContact OE2-NH2 3.18Å; S108-R225 WeakPolarHBondContact OG-CD 3.16Å; V221-R225 WeakPolarHBondContact O-CB 3.22Å; V221-R225 VanDerWaalsContact O-CG 3.29Å; V221-R225 WeakPolarHBondContact O-CG 3.48Å; V221-R225 PolarHBondContact O-N 3.15Å; G222-R225 PolarHBondContact O-N 3.25Å; G222-R225 VanDerWaalsContact O-N 3.08Å; F223-R225 PolarHBondContact O-N 3.06Å |
| 226 | E | 47.5 | Very low | 65.8 | Low | 206 Ų | 206 | 66.6 Ų | 66.6 | 96% | 0.963 | 33% | 0.328 | S | S | * | . | trans | -92.1 | 0 | 162.1 | -68.2 | 177.3 | -177.5 | 0 | 0 | 109.5 | G222 | G222-E226 PolarHBondContact O-N 2.88Š|
Retrieved 226 of 226 residues in 204.2 ms
(Link to these results)