| 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 | 39.2 | Very low | 36 | Very low | 247 Ų | 247 | 186.6 Ų | 186.6 | 100% | 1.217 | 89% | 0.894 | S | S | * | * | 0 | 130.9 | 0 | -78.8 | 175.3 | 171.9 | 0 | 0 | 108.7 | |||||
| 2 | A | 39.1 | Very low | 35.9 | Very low | 103 Ų | 103 | 185.8 Ų | 185.8 | 85% | 0.851 | 89% | 0.888 | S | S | * | * | trans | -33.9 | 118.9 | -162.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | R4 | A2-R4 PolarHBondContact O-N 3.36Š| ||
| 3 | T | 35.8 | Very low | 36 | Very low | 139 Ų | 139 | 180.6 Ų | 180.6 | 85% | 0.853 | 88% | 0.879 | S | S | * | * | trans | -73.6 | 108.3 | 168 | -18.1 | 0 | 0 | 0 | 0 | 109.5 | R5 | T3-R5 PolarHBondContact O-N 2.91Š| ||
| 4 | R | 37.8 | Very low | 36.4 | Very low | 245 Ų | 245 | 179.1 Ų | 179.1 | 93% | 0.925 | 87% | 0.874 | S | S | * | * | trans | -64.6 | 99.6 | 176.9 | -85 | 179.9 | 170.3 | 178.4 | -2.8 | 110.8 | A2 R6 | A2-R4 PolarHBondContact O-N 3.36Å; R4-R6 PolarHBondContact O-N 2.87Å | ||
| 5 | R | 38.2 | Very low | 36.5 | Very low | 240 Ų | 240 | 176.7 Ų | 176.7 | 91% | 0.906 | 87% | 0.865 | S | S | * | * | trans | -68.7 | 114.3 | 164.3 | -76.4 | -179.4 | 173.7 | 177 | -2.1 | 109.1 | T3 I7 | T3-R5 PolarHBondContact O-N 2.91Å; R5-I7 PolarHBondContact O-N 2.91Å | ||
| 6 | R | 37.8 | Very low | 37 | Very low | 241 Ų | 241 | 169.4 Ų | 169.4 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -68.8 | 117.2 | 170 | -84.7 | -179.8 | 175.2 | 173.3 | -1.3 | 108.9 | R4 V8 | R4-R6 PolarHBondContact O-N 2.87Å; R6-V8 PolarHBondContact O-N 3.43Å | ||
| 7 | I | 35.9 | Very low | 37.7 | Very low | 155 Ų | 155 | 164.8 Ų | 164.8 | 80% | 0.795 | 83% | 0.825 | S | S | * | * | trans | -70.6 | 119 | 170.7 | -67.6 | 166.7 | 0 | 0 | 0 | 107.8 | R5 Q9 | R5-I7 PolarHBondContact O-N 2.91Å; I7-Q9 PolarHBondContact O-N 3.33Å | ||
| 8 | V | 34 | Very low | 38.3 | Very low | 131 Ų | 131 | 158.4 Ų | 158.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -73.3 | 104.1 | 170.7 | 175.9 | 0 | 0 | 0 | 0 | 107.3 | R6 Q10 | R6-V8 PolarHBondContact O-N 3.43Å; V8-Q10 PolarHBondContact O-N 3.1Å | ||
| 9 | Q | 33.4 | Very low | 38.8 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 117.7 | 167.7 | -82.1 | -179.2 | -18.9 | 0 | 0 | 108.8 | I7 Q11 | I7-Q9 PolarHBondContact O-N 3.33Å; Q9-Q11 PolarHBondContact O-N 3.5Å | ||
| 10 | Q | 32.6 | Very low | 39.4 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -58.7 | 125.5 | 173.9 | -72 | 171.1 | -22.4 | 0 | 0 | 110.1 | V8 Q12 | V8-Q10 PolarHBondContact O-N 3.1Å; Q10-Q12 PolarHBondContact O-N 3.38Å | ||
| 11 | Q | 32 | Very low | 39.7 | Very low | 193 Ų | 193 | 150.5 Ų | 150.5 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -68.2 | 114.2 | 173.3 | -71.8 | 174.3 | -19.8 | 0 | 0 | 109.2 | Q9 | Q9-Q11 PolarHBondContact O-N 3.5Š| ||
| 12 | Q | 35.5 | Very low | 40 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -66.3 | 144 | 162.3 | -81.2 | 179.1 | -24.5 | 0 | 0 | 109.7 | Q10 I14 | Q10-Q12 PolarHBondContact O-N 3.38Å; Q12-I14 PolarHBondContact O-N 3.39Å | ||
| 13 | P | 36.3 | Very low | 40.3 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -65.7 | 128.2 | -168.6 | 24 | -32.2 | 0 | 0 | 0 | 111.9 | I15 | P13-I15 PolarHBondContact O-N 3.41Š| ||
| 14 | I | 41.3 | Very low | 40.6 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | trans | -61.5 | 101.1 | 173.4 | -61.1 | 165.5 | 0 | 0 | 0 | 107.6 | Q12 S16 | Q12-I14 PolarHBondContact O-N 3.39Å; I14-S16 PolarHBondContact O-N 3.23Å; I14-S16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | I | 38.3 | Very low | 40.6 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | -57 | 116.4 | 165.7 | -63.2 | 171 | 0 | 0 | 0 | 106.4 | P13 S17 | P13-I15 PolarHBondContact O-N 3.41Å; I15-S17 PolarHBondContact O-N 2.91Å | ||
| 16 | S | 44 | Very low | 40.6 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 43% | 0.427 | 70% | 0.695 | S | S | . | * | trans | -57 | 132.8 | -170 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | I14 A18 N19 | I14-S16 PolarHBondContact O-N 3.23Å; I14-S16 VanDerWaalsContact O-N 3.1Å; S16-A18 PolarHBondContact O-N 2.93Å; S16-N19 PolarHBondContact O-N 2.9Å | ||
| 17 | S | 50 | Low | 40.6 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -15.8 | 173.7 | 49 | 0 | 0 | 0 | 0 | 113.8 | I15 I20 L21 | I15-S17 PolarHBondContact O-N 2.91Å; S17-I20 PolarHBondContact O-N 3.29Å; S17-L21 PolarHBondContact O-N 3.37Å |
| 18 | A | 48.6 | Very low | 40.7 | Very low | 51 Ų | 51 | 135.3 Ų | 135.3 | 42% | 0.421 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -60 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S16 I20 L21 E22 | S16-A18 PolarHBondContact O-N 2.93Å; A18-I20 VanDerWaalsContact C-N 3.27Å; A18-I20 PolarHBondContact O-N 3.01Å; A18-L21 PolarHBondContact O-N 3.31Å; A18-E22 PolarHBondContact O-N 3.38Å |
| 19 | N | 48 | Very low | 40.8 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.6 | -24.9 | -177.9 | -81.3 | -11.1 | 0 | 0 | 0 | 113.3 | S16 K23 | S16-N19 PolarHBondContact O-N 2.9Å; N19-K23 WeakPolarHBondContact O-CB 3.49Å; N19-K23 WeakPolarHBondContact O-CG 3.18Å; N19-K23 PolarHBondContact O-N 3.44Å |
| 20 | I | 50.1 | Low | 41.2 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -79.9 | -36.3 | 176.6 | -62.6 | 174 | 0 | 0 | 0 | 110.5 | S17 A18 K24 | S17-I20 PolarHBondContact O-N 3.29Å; A18-I20 VanDerWaalsContact C-N 3.27Å; A18-I20 PolarHBondContact O-N 3.01Å; I20-K24 WeakPolarHBondContact O-CB 3.23Å; I20-K24 PolarHBondContact O-N 3.25Å |
| 21 | L | 46.2 | Very low | 41.7 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.2 | -45.9 | 174.1 | -95.8 | 151.4 | 0 | 0 | 0 | 111.3 | S17 A18 K23 K24 Y25 | S17-L21 PolarHBondContact O-N 3.37Å; A18-L21 PolarHBondContact O-N 3.31Å; L21-K23 PolarHBondContact O-N 2.97Å; L21-K24 PolarHBondContact O-N 2.86Å; L21-Y25 HydrophobicContact CD2-CD2 4.34Å; L21-Y25 HydrophobicContact CD2-CE2 4.09Å; L21-Y25 WeakPolarHBondContact O-CD2 3.41Å; L21-Y25 PolarHBondContact O-N 2.9Å |
| 22 | E | 45.6 | Very low | 42.5 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.7 | -40.7 | 175.8 | -80 | -172.8 | 160.9 | 0 | 0 | 112.4 | A18 K24 Y25 A26 | A18-E22 PolarHBondContact O-N 3.38Å; E22-K24 PolarHBondContact O-N 3.08Å; E22-Y25 PolarHBondContact O-N 3.48Å; E22-A26 WeakPolarHBondContact O-CB 3.28Å; E22-A26 PolarHBondContact O-N 3.36Å |
| 23 | K | 44.5 | Very low | 43.3 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 68% | 0.683 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.7 | -30.4 | 175.8 | -79.6 | -178.5 | 177.3 | 176.9 | 0 | 113.5 | N19 L21 K27 | N19-K23 WeakPolarHBondContact O-CB 3.49Å; N19-K23 WeakPolarHBondContact O-CG 3.18Å; N19-K23 PolarHBondContact O-N 3.44Å; L21-K23 PolarHBondContact O-N 2.97Å; K23-K27 WeakPolarHBondContact O-CB 3.46Å; K23-K27 PolarHBondContact O-N 2.89Å |
| 24 | K | 41.8 | Very low | 45.4 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 67% | 0.67 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.1 | -36.8 | 172.2 | -101 | -175.9 | 174.2 | 178.8 | 0 | 112 | I20 L21 E22 | I20-K24 WeakPolarHBondContact O-CB 3.23Å; I20-K24 PolarHBondContact O-N 3.25Å; L21-K24 PolarHBondContact O-N 2.86Å; E22-K24 PolarHBondContact O-N 3.08Å |
| 25 | Y | 39.5 | Very low | 47.7 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 69% | 0.694 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.5 | -39.5 | 174.9 | -91.9 | -87.1 | 0 | 0 | 0 | 112.4 | L21 E22 K27 Q28 | L21-Y25 HydrophobicContact CD2-CD2 4.34Å; L21-Y25 HydrophobicContact CD2-CE2 4.09Å; L21-Y25 WeakPolarHBondContact O-CD2 3.41Å; L21-Y25 PolarHBondContact O-N 2.9Å; E22-Y25 PolarHBondContact O-N 3.48Å; Y25-K27 VanDerWaalsContact C-N 3.34Å; Y25-K27 PolarHBondContact O-N 2.84Å; Y25-Q28 PolarHBondContact O-N 3.4Å |
| 26 | A | 37.5 | Very low | 50 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.6 | -25.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E22 | E22-A26 WeakPolarHBondContact O-CB 3.28Å; E22-A26 PolarHBondContact O-N 3.36Å |
| 27 | K | 37.7 | Very low | 52.2 | Low | 185 Ų | 185 | 121.9 Ų | 121.9 | 80% | 0.804 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -0 | 178.4 | -78.5 | -171 | 173.8 | -173.3 | 0 | 114.9 | K23 Y25 | K23-K27 WeakPolarHBondContact O-CB 3.46Å; K23-K27 PolarHBondContact O-N 2.89Å; Y25-K27 VanDerWaalsContact C-N 3.34Å; Y25-K27 PolarHBondContact O-N 2.84Å |
| 28 | Q | 38.1 | Very low | 54.3 | Low | 169 Ų | 169 | 121.5 Ų | 121.5 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -112.7 | 5.9 | -179.8 | -100.9 | -179.8 | -15.3 | 0 | 0 | 115.5 | Y25 | Y25-Q28 PolarHBondContact O-N 3.4Š|
| 29 | T | 36.8 | Very low | 56.5 | Low | 97 Ų | 97 | 121.4 Ų | 121.4 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | trans | -107.3 | 42.1 | 176.9 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | H31 | T29-H31 VanDerWaalsContact C-N 3.3Å; T29-H31 PolarHBondContact O-N 3.25Å | ||
| 30 | V | 41 | Very low | 58.9 | Low | 124 Ų | 124 | 117.8 Ų | 117.8 | 75% | 0.752 | 58% | 0.577 | S | S | * | * | trans | -81.2 | 94.1 | 145.9 | -177.4 | 0 | 0 | 0 | 0 | 104.7 | T32 | V30-T32 PolarHBondContact O-N 3.46Š| ||
| 31 | H | 43.8 | Very low | 61.1 | Low | 165 Ų | 165 | 113.3 Ų | 113.3 | 76% | 0.764 | 56% | 0.557 | S | S | * | * | trans | -57.6 | 88.9 | 167.3 | -83.2 | -80.2 | 0 | 0 | 0 | 107.4 | T29 Y33 | T29-H31 VanDerWaalsContact C-N 3.3Å; T29-H31 PolarHBondContact O-N 3.25Å; H31-Y33 PolarHBondContact O-N 2.72Å | ||
| 32 | T | 48.1 | Very low | 63.6 | Low | 121 Ų | 121 | 113.3 Ų | 113.3 | 74% | 0.742 | 56% | 0.557 | S | S | * | * | trans | -55.6 | 110.3 | 161.4 | 38.6 | 0 | 0 | 0 | 0 | 105 | V30 D34 | V30-T32 PolarHBondContact O-N 3.46Å; T32-D34 PolarHBondContact O-N 3.38Å | ||
| 33 | Y | 53.2 | Low | 66.1 | Low | 177 Ų | 177 | 109.5 Ų | 109.5 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | trans | -51.6 | 109.4 | 171.7 | -114.1 | -95.4 | 0 | 0 | 0 | 106.5 | H31 Y35 | H31-Y33 PolarHBondContact O-N 2.72Å; Y33-Y35 VanDerWaalsContact C-N 3.25Å; Y33-Y35 WeakPolarHBondContact O-CD2 3.13Å; Y33-Y35 PolarHBondContact O-N 3.1Å | ||
| 34 | D | 80.5 | Confident | 68.7 | Low | 42 Ų | 42 | 102 Ų | 102 | 23% | 0.225 | 51% | 0.513 | C | S | . | . | trans | -77.2 | 88 | 178.7 | -164.1 | -13.8 | 0 | 0 | 0 | 106.8 | T32 Q36 I37 L38 R145 | T32-D34 PolarHBondContact O-N 3.38Å; D34-Q36 PolarHBondContact O-N 3.1Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.42Å; D34-Q36 PolarHBondContact OD1-N 2.99Å; D34-I37 HydrophobicContact CB-CB 4.34Å; D34-I37 HydrophobicContact CB-CD1 3.87Å; D34-I37 HydrophobicContact CB-CG1 3.93Å; D34-I37 PolarHBondContact O-N 3.42Å; D34-L38 PolarHBondContact O-N 3.3Å; D34-R145 IonicContact OD1-CZ 3.98Å; D34-R145 IonicContact OD1-NH2 4Å; D34-R145 PolarHBondContact OD1-NH2 2.9Å; D34-R145 IonicContact OD2-CZ 2.91Å; D34-R145 IonicContact OD2-NH1 2.95Å; D34-R145 IonicContact OD2-NH2 3.43Å; D34-R145 PolarHBondContact OD2-NH2 3.31Å | ||
| 35 | Y | 87.7 | Confident | 71.4 | Confident | 184 Ų | 184 | 96.8 Ų | 96.8 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -48 | -28.7 | 178.4 | -72.5 | -83.7 | 0 | 0 | 0 | 112.3 | Y33 L38 A39 | Y33-Y35 VanDerWaalsContact C-N 3.25Å; Y33-Y35 WeakPolarHBondContact O-CD2 3.13Å; Y33-Y35 PolarHBondContact O-N 3.1Å; Y35-L38 PolarHBondContact O-N 2.84Å; Y35-A39 VanDerWaalsContact O-CB 3.28Å; Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 3.41Å |
| 36 | Q | 87.7 | Confident | 74.2 | Confident | 105 Ų | 105 | 91 Ų | 91 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 175.9 | -60.9 | -172.4 | -8.3 | 0 | 0 | 112.9 | D34 Y40 | D34-Q36 PolarHBondContact O-N 3.1Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.42Å; D34-Q36 PolarHBondContact OD1-N 2.99Å; Q36-Y40 VanDerWaalsContact O-CB 3.27Å; Q36-Y40 WeakPolarHBondContact O-CB 3.35Å; Q36-Y40 PolarHBondContact O-N 3.34Å |
| 37 | I | 90.4 | Very high | 77.1 | Confident | 44 Ų | 44 | 88.7 Ų | 88.7 | 23% | 0.226 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70 | -41.3 | 177.7 | -61.8 | 179 | 0 | 0 | 0 | 109.8 | D34 Y40 A41 | D34-I37 HydrophobicContact CB-CB 4.34Å; D34-I37 HydrophobicContact CB-CD1 3.87Å; D34-I37 HydrophobicContact CB-CG1 3.93Å; D34-I37 PolarHBondContact O-N 3.42Å; I37-Y40 PolarHBondContact O-N 3.32Å; I37-A41 WeakPolarHBondContact O-CB 3.41Å; I37-A41 PolarHBondContact O-N 2.91Å |
| 38 | L | 93.5 | Very high | 80 | Confident | 82 Ų | 82 | 80 Ų | 80 | 43% | 0.429 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 176.5 | -179.5 | 60.8 | 0 | 0 | 0 | 111.5 | D34 Y35 Y40 A41 I42 | D34-L38 PolarHBondContact O-N 3.3Å; Y35-L38 PolarHBondContact O-N 2.84Å; L38-Y40 VanDerWaalsContact C-N 3.3Å; L38-Y40 PolarHBondContact O-N 2.98Å; L38-A41 PolarHBondContact O-N 3.14Å; L38-A41 VanDerWaalsContact O-N 3.17Å; L38-I42 HydrophobicContact CD1-CD1 4.03Å; L38-I42 HydrophobicContact CD1-CG1 4.29Å; L38-I42 HydrophobicContact CG-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CG1 3.4Å; L38-I42 PolarHBondContact O-N 3.32Å |
| 39 | A | 95.8 | Very high | 82.8 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y35 S43 | Y35-A39 VanDerWaalsContact O-CB 3.28Å; Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 3.41Å; A39-S43 WeakPolarHBondContact O-CB 3.36Å; A39-S43 PolarHBondContact O-N 3.26Å; A39-S43 PolarHBondContact O-OG 2.89Å |
| 40 | Y | 96.9 | Very high | 85.8 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 5% | 0.047 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 172.9 | 162.6 | -110.5 | 0 | 0 | 0 | 112 | Q36 I37 L38 I42 S43 L44 I133 A136 R152 Q155 I156 | Q36-Y40 VanDerWaalsContact O-CB 3.27Å; Q36-Y40 WeakPolarHBondContact O-CB 3.35Å; Q36-Y40 PolarHBondContact O-N 3.34Å; I37-Y40 PolarHBondContact O-N 3.32Å; L38-Y40 VanDerWaalsContact C-N 3.3Å; L38-Y40 PolarHBondContact O-N 2.98Å; Y40-I42 VanDerWaalsContact C-N 3.34Å; Y40-I42 PolarHBondContact O-N 3.39Å; Y40-S43 PolarHBondContact O-N 3.46Å; Y40-L44 HydrophobicContact CE1-CD2 4.35Å; Y40-L44 HydrophobicContact CE2-CB 4.12Å; Y40-L44 HydrophobicContact CE2-CD2 4.02Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 PolarHBondContact O-N 3.05Å; Y40-L44 WeakPolarHBondContact OH-CD2 3.4Å; Y40-I133 HydrophobicContact CD1-CG1 4.43Å; Y40-I133 HydrophobicContact CE1-CB 4.31Å; Y40-I133 HydrophobicContact CE1-CG1 3.73Å; Y40-A136 HydrophobicContact CE1-CB 4.2Å; Y40-R152 HydrophobicContact CD1-CG 3.91Å; Y40-R152 HydrophobicContact CD2-CB 3.52Å; Y40-R152 HydrophobicContact CD2-CG 3.75Å; Y40-R152 HydrophobicContact CE1-CG 3.79Å; Y40-R152 HydrophobicContact CE2-CB 3.52Å; Y40-R152 HydrophobicContact CE2-CG 3.67Å; Y40-R152 WeakPolarHBondContact CE2-O 3.49Å; Y40-R152 HydrophobicContact CG-CB 4.08Å; Y40-R152 HydrophobicContact CG-CG 3.88Å; Y40-Q155 PolarHBondContact OH-OE1 3.46Å; Y40-I156 HydrophobicContact CD2-CD1 3.84Å; Y40-I156 HydrophobicContact CD2-CG1 4.15Å; Y40-I156 HydrophobicContact CE2-CD1 4.3Å; Y40-I156 HydrophobicContact CE2-CG1 4.13Å |
| 41 | A | 97.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I37 L38 T45 I133 | I37-A41 WeakPolarHBondContact O-CB 3.41Å; I37-A41 PolarHBondContact O-N 2.91Å; L38-A41 PolarHBondContact O-N 3.14Å; L38-A41 VanDerWaalsContact O-N 3.17Å; A41-T45 VanDerWaalsContact O-CB 3.22Å; A41-T45 WeakPolarHBondContact O-CB 3.31Å; A41-T45 PolarHBondContact O-N 3.48Å; A41-T45 PolarHBondContact O-OG1 3.4Å; A41-I133 HydrophobicContact CB-CD1 3.81Å; A41-I133 HydrophobicContact CB-CG1 4.42Å |
| 42 | I | 97.8 | Very high | 91.1 | Very high | 105 Ų | 105 | 60.5 Ų | 60.5 | 54% | 0.538 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 175.2 | -66.7 | 168 | 0 | 0 | 0 | 110.6 | L38 Y40 L44 T45 A46 | L38-I42 HydrophobicContact CD1-CD1 4.03Å; L38-I42 HydrophobicContact CD1-CG1 4.29Å; L38-I42 HydrophobicContact CG-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CG1 3.4Å; L38-I42 PolarHBondContact O-N 3.32Å; Y40-I42 VanDerWaalsContact C-N 3.34Å; Y40-I42 PolarHBondContact O-N 3.39Å; I42-L44 PolarHBondContact O-N 3.38Å; I42-T45 PolarHBondContact O-N 3.28Å; I42-A46 WeakPolarHBondContact O-CB 3.46Å; I42-A46 PolarHBondContact O-N 3.46Å |
| 43 | S | 98.2 | Very high | 93.5 | Very high | 55 Ų | 55 | 58.3 Ų | 58.3 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | -178.2 | -57 | 0 | 0 | 0 | 0 | 112.1 | A39 Y40 A46 A47 | A39-S43 WeakPolarHBondContact O-CB 3.36Å; A39-S43 PolarHBondContact O-N 3.26Å; A39-S43 PolarHBondContact O-OG 2.89Å; Y40-S43 PolarHBondContact O-N 3.46Å; S43-A46 PolarHBondContact O-N 3.35Å; S43-A47 WeakPolarHBondContact O-CB 3.39Å; S43-A47 PolarHBondContact O-N 2.89Å |
| 44 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 178.1 | -178.5 | 63.2 | 0 | 0 | 0 | 111.2 | Y40 I42 A47 R48 A129 D132 I133 Q155 I156 | Y40-L44 HydrophobicContact CE1-CD2 4.35Å; Y40-L44 HydrophobicContact CE2-CB 4.12Å; Y40-L44 HydrophobicContact CE2-CD2 4.02Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 PolarHBondContact O-N 3.05Å; Y40-L44 WeakPolarHBondContact OH-CD2 3.4Å; I42-L44 PolarHBondContact O-N 3.38Å; L44-A47 PolarHBondContact O-N 3.23Å; L44-R48 HydrophobicContact CD1-CG 4.22Å; L44-R48 HydrophobicContact CG-CG 4.35Å; L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 WeakPolarHBondContact O-CG 3.43Å; L44-R48 PolarHBondContact O-N 3.3Å; L44-A129 HydrophobicContact CD2-CB 4.39Å; L44-A129 HydrophobicContact CG-CB 4.3Å; L44-D132 HydrophobicContact CD2-CB 3.7Å; L44-I133 HydrophobicContact CD2-CD1 4.37Å; L44-I133 HydrophobicContact CD2-CG1 3.8Å; L44-Q155 HydrophobicContact CD1-CB 4.29Å; L44-I156 HydrophobicContact CB-CG1 4.21Å; L44-I156 HydrophobicContact CD1-CG1 4.34Å |
| 45 | T | 98.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.8 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | A41 I42 A47 R48 I49 L126 | A41-T45 VanDerWaalsContact O-CB 3.22Å; A41-T45 WeakPolarHBondContact O-CB 3.31Å; A41-T45 PolarHBondContact O-N 3.48Å; A41-T45 PolarHBondContact O-OG1 3.4Å; I42-T45 PolarHBondContact O-N 3.28Å; T45-A47 PolarHBondContact O-N 3.27Å; T45-R48 PolarHBondContact O-N 3.48Å; T45-I49 HydrophobicContact CG2-CD1 3.87Å; T45-I49 HydrophobicContact CG2-CG1 4.48Å; T45-I49 WeakPolarHBondContact O-CG1 3.28Å; T45-I49 PolarHBondContact O-N 3.39Å; T45-L126 HydrophobicContact CG2-CD2 3.61Å |
| 46 | A | 98.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I42 S43 R48 I49 F50 | I42-A46 WeakPolarHBondContact O-CB 3.46Å; I42-A46 PolarHBondContact O-N 3.46Å; S43-A46 PolarHBondContact O-N 3.35Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 2.83Å; A46-I49 PolarHBondContact O-N 3.08Å; A46-F50 WeakPolarHBondContact O-CB 3.43Å; A46-F50 PolarHBondContact O-N 3.04Å |
| 47 | A | 98.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S43 L44 T45 A51 I156 | S43-A47 WeakPolarHBondContact O-CB 3.39Å; S43-A47 PolarHBondContact O-N 2.89Å; L44-A47 PolarHBondContact O-N 3.23Å; T45-A47 PolarHBondContact O-N 3.27Å; A47-A51 PolarHBondContact O-N 3.27Å; A47-I156 HydrophobicContact CB-CG2 4.33Å |
| 48 | R | 98.5 | Very high | 97 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.8 | -38.5 | 178.6 | -68.7 | -82.8 | -177.1 | -92.1 | -10.9 | 112 | L44 T45 A46 A51 A52 A125 A129 D132 Q155 M161 S165 | L44-R48 HydrophobicContact CD1-CG 4.22Å; L44-R48 HydrophobicContact CG-CG 4.35Å; L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 WeakPolarHBondContact O-CG 3.43Å; L44-R48 PolarHBondContact O-N 3.3Å; T45-R48 PolarHBondContact O-N 3.48Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 2.83Å; R48-A51 WeakPolarHBondContact O-CB 3.39Å; R48-A51 PolarHBondContact O-N 3.19Å; R48-A52 PolarHBondContact O-N 2.9Å; R48-A125 HydrophobicContact CB-CB 3.98Å; R48-A125 WeakPolarHBondContact O-CB 3.3Å; R48-A129 HydrophobicContact CB-CB 4.2Å; R48-A129 HydrophobicContact CG-CB 3.8Å; R48-D132 IonicContact CZ-OD2 2.78Å; R48-D132 IonicContact NE-OD2 3.03Å; R48-D132 IonicContact NH2-OD2 2.87Å; R48-D132 PolarHBondContact NH2-OD2 3.22Å; R48-Q155 PolarHBondContact NH2-O 3.1Å; R48-Q155 VanDerWaalsContact NH2-O 3.09Å; R48-M161 VanDerWaalsContact NH2-CB 3.31Å; R48-S165 VanDerWaalsContact CD-OG 3.25Å; R48-S165 WeakPolarHBondContact CD-OG 3.32Å |
| 49 | I | 98.5 | Very high | 97 | Very high | 62 Ų | 62 | 39 Ų | 39 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 171.1 | -67.7 | 167.8 | 0 | 0 | 0 | 110.3 | T45 A46 A51 A52 L53 T122 L126 | T45-I49 HydrophobicContact CG2-CD1 3.87Å; T45-I49 HydrophobicContact CG2-CG1 4.48Å; T45-I49 WeakPolarHBondContact O-CG1 3.28Å; T45-I49 PolarHBondContact O-N 3.39Å; A46-I49 PolarHBondContact O-N 3.08Å; I49-A51 VanDerWaalsContact C-N 3.3Å; I49-A51 PolarHBondContact O-N 3.43Å; I49-A52 PolarHBondContact O-N 2.99Å; I49-A52 VanDerWaalsContact O-N 3.15Å; I49-L53 HydrophobicContact CG2-CD1 3.91Å; I49-L53 HydrophobicContact CG2-CG 4.39Å; I49-L53 WeakPolarHBondContact O-CG 3.44Å; I49-L53 PolarHBondContact O-N 2.89Å; I49-L53 VanDerWaalsContact O-N 3.07Å; I49-T122 HydrophobicContact CG1-CG2 4.28Å; I49-L126 HydrophobicContact CD1-CD2 4.35Å; I49-L126 HydrophobicContact CG1-CD2 4.12Å |
| 50 | F | 98.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.5 | -44 | 174.5 | 179.4 | -99.8 | 0 | 0 | 0 | 111.5 | A46 A52 L53 Q54 F162 L404 V407 | A46-F50 WeakPolarHBondContact O-CB 3.43Å; A46-F50 PolarHBondContact O-N 3.04Å; F50-A52 PolarHBondContact O-N 3.42Å; F50-L53 PolarHBondContact O-N 3.33Å; F50-Q54 HydrophobicContact CD2-CB 4.47Å; F50-Q54 HydrophobicContact CD2-CG 3.77Å; F50-Q54 HydrophobicContact CE1-CB 4.39Å; F50-Q54 HydrophobicContact CE2-CB 4.16Å; F50-Q54 HydrophobicContact CE2-CG 3.57Å; F50-Q54 HydrophobicContact CG-CG 4.4Å; F50-Q54 HydrophobicContact CZ-CB 4.1Å; F50-Q54 HydrophobicContact CZ-CG 4.03Å; F50-Q54 VanDerWaalsContact O-CB 3.3Å; F50-Q54 WeakPolarHBondContact O-CB 3.48Å; F50-Q54 WeakPolarHBondContact O-CG 3.06Å; F50-Q54 PolarHBondContact O-N 2.98Å; F50-F162 HydrophobicContact CD1-CD2 4.19Å; F50-F162 AromaticContact CD1-CE2 3.6Å; F50-F162 HydrophobicContact CD1-CE2 3.6Å; F50-F162 HydrophobicContact CE1-CD2 4.44Å; F50-F162 AromaticContact CE1-CE2 3.61Å; F50-F162 HydrophobicContact CE1-CE2 3.61Å; F50-F162 HydrophobicContact CE1-CZ 4.28Å; F50-L404 HydrophobicContact CZ-CD2 4.05Å; F50-V407 HydrophobicContact CZ-CG2 4.46Å |
| 51 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A47 R48 I49 L53 C55 F162 P166 | A47-A51 PolarHBondContact O-N 3.27Å; R48-A51 WeakPolarHBondContact O-CB 3.39Å; R48-A51 PolarHBondContact O-N 3.19Å; I49-A51 VanDerWaalsContact C-N 3.3Å; I49-A51 PolarHBondContact O-N 3.43Å; A51-L53 VanDerWaalsContact C-N 3.29Å; A51-L53 PolarHBondContact O-N 3.18Å; A51-C55 WeakPolarHBondContact O-CB 3.42Å; A51-C55 PolarHBondContact O-N 3.32Å; A51-F162 VanDerWaalsContact CA-CE2 3.49Å; A51-F162 HydrophobicContact CB-CD2 3.54Å; A51-F162 HydrophobicContact CB-CE2 3.98Å; A51-F162 HydrophobicContact CB-CG 4.24Å; A51-F162 WeakPolarHBondContact CB-O 3.34Å; A51-P166 HydrophobicContact CB-CG 4.3Å |
| 52 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R48 I49 F50 R121 A125 P166 | R48-A52 PolarHBondContact O-N 2.9Å; I49-A52 PolarHBondContact O-N 2.99Å; I49-A52 VanDerWaalsContact O-N 3.15Å; F50-A52 PolarHBondContact O-N 3.42Å; A52-R121 HydrophobicContact CB-CB 4.03Å; A52-R121 PolarHBondContact O-NE 3.07Å; A52-A125 HydrophobicContact CB-CB 4.01Å; A52-P166 HydrophobicContact CB-CB 4.1Å |
| 53 | L | 97.7 | Very high | 96.9 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 39% | 0.393 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -86.1 | -31.1 | -176 | -62.6 | 177.4 | 0 | 0 | 0 | 113.6 | I49 F50 A51 Y118 | I49-L53 HydrophobicContact CG2-CD1 3.91Å; I49-L53 HydrophobicContact CG2-CG 4.39Å; I49-L53 WeakPolarHBondContact O-CG 3.44Å; I49-L53 PolarHBondContact O-N 2.89Å; I49-L53 VanDerWaalsContact O-N 3.07Å; F50-L53 PolarHBondContact O-N 3.33Å; A51-L53 VanDerWaalsContact C-N 3.29Å; A51-L53 PolarHBondContact O-N 3.18Å; L53-Y118 HydrophobicContact CD2-CD1 4.04Å; L53-Y118 HydrophobicContact CD2-CG 4.41Å |
| 54 | Q | 96.8 | Very high | 96.9 | Very high | 79 Ų | 79 | 31.3 Ų | 31.3 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -117.2 | -20.3 | -167.3 | -55.4 | -60.1 | -45.3 | 0 | 0 | 113.9 | F50 P56 V407 | F50-Q54 HydrophobicContact CD2-CB 4.47Å; F50-Q54 HydrophobicContact CD2-CG 3.77Å; F50-Q54 HydrophobicContact CE1-CB 4.39Å; F50-Q54 HydrophobicContact CE2-CB 4.16Å; F50-Q54 HydrophobicContact CE2-CG 3.57Å; F50-Q54 HydrophobicContact CG-CG 4.4Å; F50-Q54 HydrophobicContact CZ-CB 4.1Å; F50-Q54 HydrophobicContact CZ-CG 4.03Å; F50-Q54 VanDerWaalsContact O-CB 3.3Å; F50-Q54 WeakPolarHBondContact O-CB 3.48Å; F50-Q54 WeakPolarHBondContact O-CG 3.06Å; F50-Q54 PolarHBondContact O-N 2.98Å; Q54-P56 WeakPolarHBondContact O-CD 3.12Å; Q54-V407 HydrophobicContact CB-CG1 4.12Å; Q54-V407 HydrophobicContact CB-CG2 3.86Å |
| 55 | C | 96.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 123.2 | -179.7 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | A51 R121 F162 P166 | A51-C55 WeakPolarHBondContact O-CB 3.42Å; A51-C55 PolarHBondContact O-N 3.32Å; C55-R121 PolarHBondContact O-NH2 2.78Å; C55-F162 HydrophobicContact CB-CD1 4.27Å; C55-F162 HydrophobicContact CB-CE1 3.7Å; C55-F162 HydrophobicContact CB-CE2 4.24Å; C55-F162 HydrophobicContact CB-CZ 3.67Å; C55-P166 HydrophobicContact CB-CG 4.24Å |
| 56 | P | 95.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 159.8 | 172.4 | 29 | -35.8 | 0 | 0 | 0 | 111.1 | Q54 M58 F410 | Q54-P56 WeakPolarHBondContact O-CD 3.12Å; P56-M58 HydrophobicContact CB-SD 4.25Å; P56-M58 HydrophobicContact CG-SD 3.76Å; P56-F410 HydrophobicContact CB-CB 4.25Å; P56-F410 HydrophobicContact CG-CB 4.09Å |
| 57 | I | 96.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 17% | 0.169 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 120.9 | 169.5 | -66.4 | 163.6 | 0 | 0 | 0 | 107.5 | D59 E62 V63 F117 F414 P442 | I57-D59 VanDerWaalsContact CG2-O 3.28Å; I57-D59 WeakPolarHBondContact CG2-O 3.36Å; I57-E62 HydrophobicContact CG2-CB 4.12Å; I57-V63 HydrophobicContact CD1-CG2 3.96Å; I57-V63 HydrophobicContact CG2-CG2 3.87Å; I57-F117 HydrophobicContact CD1-CE2 4.21Å; I57-F117 HydrophobicContact CD1-CZ 3.86Å; I57-F414 HydrophobicContact CD1-CE2 4.46Å; I57-F414 HydrophobicContact CD1-CZ 3.8Å; I57-F414 HydrophobicContact CG1-CE2 4.24Å; I57-F414 HydrophobicContact CG1-CZ 3.92Å; I57-P442 HydrophobicContact CD1-CB 4.49Å; I57-P442 WeakPolarHBondContact CD1-O 3.24Å |
| 58 | M | 88 | Confident | 96.8 | Very high | 86 Ų | 86 | 26 Ų | 26 | 42% | 0.424 | 13% | 0.131 | S | C | . | . | trans | -102.3 | -9.8 | -176.5 | -58.7 | -58.6 | -64.5 | 0 | 0 | 113 | P56 L406 | P56-M58 HydrophobicContact CB-SD 4.25Å; P56-M58 HydrophobicContact CG-SD 3.76Å; M58-L406 HydrophobicContact CE-CD2 4.3Å | ||
| 59 | D | 93.2 | Very high | 96.7 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | trans | -128.7 | 116.8 | -173 | -174.5 | -16 | 0 | 0 | 0 | 109.3 | I57 D61 E62 L169 R346 | I57-D59 VanDerWaalsContact CG2-O 3.28Å; I57-D59 WeakPolarHBondContact CG2-O 3.36Å; D59-D61 PolarHBondContact O-N 2.88Å; D59-D61 WeakPolarHBondContact OD1-CB 3.32Å; D59-D61 PolarHBondContact OD1-N 3.48Å; D59-E62 WeakPolarHBondContact O-CB 3.3Å; D59-E62 PolarHBondContact O-N 3.37Å; D59-E62 VanDerWaalsContact O-N 3.12Å; D59-L169 HydrophobicContact CB-CD1 4.46Å; D59-R346 IonicContact OD1-NH1 2.98Å; D59-R346 PolarHBondContact OD1-NH1 2.82Å; D59-R346 VanDerWaalsContact OD2-CD 3.25Å; D59-R346 WeakPolarHBondContact OD2-CD 3.39Å; D59-R346 WeakPolarHBondContact OD2-CG 3.37Å; D59-R346 IonicContact OD2-CZ 3.69Å; D59-R346 IonicContact OD2-NE 2.73Å; D59-R346 IonicContact OD2-NH1 3.12Å; D59-R346 PolarHBondContact OD2-NH1 3.14Å | ||
| 60 | C | 94.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 22.9 Ų | 22.9 | 24% | 0.243 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68 | -22.3 | -178.2 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | E62 V63 F64 W438 H439 | C60-E62 VanDerWaalsContact C-N 3.28Å; C60-E62 PolarHBondContact O-N 3.26Å; C60-V63 PolarHBondContact O-N 3.25Å; C60-V63 VanDerWaalsContact O-N 3.16Å; C60-F64 HydrophobicContact CB-CD2 4.12Å; C60-F64 HydrophobicContact CB-CE2 4.22Å; C60-F64 VanDerWaalsContact O-CD2 3.25Å; C60-F64 WeakPolarHBondContact O-CD2 3.4Å; C60-F64 PolarHBondContact O-N 3.2Å; C60-W438 HydrophobicContact CB-CZ3 4.42Å; C60-H439 HydrophobicContact CB-CB 4.11Å |
| 61 | D | 95.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 19 Ų | 19 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.1 | -28.2 | 173.6 | -74.1 | -40.1 | 0 | 0 | 0 | 111.8 | D59 V63 N65 Y66 R346 | D59-D61 PolarHBondContact O-N 2.88Å; D59-D61 WeakPolarHBondContact OD1-CB 3.32Å; D59-D61 PolarHBondContact OD1-N 3.48Å; D61-V63 PolarHBondContact O-N 3.42Å; D61-N65 HydrophobicContact CB-CB 4.27Å; D61-N65 WeakPolarHBondContact O-CA 3.32Å; D61-N65 WeakPolarHBondContact O-CB 3.35Å; D61-N65 PolarHBondContact O-N 3.09Å; D61-N65 PolarHBondContact OD1-ND2 3.41Å; D61-Y66 VanDerWaalsContact O-CD2 3.28Å; D61-Y66 WeakPolarHBondContact O-CD2 3.45Å; D61-R346 VanDerWaalsContact CG-NH1 3.33Å; D61-R346 IonicContact OD2-CZ 2.78Å; D61-R346 IonicContact OD2-NH1 3.31Å; D61-R346 PolarHBondContact OD2-NH1 2.89Å; D61-R346 IonicContact OD2-NH2 2.67Å; D61-R346 PolarHBondContact OD2-NH2 2.83Å |
| 62 | E | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -52.2 | -41.8 | 170.7 | -167.2 | -173.3 | 152.5 | 0 | 0 | 109.6 | I57 D59 C60 Y66 W67 R121 A167 L168 L169 | I57-E62 HydrophobicContact CG2-CB 4.12Å; D59-E62 WeakPolarHBondContact O-CB 3.3Å; D59-E62 PolarHBondContact O-N 3.37Å; D59-E62 VanDerWaalsContact O-N 3.12Å; C60-E62 VanDerWaalsContact C-N 3.28Å; C60-E62 PolarHBondContact O-N 3.26Å; E62-Y66 WeakPolarHBondContact O-CB 3.29Å; E62-Y66 PolarHBondContact O-N 3.1Å; E62-W67 PolarHBondContact O-N 2.99Å; E62-W67 PolarHBondContact OE1-NE1 3.28Å; E62-R121 IonicContact OE1-NH1 2.71Å; E62-R121 PolarHBondContact OE1-NH1 3.41Å; E62-R121 VanDerWaalsContact OE1-NH1 3.1Å; E62-A167 WeakPolarHBondContact OE1-CA 3.32Å; E62-A167 WeakPolarHBondContact OE2-CB 3.23Å; E62-L168 HydrophobicContact CG-CB 4.23Å; E62-L168 PolarHBondContact OE1-N 2.96Å; E62-L169 HydrophobicContact CB-CD1 4.48Å; E62-L169 HydrophobicContact CB-CD2 4.04Å; E62-L169 HydrophobicContact CB-CG 4.1Å; E62-L169 HydrophobicContact CG-CD2 4.45Å; E62-L169 HydrophobicContact CG-CG 4.1Å |
| 63 | V | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -76.4 | -67.5 | -179.7 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | I57 C60 D61 N65 Y66 W67 E68 F441 P442 | I57-V63 HydrophobicContact CD1-CG2 3.96Å; I57-V63 HydrophobicContact CG2-CG2 3.87Å; C60-V63 PolarHBondContact O-N 3.25Å; C60-V63 VanDerWaalsContact O-N 3.16Å; D61-V63 PolarHBondContact O-N 3.42Å; V63-N65 VanDerWaalsContact C-N 3.35Å; V63-N65 PolarHBondContact O-N 3.36Å; V63-Y66 PolarHBondContact O-N 3.45Å; V63-W67 PolarHBondContact O-N 3.46Å; V63-E68 HydrophobicContact CG1-CG 4.08Å; V63-E68 WeakPolarHBondContact O-CG 3.35Å; V63-E68 PolarHBondContact O-N 3.45Å; V63-F441 HydrophobicContact CG1-CD1 4.03Å; V63-F441 WeakPolarHBondContact CG2-O 3.38Å; V63-P442 WeakPolarHBondContact CG2-O 3.12Å |
| 64 | F | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -76.2 | -23.4 | -166.1 | -62 | -64.1 | 0 | 0 | 0 | 113.8 | C60 E68 L79 T81 W438 F441 L453 F455 P465 | C60-F64 HydrophobicContact CB-CD2 4.12Å; C60-F64 HydrophobicContact CB-CE2 4.22Å; C60-F64 VanDerWaalsContact O-CD2 3.25Å; C60-F64 WeakPolarHBondContact O-CD2 3.4Å; C60-F64 PolarHBondContact O-N 3.2Å; F64-E68 HydrophobicContact CD1-CG 4.1Å; F64-L79 HydrophobicContact CD1-CB 4.49Å; F64-T81 HydrophobicContact CB-CG2 3.98Å; F64-W438 HydrophobicContact CD2-CE3 4.4Å; F64-W438 HydrophobicContact CD2-CZ3 4.01Å; F64-W438 AromaticContact CE2-CE3 3.58Å; F64-W438 HydrophobicContact CE2-CE3 3.58Å; F64-W438 AromaticContact CE2-CZ3 3.62Å; F64-W438 HydrophobicContact CE2-CZ3 3.62Å; F64-W438 HydrophobicContact CZ-CE3 4.05Å; F64-W438 HydrophobicContact CZ-CZ3 4.47Å; F64-W438 WeakPolarHBondContact CZ-O 3.4Å; F64-F441 AromaticContact CE1-CD1 3.97Å; F64-F441 HydrophobicContact CE1-CD1 3.97Å; F64-F441 HydrophobicContact CZ-CB 4.26Å; F64-F441 HydrophobicContact CZ-CD1 4.16Å; F64-L453 HydrophobicContact CE1-CD2 4.45Å; F64-F455 HydrophobicContact CE1-CZ 4.46Å; F64-P465 HydrophobicContact CB-CB 4.46Å; F64-P465 HydrophobicContact CB-CG 3.83Å; F64-P465 HydrophobicContact CD1-CB 3.94Å; F64-P465 HydrophobicContact CD1-CG 3.45Å; F64-P465 VanDerWaalsContact CD1-CG 3.45Å; F64-P465 HydrophobicContact CD2-CG 4.01Å; F64-P465 HydrophobicContact CE1-CB 4.5Å; F64-P465 HydrophobicContact CE1-CG 3.93Å; F64-P465 HydrophobicContact CE2-CG 4.45Å; F64-P465 HydrophobicContact CG-CB 4.32Å; F64-P465 HydrophobicContact CG-CG 3.48Å; F64-P465 VanDerWaalsContact CG-CG 3.48Å; F64-P465 HydrophobicContact CZ-CG 4.4Å |
| 65 | N | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -97.2 | -14 | 176.6 | -86.7 | -47.5 | 0 | 0 | 0 | 113.7 | D61 V63 T81 E83 Y84 | D61-N65 HydrophobicContact CB-CB 4.27Å; D61-N65 WeakPolarHBondContact O-CA 3.32Å; D61-N65 WeakPolarHBondContact O-CB 3.35Å; D61-N65 PolarHBondContact O-N 3.09Å; D61-N65 PolarHBondContact OD1-ND2 3.41Å; V63-N65 VanDerWaalsContact C-N 3.35Å; V63-N65 PolarHBondContact O-N 3.36Å; N65-T81 WeakPolarHBondContact OD1-CB 3.38Å; N65-T81 WeakPolarHBondContact OD1-CG2 3.29Å; N65-T81 PolarHBondContact OD1-OG1 3.27Å; N65-E83 PolarHBondContact ND2-OE2 3.36Å; N65-E83 PolarHBondContact OD1-OE2 2.96Å; N65-Y84 WeakPolarHBondContact O-CE2 3.43Å; N65-Y84 PolarHBondContact O-OH 2.57Å |
| 66 | Y | 98.2 | Very high | 96 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -135.5 | -52.5 | -178.4 | -53.5 | -78.7 | 0 | 0 | 0 | 114.2 | D61 E62 V63 E68 L70 R91 F95 L96 L168 L169 P170 | D61-Y66 VanDerWaalsContact O-CD2 3.28Å; D61-Y66 WeakPolarHBondContact O-CD2 3.45Å; E62-Y66 WeakPolarHBondContact O-CB 3.29Å; E62-Y66 PolarHBondContact O-N 3.1Å; V63-Y66 PolarHBondContact O-N 3.45Å; Y66-E68 PolarHBondContact O-N 3.03Å; Y66-L70 WeakPolarHBondContact O-CB 3.21Å; Y66-L70 PolarHBondContact O-N 3.44Å; Y66-R91 PolarHBondContact OH-NH1 3.32Å; Y66-R91 VanDerWaalsContact OH-NH1 3.12Å; Y66-F95 AromaticContact CD1-CD1 3.95Å; Y66-F95 HydrophobicContact CD1-CD1 3.95Å; Y66-F95 AromaticContact CD1-CE1 3.72Å; Y66-F95 HydrophobicContact CD1-CE1 3.72Å; Y66-F95 HydrophobicContact CE1-CD1 4.13Å; Y66-F95 HydrophobicContact CE1-CE1 4.05Å; Y66-L96 HydrophobicContact CD1-CD2 4.1Å; Y66-L168 WeakPolarHBondContact CB-O 3.47Å; Y66-L168 WeakPolarHBondContact CD2-O 3.44Å; Y66-L169 HydrophobicContact CD2-CD2 3.92Å; Y66-L169 HydrophobicContact CE2-CD2 3.77Å; Y66-P170 HydrophobicContact CD1-CG 4.34Å; Y66-P170 VanDerWaalsContact CE1-CD 3.48Å; Y66-P170 HydrophobicContact CE1-CG 3.41Å; Y66-P170 VanDerWaalsContact CE1-CG 3.41Å; Y66-P170 HydrophobicContact CE2-CG 4.26Å; Y66-P170 VanDerWaalsContact OH-CD 3.29Å; Y66-P170 WeakPolarHBondContact OH-CD 3.44Å; Y66-P170 WeakPolarHBondContact OH-CG 3.47Å |
| 67 | W | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -62.8 | -41.6 | 178 | -71.5 | 113.2 | 0 | 0 | 0 | 112.6 | E62 V63 L70 H71 F117 L120 R121 L168 F445 | E62-W67 PolarHBondContact O-N 2.99Å; E62-W67 PolarHBondContact OE1-NE1 3.28Å; V63-W67 PolarHBondContact O-N 3.46Å; W67-L70 HydrophobicContact CE3-CD2 4.26Å; W67-L70 HydrophobicContact CZ3-CD2 4.31Å; W67-L70 PolarHBondContact O-N 2.97Å; W67-H71 WeakPolarHBondContact O-CB 3.38Å; W67-H71 PolarHBondContact O-N 3.5Å; W67-F117 AromaticContact CD2-CD2 3.85Å; W67-F117 HydrophobicContact CD2-CD2 3.85Å; W67-F117 AromaticContact CD2-CE2 3.71Å; W67-F117 HydrophobicContact CD2-CE2 3.71Å; W67-F117 AromaticContact CE2-CD2 3.96Å; W67-F117 AromaticContact CE2-CE2 3.49Å; W67-F117 VanDerWaalsContact CE2-CE2 3.49Å; W67-F117 AromaticContact CE3-CD2 3.67Å; W67-F117 HydrophobicContact CE3-CD2 3.67Å; W67-F117 HydrophobicContact CE3-CE2 4.04Å; W67-F117 HydrophobicContact CG-CE2 4.25Å; W67-F117 AromaticContact CH2-CD2 3.76Å; W67-F117 HydrophobicContact CH2-CD2 3.76Å; W67-F117 HydrophobicContact CH2-CE2 4.01Å; W67-F117 HydrophobicContact CH2-CG 4.37Å; W67-F117 AromaticContact CZ2-CD2 3.95Å; W67-F117 HydrophobicContact CZ2-CD2 3.95Å; W67-F117 AromaticContact CZ2-CE2 3.69Å; W67-F117 HydrophobicContact CZ2-CE2 3.69Å; W67-F117 HydrophobicContact CZ2-CZ 4.33Å; W67-F117 AromaticContact CZ3-CD2 3.61Å; W67-F117 HydrophobicContact CZ3-CD2 3.61Å; W67-F117 HydrophobicContact CZ3-CE2 4.16Å; W67-F117 HydrophobicContact CZ3-CG 4.34Å; W67-F117 AromaticContact NE1-CE2 3.88Å; W67-L120 HydrophobicContact CH2-CB 3.77Å; W67-L120 HydrophobicContact CH2-CD1 4.25Å; W67-L120 HydrophobicContact CZ3-CB 4.06Å; W67-L120 HydrophobicContact CZ3-CD1 3.68Å; W67-R121 HydrophobicContact CH2-CG 3.94Å; W67-R121 HydrophobicContact CZ2-CG 3.73Å; W67-L168 HydrophobicContact CD2-CB 4.29Å; W67-L168 HydrophobicContact CD2-CD2 3.59Å; W67-L168 HydrophobicContact CE3-CD2 3.76Å; W67-L168 HydrophobicContact CG-CD2 4.01Å; W67-L168 HydrophobicContact CH2-CB 4.45Å; W67-L168 HydrophobicContact CH2-CD2 4.36Å; W67-L168 HydrophobicContact CZ2-CB 3.71Å; W67-L168 HydrophobicContact CZ2-CD2 4.2Å; W67-L168 HydrophobicContact CZ3-CD2 4.16Å; W67-F445 HydrophobicContact CE3-CD2 4.03Å; W67-F445 AromaticContact CE3-CE2 3.82Å; W67-F445 HydrophobicContact CE3-CE2 3.82Å; W67-F445 HydrophobicContact CZ3-CE2 4.37Å |
| 68 | E | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.2 | -47.1 | -177.8 | -67.5 | -53.6 | 119.8 | 0 | 0 | 113.5 | V63 F64 Y66 L70 H71 L72 L79 S443 S444 | V63-E68 HydrophobicContact CG1-CG 4.08Å; V63-E68 WeakPolarHBondContact O-CG 3.35Å; V63-E68 PolarHBondContact O-N 3.45Å; F64-E68 HydrophobicContact CD1-CG 4.1Å; Y66-E68 PolarHBondContact O-N 3.03Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 2.97Å; E68-H71 WeakPolarHBondContact O-CB 3.46Å; E68-H71 PolarHBondContact O-N 3.37Å; E68-L72 PolarHBondContact O-N 2.97Å; E68-L79 HydrophobicContact CB-CB 4.14Å; E68-L79 WeakPolarHBondContact CB-O 3.48Å; E68-L79 HydrophobicContact CG-CB 4.16Å; E68-L79 HydrophobicContact CG-CD1 4.05Å; E68-L79 WeakPolarHBondContact OE2-CD1 3.28Å; E68-L79 PolarHBondContact OE2-N 3.16Å; E68-S443 WeakPolarHBondContact OE1-CA 3.21Å; E68-S443 VanDerWaalsContact OE1-CB 3.31Å; E68-S443 WeakPolarHBondContact OE1-CB 3.32Å; E68-S443 PolarHBondContact OE1-OG 3.33Å; E68-S444 PolarHBondContact OE1-N 2.82Å; E68-S444 PolarHBondContact OE1-OG 3.36Å; E68-S444 WeakPolarHBondContact OE2-CB 3.19Å; E68-S444 PolarHBondContact OE2-OG 3.15Å |
| 69 | P | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -31.2 | 169.9 | -24.8 | 36.2 | 0 | 0 | 0 | 113.2 | L72 L73 Y84 L96 F468 | P69-L72 WeakPolarHBondContact O-CB 3.01Å; P69-L72 PolarHBondContact O-N 3.24Å; P69-L73 WeakPolarHBondContact O-CG 2.95Å; P69-L73 PolarHBondContact O-N 3.32Å; P69-Y84 HydrophobicContact CB-CD1 4.42Å; P69-Y84 HydrophobicContact CB-CE1 3.89Å; P69-Y84 HydrophobicContact CB-CE2 4.18Å; P69-Y84 HydrophobicContact CG-CD1 4.48Å; P69-Y84 HydrophobicContact CG-CD2 3.89Å; P69-Y84 HydrophobicContact CG-CE1 4.12Å; P69-Y84 HydrophobicContact CG-CE2 3.51Å; P69-Y84 HydrophobicContact CG-CG 4.36Å; P69-L96 HydrophobicContact CB-CD1 3.68Å; P69-F468 HydrophobicContact CB-CE2 4.38Å; P69-F468 HydrophobicContact CB-CZ 4.47Å; P69-F468 HydrophobicContact CG-CE2 4.38Å |
| 70 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 172 | -174.5 | 66.6 | 0 | 0 | 0 | 111 | Y66 W67 E68 L72 L73 F74 L96 L103 L120 L168 | Y66-L70 WeakPolarHBondContact O-CB 3.21Å; Y66-L70 PolarHBondContact O-N 3.44Å; W67-L70 HydrophobicContact CE3-CD2 4.26Å; W67-L70 HydrophobicContact CZ3-CD2 4.31Å; W67-L70 PolarHBondContact O-N 2.97Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 2.97Å; L70-L72 PolarHBondContact O-N 3.14Å; L70-L73 PolarHBondContact O-N 3.43Å; L70-L73 VanDerWaalsContact O-N 3.15Å; L70-F74 HydrophobicContact CD1-CD2 3.78Å; L70-F74 HydrophobicContact CD1-CE2 3.55Å; L70-F74 HydrophobicContact CG-CD2 4.34Å; L70-F74 WeakPolarHBondContact O-CD2 3.05Å; L70-F74 PolarHBondContact O-N 2.88Å; L70-L96 HydrophobicContact CB-CD2 4.41Å; L70-L96 HydrophobicContact CD1-CB 4.16Å; L70-L103 HydrophobicContact CD1-CD1 3.83Å; L70-L103 HydrophobicContact CD2-CD1 4.22Å; L70-L103 HydrophobicContact CG-CD1 4.05Å; L70-L120 HydrophobicContact CD2-CD1 3.68Å; L70-L168 HydrophobicContact CD2-CD2 3.91Å |
| 71 | H | 96.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -35.9 | 174.5 | -170.3 | -85.5 | 0 | 0 | 0 | 111 | W67 E68 L73 F74 H75 S77 K113 S444 F445 | W67-H71 WeakPolarHBondContact O-CB 3.38Å; W67-H71 PolarHBondContact O-N 3.5Å; E68-H71 WeakPolarHBondContact O-CB 3.46Å; E68-H71 PolarHBondContact O-N 3.37Å; H71-L73 PolarHBondContact O-N 3.02Å; H71-F74 PolarHBondContact O-N 3.15Å; H71-H75 AromaticContact CD2-CD2 3.63Å; H71-H75 AromaticContact NE2-CD2 3.9Å; H71-H75 AromaticContact NE2-CG 3.87Å; H71-H75 WeakPolarHBondContact O-CA 3.39Å; H71-H75 VanDerWaalsContact O-CB 3.31Å; H71-H75 WeakPolarHBondContact O-CB 3.35Å; H71-H75 PolarHBondContact O-N 2.84Å; H71-S77 CarbonylContact C-O 3.2Å; H71-S77 PolarHBondContact CE1-OG 3.13Å; H71-S77 VanDerWaalsContact CE1-OG 3.31Å; H71-S77 PolarHBondContact ND1-O 3.44Å; H71-K113 PolarHBondContact NE2-NZ 3.28Å; H71-K113 VanDerWaalsContact NE2-NZ 3.19Å; H71-S444 PolarHBondContact NE2-O 3.39Å; H71-F445 HydrophobicContact CB-CD2 4.24Å; H71-F445 HydrophobicContact CB-CE2 3.79Å; H71-F445 HydrophobicContact CB-CZ 4.28Å; H71-F445 AromaticContact CD2-CD2 3.91Å; H71-F445 AromaticContact CD2-CG 3.92Å |
| 72 | L | 96.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58 | -51.7 | 172.4 | 174.1 | 73.9 | 0 | 0 | 0 | 111.2 | E68 P69 L70 F74 G76 S77 F468 I474 T478 | E68-L72 PolarHBondContact O-N 2.97Å; P69-L72 WeakPolarHBondContact O-CB 3.01Å; P69-L72 PolarHBondContact O-N 3.24Å; L70-L72 PolarHBondContact O-N 3.14Å; L72-F74 PolarHBondContact O-N 3.02Å; L72-G76 VanDerWaalsContact O-CA 3.25Å; L72-G76 WeakPolarHBondContact O-CA 3.37Å; L72-G76 PolarHBondContact O-N 3.19Å; L72-S77 WeakPolarHBondContact CA-O 3.37Å; L72-S77 PolarHBondContact N-O 3.33Å; L72-F468 HydrophobicContact CB-CD2 4.04Å; L72-F468 HydrophobicContact CB-CE2 4.15Å; L72-F468 HydrophobicContact CD1-CB 3.75Å; L72-F468 HydrophobicContact CD1-CD2 4.18Å; L72-F468 HydrophobicContact CD1-CG 3.98Å; L72-F468 HydrophobicContact CD2-CB 4.25Å; L72-F468 HydrophobicContact CD2-CD1 3.59Å; L72-F468 HydrophobicContact CD2-CD2 3.67Å; L72-F468 HydrophobicContact CD2-CE1 3.62Å; L72-F468 HydrophobicContact CD2-CE2 3.69Å; L72-F468 HydrophobicContact CD2-CG 3.59Å; L72-F468 HydrophobicContact CD2-CZ 3.63Å; L72-F468 HydrophobicContact CG-CD2 4.16Å; L72-F468 HydrophobicContact CG-CE2 4.43Å; L72-F468 HydrophobicContact CG-CG 4.25Å; L72-I474 HydrophobicContact CD1-CD1 4.22Å; L72-I474 HydrophobicContact CG-CD1 3.95Å; L72-I474 VanDerWaalsContact O-CD1 3.27Å; L72-I474 WeakPolarHBondContact O-CD1 3.3Å; L72-T478 HydrophobicContact CD2-CG2 3.61Å |
| 73 | L | 96.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 14.2 Ų | 14.2 | 15% | 0.152 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.6 | -28.7 | -173.2 | -67.8 | 175.2 | 0 | 0 | 0 | 113.6 | P69 L70 H71 Y93 L96 L97 F250 | P69-L73 WeakPolarHBondContact O-CG 2.95Å; P69-L73 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.43Å; L70-L73 VanDerWaalsContact O-N 3.15Å; H71-L73 PolarHBondContact O-N 3.02Å; L73-Y93 HydrophobicContact CD1-CD1 4.25Å; L73-Y93 HydrophobicContact CD2-CD1 4.16Å; L73-L96 HydrophobicContact CD1-CB 3.89Å; L73-L96 HydrophobicContact CD1-CD1 4.11Å; L73-L97 HydrophobicContact CD1-CD2 4.07Å; L73-L97 HydrophobicContact CD1-CG 4.26Å; L73-F250 HydrophobicContact CD2-CD1 4.18Å; L73-F250 HydrophobicContact CD2-CE1 3.48Å; L73-F250 VanDerWaalsContact CD2-CE1 3.48Å; L73-F250 HydrophobicContact CD2-CZ 3.92Å |
| 74 | F | 94.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 14.2 Ų | 14.2 | 27% | 0.268 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -112.9 | -24.5 | -173.8 | -69.1 | -92.1 | 0 | 0 | 0 | 114.5 | L70 H71 L72 T100 L103 | L70-F74 HydrophobicContact CD1-CD2 3.78Å; L70-F74 HydrophobicContact CD1-CE2 3.55Å; L70-F74 HydrophobicContact CG-CD2 4.34Å; L70-F74 WeakPolarHBondContact O-CD2 3.05Å; L70-F74 PolarHBondContact O-N 2.88Å; H71-F74 PolarHBondContact O-N 3.15Å; L72-F74 PolarHBondContact O-N 3.02Å; F74-T100 HydrophobicContact CE1-CG2 4.06Å; F74-T100 HydrophobicContact CZ-CG2 4.11Å; F74-L103 HydrophobicContact CB-CD1 4.34Å; F74-L103 HydrophobicContact CD1-CB 3.61Å; F74-L103 HydrophobicContact CD1-CD1 3.74Å; F74-L103 HydrophobicContact CD1-CG 4.26Å; F74-L103 HydrophobicContact CD2-CD1 3.31Å; F74-L103 HydrophobicContact CE1-CB 3.57Å; F74-L103 HydrophobicContact CE1-CD1 3.79Å; F74-L103 HydrophobicContact CE1-CG 4.32Å; F74-L103 HydrophobicContact CE2-CD1 3.38Å; F74-L103 HydrophobicContact CG-CB 4.22Å; F74-L103 HydrophobicContact CG-CD1 3.51Å; F74-L103 HydrophobicContact CG-CG 4.39Å; F74-L103 HydrophobicContact CZ-CB 4.16Å; F74-L103 HydrophobicContact CZ-CD1 3.63Å |
| 75 | H | 93.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 14.2 Ų | 14.2 | 25% | 0.245 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -119.6 | 3.4 | -179.5 | -65.3 | -72.1 | 0 | 0 | 0 | 113.6 | H71 S77 E116 F445 | H71-H75 AromaticContact CD2-CD2 3.63Å; H71-H75 AromaticContact NE2-CD2 3.9Å; H71-H75 AromaticContact NE2-CG 3.87Å; H71-H75 WeakPolarHBondContact O-CA 3.39Å; H71-H75 VanDerWaalsContact O-CB 3.31Å; H71-H75 WeakPolarHBondContact O-CB 3.35Å; H71-H75 PolarHBondContact O-N 2.84Å; H75-S77 PolarHBondContact O-N 3.31Å; H75-E116 IonicContact CD2-OE2 2.78Å; H75-E116 IonicContact CE1-OE1 3.77Å; H75-E116 IonicContact CE1-OE2 3.92Å; H75-E116 PolarHBondContact CE1-OE2 3.04Å; H75-E116 VanDerWaalsContact CE1-OE2 3.29Å; H75-E116 IonicContact NE2-OE1 3.93Å; H75-E116 IonicContact NE2-OE2 3.01Å; H75-E116 PolarHBondContact NE2-OE2 3.23Å; H75-F445 AromaticContact CD2-CE1 3.86Å; H75-F445 AromaticContact NE2-CE1 3.71Å |
| 76 | G | 93.7 | Very high | 96.4 | Very high | 41 Ų | 41 | 14.5 Ų | 14.5 | 42% | 0.423 | 9% | 0.086 | S | C | . | . | S | Bend | trans | 72.7 | 6.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L72 | L72-G76 VanDerWaalsContact O-CA 3.25Å; L72-G76 WeakPolarHBondContact O-CA 3.37Å; L72-G76 PolarHBondContact O-N 3.19Å |
| 77 | S | 94.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 20 Ų | 20 | 24% | 0.238 | 11% | 0.11 | C | C | . | . | trans | -146.4 | 159.8 | -179.4 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | H71 L72 H75 | H71-S77 CarbonylContact C-O 3.2Å; H71-S77 PolarHBondContact CE1-OG 3.13Å; H71-S77 VanDerWaalsContact CE1-OG 3.31Å; H71-S77 PolarHBondContact ND1-O 3.44Å; L72-S77 WeakPolarHBondContact CA-O 3.37Å; L72-S77 PolarHBondContact N-O 3.33Å; H75-S77 PolarHBondContact O-N 3.31Å | ||
| 78 | G | 95.8 | Very high | 96 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | trans | 158.7 | 177.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | P467 F468 | G78-P467 WeakPolarHBondContact O-CA 3.16Å; G78-F468 WeakPolarHBondContact O-CD2 3.38Å; G78-F468 PolarHBondContact O-N 3.17Å | ||
| 79 | L | 97.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 21.6 Ų | 21.6 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 152.4 | 173.6 | -59.8 | 95.9 | 0 | 0 | 0 | 112.5 | F64 E68 L453 F455 P465 K466 F468 | F64-L79 HydrophobicContact CD1-CB 4.49Å; E68-L79 HydrophobicContact CB-CB 4.14Å; E68-L79 WeakPolarHBondContact CB-O 3.48Å; E68-L79 HydrophobicContact CG-CB 4.16Å; E68-L79 HydrophobicContact CG-CD1 4.05Å; E68-L79 WeakPolarHBondContact OE2-CD1 3.28Å; E68-L79 PolarHBondContact OE2-N 3.16Å; L79-L453 HydrophobicContact CD1-CD2 4.24Å; L79-L453 HydrophobicContact CD2-CD2 4.31Å; L79-F455 HydrophobicContact CD2-CE2 3.63Å; L79-F455 HydrophobicContact CD2-CZ 3.65Å; L79-P465 HydrophobicContact CB-CB 3.94Å; L79-P465 HydrophobicContact CD2-CB 3.87Å; L79-K466 CarbonylContact C-O 3.59Å; L79-K466 WeakPolarHBondContact CA-O 3.34Å; L79-F468 VanDerWaalsContact O-CE2 3.26Å; L79-F468 WeakPolarHBondContact O-CE2 3.44Å |
| 80 | Q | 96.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.5 | 171 | 38.4 | 179.9 | -18.1 | 0 | 0 | 111.3 | P465 K466 F468 M485 | Q80-P465 CarbonylContact O-C 3.05Å; Q80-P465 WeakPolarHBondContact O-CA 3.24Å; Q80-K466 WeakPolarHBondContact CG-O 3.41Å; Q80-K466 PolarHBondContact N-O 3.06Å; Q80-K466 PolarHBondContact O-N 2.99Å; Q80-F468 HydrophobicContact CB-CD1 4.25Å; Q80-F468 HydrophobicContact CB-CD2 4.07Å; Q80-F468 HydrophobicContact CB-CE1 3.75Å; Q80-F468 HydrophobicContact CB-CE2 3.57Å; Q80-F468 HydrophobicContact CB-CG 4.42Å; Q80-F468 HydrophobicContact CB-CZ 3.43Å; Q80-F468 VanDerWaalsContact CB-CZ 3.43Å; Q80-F468 VanDerWaalsContact CD-CD1 3.41Å; Q80-F468 VanDerWaalsContact CD-CE1 3.44Å; Q80-F468 HydrophobicContact CG-CD1 3.86Å; Q80-F468 HydrophobicContact CG-CD2 4.05Å; Q80-F468 HydrophobicContact CG-CE1 3.85Å; Q80-F468 HydrophobicContact CG-CE2 4.05Å; Q80-F468 HydrophobicContact CG-CG 3.99Å; Q80-F468 HydrophobicContact CG-CZ 3.99Å; Q80-M485 HydrophobicContact CG-CE 4.36Å; Q80-M485 VanDerWaalsContact O-CE 3.22Å; Q80-M485 WeakPolarHBondContact O-CE 3.35Å |
| 81 | T | 96.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | trans | -90.7 | 171.6 | 161.9 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | F64 N65 E83 Y84 | F64-T81 HydrophobicContact CB-CG2 3.98Å; N65-T81 WeakPolarHBondContact OD1-CB 3.38Å; N65-T81 WeakPolarHBondContact OD1-CG2 3.29Å; N65-T81 PolarHBondContact OD1-OG1 3.27Å; T81-E83 PolarHBondContact O-N 3.47Å; T81-E83 VanDerWaalsContact O-N 3.12Å; T81-E83 WeakPolarHBondContact OG1-CB 3.36Å; T81-E83 PolarHBondContact OG1-N 3.48Å; T81-Y84 PolarHBondContact O-N 3.07Å | ||
| 82 | W | 95.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 24 Ų | 24 | 5% | 0.045 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -59.1 | -21.9 | 174 | 70.4 | -90.9 | 0 | 0 | 0 | 112.9 | Y84 S85 Y88 I90 Y264 Y275 M485 D487 | W82-Y84 VanDerWaalsContact C-N 3.25Å; W82-Y84 PolarHBondContact O-N 2.86Å; W82-S85 VanDerWaalsContact O-CB 3.24Å; W82-S85 WeakPolarHBondContact O-CB 3.18Å; W82-S85 PolarHBondContact O-N 3.47Å; W82-S85 VanDerWaalsContact O-N 3.08Å; W82-Y88 HydrophobicContact CE3-CD1 4.21Å; W82-Y88 AromaticContact CE3-CD2 3.63Å; W82-Y88 HydrophobicContact CE3-CD2 3.63Å; W82-Y88 HydrophobicContact CE3-CE2 4.04Å; W82-Y88 AromaticContact CE3-CG 3.72Å; W82-Y88 HydrophobicContact CE3-CG 3.72Å; W82-Y88 HydrophobicContact CZ3-CD1 4.03Å; W82-Y88 HydrophobicContact CZ3-CD2 4.21Å; W82-Y88 AromaticContact CZ3-CG 3.81Å; W82-Y88 HydrophobicContact CZ3-CG 3.81Å; W82-Y88 WeakPolarHBondContact O-CD2 3.41Å; W82-I90 HydrophobicContact CH2-CD1 3.52Å; W82-I90 HydrophobicContact CZ2-CD1 4.14Å; W82-I90 HydrophobicContact CZ3-CD1 3.98Å; W82-Y264 HydrophobicContact CH2-CD1 4.43Å; W82-Y264 HydrophobicContact CH2-CD2 4.05Å; W82-Y264 AromaticContact CH2-CE1 3.83Å; W82-Y264 HydrophobicContact CH2-CE1 3.83Å; W82-Y264 AromaticContact CH2-CE2 3.4Å; W82-Y264 HydrophobicContact CH2-CE2 3.4Å; W82-Y264 VanDerWaalsContact CH2-CE2 3.4Å; W82-Y264 AromaticContact CH2-CZ 3.27Å; W82-Y264 WeakPolarHBondContact CH2-OH 3.49Å; W82-Y264 HydrophobicContact CZ2-CE1 4.28Å; W82-Y264 HydrophobicContact CZ2-CE2 4.33Å; W82-Y264 AromaticContact CZ2-CZ 3.81Å; W82-Y264 WeakPolarHBondContact CZ2-OH 3.33Å; W82-Y264 HydrophobicContact CZ3-CD2 4.44Å; W82-Y264 AromaticContact CZ3-CE2 3.95Å; W82-Y264 HydrophobicContact CZ3-CE2 3.95Å; W82-Y275 VanDerWaalsContact CE2-OH 3.32Å; W82-Y275 VanDerWaalsContact CZ2-OH 3.25Å; W82-Y275 WeakPolarHBondContact CZ2-OH 3.34Å; W82-Y275 PolarHBondContact NE1-OH 2.64Å; W82-M485 WeakPolarHBondContact CA-SD 3.49Å; W82-M485 HydrophobicContact CB-CG 3.56Å; W82-M485 HydrophobicContact CB-SD 3.98Å; W82-D487 HydrophobicContact CD2-CB 4.08Å; W82-D487 HydrophobicContact CE3-CB 3.58Å; W82-D487 HydrophobicContact CH2-CB 4.24Å; W82-D487 HydrophobicContact CZ3-CB 3.67Å |
| 83 | E | 95.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 24 Ų | 24 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -69.7 | -23.5 | -177.6 | -51.8 | -170.6 | 144.4 | 0 | 0 | 113.2 | N65 T81 I90 R91 | N65-E83 PolarHBondContact ND2-OE2 3.36Å; N65-E83 PolarHBondContact OD1-OE2 2.96Å; T81-E83 PolarHBondContact O-N 3.47Å; T81-E83 VanDerWaalsContact O-N 3.12Å; T81-E83 WeakPolarHBondContact OG1-CB 3.36Å; T81-E83 PolarHBondContact OG1-N 3.48Å; E83-I90 HydrophobicContact CB-CD1 3.82Å; E83-I90 HydrophobicContact CB-CG1 3.54Å; E83-I90 HydrophobicContact CG-CD1 3.73Å; E83-I90 HydrophobicContact CG-CG1 4.07Å; E83-I90 PolarHBondContact O-N 2.97Å; E83-I90 VanDerWaalsContact O-N 3.08Å; E83-R91 HydrophobicContact CB-CG 3.7Å; E83-R91 VanDerWaalsContact CD-NH2 3.27Å; E83-R91 PolarHBondContact O-N 3.43Å; E83-R91 IonicContact OE1-CZ 3.88Å; E83-R91 IonicContact OE1-NH2 3.68Å; E83-R91 PolarHBondContact OE1-NH2 2.99Å; E83-R91 VanDerWaalsContact OE1-NH2 3.1Å; E83-R91 IonicContact OE2-CZ 2.64Å; E83-R91 IonicContact OE2-NE 3.1Å; E83-R91 PolarHBondContact OE2-NE 3.27Å; E83-R91 IonicContact OE2-NH2 3.93Å; E83-R91 PolarHBondContact OE2-NH2 2.88Å |
| 84 | Y | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -92.2 | -3.7 | 173 | -83.2 | -85.7 | 0 | 0 | 0 | 114 | N65 P69 T81 W82 R91 Y93 L96 Y251 | N65-Y84 WeakPolarHBondContact O-CE2 3.43Å; N65-Y84 PolarHBondContact O-OH 2.57Å; P69-Y84 HydrophobicContact CB-CD1 4.42Å; P69-Y84 HydrophobicContact CB-CE1 3.89Å; P69-Y84 HydrophobicContact CB-CE2 4.18Å; P69-Y84 HydrophobicContact CG-CD1 4.48Å; P69-Y84 HydrophobicContact CG-CD2 3.89Å; P69-Y84 HydrophobicContact CG-CE1 4.12Å; P69-Y84 HydrophobicContact CG-CE2 3.51Å; P69-Y84 HydrophobicContact CG-CG 4.36Å; T81-Y84 PolarHBondContact O-N 3.07Å; W82-Y84 VanDerWaalsContact C-N 3.25Å; W82-Y84 PolarHBondContact O-N 2.86Å; Y84-R91 HydrophobicContact CD1-CB 4.24Å; Y84-R91 HydrophobicContact CD2-CB 3.91Å; Y84-R91 HydrophobicContact CD2-CG 4.03Å; Y84-R91 HydrophobicContact CE1-CB 3.83Å; Y84-R91 HydrophobicContact CE2-CB 3.39Å; Y84-R91 HydrophobicContact CE2-CG 3.61Å; Y84-R91 HydrophobicContact CG-CB 4.3Å; Y84-Y93 AromaticContact CD1-CE1 3.88Å; Y84-Y93 HydrophobicContact CD1-CE1 3.88Å; Y84-Y93 AromaticContact CD1-CE2 3.85Å; Y84-Y93 HydrophobicContact CD1-CE2 3.85Å; Y84-Y93 AromaticContact CD1-CZ 3.49Å; Y84-Y93 VanDerWaalsContact CD1-CZ 3.49Å; Y84-Y93 HydrophobicContact CE1-CD1 4.18Å; Y84-Y93 HydrophobicContact CE1-CD2 4.5Å; Y84-Y93 AromaticContact CE1-CE1 3.89Å; Y84-Y93 HydrophobicContact CE1-CE1 3.89Å; Y84-Y93 HydrophobicContact CE1-CE2 4.24Å; Y84-Y93 HydrophobicContact CE1-CG 4.49Å; Y84-Y93 AromaticContact CE1-CZ 3.94Å; Y84-L96 HydrophobicContact CE1-CD1 4.41Å; Y84-Y251 WeakPolarHBondContact O-CE1 3.24Å |
| 85 | S | 96.2 | Very high | 96 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -65.1 | 132.3 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 109.6 | W82 K87 Y88 A89 | W82-S85 VanDerWaalsContact O-CB 3.24Å; W82-S85 WeakPolarHBondContact O-CB 3.18Å; W82-S85 PolarHBondContact O-N 3.47Å; W82-S85 VanDerWaalsContact O-N 3.08Å; S85-K87 PolarHBondContact O-N 2.96Å; S85-K87 WeakPolarHBondContact OG-CB 3.3Å; S85-K87 PolarHBondContact OG-N 3.07Å; S85-Y88 PolarHBondContact O-N 2.9Å; S85-A89 PolarHBondContact O-N 3.4Å |
| 86 | P | 96.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 5% | 0.045 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -19.9 | 173.8 | -27.2 | 34 | 0 | 0 | 0 | 114.4 | Y251 K253 T478 R479 I481 | P86-Y251 HydrophobicContact CB-CD1 4.12Å; P86-Y251 HydrophobicContact CG-CD1 4.14Å; P86-K253 WeakPolarHBondContact O-CE 3.25Å; P86-K253 PolarHBondContact O-NZ 3.4Å; P86-T478 VanDerWaalsContact CG-O 3.22Å; P86-T478 WeakPolarHBondContact CG-O 3.01Å; P86-R479 WeakPolarHBondContact CG-O 3.35Å; P86-I481 HydrophobicContact CB-CG1 4.23Å; P86-I481 HydrophobicContact CG-CG1 4.48Å |
| 87 | K | 94.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 17.3 Ų | 17.3 | 54% | 0.543 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -46.2 | 172.3 | -174.2 | 178.7 | 173.7 | -162.5 | 0 | 111.6 | S85 K253 | S85-K87 PolarHBondContact O-N 2.96Å; S85-K87 WeakPolarHBondContact OG-CB 3.3Å; S85-K87 PolarHBondContact OG-N 3.07Å; K87-K253 PolarHBondContact O-NZ 3.48Å |
| 88 | Y | 93.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 18.8 Ų | 18.8 | 14% | 0.137 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -43.4 | -173.1 | -52.6 | -77.2 | 0 | 0 | 0 | 112.7 | W82 S85 I90 D487 | W82-Y88 HydrophobicContact CE3-CD1 4.21Å; W82-Y88 AromaticContact CE3-CD2 3.63Å; W82-Y88 HydrophobicContact CE3-CD2 3.63Å; W82-Y88 HydrophobicContact CE3-CE2 4.04Å; W82-Y88 AromaticContact CE3-CG 3.72Å; W82-Y88 HydrophobicContact CE3-CG 3.72Å; W82-Y88 HydrophobicContact CZ3-CD1 4.03Å; W82-Y88 HydrophobicContact CZ3-CD2 4.21Å; W82-Y88 AromaticContact CZ3-CG 3.81Å; W82-Y88 HydrophobicContact CZ3-CG 3.81Å; W82-Y88 WeakPolarHBondContact O-CD2 3.41Å; S85-Y88 PolarHBondContact O-N 2.9Å; Y88-I90 WeakPolarHBondContact O-CG2 3.27Å; Y88-I90 PolarHBondContact O-N 3.36Å; Y88-D487 HydrophobicContact CD1-CB 4.23Å; Y88-D487 HydrophobicContact CE1-CB 3.56Å; Y88-D487 WeakPolarHBondContact CE1-OD2 3.5Å; Y88-D487 HydrophobicContact CE2-CB 4.27Å; Y88-D487 VanDerWaalsContact CZ-CG 3.49Å; Y88-D487 VanDerWaalsContact OH-CG 3.23Å; Y88-D487 PolarHBondContact OH-OD1 3.01Å |
| 89 | A | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 47.9 | 53.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S85 Y251 V255 N260 | S85-A89 PolarHBondContact O-N 3.4Å; A89-Y251 HydrophobicContact CB-CD1 3.72Å; A89-Y251 HydrophobicContact CB-CD2 3.86Å; A89-Y251 HydrophobicContact CB-CE1 3.55Å; A89-Y251 HydrophobicContact CB-CE2 3.75Å; A89-Y251 HydrophobicContact CB-CG 3.85Å; A89-V255 HydrophobicContact CB-CG1 4.07Å; A89-V255 HydrophobicContact CB-CG2 3.86Å; A89-N260 PolarHBondContact O-ND2 3.35Å | ||
| 90 | I | 95.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.046 | 11% | 0.107 | C | C | . | . | trans | -98.9 | -9.8 | -177.8 | 71.3 | 175.9 | 0 | 0 | 0 | 112.8 | W82 E83 Y88 N260 I261 Y264 | W82-I90 HydrophobicContact CH2-CD1 3.52Å; W82-I90 HydrophobicContact CZ2-CD1 4.14Å; W82-I90 HydrophobicContact CZ3-CD1 3.98Å; E83-I90 HydrophobicContact CB-CD1 3.82Å; E83-I90 HydrophobicContact CB-CG1 3.54Å; E83-I90 HydrophobicContact CG-CD1 3.73Å; E83-I90 HydrophobicContact CG-CG1 4.07Å; E83-I90 PolarHBondContact O-N 2.97Å; E83-I90 VanDerWaalsContact O-N 3.08Å; Y88-I90 WeakPolarHBondContact O-CG2 3.27Å; Y88-I90 PolarHBondContact O-N 3.36Å; I90-N260 HydrophobicContact CG2-CB 4.12Å; I90-I261 HydrophobicContact CB-CG1 4.03Å; I90-I261 WeakPolarHBondContact O-CD1 3.4Å; I90-I261 WeakPolarHBondContact O-CG1 3.22Å; I90-Y264 HydrophobicContact CD1-CD1 4.49Å | ||
| 91 | R | 96.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -105.3 | 143.3 | 172.1 | -60.7 | -61.4 | -177.6 | -163.7 | -1.9 | 111 | Y66 E83 Y84 Y251 | Y66-R91 PolarHBondContact OH-NH1 3.32Å; Y66-R91 VanDerWaalsContact OH-NH1 3.12Å; E83-R91 HydrophobicContact CB-CG 3.7Å; E83-R91 VanDerWaalsContact CD-NH2 3.27Å; E83-R91 PolarHBondContact O-N 3.43Å; E83-R91 IonicContact OE1-CZ 3.88Å; E83-R91 IonicContact OE1-NH2 3.68Å; E83-R91 PolarHBondContact OE1-NH2 2.99Å; E83-R91 VanDerWaalsContact OE1-NH2 3.1Å; E83-R91 IonicContact OE2-CZ 2.64Å; E83-R91 IonicContact OE2-NE 3.1Å; E83-R91 PolarHBondContact OE2-NE 3.27Å; E83-R91 IonicContact OE2-NH2 3.93Å; E83-R91 PolarHBondContact OE2-NH2 2.88Å; Y84-R91 HydrophobicContact CD1-CB 4.24Å; Y84-R91 HydrophobicContact CD2-CB 3.91Å; Y84-R91 HydrophobicContact CD2-CG 4.03Å; Y84-R91 HydrophobicContact CE1-CB 3.83Å; Y84-R91 HydrophobicContact CE2-CB 3.39Å; Y84-R91 HydrophobicContact CE2-CG 3.61Å; Y84-R91 HydrophobicContact CG-CB 4.3Å; R91-Y251 WeakPolarHBondContact O-CE2 3.43Å; R91-Y251 PolarHBondContact O-OH 3.12Å |
| 92 | S | 97.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | trans | -94.9 | 127.2 | -177 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | A94 F95 D247 | S92-A94 VanDerWaalsContact C-N 3.31Å; S92-A94 WeakPolarHBondContact OG-CB 3.47Å; S92-A94 PolarHBondContact OG-N 3.14Å; S92-F95 PolarHBondContact OG-N 3.49Å; S92-D247 WeakPolarHBondContact CA-OD1 3.48Å; S92-D247 WeakPolarHBondContact CB-OD2 3.49Å; S92-D247 PolarHBondContact OG-OD1 3.22Å; S92-D247 PolarHBondContact OG-OD2 3.25Å | ||
| 93 | Y | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -73 | -30.2 | 167.3 | -72.8 | -82.1 | 0 | 0 | 0 | 110.5 | L73 Y84 F95 L96 L97 D247 F250 Y251 T478 | L73-Y93 HydrophobicContact CD1-CD1 4.25Å; L73-Y93 HydrophobicContact CD2-CD1 4.16Å; Y84-Y93 AromaticContact CD1-CE1 3.88Å; Y84-Y93 HydrophobicContact CD1-CE1 3.88Å; Y84-Y93 AromaticContact CD1-CE2 3.85Å; Y84-Y93 HydrophobicContact CD1-CE2 3.85Å; Y84-Y93 AromaticContact CD1-CZ 3.49Å; Y84-Y93 VanDerWaalsContact CD1-CZ 3.49Å; Y84-Y93 HydrophobicContact CE1-CD1 4.18Å; Y84-Y93 HydrophobicContact CE1-CD2 4.5Å; Y84-Y93 AromaticContact CE1-CE1 3.89Å; Y84-Y93 HydrophobicContact CE1-CE1 3.89Å; Y84-Y93 HydrophobicContact CE1-CE2 4.24Å; Y84-Y93 HydrophobicContact CE1-CG 4.49Å; Y84-Y93 AromaticContact CE1-CZ 3.94Å; Y93-F95 PolarHBondContact O-N 3.3Å; Y93-L96 PolarHBondContact O-N 3.3Å; Y93-L97 PolarHBondContact O-N 3.31Å; Y93-D247 PolarHBondContact N-OD1 3.35Å; Y93-F250 HydrophobicContact CD1-CB 4.35Å; Y93-F250 HydrophobicContact CD1-CD1 4.25Å; Y93-F250 HydrophobicContact CD1-CG 4.16Å; Y93-F250 HydrophobicContact CD2-CB 3.33Å; Y93-F250 HydrophobicContact CD2-CD2 4.47Å; Y93-F250 AromaticContact CD2-CG 3.95Å; Y93-F250 HydrophobicContact CD2-CG 3.95Å; Y93-F250 HydrophobicContact CE2-CB 3.68Å; Y93-F250 HydrophobicContact CE2-CG 4.48Å; Y93-F250 HydrophobicContact CG-CB 3.7Å; Y93-F250 HydrophobicContact CG-CD1 4.31Å; Y93-F250 HydrophobicContact CG-CD2 4.05Å; Y93-F250 AromaticContact CG-CG 3.75Å; Y93-F250 HydrophobicContact CG-CG 3.75Å; Y93-Y251 HydrophobicContact CD2-CD2 4.34Å; Y93-Y251 AromaticContact CD2-CE2 3.88Å; Y93-Y251 HydrophobicContact CD2-CE2 3.88Å; Y93-Y251 HydrophobicContact CE2-CD1 4.31Å; Y93-Y251 HydrophobicContact CE2-CD2 4.46Å; Y93-Y251 AromaticContact CE2-CE1 3.88Å; Y93-Y251 HydrophobicContact CE2-CE1 3.88Å; Y93-Y251 HydrophobicContact CE2-CE2 4.01Å; Y93-Y251 AromaticContact CE2-CZ 3.7Å; Y93-T478 HydrophobicContact CE1-CG2 3.9Å; Y93-T478 WeakPolarHBondContact OH-CB 3.47Å; Y93-T478 WeakPolarHBondContact OH-CG2 3.37Å |
| 94 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S92 L96 L97 V98 Y242 M243 I246 D247 | S92-A94 VanDerWaalsContact C-N 3.31Å; S92-A94 WeakPolarHBondContact OG-CB 3.47Å; S92-A94 PolarHBondContact OG-N 3.14Å; A94-L96 VanDerWaalsContact C-N 3.34Å; A94-L96 PolarHBondContact O-N 3Å; A94-L97 PolarHBondContact O-N 3.38Å; A94-V98 PolarHBondContact O-N 3.27Å; A94-Y242 HydrophobicContact CB-CD1 4.26Å; A94-Y242 HydrophobicContact CB-CE1 3.76Å; A94-Y242 PolarHBondContact O-OH 3.17Å; A94-M243 HydrophobicContact CB-CB 4.32Å; A94-M243 HydrophobicContact CB-CG 4.17Å; A94-I246 HydrophobicContact CB-CB 3.99Å; A94-I246 HydrophobicContact CB-CD1 4.41Å; A94-I246 HydrophobicContact CB-CG2 3.73Å; A94-D247 PolarHBondContact N-OD1 3.38Å |
| 95 | F | 98.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 172.7 | 173.1 | -103.4 | 0 | 0 | 0 | 112.6 | Y66 S92 Y93 F99 L168 P170 V173 | Y66-F95 AromaticContact CD1-CD1 3.95Å; Y66-F95 HydrophobicContact CD1-CD1 3.95Å; Y66-F95 AromaticContact CD1-CE1 3.72Å; Y66-F95 HydrophobicContact CD1-CE1 3.72Å; Y66-F95 HydrophobicContact CE1-CD1 4.13Å; Y66-F95 HydrophobicContact CE1-CE1 4.05Å; S92-F95 PolarHBondContact OG-N 3.49Å; Y93-F95 PolarHBondContact O-N 3.3Å; F95-F99 HydrophobicContact CD1-CE2 4.45Å; F95-F99 HydrophobicContact CE1-CE2 4.12Å; F95-F99 HydrophobicContact CE1-CZ 4.35Å; F95-F99 HydrophobicContact CE2-CZ 4.22Å; F95-F99 HydrophobicContact CZ-CE2 4.27Å; F95-F99 HydrophobicContact CZ-CZ 4.03Å; F95-F99 VanDerWaalsContact O-CE2 3.31Å; F95-F99 WeakPolarHBondContact O-CE2 3.3Å; F95-L168 HydrophobicContact CE1-CD1 4.34Å; F95-P170 HydrophobicContact CD1-CG 4.38Å; F95-P170 HydrophobicContact CE1-CG 3.98Å; F95-P170 HydrophobicContact CE2-CB 4.31Å; F95-P170 HydrophobicContact CE2-CG 4.38Å; F95-P170 HydrophobicContact CZ-CB 4.27Å; F95-P170 HydrophobicContact CZ-CG 3.98Å; F95-V173 HydrophobicContact CE2-CB 4.02Å; F95-V173 HydrophobicContact CE2-CG1 4.35Å; F95-V173 HydrophobicContact CE2-CG2 3.84Å; F95-V173 HydrophobicContact CZ-CB 4.43Å; F95-V173 HydrophobicContact CZ-CG2 3.83Å |
| 96 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.9 | -37.1 | -178.8 | -60.6 | 177.4 | 0 | 0 | 0 | 112.4 | Y66 P69 L70 L73 Y84 Y93 A94 V98 F99 | Y66-L96 HydrophobicContact CD1-CD2 4.1Å; P69-L96 HydrophobicContact CB-CD1 3.68Å; L70-L96 HydrophobicContact CB-CD2 4.41Å; L70-L96 HydrophobicContact CD1-CB 4.16Å; L73-L96 HydrophobicContact CD1-CB 3.89Å; L73-L96 HydrophobicContact CD1-CD1 4.11Å; Y84-L96 HydrophobicContact CE1-CD1 4.41Å; Y93-L96 PolarHBondContact O-N 3.3Å; A94-L96 VanDerWaalsContact C-N 3.34Å; A94-L96 PolarHBondContact O-N 3Å; L96-V98 PolarHBondContact O-N 3.36Å; L96-F99 WeakPolarHBondContact O-CD2 2.84Å; L96-F99 PolarHBondContact O-N 2.8Å; L96-F99 VanDerWaalsContact O-N 3.13Å |
| 97 | L | 97.3 | Very high | 96 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.5 | -14 | -177.5 | -73.8 | 175 | 0 | 0 | 0 | 114.1 | L73 Y93 A94 F99 T100 I246 F250 | L73-L97 HydrophobicContact CD1-CD2 4.07Å; L73-L97 HydrophobicContact CD1-CG 4.26Å; Y93-L97 PolarHBondContact O-N 3.31Å; A94-L97 PolarHBondContact O-N 3.38Å; L97-F99 PolarHBondContact O-N 2.88Å; L97-F99 VanDerWaalsContact O-N 3.15Å; L97-T100 VanDerWaalsContact O-CB 3.3Å; L97-T100 WeakPolarHBondContact O-CB 3.36Å; L97-T100 PolarHBondContact O-N 3.22Å; L97-T100 VanDerWaalsContact O-N 3.12Å; L97-T100 PolarHBondContact O-OG1 2.81Å; L97-I246 HydrophobicContact CD1-CG2 3.66Å; L97-F250 HydrophobicContact CD1-CD2 4.5Å; L97-F250 HydrophobicContact CD1-CE2 3.49Å; L97-F250 VanDerWaalsContact CD1-CE2 3.49Å; L97-F250 HydrophobicContact CD1-CZ 3.92Å |
| 98 | V | 96 | Very high | 96.1 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 39% | 0.394 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.4 | 169.7 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | A94 L96 P101 L203 Y242 | A94-V98 PolarHBondContact O-N 3.27Å; L96-V98 PolarHBondContact O-N 3.36Å; V98-P101 WeakPolarHBondContact O-CD 3.49Å; V98-L203 HydrophobicContact CG2-CD1 4.34Å; V98-L203 HydrophobicContact CG2-CD2 4.1Å; V98-Y242 HydrophobicContact CG2-CE1 4.24Å |
| 99 | F | 92.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.7 | -177.9 | -44.5 | -48.4 | 0 | 0 | 0 | 113.8 | F95 L96 L97 P101 V102 L103 L120 F124 L168 | F95-F99 HydrophobicContact CD1-CE2 4.45Å; F95-F99 HydrophobicContact CE1-CE2 4.12Å; F95-F99 HydrophobicContact CE1-CZ 4.35Å; F95-F99 HydrophobicContact CE2-CZ 4.22Å; F95-F99 HydrophobicContact CZ-CE2 4.27Å; F95-F99 HydrophobicContact CZ-CZ 4.03Å; F95-F99 VanDerWaalsContact O-CE2 3.31Å; F95-F99 WeakPolarHBondContact O-CE2 3.3Å; L96-F99 WeakPolarHBondContact O-CD2 2.84Å; L96-F99 PolarHBondContact O-N 2.8Å; L96-F99 VanDerWaalsContact O-N 3.13Å; L97-F99 PolarHBondContact O-N 2.88Å; L97-F99 VanDerWaalsContact O-N 3.15Å; F99-P101 VanDerWaalsContact C-CD 3.44Å; F99-V102 PolarHBondContact O-N 2.96Å; F99-V102 VanDerWaalsContact O-N 3.08Å; F99-L103 PolarHBondContact O-N 2.86Å; F99-L120 HydrophobicContact CB-CD2 3.92Å; F99-F124 AromaticContact CD1-CE1 3.66Å; F99-F124 HydrophobicContact CD1-CE1 3.66Å; F99-F124 AromaticContact CD1-CZ 3.78Å; F99-F124 HydrophobicContact CD1-CZ 3.78Å; F99-F124 HydrophobicContact CD2-CZ 4.14Å; F99-F124 AromaticContact CE1-CE1 3.31Å; F99-F124 HydrophobicContact CE1-CE1 3.31Å; F99-F124 AromaticContact CE1-CZ 3.73Å; F99-F124 HydrophobicContact CE1-CZ 3.73Å; F99-F124 HydrophobicContact CE2-CE1 4.36Å; F99-F124 HydrophobicContact CE2-CZ 4.05Å; F99-F124 HydrophobicContact CG-CE1 4.36Å; F99-F124 HydrophobicContact CG-CZ 4.01Å; F99-F124 AromaticContact CZ-CE1 3.68Å; F99-F124 HydrophobicContact CZ-CE1 3.68Å; F99-F124 AromaticContact CZ-CZ 3.84Å; F99-F124 HydrophobicContact CZ-CZ 3.84Å; F99-L168 HydrophobicContact CD2-CD1 4Å; F99-L168 HydrophobicContact CE2-CD1 3.45Å; F99-L168 VanDerWaalsContact CE2-CD1 3.45Å; F99-L168 HydrophobicContact CZ-CD1 4.02Å |
| 100 | T | 94.6 | Very high | 96.1 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -49.9 | -45 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 113.9 | F74 L97 V102 L103 K104 | F74-T100 HydrophobicContact CE1-CG2 4.06Å; F74-T100 HydrophobicContact CZ-CG2 4.11Å; L97-T100 VanDerWaalsContact O-CB 3.3Å; L97-T100 WeakPolarHBondContact O-CB 3.36Å; L97-T100 PolarHBondContact O-N 3.22Å; L97-T100 VanDerWaalsContact O-N 3.12Å; L97-T100 PolarHBondContact O-OG1 2.81Å; T100-V102 VanDerWaalsContact C-N 3.27Å; T100-V102 PolarHBondContact O-N 3.37Å; T100-L103 PolarHBondContact O-N 2.87Å; T100-K104 WeakPolarHBondContact O-CB 3.49Å; T100-K104 PolarHBondContact O-N 3.42Å |
| 101 | P | 95.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 62% | 0.623 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.8 | -36 | -179.3 | -24.2 | 35.6 | 0 | 0 | 0 | 113.2 | V98 F99 L105 | V98-P101 WeakPolarHBondContact O-CD 3.49Å; F99-P101 VanDerWaalsContact C-CD 3.44Å; P101-L105 WeakPolarHBondContact O-CB 3.22Å; P101-L105 PolarHBondContact O-N 2.96Å; P101-L105 VanDerWaalsContact O-N 3.12Å |
| 102 | V | 96.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 53 Ų | 53 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | F99 T100 L105 C106 V119 L120 | F99-V102 PolarHBondContact O-N 2.96Å; F99-V102 VanDerWaalsContact O-N 3.08Å; T100-V102 VanDerWaalsContact C-N 3.27Å; T100-V102 PolarHBondContact O-N 3.37Å; V102-L105 WeakPolarHBondContact O-CB 3.36Å; V102-L105 PolarHBondContact O-N 3.4Å; V102-C106 PolarHBondContact O-N 3.46Å; V102-C106 PolarHBondContact O-SG 3.36Å; V102-V119 HydrophobicContact CG1-CG1 3.83Å; V102-L120 HydrophobicContact CB-CD2 4Å; V102-L120 HydrophobicContact CG1-CD2 3.8Å; V102-L120 HydrophobicContact CG1-CG 4.3Å |
| 103 | L | 95.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 179.4 | -75.6 | 167.7 | 0 | 0 | 0 | 112 | L70 F74 F99 T100 L105 C106 E107 E116 L120 | L70-L103 HydrophobicContact CD1-CD1 3.83Å; L70-L103 HydrophobicContact CD2-CD1 4.22Å; L70-L103 HydrophobicContact CG-CD1 4.05Å; F74-L103 HydrophobicContact CB-CD1 4.34Å; F74-L103 HydrophobicContact CD1-CB 3.61Å; F74-L103 HydrophobicContact CD1-CD1 3.74Å; F74-L103 HydrophobicContact CD1-CG 4.26Å; F74-L103 HydrophobicContact CD2-CD1 3.31Å; F74-L103 HydrophobicContact CE1-CB 3.57Å; F74-L103 HydrophobicContact CE1-CD1 3.79Å; F74-L103 HydrophobicContact CE1-CG 4.32Å; F74-L103 HydrophobicContact CE2-CD1 3.38Å; F74-L103 HydrophobicContact CG-CB 4.22Å; F74-L103 HydrophobicContact CG-CD1 3.51Å; F74-L103 HydrophobicContact CG-CG 4.39Å; F74-L103 HydrophobicContact CZ-CB 4.16Å; F74-L103 HydrophobicContact CZ-CD1 3.63Å; F99-L103 PolarHBondContact O-N 2.86Å; T100-L103 PolarHBondContact O-N 2.87Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 2.71Å; L103-C106 WeakPolarHBondContact O-CB 3.3Å; L103-C106 PolarHBondContact O-N 3.4Å; L103-C106 VanDerWaalsContact O-N 3.09Å; L103-E107 PolarHBondContact O-N 3.36Å; L103-E116 HydrophobicContact CD2-CB 4.11Å; L103-L120 HydrophobicContact CD1-CD1 4.16Å; L103-L120 HydrophobicContact CD2-CD1 3.76Å; L103-L120 HydrophobicContact CD2-CG 4.36Å; L103-L120 HydrophobicContact CG-CD1 4.02Å; L103-L120 HydrophobicContact CG-CD2 4.41Å; L103-L120 HydrophobicContact CG-CG 4.47Å |
| 104 | K | 95.5 | Very high | 95.6 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | 175.1 | -170.6 | 60.3 | -175.4 | 178.9 | 0 | 112.5 | T100 E107 M108 | T100-K104 WeakPolarHBondContact O-CB 3.49Å; T100-K104 PolarHBondContact O-N 3.42Å; K104-E107 WeakPolarHBondContact CD-OE2 3.46Å; K104-E107 WeakPolarHBondContact CE-OE2 3.09Å; K104-E107 IonicContact NZ-OE1 2.81Å; K104-E107 PolarHBondContact NZ-OE1 2.9Å; K104-E107 IonicContact NZ-OE2 2.76Å; K104-E107 PolarHBondContact NZ-OE2 3.48Å; K104-E107 PolarHBondContact O-N 3.23Å; K104-M108 PolarHBondContact O-N 3.27Å |
| 105 | L | 96.2 | Very high | 95.5 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 172 | -171.4 | 66.3 | 0 | 0 | 0 | 111.2 | P101 V102 L103 M108 F109 | P101-L105 WeakPolarHBondContact O-CB 3.22Å; P101-L105 PolarHBondContact O-N 2.96Å; P101-L105 VanDerWaalsContact O-N 3.12Å; V102-L105 WeakPolarHBondContact O-CB 3.36Å; V102-L105 PolarHBondContact O-N 3.4Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 2.71Å; L105-M108 WeakPolarHBondContact O-CB 3.37Å; L105-M108 PolarHBondContact O-N 3.05Å; L105-F109 HydrophobicContact CD1-CD2 4.16Å; L105-F109 HydrophobicContact CD1-CE2 3.57Å; L105-F109 HydrophobicContact CG-CD2 4.09Å; L105-F109 HydrophobicContact CG-CE2 3.86Å; L105-F109 WeakPolarHBondContact O-CD2 3.43Å; L105-F109 PolarHBondContact O-N 3.01Å |
| 106 | C | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | V102 L103 M108 F109 A110 L111 E116 | V102-C106 PolarHBondContact O-N 3.46Å; V102-C106 PolarHBondContact O-SG 3.36Å; L103-C106 WeakPolarHBondContact O-CB 3.3Å; L103-C106 PolarHBondContact O-N 3.4Å; L103-C106 VanDerWaalsContact O-N 3.09Å; C106-M108 VanDerWaalsContact C-N 3.34Å; C106-F109 CarbonylContact O-C 3.48Å; C106-F109 PolarHBondContact O-N 3.26Å; C106-A110 PolarHBondContact O-N 3.25Å; C106-A110 VanDerWaalsContact O-N 3.15Å; C106-L111 HydrophobicContact CB-CB 4.26Å; C106-L111 HydrophobicContact CB-CD1 4.01Å; C106-L111 HydrophobicContact CB-CG 4.39Å; C106-L111 PolarHBondContact O-N 3.44Å; C106-E116 HydrophobicContact CB-CB 4.48Å; C106-E116 HydrophobicContact CB-CG 3.82Å |
| 107 | E | 94 | Very high | 95.4 | Very high | 112 Ų | 112 | 62.6 Ų | 62.6 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 174.8 | -169.4 | -164.5 | 146.8 | 0 | 0 | 111.1 | L103 K104 F109 A110 | L103-E107 PolarHBondContact O-N 3.36Å; K104-E107 WeakPolarHBondContact CD-OE2 3.46Å; K104-E107 WeakPolarHBondContact CE-OE2 3.09Å; K104-E107 IonicContact NZ-OE1 2.81Å; K104-E107 PolarHBondContact NZ-OE1 2.9Å; K104-E107 IonicContact NZ-OE2 2.76Å; K104-E107 PolarHBondContact NZ-OE2 3.48Å; K104-E107 PolarHBondContact O-N 3.23Å; E107-F109 PolarHBondContact O-N 3.45Å; E107-A110 PolarHBondContact O-N 3.43Å |
| 108 | M | 95.7 | Very high | 95.5 | Very high | 140 Ų | 140 | 63.5 Ų | 63.5 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.1 | -34 | 176.4 | -175.4 | -175.7 | -63.4 | 0 | 0 | 112.7 | K104 L105 C106 A110 | K104-M108 PolarHBondContact O-N 3.27Å; L105-M108 WeakPolarHBondContact O-CB 3.37Å; L105-M108 PolarHBondContact O-N 3.05Å; C106-M108 VanDerWaalsContact C-N 3.34Å; M108-A110 VanDerWaalsContact C-N 3.34Å |
| 109 | F | 96.3 | Very high | 95.6 | Very high | 137 Ų | 137 | 62.8 Ų | 62.8 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.9 | 175.8 | -69.4 | -66.3 | 0 | 0 | 0 | 113.7 | L105 C106 E107 L111 | L105-F109 HydrophobicContact CD1-CD2 4.16Å; L105-F109 HydrophobicContact CD1-CE2 3.57Å; L105-F109 HydrophobicContact CG-CD2 4.09Å; L105-F109 HydrophobicContact CG-CE2 3.86Å; L105-F109 WeakPolarHBondContact O-CD2 3.43Å; L105-F109 PolarHBondContact O-N 3.01Å; C106-F109 CarbonylContact O-C 3.48Å; C106-F109 PolarHBondContact O-N 3.26Å; E107-F109 PolarHBondContact O-N 3.45Å; F109-L111 HydrophobicContact CB-CD2 4.14Å; F109-L111 HydrophobicContact CB-CG 4.02Å; F109-L111 PolarHBondContact O-N 2.92Å; F109-L111 VanDerWaalsContact O-N 3.16Å |
| 110 | A | 94.3 | Very high | 95.8 | Very high | 90 Ų | 90 | 62 Ų | 62 | 74% | 0.744 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 41.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C106 E107 M108 | C106-A110 PolarHBondContact O-N 3.25Å; C106-A110 VanDerWaalsContact O-N 3.15Å; E107-A110 PolarHBondContact O-N 3.43Å; M108-A110 VanDerWaalsContact C-N 3.34Å |
| 111 | L | 94.7 | Very high | 96 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | trans | -69.9 | 141.2 | 179.5 | -61.7 | -172.5 | 0 | 0 | 0 | 110.5 | C106 F109 K115 E116 V119 | C106-L111 HydrophobicContact CB-CB 4.26Å; C106-L111 HydrophobicContact CB-CD1 4.01Å; C106-L111 HydrophobicContact CB-CG 4.39Å; C106-L111 PolarHBondContact O-N 3.44Å; F109-L111 HydrophobicContact CB-CD2 4.14Å; F109-L111 HydrophobicContact CB-CG 4.02Å; F109-L111 PolarHBondContact O-N 2.92Å; F109-L111 VanDerWaalsContact O-N 3.16Å; L111-K115 HydrophobicContact CB-CB 4.18Å; L111-K115 HydrophobicContact CD2-CD 4.29Å; L111-E116 HydrophobicContact CB-CG 4.31Å; L111-V119 HydrophobicContact CD1-CG2 4.03Å | ||
| 112 | S | 93.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | trans | -64.4 | 148.2 | 170.7 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | R114 K115 E116 | S112-R114 VanDerWaalsContact C-N 3.28Å; S112-R114 PolarHBondContact O-N 3.32Å; S112-R114 VanDerWaalsContact O-N 3.1Å; S112-K115 WeakPolarHBondContact O-CA 3.49Å; S112-K115 WeakPolarHBondContact O-CB 3.21Å; S112-K115 PolarHBondContact O-N 3.26Å; S112-K115 WeakPolarHBondContact OG-CD 3.34Å; S112-K115 VanDerWaalsContact OG-CG 3.31Å; S112-K115 WeakPolarHBondContact OG-CG 3.3Å; S112-E116 PolarHBondContact O-N 3.24Å; S112-E116 VanDerWaalsContact O-N 3.1Å | ||
| 113 | K | 94.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -44.6 | -46.1 | 177.4 | -60.4 | -162.9 | -66.6 | 172.7 | 0 | 114.5 | H71 K115 E116 F117 S444 F445 L447 N449 | H71-K113 PolarHBondContact NE2-NZ 3.28Å; H71-K113 VanDerWaalsContact NE2-NZ 3.19Å; K113-K115 VanDerWaalsContact C-N 3.29Å; K113-K115 PolarHBondContact O-N 3.35Å; K113-E116 WeakPolarHBondContact O-CB 3.48Å; K113-E116 PolarHBondContact O-N 3.04Å; K113-E116 VanDerWaalsContact O-N 3.11Å; K113-F117 PolarHBondContact O-N 2.85Å; K113-S444 PolarHBondContact NZ-O 3.12Å; K113-F445 CarbonylContact C-O 3.59Å; K113-F445 HydrophobicContact CB-CB 4.48Å; K113-F445 HydrophobicContact CB-CD1 4.01Å; K113-F445 VanDerWaalsContact CB-O 3.31Å; K113-F445 WeakPolarHBondContact CB-O 3.36Å; K113-F445 VanDerWaalsContact O-CD1 3.28Å; K113-F445 WeakPolarHBondContact O-CD1 3.35Å; K113-L447 WeakPolarHBondContact CE-O 3.34Å; K113-L447 PolarHBondContact NZ-O 2.96Å; K113-N449 VanDerWaalsContact CE-OD1 3.24Å; K113-N449 WeakPolarHBondContact CE-OD1 3.42Å; K113-N449 PolarHBondContact NZ-OD1 3.46Å; K113-N449 VanDerWaalsContact NZ-OD1 3.09Å |
| 114 | R | 95 | Very high | 96.3 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 24% | 0.242 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 176.5 | -176.8 | 175.1 | 76.5 | 179.9 | 7 | 113 | S112 F117 Y118 G418 E422 F445 F446 | S112-R114 VanDerWaalsContact C-N 3.28Å; S112-R114 PolarHBondContact O-N 3.32Å; S112-R114 VanDerWaalsContact O-N 3.1Å; R114-F117 WeakPolarHBondContact O-CB 3.4Å; R114-Y118 HydrophobicContact CG-CD2 4.23Å; R114-Y118 HydrophobicContact CG-CE2 3.85Å; R114-Y118 WeakPolarHBondContact O-CD2 3.3Å; R114-Y118 PolarHBondContact O-N 3.45Å; R114-G418 PolarHBondContact NH1-O 3.39Å; R114-E422 IonicContact CZ-OE1 2.86Å; R114-E422 IonicContact NH1-OE1 2.69Å; R114-E422 PolarHBondContact NH1-OE1 3.33Å; R114-E422 IonicContact NH2-OE1 3.29Å; R114-E422 PolarHBondContact NH2-OE1 2.86Å; R114-F445 PolarHBondContact N-O 3.2Å; R114-F446 HydrophobicContact CG-CD1 4.15Å; R114-F446 HydrophobicContact CG-CE1 3.79Å; R114-F446 HydrophobicContact CG-CZ 4.13Å |
| 115 | K | 96 | Very high | 96.5 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 174.7 | -70.9 | 176.6 | -176.5 | 177.1 | 0 | 111 | L111 S112 K113 F117 Y118 V119 | L111-K115 HydrophobicContact CB-CB 4.18Å; L111-K115 HydrophobicContact CD2-CD 4.29Å; S112-K115 WeakPolarHBondContact O-CA 3.49Å; S112-K115 WeakPolarHBondContact O-CB 3.21Å; S112-K115 PolarHBondContact O-N 3.26Å; S112-K115 WeakPolarHBondContact OG-CD 3.34Å; S112-K115 VanDerWaalsContact OG-CG 3.31Å; S112-K115 WeakPolarHBondContact OG-CG 3.3Å; K113-K115 VanDerWaalsContact C-N 3.29Å; K113-K115 PolarHBondContact O-N 3.35Å; K115-F117 VanDerWaalsContact C-N 3.28Å; K115-F117 PolarHBondContact O-N 3Å; K115-Y118 PolarHBondContact O-N 3.35Å; K115-Y118 VanDerWaalsContact O-N 3.14Å; K115-V119 WeakPolarHBondContact O-CG2 3.34Å; K115-V119 PolarHBondContact O-N 3.44Å |
| 116 | E | 96.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -45 | 175.6 | -56.2 | -179.9 | 166.9 | 0 | 0 | 111.7 | H75 L103 C106 L111 S112 K113 Y118 V119 L120 F445 | H75-E116 IonicContact CD2-OE2 2.78Å; H75-E116 IonicContact CE1-OE1 3.77Å; H75-E116 IonicContact CE1-OE2 3.92Å; H75-E116 PolarHBondContact CE1-OE2 3.04Å; H75-E116 VanDerWaalsContact CE1-OE2 3.29Å; H75-E116 IonicContact NE2-OE1 3.93Å; H75-E116 IonicContact NE2-OE2 3.01Å; H75-E116 PolarHBondContact NE2-OE2 3.23Å; L103-E116 HydrophobicContact CD2-CB 4.11Å; C106-E116 HydrophobicContact CB-CB 4.48Å; C106-E116 HydrophobicContact CB-CG 3.82Å; L111-E116 HydrophobicContact CB-CG 4.31Å; S112-E116 PolarHBondContact O-N 3.24Å; S112-E116 VanDerWaalsContact O-N 3.1Å; K113-E116 WeakPolarHBondContact O-CB 3.48Å; K113-E116 PolarHBondContact O-N 3.04Å; K113-E116 VanDerWaalsContact O-N 3.11Å; E116-Y118 PolarHBondContact O-N 2.84Å; E116-V119 PolarHBondContact O-N 3.29Å; E116-L120 PolarHBondContact O-N 2.91Å; E116-F445 HydrophobicContact CB-CD1 4.37Å; E116-F445 HydrophobicContact CB-CE1 4.16Å; E116-F445 WeakPolarHBondContact OE2-CE1 3.26Å |
| 117 | F | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.7 | -49.6 | 174.6 | 173.2 | -87 | 0 | 0 | 0 | 112.1 | I57 W67 K113 R114 K115 L120 R121 F414 F445 F446 | I57-F117 HydrophobicContact CD1-CE2 4.21Å; I57-F117 HydrophobicContact CD1-CZ 3.86Å; W67-F117 AromaticContact CD2-CD2 3.85Å; W67-F117 HydrophobicContact CD2-CD2 3.85Å; W67-F117 AromaticContact CD2-CE2 3.71Å; W67-F117 HydrophobicContact CD2-CE2 3.71Å; W67-F117 AromaticContact CE2-CD2 3.96Å; W67-F117 AromaticContact CE2-CE2 3.49Å; W67-F117 VanDerWaalsContact CE2-CE2 3.49Å; W67-F117 AromaticContact CE3-CD2 3.67Å; W67-F117 HydrophobicContact CE3-CD2 3.67Å; W67-F117 HydrophobicContact CE3-CE2 4.04Å; W67-F117 HydrophobicContact CG-CE2 4.25Å; W67-F117 AromaticContact CH2-CD2 3.76Å; W67-F117 HydrophobicContact CH2-CD2 3.76Å; W67-F117 HydrophobicContact CH2-CE2 4.01Å; W67-F117 HydrophobicContact CH2-CG 4.37Å; W67-F117 AromaticContact CZ2-CD2 3.95Å; W67-F117 HydrophobicContact CZ2-CD2 3.95Å; W67-F117 AromaticContact CZ2-CE2 3.69Å; W67-F117 HydrophobicContact CZ2-CE2 3.69Å; W67-F117 HydrophobicContact CZ2-CZ 4.33Å; W67-F117 AromaticContact CZ3-CD2 3.61Å; W67-F117 HydrophobicContact CZ3-CD2 3.61Å; W67-F117 HydrophobicContact CZ3-CE2 4.16Å; W67-F117 HydrophobicContact CZ3-CG 4.34Å; W67-F117 AromaticContact NE1-CE2 3.88Å; K113-F117 PolarHBondContact O-N 2.85Å; R114-F117 WeakPolarHBondContact O-CB 3.4Å; K115-F117 VanDerWaalsContact C-N 3.28Å; K115-F117 PolarHBondContact O-N 3Å; F117-L120 PolarHBondContact O-N 3.12Å; F117-R121 HydrophobicContact CE1-CG 4.28Å; F117-R121 VanDerWaalsContact CZ-CD 3.46Å; F117-R121 HydrophobicContact CZ-CG 4.44Å; F117-R121 WeakPolarHBondContact O-CG 3.38Å; F117-R121 PolarHBondContact O-N 3.12Å; F117-F414 HydrophobicContact CD1-CE1 4.5Å; F117-F414 AromaticContact CE1-CE1 3.46Å; F117-F414 HydrophobicContact CE1-CE1 3.46Å; F117-F414 VanDerWaalsContact CE1-CE1 3.46Å; F117-F414 AromaticContact CE1-CZ 3.96Å; F117-F414 HydrophobicContact CE1-CZ 3.96Å; F117-F414 AromaticContact CZ-CE1 3.67Å; F117-F414 HydrophobicContact CZ-CE1 3.67Å; F117-F414 AromaticContact CZ-CZ 3.83Å; F117-F414 HydrophobicContact CZ-CZ 3.83Å; F117-F445 HydrophobicContact CB-CB 3.91Å; F117-F445 HydrophobicContact CB-CD1 4.31Å; F117-F445 HydrophobicContact CB-CG 4.07Å; F117-F445 HydrophobicContact CD2-CB 4.33Å; F117-F445 HydrophobicContact CD2-CD2 4.41Å; F117-F445 HydrophobicContact CD2-CG 4.5Å; F117-F445 HydrophobicContact CG-CB 4.45Å; F117-F446 AromaticContact CD1-CE2 3.71Å; F117-F446 HydrophobicContact CD1-CE2 3.71Å; F117-F446 AromaticContact CD1-CZ 3.91Å; F117-F446 HydrophobicContact CD1-CZ 3.91Å; F117-F446 HydrophobicContact CD2-CE2 4.15Å; F117-F446 AromaticContact CE1-CE2 3.78Å; F117-F446 HydrophobicContact CE1-CE2 3.78Å; F117-F446 AromaticContact CE1-CZ 3.95Å; F117-F446 HydrophobicContact CE1-CZ 3.95Å; F117-F446 HydrophobicContact CE2-CE2 4.2Å; F117-F446 AromaticContact CG-CE2 3.9Å; F117-F446 HydrophobicContact CG-CE2 3.9Å; F117-F446 HydrophobicContact CZ-CE2 4.02Å |
| 118 | Y | 97.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.4 | -33.3 | 178 | -73.5 | -66.1 | 0 | 0 | 0 | 113.3 | L53 R114 K115 E116 T122 F414 F446 | L53-Y118 HydrophobicContact CD2-CD1 4.04Å; L53-Y118 HydrophobicContact CD2-CG 4.41Å; R114-Y118 HydrophobicContact CG-CD2 4.23Å; R114-Y118 HydrophobicContact CG-CE2 3.85Å; R114-Y118 WeakPolarHBondContact O-CD2 3.3Å; R114-Y118 PolarHBondContact O-N 3.45Å; K115-Y118 PolarHBondContact O-N 3.35Å; K115-Y118 VanDerWaalsContact O-N 3.14Å; E116-Y118 PolarHBondContact O-N 2.84Å; Y118-T122 WeakPolarHBondContact O-CB 3.43Å; Y118-T122 PolarHBondContact O-N 3.07Å; Y118-T122 PolarHBondContact O-OG1 2.94Å; Y118-F414 WeakPolarHBondContact OH-CD1 3.36Å; Y118-F446 HydrophobicContact CE2-CZ 4.22Å |
| 119 | V | 98.1 | Very high | 97 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 30% | 0.303 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 110 | V102 L111 K115 E116 R121 T122 C123 | V102-V119 HydrophobicContact CG1-CG1 3.83Å; L111-V119 HydrophobicContact CD1-CG2 4.03Å; K115-V119 WeakPolarHBondContact O-CG2 3.34Å; K115-V119 PolarHBondContact O-N 3.44Å; E116-V119 PolarHBondContact O-N 3.29Å; V119-R121 PolarHBondContact O-N 2.93Å; V119-T122 WeakPolarHBondContact O-CB 3.33Å; V119-T122 PolarHBondContact O-N 3.23Å; V119-C123 PolarHBondContact O-N 3.49Å; V119-C123 PolarHBondContact O-SG 3.32Å; V119-C123 VanDerWaalsContact O-SG 3.36Å |
| 120 | L | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 177.3 | -81.1 | 170.3 | 0 | 0 | 0 | 112.3 | W67 L70 F99 V102 L103 E116 F117 T122 C123 F124 | W67-L120 HydrophobicContact CH2-CB 3.77Å; W67-L120 HydrophobicContact CH2-CD1 4.25Å; W67-L120 HydrophobicContact CZ3-CB 4.06Å; W67-L120 HydrophobicContact CZ3-CD1 3.68Å; L70-L120 HydrophobicContact CD2-CD1 3.68Å; F99-L120 HydrophobicContact CB-CD2 3.92Å; V102-L120 HydrophobicContact CB-CD2 4Å; V102-L120 HydrophobicContact CG1-CD2 3.8Å; V102-L120 HydrophobicContact CG1-CG 4.3Å; L103-L120 HydrophobicContact CD1-CD1 4.16Å; L103-L120 HydrophobicContact CD2-CD1 3.76Å; L103-L120 HydrophobicContact CD2-CG 4.36Å; L103-L120 HydrophobicContact CG-CD1 4.02Å; L103-L120 HydrophobicContact CG-CD2 4.41Å; L103-L120 HydrophobicContact CG-CG 4.47Å; E116-L120 PolarHBondContact O-N 2.91Å; F117-L120 PolarHBondContact O-N 3.12Å; L120-T122 VanDerWaalsContact C-N 3.26Å; L120-T122 PolarHBondContact O-N 3.08Å; L120-C123 WeakPolarHBondContact O-CB 3.41Å; L120-C123 PolarHBondContact O-N 3.4Å; L120-C123 VanDerWaalsContact O-N 3.12Å; L120-F124 HydrophobicContact CB-CE2 4.19Å; L120-F124 WeakPolarHBondContact O-CD2 3.25Å; L120-F124 WeakPolarHBondContact O-CG 3.41Å; L120-F124 PolarHBondContact O-N 3.17Å |
| 121 | R | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -42 | 174.7 | -71.5 | 179.1 | 70.6 | 81.8 | -6.1 | 112.2 | A52 C55 E62 W67 F117 V119 F124 A125 P166 | A52-R121 HydrophobicContact CB-CB 4.03Å; A52-R121 PolarHBondContact O-NE 3.07Å; C55-R121 PolarHBondContact O-NH2 2.78Å; E62-R121 IonicContact OE1-NH1 2.71Å; E62-R121 PolarHBondContact OE1-NH1 3.41Å; E62-R121 VanDerWaalsContact OE1-NH1 3.1Å; W67-R121 HydrophobicContact CH2-CG 3.94Å; W67-R121 HydrophobicContact CZ2-CG 3.73Å; F117-R121 HydrophobicContact CE1-CG 4.28Å; F117-R121 VanDerWaalsContact CZ-CD 3.46Å; F117-R121 HydrophobicContact CZ-CG 4.44Å; F117-R121 WeakPolarHBondContact O-CG 3.38Å; F117-R121 PolarHBondContact O-N 3.12Å; V119-R121 PolarHBondContact O-N 2.93Å; R121-F124 PolarHBondContact O-N 3.47Å; R121-A125 WeakPolarHBondContact O-CB 3.44Å; R121-A125 PolarHBondContact O-N 3.25Å; R121-P166 HydrophobicContact CB-CB 4.24Å |
| 122 | T | 98.5 | Very high | 97.5 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 18% | 0.184 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | I49 Y118 V119 L120 F124 A125 L126 | I49-T122 HydrophobicContact CG1-CG2 4.28Å; Y118-T122 WeakPolarHBondContact O-CB 3.43Å; Y118-T122 PolarHBondContact O-N 3.07Å; Y118-T122 PolarHBondContact O-OG1 2.94Å; V119-T122 WeakPolarHBondContact O-CB 3.33Å; V119-T122 PolarHBondContact O-N 3.23Å; L120-T122 VanDerWaalsContact C-N 3.26Å; L120-T122 PolarHBondContact O-N 3.08Å; T122-F124 PolarHBondContact O-N 3.44Å; T122-A125 PolarHBondContact O-N 2.93Å; T122-L126 HydrophobicContact CG2-CD1 3.95Å; T122-L126 HydrophobicContact CG2-CG 4.19Å; T122-L126 WeakPolarHBondContact O-CB 3.48Å; T122-L126 WeakPolarHBondContact O-CG 3.28Å; T122-L126 PolarHBondContact O-N 3.22Å |
| 123 | C | 98.1 | Very high | 97.7 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 26% | 0.264 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 174.5 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | V119 L120 L126 C127 | V119-C123 PolarHBondContact O-N 3.49Å; V119-C123 PolarHBondContact O-SG 3.32Å; V119-C123 VanDerWaalsContact O-SG 3.36Å; L120-C123 WeakPolarHBondContact O-CB 3.41Å; L120-C123 PolarHBondContact O-N 3.4Å; L120-C123 VanDerWaalsContact O-N 3.12Å; C123-L126 PolarHBondContact O-N 3.31Å; C123-C127 WeakPolarHBondContact O-CB 3.49Å; C123-C127 PolarHBondContact O-N 3.28Å; C123-C127 PolarHBondContact O-SG 3.29Å; C123-C127 VanDerWaalsContact O-SG 3.34Å |
| 124 | F | 98 | Very high | 97.9 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 175.5 | -64.3 | -48.9 | 0 | 0 | 0 | 112.1 | F99 L120 R121 T122 L126 C127 S128 S165 L168 | F99-F124 AromaticContact CD1-CE1 3.66Å; F99-F124 HydrophobicContact CD1-CE1 3.66Å; F99-F124 AromaticContact CD1-CZ 3.78Å; F99-F124 HydrophobicContact CD1-CZ 3.78Å; F99-F124 HydrophobicContact CD2-CZ 4.14Å; F99-F124 AromaticContact CE1-CE1 3.31Å; F99-F124 HydrophobicContact CE1-CE1 3.31Å; F99-F124 AromaticContact CE1-CZ 3.73Å; F99-F124 HydrophobicContact CE1-CZ 3.73Å; F99-F124 HydrophobicContact CE2-CE1 4.36Å; F99-F124 HydrophobicContact CE2-CZ 4.05Å; F99-F124 HydrophobicContact CG-CE1 4.36Å; F99-F124 HydrophobicContact CG-CZ 4.01Å; F99-F124 AromaticContact CZ-CE1 3.68Å; F99-F124 HydrophobicContact CZ-CE1 3.68Å; F99-F124 AromaticContact CZ-CZ 3.84Å; F99-F124 HydrophobicContact CZ-CZ 3.84Å; L120-F124 HydrophobicContact CB-CE2 4.19Å; L120-F124 WeakPolarHBondContact O-CD2 3.25Å; L120-F124 WeakPolarHBondContact O-CG 3.41Å; L120-F124 PolarHBondContact O-N 3.17Å; R121-F124 PolarHBondContact O-N 3.47Å; T122-F124 PolarHBondContact O-N 3.44Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.47Å; F124-C127 PolarHBondContact O-N 2.68Å; F124-S128 WeakPolarHBondContact O-CB 3.48Å; F124-S128 PolarHBondContact O-N 3.45Å; F124-S165 CarbonylContact C-O 3.47Å; F124-S165 WeakPolarHBondContact CB-O 3.44Å; F124-L168 HydrophobicContact CE1-CD1 4.33Å; F124-L168 HydrophobicContact CE2-CB 4.06Å; F124-L168 HydrophobicContact CE2-CD1 3.65Å; F124-L168 HydrophobicContact CE2-CG 4.36Å; F124-L168 HydrophobicContact CZ-CD1 3.43Å; F124-L168 VanDerWaalsContact CZ-CD1 3.43Å |
| 125 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | R48 A52 R121 T122 S128 A129 S165 P166 | R48-A125 HydrophobicContact CB-CB 3.98Å; R48-A125 WeakPolarHBondContact O-CB 3.3Å; A52-A125 HydrophobicContact CB-CB 4.01Å; R121-A125 WeakPolarHBondContact O-CB 3.44Å; R121-A125 PolarHBondContact O-N 3.25Å; T122-A125 PolarHBondContact O-N 2.93Å; A125-S128 PolarHBondContact O-N 3.21Å; A125-A129 WeakPolarHBondContact O-CB 3.19Å; A125-A129 PolarHBondContact O-N 3.03Å; A125-S165 WeakPolarHBondContact CA-O 3.33Å; A125-S165 PolarHBondContact N-O 3.39Å; A125-P166 HydrophobicContact CB-CB 4.33Å |
| 126 | L | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 23.1 Ų | 23.1 | 31% | 0.309 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.2 | -43 | 176 | -69.4 | 178 | 0 | 0 | 0 | 112.4 | T45 I49 T122 C123 F124 S128 A129 L130 | T45-L126 HydrophobicContact CG2-CD2 3.61Å; I49-L126 HydrophobicContact CD1-CD2 4.35Å; I49-L126 HydrophobicContact CG1-CD2 4.12Å; T122-L126 HydrophobicContact CG2-CD1 3.95Å; T122-L126 HydrophobicContact CG2-CG 4.19Å; T122-L126 WeakPolarHBondContact O-CB 3.48Å; T122-L126 WeakPolarHBondContact O-CG 3.28Å; T122-L126 PolarHBondContact O-N 3.22Å; C123-L126 PolarHBondContact O-N 3.31Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.47Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 2.92Å; L126-A129 WeakPolarHBondContact O-CB 3.49Å; L126-A129 PolarHBondContact O-N 3.28Å; L126-A129 VanDerWaalsContact O-N 3.16Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 2.8Å |
| 127 | C | 98.2 | Very high | 98.2 | Very high | 63 Ų | 63 | 24.2 Ų | 24.2 | 43% | 0.426 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.8 | -42 | 173.7 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | C123 F124 L130 A131 T176 | C123-C127 WeakPolarHBondContact O-CB 3.49Å; C123-C127 PolarHBondContact O-N 3.28Å; C123-C127 PolarHBondContact O-SG 3.29Å; C123-C127 VanDerWaalsContact O-SG 3.34Å; F124-C127 PolarHBondContact O-N 2.68Å; C127-L130 PolarHBondContact O-N 3.07Å; C127-A131 PolarHBondContact O-N 3.31Å; C127-T176 HydrophobicContact CB-CG2 4.41Å |
| 128 | S | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 172.7 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | F124 A125 L126 L130 A131 D132 S165 | F124-S128 WeakPolarHBondContact O-CB 3.48Å; F124-S128 PolarHBondContact O-N 3.45Å; A125-S128 PolarHBondContact O-N 3.21Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 2.92Å; S128-L130 PolarHBondContact O-N 2.95Å; S128-A131 WeakPolarHBondContact O-CB 3.22Å; S128-A131 PolarHBondContact O-N 3.03Å; S128-D132 PolarHBondContact O-N 2.86Å; S128-S165 WeakPolarHBondContact OG-CB 3.4Å |
| 129 | A | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L44 R48 A125 L126 A131 D132 I133 | L44-A129 HydrophobicContact CD2-CB 4.39Å; L44-A129 HydrophobicContact CG-CB 4.3Å; R48-A129 HydrophobicContact CB-CB 4.2Å; R48-A129 HydrophobicContact CG-CB 3.8Å; A125-A129 WeakPolarHBondContact O-CB 3.19Å; A125-A129 PolarHBondContact O-N 3.03Å; L126-A129 WeakPolarHBondContact O-CB 3.49Å; L126-A129 PolarHBondContact O-N 3.28Å; L126-A129 VanDerWaalsContact O-N 3.16Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 3.32Å; A129-D132 WeakPolarHBondContact O-CB 3.34Å; A129-D132 PolarHBondContact O-N 2.95Å; A129-I133 WeakPolarHBondContact O-CD1 3.4Å; A129-I133 VanDerWaalsContact O-CG1 3.23Å; A129-I133 WeakPolarHBondContact O-CG1 3.29Å; A129-I133 PolarHBondContact O-N 3.4Å |
| 130 | L | 98.4 | Very high | 98 | Very high | 98 Ų | 98 | 22.7 Ų | 22.7 | 51% | 0.513 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 178.9 | -70.3 | 172.9 | 0 | 0 | 0 | 111.7 | L126 C127 S128 I133 C134 Y180 | L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 2.8Å; C127-L130 PolarHBondContact O-N 3.07Å; S128-L130 PolarHBondContact O-N 2.95Å; L130-I133 PolarHBondContact O-N 2.94Å; L130-C134 VanDerWaalsContact O-CB 3.29Å; L130-C134 WeakPolarHBondContact O-CB 3.42Å; L130-C134 PolarHBondContact O-N 3.01Å; L130-Y180 VanDerWaalsContact CB-OH 3.23Å; L130-Y180 WeakPolarHBondContact CB-OH 3.2Å |
| 131 | A | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C127 S128 A129 I133 C134 L135 T176 T179 Y180 | C127-A131 PolarHBondContact O-N 3.31Å; S128-A131 WeakPolarHBondContact O-CB 3.22Å; S128-A131 PolarHBondContact O-N 3.03Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 3.32Å; A131-I133 PolarHBondContact O-N 2.89Å; A131-C134 WeakPolarHBondContact O-CB 3.13Å; A131-C134 PolarHBondContact O-N 3.46Å; A131-L135 WeakPolarHBondContact O-CB 3.34Å; A131-L135 PolarHBondContact O-N 3.45Å; A131-T176 HydrophobicContact CB-CG2 3.87Å; A131-T179 HydrophobicContact CB-CG2 3.76Å; A131-T179 WeakPolarHBondContact O-CG2 3.46Å; A131-Y180 HydrophobicContact CB-CD1 4.23Å; A131-Y180 HydrophobicContact CB-CD2 3.65Å; A131-Y180 HydrophobicContact CB-CE1 4.06Å; A131-Y180 HydrophobicContact CB-CE2 3.46Å; A131-Y180 VanDerWaalsContact CB-CE2 3.46Å; A131-Y180 HydrophobicContact CB-CG 4.03Å; A131-Y180 PolarHBondContact N-OH 2.67Å |
| 132 | D | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.5 | -84 | -21.4 | 0 | 0 | 0 | 112.5 | L44 R48 S128 A129 L135 A136 Q155 M161 | L44-D132 HydrophobicContact CD2-CB 3.7Å; R48-D132 IonicContact CZ-OD2 2.78Å; R48-D132 IonicContact NE-OD2 3.03Å; R48-D132 IonicContact NH2-OD2 2.87Å; R48-D132 PolarHBondContact NH2-OD2 3.22Å; S128-D132 PolarHBondContact O-N 2.86Å; A129-D132 WeakPolarHBondContact O-CB 3.34Å; A129-D132 PolarHBondContact O-N 2.95Å; D132-L135 PolarHBondContact O-N 2.93Å; D132-A136 WeakPolarHBondContact O-CB 3.24Å; D132-A136 PolarHBondContact O-N 3.21Å; D132-Q155 PolarHBondContact OD1-NE2 3.04Å; D132-M161 WeakPolarHBondContact OD2-CE 3.3Å |
| 133 | I | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.1 | -68.7 | 162 | 0 | 0 | 0 | 110.8 | Y40 A41 L44 A129 L130 A131 A136 N137 | Y40-I133 HydrophobicContact CD1-CG1 4.43Å; Y40-I133 HydrophobicContact CE1-CB 4.31Å; Y40-I133 HydrophobicContact CE1-CG1 3.73Å; A41-I133 HydrophobicContact CB-CD1 3.81Å; A41-I133 HydrophobicContact CB-CG1 4.42Å; L44-I133 HydrophobicContact CD2-CD1 4.37Å; L44-I133 HydrophobicContact CD2-CG1 3.8Å; A129-I133 WeakPolarHBondContact O-CD1 3.4Å; A129-I133 VanDerWaalsContact O-CG1 3.23Å; A129-I133 WeakPolarHBondContact O-CG1 3.29Å; A129-I133 PolarHBondContact O-N 3.4Å; L130-I133 PolarHBondContact O-N 2.94Å; A131-I133 PolarHBondContact O-N 2.89Å; I133-A136 PolarHBondContact O-N 3.11Å; I133-N137 WeakPolarHBondContact O-CB 3.21Å; I133-N137 VanDerWaalsContact O-CG 3.28Å; I133-N137 PolarHBondContact O-N 2.71Å; I133-N137 PolarHBondContact O-ND2 3.22Å |
| 134 | C | 98 | Very high | 97.2 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -50 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | L130 A131 N137 F138 Y180 A183 | L130-C134 VanDerWaalsContact O-CB 3.29Å; L130-C134 WeakPolarHBondContact O-CB 3.42Å; L130-C134 PolarHBondContact O-N 3.01Å; A131-C134 WeakPolarHBondContact O-CB 3.13Å; A131-C134 PolarHBondContact O-N 3.46Å; C134-N137 PolarHBondContact O-N 3.28Å; C134-F138 WeakPolarHBondContact O-CB 3.32Å; C134-F138 WeakPolarHBondContact O-CG 3.4Å; C134-F138 PolarHBondContact O-N 3.28Å; C134-F138 WeakPolarHBondContact SG-CE2 3.49Å; C134-Y180 HydrophobicContact CB-CD1 4.28Å; C134-Y180 HydrophobicContact CB-CE1 4.08Å; C134-A183 HydrophobicContact CB-CB 4.27Å |
| 135 | L | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 179.2 | -175.4 | 62.5 | 0 | 0 | 0 | 111.5 | A131 D132 N137 F138 L139 M151 T179 A183 L186 V357 | A131-L135 WeakPolarHBondContact O-CB 3.34Å; A131-L135 PolarHBondContact O-N 3.45Å; D132-L135 PolarHBondContact O-N 2.93Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 3.39Å; L135-F138 PolarHBondContact O-N 3.19Å; L135-L139 WeakPolarHBondContact O-CB 3.25Å; L135-L139 PolarHBondContact O-N 3.08Å; L135-M151 HydrophobicContact CB-CE 4.09Å; L135-M151 HydrophobicContact CD2-CE 3.51Å; L135-M151 HydrophobicContact CG-CE 3.65Å; L135-T179 HydrophobicContact CB-CG2 3.86Å; L135-T179 HydrophobicContact CD2-CG2 3.71Å; L135-T179 HydrophobicContact CG-CG2 4.39Å; L135-A183 HydrophobicContact CB-CB 4.02Å; L135-A183 HydrophobicContact CD1-CB 4Å; L135-L186 HydrophobicContact CD1-CD1 3.77Å; L135-V357 HydrophobicContact CD2-CG2 4.04Å |
| 136 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y40 D132 I133 Q140 M151 R152 | Y40-A136 HydrophobicContact CE1-CB 4.2Å; D132-A136 WeakPolarHBondContact O-CB 3.24Å; D132-A136 PolarHBondContact O-N 3.21Å; I133-A136 PolarHBondContact O-N 3.11Å; A136-Q140 PolarHBondContact O-N 3.31Å; A136-M151 HydrophobicContact CB-CE 4.46Å; A136-R152 HydrophobicContact CB-CG 3.78Å |
| 137 | N | 96.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | -180 | -73.3 | -19.5 | 0 | 0 | 0 | 112.6 | I133 C134 L135 Q140 R141 R152 | I133-N137 WeakPolarHBondContact O-CB 3.21Å; I133-N137 VanDerWaalsContact O-CG 3.28Å; I133-N137 PolarHBondContact O-N 2.71Å; I133-N137 PolarHBondContact O-ND2 3.22Å; C134-N137 PolarHBondContact O-N 3.28Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 3.39Å; N137-Q140 WeakPolarHBondContact O-CB 3.47Å; N137-Q140 PolarHBondContact O-N 3.04Å; N137-R141 WeakPolarHBondContact O-CG 3.39Å; N137-R141 PolarHBondContact O-N 3.42Å; N137-R152 PolarHBondContact OD1-NH2 3.4Å |
| 138 | F | 97.8 | Very high | 96.4 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.2 | -29.1 | 176.8 | -68.1 | -14.3 | 0 | 0 | 0 | 112.5 | C134 L135 R141 A142 A183 F184 L186 I187 | C134-F138 WeakPolarHBondContact O-CB 3.32Å; C134-F138 WeakPolarHBondContact O-CG 3.4Å; C134-F138 PolarHBondContact O-N 3.28Å; C134-F138 WeakPolarHBondContact SG-CE2 3.49Å; L135-F138 PolarHBondContact O-N 3.19Å; F138-R141 PolarHBondContact O-N 3.5Å; F138-A142 WeakPolarHBondContact O-CB 3.26Å; F138-A142 PolarHBondContact O-N 3.43Å; F138-A183 HydrophobicContact CD2-CB 3.95Å; F138-A183 VanDerWaalsContact CD2-O 3.22Å; F138-A183 WeakPolarHBondContact CD2-O 3.33Å; F138-F184 HydrophobicContact CE2-CD1 4.15Å; F138-F184 HydrophobicContact CE2-CE1 4.31Å; F138-L186 HydrophobicContact CB-CB 4.32Å; F138-I187 HydrophobicContact CB-CG2 3.86Å; F138-I187 HydrophobicContact CD1-CG2 3.81Å; F138-I187 HydrophobicContact CD2-CD1 3.94Å; F138-I187 HydrophobicContact CD2-CG1 4.14Å; F138-I187 HydrophobicContact CD2-CG2 4.15Å; F138-I187 HydrophobicContact CE1-CD1 4.2Å; F138-I187 HydrophobicContact CE1-CG2 4.4Å; F138-I187 HydrophobicContact CE2-CD1 3.53Å; F138-I187 HydrophobicContact CE2-CG1 4.22Å; F138-I187 HydrophobicContact CG-CD1 4.43Å; F138-I187 HydrophobicContact CG-CG2 3.67Å; F138-I187 HydrophobicContact CZ-CD1 3.69Å |
| 139 | L | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 169.1 | -166.7 | 74.8 | 0 | 0 | 0 | 112 | L135 R141 A142 F143 L147 M151 L186 V357 | L135-L139 WeakPolarHBondContact O-CB 3.25Å; L135-L139 PolarHBondContact O-N 3.08Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 3.28Å; L139-A142 PolarHBondContact O-N 2.07Å; L139-F143 HydrophobicContact CD1-CD2 3.39Å; L139-F143 HydrophobicContact CD1-CE2 3.61Å; L139-F143 HydrophobicContact CD1-CG 4.27Å; L139-F143 HydrophobicContact CG-CD2 4.11Å; L139-F143 WeakPolarHBondContact O-CB 3.19Å; L139-F143 PolarHBondContact O-N 3.31Å; L139-L147 HydrophobicContact CD1-CD2 4.34Å; L139-L147 HydrophobicContact CD2-CD2 3.29Å; L139-L147 HydrophobicContact CG-CD2 3.77Å; L139-M151 HydrophobicContact CD2-CB 4.46Å; L139-M151 HydrophobicContact CD2-SD 3.32Å; L139-M151 WeakPolarHBondContact CD2-SD 3.3Å; L139-L186 HydrophobicContact CB-CD1 3.99Å; L139-L186 HydrophobicContact CD1-CD1 3.78Å; L139-L186 HydrophobicContact CD1-CD2 4.45Å; L139-V357 HydrophobicContact CD1-CG1 4.26Å; L139-V357 HydrophobicContact CD2-CG1 4.46Å; L139-V357 HydrophobicContact CD2-CG2 4.28Å |
| 140 | Q | 95.7 | Very high | 96.2 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 172.9 | 169.4 | 168 | -39.5 | 0 | 0 | 112 | A136 N137 R145 A148 R152 | A136-Q140 PolarHBondContact O-N 3.31Å; N137-Q140 WeakPolarHBondContact O-CB 3.47Å; N137-Q140 PolarHBondContact O-N 3.04Å; Q140-R145 HydrophobicContact CG-CB 4.18Å; Q140-A148 HydrophobicContact CB-CB 3.6Å; Q140-R152 VanDerWaalsContact OE1-CZ 3.3Å |
| 141 | R | 94 | Very high | 96.2 | Very high | 188 Ų | 188 | 34.9 Ų | 34.9 | 71% | 0.709 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -71 | -41.7 | 179.8 | -68.7 | 179.8 | -174.7 | -177.7 | 0.6 | 112.3 | N137 F138 L139 | N137-R141 WeakPolarHBondContact O-CG 3.39Å; N137-R141 PolarHBondContact O-N 3.42Å; F138-R141 PolarHBondContact O-N 3.5Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 3.28Å |
| 142 | A | 94.6 | Very high | 96.1 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 26% | 0.256 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -78 | -31.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F138 L139 L186 P320 | F138-A142 WeakPolarHBondContact O-CB 3.26Å; F138-A142 PolarHBondContact O-N 3.43Å; L139-A142 PolarHBondContact O-N 2.07Å; A142-L186 HydrophobicContact CB-CB 4.05Å; A142-L186 HydrophobicContact CB-CD2 4.13Å; A142-P320 WeakPolarHBondContact O-CG 3.38Å |
| 143 | F | 94.4 | Very high | 96.1 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -89.3 | -176.2 | -68.4 | -96.3 | 0 | 0 | 0 | 112 | L139 L147 L186 L319 P320 A323 V326 M361 | L139-F143 HydrophobicContact CD1-CD2 3.39Å; L139-F143 HydrophobicContact CD1-CE2 3.61Å; L139-F143 HydrophobicContact CD1-CG 4.27Å; L139-F143 HydrophobicContact CG-CD2 4.11Å; L139-F143 WeakPolarHBondContact O-CB 3.19Å; L139-F143 PolarHBondContact O-N 3.31Å; F143-L147 HydrophobicContact CB-CD1 4.19Å; F143-L147 HydrophobicContact CD1-CD1 4.35Å; F143-L147 HydrophobicContact CG-CD1 4.43Å; F143-L186 HydrophobicContact CD2-CD2 4.36Å; F143-L186 HydrophobicContact CE2-CD2 3.57Å; F143-L186 HydrophobicContact CZ-CD2 4.49Å; F143-L319 HydrophobicContact CD1-CD2 3.95Å; F143-P320 HydrophobicContact CD1-CG 4.04Å; F143-P320 HydrophobicContact CE1-CG 4.25Å; F143-A323 HydrophobicContact CE1-CB 3.48Å; F143-A323 VanDerWaalsContact CE1-CB 3.48Å; F143-A323 HydrophobicContact CZ-CB 4.03Å; F143-V326 HydrophobicContact CZ-CG2 4.34Å; F143-M361 HydrophobicContact CD1-CE 4.37Å; F143-M361 HydrophobicContact CE1-CE 3.75Å; F143-M361 HydrophobicContact CE2-CE 4.18Å; F143-M361 HydrophobicContact CZ-CE 3.63Å |
| 144 | C | 92.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | trans | -163.8 | 159.2 | 174.6 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | R146 L147 A148 H364 | C144-R146 VanDerWaalsContact C-N 3.33Å; C144-R146 PolarHBondContact O-N 2.98Å; C144-L147 PolarHBondContact O-N 2.79Å; C144-A148 PolarHBondContact O-N 2.87Å; C144-H364 VanDerWaalsContact SG-CE1 3.56Å | ||
| 145 | R | 93.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 39% | 0.392 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.9 | -39.8 | 178.2 | -176.5 | 177.2 | -175 | 143.1 | 11.6 | 113.4 | D34 Q140 A148 N149 | D34-R145 IonicContact OD1-CZ 3.98Å; D34-R145 IonicContact OD1-NH2 4Å; D34-R145 PolarHBondContact OD1-NH2 2.9Å; D34-R145 IonicContact OD2-CZ 2.91Å; D34-R145 IonicContact OD2-NH1 2.95Å; D34-R145 IonicContact OD2-NH2 3.43Å; D34-R145 PolarHBondContact OD2-NH2 3.31Å; Q140-R145 HydrophobicContact CG-CB 4.18Å; R145-A148 PolarHBondContact O-N 3.49Å; R145-N149 WeakPolarHBondContact O-CB 3.14Å; R145-N149 VanDerWaalsContact O-CG 3.29Å; R145-N149 PolarHBondContact O-N 3.1Å; R145-N149 PolarHBondContact O-OD1 2.97Å |
| 146 | R | 92.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 39.8 Ų | 39.8 | 41% | 0.411 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.9 | -47.3 | -175.9 | -176.3 | 177.8 | -67.8 | 165 | 2.3 | 111.8 | C144 N149 Y150 | C144-R146 VanDerWaalsContact C-N 3.33Å; C144-R146 PolarHBondContact O-N 2.98Å; R146-N149 PolarHBondContact O-N 3.16Å; R146-Y150 WeakPolarHBondContact CD-OH 3.07Å; R146-Y150 HydrophobicContact CG-CE1 4Å; R146-Y150 HydrophobicContact CG-CE2 3.91Å; R146-Y150 VanDerWaalsContact CG-CZ 3.49Å; R146-Y150 WeakPolarHBondContact CG-OH 3.44Å; R146-Y150 WeakPolarHBondContact O-CD1 3.24Å; R146-Y150 PolarHBondContact O-N 3.34Å |
| 147 | L | 94.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 177 | -174.6 | 166.4 | 0 | 0 | 0 | 110.6 | L139 F143 C144 N149 Y150 M151 L319 A360 M361 H364 | L139-L147 HydrophobicContact CD1-CD2 4.34Å; L139-L147 HydrophobicContact CD2-CD2 3.29Å; L139-L147 HydrophobicContact CG-CD2 3.77Å; F143-L147 HydrophobicContact CB-CD1 4.19Å; F143-L147 HydrophobicContact CD1-CD1 4.35Å; F143-L147 HydrophobicContact CG-CD1 4.43Å; C144-L147 PolarHBondContact O-N 2.79Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 3.18Å; L147-Y150 WeakPolarHBondContact O-CB 3.41Å; L147-Y150 PolarHBondContact O-N 2.88Å; L147-Y150 VanDerWaalsContact O-N 3.14Å; L147-M151 PolarHBondContact O-N 3.47Å; L147-L319 HydrophobicContact CD1-CD2 3.92Å; L147-A360 HydrophobicContact CD2-CB 4.1Å; L147-A360 HydrophobicContact CG-CB 4.42Å; L147-M361 HydrophobicContact CD1-CB 4.49Å; L147-M361 HydrophobicContact CD1-CG 3.75Å; L147-M361 HydrophobicContact CG-CG 4.42Å; L147-H364 HydrophobicContact CB-CB 4.24Å; L147-H364 HydrophobicContact CD1-CB 4.42Å; L147-H364 HydrophobicContact CG-CB 4.32Å |
| 148 | A | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q140 C144 R145 Y150 M151 R152 | Q140-A148 HydrophobicContact CB-CB 3.6Å; C144-A148 PolarHBondContact O-N 2.87Å; R145-A148 PolarHBondContact O-N 3.49Å; A148-Y150 VanDerWaalsContact C-N 3.33Å; A148-Y150 PolarHBondContact O-N 3.1Å; A148-M151 PolarHBondContact O-N 3.12Å; A148-R152 WeakPolarHBondContact O-CB 3.06Å; A148-R152 VanDerWaalsContact O-CG 3.25Å; A148-R152 WeakPolarHBondContact O-CG 3.5Å; A148-R152 PolarHBondContact O-N 3.48Å |
| 149 | N | 95.8 | Very high | 96.1 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 175.9 | -77.2 | -4.3 | 0 | 0 | 0 | 113.1 | R145 R146 L147 R152 W153 | R145-N149 WeakPolarHBondContact O-CB 3.14Å; R145-N149 VanDerWaalsContact O-CG 3.29Å; R145-N149 PolarHBondContact O-N 3.1Å; R145-N149 PolarHBondContact O-OD1 2.97Å; R146-N149 PolarHBondContact O-N 3.16Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 3.18Å; N149-R152 PolarHBondContact OD1-NH1 3.31Å; N149-W153 PolarHBondContact O-N 3.28Å; N149-W153 VanDerWaalsContact O-N 3.11Å |
| 150 | Y | 97.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 39 Ų | 39 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.2 | -58.9 | -21 | 0 | 0 | 0 | 111.4 | R146 L147 A148 W153 M154 L363 H364 V388 L392 | R146-Y150 WeakPolarHBondContact CD-OH 3.07Å; R146-Y150 HydrophobicContact CG-CE1 4Å; R146-Y150 HydrophobicContact CG-CE2 3.91Å; R146-Y150 VanDerWaalsContact CG-CZ 3.49Å; R146-Y150 WeakPolarHBondContact CG-OH 3.44Å; R146-Y150 WeakPolarHBondContact O-CD1 3.24Å; R146-Y150 PolarHBondContact O-N 3.34Å; L147-Y150 WeakPolarHBondContact O-CB 3.41Å; L147-Y150 PolarHBondContact O-N 2.88Å; L147-Y150 VanDerWaalsContact O-N 3.14Å; A148-Y150 VanDerWaalsContact C-N 3.33Å; A148-Y150 PolarHBondContact O-N 3.1Å; Y150-W153 PolarHBondContact O-N 2.88Å; Y150-M154 WeakPolarHBondContact O-CE 3.23Å; Y150-M154 PolarHBondContact O-N 3.42Å; Y150-M154 VanDerWaalsContact O-N 3.12Å; Y150-L363 HydrophobicContact CD1-CD2 4.36Å; Y150-L363 HydrophobicContact CD2-CB 3.92Å; Y150-L363 HydrophobicContact CD2-CD2 3.93Å; Y150-L363 HydrophobicContact CD2-CG 3.91Å; Y150-L363 HydrophobicContact CE2-CB 4.28Å; Y150-L363 HydrophobicContact CE2-CD2 4.35Å; Y150-L363 HydrophobicContact CE2-CG 4.01Å; Y150-L363 HydrophobicContact CG-CD2 3.92Å; Y150-L363 HydrophobicContact CG-CG 4.41Å; Y150-H364 HydrophobicContact CD2-CB 4.4Å; Y150-H364 HydrophobicContact CE2-CB 4.23Å; Y150-V388 HydrophobicContact CD1-CG1 4.22Å; Y150-V388 HydrophobicContact CE1-CG1 3.54Å; Y150-V388 HydrophobicContact CE2-CG1 4.29Å; Y150-L392 HydrophobicContact CD1-CD1 3.85Å; Y150-L392 HydrophobicContact CE1-CD1 4.32Å |
| 151 | M | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 175.4 | -179.9 | -177.2 | 158.6 | 0 | 0 | 111.9 | L135 A136 L139 L147 A148 W153 M154 Q155 V357 A360 | L135-M151 HydrophobicContact CB-CE 4.09Å; L135-M151 HydrophobicContact CD2-CE 3.51Å; L135-M151 HydrophobicContact CG-CE 3.65Å; A136-M151 HydrophobicContact CB-CE 4.46Å; L139-M151 HydrophobicContact CD2-CB 4.46Å; L139-M151 HydrophobicContact CD2-SD 3.32Å; L139-M151 WeakPolarHBondContact CD2-SD 3.3Å; L147-M151 PolarHBondContact O-N 3.47Å; A148-M151 PolarHBondContact O-N 3.12Å; M151-W153 VanDerWaalsContact C-N 3.28Å; M151-W153 PolarHBondContact O-N 3.28Å; M151-M154 PolarHBondContact O-N 3.25Å; M151-M154 VanDerWaalsContact O-N 3.1Å; M151-Q155 HydrophobicContact CE-CG 4.37Å; M151-Q155 HydrophobicContact CG-CG 4.26Å; M151-Q155 WeakPolarHBondContact O-CG 3.37Å; M151-Q155 PolarHBondContact O-N 3.39Å; M151-V357 HydrophobicContact CE-CG2 4.04Å; M151-V357 HydrophobicContact SD-CG2 3.6Å; M151-V357 VanDerWaalsContact SD-CG2 3.6Å; M151-A360 HydrophobicContact CB-CB 3.82Å |
| 152 | R | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 5% | 0.045 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53 | -46.4 | 176.7 | -75.3 | 176.2 | -175.4 | 126 | -0.3 | 111.8 | Y40 A136 N137 Q140 A148 N149 Q155 I156 | Y40-R152 HydrophobicContact CD1-CG 3.91Å; Y40-R152 HydrophobicContact CD2-CB 3.52Å; Y40-R152 HydrophobicContact CD2-CG 3.75Å; Y40-R152 HydrophobicContact CE1-CG 3.79Å; Y40-R152 HydrophobicContact CE2-CB 3.52Å; Y40-R152 HydrophobicContact CE2-CG 3.67Å; Y40-R152 WeakPolarHBondContact CE2-O 3.49Å; Y40-R152 HydrophobicContact CG-CB 4.08Å; Y40-R152 HydrophobicContact CG-CG 3.88Å; A136-R152 HydrophobicContact CB-CG 3.78Å; N137-R152 PolarHBondContact OD1-NH2 3.4Å; Q140-R152 VanDerWaalsContact OE1-CZ 3.3Å; A148-R152 WeakPolarHBondContact O-CB 3.06Å; A148-R152 VanDerWaalsContact O-CG 3.25Å; A148-R152 WeakPolarHBondContact O-CG 3.5Å; A148-R152 PolarHBondContact O-N 3.48Å; N149-R152 PolarHBondContact OD1-NH1 3.31Å; R152-Q155 PolarHBondContact O-N 3.23Å; R152-I156 WeakPolarHBondContact O-CG1 3.5Å; R152-I156 PolarHBondContact O-N 3.39Å |
| 153 | W | 97.5 | Very high | 96.6 | Very high | 107 Ų | 107 | 27.7 Ų | 27.7 | 41% | 0.405 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 177.8 | -170.2 | -96.5 | 0 | 0 | 0 | 111.6 | N149 Y150 M151 I156 F157 L392 A396 | N149-W153 PolarHBondContact O-N 3.28Å; N149-W153 VanDerWaalsContact O-N 3.11Å; Y150-W153 PolarHBondContact O-N 2.88Å; M151-W153 VanDerWaalsContact C-N 3.28Å; M151-W153 PolarHBondContact O-N 3.28Å; W153-I156 PolarHBondContact O-N 2.99Å; W153-F157 HydrophobicContact CD2-CE2 4.11Å; W153-F157 AromaticContact CE2-CE2 3.72Å; W153-F157 HydrophobicContact CE3-CE2 4.39Å; W153-F157 HydrophobicContact CH2-CE2 4.02Å; W153-F157 HydrophobicContact CH2-CZ 4.48Å; W153-F157 AromaticContact CZ2-CE2 3.7Å; W153-F157 HydrophobicContact CZ2-CE2 3.7Å; W153-F157 HydrophobicContact CZ2-CZ 4.36Å; W153-F157 HydrophobicContact CZ3-CE2 4.35Å; W153-F157 WeakPolarHBondContact O-CD2 3.42Å; W153-L392 HydrophobicContact CB-CD2 4.45Å; W153-L392 HydrophobicContact CG-CB 4.43Å; W153-L392 HydrophobicContact CG-CD2 4.36Å; W153-L392 PolarHBondContact NE1-O 3.36Å; W153-A396 HydrophobicContact CZ2-CB 4.33Å |
| 154 | M | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -38.6 | -179.6 | -71 | -178.1 | -70.8 | 0 | 0 | 112.7 | Y150 M151 I156 F157 A158 A294 A359 A360 L392 F395 | Y150-M154 WeakPolarHBondContact O-CE 3.23Å; Y150-M154 PolarHBondContact O-N 3.42Å; Y150-M154 VanDerWaalsContact O-N 3.12Å; M151-M154 PolarHBondContact O-N 3.25Å; M151-M154 VanDerWaalsContact O-N 3.1Å; M154-I156 VanDerWaalsContact C-N 3.31Å; M154-I156 PolarHBondContact O-N 3.38Å; M154-F157 PolarHBondContact O-N 3.3Å; M154-A158 VanDerWaalsContact O-CB 3.23Å; M154-A158 WeakPolarHBondContact O-CB 3.32Å; M154-A158 PolarHBondContact O-N 2.98Å; M154-A294 HydrophobicContact SD-CB 3.74Å; M154-A359 HydrophobicContact CE-CB 3.91Å; M154-A359 HydrophobicContact SD-CB 3.89Å; M154-A360 HydrophobicContact CE-CB 3.74Å; M154-L392 HydrophobicContact CG-CD2 4.18Å; M154-F395 VanDerWaalsContact CA-CE1 3.45Å; M154-F395 HydrophobicContact CB-CD1 4.36Å; M154-F395 HydrophobicContact CB-CE1 3.83Å; M154-F395 HydrophobicContact CB-CZ 3.94Å; M154-F395 HydrophobicContact CG-CD1 3.96Å; M154-F395 HydrophobicContact CG-CD2 4.32Å; M154-F395 HydrophobicContact CG-CE1 3.91Å; M154-F395 HydrophobicContact CG-CE2 4.31Å; M154-F395 HydrophobicContact CG-CG 4.2Å; M154-F395 HydrophobicContact CG-CZ 4.1Å; M154-F395 VanDerWaalsContact O-CE1 3.32Å; M154-F395 WeakPolarHBondContact O-CE1 3.44Å |
| 155 | Q | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -33.9 | 179.9 | -76.8 | 173.3 | -57.3 | 0 | 0 | 114 | Y40 L44 R48 D132 M151 R152 | Y40-Q155 PolarHBondContact OH-OE1 3.46Å; L44-Q155 HydrophobicContact CD1-CB 4.29Å; R48-Q155 PolarHBondContact NH2-O 3.1Å; R48-Q155 VanDerWaalsContact NH2-O 3.09Å; D132-Q155 PolarHBondContact OD1-NE2 3.04Å; M151-Q155 HydrophobicContact CE-CG 4.37Å; M151-Q155 HydrophobicContact CG-CG 4.26Å; M151-Q155 WeakPolarHBondContact O-CG 3.37Å; M151-Q155 PolarHBondContact O-N 3.39Å; R152-Q155 PolarHBondContact O-N 3.23Å |
| 156 | I | 98.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 19.7 Ų | 19.7 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 177.4 | -69 | 165.1 | 0 | 0 | 0 | 110.4 | Y40 L44 A47 R152 W153 M154 | Y40-I156 HydrophobicContact CD2-CD1 3.84Å; Y40-I156 HydrophobicContact CD2-CG1 4.15Å; Y40-I156 HydrophobicContact CE2-CD1 4.3Å; Y40-I156 HydrophobicContact CE2-CG1 4.13Å; L44-I156 HydrophobicContact CB-CG1 4.21Å; L44-I156 HydrophobicContact CD1-CG1 4.34Å; A47-I156 HydrophobicContact CB-CG2 4.33Å; R152-I156 WeakPolarHBondContact O-CG1 3.5Å; R152-I156 PolarHBondContact O-N 3.39Å; W153-I156 PolarHBondContact O-N 2.99Å; M154-I156 VanDerWaalsContact C-N 3.31Å; M154-I156 PolarHBondContact O-N 3.38Å |
| 157 | F | 98.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 14.6 Ų | 14.6 | 23% | 0.232 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -97.4 | -17.5 | -169.8 | -64 | -74.4 | 0 | 0 | 0 | 114.5 | W153 M154 T159 F395 A396 S399 | W153-F157 HydrophobicContact CD2-CE2 4.11Å; W153-F157 AromaticContact CE2-CE2 3.72Å; W153-F157 HydrophobicContact CE3-CE2 4.39Å; W153-F157 HydrophobicContact CH2-CE2 4.02Å; W153-F157 HydrophobicContact CH2-CZ 4.48Å; W153-F157 AromaticContact CZ2-CE2 3.7Å; W153-F157 HydrophobicContact CZ2-CE2 3.7Å; W153-F157 HydrophobicContact CZ2-CZ 4.36Å; W153-F157 HydrophobicContact CZ3-CE2 4.35Å; W153-F157 WeakPolarHBondContact O-CD2 3.42Å; M154-F157 PolarHBondContact O-N 3.3Å; F157-T159 PolarHBondContact O-N 3.24Å; F157-T159 VanDerWaalsContact O-N 3.13Å; F157-F395 HydrophobicContact CB-CD1 4.28Å; F157-F395 HydrophobicContact CB-CE1 3.93Å; F157-A396 HydrophobicContact CB-CB 4.29Å; F157-A396 HydrophobicContact CD1-CB 4.09Å; F157-A396 HydrophobicContact CD2-CB 3.59Å; F157-A396 HydrophobicContact CE1-CB 4.34Å; F157-A396 HydrophobicContact CE2-CB 3.87Å; F157-A396 HydrophobicContact CG-CB 3.72Å; F157-A396 HydrophobicContact CZ-CB 4.24Å; F157-S399 WeakPolarHBondContact O-CB 3.36Å |
| 158 | A | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | trans | -53.5 | 116.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M154 G160 M161 F162 W291 F395 | M154-A158 VanDerWaalsContact O-CB 3.23Å; M154-A158 WeakPolarHBondContact O-CB 3.32Å; M154-A158 PolarHBondContact O-N 2.98Å; A158-G160 VanDerWaalsContact C-N 3.29Å; A158-G160 PolarHBondContact O-N 2.83Å; A158-M161 HydrophobicContact CB-CB 4.16Å; A158-M161 HydrophobicContact CB-CG 3.87Å; A158-M161 PolarHBondContact O-N 3.03Å; A158-M161 VanDerWaalsContact O-N 3.07Å; A158-F162 PolarHBondContact O-N 3.29Å; A158-W291 HydrophobicContact CB-CE3 4.1Å; A158-W291 HydrophobicContact CB-CH2 3.79Å; A158-W291 HydrophobicContact CB-CZ2 4.29Å; A158-W291 HydrophobicContact CB-CZ3 3.68Å; A158-F395 HydrophobicContact CB-CZ 3.97Å | ||
| 159 | T | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 177.4 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | F157 M161 F162 I163 N290 S399 R402 S403 L406 | F157-T159 PolarHBondContact O-N 3.24Å; F157-T159 VanDerWaalsContact O-N 3.13Å; T159-M161 PolarHBondContact O-N 3.45Å; T159-F162 WeakPolarHBondContact O-CA 3.25Å; T159-F162 WeakPolarHBondContact O-CB 3.5Å; T159-F162 PolarHBondContact O-N 3Å; T159-I163 HydrophobicContact CG2-CD1 4.11Å; T159-I163 WeakPolarHBondContact O-CG1 3.49Å; T159-I163 PolarHBondContact O-N 2.9Å; T159-N290 PolarHBondContact N-O 2.9Å; T159-S399 WeakPolarHBondContact OG1-CA 3.31Å; T159-S399 WeakPolarHBondContact OG1-CB 3.43Å; T159-S399 PolarHBondContact OG1-O 3.05Å; T159-R402 HydrophobicContact CG2-CB 4.11Å; T159-R402 HydrophobicContact CG2-CG 3.36Å; T159-S403 WeakPolarHBondContact CG2-OG 3.28Å; T159-S403 PolarHBondContact OG1-OG 3.39Å; T159-L406 HydrophobicContact CG2-CD1 3.8Å |
| 160 | G | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -53.7 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A158 S164 N290 Y352 | A158-G160 VanDerWaalsContact C-N 3.29Å; A158-G160 PolarHBondContact O-N 2.83Å; G160-S164 WeakPolarHBondContact O-CB 3.36Å; G160-S164 PolarHBondContact O-N 3.05Å; G160-S164 PolarHBondContact O-OG 3.36Å; G160-N290 PolarHBondContact N-O 3.44Å; G160-Y352 VanDerWaalsContact O-CE2 3.32Å; G160-Y352 WeakPolarHBondContact O-CE2 3.42Å |
| 161 | M | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -78.6 | -29.3 | 176.7 | -58.7 | -60.8 | -67.7 | 0 | 0 | 113.3 | R48 D132 A158 T159 I163 S165 M175 W291 Y352 | R48-M161 VanDerWaalsContact NH2-CB 3.31Å; D132-M161 WeakPolarHBondContact OD2-CE 3.3Å; A158-M161 HydrophobicContact CB-CB 4.16Å; A158-M161 HydrophobicContact CB-CG 3.87Å; A158-M161 PolarHBondContact O-N 3.03Å; A158-M161 VanDerWaalsContact O-N 3.07Å; T159-M161 PolarHBondContact O-N 3.45Å; M161-I163 VanDerWaalsContact C-N 3.28Å; M161-I163 PolarHBondContact O-N 2.81Å; M161-S165 WeakPolarHBondContact O-CB 3.39Å; M161-S165 PolarHBondContact O-N 3.29Å; M161-S165 PolarHBondContact O-OG 3.39Å; M161-M175 HydrophobicContact CE-CE 3.83Å; M161-M175 HydrophobicContact CE-SD 3.85Å; M161-M175 HydrophobicContact SD-CE 4.36Å; M161-M175 HydrophobicContact SD-SD 3.7Å; M161-W291 HydrophobicContact CG-CH2 3.82Å; M161-W291 HydrophobicContact CG-CZ2 3.9Å; M161-W291 HydrophobicContact SD-CH2 4.26Å; M161-W291 HydrophobicContact SD-CZ2 4.07Å; M161-Y352 HydrophobicContact SD-CD2 4.19Å; M161-Y352 HydrophobicContact SD-CG 4.5Å |
| 162 | F | 98.2 | Very high | 97.9 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 5% | 0.048 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 170.2 | 171.6 | -97.2 | 0 | 0 | 0 | 111 | F50 A51 C55 A158 T159 P166 L406 V407 | F50-F162 HydrophobicContact CD1-CD2 4.19Å; F50-F162 AromaticContact CD1-CE2 3.6Å; F50-F162 HydrophobicContact CD1-CE2 3.6Å; F50-F162 HydrophobicContact CE1-CD2 4.44Å; F50-F162 AromaticContact CE1-CE2 3.61Å; F50-F162 HydrophobicContact CE1-CE2 3.61Å; F50-F162 HydrophobicContact CE1-CZ 4.28Å; A51-F162 VanDerWaalsContact CA-CE2 3.49Å; A51-F162 HydrophobicContact CB-CD2 3.54Å; A51-F162 HydrophobicContact CB-CE2 3.98Å; A51-F162 HydrophobicContact CB-CG 4.24Å; A51-F162 WeakPolarHBondContact CB-O 3.34Å; C55-F162 HydrophobicContact CB-CD1 4.27Å; C55-F162 HydrophobicContact CB-CE1 3.7Å; C55-F162 HydrophobicContact CB-CE2 4.24Å; C55-F162 HydrophobicContact CB-CZ 3.67Å; A158-F162 PolarHBondContact O-N 3.29Å; T159-F162 WeakPolarHBondContact O-CA 3.25Å; T159-F162 WeakPolarHBondContact O-CB 3.5Å; T159-F162 PolarHBondContact O-N 3Å; F162-P166 WeakPolarHBondContact O-CD 2.85Å; F162-L406 HydrophobicContact CD1-CD1 4.48Å; F162-L406 HydrophobicContact CE1-CB 4.47Å; F162-V407 HydrophobicContact CE1-CG2 4.36Å; F162-V407 HydrophobicContact CZ-CG2 3.67Å |
| 163 | I | 97.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 5% | 0.051 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -75.5 | -48.7 | 178.7 | -59.9 | 160.7 | 0 | 0 | 0 | 111.6 | T159 M161 P166 N290 Y349 L406 | T159-I163 HydrophobicContact CG2-CD1 4.11Å; T159-I163 WeakPolarHBondContact O-CG1 3.49Å; T159-I163 PolarHBondContact O-N 2.9Å; M161-I163 VanDerWaalsContact C-N 3.28Å; M161-I163 PolarHBondContact O-N 2.81Å; I163-P166 WeakPolarHBondContact O-CD 3.15Å; I163-N290 WeakPolarHBondContact CD1-OD1 3.27Å; I163-Y349 WeakPolarHBondContact CG2-OH 3.32Å; I163-L406 HydrophobicContact CD1-CD1 3.76Å; I163-L406 HydrophobicContact CG1-CD1 3.88Å |
| 164 | S | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -80.9 | -29.5 | -168.5 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | G160 A167 S172 M175 | G160-S164 WeakPolarHBondContact O-CB 3.36Å; G160-S164 PolarHBondContact O-N 3.05Å; G160-S164 PolarHBondContact O-OG 3.36Å; S164-A167 PolarHBondContact O-N 2.89Å; S164-S172 WeakPolarHBondContact O-CB 3.4Å; S164-S172 PolarHBondContact O-OG 2.75Å; S164-M175 VanDerWaalsContact OG-CE 3.23Å; S164-M175 WeakPolarHBondContact OG-CE 3.35Å; S164-M175 PolarHBondContact OG-SD 2.72Å |
| 165 | S | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.021 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -37.1 | -172.8 | 62 | 0 | 0 | 0 | 0 | 116 | R48 F124 A125 S128 M161 | R48-S165 VanDerWaalsContact CD-OG 3.25Å; R48-S165 WeakPolarHBondContact CD-OG 3.32Å; F124-S165 CarbonylContact C-O 3.47Å; F124-S165 WeakPolarHBondContact CB-O 3.44Å; A125-S165 WeakPolarHBondContact CA-O 3.33Å; A125-S165 PolarHBondContact N-O 3.39Å; S128-S165 WeakPolarHBondContact OG-CB 3.4Å; M161-S165 WeakPolarHBondContact O-CB 3.39Å; M161-S165 PolarHBondContact O-N 3.29Å; M161-S165 PolarHBondContact O-OG 3.39Å |
| 166 | P | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.5 | 177.9 | 37.3 | -38.1 | 0 | 0 | 0 | 114.4 | A51 A52 C55 R121 A125 F162 I163 | A51-P166 HydrophobicContact CB-CG 4.3Å; A52-P166 HydrophobicContact CB-CB 4.1Å; C55-P166 HydrophobicContact CB-CG 4.24Å; R121-P166 HydrophobicContact CB-CB 4.24Å; A125-P166 HydrophobicContact CB-CB 4.33Å; F162-P166 WeakPolarHBondContact O-CD 2.85Å; I163-P166 WeakPolarHBondContact O-CD 3.15Å |
| 167 | A | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 2% | 0.017 | 5% | 0.045 | C | C | . | . | trans | -76.6 | 132.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E62 S164 L169 S172 | E62-A167 WeakPolarHBondContact OE1-CA 3.32Å; E62-A167 WeakPolarHBondContact OE2-CB 3.23Å; S164-A167 PolarHBondContact O-N 2.89Å; A167-L169 HydrophobicContact CB-CD1 4.23Å; A167-L169 HydrophobicContact CB-CG 4.47Å; A167-L169 PolarHBondContact O-N 2.96Å; A167-S172 WeakPolarHBondContact O-CB 3.22Å | ||
| 168 | L | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -79.5 | 71 | 172.6 | -179.2 | 63.1 | 0 | 0 | 0 | 110 | E62 Y66 W67 L70 F95 F99 F124 | E62-L168 HydrophobicContact CG-CB 4.23Å; E62-L168 PolarHBondContact OE1-N 2.96Å; Y66-L168 WeakPolarHBondContact CB-O 3.47Å; Y66-L168 WeakPolarHBondContact CD2-O 3.44Å; W67-L168 HydrophobicContact CD2-CB 4.29Å; W67-L168 HydrophobicContact CD2-CD2 3.59Å; W67-L168 HydrophobicContact CE3-CD2 3.76Å; W67-L168 HydrophobicContact CG-CD2 4.01Å; W67-L168 HydrophobicContact CH2-CB 4.45Å; W67-L168 HydrophobicContact CH2-CD2 4.36Å; W67-L168 HydrophobicContact CZ2-CB 3.71Å; W67-L168 HydrophobicContact CZ2-CD2 4.2Å; W67-L168 HydrophobicContact CZ3-CD2 4.16Å; L70-L168 HydrophobicContact CD2-CD2 3.91Å; F95-L168 HydrophobicContact CE1-CD1 4.34Å; F99-L168 HydrophobicContact CD2-CD1 4Å; F99-L168 HydrophobicContact CE2-CD1 3.45Å; F99-L168 VanDerWaalsContact CE2-CD1 3.45Å; F99-L168 HydrophobicContact CZ-CD1 4.02Å; F124-L168 HydrophobicContact CE1-CD1 4.33Å; F124-L168 HydrophobicContact CE2-CB 4.06Å; F124-L168 HydrophobicContact CE2-CD1 3.65Å; F124-L168 HydrophobicContact CE2-CG 4.36Å; F124-L168 HydrophobicContact CZ-CD1 3.43Å; F124-L168 VanDerWaalsContact CZ-CD1 3.43Å | ||
| 169 | L | 97.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.016 | 3% | 0.034 | C | C | . | . | trans | -129.7 | 141.9 | 177.2 | -72.8 | 168.5 | 0 | 0 | 0 | 109.9 | D59 E62 Y66 A167 S171 S172 V173 R346 Y349 | D59-L169 HydrophobicContact CB-CD1 4.46Å; E62-L169 HydrophobicContact CB-CD1 4.48Å; E62-L169 HydrophobicContact CB-CD2 4.04Å; E62-L169 HydrophobicContact CB-CG 4.1Å; E62-L169 HydrophobicContact CG-CD2 4.45Å; E62-L169 HydrophobicContact CG-CG 4.1Å; Y66-L169 HydrophobicContact CD2-CD2 3.92Å; Y66-L169 HydrophobicContact CE2-CD2 3.77Å; A167-L169 HydrophobicContact CB-CD1 4.23Å; A167-L169 HydrophobicContact CB-CG 4.47Å; A167-L169 PolarHBondContact O-N 2.96Å; L169-S171 PolarHBondContact O-N 3.11Å; L169-S172 WeakPolarHBondContact O-CB 3.45Å; L169-S172 PolarHBondContact O-N 3.25Å; L169-V173 PolarHBondContact O-N 2.88Å; L169-R346 HydrophobicContact CD1-CB 4.1Å; L169-Y349 HydrophobicContact CD1-CE2 3.99Å | ||
| 170 | P | 97.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 8.6 Ų | 8.6 | 7% | 0.071 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.7 | -30.6 | 173.8 | -24.2 | 33.2 | 0 | 0 | 0 | 112.8 | Y66 F95 V173 A174 C204 W205 | Y66-P170 HydrophobicContact CD1-CG 4.34Å; Y66-P170 VanDerWaalsContact CE1-CD 3.48Å; Y66-P170 HydrophobicContact CE1-CG 3.41Å; Y66-P170 VanDerWaalsContact CE1-CG 3.41Å; Y66-P170 HydrophobicContact CE2-CG 4.26Å; Y66-P170 VanDerWaalsContact OH-CD 3.29Å; Y66-P170 WeakPolarHBondContact OH-CD 3.44Å; Y66-P170 WeakPolarHBondContact OH-CG 3.47Å; F95-P170 HydrophobicContact CD1-CG 4.38Å; F95-P170 HydrophobicContact CE1-CG 3.98Å; F95-P170 HydrophobicContact CE2-CB 4.31Å; F95-P170 HydrophobicContact CE2-CG 4.38Å; F95-P170 HydrophobicContact CZ-CB 4.27Å; F95-P170 HydrophobicContact CZ-CG 3.98Å; P170-V173 PolarHBondContact O-N 2.97Å; P170-A174 WeakPolarHBondContact O-CB 3.43Å; P170-A174 PolarHBondContact O-N 3.28Å; P170-C204 HydrophobicContact CB-CB 4.07Å; P170-C204 WeakPolarHBondContact CB-O 3.45Å; P170-C204 WeakPolarHBondContact O-CB 3.33Å; P170-W205 HydrophobicContact CB-CB 4.47Å |
| 171 | S | 97.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 8.6 Ų | 8.6 | 4% | 0.042 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | L169 M175 R346 | L169-S171 PolarHBondContact O-N 3.11Å; S171-M175 WeakPolarHBondContact O-CB 3.45Å; S171-M175 PolarHBondContact O-N 2.88Å; S171-R346 WeakPolarHBondContact CB-O 3.47Å; S171-R346 PolarHBondContact OG-O 3.07Å |
| 172 | S | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.021 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -71.1 | -41.4 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | S164 A167 L169 M175 T176 Y349 | S164-S172 WeakPolarHBondContact O-CB 3.4Å; S164-S172 PolarHBondContact O-OG 2.75Å; A167-S172 WeakPolarHBondContact O-CB 3.22Å; L169-S172 WeakPolarHBondContact O-CB 3.45Å; L169-S172 PolarHBondContact O-N 3.25Å; S172-M175 WeakPolarHBondContact O-CB 3.45Å; S172-M175 PolarHBondContact O-N 3.32Å; S172-T176 PolarHBondContact O-N 3.39Å; S172-T176 VanDerWaalsContact O-N 3.13Å; S172-T176 PolarHBondContact O-OG1 3.31Å; S172-Y349 VanDerWaalsContact OG-CD2 3.27Å; S172-Y349 WeakPolarHBondContact OG-CD2 3.38Å |
| 173 | V | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 8.1 Ų | 8.1 | 16% | 0.158 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | F95 L169 P170 M175 T176 L177 C204 | F95-V173 HydrophobicContact CE2-CB 4.02Å; F95-V173 HydrophobicContact CE2-CG1 4.35Å; F95-V173 HydrophobicContact CE2-CG2 3.84Å; F95-V173 HydrophobicContact CZ-CB 4.43Å; F95-V173 HydrophobicContact CZ-CG2 3.83Å; L169-V173 PolarHBondContact O-N 2.88Å; P170-V173 PolarHBondContact O-N 2.97Å; V173-M175 VanDerWaalsContact C-N 3.34Å; V173-M175 PolarHBondContact O-N 3.16Å; V173-T176 WeakPolarHBondContact O-CB 3.47Å; V173-T176 PolarHBondContact O-N 2.85Å; V173-T176 VanDerWaalsContact O-N 3.15Å; V173-L177 HydrophobicContact CG1-CD1 3.89Å; V173-L177 HydrophobicContact CG1-CG 4.34Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 3.26Å; V173-C204 VanDerWaalsContact CG1-SG 3.56Å |
| 174 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P170 T176 L177 T178 S200 C204 A208 P350 | P170-A174 WeakPolarHBondContact O-CB 3.43Å; P170-A174 PolarHBondContact O-N 3.28Å; A174-T176 VanDerWaalsContact C-N 3.35Å; A174-T176 PolarHBondContact O-N 3.36Å; A174-L177 PolarHBondContact O-N 2.96Å; A174-T178 WeakPolarHBondContact O-CB 3.46Å; A174-T178 PolarHBondContact O-N 2.96Å; A174-T178 PolarHBondContact O-OG1 2.86Å; A174-S200 VanDerWaalsContact CA-OG 3.27Å; A174-S200 WeakPolarHBondContact CA-OG 3.36Å; A174-S200 VanDerWaalsContact CB-OG 3.25Å; A174-S200 WeakPolarHBondContact CB-OG 3.32Å; A174-S200 PolarHBondContact O-OG 3.43Å; A174-C204 HydrophobicContact CB-CB 4.07Å; A174-A208 HydrophobicContact CB-CB 4.16Å; A174-P350 HydrophobicContact CB-CG 4.29Å |
| 175 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 171.5 | 176.1 | -170.3 | 70.3 | 0 | 0 | 111.3 | M161 S164 S171 S172 V173 T179 Y349 Y352 | M161-M175 HydrophobicContact CE-CE 3.83Å; M161-M175 HydrophobicContact CE-SD 3.85Å; M161-M175 HydrophobicContact SD-CE 4.36Å; M161-M175 HydrophobicContact SD-SD 3.7Å; S164-M175 VanDerWaalsContact OG-CE 3.23Å; S164-M175 WeakPolarHBondContact OG-CE 3.35Å; S164-M175 PolarHBondContact OG-SD 2.72Å; S171-M175 WeakPolarHBondContact O-CB 3.45Å; S171-M175 PolarHBondContact O-N 2.88Å; S172-M175 WeakPolarHBondContact O-CB 3.45Å; S172-M175 PolarHBondContact O-N 3.32Å; V173-M175 VanDerWaalsContact C-N 3.34Å; V173-M175 PolarHBondContact O-N 3.16Å; M175-T179 WeakPolarHBondContact O-CB 3.43Å; M175-T179 PolarHBondContact O-N 2.73Å; M175-T179 PolarHBondContact O-OG1 3.42Å; M175-Y349 VanDerWaalsContact CB-O 3.32Å; M175-Y349 WeakPolarHBondContact CB-O 3.41Å; M175-Y349 WeakPolarHBondContact CG-O 3.13Å; M175-Y352 HydrophobicContact SD-CD2 4.07Å; M175-Y352 HydrophobicContact SD-CG 4.41Å |
| 176 | T | 98.7 | Very high | 98.3 | Very high | 17 Ų | 17 | 10.4 Ų | 10.4 | 10% | 0.104 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 179.9 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | C127 A131 S172 V173 A174 T179 Y180 | C127-T176 HydrophobicContact CB-CG2 4.41Å; A131-T176 HydrophobicContact CB-CG2 3.87Å; S172-T176 PolarHBondContact O-N 3.39Å; S172-T176 VanDerWaalsContact O-N 3.13Å; S172-T176 PolarHBondContact O-OG1 3.31Å; V173-T176 WeakPolarHBondContact O-CB 3.47Å; V173-T176 PolarHBondContact O-N 2.85Å; V173-T176 VanDerWaalsContact O-N 3.15Å; A174-T176 VanDerWaalsContact C-N 3.35Å; A174-T176 PolarHBondContact O-N 3.36Å; T176-T179 WeakPolarHBondContact O-CB 3.49Å; T176-T179 PolarHBondContact O-N 3.01Å; T176-Y180 HydrophobicContact CG2-CD2 4.25Å; T176-Y180 HydrophobicContact CG2-CE2 4.02Å; T176-Y180 WeakPolarHBondContact O-CD2 3.42Å; T176-Y180 PolarHBondContact O-N 2.92Å; T176-Y180 VanDerWaalsContact O-N 3.08Å |
| 177 | L | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 13.6 Ų | 13.6 | 14% | 0.141 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 178.8 | -70.5 | 167.8 | 0 | 0 | 0 | 112.6 | V173 A174 T179 Y180 A181 C196 L199 C204 | V173-L177 HydrophobicContact CG1-CD1 3.89Å; V173-L177 HydrophobicContact CG1-CG 4.34Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 3.26Å; A174-L177 PolarHBondContact O-N 2.96Å; L177-T179 VanDerWaalsContact C-N 3.29Å; L177-T179 PolarHBondContact O-N 2.9Å; L177-Y180 PolarHBondContact O-N 2.91Å; L177-A181 PolarHBondContact O-N 3.22Å; L177-C196 WeakPolarHBondContact O-CB 3.34Å; L177-L199 HydrophobicContact CD1-CB 3.72Å; L177-L199 HydrophobicContact CD2-CB 4.16Å; L177-L199 HydrophobicContact CD2-CD1 4.09Å; L177-C204 VanDerWaalsContact CD1-SG 3.57Å |
| 178 | T | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | A174 Y180 A181 Y182 I197 S200 L211 | A174-T178 WeakPolarHBondContact O-CB 3.46Å; A174-T178 PolarHBondContact O-N 2.96Å; A174-T178 PolarHBondContact O-OG1 2.86Å; T178-Y180 PolarHBondContact O-N 3.31Å; T178-A181 WeakPolarHBondContact O-CB 3.38Å; T178-A181 PolarHBondContact O-N 2.89Å; T178-A181 VanDerWaalsContact O-N 3.16Å; T178-Y182 HydrophobicContact CG2-CD2 3.85Å; T178-Y182 HydrophobicContact CG2-CE2 3.82Å; T178-Y182 WeakPolarHBondContact O-CD2 3.34Å; T178-Y182 PolarHBondContact O-N 3.19Å; T178-I197 HydrophobicContact CG2-CD1 4.49Å; T178-S200 PolarHBondContact OG1-OG 2.85Å; T178-L211 HydrophobicContact CG2-CB 3.95Å; T178-L211 HydrophobicContact CG2-CD1 3.75Å; T178-L211 HydrophobicContact CG2-CG 4.44Å |
| 179 | T | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 111 | A131 L135 M175 T176 L177 Y182 A183 S353 | A131-T179 HydrophobicContact CB-CG2 3.76Å; A131-T179 WeakPolarHBondContact O-CG2 3.46Å; L135-T179 HydrophobicContact CB-CG2 3.86Å; L135-T179 HydrophobicContact CD2-CG2 3.71Å; L135-T179 HydrophobicContact CG-CG2 4.39Å; M175-T179 WeakPolarHBondContact O-CB 3.43Å; M175-T179 PolarHBondContact O-N 2.73Å; M175-T179 PolarHBondContact O-OG1 3.42Å; T176-T179 WeakPolarHBondContact O-CB 3.49Å; T176-T179 PolarHBondContact O-N 3.01Å; L177-T179 VanDerWaalsContact C-N 3.29Å; L177-T179 PolarHBondContact O-N 2.9Å; T179-Y182 PolarHBondContact O-N 2.88Å; T179-A183 WeakPolarHBondContact O-CB 3.49Å; T179-A183 PolarHBondContact O-N 2.95Å; T179-S353 VanDerWaalsContact OG1-CB 3.23Å; T179-S353 WeakPolarHBondContact OG1-CB 3.29Å; T179-S353 PolarHBondContact OG1-OG 3.39Å |
| 180 | Y | 98.8 | Very high | 98 | Very high | 56 Ų | 56 | 19.9 Ų | 19.9 | 22% | 0.22 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 171.7 | -80.8 | -62.1 | 0 | 0 | 0 | 112.8 | L130 A131 C134 T176 L177 T178 Y182 A183 F184 | L130-Y180 VanDerWaalsContact CB-OH 3.23Å; L130-Y180 WeakPolarHBondContact CB-OH 3.2Å; A131-Y180 HydrophobicContact CB-CD1 4.23Å; A131-Y180 HydrophobicContact CB-CD2 3.65Å; A131-Y180 HydrophobicContact CB-CE1 4.06Å; A131-Y180 HydrophobicContact CB-CE2 3.46Å; A131-Y180 VanDerWaalsContact CB-CE2 3.46Å; A131-Y180 HydrophobicContact CB-CG 4.03Å; A131-Y180 PolarHBondContact N-OH 2.67Å; C134-Y180 HydrophobicContact CB-CD1 4.28Å; C134-Y180 HydrophobicContact CB-CE1 4.08Å; T176-Y180 HydrophobicContact CG2-CD2 4.25Å; T176-Y180 HydrophobicContact CG2-CE2 4.02Å; T176-Y180 WeakPolarHBondContact O-CD2 3.42Å; T176-Y180 PolarHBondContact O-N 2.92Å; T176-Y180 VanDerWaalsContact O-N 3.08Å; L177-Y180 PolarHBondContact O-N 2.91Å; T178-Y180 PolarHBondContact O-N 3.31Å; Y180-Y182 VanDerWaalsContact C-N 3.33Å; Y180-Y182 PolarHBondContact O-N 2.95Å; Y180-A183 WeakPolarHBondContact O-CB 3.44Å; Y180-A183 PolarHBondContact O-N 2.99Å; Y180-A183 VanDerWaalsContact O-N 3.14Å; Y180-F184 HydrophobicContact CD1-CE2 4.11Å; Y180-F184 HydrophobicContact CD1-CZ 4.27Å; Y180-F184 HydrophobicContact CG-CE2 4.4Å; Y180-F184 WeakPolarHBondContact O-CD2 3.39Å; Y180-F184 WeakPolarHBondContact O-CG 3.27Å; Y180-F184 PolarHBondContact O-N 2.94Å |
| 181 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L177 T178 F184 W185 A193 C196 I197 I215 | L177-A181 PolarHBondContact O-N 3.22Å; T178-A181 WeakPolarHBondContact O-CB 3.38Å; T178-A181 PolarHBondContact O-N 2.89Å; T178-A181 VanDerWaalsContact O-N 3.16Å; A181-F184 PolarHBondContact O-N 3.31Å; A181-W185 VanDerWaalsContact O-CB 3.24Å; A181-W185 WeakPolarHBondContact O-CB 3.41Å; A181-W185 PolarHBondContact O-N 3.34Å; A181-A193 WeakPolarHBondContact O-CB 3.35Å; A181-C196 HydrophobicContact CB-CB 3.64Å; A181-I197 HydrophobicContact CB-CD1 3.66Å; A181-I197 HydrophobicContact CB-CG1 3.72Å; A181-I215 HydrophobicContact CB-CD1 4.28Å |
| 182 | Y | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.7 | -84 | -116 | 0 | 0 | 0 | 111 | T178 T179 Y180 F184 W185 L186 L211 I215 V326 G329 L354 | T178-Y182 HydrophobicContact CG2-CD2 3.85Å; T178-Y182 HydrophobicContact CG2-CE2 3.82Å; T178-Y182 WeakPolarHBondContact O-CD2 3.34Å; T178-Y182 PolarHBondContact O-N 3.19Å; T179-Y182 PolarHBondContact O-N 2.88Å; Y180-Y182 VanDerWaalsContact C-N 3.33Å; Y180-Y182 PolarHBondContact O-N 2.95Å; Y182-F184 PolarHBondContact O-N 3.18Å; Y182-W185 AromaticContact CD1-CE3 3.85Å; Y182-W185 HydrophobicContact CD1-CE3 3.85Å; Y182-W185 AromaticContact CD1-CZ3 3.73Å; Y182-W185 HydrophobicContact CD1-CZ3 3.73Å; Y182-W185 HydrophobicContact CE1-CE3 4.13Å; Y182-W185 AromaticContact CE1-CZ3 3.6Å; Y182-W185 HydrophobicContact CE1-CZ3 3.6Å; Y182-W185 HydrophobicContact CG-CE3 4.21Å; Y182-W185 HydrophobicContact CG-CZ3 4.5Å; Y182-W185 PolarHBondContact O-N 3.33Å; Y182-L186 VanDerWaalsContact O-CG 3.22Å; Y182-L186 WeakPolarHBondContact O-CG 3.42Å; Y182-L186 PolarHBondContact O-N 2.85Å; Y182-L211 HydrophobicContact CE2-CB 4.49Å; Y182-L211 WeakPolarHBondContact CE2-O 3.48Å; Y182-L211 PolarHBondContact OH-O 3.19Å; Y182-I215 HydrophobicContact CD2-CD1 4.28Å; Y182-I215 HydrophobicContact CE2-CD1 4.21Å; Y182-V326 HydrophobicContact CD1-CG1 4.44Å; Y182-G329 WeakPolarHBondContact OH-CA 3.41Å; Y182-L354 HydrophobicContact CD1-CD2 3.33Å; Y182-L354 HydrophobicContact CD2-CD2 3.96Å; Y182-L354 HydrophobicContact CE1-CD1 3.9Å; Y182-L354 HydrophobicContact CE1-CD2 3.47Å; Y182-L354 VanDerWaalsContact CE1-CD2 3.47Å; Y182-L354 HydrophobicContact CE1-CG 4.33Å; Y182-L354 HydrophobicContact CE2-CD1 4.03Å; Y182-L354 HydrophobicContact CE2-CD2 4.1Å; Y182-L354 HydrophobicContact CG-CD2 3.6Å |
| 183 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.2 | -52.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C134 L135 F138 T179 Y180 W185 L186 | C134-A183 HydrophobicContact CB-CB 4.27Å; L135-A183 HydrophobicContact CB-CB 4.02Å; L135-A183 HydrophobicContact CD1-CB 4Å; F138-A183 HydrophobicContact CD2-CB 3.95Å; F138-A183 VanDerWaalsContact CD2-O 3.22Å; F138-A183 WeakPolarHBondContact CD2-O 3.33Å; T179-A183 WeakPolarHBondContact O-CB 3.49Å; T179-A183 PolarHBondContact O-N 2.95Å; Y180-A183 WeakPolarHBondContact O-CB 3.44Å; Y180-A183 PolarHBondContact O-N 2.99Å; Y180-A183 VanDerWaalsContact O-N 3.14Å; A183-W185 PolarHBondContact O-N 3.49Å; A183-L186 WeakPolarHBondContact O-CB 3.35Å; A183-L186 PolarHBondContact O-N 3.12Å |
| 184 | F | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 23% | 0.232 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 178.8 | -68.2 | -47.4 | 0 | 0 | 0 | 112.7 | F138 Y180 A181 Y182 L186 I187 N188 S189 A193 | F138-F184 HydrophobicContact CE2-CD1 4.15Å; F138-F184 HydrophobicContact CE2-CE1 4.31Å; Y180-F184 HydrophobicContact CD1-CE2 4.11Å; Y180-F184 HydrophobicContact CD1-CZ 4.27Å; Y180-F184 HydrophobicContact CG-CE2 4.4Å; Y180-F184 WeakPolarHBondContact O-CD2 3.39Å; Y180-F184 WeakPolarHBondContact O-CG 3.27Å; Y180-F184 PolarHBondContact O-N 2.94Å; A181-F184 PolarHBondContact O-N 3.31Å; Y182-F184 PolarHBondContact O-N 3.18Å; F184-L186 VanDerWaalsContact C-N 3.32Å; F184-L186 PolarHBondContact O-N 3.34Å; F184-I187 WeakPolarHBondContact O-CG1 3.4Å; F184-I187 PolarHBondContact O-N 3.46Å; F184-N188 PolarHBondContact O-N 2.78Å; F184-S189 PolarHBondContact O-N 2.9Å; F184-A193 HydrophobicContact CB-CB 4.26Å |
| 185 | W | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 176.2 | 172.2 | 46 | 0 | 0 | 0 | 112.7 | A181 Y182 A183 I187 N188 A193 P214 I215 E218 K322 V326 | A181-W185 VanDerWaalsContact O-CB 3.24Å; A181-W185 WeakPolarHBondContact O-CB 3.41Å; A181-W185 PolarHBondContact O-N 3.34Å; Y182-W185 AromaticContact CD1-CE3 3.85Å; Y182-W185 HydrophobicContact CD1-CE3 3.85Å; Y182-W185 AromaticContact CD1-CZ3 3.73Å; Y182-W185 HydrophobicContact CD1-CZ3 3.73Å; Y182-W185 HydrophobicContact CE1-CE3 4.13Å; Y182-W185 AromaticContact CE1-CZ3 3.6Å; Y182-W185 HydrophobicContact CE1-CZ3 3.6Å; Y182-W185 HydrophobicContact CG-CE3 4.21Å; Y182-W185 HydrophobicContact CG-CZ3 4.5Å; Y182-W185 PolarHBondContact O-N 3.33Å; A183-W185 PolarHBondContact O-N 3.49Å; W185-I187 PolarHBondContact O-N 3Å; W185-N188 PolarHBondContact O-N 2.87Å; W185-A193 HydrophobicContact CB-CB 3.83Å; W185-P214 HydrophobicContact CH2-CB 4.14Å; W185-I215 HydrophobicContact CB-CD1 4.27Å; W185-I215 HydrophobicContact CB-CG1 4.4Å; W185-I215 HydrophobicContact CB-CG2 4.44Å; W185-I215 HydrophobicContact CD2-CB 4.31Å; W185-I215 HydrophobicContact CD2-CD1 4.42Å; W185-I215 HydrophobicContact CD2-CG1 3.69Å; W185-I215 HydrophobicContact CD2-CG2 4.35Å; W185-I215 HydrophobicContact CE3-CD1 4.33Å; W185-I215 HydrophobicContact CE3-CG1 3.68Å; W185-I215 HydrophobicContact CG-CB 4.45Å; W185-I215 HydrophobicContact CG-CD1 4.42Å; W185-I215 HydrophobicContact CG-CG1 4.02Å; W185-I215 HydrophobicContact CG-CG2 3.99Å; W185-I215 HydrophobicContact CZ3-CG1 4.09Å; W185-E218 HydrophobicContact CZ2-CB 3.59Å; W185-E218 HydrophobicContact CZ2-CG 3.87Å; W185-E218 PolarHBondContact NE1-OE2 2.78Å; W185-K322 HydrophobicContact CZ2-CG 4.36Å; W185-K322 PolarHBondContact O-NZ 3.47Å; W185-V326 HydrophobicContact CE3-CG2 4.3Å; W185-V326 HydrophobicContact CH2-CG2 3.9Å; W185-V326 HydrophobicContact CZ3-CB 4.35Å; W185-V326 HydrophobicContact CZ3-CG2 3.62Å |
| 186 | L | 97.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.9 | -37.8 | 177.5 | -73.2 | 174 | 0 | 0 | 0 | 112.3 | L135 F138 L139 A142 F143 Y182 A183 F184 K322 V326 | L135-L186 HydrophobicContact CD1-CD1 3.77Å; F138-L186 HydrophobicContact CB-CB 4.32Å; L139-L186 HydrophobicContact CB-CD1 3.99Å; L139-L186 HydrophobicContact CD1-CD1 3.78Å; L139-L186 HydrophobicContact CD1-CD2 4.45Å; A142-L186 HydrophobicContact CB-CB 4.05Å; A142-L186 HydrophobicContact CB-CD2 4.13Å; F143-L186 HydrophobicContact CD2-CD2 4.36Å; F143-L186 HydrophobicContact CE2-CD2 3.57Å; F143-L186 HydrophobicContact CZ-CD2 4.49Å; Y182-L186 VanDerWaalsContact O-CG 3.22Å; Y182-L186 WeakPolarHBondContact O-CG 3.42Å; Y182-L186 PolarHBondContact O-N 2.85Å; A183-L186 WeakPolarHBondContact O-CB 3.35Å; A183-L186 PolarHBondContact O-N 3.12Å; F184-L186 VanDerWaalsContact C-N 3.32Å; F184-L186 PolarHBondContact O-N 3.34Å; L186-K322 HydrophobicContact CD2-CD 4.1Å; L186-K322 PolarHBondContact O-NZ 3.36Å; L186-K322 VanDerWaalsContact O-NZ 3.16Å; L186-V326 HydrophobicContact CD2-CG2 3.95Å |
| 187 | I | 96.1 | Very high | 98.1 | Very high | 67 Ų | 67 | 28.1 Ų | 28.1 | 34% | 0.344 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 13.4 | 177.3 | 61.5 | 164.7 | 0 | 0 | 0 | 113.9 | F138 F184 W185 S189 | F138-I187 HydrophobicContact CB-CG2 3.86Å; F138-I187 HydrophobicContact CD1-CG2 3.81Å; F138-I187 HydrophobicContact CD2-CD1 3.94Å; F138-I187 HydrophobicContact CD2-CG1 4.14Å; F138-I187 HydrophobicContact CD2-CG2 4.15Å; F138-I187 HydrophobicContact CE1-CD1 4.2Å; F138-I187 HydrophobicContact CE1-CG2 4.4Å; F138-I187 HydrophobicContact CE2-CD1 3.53Å; F138-I187 HydrophobicContact CE2-CG1 4.22Å; F138-I187 HydrophobicContact CG-CD1 4.43Å; F138-I187 HydrophobicContact CG-CG2 3.67Å; F138-I187 HydrophobicContact CZ-CD1 3.69Å; F184-I187 WeakPolarHBondContact O-CG1 3.4Å; F184-I187 PolarHBondContact O-N 3.46Å; W185-I187 PolarHBondContact O-N 3Å; I187-S189 PolarHBondContact O-N 3.13Å |
| 188 | N | 95.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 27.3 Ų | 27.3 | 46% | 0.455 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 27 | -178.5 | -50.7 | -57.1 | 0 | 0 | 0 | 114.5 | F184 W185 D190 K322 | F184-N188 PolarHBondContact O-N 2.78Å; W185-N188 PolarHBondContact O-N 2.87Å; N188-D190 PolarHBondContact O-N 3.5Å; N188-K322 PolarHBondContact OD1-NZ 2.87Å |
| 189 | S | 97.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 29 Ų | 29 | 26% | 0.259 | 15% | 0.15 | S | C | . | . | trans | -80.5 | 73.9 | 167 | -169.2 | 0 | 0 | 0 | 0 | 109.4 | F184 I187 F191 S192 A193 | F184-S189 PolarHBondContact O-N 2.9Å; I187-S189 PolarHBondContact O-N 3.13Å; S189-F191 PolarHBondContact O-N 3.4Å; S189-S192 PolarHBondContact O-N 2.96Å; S189-S192 WeakPolarHBondContact OG-CB 3.34Å; S189-S192 PolarHBondContact OG-OG 2.83Å; S189-A193 PolarHBondContact O-N 2.91Å | ||
| 190 | D | 96.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 8% | 0.08 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | -168 | -68.7 | -24.7 | 0 | 0 | 0 | 112.4 | N188 A193 I194 M219 R222 | N188-D190 PolarHBondContact O-N 3.5Å; D190-A193 PolarHBondContact O-N 2.91Å; D190-I194 WeakPolarHBondContact O-CD1 3.28Å; D190-I194 VanDerWaalsContact O-CG1 3.25Å; D190-I194 WeakPolarHBondContact O-CG1 3.42Å; D190-I194 PolarHBondContact O-N 2.89Å; D190-M219 HydrophobicContact CB-CE 3.61Å; D190-M219 HydrophobicContact CB-SD 4.12Å; D190-R222 IonicContact OD1-CZ 3.59Å; D190-R222 IonicContact OD1-NH1 2.88Å; D190-R222 PolarHBondContact OD1-NH1 3.27Å; D190-R222 IonicContact OD1-NH2 3.5Å; D190-R222 PolarHBondContact OD1-NH2 2.95Å; D190-R222 IonicContact OD2-CZ 2.73Å; D190-R222 IonicContact OD2-NH1 3.32Å; D190-R222 PolarHBondContact OD2-NH1 3.01Å; D190-R222 IonicContact OD2-NH2 2.85Å |
| 191 | F | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 27.3 Ų | 27.3 | 40% | 0.404 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 179.9 | 178.7 | -102.3 | 0 | 0 | 0 | 112.1 | S189 A193 I194 F195 L234 | S189-F191 PolarHBondContact O-N 3.4Å; F191-A193 VanDerWaalsContact C-N 3.27Å; F191-A193 PolarHBondContact O-N 2.72Å; F191-I194 PolarHBondContact O-N 3.44Å; F191-F195 WeakPolarHBondContact O-CB 3.48Å; F191-F195 PolarHBondContact O-N 3.24Å; F191-L234 HydrophobicContact CE2-CB 4.46Å; F191-L234 HydrophobicContact CE2-CD2 3.79Å; F191-L234 HydrophobicContact CE2-CG 4.24Å; F191-L234 HydrophobicContact CZ-CD2 4.04Å; F191-L234 HydrophobicContact CZ-CG 4.47Å |
| 192 | S | 98.5 | Very high | 98.1 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61 | -38.6 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | S189 C196 | S189-S192 PolarHBondContact O-N 2.96Å; S189-S192 WeakPolarHBondContact OG-CB 3.34Å; S189-S192 PolarHBondContact OG-OG 2.83Å; S192-C196 WeakPolarHBondContact O-CB 3.42Å; S192-C196 PolarHBondContact O-N 3.29Å; S192-C196 PolarHBondContact O-SG 3.3Å |
| 193 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A181 F184 W185 S189 D190 F191 F195 C196 I197 I215 | A181-A193 WeakPolarHBondContact O-CB 3.35Å; F184-A193 HydrophobicContact CB-CB 4.26Å; W185-A193 HydrophobicContact CB-CB 3.83Å; S189-A193 PolarHBondContact O-N 2.91Å; D190-A193 PolarHBondContact O-N 2.91Å; F191-A193 VanDerWaalsContact C-N 3.27Å; F191-A193 PolarHBondContact O-N 2.72Å; A193-F195 VanDerWaalsContact C-N 3.35Å; A193-F195 PolarHBondContact O-N 3.43Å; A193-C196 PolarHBondContact O-N 2.9Å; A193-I197 PolarHBondContact O-N 3.23Å; A193-I215 HydrophobicContact CB-CD1 4.44Å; A193-I215 HydrophobicContact CB-CG2 4.46Å |
| 194 | I | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 177 | -66.9 | 162.2 | 0 | 0 | 0 | 110.9 | D190 F191 C196 I197 G198 M219 L228 | D190-I194 WeakPolarHBondContact O-CD1 3.28Å; D190-I194 VanDerWaalsContact O-CG1 3.25Å; D190-I194 WeakPolarHBondContact O-CG1 3.42Å; D190-I194 PolarHBondContact O-N 2.89Å; F191-I194 PolarHBondContact O-N 3.44Å; I194-C196 PolarHBondContact O-N 3Å; I194-I197 PolarHBondContact O-N 2.99Å; I194-G198 PolarHBondContact O-N 3.35Å; I194-M219 HydrophobicContact CD1-CE 3.91Å; I194-M219 HydrophobicContact CD1-SD 3.95Å; I194-M219 HydrophobicContact CG1-SD 4.3Å; I194-L228 HydrophobicContact CD1-CD1 3.94Å; I194-L228 HydrophobicContact CG1-CD1 4.21Å |
| 195 | F | 98.7 | Very high | 97.8 | Very high | 63 Ų | 63 | 29 Ų | 29 | 28% | 0.276 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 179.9 | -174.9 | -105.9 | 0 | 0 | 0 | 111.9 | F191 A193 G198 L199 S235 L238 I239 | F191-F195 WeakPolarHBondContact O-CB 3.48Å; F191-F195 PolarHBondContact O-N 3.24Å; A193-F195 VanDerWaalsContact C-N 3.35Å; A193-F195 PolarHBondContact O-N 3.43Å; F195-G198 WeakPolarHBondContact O-CA 3.47Å; F195-G198 PolarHBondContact O-N 3.3Å; F195-G198 VanDerWaalsContact O-N 3.17Å; F195-L199 HydrophobicContact CD1-CD1 3.91Å; F195-L199 HydrophobicContact CD1-CG 4.44Å; F195-L199 HydrophobicContact CE1-CD1 3.48Å; F195-L199 VanDerWaalsContact CE1-CD1 3.48Å; F195-L199 HydrophobicContact CE1-CG 4.07Å; F195-L199 HydrophobicContact CZ-CD1 4.05Å; F195-L199 HydrophobicContact CZ-CD2 4.4Å; F195-L199 HydrophobicContact CZ-CG 4.22Å; F195-L199 PolarHBondContact O-N 3.32Å; F195-S235 WeakPolarHBondContact CA-OG 3.43Å; F195-L238 HydrophobicContact CE2-CB 4.45Å; F195-L238 HydrophobicContact CE2-CD1 4.4Å; F195-I239 HydrophobicContact CD2-CD1 4.47Å; F195-I239 HydrophobicContact CE2-CD1 4.24Å; F195-I239 HydrophobicContact CE2-CG1 4.07Å |
| 196 | C | 98.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 8% | 0.081 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | L177 A181 S192 A193 I194 G198 L199 S200 | L177-C196 WeakPolarHBondContact O-CB 3.34Å; A181-C196 HydrophobicContact CB-CB 3.64Å; S192-C196 WeakPolarHBondContact O-CB 3.42Å; S192-C196 PolarHBondContact O-N 3.29Å; S192-C196 PolarHBondContact O-SG 3.3Å; A193-C196 PolarHBondContact O-N 2.9Å; I194-C196 PolarHBondContact O-N 3Å; C196-G198 VanDerWaalsContact C-N 3.33Å; C196-L199 PolarHBondContact O-N 2.79Å; C196-S200 WeakPolarHBondContact O-CB 3.46Å; C196-S200 PolarHBondContact O-N 2.99Å |
| 197 | I | 98.7 | Very high | 97.8 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 170.8 | -69.1 | -58.6 | 0 | 0 | 0 | 110.7 | T178 A181 A193 I194 L199 S200 T201 I215 | T178-I197 HydrophobicContact CG2-CD1 4.49Å; A181-I197 HydrophobicContact CB-CD1 3.66Å; A181-I197 HydrophobicContact CB-CG1 3.72Å; A193-I197 PolarHBondContact O-N 3.23Å; I194-I197 PolarHBondContact O-N 2.99Å; I197-L199 PolarHBondContact O-N 3.29Å; I197-S200 WeakPolarHBondContact O-CB 3.27Å; I197-S200 PolarHBondContact O-N 3.45Å; I197-T201 VanDerWaalsContact O-CB 3.25Å; I197-T201 WeakPolarHBondContact O-CB 3.15Å; I197-T201 PolarHBondContact O-N 3.48Å; I197-T201 PolarHBondContact O-OG1 3.1Å; I197-I215 HydrophobicContact CD1-CD1 4.24Å; I197-I215 HydrophobicContact CG1-CD1 3.89Å |
| 198 | G | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.5 | -49.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I194 F195 C196 T201 L202 | I194-G198 PolarHBondContact O-N 3.35Å; F195-G198 WeakPolarHBondContact O-CA 3.47Å; F195-G198 PolarHBondContact O-N 3.3Å; F195-G198 VanDerWaalsContact O-N 3.17Å; C196-G198 VanDerWaalsContact C-N 3.33Å; G198-T201 PolarHBondContact O-N 2.9Å; G198-L202 WeakPolarHBondContact O-CB 3.37Å; G198-L202 PolarHBondContact O-N 3.3Å |
| 199 | L | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 26.1 Ų | 26.1 | 18% | 0.183 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -63.5 | -45.3 | 175.9 | -73.1 | 171.3 | 0 | 0 | 0 | 111.3 | L177 F195 C196 I197 T201 L203 C204 I239 | L177-L199 HydrophobicContact CD1-CB 3.72Å; L177-L199 HydrophobicContact CD2-CB 4.16Å; L177-L199 HydrophobicContact CD2-CD1 4.09Å; F195-L199 HydrophobicContact CD1-CD1 3.91Å; F195-L199 HydrophobicContact CD1-CG 4.44Å; F195-L199 HydrophobicContact CE1-CD1 3.48Å; F195-L199 VanDerWaalsContact CE1-CD1 3.48Å; F195-L199 HydrophobicContact CE1-CG 4.07Å; F195-L199 HydrophobicContact CZ-CD1 4.05Å; F195-L199 HydrophobicContact CZ-CD2 4.4Å; F195-L199 HydrophobicContact CZ-CG 4.22Å; F195-L199 PolarHBondContact O-N 3.32Å; C196-L199 PolarHBondContact O-N 2.79Å; I197-L199 PolarHBondContact O-N 3.29Å; L199-T201 PolarHBondContact O-N 3.05Å; L199-L203 HydrophobicContact CD2-CB 4.41Å; L199-L203 HydrophobicContact CD2-CD2 3.93Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.36Å; L199-L203 PolarHBondContact O-N 3.19Å; L199-L203 VanDerWaalsContact O-N 3.1Å; L199-C204 PolarHBondContact O-N 3.27Å; L199-I239 HydrophobicContact CB-CD1 4.44Å; L199-I239 HydrophobicContact CD2-CD1 3.89Å; L199-I239 HydrophobicContact CD2-CG1 3.79Å; L199-I239 HydrophobicContact CD2-CG2 4.45Å; L199-I239 HydrophobicContact CG-CD1 3.91Å; L199-I239 HydrophobicContact CG-CG1 4.32Å; L199-I239 VanDerWaalsContact N-CD1 3.33Å |
| 200 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -58.5 | -34.8 | 177.9 | -171.3 | 0 | 0 | 0 | 0 | 112 | A174 T178 C196 I197 C204 W205 A208 | A174-S200 VanDerWaalsContact CA-OG 3.27Å; A174-S200 WeakPolarHBondContact CA-OG 3.36Å; A174-S200 VanDerWaalsContact CB-OG 3.25Å; A174-S200 WeakPolarHBondContact CB-OG 3.32Å; A174-S200 PolarHBondContact O-OG 3.43Å; T178-S200 PolarHBondContact OG1-OG 2.85Å; C196-S200 WeakPolarHBondContact O-CB 3.46Å; C196-S200 PolarHBondContact O-N 2.99Å; I197-S200 WeakPolarHBondContact O-CB 3.27Å; I197-S200 PolarHBondContact O-N 3.45Å; S200-C204 WeakPolarHBondContact O-CB 3.21Å; S200-W205 PolarHBondContact O-N 3.04Å; S200-A208 VanDerWaalsContact OG-CB 3.29Å; S200-A208 WeakPolarHBondContact OG-CB 3.2Å |
| 201 | T | 98.4 | Very high | 98.1 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -84.2 | -57.6 | -176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | I197 G198 L199 W205 P206 G209 | I197-T201 VanDerWaalsContact O-CB 3.25Å; I197-T201 WeakPolarHBondContact O-CB 3.15Å; I197-T201 PolarHBondContact O-N 3.48Å; I197-T201 PolarHBondContact O-OG1 3.1Å; G198-T201 PolarHBondContact O-N 2.9Å; L199-T201 PolarHBondContact O-N 3.05Å; T201-W205 WeakPolarHBondContact CA-O 3.5Å; T201-W205 CarbonylContact O-C 3.53Å; T201-P206 WeakPolarHBondContact CG2-O 3.41Å; T201-P206 WeakPolarHBondContact O-CA 3.49Å; T201-P206 VanDerWaalsContact O-N 3.07Å; T201-G209 WeakPolarHBondContact OG1-CA 3.39Å; T201-G209 PolarHBondContact OG1-N 3.13Å; T201-G209 VanDerWaalsContact OG1-N 3.15Å |
| 202 | L | 98.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 21.7 Ų | 21.7 | 20% | 0.204 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -82.2 | -47.3 | -169 | -63.2 | 173.1 | 0 | 0 | 0 | 111.5 | G198 A236 I239 L240 M243 P258 | G198-L202 WeakPolarHBondContact O-CB 3.37Å; G198-L202 PolarHBondContact O-N 3.3Å; L202-A236 HydrophobicContact CD1-CB 4.15Å; L202-I239 HydrophobicContact CB-CG2 3.77Å; L202-I239 HydrophobicContact CD1-CB 4.23Å; L202-I239 HydrophobicContact CD1-CD1 4.44Å; L202-I239 HydrophobicContact CD1-CG2 4.26Å; L202-L240 HydrophobicContact CD1-CD2 4.49Å; L202-L240 HydrophobicContact CD1-CG 4.25Å; L202-L240 HydrophobicContact CD2-CD2 4.47Å; L202-M243 VanDerWaalsContact C-SD 3.5Å; L202-M243 HydrophobicContact CB-SD 4.16Å; L202-M243 WeakPolarHBondContact O-CE 3.38Å; L202-M243 VanDerWaalsContact O-SD 3.35Å; L202-P258 HydrophobicContact CD2-CG 4.45Å |
| 203 | L | 97.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 22.4 Ų | 22.4 | 10% | 0.099 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -77.5 | -34.4 | -176.7 | 179.3 | 68.2 | 0 | 0 | 0 | 112.6 | V98 L199 I239 Y242 M243 | V98-L203 HydrophobicContact CG2-CD1 4.34Å; V98-L203 HydrophobicContact CG2-CD2 4.1Å; L199-L203 HydrophobicContact CD2-CB 4.41Å; L199-L203 HydrophobicContact CD2-CD2 3.93Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.36Å; L199-L203 PolarHBondContact O-N 3.19Å; L199-L203 VanDerWaalsContact O-N 3.1Å; L203-I239 HydrophobicContact CB-CG2 4.39Å; L203-Y242 HydrophobicContact CD1-CE1 4.21Å; L203-M243 VanDerWaalsContact CA-SD 3.52Å; L203-M243 HydrophobicContact CB-SD 4.09Å; L203-M243 HydrophobicContact CD1-CG 4.07Å; L203-M243 HydrophobicContact CD1-SD 4.18Å |
| 204 | C | 97.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -105 | -75.1 | -173.9 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | P170 V173 A174 L177 L199 S200 | P170-C204 HydrophobicContact CB-CB 4.07Å; P170-C204 WeakPolarHBondContact CB-O 3.45Å; P170-C204 WeakPolarHBondContact O-CB 3.33Å; V173-C204 VanDerWaalsContact CG1-SG 3.56Å; A174-C204 HydrophobicContact CB-CB 4.07Å; L177-C204 VanDerWaalsContact CD1-SG 3.57Å; L199-C204 PolarHBondContact O-N 3.27Å; S200-C204 WeakPolarHBondContact O-CB 3.21Å |
| 205 | W | 96 | Very high | 98 | Very high | 22 Ų | 22 | 22 Ų | 22 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | trans | -145.7 | 116.1 | -172.1 | -165.9 | 41.2 | 0 | 0 | 0 | 111.9 | P170 S200 T201 F207 A208 W333 F337 F347 P350 | P170-W205 HydrophobicContact CB-CB 4.47Å; S200-W205 PolarHBondContact O-N 3.04Å; T201-W205 WeakPolarHBondContact CA-O 3.5Å; T201-W205 CarbonylContact O-C 3.53Å; W205-F207 AromaticContact CD1-CD2 3.84Å; W205-F207 HydrophobicContact CD2-CB 4.45Å; W205-F207 HydrophobicContact CD2-CD2 4.14Å; W205-F207 AromaticContact CE2-CD2 3.45Å; W205-F207 VanDerWaalsContact CE2-CD2 3.45Å; W205-F207 HydrophobicContact CG-CD2 4.32Å; W205-F207 HydrophobicContact CZ2-CB 4.44Å; W205-F207 AromaticContact CZ2-CD2 3.8Å; W205-F207 HydrophobicContact CZ2-CD2 3.8Å; W205-F207 HydrophobicContact CZ2-CG 4.46Å; W205-F207 AromaticContact NE1-CD2 3.27Å; W205-F207 VanDerWaalsContact NE1-CD2 3.27Å; W205-F207 AromaticContact NE1-CE2 3.67Å; W205-F207 PolarHBondContact O-N 2.89Å; W205-A208 WeakPolarHBondContact O-CB 3.35Å; W205-A208 PolarHBondContact O-N 3.4Å; W205-W333 HydrophobicContact CE3-CH2 4.16Å; W205-W333 HydrophobicContact CE3-CZ2 4.28Å; W205-W333 HydrophobicContact CH2-CH2 4.49Å; W205-W333 HydrophobicContact CH2-CZ2 4.08Å; W205-W333 AromaticContact CZ3-CH2 3.81Å; W205-W333 HydrophobicContact CZ3-CH2 3.81Å; W205-W333 AromaticContact CZ3-CZ2 3.51Å; W205-W333 HydrophobicContact CZ3-CZ2 3.51Å; W205-F337 HydrophobicContact CH2-CD1 4.5Å; W205-F337 AromaticContact CH2-CE1 3.43Å; W205-F337 HydrophobicContact CH2-CE1 3.43Å; W205-F337 VanDerWaalsContact CH2-CE1 3.43Å; W205-F337 AromaticContact CH2-CZ 3.44Å; W205-F337 HydrophobicContact CH2-CZ 3.44Å; W205-F337 VanDerWaalsContact CH2-CZ 3.44Å; W205-F337 AromaticContact CZ2-CE1 3.9Å; W205-F337 HydrophobicContact CZ2-CE1 3.9Å; W205-F337 AromaticContact CZ2-CZ 3.97Å; W205-F337 HydrophobicContact CZ2-CZ 3.97Å; W205-F337 HydrophobicContact CZ3-CE1 4.43Å; W205-F337 HydrophobicContact CZ3-CZ 4.12Å; W205-F347 HydrophobicContact CH2-CB 3.85Å; W205-F347 AromaticContact CH2-CD1 3.56Å; W205-F347 HydrophobicContact CH2-CD1 3.56Å; W205-F347 HydrophobicContact CH2-CE1 4.42Å; W205-F347 AromaticContact CH2-CG 3.91Å; W205-F347 HydrophobicContact CH2-CG 3.91Å; W205-F347 AromaticContact CZ2-CD1 3.69Å; W205-F347 HydrophobicContact CZ2-CD1 3.69Å; W205-F347 HydrophobicContact CZ2-CE1 4.1Å; W205-F347 HydrophobicContact CZ2-CG 4.31Å; W205-F347 HydrophobicContact CZ3-CD1 4.48Å; W205-P350 HydrophobicContact CE3-CG 3.84Å; W205-P350 HydrophobicContact CZ3-CG 3.8Å | ||
| 206 | P | 96.9 | Very high | 98 | Very high | 20 Ų | 20 | 20.1 Ų | 20.1 | 13% | 0.13 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -60.3 | -27 | -169.4 | 20.4 | -33.1 | 0 | 0 | 0 | 114.1 | T201 A208 G209 P258 I261 V262 | T201-P206 WeakPolarHBondContact CG2-O 3.41Å; T201-P206 WeakPolarHBondContact O-CA 3.49Å; T201-P206 VanDerWaalsContact O-N 3.07Å; P206-A208 PolarHBondContact O-N 3.25Å; P206-G209 PolarHBondContact O-N 3.39Å; P206-P258 HydrophobicContact CB-CB 4.23Å; P206-P258 HydrophobicContact CG-CB 4.39Å; P206-I261 HydrophobicContact CG-CB 4.24Å; P206-I261 HydrophobicContact CG-CG2 3.95Å; P206-V262 HydrophobicContact CB-CG2 3.7Å; P206-V262 HydrophobicContact CG-CG2 3.79Å |
| 207 | F | 96.6 | Very high | 97.9 | Very high | 57 Ų | 57 | 22.8 Ų | 22.8 | 25% | 0.25 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -72.4 | -18.6 | 179 | -51.2 | -78.8 | 0 | 0 | 0 | 113.1 | W205 G209 L210 I261 N265 V266 W333 F337 | W205-F207 AromaticContact CD1-CD2 3.84Å; W205-F207 HydrophobicContact CD2-CB 4.45Å; W205-F207 HydrophobicContact CD2-CD2 4.14Å; W205-F207 AromaticContact CE2-CD2 3.45Å; W205-F207 VanDerWaalsContact CE2-CD2 3.45Å; W205-F207 HydrophobicContact CG-CD2 4.32Å; W205-F207 HydrophobicContact CZ2-CB 4.44Å; W205-F207 AromaticContact CZ2-CD2 3.8Å; W205-F207 HydrophobicContact CZ2-CD2 3.8Å; W205-F207 HydrophobicContact CZ2-CG 4.46Å; W205-F207 AromaticContact NE1-CD2 3.27Å; W205-F207 VanDerWaalsContact NE1-CD2 3.27Å; W205-F207 AromaticContact NE1-CE2 3.67Å; W205-F207 PolarHBondContact O-N 2.89Å; F207-G209 PolarHBondContact O-N 3.09Å; F207-G209 VanDerWaalsContact O-N 3.13Å; F207-L210 WeakPolarHBondContact O-CB 3.35Å; F207-L210 PolarHBondContact O-N 2.88Å; F207-L210 VanDerWaalsContact O-N 3.14Å; F207-I261 HydrophobicContact CE2-CG2 4.11Å; F207-N265 HydrophobicContact CZ-CB 3.94Å; F207-V266 HydrophobicContact CE1-CG2 3.89Å; F207-V266 HydrophobicContact CZ-CG2 4.29Å; F207-W333 VanDerWaalsContact O-CZ3 3.32Å; F207-W333 WeakPolarHBondContact O-CZ3 3.33Å; F207-F337 HydrophobicContact CB-CE2 4.45Å; F207-F337 HydrophobicContact CB-CZ 3.86Å; F207-F337 HydrophobicContact CG-CZ 4.45Å |
| 208 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -61.4 | -18.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A174 S200 W205 P206 L210 L211 | A174-A208 HydrophobicContact CB-CB 4.16Å; S200-A208 VanDerWaalsContact OG-CB 3.29Å; S200-A208 WeakPolarHBondContact OG-CB 3.2Å; W205-A208 WeakPolarHBondContact O-CB 3.35Å; W205-A208 PolarHBondContact O-N 3.4Å; P206-A208 PolarHBondContact O-N 3.25Å; A208-L210 PolarHBondContact O-N 2.89Å; A208-L210 VanDerWaalsContact O-N 3.11Å; A208-L211 WeakPolarHBondContact O-CB 3.49Å; A208-L211 PolarHBondContact O-N 3.33Å |
| 209 | G | 98 | Very high | 97.8 | Very high | 24 Ų | 24 | 22 Ų | 22 | 25% | 0.247 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -56.4 | -26.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T201 P206 F207 L211 G212 | T201-G209 WeakPolarHBondContact OG1-CA 3.39Å; T201-G209 PolarHBondContact OG1-N 3.13Å; T201-G209 VanDerWaalsContact OG1-N 3.15Å; P206-G209 PolarHBondContact O-N 3.39Å; F207-G209 PolarHBondContact O-N 3.09Å; F207-G209 VanDerWaalsContact O-N 3.13Å; G209-L211 PolarHBondContact O-N 3.04Å; G209-G212 PolarHBondContact O-N 3.02Å |
| 210 | L | 98.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 25.1 Ų | 25.1 | 20% | 0.199 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -55.5 | -35.3 | 172.9 | -176.8 | 64.1 | 0 | 0 | 0 | 112.4 | F207 A208 G212 V213 M332 W333 V336 | F207-L210 WeakPolarHBondContact O-CB 3.35Å; F207-L210 PolarHBondContact O-N 2.88Å; F207-L210 VanDerWaalsContact O-N 3.14Å; A208-L210 PolarHBondContact O-N 2.89Å; A208-L210 VanDerWaalsContact O-N 3.11Å; L210-G212 PolarHBondContact O-N 3.47Å; L210-V213 HydrophobicContact CD1-CG2 4.48Å; L210-V213 WeakPolarHBondContact O-CB 3.33Å; L210-V213 WeakPolarHBondContact O-CG2 3.48Å; L210-V213 PolarHBondContact O-N 3.36Å; L210-M332 HydrophobicContact CD1-CB 4.48Å; L210-M332 HydrophobicContact CD1-CE 3.66Å; L210-M332 HydrophobicContact CG-CB 4.42Å; L210-W333 HydrophobicContact CB-CE3 4.27Å; L210-W333 HydrophobicContact CB-CZ3 4.18Å; L210-W333 HydrophobicContact CD2-CE3 3.98Å; L210-W333 HydrophobicContact CD2-CZ3 4.49Å; L210-W333 HydrophobicContact CG-CE3 4.47Å; L210-V336 HydrophobicContact CD1-CG2 4.44Å; L210-V336 HydrophobicContact CD2-CB 3.87Å; L210-V336 HydrophobicContact CD2-CG1 4.32Å; L210-V336 HydrophobicContact CD2-CG2 3.67Å |
| 211 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -74.5 | -12.5 | -179.4 | -60.6 | 175 | 0 | 0 | 0 | 112.9 | T178 Y182 A208 G209 P214 G329 W333 P350 L354 | T178-L211 HydrophobicContact CG2-CB 3.95Å; T178-L211 HydrophobicContact CG2-CD1 3.75Å; T178-L211 HydrophobicContact CG2-CG 4.44Å; Y182-L211 HydrophobicContact CE2-CB 4.49Å; Y182-L211 WeakPolarHBondContact CE2-O 3.48Å; Y182-L211 PolarHBondContact OH-O 3.19Å; A208-L211 WeakPolarHBondContact O-CB 3.49Å; A208-L211 PolarHBondContact O-N 3.33Å; G209-L211 PolarHBondContact O-N 3.04Å; L211-P214 WeakPolarHBondContact O-CD 3.22Å; L211-G329 WeakPolarHBondContact CD2-O 3.45Å; L211-W333 HydrophobicContact CD1-CD2 4.36Å; L211-W333 HydrophobicContact CD1-CE3 3.76Å; L211-W333 HydrophobicContact CD1-CH2 4.46Å; L211-W333 HydrophobicContact CD1-CZ3 3.81Å; L211-W333 HydrophobicContact CD2-CB 4.1Å; L211-W333 HydrophobicContact CD2-CD2 4.12Å; L211-W333 HydrophobicContact CD2-CE3 3.51Å; L211-W333 HydrophobicContact CD2-CG 4.42Å; L211-W333 HydrophobicContact CD2-CZ3 4.27Å; L211-W333 HydrophobicContact CG-CD2 4.37Å; L211-W333 HydrophobicContact CG-CE3 3.46Å; L211-W333 VanDerWaalsContact CG-CE3 3.46Å; L211-W333 HydrophobicContact CG-CZ3 3.69Å; L211-P350 HydrophobicContact CD1-CB 3.64Å; L211-P350 WeakPolarHBondContact CD1-O 3.22Å; L211-L354 HydrophobicContact CD2-CD1 3.9Å |
| 212 | G | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -80.9 | -15.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G209 L210 I215 A216 | G209-G212 PolarHBondContact O-N 3.02Å; L210-G212 PolarHBondContact O-N 3.47Å; G212-I215 WeakPolarHBondContact O-CB 3.48Å; G212-I215 PolarHBondContact O-N 3.47Å; G212-A216 PolarHBondContact O-N 3.32Å |
| 213 | V | 98.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -44.9 | -177.6 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | L210 I215 A216 L217 M332 | L210-V213 HydrophobicContact CD1-CG2 4.48Å; L210-V213 WeakPolarHBondContact O-CB 3.33Å; L210-V213 WeakPolarHBondContact O-CG2 3.48Å; L210-V213 PolarHBondContact O-N 3.36Å; V213-I215 VanDerWaalsContact C-N 3.27Å; V213-I215 PolarHBondContact O-N 2.92Å; V213-A216 PolarHBondContact O-N 3.26Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.08Å; V213-L217 WeakPolarHBondContact O-CG 3.4Å; V213-L217 PolarHBondContact O-N 3.35Å; V213-M332 HydrophobicContact CB-CE 3.7Å; V213-M332 HydrophobicContact CB-SD 4.25Å; V213-M332 HydrophobicContact CG1-CE 3.67Å; V213-M332 HydrophobicContact CG1-SD 4.19Å; V213-M332 HydrophobicContact CG2-CE 4.11Å |
| 214 | P | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -35.1 | 176.7 | -23.3 | 34.5 | 0 | 0 | 0 | 113.7 | W185 L211 E218 Y325 M328 M332 | W185-P214 HydrophobicContact CH2-CB 4.14Å; L211-P214 WeakPolarHBondContact O-CD 3.22Å; P214-E218 WeakPolarHBondContact O-CB 3.46Å; P214-E218 PolarHBondContact O-N 2.94Å; P214-Y325 VanDerWaalsContact CB-O 3.28Å; P214-Y325 WeakPolarHBondContact CB-O 3.46Å; P214-M328 HydrophobicContact CB-CB 4.13Å; P214-M328 HydrophobicContact CG-CB 3.8Å; P214-M332 HydrophobicContact CG-SD 4.12Å |
| 215 | I | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 175.3 | -55.9 | -179 | 0 | 0 | 0 | 109.4 | A181 Y182 W185 A193 I197 G212 V213 L217 E218 M219 | A181-I215 HydrophobicContact CB-CD1 4.28Å; Y182-I215 HydrophobicContact CD2-CD1 4.28Å; Y182-I215 HydrophobicContact CE2-CD1 4.21Å; W185-I215 HydrophobicContact CB-CD1 4.27Å; W185-I215 HydrophobicContact CB-CG1 4.4Å; W185-I215 HydrophobicContact CB-CG2 4.44Å; W185-I215 HydrophobicContact CD2-CB 4.31Å; W185-I215 HydrophobicContact CD2-CD1 4.42Å; W185-I215 HydrophobicContact CD2-CG1 3.69Å; W185-I215 HydrophobicContact CD2-CG2 4.35Å; W185-I215 HydrophobicContact CE3-CD1 4.33Å; W185-I215 HydrophobicContact CE3-CG1 3.68Å; W185-I215 HydrophobicContact CG-CB 4.45Å; W185-I215 HydrophobicContact CG-CD1 4.42Å; W185-I215 HydrophobicContact CG-CG1 4.02Å; W185-I215 HydrophobicContact CG-CG2 3.99Å; W185-I215 HydrophobicContact CZ3-CG1 4.09Å; A193-I215 HydrophobicContact CB-CD1 4.44Å; A193-I215 HydrophobicContact CB-CG2 4.46Å; I197-I215 HydrophobicContact CD1-CD1 4.24Å; I197-I215 HydrophobicContact CG1-CD1 3.89Å; G212-I215 WeakPolarHBondContact O-CB 3.48Å; G212-I215 PolarHBondContact O-N 3.47Å; V213-I215 VanDerWaalsContact C-N 3.27Å; V213-I215 PolarHBondContact O-N 2.92Å; I215-L217 PolarHBondContact O-N 2.76Å; I215-E218 PolarHBondContact O-N 3.07Å; I215-M219 HydrophobicContact CG2-CG 4.46Å; I215-M219 HydrophobicContact CG2-SD 4.09Å; I215-M219 WeakPolarHBondContact O-CB 3.49Å; I215-M219 VanDerWaalsContact O-CG 3.27Å; I215-M219 WeakPolarHBondContact O-CG 3.46Å; I215-M219 PolarHBondContact O-N 3.17Å |
| 216 | A | 98 | Very high | 96.9 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G212 V213 E218 M219 M220 L228 | G212-A216 PolarHBondContact O-N 3.32Å; V213-A216 PolarHBondContact O-N 3.26Å; A216-E218 PolarHBondContact O-N 3.39Å; A216-M219 PolarHBondContact O-N 3.48Å; A216-M220 VanDerWaalsContact O-CG 3.26Å; A216-M220 WeakPolarHBondContact O-CG 3.39Å; A216-M220 PolarHBondContact O-N 3.36Å; A216-L228 HydrophobicContact CB-CD1 4.17Å; A216-L228 HydrophobicContact CB-CD2 3.85Å |
| 217 | L | 97.5 | Very high | 96.8 | Very high | 67 Ų | 67 | 62.1 Ų | 62.1 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 178.9 | -70.3 | 175.9 | 0 | 0 | 0 | 112 | V213 I215 M220 V221 Y325 M328 | V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.08Å; V213-L217 WeakPolarHBondContact O-CG 3.4Å; V213-L217 PolarHBondContact O-N 3.35Å; I215-L217 PolarHBondContact O-N 2.76Å; L217-M220 WeakPolarHBondContact O-CB 3.32Å; L217-M220 PolarHBondContact O-N 3.19Å; L217-V221 WeakPolarHBondContact O-CG2 3.18Å; L217-V221 PolarHBondContact O-N 2.99Å; L217-V221 VanDerWaalsContact O-N 3.08Å; L217-Y325 HydrophobicContact CB-CD1 4.22Å; L217-Y325 HydrophobicContact CB-CE1 4.17Å; L217-M328 HydrophobicContact CD1-CE 4.37Å |
| 218 | E | 96.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.065 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 178.4 | -168.9 | -86 | 165.7 | 0 | 0 | 111.9 | W185 P214 I215 A216 M220 V221 R222 K322 Y325 | W185-E218 HydrophobicContact CZ2-CB 3.59Å; W185-E218 HydrophobicContact CZ2-CG 3.87Å; W185-E218 PolarHBondContact NE1-OE2 2.78Å; P214-E218 WeakPolarHBondContact O-CB 3.46Å; P214-E218 PolarHBondContact O-N 2.94Å; I215-E218 PolarHBondContact O-N 3.07Å; A216-E218 PolarHBondContact O-N 3.39Å; E218-M220 VanDerWaalsContact C-N 3.32Å; E218-M220 PolarHBondContact O-N 3Å; E218-V221 PolarHBondContact O-N 3.39Å; E218-R222 PolarHBondContact O-N 3.01Å; E218-R222 VanDerWaalsContact OE1-CD 3.22Å; E218-R222 WeakPolarHBondContact OE1-CD 3.47Å; E218-R222 IonicContact OE1-CZ 3.63Å; E218-R222 IonicContact OE1-NE 3.87Å; E218-R222 PolarHBondContact OE1-NE 3.01Å; E218-R222 IonicContact OE2-CZ 2.85Å; E218-R222 IonicContact OE2-NE 3.1Å; E218-R222 PolarHBondContact OE2-NE 2.93Å; E218-R222 IonicContact OE2-NH2 3.03Å; E218-R222 PolarHBondContact OE2-NH2 2.72Å; E218-K322 WeakPolarHBondContact OE1-CE 3.12Å; E218-Y325 HydrophobicContact CB-CD1 3.89Å; E218-Y325 HydrophobicContact CB-CD2 3.89Å; E218-Y325 HydrophobicContact CB-CE1 4.29Å; E218-Y325 HydrophobicContact CB-CE2 4.28Å; E218-Y325 HydrophobicContact CB-CG 3.68Å; E218-Y325 HydrophobicContact CG-CD2 3.62Å; E218-Y325 HydrophobicContact CG-CE2 3.98Å; E218-Y325 HydrophobicContact CG-CG 3.94Å |
| 219 | M | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 173.4 | -76.7 | -175.9 | 71.3 | 0 | 0 | 112.4 | D190 I194 I215 A216 R222 R223 C224 K227 L228 | D190-M219 HydrophobicContact CB-CE 3.61Å; D190-M219 HydrophobicContact CB-SD 4.12Å; I194-M219 HydrophobicContact CD1-CE 3.91Å; I194-M219 HydrophobicContact CD1-SD 3.95Å; I194-M219 HydrophobicContact CG1-SD 4.3Å; I215-M219 HydrophobicContact CG2-CG 4.46Å; I215-M219 HydrophobicContact CG2-SD 4.09Å; I215-M219 WeakPolarHBondContact O-CB 3.49Å; I215-M219 VanDerWaalsContact O-CG 3.27Å; I215-M219 WeakPolarHBondContact O-CG 3.46Å; I215-M219 PolarHBondContact O-N 3.17Å; A216-M219 PolarHBondContact O-N 3.48Å; M219-R222 VanDerWaalsContact CG-NH2 3.33Å; M219-R222 CarbonylContact O-C 3.54Å; M219-R222 PolarHBondContact O-N 3.34Å; M219-R223 PolarHBondContact O-N 3.35Å; M219-C224 HydrophobicContact CB-CB 4.33Å; M219-C224 HydrophobicContact CE-CB 4.11Å; M219-C224 WeakPolarHBondContact O-CB 3.11Å; M219-C224 PolarHBondContact O-N 2.88Å; M219-K227 HydrophobicContact CE-CB 4.3Å; M219-L228 HydrophobicContact CE-CB 3.88Å; M219-L228 HydrophobicContact CE-CD1 4.46Å; M219-L228 HydrophobicContact SD-CB 4.44Å; M219-L228 HydrophobicContact SD-CD1 4.02Å |
| 220 | M | 96.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 68.6 Ų | 68.6 | 49% | 0.488 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.4 | -72.7 | 171.4 | 68.1 | 0 | 0 | 111.3 | A216 L217 E218 R222 R223 F225 L228 | A216-M220 VanDerWaalsContact O-CG 3.26Å; A216-M220 WeakPolarHBondContact O-CG 3.39Å; A216-M220 PolarHBondContact O-N 3.36Å; L217-M220 WeakPolarHBondContact O-CB 3.32Å; L217-M220 PolarHBondContact O-N 3.19Å; E218-M220 VanDerWaalsContact C-N 3.32Å; E218-M220 PolarHBondContact O-N 3Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 3.48Å; M220-R223 WeakPolarHBondContact O-CA 3.31Å; M220-R223 PolarHBondContact O-N 2.67Å; M220-F225 HydrophobicContact CG-CD2 4.37Å; M220-L228 HydrophobicContact CG-CD2 4.25Å |
| 221 | V | 95.1 | Very high | 96.9 | Very high | 98 Ų | 98 | 66.9 Ų | 66.9 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111.8 | L217 E218 R223 Y325 | L217-V221 WeakPolarHBondContact O-CG2 3.18Å; L217-V221 PolarHBondContact O-N 2.99Å; L217-V221 VanDerWaalsContact O-N 3.08Å; E218-V221 PolarHBondContact O-N 3.39Å; V221-R223 PolarHBondContact O-N 3.46Å; V221-Y325 WeakPolarHBondContact CG2-OH 3.35Å |
| 222 | R | 94.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 70.2 Ų | 70.2 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 7.2 | 168.9 | -72.4 | -166.4 | -69.6 | 118.3 | -6.2 | 114.5 | D190 E218 M219 M220 C224 | D190-R222 IonicContact OD1-CZ 3.59Å; D190-R222 IonicContact OD1-NH1 2.88Å; D190-R222 PolarHBondContact OD1-NH1 3.27Å; D190-R222 IonicContact OD1-NH2 3.5Å; D190-R222 PolarHBondContact OD1-NH2 2.95Å; D190-R222 IonicContact OD2-CZ 2.73Å; D190-R222 IonicContact OD2-NH1 3.32Å; D190-R222 PolarHBondContact OD2-NH1 3.01Å; D190-R222 IonicContact OD2-NH2 2.85Å; E218-R222 PolarHBondContact O-N 3.01Å; E218-R222 VanDerWaalsContact OE1-CD 3.22Å; E218-R222 WeakPolarHBondContact OE1-CD 3.47Å; E218-R222 IonicContact OE1-CZ 3.63Å; E218-R222 IonicContact OE1-NE 3.87Å; E218-R222 PolarHBondContact OE1-NE 3.01Å; E218-R222 IonicContact OE2-CZ 2.85Å; E218-R222 IonicContact OE2-NE 3.1Å; E218-R222 PolarHBondContact OE2-NE 2.93Å; E218-R222 IonicContact OE2-NH2 3.03Å; E218-R222 PolarHBondContact OE2-NH2 2.72Å; M219-R222 VanDerWaalsContact CG-NH2 3.33Å; M219-R222 CarbonylContact O-C 3.54Å; M219-R222 PolarHBondContact O-N 3.34Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 3.48Å; R222-C224 PolarHBondContact O-N 2.73Å; R222-C224 PolarHBondContact O-SG 3.07Å; R222-C224 VanDerWaalsContact O-SG 3.39Å |
| 223 | R | 94 | Very high | 96.9 | Very high | 233 Ų | 233 | 75.2 Ų | 75.2 | 88% | 0.879 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.8 | -177.9 | -56.5 | -176.4 | 176.2 | -178.1 | -1.9 | 113.9 | M219 M220 V221 F225 | M219-R223 PolarHBondContact O-N 3.35Å; M220-R223 WeakPolarHBondContact O-CA 3.31Å; M220-R223 PolarHBondContact O-N 2.67Å; V221-R223 PolarHBondContact O-N 3.46Å; R223-F225 VanDerWaalsContact C-N 3.34Å; R223-F225 PolarHBondContact O-N 2.88Å |
| 224 | C | 94.2 | Very high | 97 | Very high | 22 Ų | 22 | 75.6 Ų | 75.6 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | trans | -94.4 | 27.7 | -179.6 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | M219 R222 R226 K227 L228 | M219-C224 HydrophobicContact CB-CB 4.33Å; M219-C224 HydrophobicContact CE-CB 4.11Å; M219-C224 WeakPolarHBondContact O-CB 3.11Å; M219-C224 PolarHBondContact O-N 2.88Å; R222-C224 PolarHBondContact O-N 2.73Å; R222-C224 PolarHBondContact O-SG 3.07Å; R222-C224 VanDerWaalsContact O-SG 3.39Å; C224-R226 PolarHBondContact O-N 3.48Å; C224-K227 WeakPolarHBondContact O-CB 3.34Å; C224-K227 PolarHBondContact O-N 2.98Å; C224-K227 VanDerWaalsContact O-N 3.13Å; C224-L228 PolarHBondContact O-N 3.46Å | ||
| 225 | F | 94.9 | Very high | 97 | Very high | 121 Ų | 121 | 75.7 Ų | 75.7 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.6 | -43.6 | -173.6 | -178 | -104.4 | 0 | 0 | 0 | 113.8 | M220 R223 K227 L228 V229 | M220-F225 HydrophobicContact CG-CD2 4.37Å; R223-F225 VanDerWaalsContact C-N 3.34Å; R223-F225 PolarHBondContact O-N 2.88Å; F225-K227 VanDerWaalsContact C-N 3.32Å; F225-K227 PolarHBondContact O-N 3.47Å; F225-L228 WeakPolarHBondContact O-CB 3.42Å; F225-L228 PolarHBondContact O-N 3.3Å; F225-V229 HydrophobicContact CD1-CG2 4.2Å; F225-V229 HydrophobicContact CD2-CG2 4.34Å; F225-V229 HydrophobicContact CE1-CG2 3.73Å; F225-V229 HydrophobicContact CE2-CG2 3.89Å; F225-V229 HydrophobicContact CG-CG2 4.49Å; F225-V229 HydrophobicContact CZ-CG2 3.57Å; F225-V229 WeakPolarHBondContact O-CG2 3.23Å; F225-V229 PolarHBondContact O-N 2.99Å |
| 226 | R | 96.9 | Very high | 97 | Very high | 225 Ų | 225 | 76.9 Ų | 76.9 | 85% | 0.849 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.2 | -40.4 | 177.7 | -68.6 | -176.2 | -180 | 174.9 | -0.3 | 112.3 | C224 F230 | C224-R226 PolarHBondContact O-N 3.48Å; R226-F230 VanDerWaalsContact O-CB 3.27Å; R226-F230 WeakPolarHBondContact O-CB 3.42Å; R226-F230 PolarHBondContact O-N 3.37Å |
| 227 | K | 96.6 | Very high | 97 | Very high | 137 Ų | 137 | 78.5 Ų | 78.5 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 176.2 | -66.6 | -173.3 | 178.5 | -178.6 | 0 | 111.3 | M219 C224 F225 G231 | M219-K227 HydrophobicContact CE-CB 4.3Å; C224-K227 WeakPolarHBondContact O-CB 3.34Å; C224-K227 PolarHBondContact O-N 2.98Å; C224-K227 VanDerWaalsContact O-N 3.13Å; F225-K227 VanDerWaalsContact C-N 3.32Å; F225-K227 PolarHBondContact O-N 3.47Å; K227-G231 WeakPolarHBondContact O-CA 3.38Å; K227-G231 PolarHBondContact O-N 3.14Å |
| 228 | L | 98.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 79.6 Ų | 79.6 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.3 | -53.3 | 175.8 | 177 | 62.9 | 0 | 0 | 0 | 111.2 | I194 A216 M219 M220 C224 F225 G231 T232 | I194-L228 HydrophobicContact CD1-CD1 3.94Å; I194-L228 HydrophobicContact CG1-CD1 4.21Å; A216-L228 HydrophobicContact CB-CD1 4.17Å; A216-L228 HydrophobicContact CB-CD2 3.85Å; M219-L228 HydrophobicContact CE-CB 3.88Å; M219-L228 HydrophobicContact CE-CD1 4.46Å; M219-L228 HydrophobicContact SD-CB 4.44Å; M219-L228 HydrophobicContact SD-CD1 4.02Å; M220-L228 HydrophobicContact CG-CD2 4.25Å; C224-L228 PolarHBondContact O-N 3.46Å; F225-L228 WeakPolarHBondContact O-CB 3.42Å; F225-L228 PolarHBondContact O-N 3.3Å; L228-G231 PolarHBondContact O-N 2.92Å; L228-T232 VanDerWaalsContact O-CB 3.28Å; L228-T232 WeakPolarHBondContact O-CB 3.2Å; L228-T232 PolarHBondContact O-N 3.32Å; L228-T232 PolarHBondContact O-OG1 2.95Å |
| 229 | V | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 79.3 Ų | 79.3 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -51.8 | -178.7 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | F225 G231 T232 L233 | F225-V229 HydrophobicContact CD1-CG2 4.2Å; F225-V229 HydrophobicContact CD2-CG2 4.34Å; F225-V229 HydrophobicContact CE1-CG2 3.73Å; F225-V229 HydrophobicContact CE2-CG2 3.89Å; F225-V229 HydrophobicContact CG-CG2 4.49Å; F225-V229 HydrophobicContact CZ-CG2 3.57Å; F225-V229 WeakPolarHBondContact O-CG2 3.23Å; F225-V229 PolarHBondContact O-N 2.99Å; V229-G231 PolarHBondContact O-N 3.02Å; V229-T232 PolarHBondContact O-N 3.25Å; V229-L233 HydrophobicContact CG1-CD1 3.93Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 WeakPolarHBondContact O-CG 3.19Å; V229-L233 PolarHBondContact O-N 3.45Å |
| 230 | F | 98.2 | Very high | 97.2 | Very high | 138 Ų | 138 | 81.9 Ų | 81.9 | 61% | 0.605 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 179.7 | 179.4 | -97.7 | 0 | 0 | 0 | 111.9 | R226 T232 L233 L234 | R226-F230 VanDerWaalsContact O-CB 3.27Å; R226-F230 WeakPolarHBondContact O-CB 3.42Å; R226-F230 PolarHBondContact O-N 3.37Å; F230-T232 VanDerWaalsContact C-N 3.29Å; F230-T232 PolarHBondContact O-N 3.38Å; F230-L233 PolarHBondContact O-N 3.29Å; F230-L234 HydrophobicContact CE1-CD2 3.81Å; F230-L234 HydrophobicContact CZ-CD2 4.08Å; F230-L234 VanDerWaalsContact O-CB 3.25Å; F230-L234 WeakPolarHBondContact O-CB 3.32Å; F230-L234 PolarHBondContact O-N 3.07Å |
| 231 | G | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K227 L228 V229 S235 | K227-G231 WeakPolarHBondContact O-CA 3.38Å; K227-G231 PolarHBondContact O-N 3.14Å; L228-G231 PolarHBondContact O-N 2.92Å; V229-G231 PolarHBondContact O-N 3.02Å; G231-S235 WeakPolarHBondContact O-CB 3.34Å; G231-S235 PolarHBondContact O-N 3Å; G231-S235 PolarHBondContact O-OG 3.35Å |
| 232 | T | 98.5 | Very high | 97.4 | Very high | 69 Ų | 69 | 80.4 Ų | 80.4 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.4 | -49.3 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | L228 V229 F230 S235 A236 | L228-T232 VanDerWaalsContact O-CB 3.28Å; L228-T232 WeakPolarHBondContact O-CB 3.2Å; L228-T232 PolarHBondContact O-N 3.32Å; L228-T232 PolarHBondContact O-OG1 2.95Å; V229-T232 PolarHBondContact O-N 3.25Å; F230-T232 VanDerWaalsContact C-N 3.29Å; F230-T232 PolarHBondContact O-N 3.38Å; T232-S235 PolarHBondContact O-N 2.83Å; T232-A236 WeakPolarHBondContact O-CB 3.42Å; T232-A236 PolarHBondContact O-N 3.2Å |
| 233 | L | 98.4 | Very high | 97.6 | Very high | 118 Ų | 118 | 76.9 Ų | 76.9 | 62% | 0.618 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 178.8 | -68.7 | 175.5 | 0 | 0 | 0 | 111.7 | V229 F230 A236 A237 | V229-L233 HydrophobicContact CG1-CD1 3.93Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 WeakPolarHBondContact O-CG 3.19Å; V229-L233 PolarHBondContact O-N 3.45Å; F230-L233 PolarHBondContact O-N 3.29Å; L233-A236 PolarHBondContact O-N 3.41Å; L233-A237 WeakPolarHBondContact O-CB 3.47Å; L233-A237 PolarHBondContact O-N 3.13Å |
| 234 | L | 98.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 177.4 | -179.5 | 59.4 | 0 | 0 | 0 | 111.5 | F191 F230 A237 L238 | F191-L234 HydrophobicContact CE2-CB 4.46Å; F191-L234 HydrophobicContact CE2-CD2 3.79Å; F191-L234 HydrophobicContact CE2-CG 4.24Å; F191-L234 HydrophobicContact CZ-CD2 4.04Å; F191-L234 HydrophobicContact CZ-CG 4.47Å; F230-L234 HydrophobicContact CE1-CD2 3.81Å; F230-L234 HydrophobicContact CZ-CD2 4.08Å; F230-L234 VanDerWaalsContact O-CB 3.25Å; F230-L234 WeakPolarHBondContact O-CB 3.32Å; F230-L234 PolarHBondContact O-N 3.07Å; L234-A237 PolarHBondContact O-N 2.94Å; L234-L238 HydrophobicContact CD1-CD1 4.1Å; L234-L238 HydrophobicContact CD1-CG 4.14Å; L234-L238 HydrophobicContact CG-CD1 4.05Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.4Å; L234-L238 PolarHBondContact O-N 3.16Å |
| 235 | S | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | F195 G231 T232 A237 L238 I239 | F195-S235 WeakPolarHBondContact CA-OG 3.43Å; G231-S235 WeakPolarHBondContact O-CB 3.34Å; G231-S235 PolarHBondContact O-N 3Å; G231-S235 PolarHBondContact O-OG 3.35Å; T232-S235 PolarHBondContact O-N 2.83Å; S235-A237 PolarHBondContact O-N 2.91Å; S235-L238 PolarHBondContact O-N 2.99Å; S235-I239 WeakPolarHBondContact O-CB 3.43Å; S235-I239 WeakPolarHBondContact O-CD1 3.14Å; S235-I239 WeakPolarHBondContact O-CG1 3.39Å; S235-I239 PolarHBondContact O-N 3.05Å |
| 236 | A | 98.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 66.1 Ų | 66.1 | 24% | 0.24 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L202 T232 L233 I239 L240 | L202-A236 HydrophobicContact CD1-CB 4.15Å; T232-A236 WeakPolarHBondContact O-CB 3.42Å; T232-A236 PolarHBondContact O-N 3.2Å; L233-A236 PolarHBondContact O-N 3.41Å; A236-I239 PolarHBondContact O-N 3.11Å; A236-L240 VanDerWaalsContact O-CB 3.24Å; A236-L240 WeakPolarHBondContact O-CB 3.24Å; A236-L240 VanDerWaalsContact O-CG 3.22Å; A236-L240 WeakPolarHBondContact O-CG 3.32Å; A236-L240 PolarHBondContact O-N 3.08Å |
| 237 | A | 98.5 | Very high | 98.3 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 49% | 0.488 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L233 L234 S235 I239 S241 | L233-A237 WeakPolarHBondContact O-CB 3.47Å; L233-A237 PolarHBondContact O-N 3.13Å; L234-A237 PolarHBondContact O-N 2.94Å; S235-A237 PolarHBondContact O-N 2.91Å; A237-I239 PolarHBondContact O-N 3Å; A237-S241 WeakPolarHBondContact O-CB 3.41Å; A237-S241 PolarHBondContact O-N 3.03Å; A237-S241 PolarHBondContact O-OG 3.44Å; A237-S241 VanDerWaalsContact O-OG 3.13Å |
| 238 | L | 98.4 | Very high | 98.4 | Very high | 91 Ų | 91 | 50 Ų | 50 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 179.8 | -70.8 | 173.3 | 0 | 0 | 0 | 113 | F195 L234 S235 S241 | F195-L238 HydrophobicContact CE2-CB 4.45Å; F195-L238 HydrophobicContact CE2-CD1 4.4Å; L234-L238 HydrophobicContact CD1-CD1 4.1Å; L234-L238 HydrophobicContact CD1-CG 4.14Å; L234-L238 HydrophobicContact CG-CD1 4.05Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.4Å; L234-L238 PolarHBondContact O-N 3.16Å; S235-L238 PolarHBondContact O-N 2.99Å; L238-S241 PolarHBondContact O-OG 3.14Å |
| 239 | I | 98.5 | Very high | 98.4 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.5 | -44.4 | -178 | -63.2 | 163.8 | 0 | 0 | 0 | 110.3 | F195 L199 L202 L203 S235 A236 A237 S241 Y242 M243 | F195-I239 HydrophobicContact CD2-CD1 4.47Å; F195-I239 HydrophobicContact CE2-CD1 4.24Å; F195-I239 HydrophobicContact CE2-CG1 4.07Å; L199-I239 HydrophobicContact CB-CD1 4.44Å; L199-I239 HydrophobicContact CD2-CD1 3.89Å; L199-I239 HydrophobicContact CD2-CG1 3.79Å; L199-I239 HydrophobicContact CD2-CG2 4.45Å; L199-I239 HydrophobicContact CG-CD1 3.91Å; L199-I239 HydrophobicContact CG-CG1 4.32Å; L199-I239 VanDerWaalsContact N-CD1 3.33Å; L202-I239 HydrophobicContact CB-CG2 3.77Å; L202-I239 HydrophobicContact CD1-CB 4.23Å; L202-I239 HydrophobicContact CD1-CD1 4.44Å; L202-I239 HydrophobicContact CD1-CG2 4.26Å; L203-I239 HydrophobicContact CB-CG2 4.39Å; S235-I239 WeakPolarHBondContact O-CB 3.43Å; S235-I239 WeakPolarHBondContact O-CD1 3.14Å; S235-I239 WeakPolarHBondContact O-CG1 3.39Å; S235-I239 PolarHBondContact O-N 3.05Å; A236-I239 PolarHBondContact O-N 3.11Å; A237-I239 PolarHBondContact O-N 3Å; I239-S241 VanDerWaalsContact C-N 3.32Å; I239-S241 PolarHBondContact O-N 2.98Å; I239-Y242 PolarHBondContact O-N 2.8Å; I239-M243 HydrophobicContact CG2-CG 4.23Å; I239-M243 HydrophobicContact CG2-SD 3.64Å; I239-M243 WeakPolarHBondContact O-CG 3.29Å; I239-M243 PolarHBondContact O-N 3.33Å |
| 240 | L | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 29% | 0.288 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.4 | -31 | 178.7 | -67.3 | 173.7 | 0 | 0 | 0 | 112.3 | L202 A236 Y242 M243 V244 V256 | L202-L240 HydrophobicContact CD1-CD2 4.49Å; L202-L240 HydrophobicContact CD1-CG 4.25Å; L202-L240 HydrophobicContact CD2-CD2 4.47Å; A236-L240 VanDerWaalsContact O-CB 3.24Å; A236-L240 WeakPolarHBondContact O-CB 3.24Å; A236-L240 VanDerWaalsContact O-CG 3.22Å; A236-L240 WeakPolarHBondContact O-CG 3.32Å; A236-L240 PolarHBondContact O-N 3.08Å; L240-Y242 PolarHBondContact O-N 3.13Å; L240-M243 PolarHBondContact O-N 3.15Å; L240-V244 HydrophobicContact CB-CG2 4.31Å; L240-V244 HydrophobicContact CD2-CG2 4.28Å; L240-V244 WeakPolarHBondContact O-CB 3.22Å; L240-V244 WeakPolarHBondContact O-CG2 3.25Å; L240-V244 PolarHBondContact O-N 2.93Å; L240-V256 HydrophobicContact CD2-CG1 4.45Å |
| 241 | S | 98 | Very high | 98.4 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -23.3 | 174.5 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | A237 L238 I239 P245 | A237-S241 WeakPolarHBondContact O-CB 3.41Å; A237-S241 PolarHBondContact O-N 3.03Å; A237-S241 PolarHBondContact O-OG 3.44Å; A237-S241 VanDerWaalsContact O-OG 3.13Å; L238-S241 PolarHBondContact O-OG 3.14Å; I239-S241 VanDerWaalsContact C-N 3.32Å; I239-S241 PolarHBondContact O-N 2.98Å; S241-P245 VanDerWaalsContact O-CD 3.23Å; S241-P245 WeakPolarHBondContact O-CD 3.06Å; S241-P245 VanDerWaalsContact O-CG 3.26Å; S241-P245 WeakPolarHBondContact O-CG 3.5Å |
| 242 | Y | 98.1 | Very high | 98.3 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 35% | 0.345 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -83.4 | -51.1 | 169.7 | 170.1 | -104.1 | 0 | 0 | 0 | 111.5 | A94 V98 L203 I239 L240 I246 | A94-Y242 HydrophobicContact CB-CD1 4.26Å; A94-Y242 HydrophobicContact CB-CE1 3.76Å; A94-Y242 PolarHBondContact O-OH 3.17Å; V98-Y242 HydrophobicContact CG2-CE1 4.24Å; L203-Y242 HydrophobicContact CD1-CE1 4.21Å; I239-Y242 PolarHBondContact O-N 2.8Å; L240-Y242 PolarHBondContact O-N 3.13Å; Y242-I246 HydrophobicContact CD1-CD1 4.47Å; Y242-I246 HydrophobicContact CD2-CD1 3.56Å; Y242-I246 HydrophobicContact CE1-CD1 4.12Å; Y242-I246 HydrophobicContact CE2-CD1 3.13Å; Y242-I246 HydrophobicContact CG-CD1 4.22Å; Y242-I246 VanDerWaalsContact CZ-CD1 3.43Å; Y242-I246 WeakPolarHBondContact O-CG1 3.13Å |
| 243 | M | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -49.3 | -170.7 | -69.9 | 180 | 67.4 | 0 | 0 | 113.5 | A94 L202 L203 I239 L240 I246 D247 P258 | A94-M243 HydrophobicContact CB-CB 4.32Å; A94-M243 HydrophobicContact CB-CG 4.17Å; L202-M243 VanDerWaalsContact C-SD 3.5Å; L202-M243 HydrophobicContact CB-SD 4.16Å; L202-M243 WeakPolarHBondContact O-CE 3.38Å; L202-M243 VanDerWaalsContact O-SD 3.35Å; L203-M243 VanDerWaalsContact CA-SD 3.52Å; L203-M243 HydrophobicContact CB-SD 4.09Å; L203-M243 HydrophobicContact CD1-CG 4.07Å; L203-M243 HydrophobicContact CD1-SD 4.18Å; I239-M243 HydrophobicContact CG2-CG 4.23Å; I239-M243 HydrophobicContact CG2-SD 3.64Å; I239-M243 WeakPolarHBondContact O-CG 3.29Å; I239-M243 PolarHBondContact O-N 3.33Å; L240-M243 PolarHBondContact O-N 3.15Å; M243-I246 PolarHBondContact O-N 3.35Å; M243-D247 WeakPolarHBondContact O-CB 3.28Å; M243-D247 PolarHBondContact O-N 3.49Å; M243-P258 HydrophobicContact CE-CG 4.26Å |
| 244 | V | 98.5 | Very high | 98.2 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | -170.7 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | L240 I246 S248 V256 | L240-V244 HydrophobicContact CB-CG2 4.31Å; L240-V244 HydrophobicContact CD2-CG2 4.28Å; L240-V244 WeakPolarHBondContact O-CB 3.22Å; L240-V244 WeakPolarHBondContact O-CG2 3.25Å; L240-V244 PolarHBondContact O-N 2.93Å; V244-I246 VanDerWaalsContact C-N 3.35Å; V244-I246 PolarHBondContact O-N 3.05Å; V244-S248 WeakPolarHBondContact O-CB 3.45Å; V244-S248 PolarHBondContact O-N 3.19Å; V244-S248 PolarHBondContact O-OG 2.69Å; V244-V256 HydrophobicContact CG2-CG2 4.02Å |
| 245 | P | 98.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.8 | -25.7 | 37.6 | 0 | 0 | 0 | 113.2 | S241 Y249 | S241-P245 VanDerWaalsContact O-CD 3.23Å; S241-P245 WeakPolarHBondContact O-CD 3.06Å; S241-P245 VanDerWaalsContact O-CG 3.26Å; S241-P245 WeakPolarHBondContact O-CG 3.5Å; P245-Y249 WeakPolarHBondContact O-CB 3.46Å; P245-Y249 PolarHBondContact O-N 3.27Å |
| 246 | I | 98.3 | Very high | 98.1 | Very high | 36 Ų | 36 | 49.6 Ų | 49.6 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.9 | -55.1 | -179.4 | -71.4 | 176.7 | 0 | 0 | 0 | 110.7 | A94 L97 Y242 M243 V244 S248 Y249 F250 | A94-I246 HydrophobicContact CB-CB 3.99Å; A94-I246 HydrophobicContact CB-CD1 4.41Å; A94-I246 HydrophobicContact CB-CG2 3.73Å; L97-I246 HydrophobicContact CD1-CG2 3.66Å; Y242-I246 HydrophobicContact CD1-CD1 4.47Å; Y242-I246 HydrophobicContact CD2-CD1 3.56Å; Y242-I246 HydrophobicContact CE1-CD1 4.12Å; Y242-I246 HydrophobicContact CE2-CD1 3.13Å; Y242-I246 HydrophobicContact CG-CD1 4.22Å; Y242-I246 VanDerWaalsContact CZ-CD1 3.43Å; Y242-I246 WeakPolarHBondContact O-CG1 3.13Å; M243-I246 PolarHBondContact O-N 3.35Å; V244-I246 VanDerWaalsContact C-N 3.35Å; V244-I246 PolarHBondContact O-N 3.05Å; I246-S248 PolarHBondContact O-N 3.2Å; I246-Y249 WeakPolarHBondContact O-CB 3.42Å; I246-Y249 PolarHBondContact O-N 2.94Å; I246-F250 HydrophobicContact CG2-CD2 3.97Å; I246-F250 HydrophobicContact CG2-CE2 3.95Å; I246-F250 VanDerWaalsContact O-CD2 3.29Å; I246-F250 WeakPolarHBondContact O-CD2 3.47Å; I246-F250 PolarHBondContact O-N 2.9Å; I246-F250 VanDerWaalsContact O-N 3.12Å |
| 247 | D | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | -179.8 | -72.8 | -24.3 | 0 | 0 | 0 | 110.1 | S92 Y93 A94 M243 Y249 F250 Y251 V255 | S92-D247 WeakPolarHBondContact CA-OD1 3.48Å; S92-D247 WeakPolarHBondContact CB-OD2 3.49Å; S92-D247 PolarHBondContact OG-OD1 3.22Å; S92-D247 PolarHBondContact OG-OD2 3.25Å; Y93-D247 PolarHBondContact N-OD1 3.35Å; A94-D247 PolarHBondContact N-OD1 3.38Å; M243-D247 WeakPolarHBondContact O-CB 3.28Å; M243-D247 PolarHBondContact O-N 3.49Å; D247-Y249 VanDerWaalsContact C-N 3.3Å; D247-Y249 PolarHBondContact O-N 2.98Å; D247-F250 PolarHBondContact O-N 3.18Å; D247-Y251 HydrophobicContact CB-CD2 4.27Å; D247-Y251 WeakPolarHBondContact O-CB 3.41Å; D247-Y251 WeakPolarHBondContact O-CD2 3.46Å; D247-Y251 PolarHBondContact O-N 2.85Å; D247-V255 HydrophobicContact CB-CB 4.26Å; D247-V255 HydrophobicContact CB-CG1 4.14Å |
| 248 | S | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 177.5 | -54 | 0 | 0 | 0 | 0 | 113.2 | V244 I246 G252 K253 T254 V255 | V244-S248 WeakPolarHBondContact O-CB 3.45Å; V244-S248 PolarHBondContact O-N 3.19Å; V244-S248 PolarHBondContact O-OG 2.69Å; I246-S248 PolarHBondContact O-N 3.2Å; S248-G252 WeakPolarHBondContact O-CA 3.12Å; S248-G252 PolarHBondContact O-N 2.95Å; S248-K253 WeakPolarHBondContact CA-O 3.41Å; S248-K253 VanDerWaalsContact CB-O 3.24Å; S248-K253 WeakPolarHBondContact CB-O 3.32Å; S248-K253 PolarHBondContact O-N 2.94Å; S248-K253 PolarHBondContact OG-O 2.97Å; S248-T254 WeakPolarHBondContact OG-CA 3.45Å; S248-V255 PolarHBondContact OG-N 3.47Å |
| 249 | Y | 98.2 | Very high | 97.7 | Very high | 122 Ų | 122 | 46 Ų | 46 | 48% | 0.478 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 175 | 173.1 | -97 | 0 | 0 | 0 | 112.3 | P245 I246 D247 P475 R479 | P245-Y249 WeakPolarHBondContact O-CB 3.46Å; P245-Y249 PolarHBondContact O-N 3.27Å; I246-Y249 WeakPolarHBondContact O-CB 3.42Å; I246-Y249 PolarHBondContact O-N 2.94Å; D247-Y249 VanDerWaalsContact C-N 3.3Å; D247-Y249 PolarHBondContact O-N 2.98Å; Y249-P475 HydrophobicContact CD1-CB 4.2Å; Y249-P475 HydrophobicContact CD1-CG 4.37Å; Y249-P475 HydrophobicContact CE1-CB 3.72Å; Y249-P475 HydrophobicContact CE1-CG 3.67Å; Y249-P475 HydrophobicContact CE2-CG 4.07Å; Y249-P475 WeakPolarHBondContact OH-CD 3.26Å; Y249-R479 VanDerWaalsContact O-CZ 3.29Å; Y249-R479 PolarHBondContact O-NE 3.27Å; Y249-R479 PolarHBondContact O-NH2 3.41Å |
| 250 | F | 98 | Very high | 97.6 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.3 | -32.4 | -179.9 | -75.4 | -80.3 | 0 | 0 | 0 | 113 | L73 Y93 L97 I246 D247 I474 P475 T478 R479 | L73-F250 HydrophobicContact CD2-CD1 4.18Å; L73-F250 HydrophobicContact CD2-CE1 3.48Å; L73-F250 VanDerWaalsContact CD2-CE1 3.48Å; L73-F250 HydrophobicContact CD2-CZ 3.92Å; Y93-F250 HydrophobicContact CD1-CB 4.35Å; Y93-F250 HydrophobicContact CD1-CD1 4.25Å; Y93-F250 HydrophobicContact CD1-CG 4.16Å; Y93-F250 HydrophobicContact CD2-CB 3.33Å; Y93-F250 HydrophobicContact CD2-CD2 4.47Å; Y93-F250 AromaticContact CD2-CG 3.95Å; Y93-F250 HydrophobicContact CD2-CG 3.95Å; Y93-F250 HydrophobicContact CE2-CB 3.68Å; Y93-F250 HydrophobicContact CE2-CG 4.48Å; Y93-F250 HydrophobicContact CG-CB 3.7Å; Y93-F250 HydrophobicContact CG-CD1 4.31Å; Y93-F250 HydrophobicContact CG-CD2 4.05Å; Y93-F250 AromaticContact CG-CG 3.75Å; Y93-F250 HydrophobicContact CG-CG 3.75Å; L97-F250 HydrophobicContact CD1-CD2 4.5Å; L97-F250 HydrophobicContact CD1-CE2 3.49Å; L97-F250 VanDerWaalsContact CD1-CE2 3.49Å; L97-F250 HydrophobicContact CD1-CZ 3.92Å; I246-F250 HydrophobicContact CG2-CD2 3.97Å; I246-F250 HydrophobicContact CG2-CE2 3.95Å; I246-F250 VanDerWaalsContact O-CD2 3.29Å; I246-F250 WeakPolarHBondContact O-CD2 3.47Å; I246-F250 PolarHBondContact O-N 2.9Å; I246-F250 VanDerWaalsContact O-N 3.12Å; D247-F250 PolarHBondContact O-N 3.18Å; F250-I474 HydrophobicContact CD1-CG2 4.2Å; F250-I474 HydrophobicContact CE1-CG2 3.59Å; F250-P475 HydrophobicContact CD1-CB 4.2Å; F250-T478 HydrophobicContact CD1-CG2 4.09Å; F250-T478 CarbonylContact O-C 3.37Å; F250-T478 WeakPolarHBondContact O-CB 3.45Å; F250-T478 PolarHBondContact O-OG1 3.12Å; F250-R479 WeakPolarHBondContact O-CG 3.27Å; F250-R479 PolarHBondContact O-N 3.43Å |
| 251 | Y | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -86.7 | -16.2 | 178 | -74.3 | -61.2 | 0 | 0 | 0 | 114.5 | Y84 P86 A89 R91 Y93 D247 K253 V255 | Y84-Y251 WeakPolarHBondContact O-CE1 3.24Å; P86-Y251 HydrophobicContact CB-CD1 4.12Å; P86-Y251 HydrophobicContact CG-CD1 4.14Å; A89-Y251 HydrophobicContact CB-CD1 3.72Å; A89-Y251 HydrophobicContact CB-CD2 3.86Å; A89-Y251 HydrophobicContact CB-CE1 3.55Å; A89-Y251 HydrophobicContact CB-CE2 3.75Å; A89-Y251 HydrophobicContact CB-CG 3.85Å; R91-Y251 WeakPolarHBondContact O-CE2 3.43Å; R91-Y251 PolarHBondContact O-OH 3.12Å; Y93-Y251 HydrophobicContact CD2-CD2 4.34Å; Y93-Y251 AromaticContact CD2-CE2 3.88Å; Y93-Y251 HydrophobicContact CD2-CE2 3.88Å; Y93-Y251 HydrophobicContact CE2-CD1 4.31Å; Y93-Y251 HydrophobicContact CE2-CD2 4.46Å; Y93-Y251 AromaticContact CE2-CE1 3.88Å; Y93-Y251 HydrophobicContact CE2-CE1 3.88Å; Y93-Y251 HydrophobicContact CE2-CE2 4.01Å; Y93-Y251 AromaticContact CE2-CZ 3.7Å; D247-Y251 HydrophobicContact CB-CD2 4.27Å; D247-Y251 WeakPolarHBondContact O-CB 3.41Å; D247-Y251 WeakPolarHBondContact O-CD2 3.46Å; D247-Y251 PolarHBondContact O-N 2.85Å; Y251-K253 PolarHBondContact O-N 3.29Å; Y251-V255 HydrophobicContact CD2-CB 4.02Å; Y251-V255 HydrophobicContact CD2-CG1 3.88Å; Y251-V255 HydrophobicContact CD2-CG2 3.75Å; Y251-V255 HydrophobicContact CE2-CG1 4.14Å; Y251-V255 HydrophobicContact CG-CG2 3.95Å |
| 252 | G | 97.5 | Very high | 97.2 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 14.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S248 | S248-G252 WeakPolarHBondContact O-CA 3.12Å; S248-G252 PolarHBondContact O-N 2.95Å |
| 253 | K | 97.2 | Very high | 96.9 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -152.1 | 160.1 | 177.7 | 70.8 | -178.7 | -166.5 | 178.4 | 0 | 109.6 | P86 K87 S248 Y251 V255 | P86-K253 WeakPolarHBondContact O-CE 3.25Å; P86-K253 PolarHBondContact O-NZ 3.4Å; K87-K253 PolarHBondContact O-NZ 3.48Å; S248-K253 WeakPolarHBondContact CA-O 3.41Å; S248-K253 VanDerWaalsContact CB-O 3.24Å; S248-K253 WeakPolarHBondContact CB-O 3.32Å; S248-K253 PolarHBondContact O-N 2.94Å; S248-K253 PolarHBondContact OG-O 2.97Å; Y251-K253 PolarHBondContact O-N 3.29Å; K253-V255 HydrophobicContact CG-CG2 3.83Å; K253-V255 PolarHBondContact O-N 3.29Å |
| 254 | T | 97.9 | Very high | 96.5 | Very high | 123 Ų | 123 | 44.3 Ų | 44.3 | 76% | 0.755 | 25% | 0.248 | S | C | * | . | trans | -61 | 120.5 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | S248 | S248-T254 WeakPolarHBondContact OG-CA 3.45Š| ||
| 255 | V | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | trans | -129.3 | 131.5 | -179.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | A89 D247 S248 Y251 K253 A257 | A89-V255 HydrophobicContact CB-CG1 4.07Å; A89-V255 HydrophobicContact CB-CG2 3.86Å; D247-V255 HydrophobicContact CB-CB 4.26Å; D247-V255 HydrophobicContact CB-CG1 4.14Å; S248-V255 PolarHBondContact OG-N 3.47Å; Y251-V255 HydrophobicContact CD2-CB 4.02Å; Y251-V255 HydrophobicContact CD2-CG1 3.88Å; Y251-V255 HydrophobicContact CD2-CG2 3.75Å; Y251-V255 HydrophobicContact CE2-CG1 4.14Å; Y251-V255 HydrophobicContact CG-CG2 3.95Å; K253-V255 HydrophobicContact CG-CG2 3.83Å; K253-V255 PolarHBondContact O-N 3.29Å; V255-A257 HydrophobicContact CG1-CB 4.32Å | ||
| 256 | V | 97.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | trans | -116.1 | 85.7 | 165.1 | -174.8 | 0 | 0 | 0 | 0 | 106.8 | L240 V244 P258 L259 N260 | L240-V256 HydrophobicContact CD2-CG1 4.45Å; V244-V256 HydrophobicContact CG2-CG2 4.02Å; V256-P258 HydrophobicContact CG1-CG 4.18Å; V256-L259 HydrophobicContact CB-CB 4Å; V256-L259 HydrophobicContact CG1-CB 3.77Å; V256-L259 WeakPolarHBondContact O-CB 3.33Å; V256-L259 PolarHBondContact O-N 3.48Å; V256-N260 PolarHBondContact O-N 2.72Å; V256-N260 VanDerWaalsContact O-N 3.07Å | ||
| 257 | A | 95.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50 | -47.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | V255 L259 N260 I261 | V255-A257 HydrophobicContact CG1-CB 4.32Å; A257-L259 VanDerWaalsContact C-N 3.26Å; A257-L259 PolarHBondContact O-N 3.44Å; A257-N260 PolarHBondContact O-N 2.84Å; A257-N260 VanDerWaalsContact O-N 3.14Å; A257-I261 WeakPolarHBondContact O-CG1 3.33Å; A257-I261 PolarHBondContact O-N 3.25Å |
| 258 | P | 95.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -31.5 | 178.5 | 22.8 | -34.2 | 0 | 0 | 0 | 113.2 | L202 P206 M243 V256 V262 | L202-P258 HydrophobicContact CD2-CG 4.45Å; P206-P258 HydrophobicContact CB-CB 4.23Å; P206-P258 HydrophobicContact CG-CB 4.39Å; M243-P258 HydrophobicContact CE-CG 4.26Å; V256-P258 HydrophobicContact CG1-CG 4.18Å; P258-V262 WeakPolarHBondContact O-CG2 3.06Å; P258-V262 PolarHBondContact O-N 2.7Å; P258-V262 VanDerWaalsContact O-N 3.15Å |
| 259 | L | 96.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.3 | -45.7 | 174 | 177.8 | 61.9 | 0 | 0 | 0 | 110.5 | V256 A257 I261 V262 L263 | V256-L259 HydrophobicContact CB-CB 4Å; V256-L259 HydrophobicContact CG1-CB 3.77Å; V256-L259 WeakPolarHBondContact O-CB 3.33Å; V256-L259 PolarHBondContact O-N 3.48Å; A257-L259 VanDerWaalsContact C-N 3.26Å; A257-L259 PolarHBondContact O-N 3.44Å; L259-I261 VanDerWaalsContact C-N 3.31Å; L259-I261 PolarHBondContact O-N 2.96Å; L259-V262 PolarHBondContact O-N 2.95Å; L259-V262 VanDerWaalsContact O-N 3.14Å; L259-L263 HydrophobicContact CD1-CD1 4.18Å; L259-L263 HydrophobicContact CD1-CG 4.13Å; L259-L263 HydrophobicContact CG-CD1 3.94Å; L259-L263 HydrophobicContact CG-CG 4.33Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.17Å |
| 260 | N | 95.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.9 | -67.3 | -7.8 | 0 | 0 | 0 | 111.8 | A89 I90 V256 A257 L263 Y264 | A89-N260 PolarHBondContact O-ND2 3.35Å; I90-N260 HydrophobicContact CG2-CB 4.12Å; V256-N260 PolarHBondContact O-N 2.72Å; V256-N260 VanDerWaalsContact O-N 3.07Å; A257-N260 PolarHBondContact O-N 2.84Å; A257-N260 VanDerWaalsContact O-N 3.14Å; N260-L263 PolarHBondContact O-N 2.89Å; N260-Y264 VanDerWaalsContact O-CB 3.3Å; N260-Y264 WeakPolarHBondContact O-CB 3.12Å; N260-Y264 PolarHBondContact O-N 3.44Å |
| 261 | I | 93.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.6 | -65.6 | 169.9 | 0 | 0 | 0 | 111.2 | I90 P206 F207 A257 L259 Y264 N265 | I90-I261 HydrophobicContact CB-CG1 4.03Å; I90-I261 WeakPolarHBondContact O-CD1 3.4Å; I90-I261 WeakPolarHBondContact O-CG1 3.22Å; P206-I261 HydrophobicContact CG-CB 4.24Å; P206-I261 HydrophobicContact CG-CG2 3.95Å; F207-I261 HydrophobicContact CE2-CG2 4.11Å; A257-I261 WeakPolarHBondContact O-CG1 3.33Å; A257-I261 PolarHBondContact O-N 3.25Å; L259-I261 VanDerWaalsContact C-N 3.31Å; L259-I261 PolarHBondContact O-N 2.96Å; I261-Y264 PolarHBondContact O-N 3.43Å; I261-N265 WeakPolarHBondContact CG2-ND2 3.23Å; I261-N265 WeakPolarHBondContact O-CB 3.48Å; I261-N265 PolarHBondContact O-N 2.94Å; I261-N265 PolarHBondContact O-ND2 2.8Å |
| 262 | V | 93.8 | Very high | 90.4 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 24% | 0.242 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | -179.9 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | P206 P258 L259 Y264 N265 V266 F267 | P206-V262 HydrophobicContact CB-CG2 3.7Å; P206-V262 HydrophobicContact CG-CG2 3.79Å; P258-V262 WeakPolarHBondContact O-CG2 3.06Å; P258-V262 PolarHBondContact O-N 2.7Å; P258-V262 VanDerWaalsContact O-N 3.15Å; L259-V262 PolarHBondContact O-N 2.95Å; L259-V262 VanDerWaalsContact O-N 3.14Å; V262-Y264 VanDerWaalsContact C-N 3.3Å; V262-Y264 PolarHBondContact O-N 3.16Å; V262-N265 PolarHBondContact O-N 3.44Å; V262-V266 HydrophobicContact CG1-CG2 4.26Å; V262-V266 VanDerWaalsContact O-CB 3.24Å; V262-V266 WeakPolarHBondContact O-CB 3.5Å; V262-V266 WeakPolarHBondContact O-CG2 3.31Å; V262-V266 PolarHBondContact O-N 3.03Å; V262-F267 HydrophobicContact CG1-CE2 4.18Å |
| 263 | L | 92.4 | Very high | 89.9 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -57.7 | -45.3 | 175.7 | -68.9 | 174.3 | 0 | 0 | 0 | 111.1 | L259 N260 F267 N268 | L259-L263 HydrophobicContact CD1-CD1 4.18Å; L259-L263 HydrophobicContact CD1-CG 4.13Å; L259-L263 HydrophobicContact CG-CD1 3.94Å; L259-L263 HydrophobicContact CG-CG 4.33Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.17Å; N260-L263 PolarHBondContact O-N 2.89Å; L263-F267 HydrophobicContact CD2-CD2 4.1Å; L263-F267 WeakPolarHBondContact O-CB 3.5Å; L263-F267 PolarHBondContact O-N 3.08Å; L263-F267 VanDerWaalsContact O-N 3.12Å; L263-N268 PolarHBondContact O-N 3.39Å |
| 264 | Y | 88.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -65.9 | -50.1 | 179.4 | -179.6 | -92.7 | 0 | 0 | 0 | 113 | W82 I90 N260 I261 V262 N268 | W82-Y264 HydrophobicContact CH2-CD1 4.43Å; W82-Y264 HydrophobicContact CH2-CD2 4.05Å; W82-Y264 AromaticContact CH2-CE1 3.83Å; W82-Y264 HydrophobicContact CH2-CE1 3.83Å; W82-Y264 AromaticContact CH2-CE2 3.4Å; W82-Y264 HydrophobicContact CH2-CE2 3.4Å; W82-Y264 VanDerWaalsContact CH2-CE2 3.4Å; W82-Y264 AromaticContact CH2-CZ 3.27Å; W82-Y264 WeakPolarHBondContact CH2-OH 3.49Å; W82-Y264 HydrophobicContact CZ2-CE1 4.28Å; W82-Y264 HydrophobicContact CZ2-CE2 4.33Å; W82-Y264 AromaticContact CZ2-CZ 3.81Å; W82-Y264 WeakPolarHBondContact CZ2-OH 3.33Å; W82-Y264 HydrophobicContact CZ3-CD2 4.44Å; W82-Y264 AromaticContact CZ3-CE2 3.95Å; W82-Y264 HydrophobicContact CZ3-CE2 3.95Å; I90-Y264 HydrophobicContact CD1-CD1 4.49Å; N260-Y264 VanDerWaalsContact O-CB 3.3Å; N260-Y264 WeakPolarHBondContact O-CB 3.12Å; N260-Y264 PolarHBondContact O-N 3.44Å; I261-Y264 PolarHBondContact O-N 3.43Å; V262-Y264 VanDerWaalsContact C-N 3.3Å; V262-Y264 PolarHBondContact O-N 3.16Å; Y264-N268 WeakPolarHBondContact CA-ND2 3.44Å; Y264-N268 WeakPolarHBondContact CD2-ND2 3.45Å; Y264-N268 VanDerWaalsContact O-CB 3.29Å; Y264-N268 WeakPolarHBondContact O-CB 3.38Å |
| 265 | N | 88.5 | Confident | 88.5 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -80.4 | -27.6 | -172.1 | -77.7 | -34 | 0 | 0 | 0 | 114.1 | F207 I261 V262 | F207-N265 HydrophobicContact CZ-CB 3.94Å; I261-N265 WeakPolarHBondContact CG2-ND2 3.23Å; I261-N265 WeakPolarHBondContact O-CB 3.48Å; I261-N265 PolarHBondContact O-N 2.94Å; I261-N265 PolarHBondContact O-ND2 2.8Å; V262-N265 PolarHBondContact O-N 3.44Å |
| 266 | V | 87.6 | Confident | 88.1 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -103.9 | -34.8 | -172.5 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | F207 V262 | F207-V266 HydrophobicContact CE1-CG2 3.89Å; F207-V266 HydrophobicContact CZ-CG2 4.29Å; V262-V266 HydrophobicContact CG1-CG2 4.26Å; V262-V266 VanDerWaalsContact O-CB 3.24Å; V262-V266 WeakPolarHBondContact O-CB 3.5Å; V262-V266 WeakPolarHBondContact O-CG2 3.31Å; V262-V266 PolarHBondContact O-N 3.03Å |
| 267 | F | 87.3 | Confident | 87.9 | Confident | 148 Ų | 148 | 62 Ų | 62 | 65% | 0.649 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -112.8 | -8.4 | -169 | -62.5 | -79.7 | 0 | 0 | 0 | 114.5 | V262 L263 | V262-F267 HydrophobicContact CG1-CE2 4.18Å; L263-F267 HydrophobicContact CD2-CD2 4.1Å; L263-F267 WeakPolarHBondContact O-CB 3.5Å; L263-F267 PolarHBondContact O-N 3.08Å; L263-F267 VanDerWaalsContact O-N 3.12Å |
| 268 | N | 82.3 | Confident | 87.8 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -80.8 | 150 | 173.3 | -76.1 | -18.1 | 0 | 0 | 0 | 112.8 | L263 Y264 Y270 | L263-N268 PolarHBondContact O-N 3.39Å; Y264-N268 WeakPolarHBondContact CA-ND2 3.44Å; Y264-N268 WeakPolarHBondContact CD2-ND2 3.45Å; Y264-N268 VanDerWaalsContact O-CB 3.29Å; Y264-N268 WeakPolarHBondContact O-CB 3.38Å; N268-Y270 PolarHBondContact O-N 3.01Å |
| 269 | A | 76.4 | Confident | 87.7 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 84% | 0.835 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -64.5 | -35 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 270 | Y | 76.9 | Confident | 87.5 | Confident | 156 Ų | 156 | 70.1 Ų | 70.1 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -92 | -34.4 | -179.3 | -51.1 | -72.9 | 0 | 0 | 0 | 112.5 | N268 M488 | N268-Y270 PolarHBondContact O-N 3.01Å; Y270-M488 HydrophobicContact CD1-CE 4.1Å; Y270-M488 HydrophobicContact CD2-CE 3.84Å; Y270-M488 HydrophobicContact CD2-SD 3.77Å; Y270-M488 HydrophobicContact CE1-CE 4.05Å; Y270-M488 HydrophobicContact CE2-CE 3.79Å; Y270-M488 HydrophobicContact CE2-SD 3.87Å; Y270-M488 HydrophobicContact CG-CE 4Å; Y270-M488 HydrophobicContact CG-SD 4.39Å |
| 271 | G | 77.7 | Confident | 87.5 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | 55.4 | -158.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E273 | G271-E273 PolarHBondContact O-N 3.23Š|
| 272 | P | 82.7 | Confident | 87.6 | Confident | 31 Ų | 31 | 72 Ų | 72 | 20% | 0.201 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -74.2 | -5.3 | -179.7 | 31.5 | -36.4 | 0 | 0 | 0 | 113.8 | L274 Y275 H342 | P272-L274 PolarHBondContact O-N 2.92Å; P272-Y275 PolarHBondContact O-N 3.27Å; P272-H342 HydrophobicContact CB-CB 4.05Å; P272-H342 HydrophobicContact CG-CB 4.21Å; P272-H342 VanDerWaalsContact O-CG 3.29Å; P272-H342 PolarHBondContact O-ND1 2.93Å |
| 273 | E | 85.5 | Confident | 87.8 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -65.4 | -20.5 | -177.5 | -59.2 | -171.7 | 179 | 0 | 0 | 112.9 | G271 Y275 G276 V277 K341 | G271-E273 PolarHBondContact O-N 3.23Å; E273-Y275 PolarHBondContact O-N 3.41Å; E273-G276 PolarHBondContact O-N 2.84Å; E273-G276 VanDerWaalsContact O-N 3.08Å; E273-V277 HydrophobicContact CB-CG2 4.22Å; E273-V277 HydrophobicContact CG-CG2 4.46Å; E273-K341 HydrophobicContact CG-CB 4.26Å; E273-K341 VanDerWaalsContact OE1-CD 3.25Å; E273-K341 WeakPolarHBondContact OE1-CD 3.34Å; E273-K341 WeakPolarHBondContact OE1-CE 3.23Å; E273-K341 IonicContact OE1-NZ 3.97Å; E273-K341 PolarHBondContact OE1-NZ 3.19Å; E273-K341 IonicContact OE2-NZ 3.78Å; E273-K341 PolarHBondContact OE2-NZ 2.98Å |
| 274 | L | 83 | Confident | 88 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 29% | 0.293 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -57 | -28.5 | 175.6 | -176 | 70.1 | 0 | 0 | 0 | 113.7 | P272 G276 M488 N489 | P272-L274 PolarHBondContact O-N 2.92Å; L274-G276 VanDerWaalsContact C-N 3.29Å; L274-M488 VanDerWaalsContact CD2-C 3.44Å; L274-N489 HydrophobicContact CD2-CB 3.85Å; L274-N489 HydrophobicContact CG-CB 4.06Å |
| 275 | Y | 84.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 34% | 0.337 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -91.5 | 9.9 | -178.6 | -59.2 | -75 | 0 | 0 | 0 | 113.1 | W82 P272 E273 N489 | W82-Y275 VanDerWaalsContact CE2-OH 3.32Å; W82-Y275 VanDerWaalsContact CZ2-OH 3.25Å; W82-Y275 WeakPolarHBondContact CZ2-OH 3.34Å; W82-Y275 PolarHBondContact NE1-OH 2.64Å; P272-Y275 PolarHBondContact O-N 3.27Å; E273-Y275 PolarHBondContact O-N 3.41Å; Y275-N489 HydrophobicContact CD1-CB 4.46Å; Y275-N489 HydrophobicContact CE1-CB 3.89Å |
| 276 | G | 88.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 73 Ų | 73 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | trans | 108.7 | 156.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | E273 L274 H342 | E273-G276 PolarHBondContact O-N 2.84Å; E273-G276 VanDerWaalsContact O-N 3.08Å; L274-G276 VanDerWaalsContact C-N 3.29Å; G276-H342 PolarHBondContact O-ND1 3.47Å | ||
| 277 | V | 92.4 | Very high | 89.1 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -120.7 | 135.5 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | E273 K341 | E273-V277 HydrophobicContact CB-CG2 4.22Å; E273-V277 HydrophobicContact CG-CG2 4.46Å; V277-K341 HydrophobicContact CG1-CB 3.87Å; V277-K341 HydrophobicContact CG2-CB 4.02Å | ||
| 278 | E | 93.8 | Very high | 89.6 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | trans | -116 | 147.3 | -178 | -82.9 | -65.4 | 169.9 | 0 | 0 | 111.5 | F282 K341 K343 | E278-F282 HydrophobicContact CB-CB 4.03Å; E278-F282 HydrophobicContact CB-CD2 4.17Å; E278-F282 HydrophobicContact CB-CG 4.03Å; E278-F282 HydrophobicContact CG-CD2 3.85Å; E278-F282 HydrophobicContact CG-CE2 4.2Å; E278-F282 HydrophobicContact CG-CG 4.2Å; E278-K341 PolarHBondContact N-O 3.13Å; E278-K341 VanDerWaalsContact N-O 3.12Å; E278-K343 HydrophobicContact CB-CB 3.93Å; E278-K343 HydrophobicContact CB-CD 4.07Å; E278-K343 HydrophobicContact CB-CG 4.22Å; E278-K343 PolarHBondContact O-NZ 3.36Å | ||
| 279 | S | 94.4 | Very high | 90.2 | Very high | 61 Ų | 61 | 64.2 Ų | 64.2 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | trans | -62 | 156.8 | 178.8 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | S281 F282 K343 | S279-S281 PolarHBondContact O-N 3.49Å; S279-S281 VanDerWaalsContact O-N 3.12Å; S279-S281 PolarHBondContact OG-OG 2.89Å; S279-F282 WeakPolarHBondContact O-CB 3.39Å; S279-F282 PolarHBondContact O-N 3.28Å; S279-K343 WeakPolarHBondContact O-CE 3.14Å | ||
| 280 | F | 92.4 | Very high | 91.1 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 55% | 0.553 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.1 | 173.8 | -176.9 | -101.2 | 0 | 0 | 0 | 112.9 | F282 F284 F338 | F280-F282 PolarHBondContact O-N 3.48Å; F280-F284 HydrophobicContact CD1-CD2 4.41Å; F280-F284 HydrophobicContact CD1-CE2 4.12Å; F280-F284 HydrophobicContact CE1-CD2 4.13Å; F280-F284 AromaticContact CE1-CE2 3.41Å; F280-F284 HydrophobicContact CE1-CE2 3.41Å; F280-F284 VanDerWaalsContact CE1-CE2 3.41Å; F280-F284 HydrophobicContact CE1-CZ 4.34Å; F280-F284 AromaticContact CZ-CE2 3.83Å; F280-F284 HydrophobicContact CZ-CE2 3.83Å; F280-F338 HydrophobicContact CD2-CB 4.39Å; F280-F338 WeakPolarHBondContact CD2-O 3.25Å; F280-F338 HydrophobicContact CE2-CB 3.79Å; F280-F338 HydrophobicContact CE2-CD1 4.04Å; F280-F338 HydrophobicContact CE2-CG 4.46Å; F280-F338 HydrophobicContact CZ-CD1 4.1Å |
| 281 | S | 94.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 52 Ų | 52 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.8 | -16.9 | 179 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | S279 Y283 F284 K285 | S279-S281 PolarHBondContact O-N 3.49Å; S279-S281 VanDerWaalsContact O-N 3.12Å; S279-S281 PolarHBondContact OG-OG 2.89Å; S281-Y283 PolarHBondContact O-N 3.06Å; S281-F284 PolarHBondContact O-N 2.65Å; S281-K285 WeakPolarHBondContact O-CG 3.41Å; S281-K285 PolarHBondContact O-N 2.78Å; S281-K285 WeakPolarHBondContact OG-CE 3.29Å; S281-K285 PolarHBondContact OG-NZ 3.27Å |
| 282 | F | 96.1 | Very high | 93 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.1 | -53 | -175.9 | 176.4 | -92.8 | 0 | 0 | 0 | 112.1 | E278 S279 F280 F284 K285 N286 K343 | E278-F282 HydrophobicContact CB-CB 4.03Å; E278-F282 HydrophobicContact CB-CD2 4.17Å; E278-F282 HydrophobicContact CB-CG 4.03Å; E278-F282 HydrophobicContact CG-CD2 3.85Å; E278-F282 HydrophobicContact CG-CE2 4.2Å; E278-F282 HydrophobicContact CG-CG 4.2Å; S279-F282 WeakPolarHBondContact O-CB 3.39Å; S279-F282 PolarHBondContact O-N 3.28Å; F280-F282 PolarHBondContact O-N 3.48Å; F282-F284 PolarHBondContact O-N 2.88Å; F282-K285 PolarHBondContact O-N 3.45Å; F282-N286 WeakPolarHBondContact O-CB 3.35Å; F282-N286 PolarHBondContact O-N 3.28Å; F282-K343 HydrophobicContact CB-CD 4Å; F282-K343 HydrophobicContact CD1-CB 3.67Å; F282-K343 HydrophobicContact CD1-CD 4.06Å; F282-K343 HydrophobicContact CE1-CB 3.98Å; F282-K343 HydrophobicContact CG-CB 4.4Å; F282-K343 HydrophobicContact CG-CD 4.38Å |
| 283 | Y | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.1 | -31.6 | -179 | -70.8 | -38.3 | 0 | 0 | 0 | 113.5 | S281 N286 L287 F337 F338 K343 E344 F347 L348 | S281-Y283 PolarHBondContact O-N 3.06Å; Y283-N286 PolarHBondContact O-N 3.16Å; Y283-L287 WeakPolarHBondContact O-CB 3.22Å; Y283-L287 VanDerWaalsContact O-CG 3.25Å; Y283-L287 WeakPolarHBondContact O-CG 3.49Å; Y283-L287 PolarHBondContact O-N 3.48Å; Y283-F337 HydrophobicContact CE2-CB 4.32Å; Y283-F337 WeakPolarHBondContact CE2-O 3.49Å; Y283-F338 HydrophobicContact CD2-CB 4.48Å; Y283-F338 HydrophobicContact CD2-CD1 4.34Å; Y283-F338 AromaticContact CD2-CD2 3.61Å; Y283-F338 HydrophobicContact CD2-CD2 3.61Å; Y283-F338 HydrophobicContact CD2-CE1 4.5Å; Y283-F338 AromaticContact CD2-CE2 3.79Å; Y283-F338 HydrophobicContact CD2-CE2 3.79Å; Y283-F338 AromaticContact CD2-CG 3.9Å; Y283-F338 HydrophobicContact CD2-CG 3.9Å; Y283-F338 HydrophobicContact CD2-CZ 4.23Å; Y283-F338 HydrophobicContact CE2-CD2 4.33Å; Y283-F338 HydrophobicContact CG-CD2 4.33Å; Y283-F338 HydrophobicContact CG-CE2 4.05Å; Y283-F338 HydrophobicContact CG-CZ 4.18Å; Y283-K343 HydrophobicContact CD2-CD 3.86Å; Y283-K343 HydrophobicContact CD2-CG 4.32Å; Y283-K343 HydrophobicContact CE1-CB 3.83Å; Y283-K343 HydrophobicContact CE1-CG 4.35Å; Y283-K343 HydrophobicContact CE2-CB 4.05Å; Y283-K343 HydrophobicContact CE2-CD 3.73Å; Y283-K343 HydrophobicContact CE2-CG 3.67Å; Y283-K343 HydrophobicContact CG-CD 4.3Å; Y283-K343 WeakPolarHBondContact OH-CA 3.25Å; Y283-E344 WeakPolarHBondContact CE1-O 3.5Å; Y283-F347 WeakPolarHBondContact OH-CD2 3.44Å; Y283-L348 HydrophobicContact CD1-CD1 3.46Å; Y283-L348 VanDerWaalsContact CD1-CD1 3.46Å; Y283-L348 HydrophobicContact CD1-CD2 3.7Å; Y283-L348 HydrophobicContact CD1-CG 3.72Å; Y283-L348 HydrophobicContact CD2-CD2 4.28Å; Y283-L348 HydrophobicContact CE1-CD1 3.97Å; Y283-L348 HydrophobicContact CE1-CD2 3.84Å; Y283-L348 HydrophobicContact CE1-CG 3.76Å; Y283-L348 HydrophobicContact CE2-CD2 4.42Å; Y283-L348 HydrophobicContact CG-CD1 4.18Å; Y283-L348 HydrophobicContact CG-CD2 3.92Å; Y283-L348 HydrophobicContact CG-CG 4.42Å |
| 284 | F | 96.7 | Very high | 94.2 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 30% | 0.303 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 172.3 | -79.7 | -84.5 | 0 | 0 | 0 | 111.1 | F280 S281 F282 L288 F295 L299 F338 | F280-F284 HydrophobicContact CD1-CD2 4.41Å; F280-F284 HydrophobicContact CD1-CE2 4.12Å; F280-F284 HydrophobicContact CE1-CD2 4.13Å; F280-F284 AromaticContact CE1-CE2 3.41Å; F280-F284 HydrophobicContact CE1-CE2 3.41Å; F280-F284 VanDerWaalsContact CE1-CE2 3.41Å; F280-F284 HydrophobicContact CE1-CZ 4.34Å; F280-F284 AromaticContact CZ-CE2 3.83Å; F280-F284 HydrophobicContact CZ-CE2 3.83Å; S281-F284 PolarHBondContact O-N 2.65Å; F282-F284 PolarHBondContact O-N 2.88Å; F284-L288 WeakPolarHBondContact O-CB 3.49Å; F284-L288 WeakPolarHBondContact O-CD1 3.47Å; F284-L288 WeakPolarHBondContact O-CG 3.12Å; F284-L288 PolarHBondContact O-N 3.33Å; F284-F295 AromaticContact CD1-CE1 3.64Å; F284-F295 HydrophobicContact CD1-CE1 3.64Å; F284-F295 AromaticContact CD1-CZ 3.7Å; F284-F295 HydrophobicContact CD1-CZ 3.7Å; F284-F295 HydrophobicContact CE1-CE1 4.17Å; F284-F295 AromaticContact CE1-CZ 3.85Å; F284-F295 HydrophobicContact CE1-CZ 3.85Å; F284-L299 HydrophobicContact CE1-CD1 4.39Å; F284-F338 HydrophobicContact CD2-CD1 4.29Å; F284-F338 AromaticContact CD2-CE1 3.76Å; F284-F338 HydrophobicContact CD2-CE1 3.76Å; F284-F338 AromaticContact CE2-CD1 3.82Å; F284-F338 HydrophobicContact CE2-CD1 3.82Å; F284-F338 AromaticContact CE2-CE1 3.52Å; F284-F338 HydrophobicContact CE2-CE1 3.52Å; F284-F338 HydrophobicContact CG-CE1 4.42Å; F284-F338 HydrophobicContact CZ-CD1 4.49Å; F284-F338 HydrophobicContact CZ-CE1 4.02Å |
| 285 | K | 95 | Very high | 94.9 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.1 | -45.4 | 176.7 | -68.6 | 171.4 | -176.7 | 169.2 | 0 | 111 | S281 F282 L288 L289 | S281-K285 WeakPolarHBondContact O-CG 3.41Å; S281-K285 PolarHBondContact O-N 2.78Å; S281-K285 WeakPolarHBondContact OG-CE 3.29Å; S281-K285 PolarHBondContact OG-NZ 3.27Å; F282-K285 PolarHBondContact O-N 3.45Å; K285-L288 PolarHBondContact O-N 3.04Å; K285-L289 VanDerWaalsContact O-CG 3.3Å; K285-L289 WeakPolarHBondContact O-CG 3.48Å; K285-L289 PolarHBondContact O-N 2.98Å |
| 286 | N | 95.7 | Very high | 95.6 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -51.5 | 178.5 | -173 | -84.7 | 0 | 0 | 0 | 111.9 | F282 Y283 L288 L289 N290 E345 L348 | F282-N286 WeakPolarHBondContact O-CB 3.35Å; F282-N286 PolarHBondContact O-N 3.28Å; Y283-N286 PolarHBondContact O-N 3.16Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 2.8Å; N286-L289 PolarHBondContact O-N 3.08Å; N286-L289 VanDerWaalsContact O-N 3.11Å; N286-N290 WeakPolarHBondContact O-CB 3.3Å; N286-N290 PolarHBondContact O-N 3.16Å; N286-N290 PolarHBondContact OD1-ND2 3.21Å; N286-E345 WeakPolarHBondContact ND2-CG 3.37Å; N286-E345 PolarHBondContact ND2-OE2 2.94Å; N286-L348 HydrophobicContact CB-CD1 4.26Å; N286-L348 WeakPolarHBondContact OD1-CD1 3.23Å |
| 287 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -34.5 | -179.5 | -68.5 | 172.6 | 0 | 0 | 0 | 112.6 | Y283 L289 N290 W291 F295 F338 L348 M351 Y352 L355 | Y283-L287 WeakPolarHBondContact O-CB 3.22Å; Y283-L287 VanDerWaalsContact O-CG 3.25Å; Y283-L287 WeakPolarHBondContact O-CG 3.49Å; Y283-L287 PolarHBondContact O-N 3.48Å; L287-L289 VanDerWaalsContact C-N 3.33Å; L287-N290 PolarHBondContact O-N 3.45Å; L287-W291 WeakPolarHBondContact O-CA 3.38Å; L287-W291 WeakPolarHBondContact O-CB 3.45Å; L287-W291 PolarHBondContact O-N 3.29Å; L287-F295 HydrophobicContact CB-CB 4.26Å; L287-F295 HydrophobicContact CB-CD1 3.73Å; L287-F295 HydrophobicContact CB-CD2 3.82Å; L287-F295 HydrophobicContact CB-CE1 3.91Å; L287-F295 HydrophobicContact CB-CE2 4.02Å; L287-F295 HydrophobicContact CB-CG 3.67Å; L287-F295 HydrophobicContact CB-CZ 4.05Å; L287-F295 HydrophobicContact CD1-CD2 3.8Å; L287-F295 HydrophobicContact CD1-CE1 4.41Å; L287-F295 HydrophobicContact CD1-CE2 3.36Å; L287-F295 HydrophobicContact CD1-CG 4.49Å; L287-F295 HydrophobicContact CD1-CZ 3.71Å; L287-F295 HydrophobicContact CG-CD2 4.36Å; L287-F295 HydrophobicContact CG-CE2 4.31Å; L287-F338 HydrophobicContact CD1-CE2 4.37Å; L287-F338 HydrophobicContact CD1-CZ 3.79Å; L287-L348 HydrophobicContact CD2-CD1 3.84Å; L287-L348 HydrophobicContact CG-CD1 3.91Å; L287-M351 HydrophobicContact CD1-CE 3.94Å; L287-M351 HydrophobicContact CD2-CE 3.91Å; L287-Y352 HydrophobicContact CD2-CE1 4.07Å; L287-L355 HydrophobicContact CD2-CD1 3.81Å |
| 288 | L | 96.9 | Very high | 96.3 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 42% | 0.424 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.7 | -34.7 | 172.6 | -74.8 | 168.9 | 0 | 0 | 0 | 112.5 | F284 K285 N286 N292 F295 P296 | F284-L288 WeakPolarHBondContact O-CB 3.49Å; F284-L288 WeakPolarHBondContact O-CD1 3.47Å; F284-L288 WeakPolarHBondContact O-CG 3.12Å; F284-L288 PolarHBondContact O-N 3.33Å; K285-L288 PolarHBondContact O-N 3.04Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 2.8Å; L288-N292 WeakPolarHBondContact O-CA 3.38Å; L288-N292 PolarHBondContact O-N 2.67Å; L288-F295 HydrophobicContact CD2-CD1 3.95Å; L288-F295 HydrophobicContact CG-CD1 3.97Å; L288-F295 HydrophobicContact CG-CE1 4.36Å; L288-P296 HydrophobicContact CD2-CG 4.02Å |
| 289 | L | 95 | Very high | 96.5 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.5 | -40.6 | 175.8 | -69.6 | 169.1 | 0 | 0 | 0 | 111.9 | K285 N286 L287 S548 F549 | K285-L289 VanDerWaalsContact O-CG 3.3Å; K285-L289 WeakPolarHBondContact O-CG 3.48Å; K285-L289 PolarHBondContact O-N 2.98Å; N286-L289 PolarHBondContact O-N 3.08Å; N286-L289 VanDerWaalsContact O-N 3.11Å; L287-L289 VanDerWaalsContact C-N 3.33Å; L289-S548 WeakPolarHBondContact CD2-OG 3.49Å; L289-F549 HydrophobicContact CD2-CZ 4.3Å |
| 290 | N | 96.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -85.4 | -30.4 | -173.1 | -75.6 | -18.2 | 0 | 0 | 0 | 114.2 | T159 G160 I163 N286 L287 E345 Y352 | T159-N290 PolarHBondContact N-O 2.9Å; G160-N290 PolarHBondContact N-O 3.44Å; I163-N290 WeakPolarHBondContact CD1-OD1 3.27Å; N286-N290 WeakPolarHBondContact O-CB 3.3Å; N286-N290 PolarHBondContact O-N 3.16Å; N286-N290 PolarHBondContact OD1-ND2 3.21Å; L287-N290 PolarHBondContact O-N 3.45Å; N290-E345 PolarHBondContact ND2-OE1 3.15Å; N290-Y352 PolarHBondContact ND2-OH 3.08Å |
| 291 | W | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -127.6 | 0 | -173.6 | -68.5 | 92.2 | 0 | 0 | 0 | 113.8 | A158 M161 L287 V293 A294 F295 Y352 L355 C356 | A158-W291 HydrophobicContact CB-CE3 4.1Å; A158-W291 HydrophobicContact CB-CH2 3.79Å; A158-W291 HydrophobicContact CB-CZ2 4.29Å; A158-W291 HydrophobicContact CB-CZ3 3.68Å; M161-W291 HydrophobicContact CG-CH2 3.82Å; M161-W291 HydrophobicContact CG-CZ2 3.9Å; M161-W291 HydrophobicContact SD-CH2 4.26Å; M161-W291 HydrophobicContact SD-CZ2 4.07Å; L287-W291 WeakPolarHBondContact O-CA 3.38Å; L287-W291 WeakPolarHBondContact O-CB 3.45Å; L287-W291 PolarHBondContact O-N 3.29Å; W291-V293 PolarHBondContact O-N 3.48Å; W291-A294 HydrophobicContact CB-CB 4.5Å; W291-A294 HydrophobicContact CE3-CB 4.22Å; W291-A294 WeakPolarHBondContact O-CA 3.41Å; W291-A294 VanDerWaalsContact O-CB 3.22Å; W291-A294 WeakPolarHBondContact O-CB 3.34Å; W291-A294 PolarHBondContact O-N 3.45Å; W291-F295 HydrophobicContact CB-CB 3.93Å; W291-F295 PolarHBondContact O-N 3.37Å; W291-Y352 WeakPolarHBondContact CH2-O 3.27Å; W291-Y352 HydrophobicContact CZ2-CD1 4.3Å; W291-Y352 HydrophobicContact CZ2-CD2 4.18Å; W291-Y352 AromaticContact CZ2-CG 3.79Å; W291-Y352 HydrophobicContact CZ2-CG 3.79Å; W291-Y352 WeakPolarHBondContact CZ2-O 3.31Å; W291-Y352 AromaticContact NE1-CD1 3.41Å; W291-Y352 AromaticContact NE1-CE1 3.51Å; W291-Y352 AromaticContact NE1-CG 3.67Å; W291-Y352 AromaticContact NE1-CZ 3.9Å; W291-L355 HydrophobicContact CB-CD1 4.46Å; W291-L355 HydrophobicContact CB-CD2 4.05Å; W291-L355 HydrophobicContact CD2-CD1 4.29Å; W291-L355 HydrophobicContact CD2-CD2 3.55Å; W291-L355 HydrophobicContact CD2-CG 4.47Å; W291-L355 HydrophobicContact CE3-CD2 3.55Å; W291-L355 HydrophobicContact CG-CD1 3.98Å; W291-L355 HydrophobicContact CG-CD2 3.78Å; W291-L355 HydrophobicContact CZ3-CD2 4.23Å; W291-C356 HydrophobicContact CH2-CB 3.79Å; W291-C356 HydrophobicContact CZ3-CB 3.6Å |
| 292 | N | 95.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 38.3 | -121.1 | 174.1 | 64 | 34 | 0 | 0 | 0 | 114.2 | L288 A294 F295 P296 F395 V398 S399 | L288-N292 WeakPolarHBondContact O-CA 3.38Å; L288-N292 PolarHBondContact O-N 2.67Å; N292-A294 VanDerWaalsContact C-N 3.27Å; N292-A294 PolarHBondContact O-N 3.14Å; N292-F295 PolarHBondContact O-N 3Å; N292-P296 WeakPolarHBondContact O-CD 3.49Å; N292-F395 PolarHBondContact ND2-O 3.1Å; N292-F395 WeakPolarHBondContact OD1-CD2 3.39Å; N292-F395 VanDerWaalsContact OD1-CE2 3.3Å; N292-F395 WeakPolarHBondContact OD1-CE2 3.39Å; N292-V398 HydrophobicContact CB-CG1 3.83Å; N292-V398 WeakPolarHBondContact ND2-CB 3.38Å; N292-V398 WeakPolarHBondContact ND2-CG1 3.49Å; N292-S399 PolarHBondContact ND2-N 3.47Å; N292-S399 PolarHBondContact ND2-OG 3.48Å |
| 293 | V | 96 | Very high | 96.8 | Very high | 56 Ų | 56 | 34 Ų | 34 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.5 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | W291 F295 P296 L297 I391 F395 | W291-V293 PolarHBondContact O-N 3.48Å; V293-F295 VanDerWaalsContact C-N 3.31Å; V293-F295 PolarHBondContact O-N 3.25Å; V293-P296 WeakPolarHBondContact O-CD 3.38Å; V293-L297 WeakPolarHBondContact O-CB 3.48Å; V293-L297 WeakPolarHBondContact O-CD1 3.25Å; V293-L297 WeakPolarHBondContact O-CG 3.43Å; V293-L297 PolarHBondContact O-N 3.4Å; V293-I391 HydrophobicContact CG2-CG2 4.22Å; V293-F395 HydrophobicContact CG2-CB 3.71Å; V293-F395 HydrophobicContact CG2-CD2 3.95Å; V293-F395 HydrophobicContact CG2-CG 4.35Å |
| 294 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -30.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | M154 W291 N292 L297 A298 A359 F395 | M154-A294 HydrophobicContact SD-CB 3.74Å; W291-A294 HydrophobicContact CB-CB 4.5Å; W291-A294 HydrophobicContact CE3-CB 4.22Å; W291-A294 WeakPolarHBondContact O-CA 3.41Å; W291-A294 VanDerWaalsContact O-CB 3.22Å; W291-A294 WeakPolarHBondContact O-CB 3.34Å; W291-A294 PolarHBondContact O-N 3.45Å; N292-A294 VanDerWaalsContact C-N 3.27Å; N292-A294 PolarHBondContact O-N 3.14Å; A294-L297 PolarHBondContact O-N 2.89Å; A294-A298 WeakPolarHBondContact O-CB 3.5Å; A294-A298 PolarHBondContact O-N 3.13Å; A294-A359 HydrophobicContact CB-CB 3.89Å; A294-A359 VanDerWaalsContact O-CB 3.3Å; A294-A359 WeakPolarHBondContact O-CB 3.05Å; A294-F395 HydrophobicContact CB-CD2 3.72Å; A294-F395 HydrophobicContact CB-CE2 3.43Å; A294-F395 VanDerWaalsContact CB-CE2 3.43Å; A294-F395 HydrophobicContact CB-CZ 4.45Å |
| 295 | F | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -53 | 178.5 | 168.8 | -122.9 | 0 | 0 | 0 | 113.2 | F284 L287 L288 W291 N292 V293 L297 A298 L299 M334 L355 | F284-F295 AromaticContact CD1-CE1 3.64Å; F284-F295 HydrophobicContact CD1-CE1 3.64Å; F284-F295 AromaticContact CD1-CZ 3.7Å; F284-F295 HydrophobicContact CD1-CZ 3.7Å; F284-F295 HydrophobicContact CE1-CE1 4.17Å; F284-F295 AromaticContact CE1-CZ 3.85Å; F284-F295 HydrophobicContact CE1-CZ 3.85Å; L287-F295 HydrophobicContact CB-CB 4.26Å; L287-F295 HydrophobicContact CB-CD1 3.73Å; L287-F295 HydrophobicContact CB-CD2 3.82Å; L287-F295 HydrophobicContact CB-CE1 3.91Å; L287-F295 HydrophobicContact CB-CE2 4.02Å; L287-F295 HydrophobicContact CB-CG 3.67Å; L287-F295 HydrophobicContact CB-CZ 4.05Å; L287-F295 HydrophobicContact CD1-CD2 3.8Å; L287-F295 HydrophobicContact CD1-CE1 4.41Å; L287-F295 HydrophobicContact CD1-CE2 3.36Å; L287-F295 HydrophobicContact CD1-CG 4.49Å; L287-F295 HydrophobicContact CD1-CZ 3.71Å; L287-F295 HydrophobicContact CG-CD2 4.36Å; L287-F295 HydrophobicContact CG-CE2 4.31Å; L288-F295 HydrophobicContact CD2-CD1 3.95Å; L288-F295 HydrophobicContact CG-CD1 3.97Å; L288-F295 HydrophobicContact CG-CE1 4.36Å; W291-F295 HydrophobicContact CB-CB 3.93Å; W291-F295 PolarHBondContact O-N 3.37Å; N292-F295 PolarHBondContact O-N 3Å; V293-F295 VanDerWaalsContact C-N 3.31Å; V293-F295 PolarHBondContact O-N 3.25Å; F295-L297 VanDerWaalsContact C-N 3.26Å; F295-L297 PolarHBondContact O-N 3.46Å; F295-A298 WeakPolarHBondContact O-CB 3.25Å; F295-A298 PolarHBondContact O-N 3.45Å; F295-L299 HydrophobicContact CD2-CG 4.38Å; F295-L299 HydrophobicContact CE1-CD1 4.25Å; F295-L299 HydrophobicContact CE2-CD1 3.94Å; F295-L299 HydrophobicContact CE2-CD2 3.97Å; F295-L299 HydrophobicContact CE2-CG 3.97Å; F295-L299 HydrophobicContact CZ-CD1 3.79Å; F295-L299 HydrophobicContact CZ-CD2 4.46Å; F295-L299 HydrophobicContact CZ-CG 4.33Å; F295-L299 PolarHBondContact O-N 2.81Å; F295-L299 VanDerWaalsContact O-N 3.14Å; F295-M334 HydrophobicContact CE2-CE 3.85Å; F295-M334 HydrophobicContact CE2-SD 4.44Å; F295-M334 HydrophobicContact CZ-CE 4.14Å; F295-L355 HydrophobicContact CD2-CD1 4.08Å |
| 296 | P | 98.1 | Very high | 96.3 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 36% | 0.357 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.1 | -39.6 | 170.9 | -26.2 | 34.8 | 0 | 0 | 0 | 112.6 | L288 N292 V293 A298 L299 L300 | L288-P296 HydrophobicContact CD2-CG 4.02Å; N292-P296 WeakPolarHBondContact O-CD 3.49Å; V293-P296 WeakPolarHBondContact O-CD 3.38Å; P296-A298 VanDerWaalsContact C-N 3.32Å; P296-A298 PolarHBondContact O-N 3.17Å; P296-L299 PolarHBondContact O-N 2.86Å; P296-L300 WeakPolarHBondContact O-CG 3.25Å; P296-L300 PolarHBondContact O-N 3Å; P296-L300 VanDerWaalsContact O-N 3.13Å |
| 297 | L | 98.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 173.7 | -72.9 | 169.8 | 0 | 0 | 0 | 111.5 | V293 A294 F295 L299 L300 A359 S362 L366 I391 | V293-L297 WeakPolarHBondContact O-CB 3.48Å; V293-L297 WeakPolarHBondContact O-CD1 3.25Å; V293-L297 WeakPolarHBondContact O-CG 3.43Å; V293-L297 PolarHBondContact O-N 3.4Å; A294-L297 PolarHBondContact O-N 2.89Å; F295-L297 VanDerWaalsContact C-N 3.26Å; F295-L297 PolarHBondContact O-N 3.46Å; L297-L299 VanDerWaalsContact C-N 3.29Å; L297-L299 PolarHBondContact O-N 2.87Å; L297-L300 PolarHBondContact O-N 3.49Å; L297-L300 VanDerWaalsContact O-N 3.09Å; L297-A359 HydrophobicContact CB-CB 4.12Å; L297-S362 WeakPolarHBondContact O-CB 3.08Å; L297-S362 PolarHBondContact O-OG 3.15Å; L297-L366 HydrophobicContact CD2-CD1 3.7Å; L297-I391 HydrophobicContact CD1-CG2 3.79Å |
| 298 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A294 F295 P296 L300 C301 M330 L355 N358 A359 | A294-A298 WeakPolarHBondContact O-CB 3.5Å; A294-A298 PolarHBondContact O-N 3.13Å; F295-A298 WeakPolarHBondContact O-CB 3.25Å; F295-A298 PolarHBondContact O-N 3.45Å; P296-A298 VanDerWaalsContact C-N 3.32Å; P296-A298 PolarHBondContact O-N 3.17Å; A298-L300 VanDerWaalsContact C-N 3.31Å; A298-L300 PolarHBondContact O-N 3.36Å; A298-C301 WeakPolarHBondContact O-CB 3.48Å; A298-C301 PolarHBondContact O-N 2.81Å; A298-M330 HydrophobicContact CB-CE 4.18Å; A298-M330 HydrophobicContact CB-SD 3.69Å; A298-L355 HydrophobicContact CB-CD2 3.98Å; A298-L355 HydrophobicContact CB-CG 3.85Å; A298-L355 WeakPolarHBondContact CB-O 3.42Å; A298-N358 HydrophobicContact CB-CB 3.93Å; A298-A359 HydrophobicContact CB-CB 4.24Å |
| 299 | L | 98 | Very high | 95.2 | Very high | 41 Ų | 41 | 40 Ų | 40 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -29.6 | 175.2 | -60.1 | 177.7 | 0 | 0 | 0 | 113.1 | F284 F295 P296 L297 C301 P303 M330 W331 M334 | F284-L299 HydrophobicContact CE1-CD1 4.39Å; F295-L299 HydrophobicContact CD2-CG 4.38Å; F295-L299 HydrophobicContact CE1-CD1 4.25Å; F295-L299 HydrophobicContact CE2-CD1 3.94Å; F295-L299 HydrophobicContact CE2-CD2 3.97Å; F295-L299 HydrophobicContact CE2-CG 3.97Å; F295-L299 HydrophobicContact CZ-CD1 3.79Å; F295-L299 HydrophobicContact CZ-CD2 4.46Å; F295-L299 HydrophobicContact CZ-CG 4.33Å; F295-L299 PolarHBondContact O-N 2.81Å; F295-L299 VanDerWaalsContact O-N 3.14Å; P296-L299 PolarHBondContact O-N 2.86Å; L297-L299 VanDerWaalsContact C-N 3.29Å; L297-L299 PolarHBondContact O-N 2.87Å; L299-C301 PolarHBondContact O-N 3.14Å; L299-P303 WeakPolarHBondContact O-CD 3.44Å; L299-M330 HydrophobicContact CD2-CE 4.34Å; L299-W331 HydrophobicContact CB-CH2 4.41Å; L299-W331 HydrophobicContact CB-CZ2 4.46Å; L299-W331 HydrophobicContact CD2-CH2 3.79Å; L299-W331 HydrophobicContact CD2-CZ2 4.16Å; L299-W331 HydrophobicContact CD2-CZ3 4.23Å; L299-W331 WeakPolarHBondContact O-CZ2 3.34Å; L299-M334 HydrophobicContact CD2-CE 3.8Å; L299-M334 HydrophobicContact CD2-SD 3.86Å |
| 300 | L | 97.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 40% | 0.398 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.6 | 178.8 | -68.8 | 173.3 | 0 | 0 | 0 | 113.5 | P296 L297 A298 V302 P303 L304 | P296-L300 WeakPolarHBondContact O-CG 3.25Å; P296-L300 PolarHBondContact O-N 3Å; P296-L300 VanDerWaalsContact O-N 3.13Å; L297-L300 PolarHBondContact O-N 3.49Å; L297-L300 VanDerWaalsContact O-N 3.09Å; A298-L300 VanDerWaalsContact C-N 3.31Å; A298-L300 PolarHBondContact O-N 3.36Å; L300-V302 PolarHBondContact O-N 3.01Å; L300-P303 WeakPolarHBondContact O-CD 3.14Å; L300-L304 HydrophobicContact CB-CD1 3.81Å; L300-L304 HydrophobicContact CB-CG 4.22Å; L300-L304 VanDerWaalsContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 WeakPolarHBondContact O-CD1 3.21Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.21Å |
| 301 | C | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | -173 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | A298 L299 L304 M305 N358 S362 | A298-C301 WeakPolarHBondContact O-CB 3.48Å; A298-C301 PolarHBondContact O-N 2.81Å; L299-C301 PolarHBondContact O-N 3.14Å; C301-L304 PolarHBondContact O-N 2.76Å; C301-M305 VanDerWaalsContact O-CG 3.3Å; C301-M305 WeakPolarHBondContact O-CG 3.47Å; C301-M305 PolarHBondContact O-N 3.36Å; C301-N358 HydrophobicContact CB-CB 4.24Å; C301-S362 WeakPolarHBondContact CA-OG 3.42Å; C301-S362 VanDerWaalsContact CB-OG 3.3Å; C301-S362 WeakPolarHBondContact CB-OG 3.43Å; C301-S362 PolarHBondContact N-OG 3.05Å |
| 302 | V | 94.9 | Very high | 93.4 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.327 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.3 | -51.4 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 112 | L300 L304 M305 L306 Q327 | L300-V302 PolarHBondContact O-N 3.01Å; V302-L304 VanDerWaalsContact C-N 3.26Å; V302-L304 PolarHBondContact O-N 2.68Å; V302-M305 HydrophobicContact CG2-CE 4.3Å; V302-M305 PolarHBondContact O-N 2.98Å; V302-L306 WeakPolarHBondContact O-CB 3.36Å; V302-L306 PolarHBondContact O-N 3Å; V302-Q327 HydrophobicContact CG2-CG 4.4Å |
| 303 | P | 95.5 | Very high | 92.2 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.4 | -42.6 | 174 | -28.7 | 34.2 | 0 | 0 | 0 | 113.4 | L299 L300 L306 C307 | L299-P303 WeakPolarHBondContact O-CD 3.44Å; L300-P303 WeakPolarHBondContact O-CD 3.14Å; P303-L306 PolarHBondContact O-N 2.7Å; P303-C307 WeakPolarHBondContact O-CB 3.42Å; P303-C307 PolarHBondContact O-N 2.73Å; P303-C307 PolarHBondContact O-SG 3.49Å |
| 304 | L | 94.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.2 | -40.9 | -179.9 | -70.9 | 169.9 | 0 | 0 | 0 | 112.6 | L300 C301 V302 L306 C307 K308 L365 L366 F369 | L300-L304 HydrophobicContact CB-CD1 3.81Å; L300-L304 HydrophobicContact CB-CG 4.22Å; L300-L304 VanDerWaalsContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 WeakPolarHBondContact O-CD1 3.21Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.21Å; C301-L304 PolarHBondContact O-N 2.76Å; V302-L304 VanDerWaalsContact C-N 3.26Å; V302-L304 PolarHBondContact O-N 2.68Å; L304-L306 VanDerWaalsContact C-N 3.35Å; L304-C307 PolarHBondContact O-N 3.09Å; L304-K308 PolarHBondContact O-N 3.22Å; L304-L365 HydrophobicContact CB-CB 4.11Å; L304-L365 HydrophobicContact CB-CD1 3.76Å; L304-L365 HydrophobicContact CD1-CB 4.3Å; L304-L366 HydrophobicContact CD1-CD1 4.38Å; L304-L366 HydrophobicContact CD1-CD2 4.08Å; L304-L366 HydrophobicContact CD1-CG 3.79Å; L304-L366 HydrophobicContact CD2-CD2 3.75Å; L304-L366 HydrophobicContact CD2-CG 4.32Å; L304-F369 HydrophobicContact CB-CE2 4.16Å; L304-F369 HydrophobicContact CD2-CD2 4.02Å; L304-F369 HydrophobicContact CD2-CE2 3.81Å; L304-F369 WeakPolarHBondContact O-CZ 3.32Å |
| 305 | M | 92.5 | Very high | 89.8 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 17% | 0.167 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.7 | -73.8 | -167.1 | -50.2 | 0 | 0 | 111.6 | C301 V302 K308 Y309 A323 Q327 L365 | C301-M305 VanDerWaalsContact O-CG 3.3Å; C301-M305 WeakPolarHBondContact O-CG 3.47Å; C301-M305 PolarHBondContact O-N 3.36Å; V302-M305 HydrophobicContact CG2-CE 4.3Å; V302-M305 PolarHBondContact O-N 2.98Å; M305-K308 PolarHBondContact O-N 3.28Å; M305-Y309 PolarHBondContact O-N 2.99Å; M305-A323 HydrophobicContact SD-CB 4.33Å; M305-Q327 HydrophobicContact CE-CG 3.66Å; M305-L365 HydrophobicContact CG-CD1 3.69Å |
| 306 | L | 92.2 | Very high | 88.7 | Confident | 94 Ų | 94 | 69 Ų | 69 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 176.8 | -177.3 | 62.8 | 0 | 0 | 0 | 111.3 | V302 P303 L304 K308 Y309 L310 | V302-L306 WeakPolarHBondContact O-CB 3.36Å; V302-L306 PolarHBondContact O-N 3Å; P303-L306 PolarHBondContact O-N 2.7Å; L304-L306 VanDerWaalsContact C-N 3.35Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 2.84Å; L306-Y309 WeakPolarHBondContact O-CB 3.33Å; L306-Y309 PolarHBondContact O-N 3.23Å; L306-Y309 VanDerWaalsContact O-N 3.1Å; L306-L310 HydrophobicContact CD1-CD1 3.83Å; L306-L310 HydrophobicContact CD1-CG 3.97Å; L306-L310 HydrophobicContact CD2-CD1 4.4Å; L306-L310 HydrophobicContact CG-CD1 3.79Å; L306-L310 HydrophobicContact CG-CG 4.28Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 2.9Å |
| 307 | C | 91.6 | Very high | 87.7 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 175.2 | -72 | 0 | 0 | 0 | 0 | 111.6 | P303 L304 F311 F369 | P303-C307 WeakPolarHBondContact O-CB 3.42Å; P303-C307 PolarHBondContact O-N 2.73Å; P303-C307 PolarHBondContact O-SG 3.49Å; L304-C307 PolarHBondContact O-N 3.09Å; C307-F311 HydrophobicContact CB-CD2 4.3Å; C307-F311 WeakPolarHBondContact O-CB 3.38Å; C307-F311 WeakPolarHBondContact O-CD2 3.32Å; C307-F311 PolarHBondContact O-N 3.17Å; C307-F369 HydrophobicContact CB-CZ 4.03Å |
| 308 | K | 87.5 | Confident | 86.8 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.4 | -177.8 | -89.1 | 171.4 | -161.6 | 0 | 110.4 | L304 M305 L306 V312 M316 F369 | L304-K308 PolarHBondContact O-N 3.22Å; M305-K308 PolarHBondContact O-N 3.28Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 2.84Å; K308-V312 PolarHBondContact O-N 2.81Å; K308-M316 HydrophobicContact CG-CE 4.13Å; K308-F369 HydrophobicContact CB-CE1 4.39Å; K308-F369 HydrophobicContact CB-CZ 3.75Å |
| 309 | Y | 87.6 | Confident | 86.2 | Confident | 182 Ų | 182 | 75.1 Ų | 75.1 | 71% | 0.714 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | -178.9 | 177.9 | -103 | 0 | 0 | 0 | 112.5 | M305 L306 | M305-Y309 PolarHBondContact O-N 2.99Å; L306-Y309 WeakPolarHBondContact O-CB 3.33Å; L306-Y309 PolarHBondContact O-N 3.23Å; L306-Y309 VanDerWaalsContact O-N 3.1Å |
| 310 | L | 88.7 | Confident | 85.7 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 53% | 0.534 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -84.2 | -37.7 | -175 | -64.8 | 177.2 | 0 | 0 | 0 | 114.2 | L306 | L306-L310 HydrophobicContact CD1-CD1 3.83Å; L306-L310 HydrophobicContact CD1-CG 3.97Å; L306-L310 HydrophobicContact CD2-CD1 4.4Å; L306-L310 HydrophobicContact CG-CD1 3.79Å; L306-L310 HydrophobicContact CG-CG 4.28Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 2.9Å |
| 311 | F | 83.9 | Confident | 85.3 | Confident | 150 Ų | 150 | 77 Ų | 77 | 66% | 0.658 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -117.9 | -8.5 | -164.6 | -56.2 | -67.4 | 0 | 0 | 0 | 114.9 | C307 | C307-F311 HydrophobicContact CB-CD2 4.3Å; C307-F311 WeakPolarHBondContact O-CB 3.38Å; C307-F311 WeakPolarHBondContact O-CD2 3.32Å; C307-F311 PolarHBondContact O-N 3.17Å |
| 312 | V | 79 | Confident | 85.2 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 10% | 0.097 | 42% | 0.415 | C | S | . | . | trans | -117.4 | 117.8 | -174.9 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | K308 M316 F369 Y372 | K308-V312 PolarHBondContact O-N 2.81Å; V312-M316 HydrophobicContact CG1-CB 3.48Å; V312-M316 VanDerWaalsContact CG1-CB 3.48Å; V312-M316 HydrophobicContact CG1-CG 4.24Å; V312-M316 HydrophobicContact CG1-SD 3.87Å; V312-F369 HydrophobicContact CG2-CD1 4.1Å; V312-F369 HydrophobicContact CG2-CE1 3.52Å; V312-Y372 HydrophobicContact CG1-CD2 4.44Å; V312-Y372 HydrophobicContact CG1-CE1 4.36Å; V312-Y372 HydrophobicContact CG1-CE2 4.19Å | ||
| 313 | N | 70.5 | Confident | 85.1 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 59% | 0.594 | 40% | 0.4 | S | S | * | . | trans | -56.8 | 160 | 174.7 | -62.1 | 6.2 | 0 | 0 | 0 | 112.3 | K315 M316 | N313-K315 PolarHBondContact O-N 3.46Å; N313-M316 PolarHBondContact O-N 2.69Å | ||
| 314 | D | 71.7 | Confident | 85.1 | Confident | 158 Ų | 158 | 77.2 Ų | 77.2 | 85% | 0.845 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -3.9 | -178.8 | -64.7 | -39 | 0 | 0 | 0 | 116.5 | M316 | D314-M316 VanDerWaalsContact C-N 3.3Å; D314-M316 PolarHBondContact O-N 3.29Å |
| 315 | K | 72.5 | Confident | 85.2 | Confident | 185 Ų | 185 | 78.6 Ų | 78.6 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19 | 175.4 | -61.9 | -171.8 | -179.7 | -178.1 | 0 | 113.7 | N313 | N313-K315 PolarHBondContact O-N 3.46Š|
| 316 | M | 74.5 | Confident | 85.4 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 4% | 0.044 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -89.6 | 131.5 | 177 | 179.7 | 161.3 | 148.9 | 0 | 0 | 110.6 | K308 V312 N313 D314 S318 L365 L368 F369 | K308-M316 HydrophobicContact CG-CE 4.13Å; V312-M316 HydrophobicContact CG1-CB 3.48Å; V312-M316 VanDerWaalsContact CG1-CB 3.48Å; V312-M316 HydrophobicContact CG1-CG 4.24Å; V312-M316 HydrophobicContact CG1-SD 3.87Å; N313-M316 PolarHBondContact O-N 2.69Å; D314-M316 VanDerWaalsContact C-N 3.3Å; D314-M316 PolarHBondContact O-N 3.29Å; M316-S318 PolarHBondContact O-N 3.04Å; M316-L365 HydrophobicContact CE-CD2 4.38Å; M316-L368 HydrophobicContact CE-CB 3.27Å; M316-L368 HydrophobicContact CE-CD1 3.89Å; M316-L368 HydrophobicContact CE-CG 4.24Å; M316-L368 HydrophobicContact CG-CB 4.3Å; M316-L368 HydrophobicContact CG-CD1 4.49Å; M316-L368 HydrophobicContact SD-CB 3.93Å; M316-F369 HydrophobicContact CE-CD1 4.25Å; M316-F369 HydrophobicContact CE-CD2 4.25Å; M316-F369 HydrophobicContact CE-CE1 4.32Å; M316-F369 HydrophobicContact CE-CE2 4.27Å; M316-F369 HydrophobicContact CE-CG 4.22Å; M316-F369 HydrophobicContact CE-CZ 4.31Å; M316-F369 HydrophobicContact SD-CD1 4.3Å |
| 317 | P | 77.6 | Confident | 85.6 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 129.8 | 175 | -26.3 | 34.1 | 0 | 0 | 0 | 111.7 | L368 | P317-L368 HydrophobicContact CB-CD1 4.42Å; P317-L368 HydrophobicContact CG-CD2 4.39Å |
| 318 | S | 78.6 | Confident | 85.8 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 146.7 | 176.4 | 55 | 0 | 0 | 0 | 0 | 111.6 | M316 | M316-S318 PolarHBondContact O-N 3.04Š|
| 319 | L | 85.6 | Confident | 86.3 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 148.1 | 162.8 | -64 | 170.9 | 0 | 0 | 0 | 109.4 | F143 L147 A323 L365 | F143-L319 HydrophobicContact CD1-CD2 3.95Å; L147-L319 HydrophobicContact CD1-CD2 3.92Å; L319-A323 HydrophobicContact CB-CB 3.83Å; L319-A323 HydrophobicContact CD1-CB 4.2Å; L319-L365 HydrophobicContact CD1-CD1 4.11Å; L319-L365 HydrophobicContact CD1-CD2 4.03Å; L319-L365 HydrophobicContact CD1-CG 4.15Å; L319-L365 HydrophobicContact CG-CD2 4.36Å |
| 320 | P | 87.7 | Confident | 86.8 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 151.7 | 171.6 | -21.9 | 30.7 | 0 | 0 | 0 | 112.1 | A142 F143 K322 A323 | A142-P320 WeakPolarHBondContact O-CG 3.38Å; F143-P320 HydrophobicContact CD1-CG 4.04Å; F143-P320 HydrophobicContact CE1-CG 4.25Å; P320-K322 PolarHBondContact O-N 3.42Å; P320-A323 VanDerWaalsContact O-CB 3.28Å; P320-A323 WeakPolarHBondContact O-CB 3.45Å; P320-A323 PolarHBondContact O-N 3.48Å |
| 321 | C | 88.8 | Confident | 87.2 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 68% | 0.676 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.5 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | A323 I324 | C321-A323 PolarHBondContact O-N 2.84Å; C321-A323 VanDerWaalsContact O-N 3.15Å; C321-I324 WeakPolarHBondContact O-CB 3.29Å; C321-I324 PolarHBondContact O-N 3.37Å |
| 322 | K | 93.6 | Very high | 87.9 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -26 | 174.9 | -168.6 | 173.5 | -73.7 | -169 | 0 | 113.2 | W185 L186 N188 E218 P320 I324 Y325 V326 | W185-K322 HydrophobicContact CZ2-CG 4.36Å; W185-K322 PolarHBondContact O-NZ 3.47Å; L186-K322 HydrophobicContact CD2-CD 4.1Å; L186-K322 PolarHBondContact O-NZ 3.36Å; L186-K322 VanDerWaalsContact O-NZ 3.16Å; N188-K322 PolarHBondContact OD1-NZ 2.87Å; E218-K322 WeakPolarHBondContact OE1-CE 3.12Å; P320-K322 PolarHBondContact O-N 3.42Å; K322-I324 PolarHBondContact O-N 2.67Å; K322-Y325 PolarHBondContact O-N 3.38Å; K322-Y325 VanDerWaalsContact O-N 3.16Å; K322-V326 HydrophobicContact CG-CG2 4.22Å; K322-V326 WeakPolarHBondContact O-CG2 3.42Å; K322-V326 PolarHBondContact O-N 3.27Å |
| 323 | A | 94.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F143 M305 L319 P320 C321 Y325 V326 Q327 M361 | F143-A323 HydrophobicContact CE1-CB 3.48Å; F143-A323 VanDerWaalsContact CE1-CB 3.48Å; F143-A323 HydrophobicContact CZ-CB 4.03Å; M305-A323 HydrophobicContact SD-CB 4.33Å; L319-A323 HydrophobicContact CB-CB 3.83Å; L319-A323 HydrophobicContact CD1-CB 4.2Å; P320-A323 VanDerWaalsContact O-CB 3.28Å; P320-A323 WeakPolarHBondContact O-CB 3.45Å; P320-A323 PolarHBondContact O-N 3.48Å; C321-A323 PolarHBondContact O-N 2.84Å; C321-A323 VanDerWaalsContact O-N 3.15Å; A323-Y325 PolarHBondContact O-N 3.24Å; A323-V326 PolarHBondContact O-N 2.81Å; A323-Q327 WeakPolarHBondContact O-CG 3.41Å; A323-Q327 PolarHBondContact O-N 2.88Å; A323-M361 HydrophobicContact CB-CE 4.36Å; A323-M361 HydrophobicContact CB-SD 4.5Å |
| 324 | I | 94.2 | Very high | 90.1 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | -178.1 | -61.4 | 173.5 | 0 | 0 | 0 | 109.8 | C321 K322 Q327 M328 | C321-I324 WeakPolarHBondContact O-CB 3.29Å; C321-I324 PolarHBondContact O-N 3.37Å; K322-I324 PolarHBondContact O-N 2.67Å; I324-Q327 WeakPolarHBondContact O-CG 3.46Å; I324-Q327 PolarHBondContact O-NE2 2.9Å; I324-M328 VanDerWaalsContact O-CG 3.29Å; I324-M328 WeakPolarHBondContact O-CG 3.3Å |
| 325 | Y | 96.6 | Very high | 91.3 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.8 | -42.2 | 178.9 | -58.6 | -83.3 | 0 | 0 | 0 | 112 | P214 L217 E218 V221 K322 A323 Q327 M328 | P214-Y325 VanDerWaalsContact CB-O 3.28Å; P214-Y325 WeakPolarHBondContact CB-O 3.46Å; L217-Y325 HydrophobicContact CB-CD1 4.22Å; L217-Y325 HydrophobicContact CB-CE1 4.17Å; E218-Y325 HydrophobicContact CB-CD1 3.89Å; E218-Y325 HydrophobicContact CB-CD2 3.89Å; E218-Y325 HydrophobicContact CB-CE1 4.29Å; E218-Y325 HydrophobicContact CB-CE2 4.28Å; E218-Y325 HydrophobicContact CB-CG 3.68Å; E218-Y325 HydrophobicContact CG-CD2 3.62Å; E218-Y325 HydrophobicContact CG-CE2 3.98Å; E218-Y325 HydrophobicContact CG-CG 3.94Å; V221-Y325 WeakPolarHBondContact CG2-OH 3.35Å; K322-Y325 PolarHBondContact O-N 3.38Å; K322-Y325 VanDerWaalsContact O-N 3.16Å; A323-Y325 PolarHBondContact O-N 3.24Å; Y325-Q327 VanDerWaalsContact C-N 3.27Å; Y325-Q327 PolarHBondContact O-N 2.93Å; Y325-M328 HydrophobicContact CD1-SD 4.01Å; Y325-M328 VanDerWaalsContact O-CB 3.31Å; Y325-M328 WeakPolarHBondContact O-CB 3.32Å; Y325-M328 PolarHBondContact O-N 3.41Å |
| 326 | V | 96.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.7 | -43.1 | -178.3 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | F143 Y182 W185 L186 K322 A323 M328 V357 M361 | F143-V326 HydrophobicContact CZ-CG2 4.34Å; Y182-V326 HydrophobicContact CD1-CG1 4.44Å; W185-V326 HydrophobicContact CE3-CG2 4.3Å; W185-V326 HydrophobicContact CH2-CG2 3.9Å; W185-V326 HydrophobicContact CZ3-CB 4.35Å; W185-V326 HydrophobicContact CZ3-CG2 3.62Å; L186-V326 HydrophobicContact CD2-CG2 3.95Å; K322-V326 HydrophobicContact CG-CG2 4.22Å; K322-V326 WeakPolarHBondContact O-CG2 3.42Å; K322-V326 PolarHBondContact O-N 3.27Å; A323-V326 PolarHBondContact O-N 2.81Å; V326-M328 VanDerWaalsContact C-N 3.28Å; V326-M328 PolarHBondContact O-N 3.5Å; V326-V357 HydrophobicContact CG1-CG1 3.69Å; V326-M361 HydrophobicContact CB-CE 4.18Å; V326-M361 HydrophobicContact CG1-CE 3.81Å |
| 327 | Q | 95.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 43 Ų | 43 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70 | -23.1 | -179.8 | 66.2 | 78.2 | 37.8 | 0 | 0 | 113.9 | V302 M305 A323 I324 Y325 G329 M330 N358 | V302-Q327 HydrophobicContact CG2-CG 4.4Å; M305-Q327 HydrophobicContact CE-CG 3.66Å; A323-Q327 WeakPolarHBondContact O-CG 3.41Å; A323-Q327 PolarHBondContact O-N 2.88Å; I324-Q327 WeakPolarHBondContact O-CG 3.46Å; I324-Q327 PolarHBondContact O-NE2 2.9Å; Y325-Q327 VanDerWaalsContact C-N 3.27Å; Y325-Q327 PolarHBondContact O-N 2.93Å; Q327-G329 PolarHBondContact O-N 3.47Å; Q327-M330 PolarHBondContact O-N 3.14Å; Q327-N358 VanDerWaalsContact CA-OD1 3.3Å; Q327-N358 WeakPolarHBondContact CA-OD1 3.27Å; Q327-N358 WeakPolarHBondContact CB-OD1 3.48Å; Q327-N358 PolarHBondContact O-ND2 3.14Å |
| 328 | M | 97.2 | Very high | 94.3 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -33.3 | -179 | -66.4 | 173.4 | 107.6 | 0 | 0 | 111.6 | P214 L217 I324 Y325 V326 M330 W331 M332 | P214-M328 HydrophobicContact CB-CB 4.13Å; P214-M328 HydrophobicContact CG-CB 3.8Å; L217-M328 HydrophobicContact CD1-CE 4.37Å; I324-M328 VanDerWaalsContact O-CG 3.29Å; I324-M328 WeakPolarHBondContact O-CG 3.3Å; Y325-M328 HydrophobicContact CD1-SD 4.01Å; Y325-M328 VanDerWaalsContact O-CB 3.31Å; Y325-M328 WeakPolarHBondContact O-CB 3.32Å; Y325-M328 PolarHBondContact O-N 3.41Å; V326-M328 VanDerWaalsContact C-N 3.28Å; V326-M328 PolarHBondContact O-N 3.5Å; M328-M330 PolarHBondContact O-N 3.15Å; M328-W331 PolarHBondContact O-N 2.96Å; M328-M332 HydrophobicContact CB-CG 4.47Å; M328-M332 HydrophobicContact CB-SD 4.26Å; M328-M332 VanDerWaalsContact O-CB 3.29Å; M328-M332 WeakPolarHBondContact O-CB 3.3Å; M328-M332 WeakPolarHBondContact O-CG 3.21Å; M328-M332 PolarHBondContact O-N 3.47Å |
| 329 | G | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.9 | -50 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y182 L211 Q327 W333 | Y182-G329 WeakPolarHBondContact OH-CA 3.41Å; L211-G329 WeakPolarHBondContact CD2-O 3.45Å; Q327-G329 PolarHBondContact O-N 3.47Å; G329-W333 WeakPolarHBondContact O-CB 3.39Å; G329-W333 PolarHBondContact O-N 3.42Å |
| 330 | M | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.4 | -173.9 | -164.5 | 81.1 | 0 | 0 | 111.7 | A298 L299 Q327 M328 W333 M334 M351 L354 L355 N358 | A298-M330 HydrophobicContact CB-CE 4.18Å; A298-M330 HydrophobicContact CB-SD 3.69Å; L299-M330 HydrophobicContact CD2-CE 4.34Å; Q327-M330 PolarHBondContact O-N 3.14Å; M328-M330 PolarHBondContact O-N 3.15Å; M330-W333 WeakPolarHBondContact O-CB 3.23Å; M330-W333 PolarHBondContact O-N 2.89Å; M330-M334 HydrophobicContact CE-SD 4.09Å; M330-M334 HydrophobicContact CG-SD 4.3Å; M330-M334 WeakPolarHBondContact O-CG 3.45Å; M330-M334 PolarHBondContact O-N 3.39Å; M330-M351 HydrophobicContact CG-SD 4.13Å; M330-L354 HydrophobicContact CB-CB 4.25Å; M330-L355 HydrophobicContact CG-CB 4.41Å; M330-L355 HydrophobicContact SD-CB 4.01Å; M330-L355 HydrophobicContact SD-CG 4.13Å; M330-N358 WeakPolarHBondContact CB-ND2 3.33Å; M330-N358 HydrophobicContact CE-CB 4.4Å; M330-N358 VanDerWaalsContact CE-ND2 3.33Å; M330-N358 WeakPolarHBondContact CE-ND2 3.17Å; M330-N358 HydrophobicContact SD-CB 3.97Å; M330-N358 PolarHBondContact SD-ND2 3.39Å; M330-N358 VanDerWaalsContact SD-ND2 3.36Å |
| 331 | W | 97.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 27% | 0.269 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.6 | -42.4 | -177.1 | -78.4 | 100.2 | 0 | 0 | 0 | 112.9 | L299 M328 W333 M334 L335 | L299-W331 HydrophobicContact CB-CH2 4.41Å; L299-W331 HydrophobicContact CB-CZ2 4.46Å; L299-W331 HydrophobicContact CD2-CH2 3.79Å; L299-W331 HydrophobicContact CD2-CZ2 4.16Å; L299-W331 HydrophobicContact CD2-CZ3 4.23Å; L299-W331 WeakPolarHBondContact O-CZ2 3.34Å; M328-W331 PolarHBondContact O-N 2.96Å; W331-W333 VanDerWaalsContact C-N 3.3Å; W331-W333 PolarHBondContact O-N 3.11Å; W331-M334 PolarHBondContact O-N 2.68Å; W331-L335 WeakPolarHBondContact O-CB 3.45Å; W331-L335 WeakPolarHBondContact O-CG 3.47Å; W331-L335 PolarHBondContact O-N 2.91Å |
| 332 | M | 97.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 21% | 0.212 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 175.2 | -71.2 | -177.6 | 65.5 | 0 | 0 | 110.6 | L210 V213 P214 M328 L335 V336 | L210-M332 HydrophobicContact CD1-CB 4.48Å; L210-M332 HydrophobicContact CD1-CE 3.66Å; L210-M332 HydrophobicContact CG-CB 4.42Å; V213-M332 HydrophobicContact CB-CE 3.7Å; V213-M332 HydrophobicContact CB-SD 4.25Å; V213-M332 HydrophobicContact CG1-CE 3.67Å; V213-M332 HydrophobicContact CG1-SD 4.19Å; V213-M332 HydrophobicContact CG2-CE 4.11Å; P214-M332 HydrophobicContact CG-SD 4.12Å; M328-M332 HydrophobicContact CB-CG 4.47Å; M328-M332 HydrophobicContact CB-SD 4.26Å; M328-M332 VanDerWaalsContact O-CB 3.29Å; M328-M332 WeakPolarHBondContact O-CB 3.3Å; M328-M332 WeakPolarHBondContact O-CG 3.21Å; M328-M332 PolarHBondContact O-N 3.47Å; M332-L335 PolarHBondContact O-N 2.9Å; M332-V336 WeakPolarHBondContact O-CG2 3.38Å; M332-V336 PolarHBondContact O-N 2.88Å; M332-V336 VanDerWaalsContact O-N 3.12Å |
| 333 | W | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 175.4 | -161.8 | -94.3 | 0 | 0 | 0 | 111.9 | W205 F207 L210 L211 G329 M330 W331 L335 V336 F337 F347 P350 M351 | W205-W333 HydrophobicContact CE3-CH2 4.16Å; W205-W333 HydrophobicContact CE3-CZ2 4.28Å; W205-W333 HydrophobicContact CH2-CH2 4.49Å; W205-W333 HydrophobicContact CH2-CZ2 4.08Å; W205-W333 AromaticContact CZ3-CH2 3.81Å; W205-W333 HydrophobicContact CZ3-CH2 3.81Å; W205-W333 AromaticContact CZ3-CZ2 3.51Å; W205-W333 HydrophobicContact CZ3-CZ2 3.51Å; F207-W333 VanDerWaalsContact O-CZ3 3.32Å; F207-W333 WeakPolarHBondContact O-CZ3 3.33Å; L210-W333 HydrophobicContact CB-CE3 4.27Å; L210-W333 HydrophobicContact CB-CZ3 4.18Å; L210-W333 HydrophobicContact CD2-CE3 3.98Å; L210-W333 HydrophobicContact CD2-CZ3 4.49Å; L210-W333 HydrophobicContact CG-CE3 4.47Å; L211-W333 HydrophobicContact CD1-CD2 4.36Å; L211-W333 HydrophobicContact CD1-CE3 3.76Å; L211-W333 HydrophobicContact CD1-CH2 4.46Å; L211-W333 HydrophobicContact CD1-CZ3 3.81Å; L211-W333 HydrophobicContact CD2-CB 4.1Å; L211-W333 HydrophobicContact CD2-CD2 4.12Å; L211-W333 HydrophobicContact CD2-CE3 3.51Å; L211-W333 HydrophobicContact CD2-CG 4.42Å; L211-W333 HydrophobicContact CD2-CZ3 4.27Å; L211-W333 HydrophobicContact CG-CD2 4.37Å; L211-W333 HydrophobicContact CG-CE3 3.46Å; L211-W333 VanDerWaalsContact CG-CE3 3.46Å; L211-W333 HydrophobicContact CG-CZ3 3.69Å; G329-W333 WeakPolarHBondContact O-CB 3.39Å; G329-W333 PolarHBondContact O-N 3.42Å; M330-W333 WeakPolarHBondContact O-CB 3.23Å; M330-W333 PolarHBondContact O-N 2.89Å; W331-W333 VanDerWaalsContact C-N 3.3Å; W331-W333 PolarHBondContact O-N 3.11Å; W333-L335 PolarHBondContact O-N 3.33Å; W333-V336 PolarHBondContact O-N 3.36Å; W333-F337 AromaticContact CD1-CD2 3.9Å; W333-F337 AromaticContact CD2-CD2 3.73Å; W333-F337 HydrophobicContact CD2-CD2 3.73Å; W333-F337 AromaticContact CD2-CE2 3.74Å; W333-F337 HydrophobicContact CD2-CE2 3.74Å; W333-F337 AromaticContact CE2-CD2 3.44Å; W333-F337 VanDerWaalsContact CE2-CD2 3.44Å; W333-F337 AromaticContact CE2-CE2 3.36Å; W333-F337 HydrophobicContact CE3-CD2 4.28Å; W333-F337 AromaticContact CE3-CE2 3.92Å; W333-F337 HydrophobicContact CE3-CE2 3.92Å; W333-F337 HydrophobicContact CG-CD2 4.04Å; W333-F337 HydrophobicContact CH2-CD2 4.37Å; W333-F337 AromaticContact CH2-CE2 3.45Å; W333-F337 HydrophobicContact CH2-CE2 3.45Å; W333-F337 VanDerWaalsContact CH2-CE2 3.45Å; W333-F337 AromaticContact CH2-CZ 3.83Å; W333-F337 HydrophobicContact CH2-CZ 3.83Å; W333-F337 AromaticContact CZ2-CD2 3.8Å; W333-F337 HydrophobicContact CZ2-CD2 3.8Å; W333-F337 HydrophobicContact CZ2-CE1 4.43Å; W333-F337 AromaticContact CZ2-CE2 3.21Å; W333-F337 HydrophobicContact CZ2-CE2 3.21Å; W333-F337 AromaticContact CZ2-CZ 3.58Å; W333-F337 HydrophobicContact CZ2-CZ 3.58Å; W333-F337 AromaticContact CZ3-CE2 3.79Å; W333-F337 HydrophobicContact CZ3-CE2 3.79Å; W333-F337 AromaticContact NE1-CD2 3.56Å; W333-F337 AromaticContact NE1-CE2 3.94Å; W333-F337 WeakPolarHBondContact O-CB 3.38Å; W333-F337 PolarHBondContact O-N 2.88Å; W333-F347 WeakPolarHBondContact CZ2-O 3.41Å; W333-F347 PolarHBondContact NE1-O 3.44Å; W333-P350 HydrophobicContact CH2-CB 3.9Å; W333-P350 HydrophobicContact CH2-CG 3.98Å; W333-P350 HydrophobicContact CZ2-CB 3.82Å; W333-P350 HydrophobicContact CZ2-CG 3.72Å; W333-P350 HydrophobicContact CZ3-CB 4.47Å; W333-M351 HydrophobicContact CB-CB 4.07Å; W333-M351 HydrophobicContact CB-CG 4.44Å; W333-M351 HydrophobicContact CB-SD 4.06Å; W333-M351 HydrophobicContact CD2-CB 4.48Å; W333-M351 HydrophobicContact CG-CB 3.85Å; W333-M351 HydrophobicContact CG-CG 4.02Å; W333-M351 HydrophobicContact CG-SD 4.01Å |
| 334 | M | 97.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 177.7 | -71.2 | -175.3 | 74 | 0 | 0 | 111.8 | F295 L299 M330 W331 V336 F338 M351 | F295-M334 HydrophobicContact CE2-CE 3.85Å; F295-M334 HydrophobicContact CE2-SD 4.44Å; F295-M334 HydrophobicContact CZ-CE 4.14Å; L299-M334 HydrophobicContact CD2-CE 3.8Å; L299-M334 HydrophobicContact CD2-SD 3.86Å; M330-M334 HydrophobicContact CE-SD 4.09Å; M330-M334 HydrophobicContact CG-SD 4.3Å; M330-M334 WeakPolarHBondContact O-CG 3.45Å; M330-M334 PolarHBondContact O-N 3.39Å; W331-M334 PolarHBondContact O-N 2.68Å; M334-V336 VanDerWaalsContact C-N 3.27Å; M334-V336 PolarHBondContact O-N 3.39Å; M334-F338 HydrophobicContact CB-CD2 3.99Å; M334-F338 HydrophobicContact CB-CE2 4.02Å; M334-F338 HydrophobicContact CE-CE1 3.81Å; M334-F338 HydrophobicContact CE-CE2 3.81Å; M334-F338 HydrophobicContact CE-CZ 3.39Å; M334-F338 HydrophobicContact CG-CD2 4.28Å; M334-F338 HydrophobicContact CG-CE2 3.79Å; M334-F338 HydrophobicContact CG-CZ 4.35Å; M334-F338 WeakPolarHBondContact O-CB 3.36Å; M334-F338 WeakPolarHBondContact O-CD2 3.48Å; M334-F338 WeakPolarHBondContact O-CG 3Å; M334-F338 PolarHBondContact O-N 3.41Å; M334-M351 HydrophobicContact CG-CE 4.33Å; M334-M351 HydrophobicContact CG-SD 3.93Å |
| 335 | L | 96.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 44 Ų | 44 | 53% | 0.534 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -32.7 | -178.7 | -75.3 | 170 | 0 | 0 | 0 | 113.4 | W331 M332 W333 K339 | W331-L335 WeakPolarHBondContact O-CB 3.45Å; W331-L335 WeakPolarHBondContact O-CG 3.47Å; W331-L335 PolarHBondContact O-N 2.91Å; M332-L335 PolarHBondContact O-N 2.9Å; W333-L335 PolarHBondContact O-N 3.33Å; L335-K339 VanDerWaalsContact O-CD 3.24Å; L335-K339 WeakPolarHBondContact O-CD 3.46Å; L335-K339 WeakPolarHBondContact O-CE 3.37Å; L335-K339 WeakPolarHBondContact O-CG 3.44Å |
| 336 | V | 96.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 43 Ų | 43 | 38% | 0.382 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -84 | -52.6 | 178.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | L210 M332 W333 M334 K339 | L210-V336 HydrophobicContact CD1-CG2 4.44Å; L210-V336 HydrophobicContact CD2-CB 3.87Å; L210-V336 HydrophobicContact CD2-CG1 4.32Å; L210-V336 HydrophobicContact CD2-CG2 3.67Å; M332-V336 WeakPolarHBondContact O-CG2 3.38Å; M332-V336 PolarHBondContact O-N 2.88Å; M332-V336 VanDerWaalsContact O-N 3.12Å; W333-V336 PolarHBondContact O-N 3.36Å; M334-V336 VanDerWaalsContact C-N 3.27Å; M334-V336 PolarHBondContact O-N 3.39Å; V336-K339 PolarHBondContact O-N 2.63Å |
| 337 | F | 95.5 | Very high | 96 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.3 | -33.5 | -172.1 | -81.8 | -86.7 | 0 | 0 | 0 | 113.2 | W205 F207 Y283 W333 K339 Q340 F347 | W205-F337 HydrophobicContact CH2-CD1 4.5Å; W205-F337 AromaticContact CH2-CE1 3.43Å; W205-F337 HydrophobicContact CH2-CE1 3.43Å; W205-F337 VanDerWaalsContact CH2-CE1 3.43Å; W205-F337 AromaticContact CH2-CZ 3.44Å; W205-F337 HydrophobicContact CH2-CZ 3.44Å; W205-F337 VanDerWaalsContact CH2-CZ 3.44Å; W205-F337 AromaticContact CZ2-CE1 3.9Å; W205-F337 HydrophobicContact CZ2-CE1 3.9Å; W205-F337 AromaticContact CZ2-CZ 3.97Å; W205-F337 HydrophobicContact CZ2-CZ 3.97Å; W205-F337 HydrophobicContact CZ3-CE1 4.43Å; W205-F337 HydrophobicContact CZ3-CZ 4.12Å; F207-F337 HydrophobicContact CB-CE2 4.45Å; F207-F337 HydrophobicContact CB-CZ 3.86Å; F207-F337 HydrophobicContact CG-CZ 4.45Å; Y283-F337 HydrophobicContact CE2-CB 4.32Å; Y283-F337 WeakPolarHBondContact CE2-O 3.49Å; W333-F337 AromaticContact CD1-CD2 3.9Å; W333-F337 AromaticContact CD2-CD2 3.73Å; W333-F337 HydrophobicContact CD2-CD2 3.73Å; W333-F337 AromaticContact CD2-CE2 3.74Å; W333-F337 HydrophobicContact CD2-CE2 3.74Å; W333-F337 AromaticContact CE2-CD2 3.44Å; W333-F337 VanDerWaalsContact CE2-CD2 3.44Å; W333-F337 AromaticContact CE2-CE2 3.36Å; W333-F337 HydrophobicContact CE3-CD2 4.28Å; W333-F337 AromaticContact CE3-CE2 3.92Å; W333-F337 HydrophobicContact CE3-CE2 3.92Å; W333-F337 HydrophobicContact CG-CD2 4.04Å; W333-F337 HydrophobicContact CH2-CD2 4.37Å; W333-F337 AromaticContact CH2-CE2 3.45Å; W333-F337 HydrophobicContact CH2-CE2 3.45Å; W333-F337 VanDerWaalsContact CH2-CE2 3.45Å; W333-F337 AromaticContact CH2-CZ 3.83Å; W333-F337 HydrophobicContact CH2-CZ 3.83Å; W333-F337 AromaticContact CZ2-CD2 3.8Å; W333-F337 HydrophobicContact CZ2-CD2 3.8Å; W333-F337 HydrophobicContact CZ2-CE1 4.43Å; W333-F337 AromaticContact CZ2-CE2 3.21Å; W333-F337 HydrophobicContact CZ2-CE2 3.21Å; W333-F337 AromaticContact CZ2-CZ 3.58Å; W333-F337 HydrophobicContact CZ2-CZ 3.58Å; W333-F337 AromaticContact CZ3-CE2 3.79Å; W333-F337 HydrophobicContact CZ3-CE2 3.79Å; W333-F337 AromaticContact NE1-CD2 3.56Å; W333-F337 AromaticContact NE1-CE2 3.94Å; W333-F337 WeakPolarHBondContact O-CB 3.38Å; W333-F337 PolarHBondContact O-N 2.88Å; F337-K339 PolarHBondContact O-N 3.05Å; F337-Q340 WeakPolarHBondContact O-CB 3.44Å; F337-Q340 PolarHBondContact O-N 3.25Å; F337-Q340 VanDerWaalsContact O-N 3.07Å; F337-F347 HydrophobicContact CD1-CB 4.06Å; F337-F347 HydrophobicContact CE1-CB 4.17Å; F337-F347 HydrophobicContact CE1-CG 4.45Å |
| 338 | F | 95.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.6 | 178.8 | -78.2 | -127.4 | 0 | 0 | 0 | 112.6 | F280 Y283 F284 L287 M334 L348 | F280-F338 HydrophobicContact CD2-CB 4.39Å; F280-F338 WeakPolarHBondContact CD2-O 3.25Å; F280-F338 HydrophobicContact CE2-CB 3.79Å; F280-F338 HydrophobicContact CE2-CD1 4.04Å; F280-F338 HydrophobicContact CE2-CG 4.46Å; F280-F338 HydrophobicContact CZ-CD1 4.1Å; Y283-F338 HydrophobicContact CD2-CB 4.48Å; Y283-F338 HydrophobicContact CD2-CD1 4.34Å; Y283-F338 AromaticContact CD2-CD2 3.61Å; Y283-F338 HydrophobicContact CD2-CD2 3.61Å; Y283-F338 HydrophobicContact CD2-CE1 4.5Å; Y283-F338 AromaticContact CD2-CE2 3.79Å; Y283-F338 HydrophobicContact CD2-CE2 3.79Å; Y283-F338 AromaticContact CD2-CG 3.9Å; Y283-F338 HydrophobicContact CD2-CG 3.9Å; Y283-F338 HydrophobicContact CD2-CZ 4.23Å; Y283-F338 HydrophobicContact CE2-CD2 4.33Å; Y283-F338 HydrophobicContact CG-CD2 4.33Å; Y283-F338 HydrophobicContact CG-CE2 4.05Å; Y283-F338 HydrophobicContact CG-CZ 4.18Å; F284-F338 HydrophobicContact CD2-CD1 4.29Å; F284-F338 AromaticContact CD2-CE1 3.76Å; F284-F338 HydrophobicContact CD2-CE1 3.76Å; F284-F338 AromaticContact CE2-CD1 3.82Å; F284-F338 HydrophobicContact CE2-CD1 3.82Å; F284-F338 AromaticContact CE2-CE1 3.52Å; F284-F338 HydrophobicContact CE2-CE1 3.52Å; F284-F338 HydrophobicContact CG-CE1 4.42Å; F284-F338 HydrophobicContact CZ-CD1 4.49Å; F284-F338 HydrophobicContact CZ-CE1 4.02Å; L287-F338 HydrophobicContact CD1-CE2 4.37Å; L287-F338 HydrophobicContact CD1-CZ 3.79Å; M334-F338 HydrophobicContact CB-CD2 3.99Å; M334-F338 HydrophobicContact CB-CE2 4.02Å; M334-F338 HydrophobicContact CE-CE1 3.81Å; M334-F338 HydrophobicContact CE-CE2 3.81Å; M334-F338 HydrophobicContact CE-CZ 3.39Å; M334-F338 HydrophobicContact CG-CD2 4.28Å; M334-F338 HydrophobicContact CG-CE2 3.79Å; M334-F338 HydrophobicContact CG-CZ 4.35Å; M334-F338 WeakPolarHBondContact O-CB 3.36Å; M334-F338 WeakPolarHBondContact O-CD2 3.48Å; M334-F338 WeakPolarHBondContact O-CG 3Å; M334-F338 PolarHBondContact O-N 3.41Å; F338-L348 HydrophobicContact CE2-CD2 4.17Å |
| 339 | K | 93.9 | Very high | 96.1 | Very high | 164 Ų | 164 | 41.1 Ų | 41.1 | 71% | 0.713 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.1 | 175.2 | -67.1 | -178.8 | -174.9 | -179 | 0 | 113.3 | L335 V336 F337 | L335-K339 VanDerWaalsContact O-CD 3.24Å; L335-K339 WeakPolarHBondContact O-CD 3.46Å; L335-K339 WeakPolarHBondContact O-CE 3.37Å; L335-K339 WeakPolarHBondContact O-CG 3.44Å; V336-K339 PolarHBondContact O-N 2.63Å; F337-K339 PolarHBondContact O-N 3.05Å |
| 340 | Q | 92.7 | Very high | 96.2 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | trans | -68.3 | 138.3 | 178.4 | -59.3 | -56.1 | -42.8 | 0 | 0 | 110.3 | F337 K343 | F337-Q340 WeakPolarHBondContact O-CB 3.44Å; F337-Q340 PolarHBondContact O-N 3.25Å; F337-Q340 VanDerWaalsContact O-N 3.07Å; Q340-K343 WeakPolarHBondContact O-CE 3.4Å; Q340-K343 PolarHBondContact O-NZ 3.3Å | ||
| 341 | K | 92.9 | Very high | 96.2 | Very high | 110 Ų | 110 | 41.1 Ų | 41.1 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -70.5 | -52.3 | 177.8 | -66.5 | -159.3 | -150.3 | 128.2 | 0 | 111 | E273 V277 E278 K343 | E273-K341 HydrophobicContact CG-CB 4.26Å; E273-K341 VanDerWaalsContact OE1-CD 3.25Å; E273-K341 WeakPolarHBondContact OE1-CD 3.34Å; E273-K341 WeakPolarHBondContact OE1-CE 3.23Å; E273-K341 IonicContact OE1-NZ 3.97Å; E273-K341 PolarHBondContact OE1-NZ 3.19Å; E273-K341 IonicContact OE2-NZ 3.78Å; E273-K341 PolarHBondContact OE2-NZ 2.98Å; V277-K341 HydrophobicContact CG1-CB 3.87Å; V277-K341 HydrophobicContact CG2-CB 4.02Å; E278-K341 PolarHBondContact N-O 3.13Å; E278-K341 VanDerWaalsContact N-O 3.12Å; K341-K343 PolarHBondContact O-NZ 3.35Å |
| 342 | H | 92.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -70.8 | 133.4 | 171.1 | -176.9 | 66.3 | 0 | 0 | 0 | 110.5 | P272 G276 E344 F347 | P272-H342 HydrophobicContact CB-CB 4.05Å; P272-H342 HydrophobicContact CG-CB 4.21Å; P272-H342 VanDerWaalsContact O-CG 3.29Å; P272-H342 PolarHBondContact O-ND1 2.93Å; G276-H342 PolarHBondContact O-ND1 3.47Å; H342-E344 IonicContact CE1-OE1 3.51Å; H342-E344 WeakPolarHBondContact NE2-CG 3.5Å; H342-E344 IonicContact NE2-OE1 3.74Å; H342-E344 PolarHBondContact NE2-OE1 3.39Å; H342-F347 AromaticContact CD2-CE2 3.7Å; H342-F347 AromaticContact NE2-CE2 3.98Å |
| 343 | K | 95.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | trans | -141.7 | 140.7 | -176.8 | -58.8 | 178 | -178.4 | 61.5 | 0 | 109.9 | E278 S279 F282 Y283 Q340 K341 | E278-K343 HydrophobicContact CB-CB 3.93Å; E278-K343 HydrophobicContact CB-CD 4.07Å; E278-K343 HydrophobicContact CB-CG 4.22Å; E278-K343 PolarHBondContact O-NZ 3.36Å; S279-K343 WeakPolarHBondContact O-CE 3.14Å; F282-K343 HydrophobicContact CB-CD 4Å; F282-K343 HydrophobicContact CD1-CB 3.67Å; F282-K343 HydrophobicContact CD1-CD 4.06Å; F282-K343 HydrophobicContact CE1-CB 3.98Å; F282-K343 HydrophobicContact CG-CB 4.4Å; F282-K343 HydrophobicContact CG-CD 4.38Å; Y283-K343 HydrophobicContact CD2-CD 3.86Å; Y283-K343 HydrophobicContact CD2-CG 4.32Å; Y283-K343 HydrophobicContact CE1-CB 3.83Å; Y283-K343 HydrophobicContact CE1-CG 4.35Å; Y283-K343 HydrophobicContact CE2-CB 4.05Å; Y283-K343 HydrophobicContact CE2-CD 3.73Å; Y283-K343 HydrophobicContact CE2-CG 3.67Å; Y283-K343 HydrophobicContact CG-CD 4.3Å; Y283-K343 WeakPolarHBondContact OH-CA 3.25Å; Q340-K343 WeakPolarHBondContact O-CE 3.4Å; Q340-K343 PolarHBondContact O-NZ 3.3Å; K341-K343 PolarHBondContact O-NZ 3.35Å | ||
| 344 | E | 95 | Very high | 96.2 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 19% | 0.187 | 17% | 0.168 | C | C | . | . | trans | -142.7 | 147.2 | 175.4 | -62.7 | -172.5 | -114.3 | 0 | 0 | 109.5 | Y283 H342 R346 F347 | Y283-E344 WeakPolarHBondContact CE1-O 3.5Å; H342-E344 IonicContact CE1-OE1 3.51Å; H342-E344 WeakPolarHBondContact NE2-CG 3.5Å; H342-E344 IonicContact NE2-OE1 3.74Å; H342-E344 PolarHBondContact NE2-OE1 3.39Å; E344-R346 VanDerWaalsContact C-N 3.27Å; E344-R346 HydrophobicContact CB-CG 3.94Å; E344-R346 VanDerWaalsContact CD-CZ 3.42Å; E344-R346 PolarHBondContact O-N 2.89Å; E344-R346 IonicContact OE1-CZ 3.77Å; E344-R346 VanDerWaalsContact OE1-CZ 3.31Å; E344-R346 IonicContact OE1-NE 3.21Å; E344-R346 PolarHBondContact OE1-NE 2.96Å; E344-R346 IonicContact OE1-NH2 2.81Å; E344-R346 PolarHBondContact OE1-NH2 2.92Å; E344-R346 IonicContact OE2-CZ 3.91Å; E344-R346 IonicContact OE2-NE 2.7Å; E344-R346 PolarHBondContact OE2-NE 3.23Å; E344-R346 VanDerWaalsContact OE2-NE 3.09Å; E344-R346 IonicContact OE2-NH1 3.66Å; E344-R346 PolarHBondContact OE2-NH1 2.82Å; E344-R346 IonicContact OE2-NH2 2.8Å; E344-R346 PolarHBondContact OE2-NH2 3.28Å; E344-F347 HydrophobicContact CB-CD1 4.39Å; E344-F347 HydrophobicContact CB-CD2 3.85Å; E344-F347 HydrophobicContact CB-CE1 4.28Å; E344-F347 HydrophobicContact CB-CE2 3.72Å; E344-F347 HydrophobicContact CB-CG 4.18Å; E344-F347 HydrophobicContact CB-CZ 3.94Å; E344-F347 HydrophobicContact CG-CD2 4.37Å; E344-F347 HydrophobicContact CG-CE2 3.74Å; E344-F347 HydrophobicContact CG-CZ 3.84Å; E344-F347 WeakPolarHBondContact O-CB 3.05Å; E344-F347 PolarHBondContact O-N 3.49Å; E344-F347 VanDerWaalsContact O-N 3.13Å; E344-F347 WeakPolarHBondContact OE1-CZ 3.43Å | ||
| 345 | E | 95.7 | Very high | 96.3 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 23% | 0.229 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -55.5 | -42.9 | 179.5 | 171.4 | 162.4 | -175.8 | 0 | 0 | 112.3 | N286 N290 F347 L348 Y349 | N286-E345 WeakPolarHBondContact ND2-CG 3.37Å; N286-E345 PolarHBondContact ND2-OE2 2.94Å; N290-E345 PolarHBondContact ND2-OE1 3.15Å; E345-F347 PolarHBondContact O-N 3.07Å; E345-L348 WeakPolarHBondContact O-CB 3.03Å; E345-L348 PolarHBondContact O-N 3Å; E345-Y349 HydrophobicContact CG-CE1 3.81Å |
| 346 | R | 96.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -59 | -21.6 | -179.8 | 58.6 | 152.4 | 178.7 | -116.7 | 9.4 | 114.5 | D59 D61 L169 S171 E344 L348 Y349 | D59-R346 IonicContact OD1-NH1 2.98Å; D59-R346 PolarHBondContact OD1-NH1 2.82Å; D59-R346 VanDerWaalsContact OD2-CD 3.25Å; D59-R346 WeakPolarHBondContact OD2-CD 3.39Å; D59-R346 WeakPolarHBondContact OD2-CG 3.37Å; D59-R346 IonicContact OD2-CZ 3.69Å; D59-R346 IonicContact OD2-NE 2.73Å; D59-R346 IonicContact OD2-NH1 3.12Å; D59-R346 PolarHBondContact OD2-NH1 3.14Å; D61-R346 VanDerWaalsContact CG-NH1 3.33Å; D61-R346 IonicContact OD2-CZ 2.78Å; D61-R346 IonicContact OD2-NH1 3.31Å; D61-R346 PolarHBondContact OD2-NH1 2.89Å; D61-R346 IonicContact OD2-NH2 2.67Å; D61-R346 PolarHBondContact OD2-NH2 2.83Å; L169-R346 HydrophobicContact CD1-CB 4.1Å; S171-R346 WeakPolarHBondContact CB-O 3.47Å; S171-R346 PolarHBondContact OG-O 3.07Å; E344-R346 VanDerWaalsContact C-N 3.27Å; E344-R346 HydrophobicContact CB-CG 3.94Å; E344-R346 VanDerWaalsContact CD-CZ 3.42Å; E344-R346 PolarHBondContact O-N 2.89Å; E344-R346 IonicContact OE1-CZ 3.77Å; E344-R346 VanDerWaalsContact OE1-CZ 3.31Å; E344-R346 IonicContact OE1-NE 3.21Å; E344-R346 PolarHBondContact OE1-NE 2.96Å; E344-R346 IonicContact OE1-NH2 2.81Å; E344-R346 PolarHBondContact OE1-NH2 2.92Å; E344-R346 IonicContact OE2-CZ 3.91Å; E344-R346 IonicContact OE2-NE 2.7Å; E344-R346 PolarHBondContact OE2-NE 3.23Å; E344-R346 VanDerWaalsContact OE2-NE 3.09Å; E344-R346 IonicContact OE2-NH1 3.66Å; E344-R346 PolarHBondContact OE2-NH1 2.82Å; E344-R346 IonicContact OE2-NH2 2.8Å; E344-R346 PolarHBondContact OE2-NH2 3.28Å; R346-L348 PolarHBondContact O-N 3.25Å; R346-Y349 HydrophobicContact CB-CD2 4.25Å; R346-Y349 HydrophobicContact CB-CE2 3.96Å; R346-Y349 PolarHBondContact O-N 3.43Å |
| 347 | F | 97.2 | Very high | 96.5 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 13% | 0.132 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -72 | -17.2 | 177.3 | -60.2 | -21.4 | 0 | 0 | 0 | 112.8 | W205 Y283 W333 F337 H342 E344 E345 | W205-F347 HydrophobicContact CH2-CB 3.85Å; W205-F347 AromaticContact CH2-CD1 3.56Å; W205-F347 HydrophobicContact CH2-CD1 3.56Å; W205-F347 HydrophobicContact CH2-CE1 4.42Å; W205-F347 AromaticContact CH2-CG 3.91Å; W205-F347 HydrophobicContact CH2-CG 3.91Å; W205-F347 AromaticContact CZ2-CD1 3.69Å; W205-F347 HydrophobicContact CZ2-CD1 3.69Å; W205-F347 HydrophobicContact CZ2-CE1 4.1Å; W205-F347 HydrophobicContact CZ2-CG 4.31Å; W205-F347 HydrophobicContact CZ3-CD1 4.48Å; Y283-F347 WeakPolarHBondContact OH-CD2 3.44Å; W333-F347 WeakPolarHBondContact CZ2-O 3.41Å; W333-F347 PolarHBondContact NE1-O 3.44Å; F337-F347 HydrophobicContact CD1-CB 4.06Å; F337-F347 HydrophobicContact CE1-CB 4.17Å; F337-F347 HydrophobicContact CE1-CG 4.45Å; H342-F347 AromaticContact CD2-CE2 3.7Å; H342-F347 AromaticContact NE2-CE2 3.98Å; E344-F347 HydrophobicContact CB-CD1 4.39Å; E344-F347 HydrophobicContact CB-CD2 3.85Å; E344-F347 HydrophobicContact CB-CE1 4.28Å; E344-F347 HydrophobicContact CB-CE2 3.72Å; E344-F347 HydrophobicContact CB-CG 4.18Å; E344-F347 HydrophobicContact CB-CZ 3.94Å; E344-F347 HydrophobicContact CG-CD2 4.37Å; E344-F347 HydrophobicContact CG-CE2 3.74Å; E344-F347 HydrophobicContact CG-CZ 3.84Å; E344-F347 WeakPolarHBondContact O-CB 3.05Å; E344-F347 PolarHBondContact O-N 3.49Å; E344-F347 VanDerWaalsContact O-N 3.13Å; E344-F347 WeakPolarHBondContact OE1-CZ 3.43Å; E345-F347 PolarHBondContact O-N 3.07Å |
| 348 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -85.7 | -17.2 | 177.5 | -59.4 | 174 | 0 | 0 | 0 | 112.8 | Y283 N286 L287 F338 E345 R346 M351 Y352 | Y283-L348 HydrophobicContact CD1-CD1 3.46Å; Y283-L348 VanDerWaalsContact CD1-CD1 3.46Å; Y283-L348 HydrophobicContact CD1-CD2 3.7Å; Y283-L348 HydrophobicContact CD1-CG 3.72Å; Y283-L348 HydrophobicContact CD2-CD2 4.28Å; Y283-L348 HydrophobicContact CE1-CD1 3.97Å; Y283-L348 HydrophobicContact CE1-CD2 3.84Å; Y283-L348 HydrophobicContact CE1-CG 3.76Å; Y283-L348 HydrophobicContact CE2-CD2 4.42Å; Y283-L348 HydrophobicContact CG-CD1 4.18Å; Y283-L348 HydrophobicContact CG-CD2 3.92Å; Y283-L348 HydrophobicContact CG-CG 4.42Å; N286-L348 HydrophobicContact CB-CD1 4.26Å; N286-L348 WeakPolarHBondContact OD1-CD1 3.23Å; L287-L348 HydrophobicContact CD2-CD1 3.84Å; L287-L348 HydrophobicContact CG-CD1 3.91Å; F338-L348 HydrophobicContact CE2-CD2 4.17Å; E345-L348 WeakPolarHBondContact O-CB 3.03Å; E345-L348 PolarHBondContact O-N 3Å; R346-L348 PolarHBondContact O-N 3.25Å; L348-M351 HydrophobicContact CB-CE 4.03Å; L348-M351 HydrophobicContact CD2-CE 3.51Å; L348-M351 HydrophobicContact CG-CE 4.28Å; L348-M351 WeakPolarHBondContact O-CG 3.42Å; L348-M351 PolarHBondContact O-N 3.47Å; L348-Y352 HydrophobicContact CB-CD1 4.41Å; L348-Y352 HydrophobicContact CB-CE1 3.61Å; L348-Y352 WeakPolarHBondContact O-CD1 3.32Å; L348-Y352 WeakPolarHBondContact O-CE1 3.37Å |
| 349 | Y | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -55.6 | -44.7 | -173.2 | -63.1 | -4.1 | 0 | 0 | 0 | 113.2 | I163 L169 S172 M175 E345 R346 M351 Y352 | I163-Y349 WeakPolarHBondContact CG2-OH 3.32Å; L169-Y349 HydrophobicContact CD1-CE2 3.99Å; S172-Y349 VanDerWaalsContact OG-CD2 3.27Å; S172-Y349 WeakPolarHBondContact OG-CD2 3.38Å; M175-Y349 VanDerWaalsContact CB-O 3.32Å; M175-Y349 WeakPolarHBondContact CB-O 3.41Å; M175-Y349 WeakPolarHBondContact CG-O 3.13Å; E345-Y349 HydrophobicContact CG-CE1 3.81Å; R346-Y349 HydrophobicContact CB-CD2 4.25Å; R346-Y349 HydrophobicContact CB-CE2 3.96Å; R346-Y349 PolarHBondContact O-N 3.43Å; Y349-M351 PolarHBondContact O-N 2.92Å; Y349-Y352 HydrophobicContact CD1-CD2 4.1Å; Y349-Y352 HydrophobicContact CD1-CE1 4.41Å; Y349-Y352 AromaticContact CD1-CE2 3.34Å; Y349-Y352 HydrophobicContact CD1-CE2 3.34Å; Y349-Y352 AromaticContact CD1-CZ 3.54Å; Y349-Y352 AromaticContact CE1-CE2 3.79Å; Y349-Y352 HydrophobicContact CE1-CE2 3.79Å; Y349-Y352 AromaticContact CE1-CZ 3.96Å; Y349-Y352 HydrophobicContact CG-CE2 4.25Å; Y349-Y352 VanDerWaalsContact O-CB 3.31Å; Y349-Y352 WeakPolarHBondContact O-CB 3.46Å; Y349-Y352 PolarHBondContact O-N 3.41Å |
| 350 | P | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -57.9 | -25.9 | -175.7 | -29.2 | 39 | 0 | 0 | 0 | 115.3 | A174 W205 L211 W333 | A174-P350 HydrophobicContact CB-CG 4.29Å; W205-P350 HydrophobicContact CE3-CG 3.84Å; W205-P350 HydrophobicContact CZ3-CG 3.8Å; L211-P350 HydrophobicContact CD1-CB 3.64Å; L211-P350 WeakPolarHBondContact CD1-O 3.22Å; W333-P350 HydrophobicContact CH2-CB 3.9Å; W333-P350 HydrophobicContact CH2-CG 3.98Å; W333-P350 HydrophobicContact CZ2-CB 3.82Å; W333-P350 HydrophobicContact CZ2-CG 3.72Å; W333-P350 HydrophobicContact CZ3-CB 4.47Å |
| 351 | M | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -95.5 | -3.9 | -179.9 | 68.3 | 159.6 | -171.8 | 0 | 0 | 114.7 | L287 M330 W333 M334 L348 Y349 S353 L354 L355 | L287-M351 HydrophobicContact CD1-CE 3.94Å; L287-M351 HydrophobicContact CD2-CE 3.91Å; M330-M351 HydrophobicContact CG-SD 4.13Å; W333-M351 HydrophobicContact CB-CB 4.07Å; W333-M351 HydrophobicContact CB-CG 4.44Å; W333-M351 HydrophobicContact CB-SD 4.06Å; W333-M351 HydrophobicContact CD2-CB 4.48Å; W333-M351 HydrophobicContact CG-CB 3.85Å; W333-M351 HydrophobicContact CG-CG 4.02Å; W333-M351 HydrophobicContact CG-SD 4.01Å; M334-M351 HydrophobicContact CG-CE 4.33Å; M334-M351 HydrophobicContact CG-SD 3.93Å; L348-M351 HydrophobicContact CB-CE 4.03Å; L348-M351 HydrophobicContact CD2-CE 3.51Å; L348-M351 HydrophobicContact CG-CE 4.28Å; L348-M351 WeakPolarHBondContact O-CG 3.42Å; L348-M351 PolarHBondContact O-N 3.47Å; Y349-M351 PolarHBondContact O-N 2.92Å; M351-S353 PolarHBondContact O-N 3.37Å; M351-L354 CarbonylContact O-C 3.56Å; M351-L354 WeakPolarHBondContact O-CA 3.19Å; M351-L354 WeakPolarHBondContact O-CB 3.28Å; M351-L354 PolarHBondContact O-N 2.87Å; M351-L355 PolarHBondContact O-N 3.45Å |
| 352 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -55.8 | -47 | -172.1 | -87.7 | 7.7 | 0 | 0 | 0 | 114 | G160 M161 M175 L287 N290 W291 L348 Y349 L354 L355 C356 | G160-Y352 VanDerWaalsContact O-CE2 3.32Å; G160-Y352 WeakPolarHBondContact O-CE2 3.42Å; M161-Y352 HydrophobicContact SD-CD2 4.19Å; M161-Y352 HydrophobicContact SD-CG 4.5Å; M175-Y352 HydrophobicContact SD-CD2 4.07Å; M175-Y352 HydrophobicContact SD-CG 4.41Å; L287-Y352 HydrophobicContact CD2-CE1 4.07Å; N290-Y352 PolarHBondContact ND2-OH 3.08Å; W291-Y352 WeakPolarHBondContact CH2-O 3.27Å; W291-Y352 HydrophobicContact CZ2-CD1 4.3Å; W291-Y352 HydrophobicContact CZ2-CD2 4.18Å; W291-Y352 AromaticContact CZ2-CG 3.79Å; W291-Y352 HydrophobicContact CZ2-CG 3.79Å; W291-Y352 WeakPolarHBondContact CZ2-O 3.31Å; W291-Y352 AromaticContact NE1-CD1 3.41Å; W291-Y352 AromaticContact NE1-CE1 3.51Å; W291-Y352 AromaticContact NE1-CG 3.67Å; W291-Y352 AromaticContact NE1-CZ 3.9Å; L348-Y352 HydrophobicContact CB-CD1 4.41Å; L348-Y352 HydrophobicContact CB-CE1 3.61Å; L348-Y352 WeakPolarHBondContact O-CD1 3.32Å; L348-Y352 WeakPolarHBondContact O-CE1 3.37Å; Y349-Y352 HydrophobicContact CD1-CD2 4.1Å; Y349-Y352 HydrophobicContact CD1-CE1 4.41Å; Y349-Y352 AromaticContact CD1-CE2 3.34Å; Y349-Y352 HydrophobicContact CD1-CE2 3.34Å; Y349-Y352 AromaticContact CD1-CZ 3.54Å; Y349-Y352 AromaticContact CE1-CE2 3.79Å; Y349-Y352 HydrophobicContact CE1-CE2 3.79Å; Y349-Y352 AromaticContact CE1-CZ 3.96Å; Y349-Y352 HydrophobicContact CG-CE2 4.25Å; Y349-Y352 VanDerWaalsContact O-CB 3.31Å; Y349-Y352 WeakPolarHBondContact O-CB 3.46Å; Y349-Y352 PolarHBondContact O-N 3.41Å; Y352-L354 PolarHBondContact O-N 2.91Å; Y352-L355 WeakPolarHBondContact O-CB 3.29Å; Y352-L355 PolarHBondContact O-N 3.32Å; Y352-C356 PolarHBondContact O-N 2.88Å |
| 353 | S | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.014 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.8 | -32.1 | 176 | -55 | 0 | 0 | 0 | 0 | 112.5 | T179 M351 C356 V357 | T179-S353 VanDerWaalsContact OG1-CB 3.23Å; T179-S353 WeakPolarHBondContact OG1-CB 3.29Å; T179-S353 PolarHBondContact OG1-OG 3.39Å; M351-S353 PolarHBondContact O-N 3.37Å; S353-C356 WeakPolarHBondContact O-CB 3.43Å; S353-C356 PolarHBondContact O-N 3.18Å; S353-V357 WeakPolarHBondContact O-CG2 3.18Å; S353-V357 PolarHBondContact O-N 3.24Å |
| 354 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -73.6 | -36.9 | 177.7 | -50.8 | -173.7 | 0 | 0 | 0 | 111.8 | Y182 L211 M330 M351 Y352 C356 V357 N358 | Y182-L354 HydrophobicContact CD1-CD2 3.33Å; Y182-L354 HydrophobicContact CD2-CD2 3.96Å; Y182-L354 HydrophobicContact CE1-CD1 3.9Å; Y182-L354 HydrophobicContact CE1-CD2 3.47Å; Y182-L354 VanDerWaalsContact CE1-CD2 3.47Å; Y182-L354 HydrophobicContact CE1-CG 4.33Å; Y182-L354 HydrophobicContact CE2-CD1 4.03Å; Y182-L354 HydrophobicContact CE2-CD2 4.1Å; Y182-L354 HydrophobicContact CG-CD2 3.6Å; L211-L354 HydrophobicContact CD2-CD1 3.9Å; M330-L354 HydrophobicContact CB-CB 4.25Å; M351-L354 CarbonylContact O-C 3.56Å; M351-L354 WeakPolarHBondContact O-CA 3.19Å; M351-L354 WeakPolarHBondContact O-CB 3.28Å; M351-L354 PolarHBondContact O-N 2.87Å; Y352-L354 PolarHBondContact O-N 2.91Å; L354-C356 VanDerWaalsContact C-N 3.3Å; L354-C356 PolarHBondContact O-N 3.3Å; L354-V357 PolarHBondContact O-N 3.43Å; L354-N358 WeakPolarHBondContact O-CB 3.44Å; L354-N358 PolarHBondContact O-N 2.85Å |
| 355 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 170.4 | -175 | 165.8 | 0 | 0 | 0 | 110.1 | L287 W291 F295 A298 M330 M351 Y352 V357 N358 A359 | L287-L355 HydrophobicContact CD2-CD1 3.81Å; W291-L355 HydrophobicContact CB-CD1 4.46Å; W291-L355 HydrophobicContact CB-CD2 4.05Å; W291-L355 HydrophobicContact CD2-CD1 4.29Å; W291-L355 HydrophobicContact CD2-CD2 3.55Å; W291-L355 HydrophobicContact CD2-CG 4.47Å; W291-L355 HydrophobicContact CE3-CD2 3.55Å; W291-L355 HydrophobicContact CG-CD1 3.98Å; W291-L355 HydrophobicContact CG-CD2 3.78Å; W291-L355 HydrophobicContact CZ3-CD2 4.23Å; F295-L355 HydrophobicContact CD2-CD1 4.08Å; A298-L355 HydrophobicContact CB-CD2 3.98Å; A298-L355 HydrophobicContact CB-CG 3.85Å; A298-L355 WeakPolarHBondContact CB-O 3.42Å; M330-L355 HydrophobicContact CG-CB 4.41Å; M330-L355 HydrophobicContact SD-CB 4.01Å; M330-L355 HydrophobicContact SD-CG 4.13Å; M351-L355 PolarHBondContact O-N 3.45Å; Y352-L355 WeakPolarHBondContact O-CB 3.29Å; Y352-L355 PolarHBondContact O-N 3.32Å; L355-V357 PolarHBondContact O-N 2.8Å; L355-N358 PolarHBondContact O-N 3.1Å; L355-A359 WeakPolarHBondContact O-CB 3.32Å; L355-A359 PolarHBondContact O-N 3.25Å |
| 356 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 176.6 | -165.5 | 0 | 0 | 0 | 0 | 112.7 | W291 Y352 S353 L354 A359 A360 | W291-C356 HydrophobicContact CH2-CB 3.79Å; W291-C356 HydrophobicContact CZ3-CB 3.6Å; Y352-C356 PolarHBondContact O-N 2.88Å; S353-C356 WeakPolarHBondContact O-CB 3.43Å; S353-C356 PolarHBondContact O-N 3.18Å; L354-C356 VanDerWaalsContact C-N 3.3Å; L354-C356 PolarHBondContact O-N 3.3Å; C356-A359 PolarHBondContact O-N 3.09Å; C356-A360 WeakPolarHBondContact O-CB 3.34Å; C356-A360 PolarHBondContact O-N 3.25Å |
| 357 | V | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.012 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L135 L139 M151 V326 S353 L354 L355 A360 M361 | L135-V357 HydrophobicContact CD2-CG2 4.04Å; L139-V357 HydrophobicContact CD1-CG1 4.26Å; L139-V357 HydrophobicContact CD2-CG1 4.46Å; L139-V357 HydrophobicContact CD2-CG2 4.28Å; M151-V357 HydrophobicContact CE-CG2 4.04Å; M151-V357 HydrophobicContact SD-CG2 3.6Å; M151-V357 VanDerWaalsContact SD-CG2 3.6Å; V326-V357 HydrophobicContact CG1-CG1 3.69Å; S353-V357 WeakPolarHBondContact O-CG2 3.18Å; S353-V357 PolarHBondContact O-N 3.24Å; L354-V357 PolarHBondContact O-N 3.43Å; L355-V357 PolarHBondContact O-N 2.8Å; V357-A360 PolarHBondContact O-N 2.96Å; V357-M361 HydrophobicContact CG1-CE 3.61Å; V357-M361 HydrophobicContact CG1-SD 4.23Å; V357-M361 WeakPolarHBondContact O-CG 2.97Å; V357-M361 PolarHBondContact O-N 3.12Å |
| 358 | N | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.8 | -75.9 | 6.5 | 0 | 0 | 0 | 111.7 | A298 C301 Q327 M330 L354 L355 A360 M361 S362 | A298-N358 HydrophobicContact CB-CB 3.93Å; C301-N358 HydrophobicContact CB-CB 4.24Å; Q327-N358 VanDerWaalsContact CA-OD1 3.3Å; Q327-N358 WeakPolarHBondContact CA-OD1 3.27Å; Q327-N358 WeakPolarHBondContact CB-OD1 3.48Å; Q327-N358 PolarHBondContact O-ND2 3.14Å; M330-N358 WeakPolarHBondContact CB-ND2 3.33Å; M330-N358 HydrophobicContact CE-CB 4.4Å; M330-N358 VanDerWaalsContact CE-ND2 3.33Å; M330-N358 WeakPolarHBondContact CE-ND2 3.17Å; M330-N358 HydrophobicContact SD-CB 3.97Å; M330-N358 PolarHBondContact SD-ND2 3.39Å; M330-N358 VanDerWaalsContact SD-ND2 3.36Å; L354-N358 WeakPolarHBondContact O-CB 3.44Å; L354-N358 PolarHBondContact O-N 2.85Å; L355-N358 PolarHBondContact O-N 3.1Å; N358-A360 VanDerWaalsContact C-N 3.31Å; N358-A360 PolarHBondContact O-N 2.98Å; N358-M361 PolarHBondContact O-N 3.17Å; N358-S362 PolarHBondContact O-N 3.32Å; N358-S362 PolarHBondContact O-OG 3.49Å |
| 359 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M154 A294 L297 A298 L355 C356 S362 L363 | M154-A359 HydrophobicContact CE-CB 3.91Å; M154-A359 HydrophobicContact SD-CB 3.89Å; A294-A359 HydrophobicContact CB-CB 3.89Å; A294-A359 VanDerWaalsContact O-CB 3.3Å; A294-A359 WeakPolarHBondContact O-CB 3.05Å; L297-A359 HydrophobicContact CB-CB 4.12Å; A298-A359 HydrophobicContact CB-CB 4.24Å; L355-A359 WeakPolarHBondContact O-CB 3.32Å; L355-A359 PolarHBondContact O-N 3.25Å; C356-A359 PolarHBondContact O-N 3.09Å; A359-S362 PolarHBondContact O-N 2.95Å; A359-L363 WeakPolarHBondContact O-CB 3.25Å; A359-L363 PolarHBondContact O-N 3.21Å |
| 360 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L147 M151 M154 C356 V357 N358 L363 H364 | L147-A360 HydrophobicContact CD2-CB 4.1Å; L147-A360 HydrophobicContact CG-CB 4.42Å; M151-A360 HydrophobicContact CB-CB 3.82Å; M154-A360 HydrophobicContact CE-CB 3.74Å; C356-A360 WeakPolarHBondContact O-CB 3.34Å; C356-A360 PolarHBondContact O-N 3.25Å; V357-A360 PolarHBondContact O-N 2.96Å; N358-A360 VanDerWaalsContact C-N 3.31Å; N358-A360 PolarHBondContact O-N 2.98Å; A360-L363 PolarHBondContact O-N 3.04Å; A360-H364 WeakPolarHBondContact O-CB 3.45Å; A360-H364 PolarHBondContact O-N 3.34Å |
| 361 | M | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 172.4 | -78.2 | 178.8 | -176.5 | 0 | 0 | 111.3 | F143 L147 A323 V326 V357 N358 L363 H364 L365 | F143-M361 HydrophobicContact CD1-CE 4.37Å; F143-M361 HydrophobicContact CE1-CE 3.75Å; F143-M361 HydrophobicContact CE2-CE 4.18Å; F143-M361 HydrophobicContact CZ-CE 3.63Å; L147-M361 HydrophobicContact CD1-CB 4.49Å; L147-M361 HydrophobicContact CD1-CG 3.75Å; L147-M361 HydrophobicContact CG-CG 4.42Å; A323-M361 HydrophobicContact CB-CE 4.36Å; A323-M361 HydrophobicContact CB-SD 4.5Å; V326-M361 HydrophobicContact CB-CE 4.18Å; V326-M361 HydrophobicContact CG1-CE 3.81Å; V357-M361 HydrophobicContact CG1-CE 3.61Å; V357-M361 HydrophobicContact CG1-SD 4.23Å; V357-M361 WeakPolarHBondContact O-CG 2.97Å; V357-M361 PolarHBondContact O-N 3.12Å; N358-M361 PolarHBondContact O-N 3.17Å; M361-L363 PolarHBondContact O-N 3.16Å; M361-H364 WeakPolarHBondContact O-CB 3.37Å; M361-H364 PolarHBondContact O-N 3.2Å; M361-L365 WeakPolarHBondContact O-CG 3.13Å; M361-L365 PolarHBondContact O-N 2.74Å |
| 362 | S | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 178.4 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | L297 C301 N358 A359 H364 L365 L366 | L297-S362 WeakPolarHBondContact O-CB 3.08Å; L297-S362 PolarHBondContact O-OG 3.15Å; C301-S362 WeakPolarHBondContact CA-OG 3.42Å; C301-S362 VanDerWaalsContact CB-OG 3.3Å; C301-S362 WeakPolarHBondContact CB-OG 3.43Å; C301-S362 PolarHBondContact N-OG 3.05Å; N358-S362 PolarHBondContact O-N 3.32Å; N358-S362 PolarHBondContact O-OG 3.49Å; A359-S362 PolarHBondContact O-N 2.95Å; S362-H364 VanDerWaalsContact C-N 3.29Å; S362-H364 PolarHBondContact O-N 2.68Å; S362-L365 PolarHBondContact O-N 3.5Å; S362-L366 WeakPolarHBondContact O-CB 3.38Å; S362-L366 VanDerWaalsContact O-CG 3.3Å; S362-L366 WeakPolarHBondContact O-CG 2.96Å; S362-L366 PolarHBondContact O-N 2.94Å |
| 363 | L | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.5 | -35.9 | 177.6 | -167.7 | 59.6 | 0 | 0 | 0 | 111.9 | Y150 A359 A360 M361 S367 V388 I391 L392 | Y150-L363 HydrophobicContact CD1-CD2 4.36Å; Y150-L363 HydrophobicContact CD2-CB 3.92Å; Y150-L363 HydrophobicContact CD2-CD2 3.93Å; Y150-L363 HydrophobicContact CD2-CG 3.91Å; Y150-L363 HydrophobicContact CE2-CB 4.28Å; Y150-L363 HydrophobicContact CE2-CD2 4.35Å; Y150-L363 HydrophobicContact CE2-CG 4.01Å; Y150-L363 HydrophobicContact CG-CD2 3.92Å; Y150-L363 HydrophobicContact CG-CG 4.41Å; A359-L363 WeakPolarHBondContact O-CB 3.25Å; A359-L363 PolarHBondContact O-N 3.21Å; A360-L363 PolarHBondContact O-N 3.04Å; M361-L363 PolarHBondContact O-N 3.16Å; L363-S367 WeakPolarHBondContact O-CB 3.22Å; L363-S367 PolarHBondContact O-N 3.27Å; L363-V388 HydrophobicContact CD1-CB 4.39Å; L363-V388 HydrophobicContact CD1-CG1 4.22Å; L363-V388 HydrophobicContact CD1-CG2 3.96Å; L363-V388 HydrophobicContact CD2-CG1 3.87Å; L363-V388 HydrophobicContact CG-CG1 3.95Å; L363-V388 HydrophobicContact CG-CG2 4.23Å; L363-I391 HydrophobicContact CD1-CB 4.5Å; L363-I391 HydrophobicContact CD1-CD1 3.97Å; L363-I391 HydrophobicContact CD1-CG2 4.24Å; L363-L392 HydrophobicContact CD2-CD1 4.25Å; L363-L392 HydrophobicContact CD2-CD2 3.67Å; L363-L392 HydrophobicContact CD2-CG 3.89Å |
| 364 | H | 94.5 | Very high | 92.3 | Very high | 18 Ų | 18 | 18.1 Ų | 18.1 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 171.8 | -176.9 | 70.9 | 0 | 0 | 0 | 112.2 | C144 L147 Y150 A360 M361 S362 S367 L368 | C144-H364 VanDerWaalsContact SG-CE1 3.56Å; L147-H364 HydrophobicContact CB-CB 4.24Å; L147-H364 HydrophobicContact CD1-CB 4.42Å; L147-H364 HydrophobicContact CG-CB 4.32Å; Y150-H364 HydrophobicContact CD2-CB 4.4Å; Y150-H364 HydrophobicContact CE2-CB 4.23Å; A360-H364 WeakPolarHBondContact O-CB 3.45Å; A360-H364 PolarHBondContact O-N 3.34Å; M361-H364 WeakPolarHBondContact O-CB 3.37Å; M361-H364 PolarHBondContact O-N 3.2Å; S362-H364 VanDerWaalsContact C-N 3.29Å; S362-H364 PolarHBondContact O-N 2.68Å; H364-S367 WeakPolarHBondContact O-CB 3.24Å; H364-S367 PolarHBondContact O-N 3.1Å; H364-L368 WeakPolarHBondContact O-CG 3.42Å; H364-L368 PolarHBondContact O-N 3.22Å |
| 365 | L | 93 | Very high | 91.1 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.7 | -70.7 | 170.9 | 0 | 0 | 0 | 111.5 | L304 M305 M316 L319 M361 S362 S367 L368 F369 | L304-L365 HydrophobicContact CB-CB 4.11Å; L304-L365 HydrophobicContact CB-CD1 3.76Å; L304-L365 HydrophobicContact CD1-CB 4.3Å; M305-L365 HydrophobicContact CG-CD1 3.69Å; M316-L365 HydrophobicContact CE-CD2 4.38Å; L319-L365 HydrophobicContact CD1-CD1 4.11Å; L319-L365 HydrophobicContact CD1-CD2 4.03Å; L319-L365 HydrophobicContact CD1-CG 4.15Å; L319-L365 HydrophobicContact CG-CD2 4.36Å; M361-L365 WeakPolarHBondContact O-CG 3.13Å; M361-L365 PolarHBondContact O-N 2.74Å; S362-L365 PolarHBondContact O-N 3.5Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.82Å; L365-L368 WeakPolarHBondContact O-CB 3.33Å; L365-L368 PolarHBondContact O-N 2.61Å; L365-L368 VanDerWaalsContact O-N 3.08Å; L365-F369 HydrophobicContact CB-CD2 4.34Å; L365-F369 HydrophobicContact CB-CE2 4.18Å; L365-F369 WeakPolarHBondContact O-CD2 3.49Å; L365-F369 PolarHBondContact O-N 3.4Å |
| 366 | L | 93.1 | Very high | 89.7 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.8 | -42.6 | 175.6 | -73.5 | 171.2 | 0 | 0 | 0 | 112 | L297 L304 S362 L368 F369 G370 | L297-L366 HydrophobicContact CD2-CD1 3.7Å; L304-L366 HydrophobicContact CD1-CD1 4.38Å; L304-L366 HydrophobicContact CD1-CD2 4.08Å; L304-L366 HydrophobicContact CD1-CG 3.79Å; L304-L366 HydrophobicContact CD2-CD2 3.75Å; L304-L366 HydrophobicContact CD2-CG 4.32Å; S362-L366 WeakPolarHBondContact O-CB 3.38Å; S362-L366 VanDerWaalsContact O-CG 3.3Å; S362-L366 WeakPolarHBondContact O-CG 2.96Å; S362-L366 PolarHBondContact O-N 2.94Å; L366-L368 VanDerWaalsContact C-N 3.33Å; L366-L368 PolarHBondContact O-N 3.12Å; L366-F369 PolarHBondContact O-N 3.47Å; L366-G370 PolarHBondContact O-N 2.84Å |
| 367 | S | 91 | Very high | 88.2 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | L363 H364 L365 N371 | L363-S367 WeakPolarHBondContact O-CB 3.22Å; L363-S367 PolarHBondContact O-N 3.27Å; H364-S367 WeakPolarHBondContact O-CB 3.24Å; H364-S367 PolarHBondContact O-N 3.1Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.82Å; S367-N371 WeakPolarHBondContact O-CB 3.37Å; S367-N371 VanDerWaalsContact O-CG 3.26Å; S367-N371 PolarHBondContact O-N 2.71Å; S367-N371 VanDerWaalsContact O-N 3.08Å; S367-N371 PolarHBondContact O-ND2 2.79Å |
| 368 | L | 88.7 | Confident | 86.4 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.9 | -68.1 | 178.5 | 0 | 0 | 0 | 112.3 | M316 P317 H364 L365 L366 N371 Y372 | M316-L368 HydrophobicContact CE-CB 3.27Å; M316-L368 HydrophobicContact CE-CD1 3.89Å; M316-L368 HydrophobicContact CE-CG 4.24Å; M316-L368 HydrophobicContact CG-CB 4.3Å; M316-L368 HydrophobicContact CG-CD1 4.49Å; M316-L368 HydrophobicContact SD-CB 3.93Å; P317-L368 HydrophobicContact CB-CD1 4.42Å; P317-L368 HydrophobicContact CG-CD2 4.39Å; H364-L368 WeakPolarHBondContact O-CG 3.42Å; H364-L368 PolarHBondContact O-N 3.22Å; L365-L368 WeakPolarHBondContact O-CB 3.33Å; L365-L368 PolarHBondContact O-N 2.61Å; L365-L368 VanDerWaalsContact O-N 3.08Å; L366-L368 VanDerWaalsContact C-N 3.33Å; L366-L368 PolarHBondContact O-N 3.12Å; L368-N371 PolarHBondContact O-N 2.64Å; L368-Y372 VanDerWaalsContact O-CB 3.31Å; L368-Y372 WeakPolarHBondContact O-CB 3.41Å; L368-Y372 PolarHBondContact O-N 3.44Å |
| 369 | F | 88.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 16% | 0.158 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.7 | -78.3 | -66.4 | 0 | 0 | 0 | 111.6 | L304 C307 K308 V312 M316 L365 L366 N371 Y372 M373 | L304-F369 HydrophobicContact CB-CE2 4.16Å; L304-F369 HydrophobicContact CD2-CD2 4.02Å; L304-F369 HydrophobicContact CD2-CE2 3.81Å; L304-F369 WeakPolarHBondContact O-CZ 3.32Å; C307-F369 HydrophobicContact CB-CZ 4.03Å; K308-F369 HydrophobicContact CB-CE1 4.39Å; K308-F369 HydrophobicContact CB-CZ 3.75Å; V312-F369 HydrophobicContact CG2-CD1 4.1Å; V312-F369 HydrophobicContact CG2-CE1 3.52Å; M316-F369 HydrophobicContact CE-CD1 4.25Å; M316-F369 HydrophobicContact CE-CD2 4.25Å; M316-F369 HydrophobicContact CE-CE1 4.32Å; M316-F369 HydrophobicContact CE-CE2 4.27Å; M316-F369 HydrophobicContact CE-CG 4.22Å; M316-F369 HydrophobicContact CE-CZ 4.31Å; M316-F369 HydrophobicContact SD-CD1 4.3Å; L365-F369 HydrophobicContact CB-CD2 4.34Å; L365-F369 HydrophobicContact CB-CE2 4.18Å; L365-F369 WeakPolarHBondContact O-CD2 3.49Å; L365-F369 PolarHBondContact O-N 3.4Å; L366-F369 PolarHBondContact O-N 3.47Å; F369-N371 PolarHBondContact O-N 3.1Å; F369-Y372 PolarHBondContact O-N 3.01Å; F369-M373 VanDerWaalsContact O-CG 3.28Å; F369-M373 WeakPolarHBondContact O-CG 3.21Å; F369-M373 PolarHBondContact O-N 3.39Å |
| 370 | G | 86.1 | Confident | 82.3 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L366 Y372 M373 L374 C384 | L366-G370 PolarHBondContact O-N 2.84Å; G370-Y372 PolarHBondContact O-N 2.9Å; G370-M373 PolarHBondContact O-N 3.48Å; G370-L374 WeakPolarHBondContact O-CB 3.36Å; G370-L374 WeakPolarHBondContact O-CG 3.22Å; G370-L374 PolarHBondContact O-N 2.97Å; G370-C384 WeakPolarHBondContact CA-SG 3.4Å |
| 371 | N | 83.7 | Confident | 80.4 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 176.7 | -74.1 | -40.2 | 0 | 0 | 0 | 112.7 | S367 L368 F369 K375 S381 | S367-N371 WeakPolarHBondContact O-CB 3.37Å; S367-N371 VanDerWaalsContact O-CG 3.26Å; S367-N371 PolarHBondContact O-N 2.71Å; S367-N371 VanDerWaalsContact O-N 3.08Å; S367-N371 PolarHBondContact O-ND2 2.79Å; L368-N371 PolarHBondContact O-N 2.64Å; F369-N371 PolarHBondContact O-N 3.1Å; N371-K375 VanDerWaalsContact O-CB 3.23Å; N371-K375 WeakPolarHBondContact O-CB 3.47Å; N371-K375 PolarHBondContact O-N 3.02Å; N371-S381 PolarHBondContact OD1-O 3.02Å |
| 372 | Y | 82.6 | Confident | 78.5 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 18% | 0.184 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176 | 177 | -97.9 | 0 | 0 | 0 | 111.7 | V312 L368 F369 G370 K376 | V312-Y372 HydrophobicContact CG1-CD2 4.44Å; V312-Y372 HydrophobicContact CG1-CE1 4.36Å; V312-Y372 HydrophobicContact CG1-CE2 4.19Å; L368-Y372 VanDerWaalsContact O-CB 3.31Å; L368-Y372 WeakPolarHBondContact O-CB 3.41Å; L368-Y372 PolarHBondContact O-N 3.44Å; F369-Y372 PolarHBondContact O-N 3.01Å; G370-Y372 PolarHBondContact O-N 2.9Å; Y372-K376 HydrophobicContact CE1-CD 4.22Å; Y372-K376 VanDerWaalsContact CZ-CE 3.43Å; Y372-K376 PolarHBondContact O-N 3.05Å; Y372-K376 WeakPolarHBondContact OH-CE 3.4Å; Y372-K376 PolarHBondContact OH-NZ 2.95Å; Y372-K376 VanDerWaalsContact OH-NZ 3.1Å |
| 373 | M | 80.6 | Confident | 76.8 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 177.6 | -66.9 | -66.2 | -94.2 | 0 | 0 | 112.4 | F369 G370 K376 R377 | F369-M373 VanDerWaalsContact O-CG 3.28Å; F369-M373 WeakPolarHBondContact O-CG 3.21Å; F369-M373 PolarHBondContact O-N 3.39Å; G370-M373 PolarHBondContact O-N 3.48Å; M373-K376 WeakPolarHBondContact O-CB 3.46Å; M373-K376 PolarHBondContact O-N 3.38Å; M373-R377 PolarHBondContact O-N 2.98Å |
| 374 | L | 78.7 | Confident | 75.5 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.1 | -39 | 177.2 | -70.4 | 178.1 | 0 | 0 | 0 | 112.7 | G370 K376 R377 K378 T379 C384 | G370-L374 WeakPolarHBondContact O-CB 3.36Å; G370-L374 WeakPolarHBondContact O-CG 3.22Å; G370-L374 PolarHBondContact O-N 2.97Å; L374-K376 VanDerWaalsContact C-N 3.28Å; L374-K376 PolarHBondContact O-N 3.37Å; L374-R377 CarbonylContact O-C 3.14Å; L374-R377 WeakPolarHBondContact O-CA 3.45Å; L374-R377 PolarHBondContact O-N 2.97Å; L374-K378 PolarHBondContact O-N 3Å; L374-T379 PolarHBondContact O-N 2.9Å; L374-C384 WeakPolarHBondContact CD1-SG 3.4Å |
| 375 | K | 73.5 | Confident | 74.8 | Confident | 179 Ų | 179 | 76.1 Ų | 76.1 | 78% | 0.778 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.1 | -36 | 175.3 | -170.6 | 175.3 | -177.4 | 176.9 | 0 | 111.7 | N371 R377 | N371-K375 VanDerWaalsContact O-CB 3.23Å; N371-K375 WeakPolarHBondContact O-CB 3.47Å; N371-K375 PolarHBondContact O-N 3.02Å; K375-R377 VanDerWaalsContact C-N 3.25Å; K375-R377 PolarHBondContact O-N 3.38Å |
| 376 | K | 68.4 | Low | 74.4 | Confident | 139 Ų | 139 | 83.4 Ų | 83.4 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -31.8 | 169.9 | -79.6 | -173.4 | 176.6 | 178.4 | 0 | 112.5 | Y372 M373 L374 | Y372-K376 HydrophobicContact CE1-CD 4.22Å; Y372-K376 VanDerWaalsContact CZ-CE 3.43Å; Y372-K376 PolarHBondContact O-N 3.05Å; Y372-K376 WeakPolarHBondContact OH-CE 3.4Å; Y372-K376 PolarHBondContact OH-NZ 2.95Å; Y372-K376 VanDerWaalsContact OH-NZ 3.1Å; M373-K376 WeakPolarHBondContact O-CB 3.46Å; M373-K376 PolarHBondContact O-N 3.38Å; L374-K376 VanDerWaalsContact C-N 3.28Å; L374-K376 PolarHBondContact O-N 3.37Å |
| 377 | R | 66.4 | Low | 74.3 | Confident | 196 Ų | 196 | 86.4 Ų | 86.4 | 74% | 0.74 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 15.3 | -176.9 | -71.7 | -171.6 | 174.9 | -179.8 | -0.9 | 115.2 | M373 L374 K375 T379 | M373-R377 PolarHBondContact O-N 2.98Å; L374-R377 CarbonylContact O-C 3.14Å; L374-R377 WeakPolarHBondContact O-CA 3.45Å; L374-R377 PolarHBondContact O-N 2.97Å; K375-R377 VanDerWaalsContact C-N 3.25Å; K375-R377 PolarHBondContact O-N 3.38Å; R377-T379 PolarHBondContact O-N 3.14Å; R377-T379 PolarHBondContact O-OG1 3.28Å |
| 378 | K | 62.2 | Low | 74.4 | Confident | 210 Ų | 210 | 86.5 Ų | 86.5 | 91% | 0.913 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 24.5 | -178 | -70.9 | -173.4 | 178.2 | 179 | 0 | 114.3 | L374 | L374-K378 PolarHBondContact O-N 3Š|
| 379 | T | 55.1 | Low | 74.6 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | trans | -105.4 | 149.1 | -177 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | L374 R377 S381 | L374-T379 PolarHBondContact O-N 2.9Å; R377-T379 PolarHBondContact O-N 3.14Å; R377-T379 PolarHBondContact O-OG1 3.28Å; T379-S381 PolarHBondContact O-N 2.98Å | ||
| 380 | I | 55.6 | Low | 74.9 | Confident | 122 Ų | 122 | 92.7 Ų | 92.7 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | trans | -41.7 | 122.8 | -174.4 | -64.7 | 165.4 | 0 | 0 | 0 | 112.7 | T382 | I380-T382 WeakPolarHBondContact CG2-OG1 3.33Å; I380-T382 PolarHBondContact O-N 3.03Å; I380-T382 VanDerWaalsContact O-N 3.14Å | ||
| 381 | S | 56.8 | Low | 75.4 | Confident | 86 Ų | 86 | 93.1 Ų | 93.1 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -8 | -174.1 | -175.8 | 0 | 0 | 0 | 0 | 115.4 | N371 T379 | N371-S381 PolarHBondContact OD1-O 3.02Å; T379-S381 PolarHBondContact O-N 2.98Å |
| 382 | T | 57.5 | Low | 76 | Confident | 75 Ų | 75 | 92.4 Ų | 92.4 | 46% | 0.46 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -19.3 | -172.1 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | I380 C384 N385 Y386 | I380-T382 WeakPolarHBondContact CG2-OG1 3.33Å; I380-T382 PolarHBondContact O-N 3.03Å; I380-T382 VanDerWaalsContact O-N 3.14Å; T382-C384 PolarHBondContact O-N 2.68Å; T382-N385 PolarHBondContact O-N 2.96Å; T382-Y386 VanDerWaalsContact O-CD2 3.28Å; T382-Y386 WeakPolarHBondContact O-CD2 3.44Å |
| 383 | S | 60.9 | Low | 76.7 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 45% | 0.448 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | -172 | -57.3 | 0 | 0 | 0 | 0 | 114.9 | N385 Y386 F387 | S383-N385 VanDerWaalsContact C-N 3.32Å; S383-N385 PolarHBondContact O-N 3.44Å; S383-Y386 PolarHBondContact O-N 3.3Å; S383-F387 PolarHBondContact O-N 2.98Å |
| 384 | C | 68.7 | Low | 77.4 | Confident | 18 Ų | 18 | 88.9 Ų | 88.9 | 12% | 0.122 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.3 | -22.8 | -176.7 | -71.5 | 0 | 0 | 0 | 0 | 114.2 | G370 L374 T382 V388 | G370-C384 WeakPolarHBondContact CA-SG 3.4Å; L374-C384 WeakPolarHBondContact CD1-SG 3.4Å; T382-C384 PolarHBondContact O-N 2.68Å; C384-V388 WeakPolarHBondContact O-CG2 3.43Å; C384-V388 PolarHBondContact O-N 3.07Å |
| 385 | N | 79.9 | Confident | 78.4 | Confident | 70 Ų | 70 | 87.1 Ų | 87.1 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.4 | -36.9 | 175.1 | -68.2 | -22.6 | 0 | 0 | 0 | 110.9 | T382 S383 F387 V388 S389 | T382-N385 PolarHBondContact O-N 2.96Å; S383-N385 VanDerWaalsContact C-N 3.32Å; S383-N385 PolarHBondContact O-N 3.44Å; N385-F387 PolarHBondContact O-N 3.31Å; N385-V388 PolarHBondContact O-N 3.32Å; N385-S389 PolarHBondContact O-N 2.86Å; N385-S389 PolarHBondContact O-OG 3.44Å |
| 386 | Y | 85.4 | Confident | 79.5 | Confident | 156 Ų | 156 | 79.1 Ų | 79.1 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 174.7 | -68.6 | -76.1 | 0 | 0 | 0 | 112.1 | T382 S383 V388 S389 I390 | T382-Y386 VanDerWaalsContact O-CD2 3.28Å; T382-Y386 WeakPolarHBondContact O-CD2 3.44Å; S383-Y386 PolarHBondContact O-N 3.3Å; Y386-V388 VanDerWaalsContact C-N 3.34Å; Y386-V388 PolarHBondContact O-N 3.23Å; Y386-S389 PolarHBondContact O-N 3.38Å; Y386-I390 VanDerWaalsContact O-CG1 3.29Å; Y386-I390 WeakPolarHBondContact O-CG1 3.5Å; Y386-I390 PolarHBondContact O-N 2.99Å |
| 387 | F | 90 | Very high | 80.8 | Confident | 112 Ų | 112 | 78 Ų | 78 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 175.9 | 175.4 | -105.9 | 0 | 0 | 0 | 112.3 | S383 N385 I390 I391 | S383-F387 PolarHBondContact O-N 2.98Å; N385-F387 PolarHBondContact O-N 3.31Å; F387-I390 PolarHBondContact O-N 3.02Å; F387-I391 HydrophobicContact CD1-CD1 3.98Å; F387-I391 HydrophobicContact CE1-CD1 3.37Å; F387-I391 HydrophobicContact CE2-CD1 4.03Å; F387-I391 HydrophobicContact CZ-CD1 3.42Å; F387-I391 VanDerWaalsContact CZ-CD1 3.42Å; F387-I391 HydrophobicContact CZ-CG1 4.35Å; F387-I391 PolarHBondContact O-N 3.17Å; F387-I391 VanDerWaalsContact O-N 3.1Å |
| 388 | V | 92.6 | Very high | 82.2 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | Y150 L363 C384 N385 Y386 I390 I391 L392 | Y150-V388 HydrophobicContact CD1-CG1 4.22Å; Y150-V388 HydrophobicContact CE1-CG1 3.54Å; Y150-V388 HydrophobicContact CE2-CG1 4.29Å; L363-V388 HydrophobicContact CD1-CB 4.39Å; L363-V388 HydrophobicContact CD1-CG1 4.22Å; L363-V388 HydrophobicContact CD1-CG2 3.96Å; L363-V388 HydrophobicContact CD2-CG1 3.87Å; L363-V388 HydrophobicContact CG-CG1 3.95Å; L363-V388 HydrophobicContact CG-CG2 4.23Å; C384-V388 WeakPolarHBondContact O-CG2 3.43Å; C384-V388 PolarHBondContact O-N 3.07Å; N385-V388 PolarHBondContact O-N 3.32Å; Y386-V388 VanDerWaalsContact C-N 3.34Å; Y386-V388 PolarHBondContact O-N 3.23Å; V388-I390 VanDerWaalsContact C-N 3.32Å; V388-I390 PolarHBondContact O-N 2.85Å; V388-I391 PolarHBondContact O-N 3.33Å; V388-L392 HydrophobicContact CG1-CD1 3.94Å; V388-L392 HydrophobicContact CG1-CG 4.43Å; V388-L392 WeakPolarHBondContact O-CG 3.27Å; V388-L392 PolarHBondContact O-N 2.85Å |
| 389 | S | 92.9 | Very high | 83.9 | Confident | 72 Ų | 72 | 61 Ų | 61 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.8 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | N385 Y386 L392 A393 | N385-S389 PolarHBondContact O-N 2.86Å; N385-S389 PolarHBondContact O-OG 3.44Å; Y386-S389 PolarHBondContact O-N 3.38Å; S389-L392 PolarHBondContact O-N 2.95Å; S389-A393 VanDerWaalsContact O-CB 3.3Å; S389-A393 WeakPolarHBondContact O-CB 3.1Å; S389-A393 PolarHBondContact O-N 2.99Å |
| 390 | I | 94.8 | Very high | 85.8 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 176 | -69.3 | 163.9 | 0 | 0 | 0 | 110.8 | Y386 F387 V388 L392 A393 A394 | Y386-I390 VanDerWaalsContact O-CG1 3.29Å; Y386-I390 WeakPolarHBondContact O-CG1 3.5Å; Y386-I390 PolarHBondContact O-N 2.99Å; F387-I390 PolarHBondContact O-N 3.02Å; V388-I390 VanDerWaalsContact C-N 3.32Å; V388-I390 PolarHBondContact O-N 2.85Å; I390-L392 PolarHBondContact O-N 3.12Å; I390-A393 PolarHBondContact O-N 2.73Å; I390-A394 WeakPolarHBondContact O-CB 3.16Å; I390-A394 PolarHBondContact O-N 3.45Å |
| 391 | I | 96.5 | Very high | 87.7 | Confident | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 176.9 | -72 | 175 | 0 | 0 | 0 | 111.1 | V293 L297 L363 F387 V388 A394 F395 | V293-I391 HydrophobicContact CG2-CG2 4.22Å; L297-I391 HydrophobicContact CD1-CG2 3.79Å; L363-I391 HydrophobicContact CD1-CB 4.5Å; L363-I391 HydrophobicContact CD1-CD1 3.97Å; L363-I391 HydrophobicContact CD1-CG2 4.24Å; F387-I391 HydrophobicContact CD1-CD1 3.98Å; F387-I391 HydrophobicContact CE1-CD1 3.37Å; F387-I391 HydrophobicContact CE2-CD1 4.03Å; F387-I391 HydrophobicContact CZ-CD1 3.42Å; F387-I391 VanDerWaalsContact CZ-CD1 3.42Å; F387-I391 HydrophobicContact CZ-CG1 4.35Å; F387-I391 PolarHBondContact O-N 3.17Å; F387-I391 VanDerWaalsContact O-N 3.1Å; V388-I391 PolarHBondContact O-N 3.33Å; I391-A394 PolarHBondContact O-N 3.05Å; I391-F395 WeakPolarHBondContact O-CB 3.4Å; I391-F395 PolarHBondContact O-N 3.17Å |
| 392 | L | 97.2 | Very high | 89.6 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.3 | -35.4 | -179.3 | -70.3 | 176.5 | 0 | 0 | 0 | 112.3 | Y150 W153 M154 L363 V388 S389 I390 A396 | Y150-L392 HydrophobicContact CD1-CD1 3.85Å; Y150-L392 HydrophobicContact CE1-CD1 4.32Å; W153-L392 HydrophobicContact CB-CD2 4.45Å; W153-L392 HydrophobicContact CG-CB 4.43Å; W153-L392 HydrophobicContact CG-CD2 4.36Å; W153-L392 PolarHBondContact NE1-O 3.36Å; M154-L392 HydrophobicContact CG-CD2 4.18Å; L363-L392 HydrophobicContact CD2-CD1 4.25Å; L363-L392 HydrophobicContact CD2-CD2 3.67Å; L363-L392 HydrophobicContact CD2-CG 3.89Å; V388-L392 HydrophobicContact CG1-CD1 3.94Å; V388-L392 HydrophobicContact CG1-CG 4.43Å; V388-L392 WeakPolarHBondContact O-CG 3.27Å; V388-L392 PolarHBondContact O-N 2.85Å; S389-L392 PolarHBondContact O-N 2.95Å; I390-L392 PolarHBondContact O-N 3.12Å; L392-A396 WeakPolarHBondContact O-CB 3.41Å; L392-A396 PolarHBondContact O-N 3.34Å |
| 393 | A | 96.8 | Very high | 91.4 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S389 I390 F395 A396 I397 | S389-A393 VanDerWaalsContact O-CB 3.3Å; S389-A393 WeakPolarHBondContact O-CB 3.1Å; S389-A393 PolarHBondContact O-N 2.99Å; I390-A393 PolarHBondContact O-N 2.73Å; A393-F395 PolarHBondContact O-N 3.29Å; A393-A396 PolarHBondContact O-N 3.21Å; A393-I397 VanDerWaalsContact O-CG1 3.27Å; A393-I397 WeakPolarHBondContact O-CG1 3.5Å; A393-I397 PolarHBondContact O-N 3.19Å |
| 394 | A | 96.4 | Very high | 93 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I390 I391 A396 I397 V398 | I390-A394 WeakPolarHBondContact O-CB 3.16Å; I390-A394 PolarHBondContact O-N 3.45Å; I391-A394 PolarHBondContact O-N 3.05Å; A394-A396 PolarHBondContact O-N 2.98Å; A394-I397 PolarHBondContact O-N 3.07Å; A394-V398 WeakPolarHBondContact O-CB 3.16Å; A394-V398 VanDerWaalsContact O-CG2 3.25Å; A394-V398 WeakPolarHBondContact O-CG2 3.4Å; A394-V398 PolarHBondContact O-N 2.94Å |
| 395 | F | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.9 | -52.7 | 173.6 | 177.5 | -89 | 0 | 0 | 0 | 111.2 | M154 F157 A158 N292 V293 A294 I391 A393 S399 | M154-F395 VanDerWaalsContact CA-CE1 3.45Å; M154-F395 HydrophobicContact CB-CD1 4.36Å; M154-F395 HydrophobicContact CB-CE1 3.83Å; M154-F395 HydrophobicContact CB-CZ 3.94Å; M154-F395 HydrophobicContact CG-CD1 3.96Å; M154-F395 HydrophobicContact CG-CD2 4.32Å; M154-F395 HydrophobicContact CG-CE1 3.91Å; M154-F395 HydrophobicContact CG-CE2 4.31Å; M154-F395 HydrophobicContact CG-CG 4.2Å; M154-F395 HydrophobicContact CG-CZ 4.1Å; M154-F395 VanDerWaalsContact O-CE1 3.32Å; M154-F395 WeakPolarHBondContact O-CE1 3.44Å; F157-F395 HydrophobicContact CB-CD1 4.28Å; F157-F395 HydrophobicContact CB-CE1 3.93Å; A158-F395 HydrophobicContact CB-CZ 3.97Å; N292-F395 PolarHBondContact ND2-O 3.1Å; N292-F395 WeakPolarHBondContact OD1-CD2 3.39Å; N292-F395 VanDerWaalsContact OD1-CE2 3.3Å; N292-F395 WeakPolarHBondContact OD1-CE2 3.39Å; V293-F395 HydrophobicContact CG2-CB 3.71Å; V293-F395 HydrophobicContact CG2-CD2 3.95Å; V293-F395 HydrophobicContact CG2-CG 4.35Å; A294-F395 HydrophobicContact CB-CD2 3.72Å; A294-F395 HydrophobicContact CB-CE2 3.43Å; A294-F395 VanDerWaalsContact CB-CE2 3.43Å; A294-F395 HydrophobicContact CB-CZ 4.45Å; I391-F395 WeakPolarHBondContact O-CB 3.4Å; I391-F395 PolarHBondContact O-N 3.17Å; A393-F395 PolarHBondContact O-N 3.29Å; F395-S399 VanDerWaalsContact O-CB 3.3Å; F395-S399 WeakPolarHBondContact O-CB 3.25Å; F395-S399 PolarHBondContact O-N 3Å; F395-S399 PolarHBondContact O-OG 3.32Å |
| 396 | A | 97.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W153 F157 L392 A393 A394 L400 | W153-A396 HydrophobicContact CZ2-CB 4.33Å; F157-A396 HydrophobicContact CB-CB 4.29Å; F157-A396 HydrophobicContact CD1-CB 4.09Å; F157-A396 HydrophobicContact CD2-CB 3.59Å; F157-A396 HydrophobicContact CE1-CB 4.34Å; F157-A396 HydrophobicContact CE2-CB 3.87Å; F157-A396 HydrophobicContact CG-CB 3.72Å; F157-A396 HydrophobicContact CZ-CB 4.24Å; L392-A396 WeakPolarHBondContact O-CB 3.41Å; L392-A396 PolarHBondContact O-N 3.34Å; A393-A396 PolarHBondContact O-N 3.21Å; A394-A396 PolarHBondContact O-N 2.98Å; A396-L400 WeakPolarHBondContact O-CB 3.41Å; A396-L400 PolarHBondContact O-N 3.14Å |
| 397 | I | 96.3 | Very high | 95.2 | Very high | 117 Ų | 117 | 38 Ų | 38 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -62.6 | -48.6 | -179.8 | -67.5 | 165.6 | 0 | 0 | 0 | 110.6 | A393 A394 S401 | A393-I397 VanDerWaalsContact O-CG1 3.27Å; A393-I397 WeakPolarHBondContact O-CG1 3.5Å; A393-I397 PolarHBondContact O-N 3.19Å; A394-I397 PolarHBondContact O-N 3.07Å; I397-S401 WeakPolarHBondContact O-CB 3.18Å; I397-S401 PolarHBondContact O-N 3.18Å |
| 398 | V | 95.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 37.9 Ų | 37.9 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.7 | -42.8 | -177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | N292 A394 R402 F549 | N292-V398 HydrophobicContact CB-CG1 3.83Å; N292-V398 WeakPolarHBondContact ND2-CB 3.38Å; N292-V398 WeakPolarHBondContact ND2-CG1 3.49Å; A394-V398 WeakPolarHBondContact O-CB 3.16Å; A394-V398 VanDerWaalsContact O-CG2 3.25Å; A394-V398 WeakPolarHBondContact O-CG2 3.4Å; A394-V398 PolarHBondContact O-N 2.94Å; V398-R402 PolarHBondContact O-N 3.16Å; V398-F549 HydrophobicContact CG1-CD1 3.91Å; V398-F549 HydrophobicContact CG1-CE1 3.34Å; V398-F549 HydrophobicContact CG1-CZ 3.96Å |
| 399 | S | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | F157 T159 N292 F395 R402 S403 | F157-S399 WeakPolarHBondContact O-CB 3.36Å; T159-S399 WeakPolarHBondContact OG1-CA 3.31Å; T159-S399 WeakPolarHBondContact OG1-CB 3.43Å; T159-S399 PolarHBondContact OG1-O 3.05Å; N292-S399 PolarHBondContact ND2-N 3.47Å; N292-S399 PolarHBondContact ND2-OG 3.48Å; F395-S399 VanDerWaalsContact O-CB 3.3Å; F395-S399 WeakPolarHBondContact O-CB 3.25Å; F395-S399 PolarHBondContact O-N 3Å; F395-S399 PolarHBondContact O-OG 3.32Å; S399-R402 PolarHBondContact O-N 2.95Å; S399-S403 PolarHBondContact O-N 2.92Å; S399-S403 PolarHBondContact O-OG 2.6Å; S399-S403 VanDerWaalsContact O-OG 3.05Å |
| 400 | L | 95.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 35.5 Ų | 35.5 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.1 | -177.6 | 61.8 | 0 | 0 | 0 | 111.1 | A396 R402 S403 L404 | A396-L400 WeakPolarHBondContact O-CB 3.41Å; A396-L400 PolarHBondContact O-N 3.14Å; L400-R402 VanDerWaalsContact C-N 3.3Å; L400-R402 PolarHBondContact O-N 2.94Å; L400-S403 PolarHBondContact O-N 3.41Å; L400-L404 HydrophobicContact CD1-CD1 4.19Å; L400-L404 HydrophobicContact CD1-CG 4.14Å; L400-L404 HydrophobicContact CG-CD1 4Å; L400-L404 HydrophobicContact CG-CG 4.37Å; L400-L404 WeakPolarHBondContact O-CB 3.08Å; L400-L404 VanDerWaalsContact O-CG 3.32Å; L400-L404 WeakPolarHBondContact O-CG 3.44Å; L400-L404 PolarHBondContact O-N 3.32Å |
| 401 | S | 95.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.4 | -45 | 172.9 | 165.2 | 0 | 0 | 0 | 0 | 111.7 | I397 H405 Y550 | I397-S401 WeakPolarHBondContact O-CB 3.18Å; I397-S401 PolarHBondContact O-N 3.18Å; S401-H405 WeakPolarHBondContact O-CB 3.39Å; S401-H405 PolarHBondContact O-N 3.34Å; S401-Y550 WeakPolarHBondContact O-CB 3.44Å; S401-Y550 PolarHBondContact O-N 3.16Å; S401-Y550 PolarHBondContact OG-N 3.39Å; S401-Y550 PolarHBondContact OG-O 3.05Å |
| 402 | R | 95.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 176 | 175.7 | 65.7 | -177 | 160 | 0.3 | 112.1 | T159 V398 S399 L400 L404 H405 L406 R547 S548 F549 | T159-R402 HydrophobicContact CG2-CB 4.11Å; T159-R402 HydrophobicContact CG2-CG 3.36Å; V398-R402 PolarHBondContact O-N 3.16Å; S399-R402 PolarHBondContact O-N 2.95Å; L400-R402 VanDerWaalsContact C-N 3.3Å; L400-R402 PolarHBondContact O-N 2.94Å; R402-L404 PolarHBondContact O-N 2.87Å; R402-H405 WeakPolarHBondContact O-CB 3.34Å; R402-H405 PolarHBondContact O-N 3.32Å; R402-L406 WeakPolarHBondContact O-CG 3.39Å; R402-L406 PolarHBondContact O-N 3.44Å; R402-R547 PolarHBondContact NH1-O 3.36Å; R402-S548 WeakPolarHBondContact CD-O 3.24Å; R402-S548 PolarHBondContact NH1-O 3.4Å; R402-F549 HydrophobicContact CB-CD1 4.07Å; R402-F549 HydrophobicContact CB-CE1 4.19Å |
| 403 | S | 96.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | -178.3 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | T159 S399 L400 H405 L406 V407 | T159-S403 WeakPolarHBondContact CG2-OG 3.28Å; T159-S403 PolarHBondContact OG1-OG 3.39Å; S399-S403 PolarHBondContact O-N 2.92Å; S399-S403 PolarHBondContact O-OG 2.6Å; S399-S403 VanDerWaalsContact O-OG 3.05Å; L400-S403 PolarHBondContact O-N 3.41Å; S403-H405 VanDerWaalsContact C-N 3.33Å; S403-H405 PolarHBondContact O-N 2.93Å; S403-L406 WeakPolarHBondContact O-CB 3.47Å; S403-L406 PolarHBondContact O-N 2.72Å; S403-V407 WeakPolarHBondContact O-CG2 3.4Å; S403-V407 PolarHBondContact O-N 3.38Å |
| 404 | L | 94.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 28.8 Ų | 28.8 | 24% | 0.236 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.4 | -69.4 | 175.9 | 0 | 0 | 0 | 112.3 | F50 L400 R402 L406 V407 F408 | F50-L404 HydrophobicContact CZ-CD2 4.05Å; L400-L404 HydrophobicContact CD1-CD1 4.19Å; L400-L404 HydrophobicContact CD1-CG 4.14Å; L400-L404 HydrophobicContact CG-CD1 4Å; L400-L404 HydrophobicContact CG-CG 4.37Å; L400-L404 WeakPolarHBondContact O-CB 3.08Å; L400-L404 VanDerWaalsContact O-CG 3.32Å; L400-L404 WeakPolarHBondContact O-CG 3.44Å; L400-L404 PolarHBondContact O-N 3.32Å; R402-L404 PolarHBondContact O-N 2.87Å; L404-L406 VanDerWaalsContact C-N 3.28Å; L404-L406 PolarHBondContact O-N 2.99Å; L404-V407 PolarHBondContact O-N 3.45Å; L404-F408 HydrophobicContact CB-CD2 4.24Å; L404-F408 HydrophobicContact CB-CE2 4.01Å; L404-F408 HydrophobicContact CD2-CE2 4.15Å; L404-F408 WeakPolarHBondContact O-CD2 3.4Å; L404-F408 PolarHBondContact O-N 2.98Å |
| 405 | H | 92.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 174.7 | -166.2 | -91.9 | 0 | 0 | 0 | 112.1 | S401 R402 S403 V407 S409 C546 R547 | S401-H405 WeakPolarHBondContact O-CB 3.39Å; S401-H405 PolarHBondContact O-N 3.34Å; R402-H405 WeakPolarHBondContact O-CB 3.34Å; R402-H405 PolarHBondContact O-N 3.32Å; S403-H405 VanDerWaalsContact C-N 3.33Å; S403-H405 PolarHBondContact O-N 2.93Å; H405-V407 VanDerWaalsContact C-N 3.34Å; H405-S409 PolarHBondContact CE1-OG 3.04Å; H405-S409 PolarHBondContact ND1-OG 3.42Å; H405-S409 PolarHBondContact NE2-OG 3.25Å; H405-S409 WeakPolarHBondContact O-CB 3.48Å; H405-S409 PolarHBondContact O-N 3.13Å; H405-S409 VanDerWaalsContact O-N 3.08Å; H405-S409 PolarHBondContact O-OG 3.49Å; H405-C546 PolarHBondContact NE2-O 2.88Å; H405-R547 PolarHBondContact CE1-O 2.89Å; H405-R547 PolarHBondContact ND1-O 3.37Å |
| 406 | L | 94.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 177.4 | -71.1 | 169.7 | 0 | 0 | 0 | 111.5 | M58 T159 F162 I163 R402 S403 L404 F410 | M58-L406 HydrophobicContact CE-CD2 4.3Å; T159-L406 HydrophobicContact CG2-CD1 3.8Å; F162-L406 HydrophobicContact CD1-CD1 4.48Å; F162-L406 HydrophobicContact CE1-CB 4.47Å; I163-L406 HydrophobicContact CD1-CD1 3.76Å; I163-L406 HydrophobicContact CG1-CD1 3.88Å; R402-L406 WeakPolarHBondContact O-CG 3.39Å; R402-L406 PolarHBondContact O-N 3.44Å; S403-L406 WeakPolarHBondContact O-CB 3.47Å; S403-L406 PolarHBondContact O-N 2.72Å; L404-L406 VanDerWaalsContact C-N 3.28Å; L404-L406 PolarHBondContact O-N 2.99Å; L406-F410 HydrophobicContact CD2-CD2 4Å; L406-F410 HydrophobicContact CD2-CE2 3.98Å; L406-F410 WeakPolarHBondContact O-CB 3.38Å; L406-F410 WeakPolarHBondContact O-CD2 3.24Å; L406-F410 PolarHBondContact O-N 3.17Å |
| 407 | V | 94.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -64.6 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 110 | F50 Q54 F162 S403 L404 H405 S409 F410 D411 | F50-V407 HydrophobicContact CZ-CG2 4.46Å; Q54-V407 HydrophobicContact CB-CG1 4.12Å; Q54-V407 HydrophobicContact CB-CG2 3.86Å; F162-V407 HydrophobicContact CE1-CG2 4.36Å; F162-V407 HydrophobicContact CZ-CG2 3.67Å; S403-V407 WeakPolarHBondContact O-CG2 3.4Å; S403-V407 PolarHBondContact O-N 3.38Å; L404-V407 PolarHBondContact O-N 3.45Å; H405-V407 VanDerWaalsContact C-N 3.34Å; V407-S409 PolarHBondContact O-N 2.9Å; V407-F410 PolarHBondContact O-N 3.2Å; V407-D411 VanDerWaalsContact O-CB 3.23Å; V407-D411 WeakPolarHBondContact O-CB 3.35Å; V407-D411 VanDerWaalsContact O-CG 3.24Å; V407-D411 PolarHBondContact O-N 3.33Å |
| 408 | F | 91.7 | Very high | 95.2 | Very high | 111 Ų | 111 | 25.6 Ų | 25.6 | 49% | 0.487 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.5 | -14.2 | -170.4 | -61.5 | -51.7 | 0 | 0 | 0 | 115.2 | L404 Y550 | L404-F408 HydrophobicContact CB-CD2 4.24Å; L404-F408 HydrophobicContact CB-CE2 4.01Å; L404-F408 HydrophobicContact CD2-CE2 4.15Å; L404-F408 WeakPolarHBondContact O-CD2 3.4Å; L404-F408 PolarHBondContact O-N 2.98Å; F408-Y550 HydrophobicContact CD2-CD2 4.16Å; F408-Y550 HydrophobicContact CD2-CE2 4.03Å |
| 409 | S | 92.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -101.3 | -18.4 | -178.4 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | H405 V407 L537 | H405-S409 PolarHBondContact CE1-OG 3.04Å; H405-S409 PolarHBondContact ND1-OG 3.42Å; H405-S409 PolarHBondContact NE2-OG 3.25Å; H405-S409 WeakPolarHBondContact O-CB 3.48Å; H405-S409 PolarHBondContact O-N 3.13Å; H405-S409 VanDerWaalsContact O-N 3.08Å; H405-S409 PolarHBondContact O-OG 3.49Å; V407-S409 PolarHBondContact O-N 2.9Å; S409-L537 PolarHBondContact O-N 3.48Å; S409-L537 VanDerWaalsContact O-N 3.13Å |
| 410 | F | 94.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -139.3 | 10.6 | -167.8 | -52.4 | -63.1 | 0 | 0 | 0 | 114.4 | P56 L406 V407 A412 P413 F536 L537 | P56-F410 HydrophobicContact CB-CB 4.25Å; P56-F410 HydrophobicContact CG-CB 4.09Å; L406-F410 HydrophobicContact CD2-CD2 4Å; L406-F410 HydrophobicContact CD2-CE2 3.98Å; L406-F410 WeakPolarHBondContact O-CB 3.38Å; L406-F410 WeakPolarHBondContact O-CD2 3.24Å; L406-F410 PolarHBondContact O-N 3.17Å; V407-F410 PolarHBondContact O-N 3.2Å; F410-A412 VanDerWaalsContact C-N 3.35Å; F410-P413 WeakPolarHBondContact O-CD 3.38Å; F410-F536 HydrophobicContact CB-CE2 4.13Å; F410-F536 HydrophobicContact CB-CZ 4.29Å; F410-F536 AromaticContact CD1-CE1 3.77Å; F410-F536 HydrophobicContact CD1-CE1 3.77Å; F410-F536 AromaticContact CD1-CE2 3.97Å; F410-F536 HydrophobicContact CD1-CE2 3.97Å; F410-F536 AromaticContact CD1-CZ 3.45Å; F410-F536 HydrophobicContact CD1-CZ 3.45Å; F410-F536 VanDerWaalsContact CD1-CZ 3.45Å; F410-F536 HydrophobicContact CE1-CE1 4.17Å; F410-F536 HydrophobicContact CE1-CZ 4.26Å; F410-F536 HydrophobicContact CG-CZ 4.34Å; F410-L537 HydrophobicContact CE1-CB 3.97Å; F410-L537 HydrophobicContact CE1-CD2 3.96Å; F410-L537 HydrophobicContact CZ-CB 4.3Å; F410-L537 HydrophobicContact CZ-CD2 3.64Å |
| 411 | D | 94.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 17% | 0.166 | 12% | 0.121 | C | C | . | . | trans | -76.2 | -16.5 | 177.1 | 60.9 | -2.1 | 0 | 0 | 0 | 114.3 | V407 P413 F414 H415 | V407-D411 VanDerWaalsContact O-CB 3.23Å; V407-D411 WeakPolarHBondContact O-CB 3.35Å; V407-D411 VanDerWaalsContact O-CG 3.24Å; V407-D411 PolarHBondContact O-N 3.33Å; D411-P413 VanDerWaalsContact C-CD 3.41Å; D411-P413 VanDerWaalsContact C-N 3.34Å; D411-P413 VanDerWaalsContact O-N 3.13Å; D411-F414 WeakPolarHBondContact O-CB 3.36Å; D411-F414 PolarHBondContact O-N 2.81Å; D411-H415 PolarHBondContact O-CD2 2.95Å; D411-H415 PolarHBondContact O-N 2.57Å; D411-H415 IonicContact OD2-CD2 3.07Å; D411-H415 IonicContact OD2-NE2 2.82Å | ||
| 412 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -50 | -40.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | F410 F414 H415 A416 F536 Y563 | F410-A412 VanDerWaalsContact C-N 3.35Å; A412-F414 PolarHBondContact O-N 3.12Å; A412-H415 PolarHBondContact O-N 3.42Å; A412-A416 WeakPolarHBondContact O-CB 3.37Å; A412-A416 PolarHBondContact O-N 3.08Å; A412-F536 HydrophobicContact CB-CD2 3.88Å; A412-Y563 HydrophobicContact CB-CD1 4.09Å; A412-Y563 HydrophobicContact CB-CG 4.03Å |
| 413 | P | 97.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.071 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.4 | -24.6 | 35.4 | 0 | 0 | 0 | 112.6 | F410 D411 H415 A416 Y417 R440 F536 Y563 | F410-P413 WeakPolarHBondContact O-CD 3.38Å; D411-P413 VanDerWaalsContact C-CD 3.41Å; D411-P413 VanDerWaalsContact C-N 3.34Å; D411-P413 VanDerWaalsContact O-N 3.13Å; P413-H415 VanDerWaalsContact C-N 3.27Å; P413-H415 PolarHBondContact O-N 3.08Å; P413-A416 PolarHBondContact O-N 3.34Å; P413-Y417 VanDerWaalsContact O-CD2 3.22Å; P413-Y417 WeakPolarHBondContact O-CD2 3.39Å; P413-Y417 PolarHBondContact O-N 3.23Å; P413-R440 WeakPolarHBondContact CB-O 3.15Å; P413-R440 HydrophobicContact CG-CB 4.12Å; P413-F536 HydrophobicContact CG-CE2 4.11Å; P413-Y563 HydrophobicContact CB-CE1 4.31Å; P413-Y563 HydrophobicContact CG-CE1 4.3Å; P413-Y563 HydrophobicContact CG-CE2 4.28Å |
| 414 | F | 96.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 177.7 | -84.2 | -75.9 | 0 | 0 | 0 | 112.2 | I57 F117 Y118 D411 A412 G418 P442 F446 | I57-F414 HydrophobicContact CD1-CE2 4.46Å; I57-F414 HydrophobicContact CD1-CZ 3.8Å; I57-F414 HydrophobicContact CG1-CE2 4.24Å; I57-F414 HydrophobicContact CG1-CZ 3.92Å; F117-F414 HydrophobicContact CD1-CE1 4.5Å; F117-F414 AromaticContact CE1-CE1 3.46Å; F117-F414 HydrophobicContact CE1-CE1 3.46Å; F117-F414 VanDerWaalsContact CE1-CE1 3.46Å; F117-F414 AromaticContact CE1-CZ 3.96Å; F117-F414 HydrophobicContact CE1-CZ 3.96Å; F117-F414 AromaticContact CZ-CE1 3.67Å; F117-F414 HydrophobicContact CZ-CE1 3.67Å; F117-F414 AromaticContact CZ-CZ 3.83Å; F117-F414 HydrophobicContact CZ-CZ 3.83Å; Y118-F414 WeakPolarHBondContact OH-CD1 3.36Å; D411-F414 WeakPolarHBondContact O-CB 3.36Å; D411-F414 PolarHBondContact O-N 2.81Å; A412-F414 PolarHBondContact O-N 3.12Å; F414-G418 WeakPolarHBondContact O-CA 3.33Å; F414-G418 PolarHBondContact O-N 2.93Å; F414-P442 HydrophobicContact CD1-CB 4.42Å; F414-P442 HydrophobicContact CE1-CB 4.09Å; F414-P442 HydrophobicContact CZ-CB 4.34Å; F414-F446 AromaticContact CD1-CE1 3.74Å; F414-F446 HydrophobicContact CD1-CE1 3.74Å; F414-F446 HydrophobicContact CD1-CE2 4.11Å; F414-F446 AromaticContact CD1-CZ 3.34Å; F414-F446 HydrophobicContact CD1-CZ 3.34Å; F414-F446 HydrophobicContact CE1-CE1 4.26Å; F414-F446 AromaticContact CE1-CE2 3.8Å; F414-F446 HydrophobicContact CE1-CE2 3.8Å; F414-F446 AromaticContact CE1-CZ 3.41Å; F414-F446 HydrophobicContact CE1-CZ 3.41Å; F414-F446 VanDerWaalsContact CE1-CZ 3.41Å |
| 415 | H | 96.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.6 | -43.4 | 177.6 | -69.3 | -65.5 | 0 | 0 | 0 | 112.8 | D411 A412 P413 G418 Y419 F532 | D411-H415 PolarHBondContact O-CD2 2.95Å; D411-H415 PolarHBondContact O-N 2.57Å; D411-H415 IonicContact OD2-CD2 3.07Å; D411-H415 IonicContact OD2-NE2 2.82Å; A412-H415 PolarHBondContact O-N 3.42Å; P413-H415 VanDerWaalsContact C-N 3.27Å; P413-H415 PolarHBondContact O-N 3.08Å; H415-G418 PolarHBondContact O-N 3.35Å; H415-Y419 VanDerWaalsContact O-CB 3.25Å; H415-Y419 WeakPolarHBondContact O-CB 3.41Å; H415-Y419 PolarHBondContact O-N 2.94Å; H415-F532 HydrophobicContact CB-CE1 4.25Å; H415-F532 HydrophobicContact CB-CE2 4.08Å; H415-F532 HydrophobicContact CB-CZ 3.51Å |
| 416 | A | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A412 P413 Y419 L420 F532 Y563 | A412-A416 WeakPolarHBondContact O-CB 3.37Å; A412-A416 PolarHBondContact O-N 3.08Å; P413-A416 PolarHBondContact O-N 3.34Å; A416-Y419 PolarHBondContact O-N 2.96Å; A416-L420 WeakPolarHBondContact O-CB 3.21Å; A416-L420 PolarHBondContact O-N 2.86Å; A416-F532 HydrophobicContact CB-CD1 3.78Å; A416-F532 HydrophobicContact CB-CE1 3.91Å; A416-Y563 HydrophobicContact CB-CD1 3.9Å; A416-Y563 HydrophobicContact CB-CE1 3.73Å |
| 417 | Y | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.4 | -30.7 | 177 | -74.3 | -81 | 0 | 0 | 0 | 112.5 | P413 L420 Q421 V432 V434 F441 P442 L447 V506 | P413-Y417 VanDerWaalsContact O-CD2 3.22Å; P413-Y417 WeakPolarHBondContact O-CD2 3.39Å; P413-Y417 PolarHBondContact O-N 3.23Å; Y417-L420 HydrophobicContact CD1-CD2 3.96Å; Y417-L420 HydrophobicContact CE1-CD2 4.35Å; Y417-Q421 PolarHBondContact O-N 3.32Å; Y417-V432 HydrophobicContact CE1-CG1 4.1Å; Y417-V434 WeakPolarHBondContact OH-CG1 3.4Å; Y417-F441 HydrophobicContact CD1-CD2 4.17Å; Y417-F441 HydrophobicContact CD1-CE2 4.11Å; Y417-F441 AromaticContact CE1-CD2 3.54Å; Y417-F441 HydrophobicContact CE1-CD2 3.54Å; Y417-F441 AromaticContact CE1-CE2 3.75Å; Y417-F441 HydrophobicContact CE1-CE2 3.75Å; Y417-F441 HydrophobicContact CE2-CD2 4.22Å; Y417-F441 AromaticContact CZ-CD2 3.57Å; Y417-P442 HydrophobicContact CD2-CG 3.61Å; Y417-P442 VanDerWaalsContact CE2-CD 3.43Å; Y417-P442 HydrophobicContact CE2-CG 4.34Å; Y417-P442 HydrophobicContact CG-CG 3.74Å; Y417-L447 HydrophobicContact CD1-CD2 4.33Å; Y417-V506 HydrophobicContact CE1-CG2 4.03Å; Y417-V506 HydrophobicContact CE2-CG1 4.05Å; Y417-V506 HydrophobicContact CE2-CG2 4.33Å |
| 418 | G | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R114 F414 H415 Q421 E422 | R114-G418 PolarHBondContact NH1-O 3.39Å; F414-G418 WeakPolarHBondContact O-CA 3.33Å; F414-G418 PolarHBondContact O-N 2.93Å; H415-G418 PolarHBondContact O-N 3.35Å; G418-Q421 PolarHBondContact O-N 2.96Å; G418-E422 PolarHBondContact O-N 2.83Å |
| 419 | Y | 95 | Very high | 90.4 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.5 | -175.7 | -104.5 | 0 | 0 | 0 | 111.7 | H415 A416 Q421 E422 M423 E531 F532 L565 | H415-Y419 VanDerWaalsContact O-CB 3.25Å; H415-Y419 WeakPolarHBondContact O-CB 3.41Å; H415-Y419 PolarHBondContact O-N 2.94Å; A416-Y419 PolarHBondContact O-N 2.96Å; Y419-Q421 VanDerWaalsContact C-N 3.29Å; Y419-Q421 PolarHBondContact O-N 2.91Å; Y419-E422 PolarHBondContact O-N 3.34Å; Y419-E422 VanDerWaalsContact O-N 3.09Å; Y419-M423 HydrophobicContact CD1-CG 4.09Å; Y419-M423 HydrophobicContact CD1-SD 3.57Å; Y419-M423 VanDerWaalsContact CD1-SD 3.57Å; Y419-M423 HydrophobicContact CE1-CG 3.82Å; Y419-M423 HydrophobicContact CE1-SD 3.11Å; Y419-M423 WeakPolarHBondContact CE1-SD 3.48Å; Y419-M423 WeakPolarHBondContact O-CG 3.13Å; Y419-M423 PolarHBondContact O-N 2.95Å; Y419-E531 HydrophobicContact CE1-CB 4.14Å; Y419-E531 WeakPolarHBondContact CE1-O 3.45Å; Y419-F532 HydrophobicContact CD1-CB 3.7Å; Y419-F532 HydrophobicContact CD1-CD2 4.32Å; Y419-F532 HydrophobicContact CD1-CG 4.39Å; Y419-F532 HydrophobicContact CE1-CB 4.07Å; Y419-F532 HydrophobicContact CG-CB 4.39Å; Y419-F532 HydrophobicContact CG-CD2 4.2Å; Y419-L565 HydrophobicContact CD1-CD2 4.02Å |
| 420 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54 | -44.6 | 173.1 | 179.6 | 64.3 | 0 | 0 | 0 | 112.2 | A416 Y417 E422 M423 I424 V432 L447 Y504 L565 | A416-L420 WeakPolarHBondContact O-CB 3.21Å; A416-L420 PolarHBondContact O-N 2.86Å; Y417-L420 HydrophobicContact CD1-CD2 3.96Å; Y417-L420 HydrophobicContact CE1-CD2 4.35Å; L420-E422 VanDerWaalsContact C-N 3.28Å; L420-E422 PolarHBondContact O-N 2.9Å; L420-M423 PolarHBondContact O-N 3.4Å; L420-I424 HydrophobicContact CD1-CD1 3.5Å; L420-I424 HydrophobicContact CD1-CG1 3.98Å; L420-I424 HydrophobicContact CD2-CD1 4.45Å; L420-I424 HydrophobicContact CG-CD1 3.72Å; L420-I424 HydrophobicContact CG-CG1 4.4Å; L420-I424 WeakPolarHBondContact O-CB 3.36Å; L420-I424 VanDerWaalsContact O-CG1 3.31Å; L420-I424 WeakPolarHBondContact O-CG1 3.48Å; L420-I424 PolarHBondContact O-N 2.88Å; L420-V432 HydrophobicContact CD2-CB 4.38Å; L420-V432 HydrophobicContact CD2-CG1 3.64Å; L420-V432 HydrophobicContact CD2-CG2 3.79Å; L420-L447 HydrophobicContact CD2-CD2 4.17Å; L420-Y504 HydrophobicContact CD1-CD1 3.86Å; L420-Y504 HydrophobicContact CD1-CD2 3.87Å; L420-Y504 HydrophobicContact CD1-CE1 4.22Å; L420-Y504 HydrophobicContact CD1-CE2 4.24Å; L420-Y504 HydrophobicContact CD1-CG 3.67Å; L420-L565 HydrophobicContact CB-CD1 4.48Å; L420-L565 HydrophobicContact CB-CD2 3.85Å; L420-L565 HydrophobicContact CD1-CD1 3.9Å; L420-L565 HydrophobicContact CD1-CD2 4.01Å; L420-L565 HydrophobicContact CD2-CD1 4.39Å; L420-L565 HydrophobicContact CG-CD1 4.5Å |
| 421 | Q | 91.8 | Very high | 90.4 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -31.5 | 179.4 | -164.7 | 175.3 | 40.5 | 0 | 0 | 113.1 | Y417 G418 Y419 F445 F446 | Y417-Q421 PolarHBondContact O-N 3.32Å; G418-Q421 PolarHBondContact O-N 2.96Å; Y419-Q421 VanDerWaalsContact C-N 3.29Å; Y419-Q421 PolarHBondContact O-N 2.91Å; Q421-F445 PolarHBondContact NE2-O 3.47Å; Q421-F446 WeakPolarHBondContact CB-O 3.5Å |
| 422 | E | 90.3 | Very high | 90.5 | Very high | 130 Ų | 130 | 51.7 Ų | 51.7 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -77.8 | -32.3 | 178.2 | -71.9 | 168.7 | -163.2 | 0 | 0 | 111.8 | R114 G418 Y419 L420 | R114-E422 IonicContact CZ-OE1 2.86Å; R114-E422 IonicContact NH1-OE1 2.69Å; R114-E422 PolarHBondContact NH1-OE1 3.33Å; R114-E422 IonicContact NH2-OE1 3.29Å; R114-E422 PolarHBondContact NH2-OE1 2.86Å; G418-E422 PolarHBondContact O-N 2.83Å; Y419-E422 PolarHBondContact O-N 3.34Å; Y419-E422 VanDerWaalsContact O-N 3.09Å; L420-E422 VanDerWaalsContact C-N 3.28Å; L420-E422 PolarHBondContact O-N 2.9Å |
| 423 | M | 89.5 | Confident | 90.5 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74.3 | -39.1 | 175.3 | -71.7 | -175.9 | 71 | 0 | 0 | 113.7 | Y419 L420 E425 E531 L565 | Y419-M423 HydrophobicContact CD1-CG 4.09Å; Y419-M423 HydrophobicContact CD1-SD 3.57Å; Y419-M423 VanDerWaalsContact CD1-SD 3.57Å; Y419-M423 HydrophobicContact CE1-CG 3.82Å; Y419-M423 HydrophobicContact CE1-SD 3.11Å; Y419-M423 WeakPolarHBondContact CE1-SD 3.48Å; Y419-M423 WeakPolarHBondContact O-CG 3.13Å; Y419-M423 PolarHBondContact O-N 2.95Å; L420-M423 PolarHBondContact O-N 3.4Å; M423-E425 PolarHBondContact O-N 3.22Å; M423-E531 HydrophobicContact CE-CB 4.03Å; M423-E531 HydrophobicContact CE-CG 3.75Å; M423-E531 HydrophobicContact SD-CB 3.9Å; M423-E531 HydrophobicContact SD-CG 4.26Å; M423-L565 HydrophobicContact SD-CD2 4.41Å |
| 424 | I | 87.2 | Confident | 90.5 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -75.3 | 120 | -176.1 | -70.1 | 177 | 0 | 0 | 0 | 109.5 | L420 Q428 A430 V432 A451 Y504 | L420-I424 HydrophobicContact CD1-CD1 3.5Å; L420-I424 HydrophobicContact CD1-CG1 3.98Å; L420-I424 HydrophobicContact CD2-CD1 4.45Å; L420-I424 HydrophobicContact CG-CD1 3.72Å; L420-I424 HydrophobicContact CG-CG1 4.4Å; L420-I424 WeakPolarHBondContact O-CB 3.36Å; L420-I424 VanDerWaalsContact O-CG1 3.31Å; L420-I424 WeakPolarHBondContact O-CG1 3.48Å; L420-I424 PolarHBondContact O-N 2.88Å; I424-Q428 HydrophobicContact CG2-CB 4.15Å; I424-A430 HydrophobicContact CD1-CB 4.1Å; I424-V432 HydrophobicContact CD1-CG2 4.39Å; I424-A451 HydrophobicContact CD1-CB 4.44Å; I424-Y504 HydrophobicContact CD1-CD2 3.89Å; I424-Y504 HydrophobicContact CD1-CE2 3.57Å; I424-Y504 HydrophobicContact CG1-CD2 4.33Å; I424-Y504 HydrophobicContact CG1-CE2 3.54Å |
| 425 | E | 77.8 | Confident | 90.5 | Very high | 154 Ų | 154 | 50.2 Ų | 50.2 | 72% | 0.72 | 25% | 0.252 | S | S | * | . | trans | -60.3 | 140.1 | 168.4 | -66.3 | 179.3 | -178.9 | 0 | 0 | 110.1 | M423 Q427 Q428 | M423-E425 PolarHBondContact O-N 3.22Å; E425-Q427 PolarHBondContact O-N 3.14Å; E425-Q428 HydrophobicContact CB-CB 4.32Å; E425-Q428 WeakPolarHBondContact O-CB 3.47Å; E425-Q428 PolarHBondContact O-N 3.44Å | ||
| 426 | S | 72.9 | Confident | 90.4 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 58% | 0.58 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -25.5 | -171.3 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 427 | Q | 72.1 | Confident | 90.3 | Very high | 161 Ų | 161 | 47.4 Ų | 47.4 | 75% | 0.752 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | -0.9 | -178.9 | -60.2 | -60.5 | -40.6 | 0 | 0 | 114 | E425 N429 | E425-Q427 PolarHBondContact O-N 3.14Å; Q427-N429 PolarHBondContact O-N 3.37Å |
| 428 | Q | 80.7 | Confident | 90.3 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | trans | -76 | 113.7 | -178.7 | -173.7 | -176.8 | 10.2 | 0 | 0 | 110.4 | I424 E425 A430 A450 | I424-Q428 HydrophobicContact CG2-CB 4.15Å; E425-Q428 HydrophobicContact CB-CB 4.32Å; E425-Q428 WeakPolarHBondContact O-CB 3.47Å; E425-Q428 PolarHBondContact O-N 3.44Å; Q428-A430 HydrophobicContact CG-CB 4.43Å; Q428-A430 PolarHBondContact O-N 3.49Å; Q428-A450 WeakPolarHBondContact O-CB 3.44Å | ||
| 429 | N | 88.9 | Confident | 90.4 | Very high | 136 Ų | 136 | 51.7 Ų | 51.7 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | trans | -66.4 | 99.7 | 166.9 | -77.1 | -23.7 | 0 | 0 | 0 | 109 | Q427 A450 | Q427-N429 PolarHBondContact O-N 3.37Å; N429-A450 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 430 | A | 92.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | trans | -122.5 | 132.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I424 Q428 A451 K452 T503 Y504 | I424-A430 HydrophobicContact CD1-CB 4.1Å; Q428-A430 HydrophobicContact CG-CB 4.43Å; Q428-A430 PolarHBondContact O-N 3.49Å; A430-A451 HydrophobicContact CB-CB 4.47Å; A430-A451 VanDerWaalsContact O-CA 3.24Å; A430-A451 WeakPolarHBondContact O-CA 3.47Å; A430-K452 PolarHBondContact O-N 3.25Å; A430-T503 HydrophobicContact CB-CG2 4.25Å; A430-Y504 HydrophobicContact CB-CD2 3.94Å; A430-Y504 HydrophobicContact CB-CE2 3.72Å | ||
| 431 | T | 95.5 | Very high | 90.6 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113.4 | 171.8 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | L497 Q501 T503 Y504 | T431-L497 HydrophobicContact CG2-CD1 3.68Å; T431-Q501 VanDerWaalsContact CB-O 3.31Å; T431-Q501 WeakPolarHBondContact CB-O 3.5Å; T431-T503 PolarHBondContact N-OG1 3.03Å; T431-T503 VanDerWaalsContact N-OG1 3.09Å; T431-T503 PolarHBondContact O-N 3.36Å; T431-Y504 PolarHBondContact O-N 2.83Å; T431-Y504 VanDerWaalsContact O-N 3.09Å |
| 432 | V | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 105.6 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | Y417 L420 I424 L447 K452 L453 G454 Y504 V506 | Y417-V432 HydrophobicContact CE1-CG1 4.1Å; L420-V432 HydrophobicContact CD2-CB 4.38Å; L420-V432 HydrophobicContact CD2-CG1 3.64Å; L420-V432 HydrophobicContact CD2-CG2 3.79Å; I424-V432 HydrophobicContact CD1-CG2 4.39Å; V432-L447 HydrophobicContact CB-CD2 4.45Å; V432-L447 HydrophobicContact CG2-CD2 4.09Å; V432-K452 PolarHBondContact N-O 3.04Å; V432-L453 CarbonylContact O-C 3.58Å; V432-L453 WeakPolarHBondContact O-CA 3.46Å; V432-G454 PolarHBondContact O-N 3.01Å; V432-Y504 HydrophobicContact CG2-CD2 4.37Å; V432-V506 HydrophobicContact CG1-CG2 4.44Å |
| 433 | C | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 143.7 | -176.9 | -72.8 | 0 | 0 | 0 | 0 | 112 | G454 L456 C502 Y504 L505 V506 | C433-G454 CarbonylContact C-O 3.53Å; C433-G454 VanDerWaalsContact CA-O 3.28Å; C433-G454 WeakPolarHBondContact CA-O 3Å; C433-L456 HydrophobicContact CB-CD1 4.18Å; C433-L456 HydrophobicContact CB-CG 4.06Å; C433-C502 HydrophobicContact CB-CB 3.69Å; C433-C502 WeakPolarHBondContact CB-SG 3.28Å; C433-C502 VanDerWaalsContact SG-CA 3.53Å; C433-C502 WeakPolarHBondContact SG-CB 3.22Å; C433-C502 CovalentContact SG-SG 2.02Å; C433-C502 PolarHBondContact SG-SG 3.09Å; C433-Y504 PolarHBondContact N-O 2.88Å; C433-L505 HydrophobicContact CB-CD1 4Å; C433-L505 WeakPolarHBondContact O-CA 3.43Å; C433-L505 WeakPolarHBondContact O-CD1 3.28Å; C433-V506 PolarHBondContact O-N 3.05Å |
| 434 | V | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.8 | 171.7 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | Y417 W438 L453 G454 F455 L456 V506 | Y417-V434 WeakPolarHBondContact OH-CG1 3.4Å; V434-W438 HydrophobicContact CG2-CB 3.98Å; V434-L453 HydrophobicContact CG1-CD1 4.07Å; V434-L453 HydrophobicContact CG2-CD1 3.87Å; V434-L453 HydrophobicContact CG2-CD2 4.44Å; V434-L453 HydrophobicContact CG2-CG 4.23Å; V434-G454 PolarHBondContact N-O 3.17Å; V434-F455 HydrophobicContact CG2-CD1 3.73Å; V434-F455 HydrophobicContact CG2-CE1 3.95Å; V434-F455 CarbonylContact O-C 3.53Å; V434-F455 WeakPolarHBondContact O-CA 3.44Å; V434-L456 PolarHBondContact O-N 3.44Å; V434-V506 HydrophobicContact CG1-CB 4.12Å |
| 435 | G | 95.8 | Very high | 92 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -102.9 | -111.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E437 W438 | G435-E437 PolarHBondContact O-N 2.98Å; G435-E437 VanDerWaalsContact O-N 3.17Å; G435-W438 WeakPolarHBondContact O-CB 3.15Å; G435-W438 VanDerWaalsContact O-CD1 3.31Å; G435-W438 PolarHBondContact O-N 3.41Å; G435-W438 VanDerWaalsContact O-N 3.14Å |
| 436 | K | 94.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 10% | 0.1 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -57.1 | -27.8 | 179.4 | 63.6 | -173.5 | 172.2 | -173.2 | 0 | 114.3 | W438 H439 D507 M508 E518 | K436-W438 VanDerWaalsContact C-N 3.3Å; K436-W438 PolarHBondContact O-N 2.92Å; K436-H439 PolarHBondContact O-CE1 2.8Å; K436-H439 VanDerWaalsContact O-CE1 3.25Å; K436-H439 PolarHBondContact O-ND1 3.08Å; K436-H439 VanDerWaalsContact O-ND1 3.09Å; K436-D507 WeakPolarHBondContact CE-OD1 3.11Å; K436-D507 IonicContact NZ-OD1 3.09Å; K436-M508 VanDerWaalsContact CE-O 3.25Å; K436-M508 WeakPolarHBondContact CE-O 3.35Å; K436-M508 PolarHBondContact NZ-O 2.98Å; K436-E518 HydrophobicContact CB-CG 4.17Å; K436-E518 WeakPolarHBondContact CB-OE1 3.35Å; K436-E518 HydrophobicContact CD-CB 4.23Å; K436-E518 HydrophobicContact CD-CG 4.33Å; K436-E518 WeakPolarHBondContact CD-OE2 3.31Å |
| 437 | E | 95.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 29 Ų | 29 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -85.5 | 9.7 | -179.8 | -61.6 | -53.2 | 128.7 | 0 | 0 | 114.6 | G435 H439 R440 M508 Y563 | G435-E437 PolarHBondContact O-N 2.98Å; G435-E437 VanDerWaalsContact O-N 3.17Å; E437-H439 PolarHBondContact O-N 3.05Å; E437-H439 VanDerWaalsContact O-N 3.1Å; E437-R440 PolarHBondContact O-N 2.91Å; E437-R440 WeakPolarHBondContact OE2-CD 3.38Å; E437-R440 IonicContact OE2-NE 3Å; E437-R440 PolarHBondContact OE2-NE 2.75Å; E437-M508 HydrophobicContact CG-CB 3.98Å; E437-M508 WeakPolarHBondContact OE2-CE 3.4Å; E437-Y563 HydrophobicContact CB-CE2 4.19Å; E437-Y563 HydrophobicContact CG-CE2 3.92Å |
| 438 | W | 96.7 | Very high | 94.8 | Very high | 27 Ų | 27 | 22 Ų | 22 | 10% | 0.102 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -51.7 | -37.2 | -178.7 | 71.1 | -92.6 | 0 | 0 | 0 | 113.5 | C60 F64 V434 G435 K436 R440 F441 F455 F460 L464 | C60-W438 HydrophobicContact CB-CZ3 4.42Å; F64-W438 HydrophobicContact CD2-CE3 4.4Å; F64-W438 HydrophobicContact CD2-CZ3 4.01Å; F64-W438 AromaticContact CE2-CE3 3.58Å; F64-W438 HydrophobicContact CE2-CE3 3.58Å; F64-W438 AromaticContact CE2-CZ3 3.62Å; F64-W438 HydrophobicContact CE2-CZ3 3.62Å; F64-W438 HydrophobicContact CZ-CE3 4.05Å; F64-W438 HydrophobicContact CZ-CZ3 4.47Å; F64-W438 WeakPolarHBondContact CZ-O 3.4Å; V434-W438 HydrophobicContact CG2-CB 3.98Å; G435-W438 WeakPolarHBondContact O-CB 3.15Å; G435-W438 VanDerWaalsContact O-CD1 3.31Å; G435-W438 PolarHBondContact O-N 3.41Å; G435-W438 VanDerWaalsContact O-N 3.14Å; K436-W438 VanDerWaalsContact C-N 3.3Å; K436-W438 PolarHBondContact O-N 2.92Å; W438-R440 PolarHBondContact O-N 2.91Å; W438-F441 WeakPolarHBondContact O-CB 3.47Å; W438-F441 PolarHBondContact O-N 3.09Å; W438-F455 HydrophobicContact CB-CD1 3.99Å; W438-F455 HydrophobicContact CB-CE1 3.97Å; W438-F460 AromaticContact CE2-CD1 3.93Å; W438-F460 AromaticContact CE2-CE1 3.99Å; W438-F460 HydrophobicContact CH2-CE1 4.37Å; W438-F460 HydrophobicContact CH2-CZ 4.14Å; W438-F460 HydrophobicContact CZ2-CD1 4.01Å; W438-F460 HydrophobicContact CZ2-CD2 4.08Å; W438-F460 AromaticContact CZ2-CE1 3.65Å; W438-F460 HydrophobicContact CZ2-CE1 3.65Å; W438-F460 AromaticContact CZ2-CE2 3.74Å; W438-F460 HydrophobicContact CZ2-CE2 3.74Å; W438-F460 HydrophobicContact CZ2-CG 4.21Å; W438-F460 AromaticContact CZ2-CZ 3.5Å; W438-F460 HydrophobicContact CZ2-CZ 3.5Å; W438-F460 AromaticContact NE1-CD1 3.66Å; W438-F460 AromaticContact NE1-CG 3.58Å; W438-L464 HydrophobicContact CD2-CD2 3.49Å; W438-L464 VanDerWaalsContact CD2-CD2 3.49Å; W438-L464 HydrophobicContact CE3-CD2 3.76Å; W438-L464 HydrophobicContact CG-CD2 3.85Å; W438-L464 HydrophobicContact CH2-CD2 4.46Å; W438-L464 HydrophobicContact CZ2-CD2 4.23Å; W438-L464 HydrophobicContact CZ3-CD2 4.25Å |
| 439 | H | 95.9 | Very high | 95 | Very high | 70 Ų | 70 | 25.4 Ų | 25.4 | 32% | 0.324 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -73.4 | -7.5 | -177.5 | 64.1 | -81.2 | 0 | 0 | 0 | 113.6 | C60 K436 E437 | C60-H439 HydrophobicContact CB-CB 4.11Å; K436-H439 PolarHBondContact O-CE1 2.8Å; K436-H439 VanDerWaalsContact O-CE1 3.25Å; K436-H439 PolarHBondContact O-ND1 3.08Å; K436-H439 VanDerWaalsContact O-ND1 3.09Å; E437-H439 PolarHBondContact O-N 3.05Å; E437-H439 VanDerWaalsContact O-N 3.1Å |
| 440 | R | 96.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 19.8 Ų | 19.8 | 26% | 0.257 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -105.3 | 1.8 | 175.7 | -56.6 | -166.9 | -164.9 | -79.1 | -3.9 | 113.8 | P413 E437 W438 | P413-R440 WeakPolarHBondContact CB-O 3.15Å; P413-R440 HydrophobicContact CG-CB 4.12Å; E437-R440 PolarHBondContact O-N 2.91Å; E437-R440 WeakPolarHBondContact OE2-CD 3.38Å; E437-R440 IonicContact OE2-NE 3Å; E437-R440 PolarHBondContact OE2-NE 2.75Å; W438-R440 PolarHBondContact O-N 2.91Å |
| 441 | F | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | trans | -57.8 | 125.7 | 172.9 | 173.9 | -117.2 | 0 | 0 | 0 | 109.9 | V63 F64 Y417 W438 S443 L447 L453 | V63-F441 HydrophobicContact CG1-CD1 4.03Å; V63-F441 WeakPolarHBondContact CG2-O 3.38Å; F64-F441 AromaticContact CE1-CD1 3.97Å; F64-F441 HydrophobicContact CE1-CD1 3.97Å; F64-F441 HydrophobicContact CZ-CB 4.26Å; F64-F441 HydrophobicContact CZ-CD1 4.16Å; Y417-F441 HydrophobicContact CD1-CD2 4.17Å; Y417-F441 HydrophobicContact CD1-CE2 4.11Å; Y417-F441 AromaticContact CE1-CD2 3.54Å; Y417-F441 HydrophobicContact CE1-CD2 3.54Å; Y417-F441 AromaticContact CE1-CE2 3.75Å; Y417-F441 HydrophobicContact CE1-CE2 3.75Å; Y417-F441 HydrophobicContact CE2-CD2 4.22Å; Y417-F441 AromaticContact CZ-CD2 3.57Å; W438-F441 WeakPolarHBondContact O-CB 3.47Å; W438-F441 PolarHBondContact O-N 3.09Å; F441-S443 VanDerWaalsContact CE1-CA 3.46Å; F441-S443 WeakPolarHBondContact CZ-O 3.48Å; F441-L447 HydrophobicContact CE2-CD1 4.07Å; F441-L447 HydrophobicContact CE2-CD2 4.35Å; F441-L447 HydrophobicContact CE2-CG 4.18Å; F441-L447 HydrophobicContact CZ-CD1 3.83Å; F441-L447 HydrophobicContact CZ-CG 4.17Å; F441-L453 HydrophobicContact CD1-CD2 3.7Å; F441-L453 HydrophobicContact CD2-CD1 3.8Å; F441-L453 HydrophobicContact CD2-CD2 4.35Å; F441-L453 HydrophobicContact CE1-CD2 3.77Å; F441-L453 HydrophobicContact CE2-CD1 3.82Å; F441-L453 HydrophobicContact CE2-CD2 4.44Å; F441-L453 HydrophobicContact CG-CD1 4.2Å; F441-L453 HydrophobicContact CG-CD2 3.98Å; F441-L453 HydrophobicContact CZ-CD1 4.2Å; F441-L453 HydrophobicContact CZ-CD2 4.13Å | ||
| 442 | P | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | trans | -76.4 | -42.9 | -172.6 | 26.3 | -33.1 | 0 | 0 | 0 | 113.7 | I57 V63 F414 Y417 F446 | I57-P442 HydrophobicContact CD1-CB 4.49Å; I57-P442 WeakPolarHBondContact CD1-O 3.24Å; V63-P442 WeakPolarHBondContact CG2-O 3.12Å; F414-P442 HydrophobicContact CD1-CB 4.42Å; F414-P442 HydrophobicContact CE1-CB 4.09Å; F414-P442 HydrophobicContact CZ-CB 4.34Å; Y417-P442 HydrophobicContact CD2-CG 3.61Å; Y417-P442 VanDerWaalsContact CE2-CD 3.43Å; Y417-P442 HydrophobicContact CE2-CG 4.34Å; Y417-P442 HydrophobicContact CG-CG 3.74Å; P442-F446 HydrophobicContact CB-CD2 3.89Å; P442-F446 HydrophobicContact CB-CE2 4Å; P442-F446 HydrophobicContact CB-CG 4.43Å; P442-F446 HydrophobicContact CG-CB 4.27Å; P442-F446 HydrophobicContact CG-CD1 4.45Å; P442-F446 HydrophobicContact CG-CD2 3.85Å; P442-F446 HydrophobicContact CG-CE2 4.37Å; P442-F446 HydrophobicContact CG-CG 3.92Å | ||
| 443 | S | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | 163.5 | 160.8 | 169.5 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | E68 F441 F445 F446 | E68-S443 WeakPolarHBondContact OE1-CA 3.21Å; E68-S443 VanDerWaalsContact OE1-CB 3.31Å; E68-S443 WeakPolarHBondContact OE1-CB 3.32Å; E68-S443 PolarHBondContact OE1-OG 3.33Å; F441-S443 VanDerWaalsContact CE1-CA 3.46Å; F441-S443 WeakPolarHBondContact CZ-O 3.48Å; S443-F445 PolarHBondContact O-N 2.65Å; S443-F445 VanDerWaalsContact O-N 3.09Å; S443-F445 WeakPolarHBondContact OG-CD2 3.22Å; S443-F445 PolarHBondContact OG-N 3.46Å; S443-F446 WeakPolarHBondContact O-CB 3.38Å; S443-F446 PolarHBondContact O-N 3.13Å | ||
| 444 | S | 96.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -56 | -15.2 | 167.9 | -62.6 | 0 | 0 | 0 | 0 | 114.1 | E68 H71 K113 F446 L447 | E68-S444 PolarHBondContact OE1-N 2.82Å; E68-S444 PolarHBondContact OE1-OG 3.36Å; E68-S444 WeakPolarHBondContact OE2-CB 3.19Å; E68-S444 PolarHBondContact OE2-OG 3.15Å; H71-S444 PolarHBondContact NE2-O 3.39Å; K113-S444 PolarHBondContact NZ-O 3.12Å; S444-F446 PolarHBondContact O-N 2.82Å; S444-L447 PolarHBondContact O-N 3.43Å |
| 445 | F | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.5 | 166.7 | -77.5 | -84.2 | 0 | 0 | 0 | 113.2 | W67 H71 H75 K113 R114 E116 F117 Q421 S443 | W67-F445 HydrophobicContact CE3-CD2 4.03Å; W67-F445 AromaticContact CE3-CE2 3.82Å; W67-F445 HydrophobicContact CE3-CE2 3.82Å; W67-F445 HydrophobicContact CZ3-CE2 4.37Å; H71-F445 HydrophobicContact CB-CD2 4.24Å; H71-F445 HydrophobicContact CB-CE2 3.79Å; H71-F445 HydrophobicContact CB-CZ 4.28Å; H71-F445 AromaticContact CD2-CD2 3.91Å; H71-F445 AromaticContact CD2-CG 3.92Å; H75-F445 AromaticContact CD2-CE1 3.86Å; H75-F445 AromaticContact NE2-CE1 3.71Å; K113-F445 CarbonylContact C-O 3.59Å; K113-F445 HydrophobicContact CB-CB 4.48Å; K113-F445 HydrophobicContact CB-CD1 4.01Å; K113-F445 VanDerWaalsContact CB-O 3.31Å; K113-F445 WeakPolarHBondContact CB-O 3.36Å; K113-F445 VanDerWaalsContact O-CD1 3.28Å; K113-F445 WeakPolarHBondContact O-CD1 3.35Å; R114-F445 PolarHBondContact N-O 3.2Å; E116-F445 HydrophobicContact CB-CD1 4.37Å; E116-F445 HydrophobicContact CB-CE1 4.16Å; E116-F445 WeakPolarHBondContact OE2-CE1 3.26Å; F117-F445 HydrophobicContact CB-CB 3.91Å; F117-F445 HydrophobicContact CB-CD1 4.31Å; F117-F445 HydrophobicContact CB-CG 4.07Å; F117-F445 HydrophobicContact CD2-CB 4.33Å; F117-F445 HydrophobicContact CD2-CD2 4.41Å; F117-F445 HydrophobicContact CD2-CG 4.5Å; F117-F445 HydrophobicContact CG-CB 4.45Å; Q421-F445 PolarHBondContact NE2-O 3.47Å; S443-F445 PolarHBondContact O-N 2.65Å; S443-F445 VanDerWaalsContact O-N 3.09Å; S443-F445 WeakPolarHBondContact OG-CD2 3.22Å; S443-F445 PolarHBondContact OG-N 3.46Å |
| 446 | F | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -90.9 | -1.5 | 174.5 | -70.9 | -101.1 | 0 | 0 | 0 | 113.5 | R114 F117 Y118 F414 Q421 P442 S443 S444 | R114-F446 HydrophobicContact CG-CD1 4.15Å; R114-F446 HydrophobicContact CG-CE1 3.79Å; R114-F446 HydrophobicContact CG-CZ 4.13Å; F117-F446 AromaticContact CD1-CE2 3.71Å; F117-F446 HydrophobicContact CD1-CE2 3.71Å; F117-F446 AromaticContact CD1-CZ 3.91Å; F117-F446 HydrophobicContact CD1-CZ 3.91Å; F117-F446 HydrophobicContact CD2-CE2 4.15Å; F117-F446 AromaticContact CE1-CE2 3.78Å; F117-F446 HydrophobicContact CE1-CE2 3.78Å; F117-F446 AromaticContact CE1-CZ 3.95Å; F117-F446 HydrophobicContact CE1-CZ 3.95Å; F117-F446 HydrophobicContact CE2-CE2 4.2Å; F117-F446 AromaticContact CG-CE2 3.9Å; F117-F446 HydrophobicContact CG-CE2 3.9Å; F117-F446 HydrophobicContact CZ-CE2 4.02Å; Y118-F446 HydrophobicContact CE2-CZ 4.22Å; F414-F446 AromaticContact CD1-CE1 3.74Å; F414-F446 HydrophobicContact CD1-CE1 3.74Å; F414-F446 HydrophobicContact CD1-CE2 4.11Å; F414-F446 AromaticContact CD1-CZ 3.34Å; F414-F446 HydrophobicContact CD1-CZ 3.34Å; F414-F446 HydrophobicContact CE1-CE1 4.26Å; F414-F446 AromaticContact CE1-CE2 3.8Å; F414-F446 HydrophobicContact CE1-CE2 3.8Å; F414-F446 AromaticContact CE1-CZ 3.41Å; F414-F446 HydrophobicContact CE1-CZ 3.41Å; F414-F446 VanDerWaalsContact CE1-CZ 3.41Å; Q421-F446 WeakPolarHBondContact CB-O 3.5Å; P442-F446 HydrophobicContact CB-CD2 3.89Å; P442-F446 HydrophobicContact CB-CE2 4Å; P442-F446 HydrophobicContact CB-CG 4.43Å; P442-F446 HydrophobicContact CG-CB 4.27Å; P442-F446 HydrophobicContact CG-CD1 4.45Å; P442-F446 HydrophobicContact CG-CD2 3.85Å; P442-F446 HydrophobicContact CG-CE2 4.37Å; P442-F446 HydrophobicContact CG-CG 3.92Å; S443-F446 WeakPolarHBondContact O-CB 3.38Å; S443-F446 PolarHBondContact O-N 3.13Å; S444-F446 PolarHBondContact O-N 2.82Å |
| 447 | L | 94.9 | Very high | 95 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -100.7 | 154.1 | 176.6 | -59.1 | -176.6 | 0 | 0 | 0 | 110.4 | K113 Y417 L420 V432 F441 S444 A451 L453 | K113-L447 WeakPolarHBondContact CE-O 3.34Å; K113-L447 PolarHBondContact NZ-O 2.96Å; Y417-L447 HydrophobicContact CD1-CD2 4.33Å; L420-L447 HydrophobicContact CD2-CD2 4.17Å; V432-L447 HydrophobicContact CB-CD2 4.45Å; V432-L447 HydrophobicContact CG2-CD2 4.09Å; F441-L447 HydrophobicContact CE2-CD1 4.07Å; F441-L447 HydrophobicContact CE2-CD2 4.35Å; F441-L447 HydrophobicContact CE2-CG 4.18Å; F441-L447 HydrophobicContact CZ-CD1 3.83Å; F441-L447 HydrophobicContact CZ-CG 4.17Å; S444-L447 PolarHBondContact O-N 3.43Å; L447-A451 HydrophobicContact CB-CB 4.22Å; L447-L453 HydrophobicContact CD1-CB 4.22Å |
| 448 | S | 90.5 | Very high | 95 | Very high | 15 Ų | 15 | 30 Ų | 30 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | trans | -69.2 | 170.5 | 167.7 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | A450 A451 | S448-A450 VanDerWaalsContact C-N 3.28Å; S448-A450 PolarHBondContact O-N 3.19Å; S448-A451 PolarHBondContact O-N 2.96Å; S448-A451 VanDerWaalsContact OG-CB 3.23Å; S448-A451 WeakPolarHBondContact OG-CB 3.27Å; S448-A451 PolarHBondContact OG-N 3.4Å | ||
| 449 | N | 85.6 | Confident | 94.9 | Very high | 121 Ų | 121 | 32.5 Ų | 32.5 | 65% | 0.647 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -69.6 | -28.6 | 179.1 | -69.7 | -11.2 | 0 | 0 | 0 | 112.7 | K113 | K113-N449 VanDerWaalsContact CE-OD1 3.24Å; K113-N449 WeakPolarHBondContact CE-OD1 3.42Å; K113-N449 PolarHBondContact NZ-OD1 3.46Å; K113-N449 VanDerWaalsContact NZ-OD1 3.09Å |
| 450 | A | 87.4 | Confident | 94.9 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -84.3 | -22.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q428 N429 S448 | Q428-A450 WeakPolarHBondContact O-CB 3.44Å; N429-A450 WeakPolarHBondContact OD1-CB 3.43Å; S448-A450 VanDerWaalsContact C-N 3.28Å; S448-A450 PolarHBondContact O-N 3.19Å |
| 451 | A | 92.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | trans | -78 | 143.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I424 A430 L447 S448 | I424-A451 HydrophobicContact CD1-CB 4.44Å; A430-A451 HydrophobicContact CB-CB 4.47Å; A430-A451 VanDerWaalsContact O-CA 3.24Å; A430-A451 WeakPolarHBondContact O-CA 3.47Å; L447-A451 HydrophobicContact CB-CB 4.22Å; S448-A451 PolarHBondContact O-N 2.96Å; S448-A451 VanDerWaalsContact OG-CB 3.23Å; S448-A451 WeakPolarHBondContact OG-CB 3.27Å; S448-A451 PolarHBondContact OG-N 3.4Å | ||
| 452 | K | 93.8 | Very high | 94.6 | Very high | 134 Ų | 134 | 33.5 Ų | 33.5 | 58% | 0.583 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.8 | 179 | -59.7 | -176.6 | -176.6 | -176.6 | 0 | 110.6 | A430 V432 | A430-K452 PolarHBondContact O-N 3.25Å; V432-K452 PolarHBondContact N-O 3.04Å |
| 453 | L | 96.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.8 | 171.1 | -169.5 | 74.4 | 0 | 0 | 0 | 109.9 | F64 L79 V432 V434 F441 L447 F455 | F64-L453 HydrophobicContact CE1-CD2 4.45Å; L79-L453 HydrophobicContact CD1-CD2 4.24Å; L79-L453 HydrophobicContact CD2-CD2 4.31Å; V432-L453 CarbonylContact O-C 3.58Å; V432-L453 WeakPolarHBondContact O-CA 3.46Å; V434-L453 HydrophobicContact CG1-CD1 4.07Å; V434-L453 HydrophobicContact CG2-CD1 3.87Å; V434-L453 HydrophobicContact CG2-CD2 4.44Å; V434-L453 HydrophobicContact CG2-CG 4.23Å; F441-L453 HydrophobicContact CD1-CD2 3.7Å; F441-L453 HydrophobicContact CD2-CD1 3.8Å; F441-L453 HydrophobicContact CD2-CD2 4.35Å; F441-L453 HydrophobicContact CE1-CD2 3.77Å; F441-L453 HydrophobicContact CE2-CD1 3.82Å; F441-L453 HydrophobicContact CE2-CD2 4.44Å; F441-L453 HydrophobicContact CG-CD1 4.2Å; F441-L453 HydrophobicContact CG-CD2 3.98Å; F441-L453 HydrophobicContact CZ-CD1 4.2Å; F441-L453 HydrophobicContact CZ-CD2 4.13Å; L447-L453 HydrophobicContact CD1-CB 4.22Å; L453-F455 HydrophobicContact CD2-CE1 3.96Å; L453-F455 HydrophobicContact CD2-CZ 3.78Å |
| 454 | G | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V432 C433 V434 | V432-G454 PolarHBondContact O-N 3.01Å; C433-G454 CarbonylContact C-O 3.53Å; C433-G454 VanDerWaalsContact CA-O 3.28Å; C433-G454 WeakPolarHBondContact CA-O 3Å; V434-G454 PolarHBondContact N-O 3.17Å |
| 455 | F | 97.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.3 | 177.8 | -59.7 | -75.1 | 0 | 0 | 0 | 110.6 | F64 L79 V434 W438 L453 L464 P465 Y496 L497 | F64-F455 HydrophobicContact CE1-CZ 4.46Å; L79-F455 HydrophobicContact CD2-CE2 3.63Å; L79-F455 HydrophobicContact CD2-CZ 3.65Å; V434-F455 HydrophobicContact CG2-CD1 3.73Å; V434-F455 HydrophobicContact CG2-CE1 3.95Å; V434-F455 CarbonylContact O-C 3.53Å; V434-F455 WeakPolarHBondContact O-CA 3.44Å; W438-F455 HydrophobicContact CB-CD1 3.99Å; W438-F455 HydrophobicContact CB-CE1 3.97Å; L453-F455 HydrophobicContact CD2-CE1 3.96Å; L453-F455 HydrophobicContact CD2-CZ 3.78Å; F455-L464 HydrophobicContact CB-CD1 3.87Å; F455-L464 HydrophobicContact CD1-CD1 4.05Å; F455-L464 HydrophobicContact CD1-CD2 4.46Å; F455-L464 HydrophobicContact CD2-CD1 4.48Å; F455-L464 HydrophobicContact CG-CD1 3.88Å; F455-P465 WeakPolarHBondContact CE2-O 3.29Å; F455-Y496 HydrophobicContact CB-CD1 4.4Å; F455-Y496 CarbonylContact O-C 3.58Å; F455-Y496 VanDerWaalsContact O-CA 3.32Å; F455-Y496 WeakPolarHBondContact O-CA 3.4Å; F455-L497 PolarHBondContact O-N 3.06Å |
| 456 | L | 96.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | trans | -94 | 150.2 | 165.1 | -66.5 | 178.8 | 0 | 0 | 0 | 109.3 | C433 V434 S458 L497 L505 | C433-L456 HydrophobicContact CB-CD1 4.18Å; C433-L456 HydrophobicContact CB-CG 4.06Å; V434-L456 PolarHBondContact O-N 3.44Å; L456-S458 PolarHBondContact O-N 3.48Å; L456-L497 WeakPolarHBondContact CD2-O 3.49Å; L456-L505 HydrophobicContact CD1-CD1 3.58Å; L456-L505 HydrophobicContact CD1-CD2 4.44Å | ||
| 457 | R | 96.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 39.8 Ų | 39.8 | 43% | 0.426 | 19% | 0.193 | S | C | . | . | trans | -64.6 | 127.1 | 172.4 | -165.9 | 173.3 | -165.9 | -167.3 | 1.3 | 109 | E491 Y496 L517 | R457-E491 IonicContact CZ-OE1 3.17Å; R457-E491 IonicContact NE-OE1 3.86Å; R457-E491 PolarHBondContact NE-OE1 3.4Å; R457-E491 VanDerWaalsContact NE-OE1 3.17Å; R457-E491 IonicContact NH2-OE1 3.85Å; R457-E491 PolarHBondContact NH2-OE1 3.09Å; R457-E491 IonicContact NH2-OE2 3.04Å; R457-Y496 HydrophobicContact CB-CD1 4.09Å; R457-Y496 HydrophobicContact CB-CD2 4.01Å; R457-Y496 HydrophobicContact CB-CE1 4.35Å; R457-Y496 HydrophobicContact CB-CE2 4.28Å; R457-Y496 HydrophobicContact CB-CG 3.91Å; R457-Y496 HydrophobicContact CG-CD2 4Å; R457-Y496 HydrophobicContact CG-CE1 4.42Å; R457-Y496 HydrophobicContact CG-CE2 3.84Å; R457-Y496 HydrophobicContact CG-CG 4.38Å; R457-L517 HydrophobicContact CG-CD2 4.32Å | ||
| 458 | S | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | trans | -124.3 | -168.1 | 177.2 | 59.2 | 0 | 0 | 0 | 0 | 108.6 | L456 F460 R461 E518 | L456-S458 PolarHBondContact O-N 3.48Å; S458-F460 PolarHBondContact O-N 2.65Å; S458-F460 PolarHBondContact OG-N 3.41Å; S458-R461 PolarHBondContact O-NH1 3.18Å; S458-E518 VanDerWaalsContact CB-OE1 3.32Å; S458-E518 WeakPolarHBondContact CB-OE1 2.97Å | ||
| 459 | E | 94.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -75.3 | -10.8 | 172.6 | -63.9 | -59.3 | 168 | 0 | 0 | 113.3 | R461 T515 E518 | E459-R461 VanDerWaalsContact CA-NH1 3.34Å; E459-R461 PolarHBondContact O-N 3.04Å; E459-R461 PolarHBondContact O-NH1 2.82Å; E459-R461 IonicContact OE2-CZ 3.81Å; E459-R461 IonicContact OE2-NH2 3.49Å; E459-R461 PolarHBondContact OE2-NH2 2.76Å; E459-T515 HydrophobicContact CG-CG2 4.34Å; E459-T515 VanDerWaalsContact OE1-CB 3.31Å; E459-T515 WeakPolarHBondContact OE1-CB 3.44Å; E459-T515 PolarHBondContact OE1-OG1 2.69Å; E459-E518 WeakPolarHBondContact CB-OE1 3.41Å; E459-E518 HydrophobicContact CG-CG 4.14Å; E459-E518 PolarHBondContact N-OE1 3.29Å |
| 460 | F | 94.7 | Very high | 95 | Very high | 63 Ų | 63 | 39.4 Ų | 39.4 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | trans | -65.3 | 128.9 | 172.6 | -176.9 | -108.5 | 0 | 0 | 0 | 110.9 | W438 S458 G462 L464 | W438-F460 AromaticContact CE2-CD1 3.93Å; W438-F460 AromaticContact CE2-CE1 3.99Å; W438-F460 HydrophobicContact CH2-CE1 4.37Å; W438-F460 HydrophobicContact CH2-CZ 4.14Å; W438-F460 HydrophobicContact CZ2-CD1 4.01Å; W438-F460 HydrophobicContact CZ2-CD2 4.08Å; W438-F460 AromaticContact CZ2-CE1 3.65Å; W438-F460 HydrophobicContact CZ2-CE1 3.65Å; W438-F460 AromaticContact CZ2-CE2 3.74Å; W438-F460 HydrophobicContact CZ2-CE2 3.74Å; W438-F460 HydrophobicContact CZ2-CG 4.21Å; W438-F460 AromaticContact CZ2-CZ 3.5Å; W438-F460 HydrophobicContact CZ2-CZ 3.5Å; W438-F460 AromaticContact NE1-CD1 3.66Å; W438-F460 AromaticContact NE1-CG 3.58Å; S458-F460 PolarHBondContact O-N 2.65Å; S458-F460 PolarHBondContact OG-N 3.41Å; F460-G462 VanDerWaalsContact CE1-C 3.49Å; F460-G462 VanDerWaalsContact CE1-CA 3.5Å; F460-G462 WeakPolarHBondContact CE1-O 3.39Å; F460-G462 VanDerWaalsContact CZ-CA 3.44Å; F460-L464 HydrophobicContact CD1-CD2 3.81Å; F460-L464 HydrophobicContact CD1-CG 4.12Å; F460-L464 HydrophobicContact CE1-CD2 3.67Å; F460-L464 HydrophobicContact CE1-CG 4.03Å | ||
| 461 | R | 94.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | trans | -118.4 | 17.6 | -177.9 | -60.5 | -71.8 | 178.5 | -79.2 | -14.2 | 113.1 | S458 E459 E491 | S458-R461 PolarHBondContact O-NH1 3.18Å; E459-R461 VanDerWaalsContact CA-NH1 3.34Å; E459-R461 PolarHBondContact O-N 3.04Å; E459-R461 PolarHBondContact O-NH1 2.82Å; E459-R461 IonicContact OE2-CZ 3.81Å; E459-R461 IonicContact OE2-NH2 3.49Å; E459-R461 PolarHBondContact OE2-NH2 2.76Å; R461-E491 HydrophobicContact CB-CB 4.44Å; R461-E491 VanDerWaalsContact CD-CD 3.47Å; R461-E491 WeakPolarHBondContact CD-OE2 3.17Å; R461-E491 IonicContact NE-OE2 3.54Å; R461-E491 WeakPolarHBondContact O-CA 3.49Å; R461-E491 VanDerWaalsContact O-CB 3.32Å; R461-E491 WeakPolarHBondContact O-CB 3.31Å; R461-E491 PolarHBondContact O-N 3.17Å | ||
| 462 | G | 93.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -90.7 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F460 L464 N489 | F460-G462 VanDerWaalsContact CE1-C 3.49Å; F460-G462 VanDerWaalsContact CE1-CA 3.5Å; F460-G462 WeakPolarHBondContact CE1-O 3.39Å; F460-G462 VanDerWaalsContact CZ-CA 3.44Å; G462-L464 PolarHBondContact O-N 2.79Å; G462-N489 WeakPolarHBondContact CA-O 3.11Å; G462-N489 WeakPolarHBondContact CA-OD1 3.25Å |
| 463 | Q | 94.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 119.5 | 175.5 | 175.2 | 70.3 | 63.9 | 0 | 0 | 109.9 | N486 N489 | Q463-N486 PolarHBondContact OE1-ND2 2.86Å; Q463-N489 PolarHBondContact N-OD1 3.03Å |
| 464 | L | 96.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -85.9 | 153.9 | 172.1 | -71.5 | 173 | 0 | 0 | 0 | 112.3 | W438 F455 F460 G462 R495 Y496 | W438-L464 HydrophobicContact CD2-CD2 3.49Å; W438-L464 VanDerWaalsContact CD2-CD2 3.49Å; W438-L464 HydrophobicContact CE3-CD2 3.76Å; W438-L464 HydrophobicContact CG-CD2 3.85Å; W438-L464 HydrophobicContact CH2-CD2 4.46Å; W438-L464 HydrophobicContact CZ2-CD2 4.23Å; W438-L464 HydrophobicContact CZ3-CD2 4.25Å; F455-L464 HydrophobicContact CB-CD1 3.87Å; F455-L464 HydrophobicContact CD1-CD1 4.05Å; F455-L464 HydrophobicContact CD1-CD2 4.46Å; F455-L464 HydrophobicContact CD2-CD1 4.48Å; F455-L464 HydrophobicContact CG-CD1 3.88Å; F460-L464 HydrophobicContact CD1-CD2 3.81Å; F460-L464 HydrophobicContact CD1-CG 4.12Å; F460-L464 HydrophobicContact CE1-CD2 3.67Å; F460-L464 HydrophobicContact CE1-CG 4.03Å; G462-L464 PolarHBondContact O-N 2.79Å; L464-R495 HydrophobicContact CB-CB 4.32Å; L464-R495 HydrophobicContact CB-CG 4.28Å; L464-Y496 HydrophobicContact CD1-CD1 4.32Å; L464-Y496 HydrophobicContact CD1-CE1 3.61Å |
| 465 | P | 97 | Very high | 95.3 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 153.2 | 174.3 | -21.6 | 32.7 | 0 | 0 | 0 | 112.6 | F64 L79 Q80 F455 | F64-P465 HydrophobicContact CB-CB 4.46Å; F64-P465 HydrophobicContact CB-CG 3.83Å; F64-P465 HydrophobicContact CD1-CB 3.94Å; F64-P465 HydrophobicContact CD1-CG 3.45Å; F64-P465 VanDerWaalsContact CD1-CG 3.45Å; F64-P465 HydrophobicContact CD2-CG 4.01Å; F64-P465 HydrophobicContact CE1-CB 4.5Å; F64-P465 HydrophobicContact CE1-CG 3.93Å; F64-P465 HydrophobicContact CE2-CG 4.45Å; F64-P465 HydrophobicContact CG-CB 4.32Å; F64-P465 HydrophobicContact CG-CG 3.48Å; F64-P465 VanDerWaalsContact CG-CG 3.48Å; F64-P465 HydrophobicContact CZ-CG 4.4Å; L79-P465 HydrophobicContact CB-CB 3.94Å; L79-P465 HydrophobicContact CD2-CB 3.87Å; Q80-P465 CarbonylContact O-C 3.05Å; Q80-P465 WeakPolarHBondContact O-CA 3.24Å; F455-P465 WeakPolarHBondContact CE2-O 3.29Å |
| 466 | K | 95.9 | Very high | 95.3 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.2 | 176.9 | -166.3 | -170.4 | -170.4 | 171.5 | 0 | 109.8 | L79 Q80 P482 T483 M485 | L79-K466 CarbonylContact C-O 3.59Å; L79-K466 WeakPolarHBondContact CA-O 3.34Å; Q80-K466 WeakPolarHBondContact CG-O 3.41Å; Q80-K466 PolarHBondContact N-O 3.06Å; Q80-K466 PolarHBondContact O-N 2.99Å; K466-P482 HydrophobicContact CD-CB 3.97Å; K466-T483 PolarHBondContact NZ-O 3.14Å; K466-T483 PolarHBondContact NZ-OG1 3.15Å; K466-M485 HydrophobicContact CB-CE 3.89Å |
| 467 | P | 95.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 141 | 166.5 | -25.3 | 35.2 | 0 | 0 | 0 | 112.1 | G78 | G78-P467 WeakPolarHBondContact O-CA 3.16Å |
| 468 | F | 96.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -64.1 | 157.6 | 164.3 | -75.7 | -82.9 | 0 | 0 | 0 | 110.7 | P69 L72 G78 L79 Q80 T470 T478 | P69-F468 HydrophobicContact CB-CE2 4.38Å; P69-F468 HydrophobicContact CB-CZ 4.47Å; P69-F468 HydrophobicContact CG-CE2 4.38Å; L72-F468 HydrophobicContact CB-CD2 4.04Å; L72-F468 HydrophobicContact CB-CE2 4.15Å; L72-F468 HydrophobicContact CD1-CB 3.75Å; L72-F468 HydrophobicContact CD1-CD2 4.18Å; L72-F468 HydrophobicContact CD1-CG 3.98Å; L72-F468 HydrophobicContact CD2-CB 4.25Å; L72-F468 HydrophobicContact CD2-CD1 3.59Å; L72-F468 HydrophobicContact CD2-CD2 3.67Å; L72-F468 HydrophobicContact CD2-CE1 3.62Å; L72-F468 HydrophobicContact CD2-CE2 3.69Å; L72-F468 HydrophobicContact CD2-CG 3.59Å; L72-F468 HydrophobicContact CD2-CZ 3.63Å; L72-F468 HydrophobicContact CG-CD2 4.16Å; L72-F468 HydrophobicContact CG-CE2 4.43Å; L72-F468 HydrophobicContact CG-CG 4.25Å; G78-F468 WeakPolarHBondContact O-CD2 3.38Å; G78-F468 PolarHBondContact O-N 3.17Å; L79-F468 VanDerWaalsContact O-CE2 3.26Å; L79-F468 WeakPolarHBondContact O-CE2 3.44Å; Q80-F468 HydrophobicContact CB-CD1 4.25Å; Q80-F468 HydrophobicContact CB-CD2 4.07Å; Q80-F468 HydrophobicContact CB-CE1 3.75Å; Q80-F468 HydrophobicContact CB-CE2 3.57Å; Q80-F468 HydrophobicContact CB-CG 4.42Å; Q80-F468 HydrophobicContact CB-CZ 3.43Å; Q80-F468 VanDerWaalsContact CB-CZ 3.43Å; Q80-F468 VanDerWaalsContact CD-CD1 3.41Å; Q80-F468 VanDerWaalsContact CD-CE1 3.44Å; Q80-F468 HydrophobicContact CG-CD1 3.86Å; Q80-F468 HydrophobicContact CG-CD2 4.05Å; Q80-F468 HydrophobicContact CG-CE1 3.85Å; Q80-F468 HydrophobicContact CG-CE2 4.05Å; Q80-F468 HydrophobicContact CG-CG 3.99Å; Q80-F468 HydrophobicContact CG-CZ 3.99Å; F468-T470 PolarHBondContact O-N 2.62Å; F468-T478 HydrophobicContact CE1-CG2 4.49Å | ||
| 469 | N | 94.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | trans | -77.1 | 108.2 | 177.7 | -172.9 | -15.7 | 0 | 0 | 0 | 109.6 | D471 L472 S477 L480 | N469-D471 VanDerWaalsContact C-N 3.29Å; N469-D471 WeakPolarHBondContact OD1-CB 3.13Å; N469-D471 PolarHBondContact OD1-N 2.64Å; N469-L472 HydrophobicContact CB-CD1 4.43Å; N469-S477 PolarHBondContact N-OG 3.31Å; N469-S477 WeakPolarHBondContact O-CB 3.37Å; N469-S477 PolarHBondContact O-OG 3.45Å; N469-L480 HydrophobicContact CB-CD2 4.03Å | ||
| 470 | T | 92.2 | Very high | 95.4 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.2 | -179.5 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | F468 L472 | F468-T470 PolarHBondContact O-N 2.62Å; T470-L472 VanDerWaalsContact C-N 3.28Å |
| 471 | D | 94 | Very high | 95.5 | Very high | 144 Ų | 144 | 53 Ų | 53 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.1 | -179.9 | -54.3 | -28.6 | 0 | 0 | 0 | 112 | N469 | N469-D471 VanDerWaalsContact C-N 3.29Å; N469-D471 WeakPolarHBondContact OD1-CB 3.13Å; N469-D471 PolarHBondContact OD1-N 2.64Å |
| 472 | L | 94.9 | Very high | 95.5 | Very high | 61 Ų | 61 | 49 Ų | 49 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -105.7 | 139.8 | 178 | -64.3 | 176.8 | 0 | 0 | 0 | 110.7 | N469 T470 E476 L480 | N469-L472 HydrophobicContact CB-CD1 4.43Å; T470-L472 VanDerWaalsContact C-N 3.28Å; L472-E476 HydrophobicContact CB-CB 4.21Å; L472-L480 HydrophobicContact CD1-CD2 4.29Å |
| 473 | P | 95.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 53 Ų | 53 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | trans | -66.3 | 158.3 | 172.9 | 29.8 | -34.9 | 0 | 0 | 0 | 111.1 | E476 S477 | P473-E476 WeakPolarHBondContact CD-OE2 3.47Å; P473-E476 HydrophobicContact CG-CB 4.49Å; P473-E476 HydrophobicContact CG-CG 4.38Å; P473-E476 WeakPolarHBondContact O-CA 3.44Å; P473-E476 WeakPolarHBondContact O-CB 3.19Å; P473-E476 PolarHBondContact O-N 3.28Å; P473-S477 PolarHBondContact O-N 3.36Å | ||
| 474 | I | 95.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 57.3 Ų | 57.3 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 129.6 | 167.1 | -62.6 | 174.6 | 0 | 0 | 0 | 107.2 | L72 F250 | L72-I474 HydrophobicContact CD1-CD1 4.22Å; L72-I474 HydrophobicContact CG-CD1 3.95Å; L72-I474 VanDerWaalsContact O-CD1 3.27Å; L72-I474 WeakPolarHBondContact O-CD1 3.3Å; F250-I474 HydrophobicContact CD1-CG2 4.2Å; F250-I474 HydrophobicContact CE1-CG2 3.59Å |
| 475 | P | 94.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -100 | 6.5 | 15.1 | 40.4 | -39.8 | 0 | 0 | 0 | 115.4 | Y249 F250 S477 T478 R479 | Y249-P475 HydrophobicContact CD1-CB 4.2Å; Y249-P475 HydrophobicContact CD1-CG 4.37Å; Y249-P475 HydrophobicContact CE1-CB 3.72Å; Y249-P475 HydrophobicContact CE1-CG 3.67Å; Y249-P475 HydrophobicContact CE2-CG 4.07Å; Y249-P475 WeakPolarHBondContact OH-CD 3.26Å; F250-P475 HydrophobicContact CD1-CB 4.2Å; P475-S477 VanDerWaalsContact C-N 3.27Å; P475-S477 PolarHBondContact O-N 2.94Å; P475-T478 PolarHBondContact O-N 2.88Å; P475-T478 VanDerWaalsContact O-N 3.12Å; P475-T478 PolarHBondContact O-OG1 2.6Å; P475-R479 VanDerWaalsContact O-CG 3.24Å; P475-R479 WeakPolarHBondContact O-CG 3.23Å; P475-R479 PolarHBondContact O-N 3.31Å |
| 476 | E | 96.7 | Very high | 95 | Very high | 102 Ų | 102 | 59.6 Ų | 59.6 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | -179.6 | -64.6 | 176.7 | -179.4 | 0 | 0 | 111.9 | L472 P473 T478 R479 L480 | L472-E476 HydrophobicContact CB-CB 4.21Å; P473-E476 WeakPolarHBondContact CD-OE2 3.47Å; P473-E476 HydrophobicContact CG-CB 4.49Å; P473-E476 HydrophobicContact CG-CG 4.38Å; P473-E476 WeakPolarHBondContact O-CA 3.44Å; P473-E476 WeakPolarHBondContact O-CB 3.19Å; P473-E476 PolarHBondContact O-N 3.28Å; E476-T478 VanDerWaalsContact C-N 3.31Å; E476-T478 PolarHBondContact O-N 3.04Å; E476-R479 PolarHBondContact O-N 3.31Å; E476-L480 PolarHBondContact O-N 2.94Å; E476-L480 VanDerWaalsContact O-N 3.15Å |
| 477 | S | 96.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 113.1 | N469 P473 P475 | N469-S477 PolarHBondContact N-OG 3.31Å; N469-S477 WeakPolarHBondContact O-CB 3.37Å; N469-S477 PolarHBondContact O-OG 3.45Å; P473-S477 PolarHBondContact O-N 3.36Å; P475-S477 VanDerWaalsContact C-N 3.27Å; P475-S477 PolarHBondContact O-N 2.94Å |
| 478 | T | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.6 | -21.9 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 113 | L72 P86 Y93 F250 F468 P475 E476 | L72-T478 HydrophobicContact CD2-CG2 3.61Å; P86-T478 VanDerWaalsContact CG-O 3.22Å; P86-T478 WeakPolarHBondContact CG-O 3.01Å; Y93-T478 HydrophobicContact CE1-CG2 3.9Å; Y93-T478 WeakPolarHBondContact OH-CB 3.47Å; Y93-T478 WeakPolarHBondContact OH-CG2 3.37Å; F250-T478 HydrophobicContact CD1-CG2 4.09Å; F250-T478 CarbonylContact O-C 3.37Å; F250-T478 WeakPolarHBondContact O-CB 3.45Å; F250-T478 PolarHBondContact O-OG1 3.12Å; F468-T478 HydrophobicContact CE1-CG2 4.49Å; P475-T478 PolarHBondContact O-N 2.88Å; P475-T478 VanDerWaalsContact O-N 3.12Å; P475-T478 PolarHBondContact O-OG1 2.6Å; E476-T478 VanDerWaalsContact C-N 3.31Å; E476-T478 PolarHBondContact O-N 3.04Å |
| 479 | R | 97.3 | Very high | 94.4 | Very high | 101 Ų | 101 | 61.1 Ų | 61.1 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -83.9 | -14.8 | 176.5 | -69 | 174.6 | -174.8 | 174.3 | 3.7 | 113.3 | P86 Y249 F250 P475 E476 I481 | P86-R479 WeakPolarHBondContact CG-O 3.35Å; Y249-R479 VanDerWaalsContact O-CZ 3.29Å; Y249-R479 PolarHBondContact O-NE 3.27Å; Y249-R479 PolarHBondContact O-NH2 3.41Å; F250-R479 WeakPolarHBondContact O-CG 3.27Å; F250-R479 PolarHBondContact O-N 3.43Å; P475-R479 VanDerWaalsContact O-CG 3.24Å; P475-R479 WeakPolarHBondContact O-CG 3.23Å; P475-R479 PolarHBondContact O-N 3.31Å; E476-R479 PolarHBondContact O-N 3.31Å; R479-I481 PolarHBondContact O-N 2.65Å |
| 480 | L | 96.4 | Very high | 94.3 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 41% | 0.414 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -69.6 | 128.5 | 176.9 | -176.5 | 65.9 | 0 | 0 | 0 | 110.1 | N469 L472 E476 P482 | N469-L480 HydrophobicContact CB-CD2 4.03Å; L472-L480 HydrophobicContact CD1-CD2 4.29Å; E476-L480 PolarHBondContact O-N 2.94Å; E476-L480 VanDerWaalsContact O-N 3.15Å; L480-P482 WeakPolarHBondContact O-CD 3.24Å |
| 481 | I | 96.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 61 Ų | 61 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | trans | -75.3 | 113.4 | 170 | -60.7 | 175.2 | 0 | 0 | 0 | 107.8 | P86 R479 T483 | P86-I481 HydrophobicContact CB-CG1 4.23Å; P86-I481 HydrophobicContact CG-CG1 4.48Å; R479-I481 PolarHBondContact O-N 2.65Å; I481-T483 PolarHBondContact O-N 3.18Å | ||
| 482 | P | 94.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | trans | -64.5 | 129 | -178.7 | 24.9 | -34 | 0 | 0 | 0 | 111.1 | K466 L480 M485 | K466-P482 HydrophobicContact CD-CB 3.97Å; L480-P482 WeakPolarHBondContact O-CD 3.24Å; P482-M485 HydrophobicContact CB-CB 4.45Å; P482-M485 HydrophobicContact CB-SD 3.88Å; P482-M485 HydrophobicContact CG-CB 4.23Å; P482-M485 HydrophobicContact CG-CE 4.46Å; P482-M485 HydrophobicContact CG-CG 4.42Å; P482-M485 HydrophobicContact CG-SD 3.24Å; P482-M485 WeakPolarHBondContact CG-SD 3.11Å | ||
| 483 | T | 93.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -64.3 | 153.5 | 169.2 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | K466 I481 R495 | K466-T483 PolarHBondContact NZ-O 3.14Å; K466-T483 PolarHBondContact NZ-OG1 3.15Å; I481-T483 PolarHBondContact O-N 3.18Å; T483-R495 PolarHBondContact O-NH2 3.34Å |
| 484 | H | 93.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 60.1 | 45 | 174.4 | -59.5 | -72.4 | 0 | 0 | 0 | 113.1 | E492 S494 R495 | H484-E492 HydrophobicContact CB-CG 3.93Å; H484-E492 WeakPolarHBondContact CB-OE2 3.25Å; H484-E492 IonicContact ND1-OE1 3.33Å; H484-E492 IonicContact ND1-OE2 2.8Å; H484-E492 WeakPolarHBondContact O-CG 3.48Å; H484-S494 WeakPolarHBondContact CB-OG 3.48Å; H484-R495 PolarHBondContact O-NH2 2.99Å |
| 485 | M | 92.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | trans | -136 | 129.5 | -177.5 | -162.9 | 172.1 | -120.3 | 0 | 0 | 108.9 | Q80 W82 K466 P482 | Q80-M485 HydrophobicContact CG-CE 4.36Å; Q80-M485 VanDerWaalsContact O-CE 3.22Å; Q80-M485 WeakPolarHBondContact O-CE 3.35Å; W82-M485 WeakPolarHBondContact CA-SD 3.49Å; W82-M485 HydrophobicContact CB-CG 3.56Å; W82-M485 HydrophobicContact CB-SD 3.98Å; K466-M485 HydrophobicContact CB-CE 3.89Å; P482-M485 HydrophobicContact CB-CB 4.45Å; P482-M485 HydrophobicContact CB-SD 3.88Å; P482-M485 HydrophobicContact CG-CB 4.23Å; P482-M485 HydrophobicContact CG-CE 4.46Å; P482-M485 HydrophobicContact CG-CG 4.42Å; P482-M485 HydrophobicContact CG-SD 3.24Å; P482-M485 WeakPolarHBondContact CG-SD 3.11Å | ||
| 486 | N | 92.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | trans | -128.7 | 153.9 | -175.3 | 74.2 | 83.6 | 0 | 0 | 0 | 112 | Q463 M488 N489 V490 | Q463-N486 PolarHBondContact OE1-ND2 2.86Å; N486-M488 VanDerWaalsContact C-N 3.34Å; N486-M488 VanDerWaalsContact OD1-C 3.28Å; N486-M488 WeakPolarHBondContact OD1-CA 3.2Å; N486-M488 PolarHBondContact OD1-N 3.46Å; N486-N489 PolarHBondContact OD1-N 2.86Å; N486-V490 PolarHBondContact ND2-O 3.43Å; N486-V490 PolarHBondContact OD1-N 2.61Å | ||
| 487 | D | 90.4 | Very high | 94.6 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -93.9 | 10.5 | 176.5 | 58.4 | -43.9 | 0 | 0 | 0 | 113.3 | W82 Y88 | W82-D487 HydrophobicContact CD2-CB 4.08Å; W82-D487 HydrophobicContact CE3-CB 3.58Å; W82-D487 HydrophobicContact CH2-CB 4.24Å; W82-D487 HydrophobicContact CZ3-CB 3.67Å; Y88-D487 HydrophobicContact CD1-CB 4.23Å; Y88-D487 HydrophobicContact CE1-CB 3.56Å; Y88-D487 WeakPolarHBondContact CE1-OD2 3.5Å; Y88-D487 HydrophobicContact CE2-CB 4.27Å; Y88-D487 VanDerWaalsContact CZ-CG 3.49Å; Y88-D487 VanDerWaalsContact OH-CG 3.23Å; Y88-D487 PolarHBondContact OH-OD1 3.01Å |
| 488 | M | 91.7 | Very high | 94.6 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -107.8 | 10.3 | -178.2 | -64.1 | -59.7 | -62.8 | 0 | 0 | 112.7 | Y270 L274 N486 V490 | Y270-M488 HydrophobicContact CD1-CE 4.1Å; Y270-M488 HydrophobicContact CD2-CE 3.84Å; Y270-M488 HydrophobicContact CD2-SD 3.77Å; Y270-M488 HydrophobicContact CE1-CE 4.05Å; Y270-M488 HydrophobicContact CE2-CE 3.79Å; Y270-M488 HydrophobicContact CE2-SD 3.87Å; Y270-M488 HydrophobicContact CG-CE 4Å; Y270-M488 HydrophobicContact CG-SD 4.39Å; L274-M488 VanDerWaalsContact CD2-C 3.44Å; N486-M488 VanDerWaalsContact C-N 3.34Å; N486-M488 VanDerWaalsContact OD1-C 3.28Å; N486-M488 WeakPolarHBondContact OD1-CA 3.2Å; N486-M488 PolarHBondContact OD1-N 3.46Å; M488-V490 HydrophobicContact CB-CG2 3.88Å; M488-V490 PolarHBondContact O-N 2.8Å; M488-V490 VanDerWaalsContact O-N 3.11Å |
| 489 | N | 92.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | trans | 49.8 | 35 | -179.6 | -168 | 31 | 0 | 0 | 0 | 113.3 | L274 Y275 G462 Q463 N486 | L274-N489 HydrophobicContact CD2-CB 3.85Å; L274-N489 HydrophobicContact CG-CB 4.06Å; Y275-N489 HydrophobicContact CD1-CB 4.46Å; Y275-N489 HydrophobicContact CE1-CB 3.89Å; G462-N489 WeakPolarHBondContact CA-O 3.11Å; G462-N489 WeakPolarHBondContact CA-OD1 3.25Å; Q463-N489 PolarHBondContact N-OD1 3.03Å; N486-N489 PolarHBondContact OD1-N 2.86Å | ||
| 490 | V | 93.9 | Very high | 94.1 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | trans | -84.1 | 141.5 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | N486 M488 E492 | N486-V490 PolarHBondContact ND2-O 3.43Å; N486-V490 PolarHBondContact OD1-N 2.61Å; M488-V490 HydrophobicContact CB-CG2 3.88Å; M488-V490 PolarHBondContact O-N 2.8Å; M488-V490 VanDerWaalsContact O-N 3.11Å; V490-E492 PolarHBondContact O-N 2.86Å | ||
| 491 | E | 95.8 | Very high | 94 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | trans | -47.9 | 131.2 | 173.1 | -168.2 | -177.1 | -175.8 | 0 | 0 | 110.3 | R457 R461 Y496 | R457-E491 IonicContact CZ-OE1 3.17Å; R457-E491 IonicContact NE-OE1 3.86Å; R457-E491 PolarHBondContact NE-OE1 3.4Å; R457-E491 VanDerWaalsContact NE-OE1 3.17Å; R457-E491 IonicContact NH2-OE1 3.85Å; R457-E491 PolarHBondContact NH2-OE1 3.09Å; R457-E491 IonicContact NH2-OE2 3.04Å; R461-E491 HydrophobicContact CB-CB 4.44Å; R461-E491 VanDerWaalsContact CD-CD 3.47Å; R461-E491 WeakPolarHBondContact CD-OE2 3.17Å; R461-E491 IonicContact NE-OE2 3.54Å; R461-E491 WeakPolarHBondContact O-CA 3.49Å; R461-E491 VanDerWaalsContact O-CB 3.32Å; R461-E491 WeakPolarHBondContact O-CB 3.31Å; R461-E491 PolarHBondContact O-N 3.17Å; E491-Y496 HydrophobicContact CG-CE2 4.27Å; E491-Y496 WeakPolarHBondContact CG-OH 3.37Å; E491-Y496 PolarHBondContact OE1-OH 3.1Å | ||
| 492 | E | 95.9 | Very high | 94 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | trans | -119.3 | 97.6 | 175 | 176.1 | 54.2 | -116.1 | 0 | 0 | 109.6 | H484 V490 S494 R495 | H484-E492 HydrophobicContact CB-CG 3.93Å; H484-E492 WeakPolarHBondContact CB-OE2 3.25Å; H484-E492 IonicContact ND1-OE1 3.33Å; H484-E492 IonicContact ND1-OE2 2.8Å; H484-E492 WeakPolarHBondContact O-CG 3.48Å; V490-E492 PolarHBondContact O-N 2.86Å; E492-S494 VanDerWaalsContact CD-OG 3.23Å; E492-S494 VanDerWaalsContact CG-OG 3.29Å; E492-S494 WeakPolarHBondContact CG-OG 3.43Å; E492-S494 PolarHBondContact O-N 3.37Å; E492-S494 VanDerWaalsContact O-N 3.15Å; E492-S494 VanDerWaalsContact OE1-CB 3.27Å; E492-S494 WeakPolarHBondContact OE1-CB 3.31Å; E492-S494 PolarHBondContact OE1-N 3.32Å; E492-S494 VanDerWaalsContact OE1-N 3.17Å; E492-S494 PolarHBondContact OE1-OG 3.07Å; E492-R495 HydrophobicContact CB-CG 4.25Å; E492-R495 HydrophobicContact CG-CG 4.09Å; E492-R495 WeakPolarHBondContact O-CB 3.42Å; E492-R495 WeakPolarHBondContact O-CG 3.38Å; E492-R495 PolarHBondContact O-N 3.42Å; E492-R495 VanDerWaalsContact O-N 3.14Å | ||
| 493 | P | 95.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -61.4 | -24.4 | -174.4 | -26.1 | 35.6 | 0 | 0 | 0 | 114.7 | R495 Y496 | P493-R495 PolarHBondContact O-N 3Å; P493-Y496 HydrophobicContact CB-CD2 4.42Å; P493-Y496 WeakPolarHBondContact O-CD2 3.32Å; P493-Y496 PolarHBondContact O-N 3.21Å |
| 494 | S | 95.3 | Very high | 94.2 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.7 | -8.6 | 177.5 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | H484 E492 | H484-S494 WeakPolarHBondContact CB-OG 3.48Å; E492-S494 VanDerWaalsContact CD-OG 3.23Å; E492-S494 VanDerWaalsContact CG-OG 3.29Å; E492-S494 WeakPolarHBondContact CG-OG 3.43Å; E492-S494 PolarHBondContact O-N 3.37Å; E492-S494 VanDerWaalsContact O-N 3.15Å; E492-S494 VanDerWaalsContact OE1-CB 3.27Å; E492-S494 WeakPolarHBondContact OE1-CB 3.31Å; E492-S494 PolarHBondContact OE1-N 3.32Å; E492-S494 VanDerWaalsContact OE1-N 3.17Å; E492-S494 PolarHBondContact OE1-OG 3.07Å |
| 495 | R | 94.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -79.3 | -19.3 | 175.8 | -64.4 | -64.4 | 175.7 | -84.7 | -2.2 | 113.9 | L464 T483 H484 E492 P493 | L464-R495 HydrophobicContact CB-CB 4.32Å; L464-R495 HydrophobicContact CB-CG 4.28Å; T483-R495 PolarHBondContact O-NH2 3.34Å; H484-R495 PolarHBondContact O-NH2 2.99Å; E492-R495 HydrophobicContact CB-CG 4.25Å; E492-R495 HydrophobicContact CG-CG 4.09Å; E492-R495 WeakPolarHBondContact O-CB 3.42Å; E492-R495 WeakPolarHBondContact O-CG 3.38Å; E492-R495 PolarHBondContact O-N 3.42Å; E492-R495 VanDerWaalsContact O-N 3.14Å; P493-R495 PolarHBondContact O-N 3Å |
| 496 | Y | 96.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -85.5 | 135.4 | -173 | -53.3 | -52.3 | 0 | 0 | 0 | 111.8 | F455 R457 L464 E491 P493 | F455-Y496 HydrophobicContact CB-CD1 4.4Å; F455-Y496 CarbonylContact O-C 3.58Å; F455-Y496 VanDerWaalsContact O-CA 3.32Å; F455-Y496 WeakPolarHBondContact O-CA 3.4Å; R457-Y496 HydrophobicContact CB-CD1 4.09Å; R457-Y496 HydrophobicContact CB-CD2 4.01Å; R457-Y496 HydrophobicContact CB-CE1 4.35Å; R457-Y496 HydrophobicContact CB-CE2 4.28Å; R457-Y496 HydrophobicContact CB-CG 3.91Å; R457-Y496 HydrophobicContact CG-CD2 4Å; R457-Y496 HydrophobicContact CG-CE1 4.42Å; R457-Y496 HydrophobicContact CG-CE2 3.84Å; R457-Y496 HydrophobicContact CG-CG 4.38Å; L464-Y496 HydrophobicContact CD1-CD1 4.32Å; L464-Y496 HydrophobicContact CD1-CE1 3.61Å; E491-Y496 HydrophobicContact CG-CE2 4.27Å; E491-Y496 WeakPolarHBondContact CG-OH 3.37Å; E491-Y496 PolarHBondContact OE1-OH 3.1Å; P493-Y496 HydrophobicContact CB-CD2 4.42Å; P493-Y496 WeakPolarHBondContact O-CD2 3.32Å; P493-Y496 PolarHBondContact O-N 3.21Å |
| 497 | L | 96 | Very high | 94.8 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 156.2 | 167.9 | -60.3 | -175.6 | 0 | 0 | 0 | 110.2 | T431 F455 L456 | T431-L497 HydrophobicContact CG2-CD1 3.68Å; F455-L497 PolarHBondContact O-N 3.06Å; L456-L497 WeakPolarHBondContact CD2-O 3.49Å |
| 498 | S | 95.1 | Very high | 95 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -74 | 146.7 | 167.4 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | G500 Q501 | S498-G500 PolarHBondContact O-N 2.78Å; S498-G500 VanDerWaalsContact O-N 3.1Å; S498-Q501 WeakPolarHBondContact O-CB 3.44Å; S498-Q501 PolarHBondContact O-N 3.1Å; S498-Q501 VanDerWaalsContact OG-CD 3.29Å; S498-Q501 WeakPolarHBondContact OG-CG 3.44Å; S498-Q501 PolarHBondContact OG-OE1 3.3Å |
| 499 | M | 92.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -56.2 | -30.8 | 177.2 | -164.5 | -176.5 | -49.8 | 0 | 0 | 112.3 | Q501 C502 Y521 W528 | M499-Q501 PolarHBondContact O-N 3.11Å; M499-Q501 VanDerWaalsContact O-N 3.17Å; M499-C502 WeakPolarHBondContact O-CB 3.31Å; M499-C502 PolarHBondContact O-N 3.18Å; M499-C502 VanDerWaalsContact O-N 3.15Å; M499-Y521 HydrophobicContact CE-CD1 4.48Å; M499-Y521 HydrophobicContact CE-CE1 3.53Å; M499-Y521 HydrophobicContact SD-CD1 4.38Å; M499-Y521 HydrophobicContact SD-CE1 3.92Å; M499-W528 HydrophobicContact CG-CZ2 4.1Å |
| 500 | G | 92.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 49% | 0.485 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -62.7 | -16 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | S498 R568 | S498-G500 PolarHBondContact O-N 2.78Å; S498-G500 VanDerWaalsContact O-N 3.1Å; G500-R568 VanDerWaalsContact CA-NH1 3.34Å; G500-R568 PolarHBondContact O-NH1 2.92Å |
| 501 | Q | 94.3 | Very high | 94.1 | Very high | 105 Ų | 105 | 43.6 Ų | 43.6 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -93.6 | -9.6 | 178.1 | -68.8 | 164.6 | -49.9 | 0 | 0 | 112.9 | T431 S498 M499 | T431-Q501 VanDerWaalsContact CB-O 3.31Å; T431-Q501 WeakPolarHBondContact CB-O 3.5Å; S498-Q501 WeakPolarHBondContact O-CB 3.44Å; S498-Q501 PolarHBondContact O-N 3.1Å; S498-Q501 VanDerWaalsContact OG-CD 3.29Å; S498-Q501 WeakPolarHBondContact OG-CG 3.44Å; S498-Q501 PolarHBondContact OG-OE1 3.3Å; M499-Q501 PolarHBondContact O-N 3.11Å; M499-Q501 VanDerWaalsContact O-N 3.17Å |
| 502 | C | 95.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | trans | -80.9 | 130.4 | -176.6 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | C433 M499 W528 R568 | C433-C502 HydrophobicContact CB-CB 3.69Å; C433-C502 WeakPolarHBondContact CB-SG 3.28Å; C433-C502 VanDerWaalsContact SG-CA 3.53Å; C433-C502 WeakPolarHBondContact SG-CB 3.22Å; C433-C502 CovalentContact SG-SG 2.02Å; C433-C502 PolarHBondContact SG-SG 3.09Å; M499-C502 WeakPolarHBondContact O-CB 3.31Å; M499-C502 PolarHBondContact O-N 3.18Å; M499-C502 VanDerWaalsContact O-N 3.15Å; C502-W528 HydrophobicContact CB-CH2 3.87Å; C502-R568 WeakPolarHBondContact O-CD 3.45Å | ||
| 503 | T | 95.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -92 | -44.5 | 171.2 | -45.2 | 0 | 0 | 0 | 0 | 110.6 | A430 T431 R568 | A430-T503 HydrophobicContact CB-CG2 4.25Å; T431-T503 PolarHBondContact N-OG1 3.03Å; T431-T503 VanDerWaalsContact N-OG1 3.09Å; T431-T503 PolarHBondContact O-N 3.36Å; T503-R568 PolarHBondContact O-N 3.26Å |
| 504 | Y | 96.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 7% | 0.071 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.9 | 174.7 | -60 | -80 | 0 | 0 | 0 | 109.4 | L420 I424 A430 T431 V432 C433 L566 | L420-Y504 HydrophobicContact CD1-CD1 3.86Å; L420-Y504 HydrophobicContact CD1-CD2 3.87Å; L420-Y504 HydrophobicContact CD1-CE1 4.22Å; L420-Y504 HydrophobicContact CD1-CE2 4.24Å; L420-Y504 HydrophobicContact CD1-CG 3.67Å; I424-Y504 HydrophobicContact CD1-CD2 3.89Å; I424-Y504 HydrophobicContact CD1-CE2 3.57Å; I424-Y504 HydrophobicContact CG1-CD2 4.33Å; I424-Y504 HydrophobicContact CG1-CE2 3.54Å; A430-Y504 HydrophobicContact CB-CD2 3.94Å; A430-Y504 HydrophobicContact CB-CE2 3.72Å; T431-Y504 PolarHBondContact O-N 2.83Å; T431-Y504 VanDerWaalsContact O-N 3.09Å; V432-Y504 HydrophobicContact CG2-CD2 4.37Å; C433-Y504 PolarHBondContact N-O 2.88Å; Y504-L566 CarbonylContact C-O 3.08Å; Y504-L566 WeakPolarHBondContact CA-O 3.48Å |
| 505 | L | 97 | Very high | 92 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 125 | 177.1 | 175.1 | 60.6 | 0 | 0 | 0 | 109.3 | C433 L456 D507 Y521 W528 L566 | C433-L505 HydrophobicContact CB-CD1 4Å; C433-L505 WeakPolarHBondContact O-CA 3.43Å; C433-L505 WeakPolarHBondContact O-CD1 3.28Å; L456-L505 HydrophobicContact CD1-CD1 3.58Å; L456-L505 HydrophobicContact CD1-CD2 4.44Å; L505-D507 HydrophobicContact CG-CB 4.46Å; L505-Y521 HydrophobicContact CD2-CD1 3.61Å; L505-Y521 HydrophobicContact CD2-CD2 3.75Å; L505-Y521 HydrophobicContact CD2-CE1 4.16Å; L505-Y521 HydrophobicContact CD2-CE2 4.3Å; L505-Y521 HydrophobicContact CD2-CG 3.37Å; L505-W528 HydrophobicContact CB-CE3 4.19Å; L505-W528 HydrophobicContact CB-CH2 3.76Å; L505-W528 HydrophobicContact CB-CZ2 4.19Å; L505-W528 HydrophobicContact CB-CZ3 3.75Å; L505-W528 HydrophobicContact CD2-CD2 4.42Å; L505-W528 HydrophobicContact CD2-CH2 4.26Å; L505-W528 HydrophobicContact CD2-CZ2 3.82Å; L505-L566 HydrophobicContact CB-CB 4.25Å; L505-L566 HydrophobicContact CD2-CD1 4.23Å; L505-L566 HydrophobicContact CG-CD1 4.47Å; L505-L566 PolarHBondContact N-O 2.93Å; L505-L566 WeakPolarHBondContact O-CB 3.38Å; L505-L566 PolarHBondContact O-N 2.9Å |
| 506 | V | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.2 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | Y417 V432 C433 V434 Y563 V564 L565 | Y417-V506 HydrophobicContact CE1-CG2 4.03Å; Y417-V506 HydrophobicContact CE2-CG1 4.05Å; Y417-V506 HydrophobicContact CE2-CG2 4.33Å; V432-V506 HydrophobicContact CG1-CG2 4.44Å; C433-V506 PolarHBondContact O-N 3.05Å; V434-V506 HydrophobicContact CG1-CB 4.12Å; V506-Y563 HydrophobicContact CG1-CD1 4.45Å; V506-Y563 HydrophobicContact CG1-CE1 3.45Å; V506-Y563 VanDerWaalsContact CG1-CE1 3.45Å; V506-Y563 HydrophobicContact CG1-CE2 4.39Å; V506-Y563 VanDerWaalsContact CG1-CZ 3.42Å; V506-Y563 WeakPolarHBondContact CG1-OH 3.38Å; V506-V564 WeakPolarHBondContact CA-O 3.35Å; V506-L565 HydrophobicContact CG2-CD1 3.59Å |
| 507 | D | 96.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 174.9 | -174.5 | -167.4 | 37.2 | 0 | 0 | 0 | 112.2 | K436 L505 Y521 V564 | K436-D507 WeakPolarHBondContact CE-OD1 3.11Å; K436-D507 IonicContact NZ-OD1 3.09Å; L505-D507 HydrophobicContact CG-CB 4.46Å; D507-Y521 HydrophobicContact CB-CD2 4.41Å; D507-Y521 WeakPolarHBondContact OD2-CD2 3.39Å; D507-V564 HydrophobicContact CB-CG2 4.2Å; D507-V564 PolarHBondContact N-O 2.89Å; D507-V564 VanDerWaalsContact O-CG2 3.27Å; D507-V564 WeakPolarHBondContact O-CG2 3.24Å; D507-V564 PolarHBondContact O-N 3.34Å |
| 508 | M | 94.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.3 | 174.2 | -171.2 | -176.3 | -65.7 | 0 | 0 | 110.9 | K436 E437 D510 F536 I538 A561 K562 Y563 | K436-M508 VanDerWaalsContact CE-O 3.25Å; K436-M508 WeakPolarHBondContact CE-O 3.35Å; K436-M508 PolarHBondContact NZ-O 2.98Å; E437-M508 HydrophobicContact CG-CB 3.98Å; E437-M508 WeakPolarHBondContact OE2-CE 3.4Å; M508-D510 PolarHBondContact O-N 2.93Å; M508-F536 HydrophobicContact CE-CB 4.31Å; M508-F536 HydrophobicContact CE-CD1 3.32Å; M508-F536 HydrophobicContact CE-CE1 3.78Å; M508-F536 HydrophobicContact CE-CG 3.86Å; M508-F536 HydrophobicContact SD-CD1 4.36Å; M508-I538 HydrophobicContact CE-CD1 4.33Å; M508-I538 HydrophobicContact SD-CD1 3.3Å; M508-I538 WeakPolarHBondContact SD-CD1 3.22Å; M508-A561 HydrophobicContact CG-CB 3.73Å; M508-A561 HydrophobicContact SD-CB 3.8Å; M508-K562 CarbonylContact C-O 3.46Å; M508-K562 WeakPolarHBondContact CA-O 3.27Å; M508-Y563 HydrophobicContact CE-CD2 4.05Å |
| 509 | L | 93.2 | Very high | 91.4 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 112.9 | 173.9 | 171.6 | 66.7 | 0 | 0 | 0 | 109.8 | N520 A522 L523 A561 K562 | L509-N520 HydrophobicContact CD1-CB 3.85Å; L509-A522 HydrophobicContact CB-CB 4.3Å; L509-A522 HydrophobicContact CD1-CB 4.4Å; L509-A522 HydrophobicContact CD2-CB 4.26Å; L509-L523 HydrophobicContact CD1-CD1 4.41Å; L509-L523 HydrophobicContact CD1-CD2 4.26Å; L509-L523 HydrophobicContact CD1-CG 4.03Å; L509-A561 WeakPolarHBondContact O-CB 3.31Å; L509-K562 HydrophobicContact CB-CB 4.19Å; L509-K562 HydrophobicContact CD2-CB 4.47Å; L509-K562 PolarHBondContact N-O 2.63Å; L509-K562 PolarHBondContact O-N 3.23Å; L509-K562 VanDerWaalsContact O-N 3.14Å |
| 510 | D | 88.3 | Confident | 91.5 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | trans | -138.2 | 112.1 | 174.2 | -177.6 | 15.5 | 0 | 0 | 0 | 109.2 | M508 A512 S513 N520 K541 Y559 A561 | M508-D510 PolarHBondContact O-N 2.93Å; D510-A512 PolarHBondContact O-N 3.18Å; D510-A512 VanDerWaalsContact O-N 3.08Å; D510-S513 PolarHBondContact O-N 3.22Å; D510-N520 PolarHBondContact N-OD1 3.28Å; D510-N520 PolarHBondContact O-ND2 3.24Å; D510-N520 PolarHBondContact O-OD1 3.08Å; D510-K541 IonicContact OD1-NZ 3.9Å; D510-K541 PolarHBondContact OD1-NZ 3.18Å; D510-K541 IonicContact OD2-NZ 3.68Å; D510-K541 PolarHBondContact OD2-NZ 3.35Å; D510-Y559 PolarHBondContact OD1-OH 2.76Å; D510-A561 HydrophobicContact CB-CB 4.23Å | ||
| 511 | E | 78.1 | Confident | 91.5 | Very high | 171 Ų | 171 | 41.9 Ų | 41.9 | 80% | 0.799 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -31 | -171.1 | -67.2 | 179.5 | 178 | 0 | 0 | 113.2 | ||
| 512 | A | 77 | Confident | 91.5 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 69% | 0.694 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -0.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D510 | D510-A512 PolarHBondContact O-N 3.18Å; D510-A512 VanDerWaalsContact O-N 3.08Å |
| 513 | S | 80.7 | Confident | 91.4 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | trans | -117.2 | 10.9 | -173.2 | 81.3 | 0 | 0 | 0 | 0 | 114.6 | D510 T515 | D510-S513 PolarHBondContact O-N 3.22Å; S513-T515 PolarHBondContact O-N 3.29Å | ||
| 514 | A | 88.7 | Confident | 91.3 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | trans | -68.5 | 130.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | E518 | A514-E518 WeakPolarHBondContact CA-O 3.01Š| ||
| 515 | T | 92.2 | Very high | 91.1 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 27% | 0.27 | 28% | 0.284 | S | S | . | . | trans | -121.9 | 168.4 | 170.8 | 80.3 | 0 | 0 | 0 | 0 | 109.9 | E459 S513 L517 E518 P519 | E459-T515 HydrophobicContact CG-CG2 4.34Å; E459-T515 VanDerWaalsContact OE1-CB 3.31Å; E459-T515 WeakPolarHBondContact OE1-CB 3.44Å; E459-T515 PolarHBondContact OE1-OG1 2.69Å; S513-T515 PolarHBondContact O-N 3.29Å; T515-L517 PolarHBondContact O-N 2.92Å; T515-L517 PolarHBondContact OG1-N 3.38Å; T515-E518 PolarHBondContact N-O 2.87Å; T515-E518 VanDerWaalsContact N-O 3.14Å; T515-E518 CarbonylContact O-C 3.53Å; T515-E518 PolarHBondContact O-N 3.31Å; T515-E518 VanDerWaalsContact O-N 3.16Å; T515-E518 PolarHBondContact OG1-N 3.12Å; T515-P519 VanDerWaalsContact O-N 3.11Å | ||
| 516 | P | 90.3 | Very high | 90.9 | Very high | 131 Ų | 131 | 53.9 Ų | 53.9 | 85% | 0.851 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -57.8 | -28.5 | 175 | -26.4 | 36.2 | 0 | 0 | 0 | 114.1 | ||
| 517 | L | 91.4 | Very high | 90.8 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -90.9 | -25.8 | 176.7 | -65.9 | 175.3 | 0 | 0 | 0 | 112.6 | R457 T515 P519 | R457-L517 HydrophobicContact CG-CD2 4.32Å; T515-L517 PolarHBondContact O-N 2.92Å; T515-L517 PolarHBondContact OG1-N 3.38Å; L517-P519 WeakPolarHBondContact O-CD 3.49Å |
| 518 | E | 93.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 56 Ų | 56 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -121.5 | 63 | 178.9 | -61.9 | -179.2 | 177.9 | 0 | 0 | 111.1 | K436 S458 E459 A514 T515 | K436-E518 HydrophobicContact CB-CG 4.17Å; K436-E518 WeakPolarHBondContact CB-OE1 3.35Å; K436-E518 HydrophobicContact CD-CB 4.23Å; K436-E518 HydrophobicContact CD-CG 4.33Å; K436-E518 WeakPolarHBondContact CD-OE2 3.31Å; S458-E518 VanDerWaalsContact CB-OE1 3.32Å; S458-E518 WeakPolarHBondContact CB-OE1 2.97Å; E459-E518 WeakPolarHBondContact CB-OE1 3.41Å; E459-E518 HydrophobicContact CG-CG 4.14Å; E459-E518 PolarHBondContact N-OE1 3.29Å; A514-E518 WeakPolarHBondContact CA-O 3.01Å; T515-E518 PolarHBondContact N-O 2.87Å; T515-E518 VanDerWaalsContact N-O 3.14Å; T515-E518 CarbonylContact O-C 3.53Å; T515-E518 PolarHBondContact O-N 3.31Å; T515-E518 VanDerWaalsContact O-N 3.16Å; T515-E518 PolarHBondContact OG1-N 3.12Å |
| 519 | P | 93.5 | Very high | 90.8 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | trans | -69.2 | 160 | 178.4 | 32.2 | -37.4 | 0 | 0 | 0 | 110.7 | T515 L517 Y521 M524 | T515-P519 VanDerWaalsContact O-N 3.11Å; L517-P519 WeakPolarHBondContact O-CD 3.49Å; P519-Y521 VanDerWaalsContact C-N 3.33Å; P519-Y521 HydrophobicContact CG-CD1 4.18Å; P519-Y521 HydrophobicContact CG-CD2 4.39Å; P519-Y521 HydrophobicContact CG-CE1 3.69Å; P519-Y521 HydrophobicContact CG-CE2 3.93Å; P519-Y521 WeakPolarHBondContact O-CD2 3.33Å; P519-Y521 PolarHBondContact O-N 2.83Å; P519-M524 HydrophobicContact CB-CE 3.66Å; P519-M524 HydrophobicContact CG-CE 3.84Å | ||
| 520 | N | 93.1 | Very high | 91 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.08 | 36% | 0.358 | C | S | . | . | trans | -75.5 | 85.3 | 172.9 | -78 | -35.2 | 0 | 0 | 0 | 110.1 | L509 D510 A522 L523 | L509-N520 HydrophobicContact CD1-CB 3.85Å; D510-N520 PolarHBondContact N-OD1 3.28Å; D510-N520 PolarHBondContact O-ND2 3.24Å; D510-N520 PolarHBondContact O-OD1 3.08Å; N520-A522 PolarHBondContact O-N 3.09Å; N520-L523 HydrophobicContact CB-CB 4.47Å; N520-L523 HydrophobicContact CB-CD1 3.72Å; N520-L523 HydrophobicContact CB-CG 3.94Å; N520-L523 WeakPolarHBondContact O-CB 3.3Å; N520-L523 PolarHBondContact O-N 2.84Å | ||
| 521 | Y | 93.9 | Very high | 91.4 | Very high | 13 Ų | 13 | 64 Ų | 64 | 5% | 0.051 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -58.1 | -31.9 | -175.8 | -66.6 | -79 | 0 | 0 | 0 | 113.6 | M499 L505 D507 P519 L523 M524 W528 | M499-Y521 HydrophobicContact CE-CD1 4.48Å; M499-Y521 HydrophobicContact CE-CE1 3.53Å; M499-Y521 HydrophobicContact SD-CD1 4.38Å; M499-Y521 HydrophobicContact SD-CE1 3.92Å; L505-Y521 HydrophobicContact CD2-CD1 3.61Å; L505-Y521 HydrophobicContact CD2-CD2 3.75Å; L505-Y521 HydrophobicContact CD2-CE1 4.16Å; L505-Y521 HydrophobicContact CD2-CE2 4.3Å; L505-Y521 HydrophobicContact CD2-CG 3.37Å; D507-Y521 HydrophobicContact CB-CD2 4.41Å; D507-Y521 WeakPolarHBondContact OD2-CD2 3.39Å; P519-Y521 VanDerWaalsContact C-N 3.33Å; P519-Y521 HydrophobicContact CG-CD1 4.18Å; P519-Y521 HydrophobicContact CG-CD2 4.39Å; P519-Y521 HydrophobicContact CG-CE1 3.69Å; P519-Y521 HydrophobicContact CG-CE2 3.93Å; P519-Y521 WeakPolarHBondContact O-CD2 3.33Å; P519-Y521 PolarHBondContact O-N 2.83Å; Y521-L523 PolarHBondContact O-N 2.87Å; Y521-M524 HydrophobicContact CD1-SD 4.16Å; Y521-M524 WeakPolarHBondContact O-CB 3.47Å; Y521-M524 PolarHBondContact O-N 2.9Å; Y521-M524 VanDerWaalsContact O-N 3.08Å; Y521-W528 AromaticContact CD1-NE1 3.94Å |
| 522 | A | 93.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -63.9 | -19.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L509 N520 I530 V564 L566 | L509-A522 HydrophobicContact CB-CB 4.3Å; L509-A522 HydrophobicContact CD1-CB 4.4Å; L509-A522 HydrophobicContact CD2-CB 4.26Å; N520-A522 PolarHBondContact O-N 3.09Å; A522-I530 HydrophobicContact CB-CD1 4.4Å; A522-V564 HydrophobicContact CB-CG2 4.29Å; A522-L566 HydrophobicContact CB-CD1 4.45Å; A522-L566 HydrophobicContact CB-CD2 4.2Å |
| 523 | L | 93.4 | Very high | 93.3 | Very high | 115 Ų | 115 | 58.1 Ų | 58.1 | 60% | 0.602 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -85.1 | -13.1 | 176.1 | -60.1 | 179.8 | 0 | 0 | 0 | 112.8 | L509 N520 Y521 T525 | L509-L523 HydrophobicContact CD1-CD1 4.41Å; L509-L523 HydrophobicContact CD1-CD2 4.26Å; L509-L523 HydrophobicContact CD1-CG 4.03Å; N520-L523 HydrophobicContact CB-CB 4.47Å; N520-L523 HydrophobicContact CB-CD1 3.72Å; N520-L523 HydrophobicContact CB-CG 3.94Å; N520-L523 WeakPolarHBondContact O-CB 3.3Å; N520-L523 PolarHBondContact O-N 2.84Å; Y521-L523 PolarHBondContact O-N 2.87Å; L523-T525 PolarHBondContact O-N 3.19Å |
| 524 | M | 93.6 | Very high | 94 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | trans | -84 | 68.4 | 176.7 | -59.3 | 174.6 | -176.9 | 0 | 0 | 109.9 | P519 Y521 D526 T527 W528 | P519-M524 HydrophobicContact CB-CE 3.66Å; P519-M524 HydrophobicContact CG-CE 3.84Å; Y521-M524 HydrophobicContact CD1-SD 4.16Å; Y521-M524 WeakPolarHBondContact O-CB 3.47Å; Y521-M524 PolarHBondContact O-N 2.9Å; Y521-M524 VanDerWaalsContact O-N 3.08Å; M524-D526 VanDerWaalsContact C-OD1 3.32Å; M524-D526 PolarHBondContact O-N 2.61Å; M524-T527 PolarHBondContact O-N 3.33Å; M524-W528 PolarHBondContact O-N 3.38Å | ||
| 525 | T | 92.2 | Very high | 94.3 | Very high | 111 Ų | 111 | 56.7 Ų | 56.7 | 68% | 0.681 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.2 | -172.7 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | L523 L569 | L523-T525 PolarHBondContact O-N 3.19Å; T525-L569 WeakPolarHBondContact O-CD1 3.1Å |
| 526 | D | 94 | Very high | 94.4 | Very high | 126 Ų | 126 | 54.7 Ų | 54.7 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -25.3 | 171.7 | 63.5 | -33.1 | 0 | 0 | 0 | 112.5 | M524 | M524-D526 VanDerWaalsContact C-OD1 3.32Å; M524-D526 PolarHBondContact O-N 2.61Å |
| 527 | T | 94.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -35.7 | -177.1 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | M524 L569 | M524-T527 PolarHBondContact O-N 3.33Å; T527-L569 PolarHBondContact O-N 3.31Å |
| 528 | W | 96.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.1 | -169.3 | -63.4 | 107.3 | 0 | 0 | 0 | 112.4 | M499 C502 L505 Y521 M524 L566 S567 R568 | M499-W528 HydrophobicContact CG-CZ2 4.1Å; C502-W528 HydrophobicContact CB-CH2 3.87Å; L505-W528 HydrophobicContact CB-CE3 4.19Å; L505-W528 HydrophobicContact CB-CH2 3.76Å; L505-W528 HydrophobicContact CB-CZ2 4.19Å; L505-W528 HydrophobicContact CB-CZ3 3.75Å; L505-W528 HydrophobicContact CD2-CD2 4.42Å; L505-W528 HydrophobicContact CD2-CH2 4.26Å; L505-W528 HydrophobicContact CD2-CZ2 3.82Å; Y521-W528 AromaticContact CD1-NE1 3.94Å; M524-W528 PolarHBondContact O-N 3.38Å; W528-L566 HydrophobicContact CB-CB 4.17Å; W528-L566 HydrophobicContact CB-CD1 4.06Å; W528-L566 HydrophobicContact CD2-CB 4.22Å; W528-L566 HydrophobicContact CD2-CD1 4.4Å; W528-L566 HydrophobicContact CE3-CB 3.78Å; W528-L566 HydrophobicContact CG-CB 4.38Å; W528-L566 HydrophobicContact CG-CD1 4.07Å; W528-S567 WeakPolarHBondContact CA-O 3.39Å; W528-R568 HydrophobicContact CE3-CB 4.05Å; W528-R568 HydrophobicContact CH2-CB 4.21Å; W528-R568 HydrophobicContact CH2-CG 4.42Å; W528-R568 HydrophobicContact CZ3-CB 3.65Å; W528-R568 HydrophobicContact CZ3-CG 4.23Å |
| 529 | K | 96.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.1 | 169.4 | 176.6 | 179.9 | 170.8 | -124.5 | 0 | 109.6 | E531 L566 S567 L569 | K529-E531 WeakPolarHBondContact CD-OE1 3.39Å; K529-E531 WeakPolarHBondContact CE-OE1 3.39Å; K529-E531 VanDerWaalsContact NZ-CD 3.27Å; K529-E531 IonicContact NZ-OE1 2.63Å; K529-E531 PolarHBondContact NZ-OE1 2.02Å; K529-E531 IonicContact NZ-OE2 2.68Å; K529-E531 PolarHBondContact NZ-OE2 3.15Å; K529-E531 PolarHBondContact O-N 3.17Å; K529-L566 CarbonylContact O-C 3.53Å; K529-L566 VanDerWaalsContact O-CA 3.25Å; K529-L566 WeakPolarHBondContact O-CA 3.4Å; K529-S567 PolarHBondContact N-O 2.71Å; K529-S567 PolarHBondContact O-N 3.1Å; K529-L569 HydrophobicContact CB-CD2 3.84Å; K529-L569 HydrophobicContact CB-CG 4.25Å |
| 530 | I | 96.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 41% | 0.41 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.3 | 174.5 | -59.8 | 167.5 | 0 | 0 | 0 | 108.9 | A522 I533 L566 | A522-I530 HydrophobicContact CB-CD1 4.4Å; I530-I533 HydrophobicContact CG2-CB 4.3Å; I530-L566 HydrophobicContact CB-CD2 4.21Å; I530-L566 HydrophobicContact CG1-CD2 3.58Å |
| 531 | E | 96.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -32.9 | 177.2 | -62 | -65.3 | 176.2 | 0 | 0 | 112.1 | Y419 M423 K529 L565 S567 | Y419-E531 HydrophobicContact CE1-CB 4.14Å; Y419-E531 WeakPolarHBondContact CE1-O 3.45Å; M423-E531 HydrophobicContact CE-CB 4.03Å; M423-E531 HydrophobicContact CE-CG 3.75Å; M423-E531 HydrophobicContact SD-CB 3.9Å; M423-E531 HydrophobicContact SD-CG 4.26Å; K529-E531 WeakPolarHBondContact CD-OE1 3.39Å; K529-E531 WeakPolarHBondContact CE-OE1 3.39Å; K529-E531 VanDerWaalsContact NZ-CD 3.27Å; K529-E531 IonicContact NZ-OE1 2.63Å; K529-E531 PolarHBondContact NZ-OE1 2.02Å; K529-E531 IonicContact NZ-OE2 2.68Å; K529-E531 PolarHBondContact NZ-OE2 3.15Å; K529-E531 PolarHBondContact O-N 3.17Å; E531-L565 HydrophobicContact CB-CD2 4.35Å; E531-L565 HydrophobicContact CB-CG 4.43Å; E531-L565 PolarHBondContact N-O 3.15Å; E531-S567 WeakPolarHBondContact CG-OG 3.33Å; E531-S567 WeakPolarHBondContact OE1-CB 3.45Å; E531-S567 PolarHBondContact OE1-OG 2.81Å |
| 532 | F | 97.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 18% | 0.18 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145.6 | 175.8 | 175.6 | -88.2 | 0 | 0 | 0 | 110.5 | H415 A416 Y419 V564 L565 | H415-F532 HydrophobicContact CB-CE1 4.25Å; H415-F532 HydrophobicContact CB-CE2 4.08Å; H415-F532 HydrophobicContact CB-CZ 3.51Å; A416-F532 HydrophobicContact CB-CD1 3.78Å; A416-F532 HydrophobicContact CB-CE1 3.91Å; Y419-F532 HydrophobicContact CD1-CB 3.7Å; Y419-F532 HydrophobicContact CD1-CD2 4.32Å; Y419-F532 HydrophobicContact CD1-CG 4.39Å; Y419-F532 HydrophobicContact CE1-CB 4.07Å; Y419-F532 HydrophobicContact CG-CB 4.39Å; Y419-F532 HydrophobicContact CG-CD2 4.2Å; F532-V564 WeakPolarHBondContact O-CA 3.42Å; F532-L565 HydrophobicContact CB-CB 3.9Å; F532-L565 HydrophobicContact CB-CD2 4.42Å; F532-L565 PolarHBondContact N-O 2.83Å; F532-L565 PolarHBondContact O-N 2.95Å |
| 533 | I | 97 | Very high | 92.7 | Very high | 89 Ų | 89 | 63.6 Ų | 63.6 | 46% | 0.456 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 133 | 176.3 | -172.2 | 165.9 | 0 | 0 | 0 | 109.7 | I530 K562 Y563 V564 | I530-I533 HydrophobicContact CG2-CB 4.3Å; I533-K562 HydrophobicContact CD1-CB 3.89Å; I533-K562 HydrophobicContact CD1-CD 4.01Å; I533-K562 HydrophobicContact CD1-CG 3.96Å; I533-K562 HydrophobicContact CG1-CB 3.97Å; I533-K562 HydrophobicContact CG1-CD 4.11Å; I533-K562 HydrophobicContact CG1-CG 4.34Å; I533-Y563 WeakPolarHBondContact CA-O 3.29Å; I533-V564 HydrophobicContact CB-CG1 4.4Å; I533-V564 HydrophobicContact CD1-CG1 4.22Å; I533-V564 HydrophobicContact CG1-CG1 4.01Å |
| 534 | S | 96.3 | Very high | 92.2 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 158.1 | 172.1 | -171 | 0 | 0 | 0 | 0 | 111 | K562 Y563 | S534-K562 CarbonylContact O-C 3.58Å; S534-K562 WeakPolarHBondContact O-CA 3.25Å; S534-Y563 PolarHBondContact N-O 2.92Å; S534-Y563 PolarHBondContact O-N 3Å |
| 535 | D | 94.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.171 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 141.5 | 175.7 | -73.7 | -13.6 | 0 | 0 | 0 | 110.5 | R555 Y560 K562 | D535-R555 IonicContact OD2-CZ 2.95Å; D535-R555 IonicContact OD2-NE 3.42Å; D535-R555 IonicContact OD2-NH2 2.76Å; D535-R555 PolarHBondContact OD2-NH2 3.49Å; D535-Y560 HydrophobicContact CB-CD1 3.96Å; D535-Y560 HydrophobicContact CB-CG 4.41Å; D535-K562 WeakPolarHBondContact OD1-CD 3.32Å; D535-K562 WeakPolarHBondContact OD1-CE 3.35Å; D535-K562 IonicContact OD1-NZ 2.68Å; D535-K562 PolarHBondContact OD1-NZ 3.38Å |
| 536 | F | 94.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128.5 | 175.6 | -165.4 | -84.9 | 0 | 0 | 0 | 111.1 | F410 A412 P413 M508 I538 Y560 A561 Y563 | F410-F536 HydrophobicContact CB-CE2 4.13Å; F410-F536 HydrophobicContact CB-CZ 4.29Å; F410-F536 AromaticContact CD1-CE1 3.77Å; F410-F536 HydrophobicContact CD1-CE1 3.77Å; F410-F536 AromaticContact CD1-CE2 3.97Å; F410-F536 HydrophobicContact CD1-CE2 3.97Å; F410-F536 AromaticContact CD1-CZ 3.45Å; F410-F536 HydrophobicContact CD1-CZ 3.45Å; F410-F536 VanDerWaalsContact CD1-CZ 3.45Å; F410-F536 HydrophobicContact CE1-CE1 4.17Å; F410-F536 HydrophobicContact CE1-CZ 4.26Å; F410-F536 HydrophobicContact CG-CZ 4.34Å; A412-F536 HydrophobicContact CB-CD2 3.88Å; P413-F536 HydrophobicContact CG-CE2 4.11Å; M508-F536 HydrophobicContact CE-CB 4.31Å; M508-F536 HydrophobicContact CE-CD1 3.32Å; M508-F536 HydrophobicContact CE-CE1 3.78Å; M508-F536 HydrophobicContact CE-CG 3.86Å; M508-F536 HydrophobicContact SD-CD1 4.36Å; F536-I538 PolarHBondContact O-N 3.3Å; F536-Y560 CarbonylContact O-C 3.55Å; F536-Y560 VanDerWaalsContact O-CA 3.31Å; F536-Y560 WeakPolarHBondContact O-CA 3.15Å; F536-A561 PolarHBondContact N-O 2.92Å; F536-A561 PolarHBondContact O-N 3.2Å; F536-Y563 HydrophobicContact CD2-CD2 4.43Å |
| 537 | L | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.2 | -173 | -177.5 | 129.8 | 0 | 0 | 0 | 112.5 | S409 F410 H539 R547 C558 Y560 | S409-L537 PolarHBondContact O-N 3.48Å; S409-L537 VanDerWaalsContact O-N 3.13Å; F410-L537 HydrophobicContact CE1-CB 3.97Å; F410-L537 HydrophobicContact CE1-CD2 3.96Å; F410-L537 HydrophobicContact CZ-CB 4.3Å; F410-L537 HydrophobicContact CZ-CD2 3.64Å; L537-H539 HydrophobicContact CD2-CB 4.34Å; L537-H539 PolarHBondContact O-N 3.23Å; L537-R547 HydrophobicContact CD2-CB 4.06Å; L537-C558 HydrophobicContact CD1-CB 3.71Å; L537-Y560 HydrophobicContact CB-CD1 4.02Å; L537-Y560 HydrophobicContact CB-CE1 3.74Å; L537-Y560 HydrophobicContact CD1-CE1 3.99Å; L537-Y560 HydrophobicContact CD1-CE2 4.16Å; L537-Y560 HydrophobicContact CG-CE1 4.41Å |
| 538 | I | 91.2 | Very high | 90 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | trans | -92.7 | 103.5 | 172.4 | -53.2 | -56 | 0 | 0 | 0 | 109.7 | M508 F536 F540 K541 S542 Y559 A561 | M508-I538 HydrophobicContact CE-CD1 4.33Å; M508-I538 HydrophobicContact SD-CD1 3.3Å; M508-I538 WeakPolarHBondContact SD-CD1 3.22Å; F536-I538 PolarHBondContact O-N 3.3Å; I538-F540 HydrophobicContact CG2-CD1 3.52Å; I538-F540 HydrophobicContact CG2-CD2 4.3Å; I538-F540 HydrophobicContact CG2-CE1 3.19Å; I538-F540 HydrophobicContact CG2-CE2 4.04Å; I538-F540 HydrophobicContact CG2-CG 4.06Å; I538-F540 HydrophobicContact CG2-CZ 3.47Å; I538-F540 VanDerWaalsContact CG2-CZ 3.47Å; I538-F540 PolarHBondContact O-N 3.49Å; I538-K541 HydrophobicContact CB-CB 4.38Å; I538-K541 HydrophobicContact CG2-CB 4.05Å; I538-K541 HydrophobicContact CG2-CD 4.05Å; I538-K541 HydrophobicContact CG2-CG 3.91Å; I538-K541 PolarHBondContact O-N 3.15Å; I538-S542 WeakPolarHBondContact O-CB 3.46Å; I538-S542 PolarHBondContact O-N 3.34Å; I538-S542 PolarHBondContact O-OG 2.89Å; I538-Y559 HydrophobicContact CB-CD1 3.77Å; I538-Y559 HydrophobicContact CB-CE1 4.42Å; I538-Y559 HydrophobicContact CG1-CD1 3.65Å; I538-Y559 HydrophobicContact CG1-CE1 3.91Å; I538-Y559 PolarHBondContact N-O 3.09Å; I538-A561 HydrophobicContact CD1-CB 3.54Å; I538-A561 HydrophobicContact CG1-CB 3.61Å | ||
| 539 | H | 85.5 | Confident | 89.4 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38 | -172.7 | 64.7 | -84.3 | 0 | 0 | 0 | 113.5 | L537 S542 R547 | L537-H539 HydrophobicContact CD2-CB 4.34Å; L537-H539 PolarHBondContact O-N 3.23Å; H539-S542 PolarHBondContact O-N 2.94Å; H539-R547 VanDerWaalsContact O-CD 3.23Å; H539-R547 WeakPolarHBondContact O-CD 2.94Å; H539-R547 PolarHBondContact O-NH1 3.01Å |
| 540 | F | 85.3 | Confident | 88.6 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 58% | 0.575 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -23.6 | -175.7 | 64.8 | -93.4 | 0 | 0 | 0 | 113.9 | I538 | I538-F540 HydrophobicContact CG2-CD1 3.52Å; I538-F540 HydrophobicContact CG2-CD2 4.3Å; I538-F540 HydrophobicContact CG2-CE1 3.19Å; I538-F540 HydrophobicContact CG2-CE2 4.04Å; I538-F540 HydrophobicContact CG2-CG 4.06Å; I538-F540 HydrophobicContact CG2-CZ 3.47Å; I538-F540 VanDerWaalsContact CG2-CZ 3.47Å; I538-F540 PolarHBondContact O-N 3.49Å |
| 541 | K | 86.5 | Confident | 87.5 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.1 | 172.6 | -66.2 | -178.4 | 176.7 | 175.4 | 0 | 113.1 | D510 I538 Y559 | D510-K541 IonicContact OD1-NZ 3.9Å; D510-K541 PolarHBondContact OD1-NZ 3.18Å; D510-K541 IonicContact OD2-NZ 3.68Å; D510-K541 PolarHBondContact OD2-NZ 3.35Å; I538-K541 HydrophobicContact CB-CB 4.38Å; I538-K541 HydrophobicContact CG2-CB 4.05Å; I538-K541 HydrophobicContact CG2-CD 4.05Å; I538-K541 HydrophobicContact CG2-CG 3.91Å; I538-K541 PolarHBondContact O-N 3.15Å; K541-Y559 HydrophobicContact CB-CD1 4.08Å; K541-Y559 HydrophobicContact CB-CG 3.93Å; K541-Y559 HydrophobicContact CD-CD1 3.66Å; K541-Y559 HydrophobicContact CD-CD2 4.42Å; K541-Y559 HydrophobicContact CD-CE1 3.62Å; K541-Y559 HydrophobicContact CD-CE2 4.41Å; K541-Y559 HydrophobicContact CD-CG 4.04Å; K541-Y559 HydrophobicContact CG-CD1 4.48Å |
| 542 | S | 88.2 | Confident | 86.2 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -97.5 | 146.2 | -175 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | I538 H539 Y559 | I538-S542 WeakPolarHBondContact O-CB 3.46Å; I538-S542 PolarHBondContact O-N 3.34Å; I538-S542 PolarHBondContact O-OG 2.89Å; H539-S542 PolarHBondContact O-N 2.94Å; S542-Y559 PolarHBondContact OG-N 3.47Å; S542-Y559 PolarHBondContact OG-O 2.79Å |
| 543 | K | 85.2 | Confident | 85 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | trans | -65 | 146.4 | 176.2 | -68.3 | -179 | 179.7 | 176.8 | 0 | 111.6 | L545 C546 R547 | K543-L545 PolarHBondContact O-N 3.47Å; K543-C546 PolarHBondContact O-N 2.85Å; K543-C546 PolarHBondContact O-SG 3.34Å; K543-R547 WeakPolarHBondContact O-CG 3.22Å; K543-R547 PolarHBondContact O-N 2.88Å | ||
| 544 | N | 83.4 | Confident | 83.8 | Confident | 109 Ų | 109 | 64 Ų | 64 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -52.3 | -49.4 | -175.1 | -75.3 | -25.8 | 0 | 0 | 0 | 114.3 | R547 S548 | N544-R547 WeakPolarHBondContact O-CG 3.23Å; N544-R547 PolarHBondContact OD1-NE 3.23Å; N544-R547 PolarHBondContact OD1-NH2 3.01Å; N544-S548 VanDerWaalsContact O-CB 3.3Å; N544-S548 WeakPolarHBondContact O-CB 3.35Å; N544-S548 PolarHBondContact O-N 2.78Å; N544-S548 PolarHBondContact O-OG 2.88Å |
| 545 | L | 79.4 | Confident | 82.8 | Confident | 138 Ų | 138 | 70 Ų | 70 | 72% | 0.723 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.3 | -42.8 | -177.3 | -71.5 | 173.4 | 0 | 0 | 0 | 112.2 | K543 R547 S548 F549 | K543-L545 PolarHBondContact O-N 3.47Å; L545-R547 PolarHBondContact O-N 3.39Å; L545-S548 PolarHBondContact O-N 3.12Å; L545-F549 PolarHBondContact O-N 2.77Å; L545-F549 VanDerWaalsContact O-N 3.1Å |
| 546 | C | 82.3 | Confident | 82.1 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | -178.1 | 83.8 | 0 | 0 | 0 | 0 | 111.5 | H405 K543 S548 Q557 C558 | H405-C546 PolarHBondContact NE2-O 2.88Å; K543-C546 PolarHBondContact O-N 2.85Å; K543-C546 PolarHBondContact O-SG 3.34Å; C546-S548 VanDerWaalsContact C-N 3.27Å; C546-S548 PolarHBondContact O-N 2.84Å; C546-Q557 HydrophobicContact CB-CB 3.84Å; C546-Q557 PolarHBondContact SG-O 2.97Å; C546-C558 HydrophobicContact CB-CB 4.32Å; C546-C558 WeakPolarHBondContact CB-SG 3.43Å; C546-C558 PolarHBondContact O-SG 2.94Å; C546-C558 WeakPolarHBondContact SG-CA 3.17Å; C546-C558 WeakPolarHBondContact SG-CB 3.44Å; C546-C558 CovalentContact SG-SG 2.07Å; C546-C558 PolarHBondContact SG-SG 3.47Å |
| 547 | R | 82.7 | Confident | 81.5 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.6 | -20.1 | -179.8 | 73.8 | -175.2 | -178.9 | 176 | 1.3 | 113.2 | R402 H405 L537 H539 K543 N544 L545 C558 | R402-R547 PolarHBondContact NH1-O 3.36Å; H405-R547 PolarHBondContact CE1-O 2.89Å; H405-R547 PolarHBondContact ND1-O 3.37Å; L537-R547 HydrophobicContact CD2-CB 4.06Å; H539-R547 VanDerWaalsContact O-CD 3.23Å; H539-R547 WeakPolarHBondContact O-CD 2.94Å; H539-R547 PolarHBondContact O-NH1 3.01Å; K543-R547 WeakPolarHBondContact O-CG 3.22Å; K543-R547 PolarHBondContact O-N 2.88Å; N544-R547 WeakPolarHBondContact O-CG 3.23Å; N544-R547 PolarHBondContact OD1-NE 3.23Å; N544-R547 PolarHBondContact OD1-NH2 3.01Å; L545-R547 PolarHBondContact O-N 3.39Å; R547-C558 PolarHBondContact N-SG 2.99Å |
| 548 | S | 83 | Confident | 81.3 | Confident | 19 Ų | 19 | 78.5 Ų | 78.5 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -87.5 | -39.7 | -178.8 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | L289 R402 N544 L545 C546 | L289-S548 WeakPolarHBondContact CD2-OG 3.49Å; R402-S548 WeakPolarHBondContact CD-O 3.24Å; R402-S548 PolarHBondContact NH1-O 3.4Å; N544-S548 VanDerWaalsContact O-CB 3.3Å; N544-S548 WeakPolarHBondContact O-CB 3.35Å; N544-S548 PolarHBondContact O-N 2.78Å; N544-S548 PolarHBondContact O-OG 2.88Å; L545-S548 PolarHBondContact O-N 3.12Å; C546-S548 VanDerWaalsContact C-N 3.27Å; C546-S548 PolarHBondContact O-N 2.84Å |
| 549 | F | 82.7 | Confident | 81.2 | Confident | 47 Ų | 47 | 82 Ų | 82 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -132.5 | 139.6 | -171.5 | -59.8 | -74.4 | 0 | 0 | 0 | 112.4 | L289 V398 R402 L545 T551 | L289-F549 HydrophobicContact CD2-CZ 4.3Å; V398-F549 HydrophobicContact CG1-CD1 3.91Å; V398-F549 HydrophobicContact CG1-CE1 3.34Å; V398-F549 HydrophobicContact CG1-CZ 3.96Å; R402-F549 HydrophobicContact CB-CD1 4.07Å; R402-F549 HydrophobicContact CB-CE1 4.19Å; L545-F549 PolarHBondContact O-N 2.77Å; L545-F549 VanDerWaalsContact O-N 3.1Å; F549-T551 PolarHBondContact O-N 3.15Å |
| 550 | Y | 80.8 | Confident | 81.5 | Confident | 103 Ų | 103 | 79.6 Ų | 79.6 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | trans | -69.2 | 121.1 | 170.9 | -175.1 | -93.8 | 0 | 0 | 0 | 109.7 | S401 F408 | S401-Y550 WeakPolarHBondContact O-CB 3.44Å; S401-Y550 PolarHBondContact O-N 3.16Å; S401-Y550 PolarHBondContact OG-N 3.39Å; S401-Y550 PolarHBondContact OG-O 3.05Å; F408-Y550 HydrophobicContact CD2-CD2 4.16Å; F408-Y550 HydrophobicContact CD2-CE2 4.03Å | ||
| 551 | T | 73.4 | Confident | 81.9 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | trans | -130.4 | 153.1 | 167.8 | 62.4 | 0 | 0 | 0 | 0 | 107.7 | F549 F553 S554 | F549-T551 PolarHBondContact O-N 3.15Å; T551-F553 PolarHBondContact O-N 3.27Å; T551-S554 PolarHBondContact N-OG 2.95Å; T551-S554 WeakPolarHBondContact O-CB 3.34Å; T551-S554 PolarHBondContact O-N 3.17Å; T551-S554 PolarHBondContact O-OG 3.2Å; T551-S554 WeakPolarHBondContact OG1-CA 3.31Å; T551-S554 WeakPolarHBondContact OG1-CB 3.24Å; T551-S554 PolarHBondContact OG1-N 2.83Å | ||
| 552 | P | 68.6 | Low | 82.3 | Confident | 112 Ų | 112 | 74 Ų | 74 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -24.4 | 175.6 | -27.9 | 35.5 | 0 | 0 | 0 | 113.6 | ||
| 553 | F | 72.2 | Confident | 82.8 | Confident | 152 Ų | 152 | 73.6 Ų | 73.6 | 67% | 0.667 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -1.4 | 178.2 | -50.2 | -73.3 | 0 | 0 | 0 | 114 | T551 R555 A556 | T551-F553 PolarHBondContact O-N 3.27Å; F553-R555 VanDerWaalsContact C-N 3.27Å; F553-R555 PolarHBondContact O-N 3.21Å; F553-A556 PolarHBondContact O-N 3.3Å |
| 554 | S | 71.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -37.7 | -174.5 | 61 | 0 | 0 | 0 | 0 | 111.3 | T551 A556 Q557 C558 | T551-S554 PolarHBondContact N-OG 2.95Å; T551-S554 WeakPolarHBondContact O-CB 3.34Å; T551-S554 PolarHBondContact O-N 3.17Å; T551-S554 PolarHBondContact O-OG 3.2Å; T551-S554 WeakPolarHBondContact OG1-CA 3.31Å; T551-S554 WeakPolarHBondContact OG1-CB 3.24Å; T551-S554 PolarHBondContact OG1-N 2.83Å; S554-A556 VanDerWaalsContact C-N 3.3Å; S554-A556 PolarHBondContact O-N 3.03Å; S554-Q557 PolarHBondContact O-N 2.71Å; S554-Q557 VanDerWaalsContact O-N 3.08Å; S554-C558 WeakPolarHBondContact O-CB 3.35Å; S554-C558 PolarHBondContact O-N 3.43Å; S554-C558 VanDerWaalsContact O-N 3.1Å |
| 555 | R | 74.9 | Confident | 84 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.1 | -38.2 | -179 | -162.3 | 174.9 | -172.1 | 172.5 | 1.5 | 112.7 | D535 F553 Q557 Y560 | D535-R555 IonicContact OD2-CZ 2.95Å; D535-R555 IonicContact OD2-NE 3.42Å; D535-R555 IonicContact OD2-NH2 2.76Å; D535-R555 PolarHBondContact OD2-NH2 3.49Å; F553-R555 VanDerWaalsContact C-N 3.27Å; F553-R555 PolarHBondContact O-N 3.21Å; R555-Q557 VanDerWaalsContact C-N 3.29Å; R555-Q557 PolarHBondContact O-N 3.09Å; R555-Y560 HydrophobicContact CG-CD2 4.47Å; R555-Y560 HydrophobicContact CG-CE2 3.92Å |
| 556 | A | 79.1 | Confident | 84.9 | Confident | 97 Ų | 97 | 55 Ų | 55 | 80% | 0.802 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -74 | -18.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F553 S554 | F553-A556 PolarHBondContact O-N 3.3Å; S554-A556 VanDerWaalsContact C-N 3.3Å; S554-A556 PolarHBondContact O-N 3.03Å |
| 557 | Q | 82.8 | Confident | 85.5 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -104.3 | -6.4 | -177.8 | -62.9 | -173.3 | 6.1 | 0 | 0 | 113.6 | C546 S554 R555 | C546-Q557 HydrophobicContact CB-CB 3.84Å; C546-Q557 PolarHBondContact SG-O 2.97Å; S554-Q557 PolarHBondContact O-N 2.71Å; S554-Q557 VanDerWaalsContact O-N 3.08Å; R555-Q557 VanDerWaalsContact C-N 3.29Å; R555-Q557 PolarHBondContact O-N 3.09Å |
| 558 | C | 87.7 | Confident | 86 | Confident | 14 Ų | 14 | 57 Ų | 57 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -111.8 | 147 | -176.7 | -87.8 | 0 | 0 | 0 | 0 | 109.8 | L537 C546 R547 S554 Y560 | L537-C558 HydrophobicContact CD1-CB 3.71Å; C546-C558 HydrophobicContact CB-CB 4.32Å; C546-C558 WeakPolarHBondContact CB-SG 3.43Å; C546-C558 PolarHBondContact O-SG 2.94Å; C546-C558 WeakPolarHBondContact SG-CA 3.17Å; C546-C558 WeakPolarHBondContact SG-CB 3.44Å; C546-C558 CovalentContact SG-SG 2.07Å; C546-C558 PolarHBondContact SG-SG 3.47Å; R547-C558 PolarHBondContact N-SG 2.99Å; S554-C558 WeakPolarHBondContact O-CB 3.35Å; S554-C558 PolarHBondContact O-N 3.43Å; S554-C558 VanDerWaalsContact O-N 3.1Å; C558-Y560 HydrophobicContact CB-CD2 4.4Å; C558-Y560 HydrophobicContact CB-CE2 3.71Å |
| 559 | Y | 90 | Very high | 86.4 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | trans | -94 | 127.1 | 177.9 | -176 | -86.2 | 0 | 0 | 0 | 109.4 | D510 I538 K541 S542 | D510-Y559 PolarHBondContact OD1-OH 2.76Å; I538-Y559 HydrophobicContact CB-CD1 3.77Å; I538-Y559 HydrophobicContact CB-CE1 4.42Å; I538-Y559 HydrophobicContact CG1-CD1 3.65Å; I538-Y559 HydrophobicContact CG1-CE1 3.91Å; I538-Y559 PolarHBondContact N-O 3.09Å; K541-Y559 HydrophobicContact CB-CD1 4.08Å; K541-Y559 HydrophobicContact CB-CG 3.93Å; K541-Y559 HydrophobicContact CD-CD1 3.66Å; K541-Y559 HydrophobicContact CD-CD2 4.42Å; K541-Y559 HydrophobicContact CD-CE1 3.62Å; K541-Y559 HydrophobicContact CD-CE2 4.41Å; K541-Y559 HydrophobicContact CD-CG 4.04Å; K541-Y559 HydrophobicContact CG-CD1 4.48Å; S542-Y559 PolarHBondContact OG-N 3.47Å; S542-Y559 PolarHBondContact OG-O 2.79Å | ||
| 560 | Y | 91.8 | Very high | 86.1 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.7 | 176.8 | -68.9 | -97.7 | 0 | 0 | 0 | 109.1 | D535 F536 L537 R555 C558 | D535-Y560 HydrophobicContact CB-CD1 3.96Å; D535-Y560 HydrophobicContact CB-CG 4.41Å; F536-Y560 CarbonylContact O-C 3.55Å; F536-Y560 VanDerWaalsContact O-CA 3.31Å; F536-Y560 WeakPolarHBondContact O-CA 3.15Å; L537-Y560 HydrophobicContact CB-CD1 4.02Å; L537-Y560 HydrophobicContact CB-CE1 3.74Å; L537-Y560 HydrophobicContact CD1-CE1 3.99Å; L537-Y560 HydrophobicContact CD1-CE2 4.16Å; L537-Y560 HydrophobicContact CG-CE1 4.41Å; R555-Y560 HydrophobicContact CG-CD2 4.47Å; R555-Y560 HydrophobicContact CG-CE2 3.92Å; C558-Y560 HydrophobicContact CB-CD2 4.4Å; C558-Y560 HydrophobicContact CB-CE2 3.71Å |
| 561 | A | 93.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 173.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | M508 L509 D510 F536 I538 | M508-A561 HydrophobicContact CG-CB 3.73Å; M508-A561 HydrophobicContact SD-CB 3.8Å; L509-A561 WeakPolarHBondContact O-CB 3.31Å; D510-A561 HydrophobicContact CB-CB 4.23Å; F536-A561 PolarHBondContact N-O 2.92Å; F536-A561 PolarHBondContact O-N 3.2Å; I538-A561 HydrophobicContact CD1-CB 3.54Å; I538-A561 HydrophobicContact CG1-CB 3.61Å |
| 562 | K | 95.5 | Very high | 87.1 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.5 | 176.9 | -59.6 | -63 | -174.1 | 175.6 | 0 | 109.8 | M508 L509 I533 S534 D535 V564 | M508-K562 CarbonylContact C-O 3.46Å; M508-K562 WeakPolarHBondContact CA-O 3.27Å; L509-K562 HydrophobicContact CB-CB 4.19Å; L509-K562 HydrophobicContact CD2-CB 4.47Å; L509-K562 PolarHBondContact N-O 2.63Å; L509-K562 PolarHBondContact O-N 3.23Å; L509-K562 VanDerWaalsContact O-N 3.14Å; I533-K562 HydrophobicContact CD1-CB 3.89Å; I533-K562 HydrophobicContact CD1-CD 4.01Å; I533-K562 HydrophobicContact CD1-CG 3.96Å; I533-K562 HydrophobicContact CG1-CB 3.97Å; I533-K562 HydrophobicContact CG1-CD 4.11Å; I533-K562 HydrophobicContact CG1-CG 4.34Å; S534-K562 CarbonylContact O-C 3.58Å; S534-K562 WeakPolarHBondContact O-CA 3.25Å; D535-K562 WeakPolarHBondContact OD1-CD 3.32Å; D535-K562 WeakPolarHBondContact OD1-CE 3.35Å; D535-K562 IonicContact OD1-NZ 2.68Å; D535-K562 PolarHBondContact OD1-NZ 3.38Å; K562-V564 HydrophobicContact CB-CG1 4.32Å |
| 563 | Y | 97 | Very high | 88.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 124.4 | 169.4 | -160.5 | -95.8 | 0 | 0 | 0 | 108.6 | A412 P413 A416 E437 V506 M508 I533 S534 F536 | A412-Y563 HydrophobicContact CB-CD1 4.09Å; A412-Y563 HydrophobicContact CB-CG 4.03Å; P413-Y563 HydrophobicContact CB-CE1 4.31Å; P413-Y563 HydrophobicContact CG-CE1 4.3Å; P413-Y563 HydrophobicContact CG-CE2 4.28Å; A416-Y563 HydrophobicContact CB-CD1 3.9Å; A416-Y563 HydrophobicContact CB-CE1 3.73Å; E437-Y563 HydrophobicContact CB-CE2 4.19Å; E437-Y563 HydrophobicContact CG-CE2 3.92Å; V506-Y563 HydrophobicContact CG1-CD1 4.45Å; V506-Y563 HydrophobicContact CG1-CE1 3.45Å; V506-Y563 VanDerWaalsContact CG1-CE1 3.45Å; V506-Y563 HydrophobicContact CG1-CE2 4.39Å; V506-Y563 VanDerWaalsContact CG1-CZ 3.42Å; V506-Y563 WeakPolarHBondContact CG1-OH 3.38Å; M508-Y563 HydrophobicContact CE-CD2 4.05Å; I533-Y563 WeakPolarHBondContact CA-O 3.29Å; S534-Y563 PolarHBondContact N-O 2.92Å; S534-Y563 PolarHBondContact O-N 3Å; F536-Y563 HydrophobicContact CD2-CD2 4.43Å |
| 564 | V | 97.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.8 | -169 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | V506 D507 A522 F532 I533 K562 L566 | V506-V564 WeakPolarHBondContact CA-O 3.35Å; D507-V564 HydrophobicContact CB-CG2 4.2Å; D507-V564 PolarHBondContact N-O 2.89Å; D507-V564 VanDerWaalsContact O-CG2 3.27Å; D507-V564 WeakPolarHBondContact O-CG2 3.24Å; D507-V564 PolarHBondContact O-N 3.34Å; A522-V564 HydrophobicContact CB-CG2 4.29Å; F532-V564 WeakPolarHBondContact O-CA 3.42Å; I533-V564 HydrophobicContact CB-CG1 4.4Å; I533-V564 HydrophobicContact CD1-CG1 4.22Å; I533-V564 HydrophobicContact CG1-CG1 4.01Å; K562-V564 HydrophobicContact CB-CG1 4.32Å; V564-L566 HydrophobicContact CB-CD2 4.2Å; V564-L566 HydrophobicContact CG2-CD1 4.49Å; V564-L566 HydrophobicContact CG2-CD2 4.21Å; V564-L566 HydrophobicContact CG2-CG 4.23Å |
| 565 | L | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.6 | 161.9 | 174.7 | 66.2 | 0 | 0 | 0 | 108.2 | Y419 L420 M423 V506 E531 F532 | Y419-L565 HydrophobicContact CD1-CD2 4.02Å; L420-L565 HydrophobicContact CB-CD1 4.48Å; L420-L565 HydrophobicContact CB-CD2 3.85Å; L420-L565 HydrophobicContact CD1-CD1 3.9Å; L420-L565 HydrophobicContact CD1-CD2 4.01Å; L420-L565 HydrophobicContact CD2-CD1 4.39Å; L420-L565 HydrophobicContact CG-CD1 4.5Å; M423-L565 HydrophobicContact SD-CD2 4.41Å; V506-L565 HydrophobicContact CG2-CD1 3.59Å; E531-L565 HydrophobicContact CB-CD2 4.35Å; E531-L565 HydrophobicContact CB-CG 4.43Å; E531-L565 PolarHBondContact N-O 3.15Å; F532-L565 HydrophobicContact CB-CB 3.9Å; F532-L565 HydrophobicContact CB-CD2 4.42Å; F532-L565 PolarHBondContact N-O 2.83Å; F532-L565 PolarHBondContact O-N 2.95Å |
| 566 | L | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.6 | -179.2 | -52.3 | 177.2 | 0 | 0 | 0 | 110 | Y504 L505 A522 W528 K529 I530 V564 | Y504-L566 CarbonylContact C-O 3.08Å; Y504-L566 WeakPolarHBondContact CA-O 3.48Å; L505-L566 HydrophobicContact CB-CB 4.25Å; L505-L566 HydrophobicContact CD2-CD1 4.23Å; L505-L566 HydrophobicContact CG-CD1 4.47Å; L505-L566 PolarHBondContact N-O 2.93Å; L505-L566 WeakPolarHBondContact O-CB 3.38Å; L505-L566 PolarHBondContact O-N 2.9Å; A522-L566 HydrophobicContact CB-CD1 4.45Å; A522-L566 HydrophobicContact CB-CD2 4.2Å; W528-L566 HydrophobicContact CB-CB 4.17Å; W528-L566 HydrophobicContact CB-CD1 4.06Å; W528-L566 HydrophobicContact CD2-CB 4.22Å; W528-L566 HydrophobicContact CD2-CD1 4.4Å; W528-L566 HydrophobicContact CE3-CB 3.78Å; W528-L566 HydrophobicContact CG-CB 4.38Å; W528-L566 HydrophobicContact CG-CD1 4.07Å; K529-L566 CarbonylContact O-C 3.53Å; K529-L566 VanDerWaalsContact O-CA 3.25Å; K529-L566 WeakPolarHBondContact O-CA 3.4Å; I530-L566 HydrophobicContact CB-CD2 4.21Å; I530-L566 HydrophobicContact CG1-CD2 3.58Å; V564-L566 HydrophobicContact CB-CD2 4.2Å; V564-L566 HydrophobicContact CG2-CD1 4.49Å; V564-L566 HydrophobicContact CG2-CD2 4.21Å; V564-L566 HydrophobicContact CG2-CG 4.23Å |
| 567 | S | 95.7 | Very high | 92 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.9 | 165.3 | 67.1 | 0 | 0 | 0 | 0 | 109.3 | W528 K529 E531 | W528-S567 WeakPolarHBondContact CA-O 3.39Å; K529-S567 PolarHBondContact N-O 2.71Å; K529-S567 PolarHBondContact O-N 3.1Å; E531-S567 WeakPolarHBondContact CG-OG 3.33Å; E531-S567 WeakPolarHBondContact OE1-CB 3.45Å; E531-S567 PolarHBondContact OE1-OG 2.81Å |
| 568 | R | 94.2 | Very high | 92.7 | Very high | 105 Ų | 105 | 55.6 Ų | 55.6 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.6 | 179.1 | -165.4 | 170.5 | 176.7 | -168 | -3 | 110.9 | G500 C502 T503 W528 | G500-R568 VanDerWaalsContact CA-NH1 3.34Å; G500-R568 PolarHBondContact O-NH1 2.92Å; C502-R568 WeakPolarHBondContact O-CD 3.45Å; T503-R568 PolarHBondContact O-N 3.26Å; W528-R568 HydrophobicContact CE3-CB 4.05Å; W528-R568 HydrophobicContact CH2-CB 4.21Å; W528-R568 HydrophobicContact CH2-CG 4.42Å; W528-R568 HydrophobicContact CZ3-CB 3.65Å; W528-R568 HydrophobicContact CZ3-CG 4.23Å |
| 569 | L | 90.7 | Very high | 93.2 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | trans | -68.4 | 130 | 170.4 | -67.1 | 172.2 | 0 | 0 | 0 | 108.9 | T525 T527 K529 | T525-L569 WeakPolarHBondContact O-CD1 3.1Å; T527-L569 PolarHBondContact O-N 3.31Å; K529-L569 HydrophobicContact CB-CD2 3.84Å; K529-L569 HydrophobicContact CB-CG 4.25Å | ||
| 570 | R | 77.1 | Confident | 93.4 | Very high | 301 Ų | 301 | 57 Ų | 57 | 100% | 1.136 | 24% | 0.236 | S | C | * | . | trans | -85 | 0 | 178.9 | -77.4 | -171.9 | -178.7 | 174.8 | 1.8 | 111.7 |
Retrieved 570 of 570 residues in 345.4 ms
(Link to these results)