| 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 | 37.1 | Very low | 34.3 | Very low | 218 Ų | 218 | 156.6 Ų | 156.6 | 100% | 1.074 | 82% | 0.818 | S | S | * | * | 0 | 40.5 | 0 | -61.6 | -175.6 | -178.9 | 0 | 0 | 110.8 | |||||
| 2 | D | 32.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | 35.7 | 100 | 108.2 | -20.5 | -49 | 0 | 0 | 0 | 113.2 | |||||
| 3 | V | 38.1 | Very low | 35.2 | Very low | 134 Ų | 134 | 156.6 Ų | 156.6 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | 61.5 | 100 | 52.2 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 4 | F | 34.8 | Very low | 35.3 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -145.1 | 119.1 | 149.3 | -104.5 | -74.9 | 0 | 0 | 0 | 111 | ||||
| 5 | N | 35.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -99.2 | 138.3 | 160.2 | -103.7 | -24 | 0 | 0 | 0 | 107.2 | ||||
| 6 | F | 31.8 | Very low | 35.7 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -152.9 | 89.4 | 165.1 | -133.1 | -111.7 | 0 | 0 | 0 | 108.2 | ||||
| 7 | T | 34 | Very low | 36 | Very low | 93 Ų | 93 | 150.4 Ų | 150.4 | 57% | 0.571 | 81% | 0.809 | S | S | * | * | 90.2 | 124.3 | 86 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 8 | S | 31.1 | Very low | 36.4 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | trans | 33.2 | 108 | 148.1 | 59 | 0 | 0 | 0 | 0 | 119.2 | N10 | S8-N10 PolarHBondContact O-N 3.4Š| ||
| 9 | W | 29 | Very low | 36.4 | Very low | 263 Ų | 263 | 151.1 Ų | 151.1 | 100% | 0.996 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 111.5 | 146.1 | -82.9 | 47.3 | 0 | 0 | 0 | 108.5 | ||||
| 10 | N | 30.5 | Very low | 36.6 | Very low | 142 Ų | 142 | 152 Ų | 152 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -76.8 | 127.9 | 164.4 | -86.5 | -12.2 | 0 | 0 | 0 | 108.6 | S8 S12 | S8-N10 PolarHBondContact O-N 3.4Å; N10-S12 PolarHBondContact O-N 3.46Å | ||
| 11 | A | 43 | Very low | 36.9 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 123.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | S | 35 | Very low | 37.4 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -135.6 | 118.5 | 167.5 | 53.5 | 0 | 0 | 0 | 0 | 107.6 | N10 G14 | N10-S12 PolarHBondContact O-N 3.46Å; S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.12Å | ||
| 13 | E | 45.4 | Very low | 38.5 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 97% | 0.972 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 83.4 | -179.4 | -66.5 | 173.7 | 120.3 | 0 | 0 | 110.2 | N15 | E13-N15 PolarHBondContact O-N 2.99Š| ||
| 14 | G | 36.3 | Very low | 39.6 | Very low | 59 Ų | 59 | 150.9 Ų | 150.9 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 119.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | S12 E16 | S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.12Å; G14-E16 PolarHBondContact O-N 3.36Å | ||
| 15 | N | 40 | Very low | 41 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | trans | -75.8 | 78.5 | 174.6 | -148 | 13.6 | 0 | 0 | 0 | 108.3 | E13 T17 | E13-N15 PolarHBondContact O-N 2.99Å; N15-T17 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 3.32Å | ||
| 16 | E | 37.6 | Very low | 42.7 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | -66.1 | 92.6 | 174.9 | -69.9 | -167.7 | 157.2 | 0 | 0 | 108.9 | G14 E18 | G14-E16 PolarHBondContact O-N 3.36Å; E16-E18 PolarHBondContact O-N 3.31Å | ||
| 17 | T | 40.7 | Very low | 45.1 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -52.5 | 120.9 | 158.4 | 49.4 | 0 | 0 | 0 | 0 | 107.3 | N15 V19 | N15-T17 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 3.32Å; T17-V19 PolarHBondContact O-N 3.47Å | ||
| 18 | E | 42.1 | Very low | 47.7 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | trans | -53.7 | 102.3 | 175.4 | -72.8 | -172.7 | 120.5 | 0 | 0 | 109 | E16 M20 | E16-E18 PolarHBondContact O-N 3.31Å; E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 3.39Å | ||
| 19 | V | 37.6 | Very low | 50.4 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 101.2 | 165.5 | 177.2 | 0 | 0 | 0 | 0 | 104.3 | T17 E21 | T17-V19 PolarHBondContact O-N 3.47Å; V19-E21 VanDerWaalsContact C-N 3.27Å; V19-E21 PolarHBondContact O-N 3.16Å | ||
| 20 | M | 39.4 | Very low | 53.3 | Low | 170 Ų | 170 | 131.6 Ų | 131.6 | 84% | 0.837 | 71% | 0.712 | S | S | * | * | trans | -57 | 100.3 | 169.3 | -73.9 | -171.6 | 69.4 | 0 | 0 | 106.8 | E18 E22 | E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 3.39Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 2.97Å | ||
| 21 | E | 43.3 | Very low | 56.1 | Low | 127 Ų | 127 | 128.7 Ų | 128.7 | 59% | 0.593 | 69% | 0.694 | S | S | * | * | trans | -60.9 | 96.6 | 177.9 | -172.3 | -169.5 | -116.8 | 0 | 0 | 107 | V19 R23 | V19-E21 VanDerWaalsContact C-N 3.27Å; V19-E21 PolarHBondContact O-N 3.16Å; E21-R23 PolarHBondContact O-N 3.17Å; E21-R23 IonicContact OE2-CZ 2.76Å; E21-R23 VanDerWaalsContact OE2-CZ 3.22Å; E21-R23 IonicContact OE2-NE 2.87Å; E21-R23 PolarHBondContact OE2-NE 2.82Å; E21-R23 IonicContact OE2-NH2 4Å; E21-R23 PolarHBondContact OE2-NH2 3.03Å | ||
| 22 | E | 47 | Very low | 58.4 | Low | 186 Ų | 186 | 124.8 Ų | 124.8 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | trans | -64.5 | 83.9 | 171.7 | -78.7 | -160.1 | 122.4 | 0 | 0 | 107.3 | M20 D24 | M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 2.97Å; E22-D24 VanDerWaalsContact C-N 3.27Å; E22-D24 PolarHBondContact O-N 3.49Å | ||
| 23 | R | 56.9 | Low | 61.2 | Low | 156 Ų | 156 | 123.5 Ų | 123.5 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | trans | -73.2 | 90 | -178 | -162.6 | 174.5 | -65.3 | 179.7 | -2 | 107.2 | E21 | E21-R23 PolarHBondContact O-N 3.17Å; E21-R23 IonicContact OE2-CZ 2.76Å; E21-R23 VanDerWaalsContact OE2-CZ 3.22Å; E21-R23 IonicContact OE2-NE 2.87Å; E21-R23 PolarHBondContact OE2-NE 2.82Å; E21-R23 IonicContact OE2-NH2 4Å; E21-R23 PolarHBondContact OE2-NH2 3.03Å | ||
| 24 | D | 60.3 | Low | 63.6 | Low | 150 Ų | 150 | 120.4 Ų | 120.4 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | trans | -42.5 | 145.6 | -179 | -106 | -36.5 | 0 | 0 | 0 | 112 | E22 | E22-D24 VanDerWaalsContact C-N 3.27Å; E22-D24 PolarHBondContact O-N 3.49Å | ||
| 25 | S | 63.8 | Low | 66.3 | Low | 39 Ų | 39 | 119.4 Ų | 119.4 | 27% | 0.273 | 61% | 0.61 | S | S | . | * | trans | -54.1 | 137.6 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | Y27 V94 | S25-Y27 PolarHBondContact O-N 2.94Å; S25-V94 WeakPolarHBondContact CB-O 3.31Å; S25-V94 PolarHBondContact OG-O 3Å | ||
| 26 | P | 71.3 | Confident | 69 | Low | 90 Ų | 90 | 114.9 Ų | 114.9 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -65.9 | 1.5 | 177.6 | 27.9 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 27 | Y | 82.6 | Confident | 71.8 | Confident | 56 Ų | 56 | 111.9 Ų | 111.9 | 22% | 0.22 | 58% | 0.577 | C | S | . | * | S | Bend | trans | -122.7 | 142.4 | 179.5 | -63.8 | -70.7 | 0 | 0 | 0 | 110.8 | S25 E31 I35 I93 | S25-Y27 PolarHBondContact O-N 2.94Å; Y27-E31 HydrophobicContact CD1-CB 4.38Å; Y27-I35 HydrophobicContact CD1-CD1 3.84Å; Y27-I35 HydrophobicContact CD2-CD1 3.93Å; Y27-I35 HydrophobicContact CE1-CD1 3.95Å; Y27-I35 HydrophobicContact CE2-CD1 4.05Å; Y27-I35 HydrophobicContact CG-CD1 3.83Å; Y27-I93 HydrophobicContact CE2-CG2 3.61Å |
| 28 | K | 88 | Confident | 74.4 | Confident | 151 Ų | 151 | 109.2 Ų | 109.2 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | trans | -64.8 | 154.7 | 172.8 | -63.7 | 172.7 | -176.2 | 166.9 | 0 | 110.2 | V30 E31 V32 | K28-V30 PolarHBondContact O-N 3.1Å; K28-E31 HydrophobicContact CB-CG 4.3Å; K28-E31 PolarHBondContact N-OE2 3Å; K28-E31 CarbonylContact O-C 3.59Å; K28-E31 WeakPolarHBondContact O-CA 3.26Å; K28-E31 WeakPolarHBondContact O-CB 3.47Å; K28-E31 PolarHBondContact O-N 3.27Å; K28-V32 PolarHBondContact O-N 3.27Å | ||
| 29 | T | 87.9 | Confident | 77 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 72% | 0.724 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51.4 | -37.2 | -177.9 | -36 | 0 | 0 | 0 | 0 | 113.6 | V33 | T29-V33 WeakPolarHBondContact O-CB 3.44Å; T29-V33 VanDerWaalsContact O-CG2 3.3Å; T29-V33 WeakPolarHBondContact O-CG2 3.34Å; T29-V33 PolarHBondContact O-N 3.03Å |
| 30 | V | 90.8 | Very high | 79.8 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.3 | -38.6 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | K28 F34 | K28-V30 PolarHBondContact O-N 3.1Å; V30-F34 WeakPolarHBondContact O-CB 3.35Å; V30-F34 PolarHBondContact O-N 3.41Å |
| 31 | E | 90.1 | Very high | 82.6 | Confident | 81 Ų | 81 | 90.9 Ų | 90.9 | 38% | 0.379 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 177.2 | -64.4 | 159.4 | -177.1 | 0 | 0 | 110.4 | Y27 K28 F34 I35 | Y27-E31 HydrophobicContact CD1-CB 4.38Å; K28-E31 HydrophobicContact CB-CG 4.3Å; K28-E31 PolarHBondContact N-OE2 3Å; K28-E31 CarbonylContact O-C 3.59Å; K28-E31 WeakPolarHBondContact O-CA 3.26Å; K28-E31 WeakPolarHBondContact O-CB 3.47Å; K28-E31 PolarHBondContact O-N 3.27Å; E31-F34 PolarHBondContact O-N 3.08Å; E31-I35 WeakPolarHBondContact O-CB 3.45Å; E31-I35 VanDerWaalsContact O-CG1 3.24Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.08Å |
| 32 | V | 91 | Very high | 85.2 | Confident | 29 Ų | 29 | 86.8 Ų | 86.8 | 18% | 0.176 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -56.5 | -52.1 | 171.6 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | K28 F34 I35 V36 V94 | K28-V32 PolarHBondContact O-N 3.27Å; V32-F34 VanDerWaalsContact C-N 3.3Å; V32-F34 PolarHBondContact O-N 3.47Å; V32-I35 PolarHBondContact O-N 3.49Å; V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.32Å; V32-V36 PolarHBondContact O-N 3.14Å; V32-V94 HydrophobicContact CG1-CG1 3.67Å |
| 33 | V | 93.8 | Very high | 87.6 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 47% | 0.473 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 178.6 | 167.9 | 0 | 0 | 0 | 0 | 111 | T29 L37 | T29-V33 WeakPolarHBondContact O-CB 3.44Å; T29-V33 VanDerWaalsContact O-CG2 3.3Å; T29-V33 WeakPolarHBondContact O-CG2 3.34Å; T29-V33 PolarHBondContact O-N 3.03Å; V33-L37 HydrophobicContact CG1-CD1 3.79Å; V33-L37 HydrophobicContact CG1-CG 4.41Å; V33-L37 WeakPolarHBondContact O-CB 3.37Å; V33-L37 WeakPolarHBondContact O-CG 3.27Å; V33-L37 PolarHBondContact O-N 2.93Å |
| 34 | F | 94.8 | Very high | 89.6 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 63% | 0.627 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.3 | -46.9 | 175.7 | -179.8 | -99.6 | 0 | 0 | 0 | 112.6 | V30 E31 V32 L37 V38 | V30-F34 WeakPolarHBondContact O-CB 3.35Å; V30-F34 PolarHBondContact O-N 3.41Å; E31-F34 PolarHBondContact O-N 3.08Å; V32-F34 VanDerWaalsContact C-N 3.3Å; V32-F34 PolarHBondContact O-N 3.47Å; F34-L37 PolarHBondContact O-N 3.09Å; F34-V38 HydrophobicContact CD1-CG2 4.36Å; F34-V38 HydrophobicContact CD2-CG2 4.28Å; F34-V38 HydrophobicContact CE1-CG2 4Å; F34-V38 HydrophobicContact CE2-CG2 3.92Å; F34-V38 HydrophobicContact CG-CG2 4.5Å; F34-V38 HydrophobicContact CZ-CG2 3.77Å; F34-V38 WeakPolarHBondContact O-CB 3.36Å; F34-V38 WeakPolarHBondContact O-CG2 3.47Å; F34-V38 PolarHBondContact O-N 2.91Å |
| 35 | I | 93.9 | Very high | 91.3 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 177.8 | -71 | 163.7 | 0 | 0 | 0 | 110.5 | Y27 E31 V32 L37 V38 A39 V94 | Y27-I35 HydrophobicContact CD1-CD1 3.84Å; Y27-I35 HydrophobicContact CD2-CD1 3.93Å; Y27-I35 HydrophobicContact CE1-CD1 3.95Å; Y27-I35 HydrophobicContact CE2-CD1 4.05Å; Y27-I35 HydrophobicContact CG-CD1 3.83Å; E31-I35 WeakPolarHBondContact O-CB 3.45Å; E31-I35 VanDerWaalsContact O-CG1 3.24Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.08Å; V32-I35 PolarHBondContact O-N 3.49Å; I35-L37 PolarHBondContact O-N 3.13Å; I35-V38 PolarHBondContact O-N 3.01Å; I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 2.8Å; I35-V94 HydrophobicContact CG2-CG2 3.93Å |
| 36 | V | 95.3 | Very high | 93 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 179.6 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | V32 G40 V94 | V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.32Å; V32-V36 PolarHBondContact O-N 3.14Å; V36-G40 WeakPolarHBondContact O-CA 3.45Å; V36-G40 PolarHBondContact O-N 3.33Å; V36-V94 HydrophobicContact CG2-CG1 4.37Å; V36-V94 HydrophobicContact CG2-CG2 3.75Å |
| 37 | L | 96.4 | Very high | 94.3 | Very high | 120 Ų | 120 | 67.7 Ų | 67.7 | 63% | 0.628 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 177.8 | -73.3 | 171.3 | 0 | 0 | 0 | 112 | V33 F34 I35 S41 | V33-L37 HydrophobicContact CG1-CD1 3.79Å; V33-L37 HydrophobicContact CG1-CG 4.41Å; V33-L37 WeakPolarHBondContact O-CB 3.37Å; V33-L37 WeakPolarHBondContact O-CG 3.27Å; V33-L37 PolarHBondContact O-N 2.93Å; F34-L37 PolarHBondContact O-N 3.09Å; I35-L37 PolarHBondContact O-N 3.13Å; L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.42Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 3.23Å |
| 38 | V | 96.6 | Very high | 94.9 | Very high | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.358 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.3 | -53.1 | 179 | 172 | 0 | 0 | 0 | 0 | 110.8 | F34 I35 G40 S41 L42 | F34-V38 HydrophobicContact CD1-CG2 4.36Å; F34-V38 HydrophobicContact CD2-CG2 4.28Å; F34-V38 HydrophobicContact CE1-CG2 4Å; F34-V38 HydrophobicContact CE2-CG2 3.92Å; F34-V38 HydrophobicContact CG-CG2 4.5Å; F34-V38 HydrophobicContact CZ-CG2 3.77Å; F34-V38 WeakPolarHBondContact O-CB 3.36Å; F34-V38 WeakPolarHBondContact O-CG2 3.47Å; F34-V38 PolarHBondContact O-N 2.91Å; I35-V38 PolarHBondContact O-N 3.01Å; V38-G40 PolarHBondContact O-N 2.92Å; V38-S41 PolarHBondContact O-N 2.98Å; V38-S41 PolarHBondContact O-OG 3.37Å; V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.29Å; V38-L42 PolarHBondContact O-N 2.93Å |
| 39 | A | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I35 S41 L42 S43 T90 W463 | I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 2.8Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.24Å; A39-L42 PolarHBondContact O-N 3Å; A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.25Å; A39-T90 HydrophobicContact CB-CG2 3.92Å; A39-T90 WeakPolarHBondContact CB-OG1 3.44Å; A39-W463 HydrophobicContact CB-CH2 3.63Å; A39-W463 HydrophobicContact CB-CZ2 3.77Å; A39-W463 HydrophobicContact CB-CZ3 4.36Å |
| 40 | G | 96.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | V36 V38 L44 | V36-G40 WeakPolarHBondContact O-CA 3.45Å; V36-G40 PolarHBondContact O-N 3.33Å; V38-G40 PolarHBondContact O-N 2.92Å; G40-L44 WeakPolarHBondContact O-CB 3.41Å; G40-L44 PolarHBondContact O-N 3.22Å |
| 41 | S | 97.7 | Very high | 96.1 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 175.1 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | L37 V38 A39 L44 V45 | L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.42Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 3.23Å; V38-S41 PolarHBondContact O-N 2.98Å; V38-S41 PolarHBondContact O-OG 3.37Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.24Å; S41-L44 PolarHBondContact O-N 3.5Å; S41-V45 WeakPolarHBondContact O-CB 3.12Å; S41-V45 VanDerWaalsContact O-CG2 3.29Å; S41-V45 WeakPolarHBondContact O-CG2 3.44Å; S41-V45 PolarHBondContact O-N 2.87Å |
| 42 | L | 97.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 176.8 | -71.9 | 171 | 0 | 0 | 0 | 111.7 | V38 A39 V45 T46 I467 T470 | V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.29Å; V38-L42 PolarHBondContact O-N 2.93Å; A39-L42 PolarHBondContact O-N 3Å; L42-V45 PolarHBondContact O-N 2.97Å; L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.47Å; L42-T46 PolarHBondContact O-N 3Å; L42-T46 PolarHBondContact O-OG1 3.02Å; L42-I467 HydrophobicContact CD1-CD1 4.18Å; L42-I467 HydrophobicContact CD1-CG1 4.19Å; L42-T470 HydrophobicContact CD2-CG2 4.36Å |
| 43 | S | 98.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.6 | -54.5 | 170.9 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | A39 V45 T46 I47 G82 N87 | A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.25Å; S43-V45 PolarHBondContact O-N 3.18Å; S43-T46 WeakPolarHBondContact O-CB 3.48Å; S43-T46 PolarHBondContact O-N 3.38Å; S43-T46 VanDerWaalsContact O-N 3.12Å; S43-I47 WeakPolarHBondContact O-CD1 3.31Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.34Å; S43-I47 PolarHBondContact O-N 3.46Å; S43-G82 PolarHBondContact OG-O 3.21Å; S43-N87 WeakPolarHBondContact CB-OD1 3.41Å; S43-N87 PolarHBondContact OG-ND2 3.45Å; S43-N87 VanDerWaalsContact OG-ND2 3.15Å; S43-N87 PolarHBondContact OG-OD1 3.31Å |
| 44 | L | 97.9 | Very high | 96.7 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 179.8 | -175.7 | 62.1 | 0 | 0 | 0 | 113.1 | G40 S41 T46 I47 I48 | G40-L44 WeakPolarHBondContact O-CB 3.41Å; G40-L44 PolarHBondContact O-N 3.22Å; S41-L44 PolarHBondContact O-N 3.5Å; L44-T46 VanDerWaalsContact C-N 3.34Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-I48 HydrophobicContact CD1-CD1 3.77Å; L44-I48 HydrophobicContact CD1-CG1 4.22Å; L44-I48 HydrophobicContact CG-CD1 3.85Å; L44-I48 WeakPolarHBondContact O-CB 3.32Å; L44-I48 VanDerWaalsContact O-CG1 3.32Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 2.83Å |
| 45 | V | 97.8 | Very high | 96.6 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 52% | 0.515 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | S41 L42 S43 G49 T470 | S41-V45 WeakPolarHBondContact O-CB 3.12Å; S41-V45 VanDerWaalsContact O-CG2 3.29Å; S41-V45 WeakPolarHBondContact O-CG2 3.44Å; S41-V45 PolarHBondContact O-N 2.87Å; L42-V45 PolarHBondContact O-N 2.97Å; S43-V45 PolarHBondContact O-N 3.18Å; V45-G49 WeakPolarHBondContact O-CA 3.45Å; V45-G49 PolarHBondContact O-N 3.1Å; V45-T470 HydrophobicContact CB-CG2 4.24Å; V45-T470 HydrophobicContact CG1-CG2 3.74Å |
| 46 | T | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -45 | 177 | -57 | 0 | 0 | 0 | 0 | 111.4 | L42 S43 L44 N50 D78 M86 T470 | L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.47Å; L42-T46 PolarHBondContact O-N 3Å; L42-T46 PolarHBondContact O-OG1 3.02Å; S43-T46 WeakPolarHBondContact O-CB 3.48Å; S43-T46 PolarHBondContact O-N 3.38Å; S43-T46 VanDerWaalsContact O-N 3.12Å; L44-T46 VanDerWaalsContact C-N 3.34Å; T46-N50 WeakPolarHBondContact O-CB 3.28Å; T46-N50 PolarHBondContact O-N 3.13Å; T46-N50 PolarHBondContact O-ND2 2.85Å; T46-D78 WeakPolarHBondContact CG2-O 3.08Å; T46-M86 HydrophobicContact CG2-CE 4.14Å; T46-M86 WeakPolarHBondContact OG1-CE 3.48Å; T46-T470 WeakPolarHBondContact OG1-CA 3.03Å; T46-T470 WeakPolarHBondContact OG1-CB 3.43Å; T46-T470 WeakPolarHBondContact OG1-CG2 3.42Å; T46-T470 PolarHBondContact OG1-OG1 3.18Å |
| 47 | I | 98.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -56 | 177.6 | -67.4 | 160.8 | 0 | 0 | 0 | 110.4 | S43 L44 G49 N50 I51 L79 L83 | S43-I47 WeakPolarHBondContact O-CD1 3.31Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.34Å; S43-I47 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 2.91Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 2.77Å; I47-N50 PolarHBondContact O-N 3.08Å; I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 WeakPolarHBondContact O-CB 3.4Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.31Å; I47-I51 PolarHBondContact O-N 3.1Å; I47-L79 HydrophobicContact CB-CD1 4.25Å; I47-L79 HydrophobicContact CG1-CD1 4.3Å; I47-L79 HydrophobicContact CG2-CD1 4.02Å; I47-L83 HydrophobicContact CD1-CD2 3.73Å; I47-L83 HydrophobicContact CD1-CG 4.34Å; I47-L83 HydrophobicContact CG1-CD2 3.9Å; I47-L83 HydrophobicContact CG1-CG 4.08Å; I47-L83 HydrophobicContact CG2-CD2 4.31Å |
| 48 | I | 97 | Very high | 96.3 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 43% | 0.431 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61 | -44.5 | -179.4 | -67.1 | 171.7 | 0 | 0 | 0 | 110.8 | L44 L52 | L44-I48 HydrophobicContact CD1-CD1 3.77Å; L44-I48 HydrophobicContact CD1-CG1 4.22Å; L44-I48 HydrophobicContact CG-CD1 3.85Å; L44-I48 WeakPolarHBondContact O-CB 3.32Å; L44-I48 VanDerWaalsContact O-CG1 3.32Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 2.83Å; I48-L52 HydrophobicContact CG2-CD1 3.91Å; I48-L52 HydrophobicContact CG2-CG 4.44Å; I48-L52 WeakPolarHBondContact O-CB 3.4Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 2.93Å |
| 49 | G | 96.7 | Very high | 96 | Very high | 11 Ų | 11 | 41 Ų | 41 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V45 I47 L52 V53 P473 | V45-G49 WeakPolarHBondContact O-CA 3.45Å; V45-G49 PolarHBondContact O-N 3.1Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 2.77Å; G49-L52 PolarHBondContact O-N 3.32Å; G49-V53 WeakPolarHBondContact O-CG2 3.26Å; G49-V53 PolarHBondContact O-N 3.44Å; G49-V53 VanDerWaalsContact O-N 3.15Å; G49-P473 VanDerWaalsContact C-CG 3.5Å |
| 50 | N | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.8 | -34.9 | -177.5 | -73.9 | -66.4 | 0 | 0 | 0 | 112.9 | T46 I47 L52 V53 M54 A75 D78 L79 S469 P473 | T46-N50 WeakPolarHBondContact O-CB 3.28Å; T46-N50 PolarHBondContact O-N 3.13Å; T46-N50 PolarHBondContact O-ND2 2.85Å; I47-N50 PolarHBondContact O-N 3.08Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-L52 PolarHBondContact O-N 3.31Å; N50-V53 WeakPolarHBondContact O-CB 3.39Å; N50-V53 PolarHBondContact O-N 3.25Å; N50-V53 VanDerWaalsContact O-N 3.16Å; N50-M54 WeakPolarHBondContact O-CG 3.38Å; N50-M54 PolarHBondContact O-N 2.96Å; N50-A75 HydrophobicContact CB-CB 4.28Å; N50-A75 WeakPolarHBondContact OD1-CA 3.38Å; N50-D78 WeakPolarHBondContact ND2-CB 3.33Å; N50-L79 HydrophobicContact CB-CB 4.09Å; N50-S469 PolarHBondContact ND2-O 3.41Å; N50-S469 VanDerWaalsContact ND2-O 3.11Å; N50-P473 HydrophobicContact CB-CG 4.49Å; N50-P473 WeakPolarHBondContact OD1-CG 3.26Å |
| 51 | I | 97.1 | Very high | 95.1 | Very high | 71 Ų | 71 | 49 Ų | 49 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 169.3 | -70.9 | 170.4 | 0 | 0 | 0 | 110.9 | I47 V53 M54 L55 L79 | I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 WeakPolarHBondContact O-CB 3.4Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.31Å; I47-I51 PolarHBondContact O-N 3.1Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; I51-M54 PolarHBondContact O-N 2.9Å; I51-L55 HydrophobicContact CG2-CD1 3.73Å; I51-L55 HydrophobicContact CG2-CG 4.14Å; I51-L55 WeakPolarHBondContact O-CB 3.19Å; I51-L55 VanDerWaalsContact O-CG 3.32Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.46Å; I51-L79 HydrophobicContact CD1-CD1 4.24Å; I51-L79 HydrophobicContact CG1-CD1 3.98Å; I51-L79 HydrophobicContact CG1-CD2 4.07Å |
| 52 | L | 95.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 176.2 | -74.2 | 169.3 | 0 | 0 | 0 | 112.9 | I48 G49 N50 S56 F487 L490 L491 | I48-L52 HydrophobicContact CG2-CD1 3.91Å; I48-L52 HydrophobicContact CG2-CG 4.44Å; I48-L52 WeakPolarHBondContact O-CB 3.4Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 2.93Å; G49-L52 PolarHBondContact O-N 3.32Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-L52 PolarHBondContact O-N 3.31Å; L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.28Å; L52-S56 PolarHBondContact O-OG 3.25Å; L52-F487 HydrophobicContact CB-CD1 4.29Å; L52-F487 HydrophobicContact CB-CE1 3.94Å; L52-F487 HydrophobicContact CB-CE2 4.21Å; L52-F487 HydrophobicContact CB-CZ 3.9Å; L52-F487 WeakPolarHBondContact O-CE1 3.24Å; L52-L490 HydrophobicContact CD2-CB 4.06Å; L52-L490 HydrophobicContact CD2-CD1 4.12Å; L52-L491 HydrophobicContact CD1-CD2 4.15Å; L52-L491 HydrophobicContact CD1-CG 4.44Å; L52-L491 HydrophobicContact CD2-CD2 4.3Å; L52-L491 HydrophobicContact CD2-CG 4.38Å |
| 53 | V | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -52.9 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | G49 N50 I51 L55 S56 I57 A75 P473 Y476 F483 F487 | G49-V53 WeakPolarHBondContact O-CG2 3.26Å; G49-V53 PolarHBondContact O-N 3.44Å; G49-V53 VanDerWaalsContact O-N 3.15Å; N50-V53 WeakPolarHBondContact O-CB 3.39Å; N50-V53 PolarHBondContact O-N 3.25Å; N50-V53 VanDerWaalsContact O-N 3.16Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; V53-L55 PolarHBondContact O-N 3.15Å; V53-S56 PolarHBondContact O-N 3.2Å; V53-I57 HydrophobicContact CG1-CD1 3.87Å; V53-I57 WeakPolarHBondContact O-CG1 3.44Å; V53-I57 PolarHBondContact O-N 2.87Å; V53-I57 VanDerWaalsContact O-N 3.13Å; V53-A75 HydrophobicContact CB-CB 4.06Å; V53-A75 HydrophobicContact CG1-CB 3.85Å; V53-P473 HydrophobicContact CG2-CB 3.97Å; V53-P473 HydrophobicContact CG2-CG 4.19Å; V53-Y476 HydrophobicContact CB-CD2 4.47Å; V53-Y476 HydrophobicContact CG1-CD2 3.92Å; V53-Y476 HydrophobicContact CG1-CE2 4.02Å; V53-Y476 HydrophobicContact CG2-CD2 3.62Å; V53-Y476 HydrophobicContact CG2-CE2 4.04Å; V53-F483 HydrophobicContact CG1-CE1 4.16Å; V53-F483 HydrophobicContact CG1-CZ 4.49Å; V53-F487 HydrophobicContact CG2-CE1 4.39Å; V53-F487 HydrophobicContact CG2-CZ 3.82Å |
| 54 | M | 96.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | -178.4 | -68.4 | 170.5 | 69.1 | 0 | 0 | 111.8 | N50 I51 S56 I57 K58 F72 A75 C76 L79 | N50-M54 WeakPolarHBondContact O-CG 3.38Å; N50-M54 PolarHBondContact O-N 2.96Å; I51-M54 PolarHBondContact O-N 2.9Å; M54-S56 PolarHBondContact O-N 2.94Å; M54-I57 PolarHBondContact O-N 2.89Å; M54-K58 WeakPolarHBondContact O-CB 3.38Å; M54-K58 PolarHBondContact O-N 3.11Å; M54-F72 HydrophobicContact CB-CD2 4.15Å; M54-F72 HydrophobicContact CB-CE2 3.67Å; M54-F72 HydrophobicContact CB-CZ 4.33Å; M54-F72 HydrophobicContact CE-CE1 4.28Å; M54-F72 HydrophobicContact CE-CE2 4.31Å; M54-F72 HydrophobicContact CE-CZ 3.81Å; M54-F72 HydrophobicContact CG-CD2 4.08Å; M54-F72 HydrophobicContact CG-CE2 3.86Å; M54-F72 HydrophobicContact CG-CZ 4.27Å; M54-A75 HydrophobicContact CG-CB 4.01Å; M54-C76 VanDerWaalsContact CE-SG 3.58Å; M54-L79 HydrophobicContact CE-CD2 4.5Å; M54-L79 HydrophobicContact SD-CD2 3.81Å |
| 55 | L | 94 | Very high | 93.4 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 176 | -70.6 | 178.2 | 0 | 0 | 0 | 112 | I51 V53 I57 K58 V59 L490 | I51-L55 HydrophobicContact CG2-CD1 3.73Å; I51-L55 HydrophobicContact CG2-CG 4.14Å; I51-L55 WeakPolarHBondContact O-CB 3.19Å; I51-L55 VanDerWaalsContact O-CG 3.32Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.46Å; V53-L55 PolarHBondContact O-N 3.15Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 2.99Å; L55-K58 PolarHBondContact O-N 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.17Å; L55-L490 HydrophobicContact CB-CD1 4.05Å |
| 56 | S | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 178.3 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | L52 V53 M54 N60 T486 F487 L490 | L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.28Å; L52-S56 PolarHBondContact O-OG 3.25Å; V53-S56 PolarHBondContact O-N 3.2Å; M54-S56 PolarHBondContact O-N 2.94Å; S56-N60 VanDerWaalsContact O-CB 3.28Å; S56-N60 WeakPolarHBondContact O-CB 3.41Å; S56-N60 PolarHBondContact O-N 3.13Å; S56-T486 WeakPolarHBondContact OG-CG2 3.46Å; S56-F487 VanDerWaalsContact OG-CD1 3.24Å; S56-F487 WeakPolarHBondContact OG-CD1 3.35Å; S56-F487 WeakPolarHBondContact OG-CE1 3.47Å; S56-L490 VanDerWaalsContact OG-CD1 3.31Å; S56-L490 WeakPolarHBondContact OG-CD1 3.37Å |
| 57 | I | 93.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.1 | -39.5 | 178.3 | -61 | 161.4 | 0 | 0 | 0 | 110.6 | V53 M54 L55 Q64 N68 F72 F483 | V53-I57 HydrophobicContact CG1-CD1 3.87Å; V53-I57 WeakPolarHBondContact O-CG1 3.44Å; V53-I57 PolarHBondContact O-N 2.87Å; V53-I57 VanDerWaalsContact O-N 3.13Å; M54-I57 PolarHBondContact O-N 2.89Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 2.99Å; I57-Q64 WeakPolarHBondContact O-CG 3.39Å; I57-Q64 PolarHBondContact O-NE2 3.3Å; I57-N68 HydrophobicContact CD1-CB 4.29Å; I57-N68 HydrophobicContact CG1-CB 4.34Å; I57-F72 HydrophobicContact CB-CD2 4.28Å; I57-F72 HydrophobicContact CD1-CB 3.96Å; I57-F72 HydrophobicContact CD1-CD2 4.16Å; I57-F72 HydrophobicContact CG2-CD2 4.35Å; I57-F483 HydrophobicContact CD1-CE1 4.26Å; I57-F483 HydrophobicContact CD1-CZ 3.95Å; I57-F483 HydrophobicContact CG1-CE1 3.84Å; I57-F483 HydrophobicContact CG1-CZ 3.7Å |
| 58 | K | 91.8 | Very high | 92 | Very high | 161 Ų | 161 | 48.6 Ų | 48.6 | 70% | 0.7 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.9 | -37.4 | 179.6 | -166.8 | 171 | -177 | 176.5 | 0 | 113 | M54 L55 Q64 | M54-K58 WeakPolarHBondContact O-CB 3.38Å; M54-K58 PolarHBondContact O-N 3.11Å; L55-K58 PolarHBondContact O-N 3.26Å; K58-Q64 PolarHBondContact O-NE2 3.41Å |
| 59 | V | 89.8 | Confident | 91.8 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -87.2 | -44.3 | -176.2 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | L55 R61 Y495 I498 | L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.17Å; V59-R61 PolarHBondContact O-N 3.38Å; V59-Y495 HydrophobicContact CG1-CD1 4.14Å; V59-Y495 HydrophobicContact CG2-CD1 4.22Å; V59-Y495 HydrophobicContact CG2-CE1 4Å; V59-I498 HydrophobicContact CG1-CB 4.21Å; V59-I498 HydrophobicContact CG1-CD1 4.19Å; V59-I498 HydrophobicContact CG1-CG2 3.93Å |
| 60 | N | 88.6 | Confident | 91.6 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | trans | -93.1 | 105.3 | -174 | -170.7 | -13.3 | 0 | 0 | 0 | 111.3 | S56 N62 L63 T486 I498 | S56-N60 VanDerWaalsContact O-CB 3.28Å; S56-N60 WeakPolarHBondContact O-CB 3.41Å; S56-N60 PolarHBondContact O-N 3.13Å; N60-N62 PolarHBondContact O-N 3.17Å; N60-N62 VanDerWaalsContact O-N 3.1Å; N60-N62 VanDerWaalsContact OD1-CB 3.29Å; N60-N62 WeakPolarHBondContact OD1-CB 3.46Å; N60-N62 PolarHBondContact OD1-N 3.32Å; N60-N62 PolarHBondContact OD1-ND2 2.98Å; N60-N62 VanDerWaalsContact OD1-ND2 3.08Å; N60-L63 HydrophobicContact CB-CB 4.4Å; N60-L63 HydrophobicContact CB-CD1 4.14Å; N60-L63 HydrophobicContact CB-CG 4.24Å; N60-L63 WeakPolarHBondContact O-CA 3.49Å; N60-L63 WeakPolarHBondContact O-CB 3.43Å; N60-L63 PolarHBondContact O-N 3.42Å; N60-T486 HydrophobicContact CB-CG2 4.03Å; N60-T486 PolarHBondContact ND2-OG1 3.04Å; N60-I498 HydrophobicContact CB-CG2 3.81Å | ||
| 61 | R | 87.2 | Confident | 91.4 | Very high | 194 Ų | 194 | 49.8 Ų | 49.8 | 73% | 0.732 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -56.5 | -27.1 | 177 | -73.6 | -171.4 | 167.7 | -175.2 | -3.9 | 113.7 | V59 L63 Q64 | V59-R61 PolarHBondContact O-N 3.38Å; R61-L63 PolarHBondContact O-N 3.41Å; R61-Q64 WeakPolarHBondContact O-CB 3.34Å; R61-Q64 PolarHBondContact O-N 3.31Å; R61-Q64 VanDerWaalsContact O-N 3.08Å |
| 62 | N | 87.4 | Confident | 91.3 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -70.2 | -14.2 | 175 | -56.4 | -71.3 | 0 | 0 | 0 | 113.4 | N60 | N60-N62 PolarHBondContact O-N 3.17Å; N60-N62 VanDerWaalsContact O-N 3.1Å; N60-N62 VanDerWaalsContact OD1-CB 3.29Å; N60-N62 WeakPolarHBondContact OD1-CB 3.46Å; N60-N62 PolarHBondContact OD1-N 3.32Å; N60-N62 PolarHBondContact OD1-ND2 2.98Å; N60-N62 VanDerWaalsContact OD1-ND2 3.08Å |
| 63 | L | 88.3 | Confident | 91.4 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -97.1 | -2.8 | 171.5 | -66.9 | 177.2 | 0 | 0 | 0 | 112.9 | N60 R61 T65 N68 T482 F483 T486 | N60-L63 HydrophobicContact CB-CB 4.4Å; N60-L63 HydrophobicContact CB-CD1 4.14Å; N60-L63 HydrophobicContact CB-CG 4.24Å; N60-L63 WeakPolarHBondContact O-CA 3.49Å; N60-L63 WeakPolarHBondContact O-CB 3.43Å; N60-L63 PolarHBondContact O-N 3.42Å; R61-L63 PolarHBondContact O-N 3.41Å; L63-T65 PolarHBondContact O-N 2.68Å; L63-N68 VanDerWaalsContact O-CB 3.29Å; L63-N68 WeakPolarHBondContact O-CB 3.46Å; L63-N68 PolarHBondContact O-ND2 2.87Å; L63-T482 HydrophobicContact CD1-CG2 4.4Å; L63-T482 HydrophobicContact CD2-CG2 3.62Å; L63-T482 HydrophobicContact CG-CG2 3.86Å; L63-F483 HydrophobicContact CD1-CD1 3.85Å; L63-F483 HydrophobicContact CD1-CE1 3.91Å; L63-F483 HydrophobicContact CD1-CG 4.18Å; L63-F483 HydrophobicContact CD1-CZ 4.27Å; L63-F483 HydrophobicContact CD2-CD2 4Å; L63-F483 HydrophobicContact CD2-CE2 3.97Å; L63-F483 HydrophobicContact CD2-CG 4.39Å; L63-F483 HydrophobicContact CD2-CZ 4.35Å; L63-T486 HydrophobicContact CD1-CG2 4.45Å |
| 64 | Q | 88.9 | Confident | 91.4 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | trans | -83.3 | 54.7 | -180 | -66.3 | 177.1 | -6.2 | 0 | 0 | 111.8 | I57 K58 R61 | I57-Q64 WeakPolarHBondContact O-CG 3.39Å; I57-Q64 PolarHBondContact O-NE2 3.3Å; K58-Q64 PolarHBondContact O-NE2 3.41Å; R61-Q64 WeakPolarHBondContact O-CB 3.34Å; R61-Q64 PolarHBondContact O-N 3.31Å; R61-Q64 VanDerWaalsContact O-N 3.08Å | ||
| 65 | T | 89.6 | Confident | 91.4 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -102.7 | 151.1 | 176.4 | 75 | 0 | 0 | 0 | 0 | 110.4 | L63 N67 N68 Y69 | L63-T65 PolarHBondContact O-N 2.68Å; T65-N67 PolarHBondContact O-N 2.81Å; T65-N67 VanDerWaalsContact O-N 3.1Å; T65-N68 WeakPolarHBondContact O-CB 3.38Å; T65-N68 PolarHBondContact O-N 2.66Å; T65-Y69 PolarHBondContact O-N 3.01Å |
| 66 | V | 88.4 | Confident | 91.6 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -50.5 | -40.6 | -179 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | N68 Y69 F70 R144 T146 A149 | V66-N68 PolarHBondContact O-N 3.03Å; V66-N68 VanDerWaalsContact O-N 3.1Å; V66-Y69 WeakPolarHBondContact O-CB 3.26Å; V66-Y69 PolarHBondContact O-N 3.26Å; V66-Y69 VanDerWaalsContact O-N 3.08Å; V66-F70 HydrophobicContact CG1-CE2 4.26Å; V66-R144 HydrophobicContact CG1-CG 4.02Å; V66-T146 HydrophobicContact CG2-CG2 4.03Å; V66-A149 HydrophobicContact CG1-CB 3.51Å |
| 67 | N | 85.9 | Confident | 91.9 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -48 | -40.6 | 174.2 | -48.9 | -30.2 | 0 | 0 | 0 | 113.4 | T65 R130 R144 | T65-N67 PolarHBondContact O-N 2.81Å; T65-N67 VanDerWaalsContact O-N 3.1Å; N67-R130 VanDerWaalsContact CG-NH1 3.31Å; N67-R130 PolarHBondContact ND2-NH2 2.92Å; N67-R130 PolarHBondContact OD1-NH1 2.94Å; N67-R130 PolarHBondContact OD1-NH2 3.43Å; N67-R144 PolarHBondContact OD1-NH1 3.49Å; N67-R144 PolarHBondContact OD1-NH2 2.98Å |
| 68 | N | 91.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -89.6 | -11.2 | -170.9 | -62.4 | -1 | 0 | 0 | 0 | 111.6 | I57 L63 T65 V66 F70 L71 F72 | I57-N68 HydrophobicContact CD1-CB 4.29Å; I57-N68 HydrophobicContact CG1-CB 4.34Å; L63-N68 VanDerWaalsContact O-CB 3.29Å; L63-N68 WeakPolarHBondContact O-CB 3.46Å; L63-N68 PolarHBondContact O-ND2 2.87Å; T65-N68 WeakPolarHBondContact O-CB 3.38Å; T65-N68 PolarHBondContact O-N 2.66Å; V66-N68 PolarHBondContact O-N 3.03Å; V66-N68 VanDerWaalsContact O-N 3.1Å; N68-F70 VanDerWaalsContact C-N 3.32Å; N68-L71 PolarHBondContact O-N 3.16Å; N68-F72 WeakPolarHBondContact O-CB 3.3Å; N68-F72 PolarHBondContact O-N 2.96Å |
| 69 | Y | 93.3 | Very high | 92.4 | Very high | 97 Ų | 97 | 38.5 Ų | 38.5 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 165.6 | -81.7 | -104.2 | 0 | 0 | 0 | 110.4 | T65 V66 F72 S73 T146 I153 | T65-Y69 PolarHBondContact O-N 3.01Å; V66-Y69 WeakPolarHBondContact O-CB 3.26Å; V66-Y69 PolarHBondContact O-N 3.26Å; V66-Y69 VanDerWaalsContact O-N 3.08Å; Y69-F72 WeakPolarHBondContact O-CB 3.39Å; Y69-F72 PolarHBondContact O-N 3.17Å; Y69-S73 PolarHBondContact O-N 2.93Å; Y69-T146 HydrophobicContact CD2-CG2 4.49Å; Y69-T146 HydrophobicContact CE2-CG2 3.95Å; Y69-I153 WeakPolarHBondContact O-CD1 3.2Å |
| 70 | F | 92.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 172.6 | -53.9 | -53.3 | 0 | 0 | 0 | 112.1 | V66 N68 F72 S73 L74 I125 I126 D129 A149 M152 I153 | V66-F70 HydrophobicContact CG1-CE2 4.26Å; N68-F70 VanDerWaalsContact C-N 3.32Å; F70-F72 VanDerWaalsContact C-N 3.3Å; F70-F72 PolarHBondContact O-N 3.12Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-L74 WeakPolarHBondContact O-CB 3.48Å; F70-L74 PolarHBondContact O-N 3.06Å; F70-I125 HydrophobicContact CD1-CG2 3.56Å; F70-I125 HydrophobicContact CD2-CG2 4.41Å; F70-I125 HydrophobicContact CE1-CG2 3.34Å; F70-I125 HydrophobicContact CE2-CG2 4.22Å; F70-I125 HydrophobicContact CG-CG2 4.12Å; F70-I125 HydrophobicContact CZ-CG2 3.7Å; F70-I126 HydrophobicContact CB-CD1 3.97Å; F70-I126 HydrophobicContact CB-CG1 3.58Å; F70-I126 HydrophobicContact CD2-CG1 4.46Å; F70-I126 HydrophobicContact CG-CG1 4.25Å; F70-D129 HydrophobicContact CE2-CB 4.21Å; F70-A149 HydrophobicContact CE1-CB 3.64Å; F70-A149 HydrophobicContact CE2-CB 4.34Å; F70-A149 HydrophobicContact CZ-CB 3.51Å; F70-M152 HydrophobicContact CE1-CB 4.34Å; F70-M152 HydrophobicContact CZ-SD 4.35Å; F70-I153 HydrophobicContact CD1-CD1 3.83Å; F70-I153 HydrophobicContact CD1-CG1 3.76Å; F70-I153 HydrophobicContact CE1-CD1 4.27Å; F70-I153 HydrophobicContact CE1-CG1 4.12Å |
| 71 | L | 92.5 | Very high | 93.3 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -29.9 | 173.4 | -57.2 | -176.4 | 0 | 0 | 0 | 112.9 | N68 A75 I126 Y476 F483 | N68-L71 PolarHBondContact O-N 3.16Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 3.27Å; L71-I126 HydrophobicContact CD2-CD1 3.99Å; L71-Y476 HydrophobicContact CD1-CD1 4.35Å; L71-Y476 HydrophobicContact CD1-CE1 4.44Å; L71-Y476 HydrophobicContact CD2-CD1 4.45Å; L71-Y476 HydrophobicContact CD2-CE1 3.77Å; L71-F483 HydrophobicContact CD1-CE2 4.35Å |
| 72 | F | 95.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 29.1 Ų | 29.1 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69.2 | -44.4 | 173.2 | -172.1 | -83.9 | 0 | 0 | 0 | 111.1 | M54 I57 N68 Y69 F70 A75 C76 | M54-F72 HydrophobicContact CB-CD2 4.15Å; M54-F72 HydrophobicContact CB-CE2 3.67Å; M54-F72 HydrophobicContact CB-CZ 4.33Å; M54-F72 HydrophobicContact CE-CE1 4.28Å; M54-F72 HydrophobicContact CE-CE2 4.31Å; M54-F72 HydrophobicContact CE-CZ 3.81Å; M54-F72 HydrophobicContact CG-CD2 4.08Å; M54-F72 HydrophobicContact CG-CE2 3.86Å; M54-F72 HydrophobicContact CG-CZ 4.27Å; I57-F72 HydrophobicContact CB-CD2 4.28Å; I57-F72 HydrophobicContact CD1-CB 3.96Å; I57-F72 HydrophobicContact CD1-CD2 4.16Å; I57-F72 HydrophobicContact CG2-CD2 4.35Å; N68-F72 WeakPolarHBondContact O-CB 3.3Å; N68-F72 PolarHBondContact O-N 2.96Å; Y69-F72 WeakPolarHBondContact O-CB 3.39Å; Y69-F72 PolarHBondContact O-N 3.17Å; F70-F72 VanDerWaalsContact C-N 3.3Å; F70-F72 PolarHBondContact O-N 3.12Å; F72-A75 PolarHBondContact O-N 3.35Å; F72-C76 VanDerWaalsContact CE1-SG 3.53Å; F72-C76 PolarHBondContact O-N 2.95Å; F72-C76 PolarHBondContact O-SG 2.72Å |
| 73 | S | 96.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | Y69 F70 C76 A77 N122 I153 W157 | Y69-S73 PolarHBondContact O-N 2.93Å; F70-S73 PolarHBondContact O-N 3.32Å; S73-C76 WeakPolarHBondContact O-CB 3.39Å; S73-C76 PolarHBondContact O-N 3.41Å; S73-A77 PolarHBondContact O-N 3.13Å; S73-A77 VanDerWaalsContact O-N 3.14Å; S73-N122 VanDerWaalsContact CB-OD1 3.26Å; S73-N122 WeakPolarHBondContact CB-OD1 3.44Å; S73-N122 VanDerWaalsContact OG-CG 3.27Å; S73-N122 PolarHBondContact OG-ND2 2.84Å; S73-N122 VanDerWaalsContact OG-ND2 3.13Å; S73-N122 PolarHBondContact OG-OD1 3.46Å; S73-I153 WeakPolarHBondContact OG-CG2 3.25Å; S73-W157 PolarHBondContact OG-NE1 3.09Å; S73-W157 VanDerWaalsContact OG-NE1 3.15Å |
| 74 | L | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.8 | -176.8 | 52.4 | 0 | 0 | 0 | 111.8 | F70 C76 A77 D78 S119 N122 L123 I126 Y476 | F70-L74 WeakPolarHBondContact O-CB 3.48Å; F70-L74 PolarHBondContact O-N 3.06Å; L74-C76 VanDerWaalsContact C-N 3.28Å; L74-C76 PolarHBondContact O-N 3.15Å; L74-A77 PolarHBondContact O-N 2.98Å; L74-A77 VanDerWaalsContact O-N 3.14Å; L74-D78 WeakPolarHBondContact O-CB 3.4Å; L74-D78 VanDerWaalsContact O-CG 3.29Å; L74-D78 PolarHBondContact O-N 3.17Å; L74-S119 WeakPolarHBondContact CD1-OG 3.45Å; L74-N122 HydrophobicContact CB-CB 4.48Å; L74-L123 HydrophobicContact CD2-CD2 3.76Å; L74-L123 HydrophobicContact CD2-CG 4.38Å; L74-I126 HydrophobicContact CD2-CD1 4.37Å; L74-Y476 VanDerWaalsContact CD2-OH 3.31Å; L74-Y476 WeakPolarHBondContact CD2-OH 3.37Å |
| 75 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -28.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N50 V53 M54 L71 F72 L79 | N50-A75 HydrophobicContact CB-CB 4.28Å; N50-A75 WeakPolarHBondContact OD1-CA 3.38Å; V53-A75 HydrophobicContact CB-CB 4.06Å; V53-A75 HydrophobicContact CG1-CB 3.85Å; M54-A75 HydrophobicContact CG-CB 4.01Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 3.27Å; F72-A75 PolarHBondContact O-N 3.35Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 PolarHBondContact O-N 3.47Å |
| 76 | C | 98.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 20% | 0.203 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.3 | -42.5 | 171.7 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | M54 F72 S73 L74 L79 I80 | M54-C76 VanDerWaalsContact CE-SG 3.58Å; F72-C76 VanDerWaalsContact CE1-SG 3.53Å; F72-C76 PolarHBondContact O-N 2.95Å; F72-C76 PolarHBondContact O-SG 2.72Å; S73-C76 WeakPolarHBondContact O-CB 3.39Å; S73-C76 PolarHBondContact O-N 3.41Å; L74-C76 VanDerWaalsContact C-N 3.28Å; L74-C76 PolarHBondContact O-N 3.15Å; C76-L79 PolarHBondContact O-N 2.77Å; C76-I80 WeakPolarHBondContact O-CD1 3.4Å; C76-I80 WeakPolarHBondContact O-CG1 3.17Å; C76-I80 PolarHBondContact O-N 3.06Å |
| 77 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S73 L74 L79 I80 I81 V115 S119 W157 | S73-A77 PolarHBondContact O-N 3.13Å; S73-A77 VanDerWaalsContact O-N 3.14Å; L74-A77 PolarHBondContact O-N 2.98Å; L74-A77 VanDerWaalsContact O-N 3.14Å; A77-L79 PolarHBondContact O-N 3.36Å; A77-I80 PolarHBondContact O-N 3.47Å; A77-I81 PolarHBondContact O-N 2.8Å; A77-V115 HydrophobicContact CB-CG1 3.74Å; A77-V115 VanDerWaalsContact O-CG1 3.29Å; A77-V115 WeakPolarHBondContact O-CG1 3.13Å; A77-S119 WeakPolarHBondContact CB-OG 3.32Å; A77-W157 HydrophobicContact CB-CH2 3.8Å; A77-W157 HydrophobicContact CB-CZ2 3.83Å |
| 78 | D | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -33.4 | 177.3 | -69.6 | -27.9 | 0 | 0 | 0 | 112.7 | T46 N50 L74 G82 S469 N472 | T46-D78 WeakPolarHBondContact CG2-O 3.08Å; N50-D78 WeakPolarHBondContact ND2-CB 3.33Å; L74-D78 WeakPolarHBondContact O-CB 3.4Å; L74-D78 VanDerWaalsContact O-CG 3.29Å; L74-D78 PolarHBondContact O-N 3.17Å; D78-G82 PolarHBondContact O-N 3.09Å; D78-S469 WeakPolarHBondContact OD1-CA 3.42Å; D78-S469 VanDerWaalsContact OD1-CB 3.22Å; D78-S469 WeakPolarHBondContact OD1-CB 3.46Å; D78-S469 PolarHBondContact OD1-OG 3Å; D78-N472 WeakPolarHBondContact OD2-CB 3.5Å; D78-N472 PolarHBondContact OD2-ND2 3.15Å |
| 79 | L | 98.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 26 Ų | 26 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -37.8 | 173.3 | 178.8 | 59.9 | 0 | 0 | 0 | 112.5 | I47 N50 I51 M54 A75 C76 A77 G82 L83 | I47-L79 HydrophobicContact CB-CD1 4.25Å; I47-L79 HydrophobicContact CG1-CD1 4.3Å; I47-L79 HydrophobicContact CG2-CD1 4.02Å; N50-L79 HydrophobicContact CB-CB 4.09Å; I51-L79 HydrophobicContact CD1-CD1 4.24Å; I51-L79 HydrophobicContact CG1-CD1 3.98Å; I51-L79 HydrophobicContact CG1-CD2 4.07Å; M54-L79 HydrophobicContact CE-CD2 4.5Å; M54-L79 HydrophobicContact SD-CD2 3.81Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 PolarHBondContact O-N 3.47Å; C76-L79 PolarHBondContact O-N 2.77Å; A77-L79 PolarHBondContact O-N 3.36Å; L79-G82 PolarHBondContact O-N 2.9Å; L79-L83 HydrophobicContact CD1-CD1 3.91Å; L79-L83 HydrophobicContact CD1-CG 4.05Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.44Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.43Å; L79-L83 PolarHBondContact O-N 3.35Å |
| 80 | I | 98.4 | Very high | 97 | Very high | 49 Ų | 49 | 22.1 Ų | 22.1 | 25% | 0.251 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -69.4 | -40 | 176.8 | -65.3 | 160.8 | 0 | 0 | 0 | 110.7 | C76 A77 G82 L83 C84 L111 V115 W157 | C76-I80 WeakPolarHBondContact O-CD1 3.4Å; C76-I80 WeakPolarHBondContact O-CG1 3.17Å; C76-I80 PolarHBondContact O-N 3.06Å; A77-I80 PolarHBondContact O-N 3.47Å; I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.49Å; I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 3.09Å; I80-L111 HydrophobicContact CG2-CD1 4.07Å; I80-L111 HydrophobicContact CG2-CD2 3.83Å; I80-L111 HydrophobicContact CG2-CG 4.1Å; I80-V115 HydrophobicContact CB-CG1 4.19Å; I80-V115 HydrophobicContact CB-CG2 4.28Å; I80-V115 HydrophobicContact CD1-CG2 4.33Å; I80-V115 HydrophobicContact CG2-CG1 4.37Å; I80-V115 HydrophobicContact CG2-CG2 3.77Å; I80-W157 HydrophobicContact CD1-CH2 4.11Å |
| 81 | I | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -58.4 | -45.8 | 171.6 | -61.1 | -59.4 | 0 | 0 | 0 | 110.7 | A77 S85 M86 D112 V115 Y466 | A77-I81 PolarHBondContact O-N 2.8Å; I81-S85 WeakPolarHBondContact O-CB 3.32Å; I81-S85 PolarHBondContact O-N 3.43Å; I81-M86 HydrophobicContact CG2-CE 4.42Å; I81-M86 HydrophobicContact CG2-CG 4.36Å; I81-M86 WeakPolarHBondContact O-CG 3.44Å; I81-M86 PolarHBondContact O-N 3.38Å; I81-D112 VanDerWaalsContact CD1-OD1 3.26Å; I81-D112 WeakPolarHBondContact CD1-OD1 3.25Å; I81-V115 HydrophobicContact CD1-CB 4.11Å; I81-V115 HydrophobicContact CD1-CG1 3.66Å; I81-V115 HydrophobicContact CG1-CG1 3.77Å; I81-Y466 HydrophobicContact CG2-CD1 3.63Å; I81-Y466 HydrophobicContact CG2-CE1 4.19Å; I81-Y466 HydrophobicContact CG2-CG 4.04Å |
| 82 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -65.8 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S43 D78 L79 I80 N87 | S43-G82 PolarHBondContact OG-O 3.21Å; D78-G82 PolarHBondContact O-N 3.09Å; L79-G82 PolarHBondContact O-N 2.9Å; I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 3.35Å; G82-N87 PolarHBondContact O-ND2 2.89Å; G82-N87 VanDerWaalsContact O-ND2 3.08Å |
| 83 | L | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 23.7 Ų | 23.7 | 46% | 0.461 | 13% | 0.128 | S | C | . | . | I | π-helix | trans | -78.8 | -46.5 | -179.5 | -74.3 | 169.6 | 0 | 0 | 0 | 113.3 | I47 L79 I80 N87 | I47-L83 HydrophobicContact CD1-CD2 3.73Å; I47-L83 HydrophobicContact CD1-CG 4.34Å; I47-L83 HydrophobicContact CG1-CD2 3.9Å; I47-L83 HydrophobicContact CG1-CG 4.08Å; I47-L83 HydrophobicContact CG2-CD2 4.31Å; L79-L83 HydrophobicContact CD1-CD1 3.91Å; L79-L83 HydrophobicContact CD1-CG 4.05Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.44Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.43Å; L79-L83 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.49Å; L83-N87 PolarHBondContact O-ND2 3.15Å |
| 84 | C | 97.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 24.7 Ų | 24.7 | 31% | 0.311 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -102.2 | -65.9 | -171.8 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | I80 M86 N87 L88 L111 | I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 3.09Å; C84-M86 PolarHBondContact O-N 3.14Å; C84-N87 PolarHBondContact O-N 2.67Å; C84-L88 HydrophobicContact CB-CD1 4.41Å; C84-L88 WeakPolarHBondContact O-CB 3.47Å; C84-L88 WeakPolarHBondContact O-CG 3.18Å; C84-L88 PolarHBondContact O-N 3.4Å; C84-L111 HydrophobicContact CB-CD2 3.72Å |
| 85 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -60.4 | -50.7 | -166.4 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | I81 N87 Y89 D112 Y466 | I81-S85 WeakPolarHBondContact O-CB 3.32Å; I81-S85 PolarHBondContact O-N 3.43Å; S85-N87 VanDerWaalsContact C-N 3.31Å; S85-N87 PolarHBondContact O-N 2.94Å; S85-Y89 VanDerWaalsContact O-CB 3.24Å; S85-Y89 WeakPolarHBondContact O-CB 3.33Å; S85-Y89 PolarHBondContact O-N 3.44Å; S85-D112 WeakPolarHBondContact CB-OD1 3.49Å; S85-D112 PolarHBondContact OG-OD1 2.86Å; S85-Y466 WeakPolarHBondContact CB-OH 3.47Å |
| 86 | M | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.2 | -44 | 177.6 | -75.5 | -176.1 | 176.9 | 0 | 0 | 112.2 | T46 I81 C84 T90 W463 Y466 | T46-M86 HydrophobicContact CG2-CE 4.14Å; T46-M86 WeakPolarHBondContact OG1-CE 3.48Å; I81-M86 HydrophobicContact CG2-CE 4.42Å; I81-M86 HydrophobicContact CG2-CG 4.36Å; I81-M86 WeakPolarHBondContact O-CG 3.44Å; I81-M86 PolarHBondContact O-N 3.38Å; C84-M86 PolarHBondContact O-N 3.14Å; M86-T90 PolarHBondContact O-N 2.89Å; M86-T90 PolarHBondContact O-OG1 2.86Å; M86-W463 HydrophobicContact CB-CH2 3.72Å; M86-W463 HydrophobicContact CB-CZ3 3.99Å; M86-W463 HydrophobicContact CG-CH2 4Å; M86-W463 HydrophobicContact CG-CZ3 3.72Å; M86-W463 WeakPolarHBondContact O-CH2 3.5Å; M86-W463 WeakPolarHBondContact O-CZ2 3.3Å; M86-W463 HydrophobicContact SD-CZ3 4.2Å; M86-Y466 HydrophobicContact CB-CD2 4.49Å; M86-Y466 VanDerWaalsContact CE-O 3.22Å; M86-Y466 WeakPolarHBondContact CE-O 3.41Å; M86-Y466 HydrophobicContact CG-CD2 3.82Å; M86-Y466 HydrophobicContact CG-CE2 4.5Å; M86-Y466 HydrophobicContact CG-CG 4.11Å |
| 87 | N | 97.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -76.7 | -43.3 | -174.4 | -59.3 | -51.7 | 0 | 0 | 0 | 111.6 | S43 G82 L83 C84 S85 Y89 T90 V91 | S43-N87 WeakPolarHBondContact CB-OD1 3.41Å; S43-N87 PolarHBondContact OG-ND2 3.45Å; S43-N87 VanDerWaalsContact OG-ND2 3.15Å; S43-N87 PolarHBondContact OG-OD1 3.31Å; G82-N87 PolarHBondContact O-ND2 2.89Å; G82-N87 VanDerWaalsContact O-ND2 3.08Å; L83-N87 PolarHBondContact O-ND2 3.15Å; C84-N87 PolarHBondContact O-N 2.67Å; S85-N87 VanDerWaalsContact C-N 3.31Å; S85-N87 PolarHBondContact O-N 2.94Å; N87-Y89 VanDerWaalsContact C-N 3.33Å; N87-Y89 PolarHBondContact O-N 3.01Å; N87-T90 WeakPolarHBondContact O-CB 3.34Å; N87-T90 PolarHBondContact O-N 3.49Å; N87-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 PolarHBondContact O-N 3.5Å |
| 88 | L | 97.7 | Very high | 96 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 175.7 | -68.3 | 169.2 | 0 | 0 | 0 | 112 | C84 V91 Y92 W98 L100 W108 | C84-L88 HydrophobicContact CB-CD1 4.41Å; C84-L88 WeakPolarHBondContact O-CB 3.47Å; C84-L88 WeakPolarHBondContact O-CG 3.18Å; C84-L88 PolarHBondContact O-N 3.4Å; L88-V91 PolarHBondContact O-N 3.19Å; L88-Y92 PolarHBondContact O-N 2.97Å; L88-Y92 VanDerWaalsContact O-N 3.13Å; L88-W98 HydrophobicContact CB-CH2 4.42Å; L88-W98 HydrophobicContact CD2-CH2 4.47Å; L88-L100 HydrophobicContact CD2-CD1 3.6Å; L88-W108 HydrophobicContact CB-CD2 4.4Å; L88-W108 HydrophobicContact CB-CG 4.23Å; L88-W108 HydrophobicContact CD1-CB 4.01Å; L88-W108 HydrophobicContact CD1-CG 3.87Å |
| 89 | Y | 97.5 | Very high | 95.9 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.3 | -34.5 | 174.9 | -164.2 | -131.2 | 0 | 0 | 0 | 112.5 | S85 N87 V91 Y92 I93 W108 T459 Y462 W463 Y466 | S85-Y89 VanDerWaalsContact O-CB 3.24Å; S85-Y89 WeakPolarHBondContact O-CB 3.33Å; S85-Y89 PolarHBondContact O-N 3.44Å; N87-Y89 VanDerWaalsContact C-N 3.33Å; N87-Y89 PolarHBondContact O-N 3.01Å; Y89-V91 VanDerWaalsContact C-N 3.33Å; Y89-V91 PolarHBondContact O-N 3Å; Y89-Y92 HydrophobicContact CD2-CD1 4.16Å; Y89-Y92 HydrophobicContact CE2-CD1 4.04Å; Y89-Y92 PolarHBondContact O-N 3.38Å; Y89-I93 HydrophobicContact CD1-CD1 3.7Å; Y89-I93 HydrophobicContact CD2-CD1 4.43Å; Y89-I93 HydrophobicContact CE1-CD1 3.67Å; Y89-I93 HydrophobicContact CE1-CG1 4.5Å; Y89-I93 HydrophobicContact CE2-CD1 4.42Å; Y89-I93 HydrophobicContact CE2-CG1 4.46Å; Y89-I93 HydrophobicContact CG-CD1 4.09Å; Y89-I93 VanDerWaalsContact O-CD1 3.28Å; Y89-I93 WeakPolarHBondContact O-CD1 3.28Å; Y89-I93 VanDerWaalsContact O-CG1 3.25Å; Y89-I93 WeakPolarHBondContact O-CG1 3.29Å; Y89-I93 PolarHBondContact O-N 3.5Å; Y89-I93 VanDerWaalsContact O-N 3.09Å; Y89-W108 AromaticContact CD2-CH2 3.65Å; Y89-W108 HydrophobicContact CD2-CH2 3.65Å; Y89-W108 AromaticContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CE2-CH2 4.32Å; Y89-W108 HydrophobicContact CG-CZ2 4.22Å; Y89-T459 HydrophobicContact CE1-CG2 4.47Å; Y89-T459 WeakPolarHBondContact OH-CA 3.48Å; Y89-Y462 HydrophobicContact CD1-CD1 4.23Å; Y89-Y462 AromaticContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CG 4Å; Y89-Y462 AromaticContact CZ-CG 3.94Å; Y89-Y462 WeakPolarHBondContact OH-CB 3.48Å; Y89-W463 AromaticContact CD1-CD1 3.76Å; Y89-W463 AromaticContact CD1-CE2 3.91Å; Y89-W463 HydrophobicContact CD1-CG 4.42Å; Y89-W463 HydrophobicContact CD1-CZ2 4.44Å; Y89-W463 AromaticContact CD1-NE1 3.4Å; Y89-W463 AromaticContact CE1-CD1 3.59Å; Y89-W463 HydrophobicContact CE1-CG 4.39Å; Y89-W463 AromaticContact CE1-NE1 3.69Å; Y89-Y466 HydrophobicContact CD1-CD2 4.41Å; Y89-Y466 AromaticContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CG-CE2 4.06Å |
| 90 | T | 96.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 170.8 | -53.1 | 0 | 0 | 0 | 0 | 111 | A39 M86 N87 Y92 I93 V94 W463 | A39-T90 HydrophobicContact CB-CG2 3.92Å; A39-T90 WeakPolarHBondContact CB-OG1 3.44Å; M86-T90 PolarHBondContact O-N 2.89Å; M86-T90 PolarHBondContact O-OG1 2.86Å; N87-T90 WeakPolarHBondContact O-CB 3.34Å; N87-T90 PolarHBondContact O-N 3.49Å; T90-Y92 PolarHBondContact O-N 3.41Å; T90-I93 PolarHBondContact O-N 3.15Å; T90-V94 HydrophobicContact CG2-CG2 4.11Å; T90-V94 WeakPolarHBondContact O-CB 3.45Å; T90-V94 WeakPolarHBondContact O-CG2 3.39Å; T90-V94 PolarHBondContact O-N 3.02Å; T90-W463 VanDerWaalsContact OG1-CZ2 3.28Å; T90-W463 WeakPolarHBondContact OG1-CZ2 3.49Å |
| 91 | V | 95.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 36.7 Ų | 36.7 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 178.5 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | N87 L88 Y89 I93 V94 I95 P99 | N87-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 PolarHBondContact O-N 3.5Å; L88-V91 PolarHBondContact O-N 3.19Å; Y89-V91 VanDerWaalsContact C-N 3.33Å; Y89-V91 PolarHBondContact O-N 3Å; V91-I93 PolarHBondContact O-N 2.92Å; V91-V94 PolarHBondContact O-N 3.32Å; V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 WeakPolarHBondContact O-CB 3.23Å; V91-I95 WeakPolarHBondContact O-CG1 3.19Å; V91-I95 PolarHBondContact O-N 2.96Å; V91-P99 HydrophobicContact CG1-CG 4.11Å |
| 92 | Y | 95.2 | Very high | 95.5 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 21% | 0.212 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 177.9 | -176.5 | -127.9 | 0 | 0 | 0 | 113.1 | L88 Y89 T90 G96 W98 | L88-Y92 PolarHBondContact O-N 2.97Å; L88-Y92 VanDerWaalsContact O-N 3.13Å; Y89-Y92 HydrophobicContact CD2-CD1 4.16Å; Y89-Y92 HydrophobicContact CE2-CD1 4.04Å; Y89-Y92 PolarHBondContact O-N 3.38Å; T90-Y92 PolarHBondContact O-N 3.41Å; Y92-G96 PolarHBondContact O-N 3.23Å; Y92-W98 HydrophobicContact CD2-CB 3.88Å; Y92-W98 HydrophobicContact CD2-CE3 4.01Å; Y92-W98 HydrophobicContact CE2-CB 3.92Å; Y92-W98 HydrophobicContact CG-CE3 4.24Å |
| 93 | I | 93.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -44.5 | -179.1 | -64.9 | 157.9 | 0 | 0 | 0 | 111.7 | Y27 Y89 T90 V91 G96 T459 | Y27-I93 HydrophobicContact CE2-CG2 3.61Å; Y89-I93 HydrophobicContact CD1-CD1 3.7Å; Y89-I93 HydrophobicContact CD2-CD1 4.43Å; Y89-I93 HydrophobicContact CE1-CD1 3.67Å; Y89-I93 HydrophobicContact CE1-CG1 4.5Å; Y89-I93 HydrophobicContact CE2-CD1 4.42Å; Y89-I93 HydrophobicContact CE2-CG1 4.46Å; Y89-I93 HydrophobicContact CG-CD1 4.09Å; Y89-I93 VanDerWaalsContact O-CD1 3.28Å; Y89-I93 WeakPolarHBondContact O-CD1 3.28Å; Y89-I93 VanDerWaalsContact O-CG1 3.25Å; Y89-I93 WeakPolarHBondContact O-CG1 3.29Å; Y89-I93 PolarHBondContact O-N 3.5Å; Y89-I93 VanDerWaalsContact O-N 3.09Å; T90-I93 PolarHBondContact O-N 3.15Å; V91-I93 PolarHBondContact O-N 2.92Å; I93-G96 PolarHBondContact O-N 2.98Å; I93-T459 HydrophobicContact CD1-CG2 3.44Å; I93-T459 VanDerWaalsContact CD1-CG2 3.44Å; I93-T459 HydrophobicContact CG1-CG2 3.79Å; I93-T459 HydrophobicContact CG2-CG2 4.29Å |
| 94 | V | 92.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 43 Ų | 43 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.4 | -37.3 | -174.6 | 166.1 | 0 | 0 | 0 | 0 | 111.8 | S25 V32 I35 V36 T90 V91 | S25-V94 WeakPolarHBondContact CB-O 3.31Å; S25-V94 PolarHBondContact OG-O 3Å; V32-V94 HydrophobicContact CG1-CG1 3.67Å; I35-V94 HydrophobicContact CG2-CG2 3.93Å; V36-V94 HydrophobicContact CG2-CG1 4.37Å; V36-V94 HydrophobicContact CG2-CG2 3.75Å; T90-V94 HydrophobicContact CG2-CG2 4.11Å; T90-V94 WeakPolarHBondContact O-CB 3.45Å; T90-V94 WeakPolarHBondContact O-CG2 3.39Å; T90-V94 PolarHBondContact O-N 3.02Å; V91-V94 PolarHBondContact O-N 3.32Å |
| 95 | I | 91.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -81.9 | -21.1 | 177.7 | -66.2 | 176.1 | 0 | 0 | 0 | 111.3 | V91 Y97 P99 | V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 WeakPolarHBondContact O-CB 3.23Å; V91-I95 WeakPolarHBondContact O-CG1 3.19Å; V91-I95 PolarHBondContact O-N 2.96Å; I95-Y97 HydrophobicContact CG2-CD1 3.5Å; I95-Y97 HydrophobicContact CG2-CD2 4.24Å; I95-Y97 HydrophobicContact CG2-CE1 3.31Å; I95-Y97 HydrophobicContact CG2-CE2 4.07Å; I95-Y97 HydrophobicContact CG2-CG 3.96Å; I95-Y97 WeakPolarHBondContact O-CD1 3.13Å; I95-Y97 PolarHBondContact O-N 3.19Å; I95-P99 HydrophobicContact CD1-CG 3.9Å |
| 96 | G | 90.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 76.2 | -3.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y92 I93 | Y92-G96 PolarHBondContact O-N 3.23Å; I93-G96 PolarHBondContact O-N 2.98Å |
| 97 | Y | 92.4 | Very high | 95.4 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -148.8 | 170.3 | 174 | 71.7 | -93 | 0 | 0 | 0 | 110.1 | I95 P99 K183 | I95-Y97 HydrophobicContact CG2-CD1 3.5Å; I95-Y97 HydrophobicContact CG2-CD2 4.24Å; I95-Y97 HydrophobicContact CG2-CE1 3.31Å; I95-Y97 HydrophobicContact CG2-CE2 4.07Å; I95-Y97 HydrophobicContact CG2-CG 3.96Å; I95-Y97 WeakPolarHBondContact O-CD1 3.13Å; I95-Y97 PolarHBondContact O-N 3.19Å; Y97-P99 HydrophobicContact CE2-CB 3.98Å; Y97-P99 WeakPolarHBondContact O-CD 3.23Å; Y97-K183 WeakPolarHBondContact CA-O 3.47Å; Y97-K183 WeakPolarHBondContact CB-O 3.46Å; Y97-K183 HydrophobicContact CD2-CB 4.46Å; Y97-K183 HydrophobicContact CD2-CG 4.37Å |
| 98 | W | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | trans | -93.1 | 112.4 | 179.2 | -176.7 | -98 | 0 | 0 | 0 | 111.8 | L88 Y92 L100 G101 V104 C105 W108 K183 C185 | L88-W98 HydrophobicContact CB-CH2 4.42Å; L88-W98 HydrophobicContact CD2-CH2 4.47Å; Y92-W98 HydrophobicContact CD2-CB 3.88Å; Y92-W98 HydrophobicContact CD2-CE3 4.01Å; Y92-W98 HydrophobicContact CE2-CB 3.92Å; Y92-W98 HydrophobicContact CG-CE3 4.24Å; W98-L100 HydrophobicContact CH2-CD1 4.06Å; W98-L100 HydrophobicContact CZ2-CB 3.79Å; W98-L100 HydrophobicContact CZ2-CD1 3.95Å; W98-L100 HydrophobicContact CZ2-CG 4.25Å; W98-G101 PolarHBondContact NE1-O 3.02Å; W98-V104 HydrophobicContact CZ2-CB 4.2Å; W98-V104 HydrophobicContact CZ2-CG1 4.06Å; W98-C105 HydrophobicContact CD2-CB 4.43Å; W98-C105 HydrophobicContact CZ2-CB 4.14Å; W98-W108 HydrophobicContact CE3-CE3 4.17Å; W98-W108 HydrophobicContact CE3-CZ3 4.17Å; W98-W108 HydrophobicContact CH2-CB 4.18Å; W98-W108 AromaticContact CH2-CD2 3.94Å; W98-W108 HydrophobicContact CH2-CD2 3.94Å; W98-W108 AromaticContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CE3 3.47Å; W98-W108 VanDerWaalsContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CG 4.23Å; W98-W108 HydrophobicContact CH2-CZ3 4.25Å; W98-W108 HydrophobicContact CZ2-CE3 4.34Å; W98-W108 HydrophobicContact CZ3-CD2 4.08Å; W98-W108 AromaticContact CZ3-CE3 3.38Å; W98-W108 HydrophobicContact CZ3-CE3 3.38Å; W98-W108 AromaticContact CZ3-CZ3 3.68Å; W98-W108 HydrophobicContact CZ3-CZ3 3.68Å; W98-K183 PolarHBondContact N-O 3.2Å; W98-C185 HydrophobicContact CB-CB 3.99Å; W98-C185 HydrophobicContact CD2-CB 3.77Å; W98-C185 HydrophobicContact CE3-CB 3.93Å; W98-C185 HydrophobicContact CG-CB 3.78Å | ||
| 99 | P | 95.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | trans | -95 | -9.3 | -175.3 | 37.7 | -37.8 | 0 | 0 | 0 | 114.2 | V91 I95 Y97 G101 | V91-P99 HydrophobicContact CG1-CG 4.11Å; I95-P99 HydrophobicContact CD1-CG 3.9Å; Y97-P99 HydrophobicContact CE2-CB 3.98Å; Y97-P99 WeakPolarHBondContact O-CD 3.23Å; P99-G101 VanDerWaalsContact C-N 3.32Å; P99-G101 PolarHBondContact O-N 2.87Å | ||
| 100 | L | 95.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 42 Ų | 42 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -90.3 | 7.8 | -169.3 | -53.3 | 178.1 | 0 | 0 | 0 | 113.8 | L88 W98 V104 | L88-L100 HydrophobicContact CD2-CD1 3.6Å; W98-L100 HydrophobicContact CH2-CD1 4.06Å; W98-L100 HydrophobicContact CZ2-CB 3.79Å; W98-L100 HydrophobicContact CZ2-CD1 3.95Å; W98-L100 HydrophobicContact CZ2-CG 4.25Å; L100-V104 HydrophobicContact CB-CB 3.81Å; L100-V104 HydrophobicContact CB-CG1 3.92Å; L100-V104 HydrophobicContact CB-CG2 4.26Å; L100-V104 HydrophobicContact CD1-CG1 4.01Å; L100-V104 WeakPolarHBondContact O-CB 3.43Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å |
| 101 | G | 95.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | 72 | 169.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W98 P99 V103 V104 C105 | W98-G101 PolarHBondContact NE1-O 3.02Å; P99-G101 VanDerWaalsContact C-N 3.32Å; P99-G101 PolarHBondContact O-N 2.87Å; G101-V103 PolarHBondContact O-N 3.14Å; G101-V104 PolarHBondContact O-N 3.19Å; G101-C105 PolarHBondContact O-N 3.11Å; G101-C105 VanDerWaalsContact O-N 3.16Å |
| 102 | P | 95.5 | Very high | 95.8 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 41% | 0.409 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.2 | -36.1 | -169.5 | 24.5 | -34.1 | 0 | 0 | 0 | 113.3 | V104 C105 D106 | P102-V104 PolarHBondContact O-N 2.96Å; P102-C105 WeakPolarHBondContact O-CB 3.23Å; P102-C105 PolarHBondContact O-N 2.99Å; P102-D106 PolarHBondContact O-N 3.14Å |
| 103 | V | 95.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 40.7 Ų | 40.7 | 62% | 0.618 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.5 | -42 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | G101 L107 | G101-V103 PolarHBondContact O-N 3.14Å; V103-L107 HydrophobicContact CG1-CD1 3.99Å; V103-L107 WeakPolarHBondContact O-CB 3.43Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 3.33Å; V103-L107 VanDerWaalsContact O-N 3.09Å |
| 104 | V | 97.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 40.6 Ų | 40.6 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.6 | -31.4 | 178.6 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | W98 L100 G101 P102 W108 | W98-V104 HydrophobicContact CZ2-CB 4.2Å; W98-V104 HydrophobicContact CZ2-CG1 4.06Å; L100-V104 HydrophobicContact CB-CB 3.81Å; L100-V104 HydrophobicContact CB-CG1 3.92Å; L100-V104 HydrophobicContact CB-CG2 4.26Å; L100-V104 HydrophobicContact CD1-CG1 4.01Å; L100-V104 WeakPolarHBondContact O-CB 3.43Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; G101-V104 PolarHBondContact O-N 3.19Å; P102-V104 PolarHBondContact O-N 2.96Å; V104-W108 VanDerWaalsContact O-CB 3.24Å; V104-W108 WeakPolarHBondContact O-CB 3.27Å; V104-W108 PolarHBondContact O-N 3.01Å |
| 105 | C | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -55.5 | 170.8 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | W98 G101 P102 L107 W108 L109 C185 | W98-C105 HydrophobicContact CD2-CB 4.43Å; W98-C105 HydrophobicContact CZ2-CB 4.14Å; G101-C105 PolarHBondContact O-N 3.11Å; G101-C105 VanDerWaalsContact O-N 3.16Å; P102-C105 WeakPolarHBondContact O-CB 3.23Å; P102-C105 PolarHBondContact O-N 2.99Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 2.83Å; C105-W108 PolarHBondContact O-N 3.16Å; C105-W108 VanDerWaalsContact O-N 3.16Å; C105-L109 WeakPolarHBondContact O-CG 2.96Å; C105-L109 PolarHBondContact O-N 3.19Å; C105-C185 WeakPolarHBondContact CA-SG 3.39Å; C105-C185 HydrophobicContact CB-CB 3.87Å; C105-C185 WeakPolarHBondContact CB-SG 3.46Å; C105-C185 WeakPolarHBondContact SG-CA 3.32Å; C105-C185 WeakPolarHBondContact SG-CB 3.42Å; C105-C185 CovalentContact SG-SG 2.03Å; C105-C185 PolarHBondContact SG-SG 3.38Å |
| 106 | D | 97.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | -175 | -60.8 | -6.1 | 0 | 0 | 0 | 111.6 | P102 A110 L169 Q172 R178 | P102-D106 PolarHBondContact O-N 3.14Å; D106-A110 WeakPolarHBondContact O-CB 3.32Å; D106-A110 PolarHBondContact O-N 3.46Å; D106-L169 HydrophobicContact CB-CD2 3.91Å; D106-Q172 PolarHBondContact OD2-NE2 2.96Å; D106-R178 IonicContact OD1-CZ 2.67Å; D106-R178 VanDerWaalsContact OD1-CZ 3.28Å; D106-R178 IonicContact OD1-NH1 2.93Å; D106-R178 PolarHBondContact OD1-NH1 3.22Å; D106-R178 IonicContact OD1-NH2 3.28Å; D106-R178 PolarHBondContact OD1-NH2 3.39Å; D106-R178 IonicContact OD2-CZ 2.77Å; D106-R178 IonicContact OD2-NH1 2.68Å; D106-R178 PolarHBondContact OD2-NH1 3.25Å; D106-R178 IonicContact OD2-NH2 3.82Å |
| 107 | L | 97.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 36.2 Ų | 36.2 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 173.6 | -72.2 | 173 | 0 | 0 | 0 | 112.9 | V103 C105 L111 L169 | V103-L107 HydrophobicContact CG1-CD1 3.99Å; V103-L107 WeakPolarHBondContact O-CB 3.43Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 3.33Å; V103-L107 VanDerWaalsContact O-N 3.09Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 2.83Å; L107-L111 VanDerWaalsContact O-CB 3.25Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 2.97Å; L107-L169 HydrophobicContact CD2-CD2 4.34Å |
| 108 | W | 98.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 4% | 0.038 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -50.7 | 174.7 | 165.4 | 46.8 | 0 | 0 | 0 | 110.9 | L88 Y89 W98 V104 C105 A110 L111 D112 C185 | L88-W108 HydrophobicContact CB-CD2 4.4Å; L88-W108 HydrophobicContact CB-CG 4.23Å; L88-W108 HydrophobicContact CD1-CB 4.01Å; L88-W108 HydrophobicContact CD1-CG 3.87Å; Y89-W108 AromaticContact CD2-CH2 3.65Å; Y89-W108 HydrophobicContact CD2-CH2 3.65Å; Y89-W108 AromaticContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CE2-CH2 4.32Å; Y89-W108 HydrophobicContact CG-CZ2 4.22Å; W98-W108 HydrophobicContact CE3-CE3 4.17Å; W98-W108 HydrophobicContact CE3-CZ3 4.17Å; W98-W108 HydrophobicContact CH2-CB 4.18Å; W98-W108 AromaticContact CH2-CD2 3.94Å; W98-W108 HydrophobicContact CH2-CD2 3.94Å; W98-W108 AromaticContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CE3 3.47Å; W98-W108 VanDerWaalsContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CG 4.23Å; W98-W108 HydrophobicContact CH2-CZ3 4.25Å; W98-W108 HydrophobicContact CZ2-CE3 4.34Å; W98-W108 HydrophobicContact CZ3-CD2 4.08Å; W98-W108 AromaticContact CZ3-CE3 3.38Å; W98-W108 HydrophobicContact CZ3-CE3 3.38Å; W98-W108 AromaticContact CZ3-CZ3 3.68Å; W98-W108 HydrophobicContact CZ3-CZ3 3.68Å; V104-W108 VanDerWaalsContact O-CB 3.24Å; V104-W108 WeakPolarHBondContact O-CB 3.27Å; V104-W108 PolarHBondContact O-N 3.01Å; C105-W108 PolarHBondContact O-N 3.16Å; C105-W108 VanDerWaalsContact O-N 3.16Å; W108-A110 VanDerWaalsContact C-N 3.35Å; W108-A110 PolarHBondContact O-N 2.81Å; W108-L111 PolarHBondContact O-N 3.31Å; W108-D112 WeakPolarHBondContact O-CB 3.31Å; W108-D112 PolarHBondContact O-N 2.92Å; W108-C185 VanDerWaalsContact CE3-SG 3.51Å; W108-C185 HydrophobicContact CZ3-CB 4.12Å; W108-C185 VanDerWaalsContact CZ3-SG 3.52Å |
| 109 | L | 98.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 178.3 | -67.5 | 172.7 | 0 | 0 | 0 | 111.4 | C105 L111 D112 Y113 I168 Y186 I187 | C105-L109 WeakPolarHBondContact O-CG 2.96Å; C105-L109 PolarHBondContact O-N 3.19Å; L109-L111 PolarHBondContact O-N 3.15Å; L109-D112 PolarHBondContact O-N 3.49Å; L109-Y113 WeakPolarHBondContact O-CB 3.45Å; L109-Y113 WeakPolarHBondContact O-CD2 3.48Å; L109-Y113 PolarHBondContact O-N 2.76Å; L109-I168 HydrophobicContact CB-CG2 3.83Å; L109-Y186 VanDerWaalsContact CD1-C 3.49Å; L109-I187 HydrophobicContact CB-CG1 4.24Å; L109-I187 HydrophobicContact CD1-CG1 3.99Å; L109-I187 HydrophobicContact CD2-CG1 4.29Å; L109-I187 HydrophobicContact CG-CG1 4.41Å |
| 110 | A | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D106 W108 V114 A165 I168 L169 | D106-A110 WeakPolarHBondContact O-CB 3.32Å; D106-A110 PolarHBondContact O-N 3.46Å; W108-A110 VanDerWaalsContact C-N 3.35Å; W108-A110 PolarHBondContact O-N 2.81Å; A110-V114 VanDerWaalsContact O-CB 3.23Å; A110-V114 WeakPolarHBondContact O-CB 3.33Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 3.14Å; A110-V114 VanDerWaalsContact O-N 3.07Å; A110-A165 HydrophobicContact CB-CB 4.4Å; A110-I168 HydrophobicContact CB-CB 4.34Å; A110-I168 HydrophobicContact CB-CG2 4.13Å; A110-L169 HydrophobicContact CB-CD2 3.95Å; A110-L169 HydrophobicContact CB-CG 4.09Å |
| 111 | L | 98.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 27.6 Ų | 27.6 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.2 | -48.7 | 176.1 | 176.5 | 130.8 | 0 | 0 | 0 | 111.7 | I80 C84 L107 W108 L109 Y113 V114 V115 | I80-L111 HydrophobicContact CG2-CD1 4.07Å; I80-L111 HydrophobicContact CG2-CD2 3.83Å; I80-L111 HydrophobicContact CG2-CG 4.1Å; C84-L111 HydrophobicContact CB-CD2 3.72Å; L107-L111 VanDerWaalsContact O-CB 3.25Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 2.97Å; W108-L111 PolarHBondContact O-N 3.31Å; L109-L111 PolarHBondContact O-N 3.15Å; L111-Y113 PolarHBondContact O-N 3.32Å; L111-V114 PolarHBondContact O-N 3.3Å; L111-V115 HydrophobicContact CG-CG2 4.31Å; L111-V115 VanDerWaalsContact O-CB 3.27Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 WeakPolarHBondContact O-CG2 3.32Å; L111-V115 PolarHBondContact O-N 3.17Å |
| 112 | D | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | -174.1 | -161.5 | 32.4 | 0 | 0 | 0 | 111.9 | I81 S85 W108 L109 S116 Y462 Y466 | I81-D112 VanDerWaalsContact CD1-OD1 3.26Å; I81-D112 WeakPolarHBondContact CD1-OD1 3.25Å; S85-D112 WeakPolarHBondContact CB-OD1 3.49Å; S85-D112 PolarHBondContact OG-OD1 2.86Å; W108-D112 WeakPolarHBondContact O-CB 3.31Å; W108-D112 PolarHBondContact O-N 2.92Å; L109-D112 PolarHBondContact O-N 3.49Å; D112-S116 WeakPolarHBondContact O-CB 3.39Å; D112-S116 PolarHBondContact O-N 3.32Å; D112-S116 PolarHBondContact O-OG 3.46Å; D112-Y462 WeakPolarHBondContact OD2-CE1 3.12Å; D112-Y462 PolarHBondContact OD2-OH 3.17Å; D112-Y466 WeakPolarHBondContact OD1-CE1 3.45Å; D112-Y466 WeakPolarHBondContact OD2-CE1 3.28Å; D112-Y466 PolarHBondContact OD2-OH 3.43Å |
| 113 | Y | 98.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 13% | 0.129 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73 | -39.1 | 179 | -81.2 | -104.2 | 0 | 0 | 0 | 112.8 | L109 L111 N117 W164 I168 I187 F190 Y462 | L109-Y113 WeakPolarHBondContact O-CB 3.45Å; L109-Y113 WeakPolarHBondContact O-CD2 3.48Å; L109-Y113 PolarHBondContact O-N 2.76Å; L111-Y113 PolarHBondContact O-N 3.32Å; Y113-N117 WeakPolarHBondContact O-CB 3.5Å; Y113-N117 PolarHBondContact O-N 2.93Å; Y113-W164 HydrophobicContact CD1-CD2 4.25Å; Y113-W164 AromaticContact CD1-CE3 3.78Å; Y113-W164 HydrophobicContact CD1-CE3 3.78Å; Y113-W164 AromaticContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CZ2 4.37Å; Y113-W164 AromaticContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CE1-CH2 4.35Å; Y113-W164 HydrophobicContact CE1-CZ3 4.16Å; Y113-W164 HydrophobicContact CG-CE3 4.23Å; Y113-W164 HydrophobicContact CG-CZ3 4.46Å; Y113-I168 HydrophobicContact CD2-CD1 4.38Å; Y113-I168 HydrophobicContact CG-CD1 4.1Å; Y113-I187 HydrophobicContact CD1-CD1 4.03Å; Y113-I187 HydrophobicContact CD2-CD1 3.68Å; Y113-I187 HydrophobicContact CE1-CD1 3.86Å; Y113-I187 HydrophobicContact CE2-CD1 3.48Å; Y113-I187 VanDerWaalsContact CE2-CD1 3.48Å; Y113-I187 HydrophobicContact CE2-CG1 4.48Å; Y113-I187 HydrophobicContact CG-CD1 3.95Å; Y113-F190 AromaticContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CZ 4.22Å; Y113-F190 AromaticContact CZ-CE2 3.99Å; Y113-Y462 VanDerWaalsContact CE2-OH 3.29Å; Y113-Y462 WeakPolarHBondContact CE2-OH 3.24Å |
| 114 | V | 98.5 | Very high | 97.1 | Very high | 12 Ų | 12 | 19.4 Ų | 19.4 | 7% | 0.073 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 175.1 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | A110 L111 A118 S160 F161 W164 A165 | A110-V114 VanDerWaalsContact O-CB 3.23Å; A110-V114 WeakPolarHBondContact O-CB 3.33Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 3.14Å; A110-V114 VanDerWaalsContact O-N 3.07Å; L111-V114 PolarHBondContact O-N 3.3Å; V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 2.64Å; V114-S160 WeakPolarHBondContact O-CB 3.39Å; V114-F161 HydrophobicContact CG1-CB 4.19Å; V114-F161 HydrophobicContact CG1-CD2 4.44Å; V114-F161 HydrophobicContact CG2-CD2 4.48Å; V114-W164 HydrophobicContact CG2-CB 3.75Å; V114-A165 HydrophobicContact CG2-CB 4.04Å |
| 115 | V | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 4% | 0.036 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 180 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | A77 I80 I81 L111 A118 S119 W157 | A77-V115 HydrophobicContact CB-CG1 3.74Å; A77-V115 VanDerWaalsContact O-CG1 3.29Å; A77-V115 WeakPolarHBondContact O-CG1 3.13Å; I80-V115 HydrophobicContact CB-CG1 4.19Å; I80-V115 HydrophobicContact CB-CG2 4.28Å; I80-V115 HydrophobicContact CD1-CG2 4.33Å; I80-V115 HydrophobicContact CG2-CG1 4.37Å; I80-V115 HydrophobicContact CG2-CG2 3.77Å; I81-V115 HydrophobicContact CD1-CB 4.11Å; I81-V115 HydrophobicContact CD1-CG1 3.66Å; I81-V115 HydrophobicContact CG1-CG1 3.77Å; L111-V115 HydrophobicContact CG-CG2 4.31Å; L111-V115 VanDerWaalsContact O-CB 3.27Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 WeakPolarHBondContact O-CG2 3.32Å; L111-V115 PolarHBondContact O-N 3.17Å; V115-A118 WeakPolarHBondContact O-CB 3.47Å; V115-A118 PolarHBondContact O-N 2.85Å; V115-S119 PolarHBondContact O-N 2.89Å; V115-W157 HydrophobicContact CG2-CH2 4.41Å; V115-W157 HydrophobicContact CG2-CZ3 4.08Å |
| 116 | S | 97.3 | Very high | 96.7 | Very high | 24 Ų | 24 | 18.2 Ų | 18.2 | 17% | 0.168 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 176.7 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | D112 A118 S119 V120 | D112-S116 WeakPolarHBondContact O-CB 3.39Å; D112-S116 PolarHBondContact O-N 3.32Å; D112-S116 PolarHBondContact O-OG 3.46Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.07Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.48Å; S116-S119 VanDerWaalsContact O-N 3.17Å; S116-V120 PolarHBondContact O-N 2.87Å; S116-V120 VanDerWaalsContact O-N 3.1Å |
| 117 | N | 97.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 5% | 0.048 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 175.9 | -169.4 | 95.6 | 0 | 0 | 0 | 111.8 | Y113 S119 V120 M121 S160 W164 | Y113-N117 WeakPolarHBondContact O-CB 3.5Å; Y113-N117 PolarHBondContact O-N 2.93Å; N117-S119 VanDerWaalsContact C-N 3.31Å; N117-S119 PolarHBondContact O-N 3.42Å; N117-V120 PolarHBondContact O-N 3.43Å; N117-M121 WeakPolarHBondContact O-CG 3.36Å; N117-M121 PolarHBondContact O-N 2.94Å; N117-S160 WeakPolarHBondContact ND2-CB 3.39Å; N117-S160 PolarHBondContact ND2-OG 3.41Å; N117-W164 PolarHBondContact OD1-NE1 3.46Å |
| 118 | A | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V114 V115 S116 M121 N122 W157 S160 | V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 2.64Å; V115-A118 WeakPolarHBondContact O-CB 3.47Å; V115-A118 PolarHBondContact O-N 2.85Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.07Å; A118-M121 PolarHBondContact O-N 3.35Å; A118-N122 WeakPolarHBondContact O-CB 3.44Å; A118-N122 PolarHBondContact O-N 2.94Å; A118-N122 PolarHBondContact O-ND2 3.06Å; A118-W157 HydrophobicContact CB-CD2 3.87Å; A118-W157 HydrophobicContact CB-CE3 3.87Å; A118-W157 HydrophobicContact CB-CG 4.41Å; A118-W157 HydrophobicContact CB-CH2 4.38Å; A118-W157 HydrophobicContact CB-CZ2 4.38Å; A118-W157 HydrophobicContact CB-CZ3 4.13Å; A118-S160 VanDerWaalsContact CA-OG 3.31Å; A118-S160 WeakPolarHBondContact CA-OG 3.43Å; A118-S160 PolarHBondContact N-OG 2.82Å; A118-S160 VanDerWaalsContact N-OG 3.17Å |
| 119 | S | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.028 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 172.3 | -76.3 | 0 | 0 | 0 | 0 | 112.8 | L74 A77 V115 S116 N117 M121 N122 L123 | L74-S119 WeakPolarHBondContact CD1-OG 3.45Å; A77-S119 WeakPolarHBondContact CB-OG 3.32Å; V115-S119 PolarHBondContact O-N 2.89Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.48Å; S116-S119 VanDerWaalsContact O-N 3.17Å; N117-S119 VanDerWaalsContact C-N 3.31Å; N117-S119 PolarHBondContact O-N 3.42Å; S119-M121 PolarHBondContact O-N 2.9Å; S119-N122 PolarHBondContact O-N 3.36Å; S119-L123 WeakPolarHBondContact O-CG 3.34Å; S119-L123 PolarHBondContact O-N 3.44Å |
| 120 | V | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | S116 N117 N122 L123 L124 P207 F432 W436 | S116-V120 PolarHBondContact O-N 2.87Å; S116-V120 VanDerWaalsContact O-N 3.1Å; N117-V120 PolarHBondContact O-N 3.43Å; V120-N122 VanDerWaalsContact C-N 3.35Å; V120-N122 PolarHBondContact O-N 3.04Å; V120-L123 PolarHBondContact O-N 3.34Å; V120-L123 VanDerWaalsContact O-N 3.14Å; V120-L124 PolarHBondContact O-N 3.25Å; V120-P207 HydrophobicContact CG1-CB 3.6Å; V120-P207 HydrophobicContact CG1-CG 3.96Å; V120-F432 HydrophobicContact CG1-CZ 4.37Å; V120-F432 HydrophobicContact CG2-CE2 3.93Å; V120-F432 HydrophobicContact CG2-CZ 3.8Å; V120-W436 HydrophobicContact CG2-CE3 4.28Å; V120-W436 HydrophobicContact CG2-CH2 3.59Å; V120-W436 HydrophobicContact CG2-CZ3 3.38Å |
| 121 | M | 95.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 20.5 Ų | 20.5 | 19% | 0.192 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 179 | -65.4 | -61.6 | 157.3 | 0 | 0 | 112.1 | N117 A118 S119 L124 I125 A156 | N117-M121 WeakPolarHBondContact O-CG 3.36Å; N117-M121 PolarHBondContact O-N 2.94Å; A118-M121 PolarHBondContact O-N 3.35Å; S119-M121 PolarHBondContact O-N 2.9Å; M121-L124 HydrophobicContact CE-CD1 4.44Å; M121-L124 PolarHBondContact O-N 3.19Å; M121-L124 HydrophobicContact SD-CD1 3.87Å; M121-I125 WeakPolarHBondContact O-CB 3.44Å; M121-I125 WeakPolarHBondContact O-CD1 3.25Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.43Å; M121-I125 PolarHBondContact O-N 3.43Å; M121-A156 HydrophobicContact CB-CB 3.78Å |
| 122 | N | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 170.5 | -79.2 | -70.6 | 0 | 0 | 0 | 111.8 | S73 L74 A118 S119 V120 I125 I126 | S73-N122 VanDerWaalsContact CB-OD1 3.26Å; S73-N122 WeakPolarHBondContact CB-OD1 3.44Å; S73-N122 VanDerWaalsContact OG-CG 3.27Å; S73-N122 PolarHBondContact OG-ND2 2.84Å; S73-N122 VanDerWaalsContact OG-ND2 3.13Å; S73-N122 PolarHBondContact OG-OD1 3.46Å; L74-N122 HydrophobicContact CB-CB 4.48Å; A118-N122 WeakPolarHBondContact O-CB 3.44Å; A118-N122 PolarHBondContact O-N 2.94Å; A118-N122 PolarHBondContact O-ND2 3.06Å; S119-N122 PolarHBondContact O-N 3.36Å; V120-N122 VanDerWaalsContact C-N 3.35Å; V120-N122 PolarHBondContact O-N 3.04Å; N122-I125 PolarHBondContact O-N 3.01Å; N122-I126 WeakPolarHBondContact O-CB 3.37Å; N122-I126 WeakPolarHBondContact O-CD1 3.5Å; N122-I126 VanDerWaalsContact O-CG1 3.23Å; N122-I126 WeakPolarHBondContact O-CG1 3.5Å; N122-I126 PolarHBondContact O-N 3.22Å |
| 123 | L | 92.4 | Very high | 94 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 176.6 | -69.6 | 175.6 | 0 | 0 | 0 | 112.9 | L74 S119 V120 I126 S127 M211 I428 F432 | L74-L123 HydrophobicContact CD2-CD2 3.76Å; L74-L123 HydrophobicContact CD2-CG 4.38Å; S119-L123 WeakPolarHBondContact O-CG 3.34Å; S119-L123 PolarHBondContact O-N 3.44Å; V120-L123 PolarHBondContact O-N 3.34Å; V120-L123 VanDerWaalsContact O-N 3.14Å; L123-I126 PolarHBondContact O-N 2.97Å; L123-S127 WeakPolarHBondContact O-CB 3.38Å; L123-S127 PolarHBondContact O-N 2.96Å; L123-S127 PolarHBondContact O-OG 3.38Å; L123-M211 HydrophobicContact CB-SD 3.78Å; L123-I428 HydrophobicContact CD2-CG2 3.54Å; L123-F432 HydrophobicContact CD1-CB 3.93Å; L123-F432 HydrophobicContact CD1-CD1 4.18Å; L123-F432 HydrophobicContact CD1-CD2 3.52Å; L123-F432 HydrophobicContact CD1-CE2 4.04Å; L123-F432 HydrophobicContact CD1-CG 3.59Å |
| 124 | L | 94.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 9% | 0.094 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 170 | -83.6 | 169 | 0 | 0 | 0 | 111.5 | V120 M121 I126 S127 F128 P207 I210 M211 | V120-L124 PolarHBondContact O-N 3.25Å; M121-L124 HydrophobicContact CE-CD1 4.44Å; M121-L124 PolarHBondContact O-N 3.19Å; M121-L124 HydrophobicContact SD-CD1 3.87Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 2.71Å; L124-S127 WeakPolarHBondContact O-CA 3.47Å; L124-S127 WeakPolarHBondContact O-CB 3.39Å; L124-S127 PolarHBondContact O-N 3.36Å; L124-F128 HydrophobicContact CD2-CE2 4.34Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.36Å; L124-F128 PolarHBondContact O-N 3.38Å; L124-P207 HydrophobicContact CD1-CB 3.82Å; L124-P207 HydrophobicContact CD1-CG 4.06Å; L124-P207 HydrophobicContact CD2-CB 4.43Å; L124-P207 HydrophobicContact CG-CB 4.22Å; L124-I210 HydrophobicContact CD2-CB 4.03Å; L124-I210 HydrophobicContact CD2-CG2 3.69Å; L124-M211 HydrophobicContact CD2-CG 3.72Å; L124-M211 HydrophobicContact CD2-SD 4.46Å; L124-M211 HydrophobicContact CG-CG 4.29Å; L124-M211 HydrophobicContact CG-SD 4.4Å |
| 125 | I | 94.4 | Very high | 92.8 | Very high | 23 Ų | 23 | 23.5 Ų | 23.5 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 177.3 | -74.4 | 164.3 | 0 | 0 | 0 | 111.3 | F70 M121 N122 S127 F128 D129 M152 A156 | F70-I125 HydrophobicContact CD1-CG2 3.56Å; F70-I125 HydrophobicContact CD2-CG2 4.41Å; F70-I125 HydrophobicContact CE1-CG2 3.34Å; F70-I125 HydrophobicContact CE2-CG2 4.22Å; F70-I125 HydrophobicContact CG-CG2 4.12Å; F70-I125 HydrophobicContact CZ-CG2 3.7Å; M121-I125 WeakPolarHBondContact O-CB 3.44Å; M121-I125 WeakPolarHBondContact O-CD1 3.25Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.43Å; M121-I125 PolarHBondContact O-N 3.43Å; N122-I125 PolarHBondContact O-N 3.01Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.44Å; I125-F128 PolarHBondContact O-N 2.89Å; I125-D129 WeakPolarHBondContact O-CB 3.5Å; I125-D129 PolarHBondContact O-N 2.94Å; I125-M152 HydrophobicContact CD1-CB 4.24Å; I125-M152 WeakPolarHBondContact CD1-O 3.38Å; I125-M152 HydrophobicContact CG1-CE 4.26Å; I125-M152 HydrophobicContact CG2-CE 3.83Å; I125-A156 HydrophobicContact CD1-CB 3.84Å |
| 126 | I | 92 | Very high | 92.2 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 173.8 | -70.7 | 162.9 | 0 | 0 | 0 | 110.6 | F70 L71 L74 N122 L123 L124 R130 I425 | F70-I126 HydrophobicContact CB-CD1 3.97Å; F70-I126 HydrophobicContact CB-CG1 3.58Å; F70-I126 HydrophobicContact CD2-CG1 4.46Å; F70-I126 HydrophobicContact CG-CG1 4.25Å; L71-I126 HydrophobicContact CD2-CD1 3.99Å; L74-I126 HydrophobicContact CD2-CD1 4.37Å; N122-I126 WeakPolarHBondContact O-CB 3.37Å; N122-I126 WeakPolarHBondContact O-CD1 3.5Å; N122-I126 VanDerWaalsContact O-CG1 3.23Å; N122-I126 WeakPolarHBondContact O-CG1 3.5Å; N122-I126 PolarHBondContact O-N 3.22Å; L123-I126 PolarHBondContact O-N 2.97Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 2.71Å; I126-R130 WeakPolarHBondContact O-CB 3.47Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.02Å; I126-I425 HydrophobicContact CG2-CG1 4.39Å; I126-I425 HydrophobicContact CG2-CG2 4.24Å |
| 127 | S | 92 | Very high | 91.5 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | L123 L124 I125 R130 Y131 | L123-S127 WeakPolarHBondContact O-CB 3.38Å; L123-S127 PolarHBondContact O-N 2.96Å; L123-S127 PolarHBondContact O-OG 3.38Å; L124-S127 WeakPolarHBondContact O-CA 3.47Å; L124-S127 WeakPolarHBondContact O-CB 3.39Å; L124-S127 PolarHBondContact O-N 3.36Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.44Å; S127-R130 PolarHBondContact O-N 3.44Å; S127-Y131 WeakPolarHBondContact O-CB 3.48Å; S127-Y131 PolarHBondContact O-N 2.81Å |
| 128 | F | 92.8 | Very high | 90.9 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.8 | -45.4 | 177.1 | -82.1 | -69.6 | 0 | 0 | 0 | 113.2 | L124 I125 R130 Y131 F132 I210 L214 | L124-F128 HydrophobicContact CD2-CE2 4.34Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.36Å; L124-F128 PolarHBondContact O-N 3.38Å; I125-F128 PolarHBondContact O-N 2.89Å; F128-R130 PolarHBondContact O-N 2.9Å; F128-Y131 PolarHBondContact O-N 2.89Å; F128-F132 HydrophobicContact CB-CD2 4.44Å; F128-F132 HydrophobicContact CB-CE2 4.12Å; F128-F132 HydrophobicContact CD1-CE2 4.06Å; F128-F132 HydrophobicContact CD1-CZ 4.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.29Å; F128-F132 WeakPolarHBondContact O-CG 3.32Å; F128-F132 PolarHBondContact O-N 3.15Å; F128-I210 HydrophobicContact CE2-CG2 3.9Å; F128-I210 HydrophobicContact CZ-CG2 3.77Å; F128-L214 HydrophobicContact CD1-CD1 3.81Å; F128-L214 HydrophobicContact CD1-CD2 3.97Å; F128-L214 HydrophobicContact CD2-CD1 3.98Å; F128-L214 HydrophobicContact CE1-CD1 3.8Å; F128-L214 HydrophobicContact CE1-CD2 3.84Å; F128-L214 HydrophobicContact CE1-CG 4.38Å; F128-L214 HydrophobicContact CE2-CD1 3.97Å; F128-L214 HydrophobicContact CG-CD1 3.9Å; F128-L214 HydrophobicContact CZ-CD1 3.89Å |
| 129 | D | 91.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -48.4 | -45.7 | 172.3 | 171.2 | 81.2 | 0 | 0 | 0 | 111 | F70 I125 F132 C133 R144 | F70-D129 HydrophobicContact CE2-CB 4.21Å; I125-D129 WeakPolarHBondContact O-CB 3.5Å; I125-D129 PolarHBondContact O-N 2.94Å; D129-F132 PolarHBondContact O-N 3.08Å; D129-C133 WeakPolarHBondContact O-CB 3.36Å; D129-C133 PolarHBondContact O-N 2.78Å; D129-C133 PolarHBondContact O-SG 3.46Å; D129-C133 VanDerWaalsContact O-SG 3.4Å; D129-R144 VanDerWaalsContact CG-NH1 3.3Å; D129-R144 WeakPolarHBondContact OD1-CD 3.39Å; D129-R144 IonicContact OD1-CZ 3.4Å; D129-R144 IonicContact OD1-NE 3.58Å; D129-R144 IonicContact OD1-NH1 3.14Å; D129-R144 PolarHBondContact OD1-NH1 3.11Å; D129-R144 IonicContact OD2-NH1 3.72Å; D129-R144 PolarHBondContact OD2-NH1 3.28Å; D129-R144 VanDerWaalsContact OD2-NH1 3.14Å |
| 130 | R | 88 | Confident | 90.1 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.8 | -37.7 | -174.2 | -65.6 | -70.2 | -171.8 | -133.3 | 19 | 112.4 | N67 I126 S127 F128 V134 I218 I425 | N67-R130 VanDerWaalsContact CG-NH1 3.31Å; N67-R130 PolarHBondContact ND2-NH2 2.92Å; N67-R130 PolarHBondContact OD1-NH1 2.94Å; N67-R130 PolarHBondContact OD1-NH2 3.43Å; I126-R130 WeakPolarHBondContact O-CB 3.47Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.02Å; S127-R130 PolarHBondContact O-N 3.44Å; F128-R130 PolarHBondContact O-N 2.9Å; R130-V134 WeakPolarHBondContact O-CB 3.42Å; R130-V134 VanDerWaalsContact O-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.44Å; R130-V134 PolarHBondContact O-N 3.12Å; R130-I218 HydrophobicContact CB-CD1 4.19Å; R130-I425 HydrophobicContact CB-CD1 4.2Å; R130-I425 VanDerWaalsContact CD-CD1 3.41Å; R130-I425 HydrophobicContact CG-CD1 3.52Å; R130-I425 HydrophobicContact CG-CG1 4.26Å |
| 131 | Y | 89.8 | Confident | 89.7 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 26% | 0.263 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 170.1 | 173.2 | -98.1 | 0 | 0 | 0 | 111 | S127 F128 V134 T135 L214 Q217 I218 | S127-Y131 WeakPolarHBondContact O-CB 3.48Å; S127-Y131 PolarHBondContact O-N 2.81Å; F128-Y131 PolarHBondContact O-N 2.89Å; Y131-V134 PolarHBondContact O-N 3.38Å; Y131-T135 HydrophobicContact CD2-CG2 4.03Å; Y131-T135 HydrophobicContact CE1-CG2 4.32Å; Y131-T135 HydrophobicContact CE2-CG2 3.68Å; Y131-T135 HydrophobicContact CG-CG2 4.48Å; Y131-T135 WeakPolarHBondContact O-CB 3.48Å; Y131-T135 VanDerWaalsContact O-CG2 3.32Å; Y131-T135 WeakPolarHBondContact O-CG2 3.46Å; Y131-T135 PolarHBondContact O-N 3.46Å; Y131-T135 PolarHBondContact O-OG1 2.89Å; Y131-L214 HydrophobicContact CD1-CD2 4.09Å; Y131-L214 HydrophobicContact CD2-CD2 3.91Å; Y131-L214 HydrophobicContact CG-CD2 3.69Å; Y131-Q217 HydrophobicContact CD2-CB 4.11Å; Y131-Q217 HydrophobicContact CE2-CB 3.76Å; Y131-Q217 HydrophobicContact CE2-CG 4.35Å; Y131-I218 HydrophobicContact CD2-CG1 4.46Å |
| 132 | F | 90.5 | Very high | 89.2 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 179.5 | -64.3 | -51.6 | 0 | 0 | 0 | 113.3 | F128 D129 V134 T135 K136 Y140 | F128-F132 HydrophobicContact CB-CD2 4.44Å; F128-F132 HydrophobicContact CB-CE2 4.12Å; F128-F132 HydrophobicContact CD1-CE2 4.06Å; F128-F132 HydrophobicContact CD1-CZ 4.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.29Å; F128-F132 WeakPolarHBondContact O-CG 3.32Å; F128-F132 PolarHBondContact O-N 3.15Å; D129-F132 PolarHBondContact O-N 3.08Å; F132-V134 VanDerWaalsContact C-N 3.35Å; F132-V134 PolarHBondContact O-N 3.05Å; F132-T135 PolarHBondContact O-OG1 2.94Å; F132-K136 WeakPolarHBondContact O-CA 3.34Å; F132-K136 PolarHBondContact O-N 3.22Å; F132-Y140 HydrophobicContact CB-CD1 3.56Å; F132-Y140 HydrophobicContact CB-CD2 3.75Å; F132-Y140 HydrophobicContact CB-CE1 3.66Å; F132-Y140 HydrophobicContact CB-CE2 3.85Å; F132-Y140 HydrophobicContact CB-CG 3.6Å; F132-Y140 HydrophobicContact CD2-CE2 4.16Å; F132-Y140 HydrophobicContact CG-CD2 4.38Å; F132-Y140 HydrophobicContact CG-CE2 4.27Å |
| 133 | C | 86.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 172 | -80.8 | 0 | 0 | 0 | 0 | 112.9 | D129 P137 | D129-C133 WeakPolarHBondContact O-CB 3.36Å; D129-C133 PolarHBondContact O-N 2.78Å; D129-C133 PolarHBondContact O-SG 3.46Å; D129-C133 VanDerWaalsContact O-SG 3.4Å; C133-P137 WeakPolarHBondContact O-CA 3.21Å |
| 134 | V | 85 | Confident | 88.7 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.9 | -32.4 | -176.6 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | R130 Y131 F132 I218 A221 R225 | R130-V134 WeakPolarHBondContact O-CB 3.42Å; R130-V134 VanDerWaalsContact O-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.44Å; R130-V134 PolarHBondContact O-N 3.12Å; Y131-V134 PolarHBondContact O-N 3.38Å; F132-V134 VanDerWaalsContact C-N 3.35Å; F132-V134 PolarHBondContact O-N 3.05Å; V134-I218 HydrophobicContact CG2-CG2 4.35Å; V134-A221 HydrophobicContact CG1-CB 3.83Å; V134-R225 PolarHBondContact O-NH2 3.21Å |
| 135 | T | 86.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -84.1 | -42 | 179.6 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | Y131 F132 P137 | Y131-T135 HydrophobicContact CD2-CG2 4.03Å; Y131-T135 HydrophobicContact CE1-CG2 4.32Å; Y131-T135 HydrophobicContact CE2-CG2 3.68Å; Y131-T135 HydrophobicContact CG-CG2 4.48Å; Y131-T135 WeakPolarHBondContact O-CB 3.48Å; Y131-T135 VanDerWaalsContact O-CG2 3.32Å; Y131-T135 WeakPolarHBondContact O-CG2 3.46Å; Y131-T135 PolarHBondContact O-N 3.46Å; Y131-T135 PolarHBondContact O-OG1 2.89Å; F132-T135 PolarHBondContact O-OG1 2.94Å; T135-P137 WeakPolarHBondContact O-CD 3.38Å |
| 136 | K | 86.4 | Confident | 88.3 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -117.4 | 59 | -175.9 | -59.9 | -177.3 | -178.1 | -179.1 | 0 | 111.8 | F132 L138 S139 Y140 P141 | F132-K136 WeakPolarHBondContact O-CA 3.34Å; F132-K136 PolarHBondContact O-N 3.22Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.89Å; K136-S139 PolarHBondContact O-N 3.36Å; K136-Y140 PolarHBondContact O-N 3.47Å; K136-P141 WeakPolarHBondContact O-CD 3.41Å |
| 137 | P | 83.4 | Confident | 88.3 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 34% | 0.338 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.8 | -164.7 | 28.4 | -38.6 | 0 | 0 | 0 | 115.5 | C133 T135 P141 | C133-P137 WeakPolarHBondContact O-CA 3.21Å; T135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-P141 WeakPolarHBondContact O-CD 3.06Å; P137-P141 WeakPolarHBondContact O-CG 3.24Å |
| 138 | L | 83.9 | Confident | 88.4 | Confident | 149 Ų | 149 | 74 Ų | 74 | 78% | 0.78 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -35.9 | 177 | -59.4 | 179.4 | 0 | 0 | 0 | 112.2 | K136 V142 | K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.89Å; L138-V142 WeakPolarHBondContact O-CG2 3.26Å |
| 139 | S | 87 | Confident | 88.4 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -39.2 | -170.9 | -39.2 | 0 | 0 | 0 | 0 | 113.8 | K136 | K136-S139 PolarHBondContact O-N 3.36Š|
| 140 | Y | 89.5 | Confident | 88.5 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 12% | 0.122 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.3 | -47.2 | -174.9 | 179.8 | -103.4 | 0 | 0 | 0 | 113.2 | F132 K136 V142 K143 R144 | F132-Y140 HydrophobicContact CB-CD1 3.56Å; F132-Y140 HydrophobicContact CB-CD2 3.75Å; F132-Y140 HydrophobicContact CB-CE1 3.66Å; F132-Y140 HydrophobicContact CB-CE2 3.85Å; F132-Y140 HydrophobicContact CB-CG 3.6Å; F132-Y140 HydrophobicContact CD2-CE2 4.16Å; F132-Y140 HydrophobicContact CG-CD2 4.38Å; F132-Y140 HydrophobicContact CG-CE2 4.27Å; K136-Y140 PolarHBondContact O-N 3.47Å; Y140-V142 PolarHBondContact O-N 3.05Å; Y140-V142 VanDerWaalsContact O-N 3.15Å; Y140-K143 PolarHBondContact O-N 2.92Å; Y140-K143 VanDerWaalsContact O-N 3.13Å; Y140-R144 HydrophobicContact CE1-CB 4.49Å; Y140-R144 HydrophobicContact CE1-CG 4.41Å; Y140-R144 WeakPolarHBondContact O-CB 3.22Å; Y140-R144 PolarHBondContact O-N 2.73Å; Y140-R144 VanDerWaalsContact O-N 3.11Å |
| 141 | P | 87 | Confident | 88.9 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 34% | 0.338 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -26.6 | -179 | -26.9 | 38.2 | 0 | 0 | 0 | 114.7 | K136 P137 | K136-P141 WeakPolarHBondContact O-CD 3.41Å; P137-P141 WeakPolarHBondContact O-CD 3.06Å; P137-P141 WeakPolarHBondContact O-CG 3.24Å |
| 142 | V | 86.6 | Confident | 89.1 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 76% | 0.758 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75.9 | -38.1 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | L138 Y140 R144 | L138-V142 WeakPolarHBondContact O-CG2 3.26Å; Y140-V142 PolarHBondContact O-N 3.05Å; Y140-V142 VanDerWaalsContact O-N 3.15Å; V142-R144 VanDerWaalsContact C-N 3.34Å |
| 143 | K | 87.1 | Confident | 89.5 | Confident | 166 Ų | 166 | 73.4 Ų | 73.4 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -76.5 | -19.9 | 176.9 | -68 | -171.4 | 177.2 | -166.2 | 0 | 113.4 | Y140 T145 | Y140-K143 PolarHBondContact O-N 2.92Å; Y140-K143 VanDerWaalsContact O-N 3.13Å; K143-T145 PolarHBondContact O-N 2.99Å; K143-T145 VanDerWaalsContact O-N 3.09Å |
| 144 | R | 88.4 | Confident | 90 | Very high | 43 Ų | 43 | 74.6 Ų | 74.6 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | trans | -80 | 91 | -171.3 | -170.6 | -169.6 | 62.1 | 162.8 | 3.9 | 112.7 | V66 N67 D129 Y140 V142 | V66-R144 HydrophobicContact CG1-CG 4.02Å; N67-R144 PolarHBondContact OD1-NH1 3.49Å; N67-R144 PolarHBondContact OD1-NH2 2.98Å; D129-R144 VanDerWaalsContact CG-NH1 3.3Å; D129-R144 WeakPolarHBondContact OD1-CD 3.39Å; D129-R144 IonicContact OD1-CZ 3.4Å; D129-R144 IonicContact OD1-NE 3.58Å; D129-R144 IonicContact OD1-NH1 3.14Å; D129-R144 PolarHBondContact OD1-NH1 3.11Å; D129-R144 IonicContact OD2-NH1 3.72Å; D129-R144 PolarHBondContact OD2-NH1 3.28Å; D129-R144 VanDerWaalsContact OD2-NH1 3.14Å; Y140-R144 HydrophobicContact CE1-CB 4.49Å; Y140-R144 HydrophobicContact CE1-CG 4.41Å; Y140-R144 WeakPolarHBondContact O-CB 3.22Å; Y140-R144 PolarHBondContact O-N 2.73Å; Y140-R144 VanDerWaalsContact O-N 3.11Å; V142-R144 VanDerWaalsContact C-N 3.34Å | ||
| 145 | T | 92.2 | Very high | 90.6 | Very high | 73 Ų | 73 | 75.8 Ų | 75.8 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | trans | -85.8 | 163.3 | 177 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | K143 K147 M148 A149 | K143-T145 PolarHBondContact O-N 2.99Å; K143-T145 VanDerWaalsContact O-N 3.09Å; T145-K147 VanDerWaalsContact C-N 3.33Å; T145-M148 PolarHBondContact O-N 2.9Å; T145-M148 PolarHBondContact OG1-N 3.37Å; T145-M148 VanDerWaalsContact OG1-N 3.14Å; T145-A149 PolarHBondContact O-N 2.67Å | ||
| 146 | T | 89.6 | Confident | 91.1 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 169.4 | 46 | 0 | 0 | 0 | 0 | 112.4 | V66 Y69 M148 A149 G150 | V66-T146 HydrophobicContact CG2-CG2 4.03Å; Y69-T146 HydrophobicContact CD2-CG2 4.49Å; Y69-T146 HydrophobicContact CE2-CG2 3.95Å; T146-M148 PolarHBondContact O-N 3.11Å; T146-A149 PolarHBondContact O-N 3.33Å; T146-G150 PolarHBondContact O-N 3.17Å |
| 147 | K | 92.1 | Very high | 91.7 | Very high | 172 Ų | 172 | 70.9 Ų | 70.9 | 75% | 0.748 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58 | -46.8 | 173.7 | -68.5 | -169.4 | 177 | -171.8 | 0 | 111.4 | T145 A149 G150 M151 | T145-K147 VanDerWaalsContact C-N 3.33Å; K147-A149 PolarHBondContact O-N 3.21Å; K147-G150 PolarHBondContact O-N 3.14Å; K147-M151 WeakPolarHBondContact O-CG 3.38Å; K147-M151 PolarHBondContact O-N 3.02Å |
| 148 | M | 92.5 | Very high | 92.4 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 177.1 | -175.2 | -176.6 | -178.9 | 0 | 0 | 111.7 | T145 T146 G150 M151 M152 | T145-M148 PolarHBondContact O-N 2.9Å; T145-M148 PolarHBondContact OG1-N 3.37Å; T145-M148 VanDerWaalsContact OG1-N 3.14Å; T146-M148 PolarHBondContact O-N 3.11Å; M148-G150 PolarHBondContact O-N 3.4Å; M148-M151 PolarHBondContact O-N 2.62Å; M148-M152 HydrophobicContact CE-SD 4.06Å; M148-M152 HydrophobicContact CG-SD 4.18Å; M148-M152 WeakPolarHBondContact O-CG 3.43Å; M148-M152 PolarHBondContact O-N 2.77Å |
| 149 | A | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V66 F70 T145 T146 K147 M152 I153 | V66-A149 HydrophobicContact CG1-CB 3.51Å; F70-A149 HydrophobicContact CE1-CB 3.64Å; F70-A149 HydrophobicContact CE2-CB 4.34Å; F70-A149 HydrophobicContact CZ-CB 3.51Å; T145-A149 PolarHBondContact O-N 2.67Å; T146-A149 PolarHBondContact O-N 3.33Å; K147-A149 PolarHBondContact O-N 3.21Å; A149-M152 PolarHBondContact O-N 2.8Å; A149-I153 WeakPolarHBondContact O-CB 3.37Å; A149-I153 WeakPolarHBondContact O-CD1 3.34Å; A149-I153 VanDerWaalsContact O-CG1 3.28Å; A149-I153 WeakPolarHBondContact O-CG1 3.23Å; A149-I153 PolarHBondContact O-N 2.89Å |
| 150 | G | 94.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T146 K147 M148 I153 A154 | T146-G150 PolarHBondContact O-N 3.17Å; K147-G150 PolarHBondContact O-N 3.14Å; M148-G150 PolarHBondContact O-N 3.4Å; G150-I153 PolarHBondContact O-N 3.43Å; G150-A154 WeakPolarHBondContact O-CB 3.08Å; G150-A154 PolarHBondContact O-N 2.91Å |
| 151 | M | 95.1 | Very high | 94 | Very high | 127 Ų | 127 | 69.9 Ų | 69.9 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 175 | -66.7 | -174.6 | -59.4 | 0 | 0 | 112.4 | K147 M148 I153 A154 A155 | K147-M151 WeakPolarHBondContact O-CG 3.38Å; K147-M151 PolarHBondContact O-N 3.02Å; M148-M151 PolarHBondContact O-N 2.62Å; M151-I153 VanDerWaalsContact C-N 3.34Å; M151-I153 PolarHBondContact O-N 3.24Å; M151-A154 PolarHBondContact O-N 2.98Å; M151-A155 VanDerWaalsContact O-CB 3.31Å; M151-A155 WeakPolarHBondContact O-CB 3.46Å; M151-A155 PolarHBondContact O-N 2.62Å |
| 152 | M | 95.3 | Very high | 94.5 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.6 | -67.7 | 173.8 | 79 | 0 | 0 | 112 | F70 I125 M148 A149 A156 | F70-M152 HydrophobicContact CE1-CB 4.34Å; F70-M152 HydrophobicContact CZ-SD 4.35Å; I125-M152 HydrophobicContact CD1-CB 4.24Å; I125-M152 WeakPolarHBondContact CD1-O 3.38Å; I125-M152 HydrophobicContact CG1-CE 4.26Å; I125-M152 HydrophobicContact CG2-CE 3.83Å; M148-M152 HydrophobicContact CE-SD 4.06Å; M148-M152 HydrophobicContact CG-SD 4.18Å; M148-M152 WeakPolarHBondContact O-CG 3.43Å; M148-M152 PolarHBondContact O-N 2.77Å; A149-M152 PolarHBondContact O-N 2.8Å; M152-A156 PolarHBondContact O-N 3.2Å; M152-A156 VanDerWaalsContact O-N 3.09Å |
| 153 | I | 97.3 | Very high | 95 | Very high | 26 Ų | 26 | 70.9 Ų | 70.9 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -51.2 | 173.9 | -72 | 161.4 | 0 | 0 | 0 | 110.3 | Y69 F70 S73 A149 G150 M151 A155 A156 W157 | Y69-I153 WeakPolarHBondContact O-CD1 3.2Å; F70-I153 HydrophobicContact CD1-CD1 3.83Å; F70-I153 HydrophobicContact CD1-CG1 3.76Å; F70-I153 HydrophobicContact CE1-CD1 4.27Å; F70-I153 HydrophobicContact CE1-CG1 4.12Å; S73-I153 WeakPolarHBondContact OG-CG2 3.25Å; A149-I153 WeakPolarHBondContact O-CB 3.37Å; A149-I153 WeakPolarHBondContact O-CD1 3.34Å; A149-I153 VanDerWaalsContact O-CG1 3.28Å; A149-I153 WeakPolarHBondContact O-CG1 3.23Å; A149-I153 PolarHBondContact O-N 2.89Å; G150-I153 PolarHBondContact O-N 3.43Å; M151-I153 VanDerWaalsContact C-N 3.34Å; M151-I153 PolarHBondContact O-N 3.24Å; I153-A155 VanDerWaalsContact C-N 3.31Å; I153-A155 PolarHBondContact O-N 3.09Å; I153-A156 WeakPolarHBondContact O-CB 3.36Å; I153-A156 PolarHBondContact O-N 3.45Å; I153-A156 VanDerWaalsContact O-N 3.09Å; I153-W157 VanDerWaalsContact O-CD1 3.29Å; I153-W157 PolarHBondContact O-N 2.76Å |
| 154 | A | 97.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 64 Ų | 64 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G150 M151 A156 W157 V158 | G150-A154 WeakPolarHBondContact O-CB 3.08Å; G150-A154 PolarHBondContact O-N 2.91Å; M151-A154 PolarHBondContact O-N 2.98Å; A154-A156 PolarHBondContact O-N 3.09Å; A154-W157 PolarHBondContact O-N 2.96Å; A154-V158 WeakPolarHBondContact O-CB 3.23Å; A154-V158 VanDerWaalsContact O-CG2 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.35Å; A154-V158 PolarHBondContact O-N 2.94Å |
| 155 | A | 97.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | M151 I153 L159 | M151-A155 VanDerWaalsContact O-CB 3.31Å; M151-A155 WeakPolarHBondContact O-CB 3.46Å; M151-A155 PolarHBondContact O-N 2.62Å; I153-A155 VanDerWaalsContact C-N 3.31Å; I153-A155 PolarHBondContact O-N 3.09Å; A155-L159 WeakPolarHBondContact O-CB 3.5Å; A155-L159 PolarHBondContact O-N 3.37Å |
| 156 | A | 97.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 61 Ų | 61 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M121 I125 M152 I153 A154 S160 | M121-A156 HydrophobicContact CB-CB 3.78Å; I125-A156 HydrophobicContact CD1-CB 3.84Å; M152-A156 PolarHBondContact O-N 3.2Å; M152-A156 VanDerWaalsContact O-N 3.09Å; I153-A156 WeakPolarHBondContact O-CB 3.36Å; I153-A156 PolarHBondContact O-N 3.45Å; I153-A156 VanDerWaalsContact O-N 3.09Å; A154-A156 PolarHBondContact O-N 3.09Å; A156-S160 VanDerWaalsContact O-CB 3.32Å; A156-S160 WeakPolarHBondContact O-CB 3.49Å; A156-S160 PolarHBondContact O-N 3.31Å; A156-S160 VanDerWaalsContact O-N 3.07Å; A156-S160 PolarHBondContact O-OG 3.5Å |
| 157 | W | 98.6 | Very high | 96.4 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 24% | 0.239 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 176.9 | -77.9 | 95.6 | 0 | 0 | 0 | 112.2 | S73 A77 I80 V115 A118 I153 A154 S160 F161 | S73-W157 PolarHBondContact OG-NE1 3.09Å; S73-W157 VanDerWaalsContact OG-NE1 3.15Å; A77-W157 HydrophobicContact CB-CH2 3.8Å; A77-W157 HydrophobicContact CB-CZ2 3.83Å; I80-W157 HydrophobicContact CD1-CH2 4.11Å; V115-W157 HydrophobicContact CG2-CH2 4.41Å; V115-W157 HydrophobicContact CG2-CZ3 4.08Å; A118-W157 HydrophobicContact CB-CD2 3.87Å; A118-W157 HydrophobicContact CB-CE3 3.87Å; A118-W157 HydrophobicContact CB-CG 4.41Å; A118-W157 HydrophobicContact CB-CH2 4.38Å; A118-W157 HydrophobicContact CB-CZ2 4.38Å; A118-W157 HydrophobicContact CB-CZ3 4.13Å; I153-W157 VanDerWaalsContact O-CD1 3.29Å; I153-W157 PolarHBondContact O-N 2.76Å; A154-W157 PolarHBondContact O-N 2.96Å; W157-S160 PolarHBondContact O-N 2.9Å; W157-F161 PolarHBondContact O-N 3.24Å |
| 158 | V | 98.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 179.5 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | A154 S160 F161 I162 | A154-V158 WeakPolarHBondContact O-CB 3.23Å; A154-V158 VanDerWaalsContact O-CG2 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.35Å; A154-V158 PolarHBondContact O-N 2.94Å; V158-S160 VanDerWaalsContact C-N 3.35Å; V158-S160 PolarHBondContact O-N 3.16Å; V158-F161 PolarHBondContact O-N 3.07Å; V158-I162 HydrophobicContact CG1-CD1 3.65Å; V158-I162 HydrophobicContact CG1-CG1 4.41Å; V158-I162 VanDerWaalsContact O-CG1 3.32Å; V158-I162 WeakPolarHBondContact O-CG1 3.36Å; V158-I162 PolarHBondContact O-N 2.96Å |
| 159 | L | 97.4 | Very high | 96.8 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 45% | 0.45 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176 | -178.3 | 61.3 | 0 | 0 | 0 | 111.4 | A155 F161 I162 L163 | A155-L159 WeakPolarHBondContact O-CB 3.5Å; A155-L159 PolarHBondContact O-N 3.37Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 3.44Å; L159-I162 PolarHBondContact O-N 2.77Å; L159-L163 HydrophobicContact CD1-CD1 3.91Å; L159-L163 HydrophobicContact CD1-CG 4.05Å; L159-L163 HydrophobicContact CG-CD1 3.85Å; L159-L163 HydrophobicContact CG-CG 4.39Å; L159-L163 WeakPolarHBondContact O-CB 3.27Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.09Å; L159-L163 PolarHBondContact O-N 2.94Å |
| 160 | S | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.9 | -57 | 0 | 0 | 0 | 0 | 111.7 | V114 N117 A118 A156 W157 V158 W164 | V114-S160 WeakPolarHBondContact O-CB 3.39Å; N117-S160 WeakPolarHBondContact ND2-CB 3.39Å; N117-S160 PolarHBondContact ND2-OG 3.41Å; A118-S160 VanDerWaalsContact CA-OG 3.31Å; A118-S160 WeakPolarHBondContact CA-OG 3.43Å; A118-S160 PolarHBondContact N-OG 2.82Å; A118-S160 VanDerWaalsContact N-OG 3.17Å; A156-S160 VanDerWaalsContact O-CB 3.32Å; A156-S160 WeakPolarHBondContact O-CB 3.49Å; A156-S160 PolarHBondContact O-N 3.31Å; A156-S160 VanDerWaalsContact O-N 3.07Å; A156-S160 PolarHBondContact O-OG 3.5Å; W157-S160 PolarHBondContact O-N 2.9Å; V158-S160 VanDerWaalsContact C-N 3.35Å; V158-S160 PolarHBondContact O-N 3.16Å; S160-W164 PolarHBondContact O-N 2.93Å |
| 161 | F | 98.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 59.1 Ų | 59.1 | 52% | 0.522 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -51.6 | 176 | -175.8 | -94 | 0 | 0 | 0 | 111.7 | V114 W157 V158 L159 L163 W164 A165 P166 | V114-F161 HydrophobicContact CG1-CB 4.19Å; V114-F161 HydrophobicContact CG1-CD2 4.44Å; V114-F161 HydrophobicContact CG2-CD2 4.48Å; W157-F161 PolarHBondContact O-N 3.24Å; V158-F161 PolarHBondContact O-N 3.07Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 3.44Å; F161-L163 VanDerWaalsContact C-N 3.32Å; F161-L163 PolarHBondContact O-N 3.06Å; F161-W164 PolarHBondContact O-N 2.91Å; F161-A165 HydrophobicContact CD2-CB 3.81Å; F161-A165 HydrophobicContact CE1-CB 4.39Å; F161-A165 HydrophobicContact CE2-CB 3.6Å; F161-A165 HydrophobicContact CG-CB 4.29Å; F161-A165 HydrophobicContact CZ-CB 3.92Å; F161-A165 WeakPolarHBondContact O-CB 3.23Å; F161-A165 PolarHBondContact O-N 3.17Å; F161-P166 WeakPolarHBondContact O-CD 3.45Å |
| 162 | I | 97.7 | Very high | 96.8 | Very high | 105 Ų | 105 | 54.4 Ų | 54.4 | 54% | 0.538 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | -177.8 | -68.8 | 169.8 | 0 | 0 | 0 | 112.2 | V158 L159 P166 | V158-I162 HydrophobicContact CG1-CD1 3.65Å; V158-I162 HydrophobicContact CG1-CG1 4.41Å; V158-I162 VanDerWaalsContact O-CG1 3.32Å; V158-I162 WeakPolarHBondContact O-CG1 3.36Å; V158-I162 PolarHBondContact O-N 2.96Å; L159-I162 PolarHBondContact O-N 2.77Å; I162-P166 WeakPolarHBondContact O-CD 3.33Å; I162-P166 WeakPolarHBondContact O-CG 3.31Å |
| 163 | L | 95.5 | Very high | 96.7 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -73 | -38.7 | 179.2 | -71.8 | 171.9 | 0 | 0 | 0 | 113.3 | L159 F161 | L159-L163 HydrophobicContact CD1-CD1 3.91Å; L159-L163 HydrophobicContact CD1-CG 4.05Å; L159-L163 HydrophobicContact CG-CD1 3.85Å; L159-L163 HydrophobicContact CG-CG 4.39Å; L159-L163 WeakPolarHBondContact O-CB 3.27Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.09Å; L159-L163 PolarHBondContact O-N 2.94Å; F161-L163 VanDerWaalsContact C-N 3.32Å; F161-L163 PolarHBondContact O-N 3.06Å |
| 164 | W | 97.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -106.9 | -44.1 | -169 | -70.2 | 102.9 | 0 | 0 | 0 | 114.6 | Y113 V114 N117 S160 F161 A167 I168 F189 F190 A203 | Y113-W164 HydrophobicContact CD1-CD2 4.25Å; Y113-W164 AromaticContact CD1-CE3 3.78Å; Y113-W164 HydrophobicContact CD1-CE3 3.78Å; Y113-W164 AromaticContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CZ2 4.37Å; Y113-W164 AromaticContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CE1-CH2 4.35Å; Y113-W164 HydrophobicContact CE1-CZ3 4.16Å; Y113-W164 HydrophobicContact CG-CE3 4.23Å; Y113-W164 HydrophobicContact CG-CZ3 4.46Å; V114-W164 HydrophobicContact CG2-CB 3.75Å; N117-W164 PolarHBondContact OD1-NE1 3.46Å; S160-W164 PolarHBondContact O-N 2.93Å; F161-W164 PolarHBondContact O-N 2.91Å; W164-A167 PolarHBondContact O-N 3.48Å; W164-I168 HydrophobicContact CB-CD1 4.37Å; W164-I168 HydrophobicContact CE3-CD1 4.15Å; W164-I168 WeakPolarHBondContact O-CB 3.46Å; W164-I168 WeakPolarHBondContact O-CG1 3.46Å; W164-I168 PolarHBondContact O-N 2.92Å; W164-F189 HydrophobicContact CE3-CZ 4.38Å; W164-F189 HydrophobicContact CZ3-CE2 4.4Å; W164-F189 HydrophobicContact CZ3-CZ 4.19Å; W164-F190 AromaticContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CZ3-CE1 4.43Å; W164-F190 AromaticContact CZ3-CZ 3.75Å; W164-F190 HydrophobicContact CZ3-CZ 3.75Å; W164-A203 HydrophobicContact CZ2-CB 3.92Å |
| 165 | A | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -46.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A110 V114 F161 A167 I168 L169 | A110-A165 HydrophobicContact CB-CB 4.4Å; V114-A165 HydrophobicContact CG2-CB 4.04Å; F161-A165 HydrophobicContact CD2-CB 3.81Å; F161-A165 HydrophobicContact CE1-CB 4.39Å; F161-A165 HydrophobicContact CE2-CB 3.6Å; F161-A165 HydrophobicContact CG-CB 4.29Å; F161-A165 HydrophobicContact CZ-CB 3.92Å; F161-A165 WeakPolarHBondContact O-CB 3.23Å; F161-A165 PolarHBondContact O-N 3.17Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.95Å; A165-I168 PolarHBondContact O-N 3.42Å; A165-L169 HydrophobicContact CB-CD1 4.49Å; A165-L169 VanDerWaalsContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CB 3.3Å; A165-L169 VanDerWaalsContact O-CG 3.23Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 3.46Å |
| 166 | P | 97.1 | Very high | 96 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 174.9 | -24.4 | 34.7 | 0 | 0 | 0 | 113 | F161 I162 F170 | F161-P166 WeakPolarHBondContact O-CD 3.45Å; I162-P166 WeakPolarHBondContact O-CD 3.33Å; I162-P166 WeakPolarHBondContact O-CG 3.31Å; P166-F170 HydrophobicContact CB-CD2 4.13Å; P166-F170 WeakPolarHBondContact O-CB 3.39Å; P166-F170 PolarHBondContact O-N 3.1Å |
| 167 | A | 95.7 | Very high | 95.7 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | W164 A165 W171 F189 | W164-A167 PolarHBondContact O-N 3.48Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.95Å; A167-W171 WeakPolarHBondContact O-CB 3.2Å; A167-F189 HydrophobicContact CB-CE1 3.75Å; A167-F189 HydrophobicContact CB-CZ 3.97Å; A167-F189 WeakPolarHBondContact O-CE1 3.34Å |
| 168 | I | 96.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.4 | -45.2 | -179.3 | -67.7 | 167.8 | 0 | 0 | 0 | 111.1 | L109 A110 Y113 W164 A165 I187 F189 | L109-I168 HydrophobicContact CB-CG2 3.83Å; A110-I168 HydrophobicContact CB-CB 4.34Å; A110-I168 HydrophobicContact CB-CG2 4.13Å; Y113-I168 HydrophobicContact CD2-CD1 4.38Å; Y113-I168 HydrophobicContact CG-CD1 4.1Å; W164-I168 HydrophobicContact CB-CD1 4.37Å; W164-I168 HydrophobicContact CE3-CD1 4.15Å; W164-I168 WeakPolarHBondContact O-CB 3.46Å; W164-I168 WeakPolarHBondContact O-CG1 3.46Å; W164-I168 PolarHBondContact O-N 2.92Å; A165-I168 PolarHBondContact O-N 3.42Å; I168-I187 HydrophobicContact CD1-CD1 3.63Å; I168-I187 HydrophobicContact CD1-CG1 4.28Å; I168-I187 HydrophobicContact CG1-CD1 3.88Å; I168-I187 HydrophobicContact CG1-CG1 4.14Å; I168-I187 HydrophobicContact CG1-CG2 4.39Å; I168-F189 HydrophobicContact CG1-CE1 3.9Å; I168-F189 HydrophobicContact CG1-CZ 4.17Å |
| 169 | L | 96.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -76.2 | -41.1 | -174 | -61.1 | 176 | 0 | 0 | 0 | 113.1 | D106 L107 A110 A165 Q172 | D106-L169 HydrophobicContact CB-CD2 3.91Å; L107-L169 HydrophobicContact CD2-CD2 4.34Å; A110-L169 HydrophobicContact CB-CD2 3.95Å; A110-L169 HydrophobicContact CB-CG 4.09Å; A165-L169 HydrophobicContact CB-CD1 4.49Å; A165-L169 VanDerWaalsContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CB 3.3Å; A165-L169 VanDerWaalsContact O-CG 3.23Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 3.46Å; L169-Q172 PolarHBondContact O-NE2 3.35Å |
| 170 | F | 95.6 | Very high | 95.1 | Very high | 114 Ų | 114 | 64.3 Ų | 64.3 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -102 | -9.5 | -167.9 | -56.4 | -57.6 | 0 | 0 | 0 | 115.8 | P166 Q172 F173 I174 | P166-F170 HydrophobicContact CB-CD2 4.13Å; P166-F170 WeakPolarHBondContact O-CB 3.39Å; P166-F170 PolarHBondContact O-N 3.1Å; F170-Q172 VanDerWaalsContact C-N 3.25Å; F170-Q172 PolarHBondContact O-N 3.25Å; F170-F173 HydrophobicContact CB-CD2 4.37Å; F170-F173 AromaticContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CE2 4.11Å; F170-F173 PolarHBondContact O-N 3.16Å; F170-I174 PolarHBondContact O-N 3.46Å |
| 171 | W | 94.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -35.3 | -178.1 | -175.6 | -95.5 | 0 | 0 | 0 | 113.5 | A167 F173 I174 V175 F189 | A167-W171 WeakPolarHBondContact O-CB 3.2Å; W171-F173 VanDerWaalsContact C-N 3.26Å; W171-F173 PolarHBondContact O-N 3.04Å; W171-I174 HydrophobicContact CE3-CD1 4.44Å; W171-I174 PolarHBondContact O-N 3.28Å; W171-I174 VanDerWaalsContact O-N 3.13Å; W171-V175 HydrophobicContact CD2-CG2 4.37Å; W171-V175 HydrophobicContact CG-CG2 4.41Å; W171-V175 HydrophobicContact CZ2-CG2 4.23Å; W171-V175 WeakPolarHBondContact O-CG2 3.47Å; W171-V175 PolarHBondContact O-N 3Å; W171-F189 HydrophobicContact CB-CD1 4.32Å; W171-F189 HydrophobicContact CD2-CB 3.93Å; W171-F189 HydrophobicContact CG-CB 4.1Å; W171-F189 HydrophobicContact CG-CD1 4.25Å; W171-F189 HydrophobicContact CZ2-CB 4.22Å |
| 172 | Q | 92.5 | Very high | 94.5 | Very high | 29 Ų | 29 | 69.9 Ų | 69.9 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.6 | -32.8 | 174.4 | 63.8 | -161.8 | -41.9 | 0 | 0 | 113.3 | D106 L169 F170 G176 G177 R178 | D106-Q172 PolarHBondContact OD2-NE2 2.96Å; L169-Q172 PolarHBondContact O-NE2 3.35Å; F170-Q172 VanDerWaalsContact C-N 3.25Å; F170-Q172 PolarHBondContact O-N 3.25Å; Q172-G176 PolarHBondContact O-N 2.9Å; Q172-G177 CarbonylContact O-C 3.48Å; Q172-G177 PolarHBondContact O-N 2.77Å; Q172-R178 HydrophobicContact CB-CB 4.38Å |
| 173 | F | 93.3 | Very high | 94.2 | Very high | 148 Ų | 148 | 70.2 Ų | 70.2 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -79.9 | -31.4 | 174.6 | -51.9 | -68.9 | 0 | 0 | 0 | 112.4 | F170 W171 V175 G176 | F170-F173 HydrophobicContact CB-CD2 4.37Å; F170-F173 AromaticContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CE2 4.11Å; F170-F173 PolarHBondContact O-N 3.16Å; W171-F173 VanDerWaalsContact C-N 3.26Å; W171-F173 PolarHBondContact O-N 3.04Å; F173-V175 VanDerWaalsContact C-N 3.35Å; F173-G176 PolarHBondContact O-N 2.78Å |
| 174 | I | 92.6 | Very high | 94.1 | Very high | 125 Ų | 125 | 70 Ų | 70 | 64% | 0.641 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.7 | -38.1 | 175.4 | -62.2 | 172.2 | 0 | 0 | 0 | 111 | F170 W171 G176 | F170-I174 PolarHBondContact O-N 3.46Å; W171-I174 HydrophobicContact CE3-CD1 4.44Å; W171-I174 PolarHBondContact O-N 3.28Å; W171-I174 VanDerWaalsContact O-N 3.13Å; I174-G176 VanDerWaalsContact C-N 3.31Å |
| 175 | V | 91.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.4 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | W171 F173 G177 | W171-V175 HydrophobicContact CD2-CG2 4.37Å; W171-V175 HydrophobicContact CG-CG2 4.41Å; W171-V175 HydrophobicContact CZ2-CG2 4.23Å; W171-V175 WeakPolarHBondContact O-CG2 3.47Å; W171-V175 PolarHBondContact O-N 3Å; F173-V175 VanDerWaalsContact C-N 3.35Å; V175-G177 VanDerWaalsContact C-N 3.33Å |
| 176 | G | 92.4 | Very high | 94 | Very high | 73 Ų | 73 | 72.7 Ų | 72.7 | 75% | 0.753 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 12.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q172 F173 I174 | Q172-G176 PolarHBondContact O-N 2.9Å; F173-G176 PolarHBondContact O-N 2.78Å; I174-G176 VanDerWaalsContact C-N 3.31Å |
| 177 | G | 92.1 | Very high | 93.9 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -176.2 | 153.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q172 V175 Q188 | Q172-G177 CarbonylContact O-C 3.48Å; Q172-G177 PolarHBondContact O-N 2.77Å; V175-G177 VanDerWaalsContact C-N 3.33Å; G177-Q188 PolarHBondContact O-NE2 2.94Å |
| 178 | R | 93.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 70.2 Ų | 70.2 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | trans | -84.1 | 127.4 | 170 | -173 | -176.5 | -171.5 | 84.8 | -1.3 | 109.4 | D106 Q172 V180 | D106-R178 IonicContact OD1-CZ 2.67Å; D106-R178 VanDerWaalsContact OD1-CZ 3.28Å; D106-R178 IonicContact OD1-NH1 2.93Å; D106-R178 PolarHBondContact OD1-NH1 3.22Å; D106-R178 IonicContact OD1-NH2 3.28Å; D106-R178 PolarHBondContact OD1-NH2 3.39Å; D106-R178 IonicContact OD2-CZ 2.77Å; D106-R178 IonicContact OD2-NH1 2.68Å; D106-R178 PolarHBondContact OD2-NH1 3.25Å; D106-R178 IonicContact OD2-NH2 3.82Å; Q172-R178 HydrophobicContact CB-CB 4.38Å; R178-V180 HydrophobicContact CG-CB 4.23Å; R178-V180 PolarHBondContact NE-O 3.38Å | ||
| 179 | T | 94.1 | Very high | 93.5 | Very high | 83 Ų | 83 | 70.6 Ų | 70.6 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | trans | -105.7 | -2.8 | 176 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | Y186 Q188 | T179-Y186 PolarHBondContact O-OH 2.88Å; T179-Q188 WeakPolarHBondContact OG1-CG 3.48Å | ||
| 180 | V | 94.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -80.7 | 120.4 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | R178 E184 Y186 Q188 | R178-V180 HydrophobicContact CG-CB 4.23Å; R178-V180 PolarHBondContact NE-O 3.38Å; V180-E184 HydrophobicContact CG1-CB 4.5Å; V180-Y186 HydrophobicContact CB-CE1 4.39Å; V180-Y186 HydrophobicContact CG1-CD1 4.01Å; V180-Y186 HydrophobicContact CG1-CE1 3.87Å; V180-Y186 HydrophobicContact CG2-CD2 4.21Å; V180-Y186 HydrophobicContact CG2-CE1 4.37Å; V180-Y186 HydrophobicContact CG2-CE2 3.84Å; V180-Q188 HydrophobicContact CG2-CB 3.98Å |
| 181 | P | 93.9 | Very high | 93 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | trans | -58.3 | 151.5 | 178.1 | -25 | 34.8 | 0 | 0 | 0 | 113.2 | K183 E184 | P181-K183 PolarHBondContact O-N 2.92Å; P181-K183 VanDerWaalsContact O-N 3.16Å; P181-E184 HydrophobicContact CB-CB 4.3Å; P181-E184 HydrophobicContact CB-CG 4.26Å; P181-E184 HydrophobicContact CG-CG 4.42Å; P181-E184 PolarHBondContact O-N 2.92Å | ||
| 182 | E | 89.8 | Confident | 92.8 | Very high | 176 Ų | 176 | 68 Ų | 68 | 82% | 0.822 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -32.5 | -175.2 | -59.1 | -170.8 | 145.9 | 0 | 0 | 114.3 | ||
| 183 | K | 91.2 | Very high | 92.7 | Very high | 112 Ų | 112 | 67.9 Ų | 67.9 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1 | -179.8 | -69.4 | -171.5 | -179.8 | -176.9 | 0 | 113.4 | Y97 W98 P181 | Y97-K183 WeakPolarHBondContact CA-O 3.47Å; Y97-K183 WeakPolarHBondContact CB-O 3.46Å; Y97-K183 HydrophobicContact CD2-CB 4.46Å; Y97-K183 HydrophobicContact CD2-CG 4.37Å; W98-K183 PolarHBondContact N-O 3.2Å; P181-K183 PolarHBondContact O-N 2.92Å; P181-K183 VanDerWaalsContact O-N 3.16Å |
| 184 | E | 93.9 | Very high | 92.6 | Very high | 88 Ų | 88 | 64 Ų | 64 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | trans | -118.1 | 157.6 | -178.3 | -67.1 | -176.3 | -179.7 | 0 | 0 | 111.8 | V180 P181 Y186 | V180-E184 HydrophobicContact CG1-CB 4.5Å; P181-E184 HydrophobicContact CB-CB 4.3Å; P181-E184 HydrophobicContact CB-CG 4.26Å; P181-E184 HydrophobicContact CG-CG 4.42Å; P181-E184 PolarHBondContact O-N 2.92Å; E184-Y186 HydrophobicContact CB-CD1 4.32Å; E184-Y186 HydrophobicContact CB-CE1 4.33Å; E184-Y186 WeakPolarHBondContact OE2-CE1 3.43Å | ||
| 185 | C | 96.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | trans | -139.9 | 108.7 | 172.8 | -174 | 0 | 0 | 0 | 0 | 112 | W98 C105 W108 | W98-C185 HydrophobicContact CB-CB 3.99Å; W98-C185 HydrophobicContact CD2-CB 3.77Å; W98-C185 HydrophobicContact CE3-CB 3.93Å; W98-C185 HydrophobicContact CG-CB 3.78Å; C105-C185 WeakPolarHBondContact CA-SG 3.39Å; C105-C185 HydrophobicContact CB-CB 3.87Å; C105-C185 WeakPolarHBondContact CB-SG 3.46Å; C105-C185 WeakPolarHBondContact SG-CA 3.32Å; C105-C185 WeakPolarHBondContact SG-CB 3.42Å; C105-C185 CovalentContact SG-SG 2.03Å; C105-C185 PolarHBondContact SG-SG 3.38Å; W108-C185 VanDerWaalsContact CE3-SG 3.51Å; W108-C185 HydrophobicContact CZ3-CB 4.12Å; W108-C185 VanDerWaalsContact CZ3-SG 3.52Å | ||
| 186 | Y | 95.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -152.7 | 165 | 174.5 | 64.7 | -95.2 | 0 | 0 | 0 | 110.4 | L109 T179 V180 E184 Q188 S191 | L109-Y186 VanDerWaalsContact CD1-C 3.49Å; T179-Y186 PolarHBondContact O-OH 2.88Å; V180-Y186 HydrophobicContact CB-CE1 4.39Å; V180-Y186 HydrophobicContact CG1-CD1 4.01Å; V180-Y186 HydrophobicContact CG1-CE1 3.87Å; V180-Y186 HydrophobicContact CG2-CD2 4.21Å; V180-Y186 HydrophobicContact CG2-CE1 4.37Å; V180-Y186 HydrophobicContact CG2-CE2 3.84Å; E184-Y186 HydrophobicContact CB-CD1 4.32Å; E184-Y186 HydrophobicContact CB-CE1 4.33Å; E184-Y186 WeakPolarHBondContact OE2-CE1 3.43Å; Y186-Q188 PolarHBondContact O-N 2.95Å; Y186-S191 WeakPolarHBondContact CE2-OG 3.34Å | ||
| 187 | I | 95.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -75.2 | 117.7 | -179.9 | -68.7 | 176.3 | 0 | 0 | 0 | 110.5 | L109 Y113 I168 F189 F190 | L109-I187 HydrophobicContact CB-CG1 4.24Å; L109-I187 HydrophobicContact CD1-CG1 3.99Å; L109-I187 HydrophobicContact CD2-CG1 4.29Å; L109-I187 HydrophobicContact CG-CG1 4.41Å; Y113-I187 HydrophobicContact CD1-CD1 4.03Å; Y113-I187 HydrophobicContact CD2-CD1 3.68Å; Y113-I187 HydrophobicContact CE1-CD1 3.86Å; Y113-I187 HydrophobicContact CE2-CD1 3.48Å; Y113-I187 VanDerWaalsContact CE2-CD1 3.48Å; Y113-I187 HydrophobicContact CE2-CG1 4.48Å; Y113-I187 HydrophobicContact CG-CD1 3.95Å; I168-I187 HydrophobicContact CD1-CD1 3.63Å; I168-I187 HydrophobicContact CD1-CG1 4.28Å; I168-I187 HydrophobicContact CG1-CD1 3.88Å; I168-I187 HydrophobicContact CG1-CG1 4.14Å; I168-I187 HydrophobicContact CG1-CG2 4.39Å; I187-F189 VanDerWaalsContact C-N 3.31Å; I187-F189 HydrophobicContact CG2-CD1 3.44Å; I187-F189 VanDerWaalsContact CG2-CD1 3.44Å; I187-F189 HydrophobicContact CG2-CD2 3.99Å; I187-F189 HydrophobicContact CG2-CE1 3.28Å; I187-F189 HydrophobicContact CG2-CE2 3.86Å; I187-F189 HydrophobicContact CG2-CG 3.79Å; I187-F189 HydrophobicContact CG2-CZ 3.51Å; I187-F189 PolarHBondContact O-N 2.94Å; I187-F190 HydrophobicContact CB-CB 4.28Å; I187-F190 HydrophobicContact CB-CD2 3.77Å; I187-F190 HydrophobicContact CB-CE2 4.37Å; I187-F190 HydrophobicContact CB-CG 4.05Å; I187-F190 HydrophobicContact CD1-CD2 4.04Å; I187-F190 HydrophobicContact CD1-CE2 3.79Å; I187-F190 HydrophobicContact CD1-CZ 4.49Å; I187-F190 HydrophobicContact CG1-CD2 4.4Å; I187-F190 HydrophobicContact CG2-CB 4.34Å; I187-F190 HydrophobicContact CG2-CD1 4.29Å; I187-F190 HydrophobicContact CG2-CD2 4Å; I187-F190 HydrophobicContact CG2-CE2 4.45Å; I187-F190 HydrophobicContact CG2-CG 3.92Å; I187-F190 WeakPolarHBondContact O-CB 3.44Å; I187-F190 PolarHBondContact O-N 3.2Å | ||
| 188 | Q | 93.4 | Very high | 93 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -55.9 | -37.7 | -175.2 | -177.2 | 163.3 | -36.9 | 0 | 0 | 114.4 | G177 T179 V180 Y186 F190 S191 | G177-Q188 PolarHBondContact O-NE2 2.94Å; T179-Q188 WeakPolarHBondContact OG1-CG 3.48Å; V180-Q188 HydrophobicContact CG2-CB 3.98Å; Y186-Q188 PolarHBondContact O-N 2.95Å; Q188-F190 PolarHBondContact O-N 3.32Å; Q188-S191 PolarHBondContact O-N 3.14Å; Q188-S191 PolarHBondContact O-OG 2.84Å |
| 189 | F | 91.4 | Very high | 93 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -76.8 | -6.1 | 178.5 | 63.3 | -96.6 | 0 | 0 | 0 | 114.2 | W164 A167 I168 W171 I187 V195 | W164-F189 HydrophobicContact CE3-CZ 4.38Å; W164-F189 HydrophobicContact CZ3-CE2 4.4Å; W164-F189 HydrophobicContact CZ3-CZ 4.19Å; A167-F189 HydrophobicContact CB-CE1 3.75Å; A167-F189 HydrophobicContact CB-CZ 3.97Å; A167-F189 WeakPolarHBondContact O-CE1 3.34Å; I168-F189 HydrophobicContact CG1-CE1 3.9Å; I168-F189 HydrophobicContact CG1-CZ 4.17Å; W171-F189 HydrophobicContact CB-CD1 4.32Å; W171-F189 HydrophobicContact CD2-CB 3.93Å; W171-F189 HydrophobicContact CG-CB 4.1Å; W171-F189 HydrophobicContact CG-CD1 4.25Å; W171-F189 HydrophobicContact CZ2-CB 4.22Å; I187-F189 VanDerWaalsContact C-N 3.31Å; I187-F189 HydrophobicContact CG2-CD1 3.44Å; I187-F189 VanDerWaalsContact CG2-CD1 3.44Å; I187-F189 HydrophobicContact CG2-CD2 3.99Å; I187-F189 HydrophobicContact CG2-CE1 3.28Å; I187-F189 HydrophobicContact CG2-CE2 3.86Å; I187-F189 HydrophobicContact CG2-CG 3.79Å; I187-F189 HydrophobicContact CG2-CZ 3.51Å; I187-F189 PolarHBondContact O-N 2.94Å; F189-V195 HydrophobicContact CD2-CG1 4.12Å |
| 190 | F | 92.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -88.5 | -1.2 | 173.5 | -73.4 | -11.2 | 0 | 0 | 0 | 114.4 | Y113 W164 I187 Q188 N192 T196 T199 | Y113-F190 AromaticContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CZ 4.22Å; Y113-F190 AromaticContact CZ-CE2 3.99Å; W164-F190 AromaticContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CZ3-CE1 4.43Å; W164-F190 AromaticContact CZ3-CZ 3.75Å; W164-F190 HydrophobicContact CZ3-CZ 3.75Å; I187-F190 HydrophobicContact CB-CB 4.28Å; I187-F190 HydrophobicContact CB-CD2 3.77Å; I187-F190 HydrophobicContact CB-CE2 4.37Å; I187-F190 HydrophobicContact CB-CG 4.05Å; I187-F190 HydrophobicContact CD1-CD2 4.04Å; I187-F190 HydrophobicContact CD1-CE2 3.79Å; I187-F190 HydrophobicContact CD1-CZ 4.49Å; I187-F190 HydrophobicContact CG1-CD2 4.4Å; I187-F190 HydrophobicContact CG2-CB 4.34Å; I187-F190 HydrophobicContact CG2-CD1 4.29Å; I187-F190 HydrophobicContact CG2-CD2 4Å; I187-F190 HydrophobicContact CG2-CE2 4.45Å; I187-F190 HydrophobicContact CG2-CG 3.92Å; I187-F190 WeakPolarHBondContact O-CB 3.44Å; I187-F190 PolarHBondContact O-N 3.2Å; Q188-F190 PolarHBondContact O-N 3.32Å; F190-N192 PolarHBondContact O-N 3.49Å; F190-T196 VanDerWaalsContact CA-OG1 3.24Å; F190-T196 WeakPolarHBondContact CA-OG1 3.36Å; F190-T196 HydrophobicContact CB-CG2 4.17Å; F190-T196 WeakPolarHBondContact CB-OG1 3.15Å; F190-T196 HydrophobicContact CD1-CG2 3.99Å; F190-T196 HydrophobicContact CD2-CG2 4.02Å; F190-T196 HydrophobicContact CE1-CG2 4.31Å; F190-T196 HydrophobicContact CE2-CG2 4.35Å; F190-T196 HydrophobicContact CG-CG2 3.83Å; F190-T196 HydrophobicContact CZ-CG2 4.47Å; F190-T196 PolarHBondContact O-OG1 3.02Å; F190-T199 HydrophobicContact CE1-CG2 3.98Å; F190-T199 WeakPolarHBondContact CE1-OG1 3.4Å; F190-T199 WeakPolarHBondContact CZ-OG1 3.26Å |
| 191 | S | 88 | Confident | 93.2 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.1 | -21 | 167.9 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | Y186 Q188 | Y186-S191 WeakPolarHBondContact CE2-OG 3.34Å; Q188-S191 PolarHBondContact O-N 3.14Å; Q188-S191 PolarHBondContact O-OG 2.84Å |
| 192 | N | 90.6 | Very high | 93.2 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -96 | 107.6 | 169.1 | -175.7 | -32.1 | 0 | 0 | 0 | 110.3 | F190 A194 V195 T196 | F190-N192 PolarHBondContact O-N 3.49Å; N192-A194 PolarHBondContact O-N 2.85Å; N192-A194 VanDerWaalsContact O-N 3.14Å; N192-A194 WeakPolarHBondContact OD1-CB 3.37Å; N192-A194 PolarHBondContact OD1-N 2.94Å; N192-V195 HydrophobicContact CB-CB 4.26Å; N192-V195 HydrophobicContact CB-CG2 3.91Å; N192-V195 WeakPolarHBondContact O-CB 3.47Å; N192-V195 PolarHBondContact O-N 3.41Å; N192-T196 PolarHBondContact O-N 3.43Å; N192-T196 VanDerWaalsContact O-N 3.1Å; N192-T196 PolarHBondContact O-OG1 2.99Å |
| 193 | A | 90.8 | Very high | 93.4 | Very high | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.6 | -31.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T196 F197 T447 | A193-T196 PolarHBondContact O-N 3.48Å; A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 2.95Å; A193-T447 HydrophobicContact CB-CG2 4.25Å; A193-T447 WeakPolarHBondContact O-CG2 3.29Å |
| 194 | A | 91.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 55% | 0.554 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -69.5 | -33.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N192 G198 | N192-A194 PolarHBondContact O-N 2.85Å; N192-A194 VanDerWaalsContact O-N 3.14Å; N192-A194 WeakPolarHBondContact OD1-CB 3.37Å; N192-A194 PolarHBondContact OD1-N 2.94Å; A194-G198 PolarHBondContact O-N 3.5Å |
| 195 | V | 93.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 38% | 0.376 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.9 | -47.6 | 171.4 | 178 | 0 | 0 | 0 | 0 | 109.7 | F189 N192 F197 G198 T199 | F189-V195 HydrophobicContact CD2-CG1 4.12Å; N192-V195 HydrophobicContact CB-CB 4.26Å; N192-V195 HydrophobicContact CB-CG2 3.91Å; N192-V195 WeakPolarHBondContact O-CB 3.47Å; N192-V195 PolarHBondContact O-N 3.41Å; V195-F197 PolarHBondContact O-N 3.32Å; V195-G198 PolarHBondContact O-N 3Å; V195-G198 VanDerWaalsContact O-N 3.16Å; V195-T199 WeakPolarHBondContact O-CG2 3.47Å; V195-T199 PolarHBondContact O-N 2.96Å |
| 196 | T | 93.6 | Very high | 93.6 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56 | -48.7 | 178.1 | -45.2 | 0 | 0 | 0 | 0 | 111.3 | F190 N192 A193 T199 A200 V443 | F190-T196 VanDerWaalsContact CA-OG1 3.24Å; F190-T196 WeakPolarHBondContact CA-OG1 3.36Å; F190-T196 HydrophobicContact CB-CG2 4.17Å; F190-T196 WeakPolarHBondContact CB-OG1 3.15Å; F190-T196 HydrophobicContact CD1-CG2 3.99Å; F190-T196 HydrophobicContact CD2-CG2 4.02Å; F190-T196 HydrophobicContact CE1-CG2 4.31Å; F190-T196 HydrophobicContact CE2-CG2 4.35Å; F190-T196 HydrophobicContact CG-CG2 3.83Å; F190-T196 HydrophobicContact CZ-CG2 4.47Å; F190-T196 PolarHBondContact O-OG1 3.02Å; N192-T196 PolarHBondContact O-N 3.43Å; N192-T196 VanDerWaalsContact O-N 3.1Å; N192-T196 PolarHBondContact O-OG1 2.99Å; A193-T196 PolarHBondContact O-N 3.48Å; T196-T199 PolarHBondContact O-N 3.31Å; T196-T199 PolarHBondContact O-OG1 2.96Å; T196-A200 PolarHBondContact O-N 3.34Å; T196-V443 HydrophobicContact CG2-CG1 3.85Å; T196-V443 HydrophobicContact CG2-CG2 4.45Å |
| 197 | F | 94.8 | Very high | 93.6 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 23% | 0.228 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | 176.3 | 179.4 | -121.3 | 0 | 0 | 0 | 113.3 | A193 V195 T199 A200 I201 Y205 V443 L444 T447 | A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 2.95Å; V195-F197 PolarHBondContact O-N 3.32Å; F197-T199 VanDerWaalsContact C-N 3.32Å; F197-T199 PolarHBondContact O-N 3.21Å; F197-A200 WeakPolarHBondContact O-CB 3.29Å; F197-A200 PolarHBondContact O-N 2.89Å; F197-A200 VanDerWaalsContact O-N 3.15Å; F197-I201 HydrophobicContact CD1-CD1 4.04Å; F197-I201 HydrophobicContact CE1-CD1 3.64Å; F197-I201 HydrophobicContact CE1-CG1 4.33Å; F197-I201 HydrophobicContact CE2-CD1 4.32Å; F197-I201 HydrophobicContact CE2-CG1 4.1Å; F197-I201 HydrophobicContact CZ-CD1 3.78Å; F197-I201 HydrophobicContact CZ-CG1 4Å; F197-I201 WeakPolarHBondContact O-CG1 3.48Å; F197-I201 PolarHBondContact O-N 2.87Å; F197-Y205 HydrophobicContact CE2-CE2 4.18Å; F197-V443 HydrophobicContact CB-CG1 4.19Å; F197-L444 HydrophobicContact CD2-CB 4.28Å; F197-L444 HydrophobicContact CD2-CD1 4.35Å; F197-L444 HydrophobicContact CE1-CD1 4.31Å; F197-L444 HydrophobicContact CE2-CB 4.01Å; F197-L444 HydrophobicContact CE2-CD1 3.66Å; F197-L444 HydrophobicContact CE2-CG 4.35Å; F197-L444 HydrophobicContact CZ-CD1 3.64Å; F197-T447 HydrophobicContact CB-CG2 3.39Å; F197-T447 HydrophobicContact CD1-CG2 4.14Å; F197-T447 HydrophobicContact CG-CG2 3.86Å |
| 198 | G | 95 | Very high | 93.6 | Very high | 37 Ų | 37 | 41 Ų | 41 | 38% | 0.381 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.3 | -43.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A194 V195 I201 A202 | A194-G198 PolarHBondContact O-N 3.5Å; V195-G198 PolarHBondContact O-N 3Å; V195-G198 VanDerWaalsContact O-N 3.16Å; G198-I201 PolarHBondContact O-N 3.28Å; G198-A202 PolarHBondContact O-N 3.07Å |
| 199 | T | 94.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 173.9 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | F190 V195 T196 F197 I201 A202 A203 | F190-T199 HydrophobicContact CE1-CG2 3.98Å; F190-T199 WeakPolarHBondContact CE1-OG1 3.4Å; F190-T199 WeakPolarHBondContact CZ-OG1 3.26Å; V195-T199 WeakPolarHBondContact O-CG2 3.47Å; V195-T199 PolarHBondContact O-N 2.96Å; T196-T199 PolarHBondContact O-N 3.31Å; T196-T199 PolarHBondContact O-OG1 2.96Å; F197-T199 VanDerWaalsContact C-N 3.32Å; F197-T199 PolarHBondContact O-N 3.21Å; T199-I201 VanDerWaalsContact C-N 3.31Å; T199-I201 PolarHBondContact O-N 3.21Å; T199-A202 PolarHBondContact O-N 3.01Å; T199-A203 VanDerWaalsContact O-CB 3.26Å; T199-A203 WeakPolarHBondContact O-CB 3.35Å; T199-A203 PolarHBondContact O-N 3.44Å |
| 200 | A | 95.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T196 F197 F204 Y205 V443 | T196-A200 PolarHBondContact O-N 3.34Å; F197-A200 WeakPolarHBondContact O-CB 3.29Å; F197-A200 PolarHBondContact O-N 2.89Å; F197-A200 VanDerWaalsContact O-N 3.15Å; A200-F204 WeakPolarHBondContact O-CA 3.3Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 2.91Å; A200-Y205 HydrophobicContact CB-CD2 4.47Å; A200-Y205 HydrophobicContact CB-CE2 4.32Å; A200-Y205 WeakPolarHBondContact O-CD2 3.25Å; A200-Y205 PolarHBondContact O-N 3.33Å; A200-V443 HydrophobicContact CB-CG1 4.02Å |
| 201 | I | 95.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -58.6 | -50.2 | 172 | -69.4 | 165.8 | 0 | 0 | 0 | 110.5 | F197 G198 T199 Y205 L206 | F197-I201 HydrophobicContact CD1-CD1 4.04Å; F197-I201 HydrophobicContact CE1-CD1 3.64Å; F197-I201 HydrophobicContact CE1-CG1 4.33Å; F197-I201 HydrophobicContact CE2-CD1 4.32Å; F197-I201 HydrophobicContact CE2-CG1 4.1Å; F197-I201 HydrophobicContact CZ-CD1 3.78Å; F197-I201 HydrophobicContact CZ-CG1 4Å; F197-I201 WeakPolarHBondContact O-CG1 3.48Å; F197-I201 PolarHBondContact O-N 2.87Å; G198-I201 PolarHBondContact O-N 3.28Å; T199-I201 VanDerWaalsContact C-N 3.31Å; T199-I201 PolarHBondContact O-N 3.21Å; I201-Y205 HydrophobicContact CG1-CD2 4.48Å; I201-Y205 PolarHBondContact O-N 3.32Å; I201-L206 HydrophobicContact CG2-CD1 4.17Å; I201-L206 HydrophobicContact CG2-CG 4.1Å; I201-L206 WeakPolarHBondContact O-CB 3.43Å; I201-L206 WeakPolarHBondContact O-CG 3.43Å; I201-L206 PolarHBondContact O-N 3.11Å |
| 202 | A | 94.4 | Very high | 94.1 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -69.9 | -42.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G198 T199 P207 | G198-A202 PolarHBondContact O-N 3.07Å; T199-A202 PolarHBondContact O-N 3.01Å; A202-P207 VanDerWaalsContact O-CD 3.25Å; A202-P207 WeakPolarHBondContact O-CD 3.28Å |
| 203 | A | 93.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -91.8 | -21.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | W164 T199 | W164-A203 HydrophobicContact CZ2-CB 3.92Å; T199-A203 VanDerWaalsContact O-CB 3.26Å; T199-A203 WeakPolarHBondContact O-CB 3.35Å; T199-A203 PolarHBondContact O-N 3.44Å |
| 204 | F | 94.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -124.1 | -61.6 | 180 | 178.8 | -107.1 | 0 | 0 | 0 | 113.4 | A200 L206 P207 V208 F432 W436 N440 | A200-F204 WeakPolarHBondContact O-CA 3.3Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 2.91Å; F204-L206 PolarHBondContact O-N 2.96Å; F204-P207 WeakPolarHBondContact O-CD 3.4Å; F204-V208 HydrophobicContact CD2-CG2 3.87Å; F204-V208 HydrophobicContact CE1-CG2 4.25Å; F204-V208 HydrophobicContact CE2-CG2 3.52Å; F204-V208 HydrophobicContact CG-CG2 4.37Å; F204-V208 HydrophobicContact CZ-CG2 3.74Å; F204-V208 WeakPolarHBondContact O-CB 3.34Å; F204-V208 VanDerWaalsContact O-CG2 3.32Å; F204-V208 WeakPolarHBondContact O-CG2 3.43Å; F204-V208 PolarHBondContact O-N 3.5Å; F204-F432 HydrophobicContact CD2-CE1 4.16Å; F204-F432 AromaticContact CD2-CZ 3.96Å; F204-F432 HydrophobicContact CD2-CZ 3.96Å; F204-F432 AromaticContact CE2-CE1 3.85Å; F204-F432 HydrophobicContact CE2-CE1 3.85Å; F204-F432 AromaticContact CE2-CZ 3.97Å; F204-F432 HydrophobicContact CE2-CZ 3.97Å; F204-W436 HydrophobicContact CD2-CB 4.11Å; F204-W436 AromaticContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CE2-CB 3.44Å; F204-W436 VanDerWaalsContact CE2-CB 3.44Å; F204-W436 HydrophobicContact CE2-CE3 4.4Å; F204-W436 HydrophobicContact CE2-CG 4.46Å; F204-W436 HydrophobicContact CZ-CB 4.06Å; F204-N440 VanDerWaalsContact CB-OD1 3.29Å; F204-N440 WeakPolarHBondContact CB-OD1 3.46Å; F204-N440 HydrophobicContact CD1-CB 3.47Å; F204-N440 VanDerWaalsContact CD1-CB 3.47Å; F204-N440 WeakPolarHBondContact CD1-OD1 3.47Å; F204-N440 HydrophobicContact CE1-CB 3.67Å; F204-N440 HydrophobicContact CG-CB 4.22Å; F204-N440 VanDerWaalsContact CG-CG 3.46Å; F204-N440 WeakPolarHBondContact CG-OD1 3.02Å |
| 205 | Y | 95.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -65.2 | -45.6 | -168.9 | -69.7 | -82.3 | 0 | 0 | 0 | 113 | F197 A200 I201 V208 I209 N440 | F197-Y205 HydrophobicContact CE2-CE2 4.18Å; A200-Y205 HydrophobicContact CB-CD2 4.47Å; A200-Y205 HydrophobicContact CB-CE2 4.32Å; A200-Y205 WeakPolarHBondContact O-CD2 3.25Å; A200-Y205 PolarHBondContact O-N 3.33Å; I201-Y205 HydrophobicContact CG1-CD2 4.48Å; I201-Y205 PolarHBondContact O-N 3.32Å; Y205-V208 PolarHBondContact O-N 3.42Å; Y205-I209 WeakPolarHBondContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CD1 3.38Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.34Å; Y205-I209 PolarHBondContact O-N 2.98Å; Y205-N440 HydrophobicContact CE2-CB 4.03Å; Y205-N440 VanDerWaalsContact OH-C 3.29Å; Y205-N440 PolarHBondContact OH-O 3.39Å; Y205-N440 VanDerWaalsContact OH-O 3.06Å |
| 206 | L | 95.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 47% | 0.466 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 176.3 | -72.6 | 176.8 | 0 | 0 | 0 | 112.1 | I201 F204 V208 I209 I210 | I201-L206 HydrophobicContact CG2-CD1 4.17Å; I201-L206 HydrophobicContact CG2-CG 4.1Å; I201-L206 WeakPolarHBondContact O-CB 3.43Å; I201-L206 WeakPolarHBondContact O-CG 3.43Å; I201-L206 PolarHBondContact O-N 3.11Å; F204-L206 PolarHBondContact O-N 2.96Å; L206-V208 PolarHBondContact O-N 3.22Å; L206-I209 PolarHBondContact O-N 3.27Å; L206-I210 VanDerWaalsContact O-CG1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.49Å |
| 207 | P | 95.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.3 | -46.9 | 169.1 | -33.5 | 38.3 | 0 | 0 | 0 | 114.6 | V120 L124 A202 F204 I210 M211 | V120-P207 HydrophobicContact CG1-CB 3.6Å; V120-P207 HydrophobicContact CG1-CG 3.96Å; L124-P207 HydrophobicContact CD1-CB 3.82Å; L124-P207 HydrophobicContact CD1-CG 4.06Å; L124-P207 HydrophobicContact CD2-CB 4.43Å; L124-P207 HydrophobicContact CG-CB 4.22Å; A202-P207 VanDerWaalsContact O-CD 3.25Å; A202-P207 WeakPolarHBondContact O-CD 3.28Å; F204-P207 WeakPolarHBondContact O-CD 3.4Å; P207-I210 PolarHBondContact O-N 3.23Å; P207-M211 HydrophobicContact CB-CE 4.42Å; P207-M211 VanDerWaalsContact O-CG 3.3Å; P207-M211 WeakPolarHBondContact O-CG 3.36Å; P207-M211 PolarHBondContact O-N 2.76Å |
| 208 | V | 94.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 179.1 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | F204 Y205 L206 I210 M211 I212 F432 V433 | F204-V208 HydrophobicContact CD2-CG2 3.87Å; F204-V208 HydrophobicContact CE1-CG2 4.25Å; F204-V208 HydrophobicContact CE2-CG2 3.52Å; F204-V208 HydrophobicContact CG-CG2 4.37Å; F204-V208 HydrophobicContact CZ-CG2 3.74Å; F204-V208 WeakPolarHBondContact O-CB 3.34Å; F204-V208 VanDerWaalsContact O-CG2 3.32Å; F204-V208 WeakPolarHBondContact O-CG2 3.43Å; F204-V208 PolarHBondContact O-N 3.5Å; Y205-V208 PolarHBondContact O-N 3.42Å; L206-V208 PolarHBondContact O-N 3.22Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 2.95Å; V208-M211 HydrophobicContact CG2-CE 4.35Å; V208-M211 PolarHBondContact O-N 3.33Å; V208-I212 HydrophobicContact CG1-CD1 3.63Å; V208-I212 HydrophobicContact CG1-CG1 4.35Å; V208-I212 WeakPolarHBondContact O-CB 3.4Å; V208-I212 VanDerWaalsContact O-CG1 3.28Å; V208-I212 WeakPolarHBondContact O-CG1 3.22Å; V208-I212 PolarHBondContact O-N 3.01Å; V208-F432 HydrophobicContact CG2-CD1 4.47Å; V208-F432 HydrophobicContact CG2-CE1 3.77Å; V208-V433 HydrophobicContact CG1-CG2 4.02Å; V208-V433 HydrophobicContact CG2-CG2 4.22Å |
| 209 | I | 95.8 | Very high | 92.8 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.9 | -70.1 | 163.5 | 0 | 0 | 0 | 110.5 | Y205 L206 I212 Q213 | Y205-I209 WeakPolarHBondContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CD1 3.38Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.34Å; Y205-I209 PolarHBondContact O-N 2.98Å; L206-I209 PolarHBondContact O-N 3.27Å; I209-I212 PolarHBondContact O-N 3.46Å; I209-Q213 WeakPolarHBondContact O-CB 3.33Å; I209-Q213 VanDerWaalsContact O-CG 3.3Å; I209-Q213 WeakPolarHBondContact O-CG 3.41Å; I209-Q213 PolarHBondContact O-N 2.67Å |
| 210 | I | 95.7 | Very high | 92.3 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 177.1 | -68 | 164.6 | 0 | 0 | 0 | 110.8 | L124 F128 L206 P207 V208 I212 Q213 L214 | L124-I210 HydrophobicContact CD2-CB 4.03Å; L124-I210 HydrophobicContact CD2-CG2 3.69Å; F128-I210 HydrophobicContact CE2-CG2 3.9Å; F128-I210 HydrophobicContact CZ-CG2 3.77Å; L206-I210 VanDerWaalsContact O-CG1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.49Å; P207-I210 PolarHBondContact O-N 3.23Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 2.95Å; I210-I212 PolarHBondContact O-N 3.22Å; I210-Q213 PolarHBondContact O-N 3.49Å; I210-L214 HydrophobicContact CG2-CD1 3.83Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 VanDerWaalsContact O-CG 3.26Å; I210-L214 WeakPolarHBondContact O-CG 3.4Å; I210-L214 PolarHBondContact O-N 2.9Å |
| 211 | M | 92.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 178.8 | -70.1 | -172.8 | -69 | 0 | 0 | 112.4 | L123 L124 P207 V208 Y215 L429 F432 | L123-M211 HydrophobicContact CB-SD 3.78Å; L124-M211 HydrophobicContact CD2-CG 3.72Å; L124-M211 HydrophobicContact CD2-SD 4.46Å; L124-M211 HydrophobicContact CG-CG 4.29Å; L124-M211 HydrophobicContact CG-SD 4.4Å; P207-M211 HydrophobicContact CB-CE 4.42Å; P207-M211 VanDerWaalsContact O-CG 3.3Å; P207-M211 WeakPolarHBondContact O-CG 3.36Å; P207-M211 PolarHBondContact O-N 2.76Å; V208-M211 HydrophobicContact CG2-CE 4.35Å; V208-M211 PolarHBondContact O-N 3.33Å; M211-Y215 VanDerWaalsContact O-CB 3.26Å; M211-Y215 WeakPolarHBondContact O-CB 3Å; M211-Y215 PolarHBondContact O-N 2.96Å; M211-L429 HydrophobicContact CB-CD2 4.21Å; M211-L429 HydrophobicContact CE-CD2 4.46Å; M211-L429 HydrophobicContact CG-CD2 4.26Å; M211-L429 HydrophobicContact SD-CD2 3.46Å; M211-L429 WeakPolarHBondContact SD-CD2 3.46Å; M211-F432 HydrophobicContact CE-CD1 3.94Å; M211-F432 HydrophobicContact CE-CE1 3.64Å |
| 212 | I | 92.2 | Very high | 90.7 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.8 | -69.9 | 169.8 | 0 | 0 | 0 | 111.1 | V208 I209 I210 Y215 W216 | V208-I212 HydrophobicContact CG1-CD1 3.63Å; V208-I212 HydrophobicContact CG1-CG1 4.35Å; V208-I212 WeakPolarHBondContact O-CB 3.4Å; V208-I212 VanDerWaalsContact O-CG1 3.28Å; V208-I212 WeakPolarHBondContact O-CG1 3.22Å; V208-I212 PolarHBondContact O-N 3.01Å; I209-I212 PolarHBondContact O-N 3.46Å; I210-I212 PolarHBondContact O-N 3.22Å; I212-Y215 PolarHBondContact O-N 3Å; I212-W216 WeakPolarHBondContact O-CB 3.45Å; I212-W216 PolarHBondContact O-N 3.44Å |
| 213 | Q | 93.2 | Very high | 89.9 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 177.2 | -72.7 | 178.8 | 15 | 0 | 0 | 111.9 | I209 I210 Y215 W216 Q217 | I209-Q213 WeakPolarHBondContact O-CB 3.33Å; I209-Q213 VanDerWaalsContact O-CG 3.3Å; I209-Q213 WeakPolarHBondContact O-CG 3.41Å; I209-Q213 PolarHBondContact O-N 2.67Å; I210-Q213 PolarHBondContact O-N 3.49Å; Q213-Y215 VanDerWaalsContact C-N 3.33Å; Q213-Y215 PolarHBondContact O-N 2.66Å; Q213-W216 PolarHBondContact O-N 2.96Å; Q213-Q217 WeakPolarHBondContact O-CG 3.33Å; Q213-Q217 PolarHBondContact O-N 3.35Å |
| 214 | L | 92.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 176 | -68.4 | 171.4 | 0 | 0 | 0 | 111.2 | F128 Y131 I210 Q217 I218 | F128-L214 HydrophobicContact CD1-CD1 3.81Å; F128-L214 HydrophobicContact CD1-CD2 3.97Å; F128-L214 HydrophobicContact CD2-CD1 3.98Å; F128-L214 HydrophobicContact CE1-CD1 3.8Å; F128-L214 HydrophobicContact CE1-CD2 3.84Å; F128-L214 HydrophobicContact CE1-CG 4.38Å; F128-L214 HydrophobicContact CE2-CD1 3.97Å; F128-L214 HydrophobicContact CG-CD1 3.9Å; F128-L214 HydrophobicContact CZ-CD1 3.89Å; Y131-L214 HydrophobicContact CD1-CD2 4.09Å; Y131-L214 HydrophobicContact CD2-CD2 3.91Å; Y131-L214 HydrophobicContact CG-CD2 3.69Å; I210-L214 HydrophobicContact CG2-CD1 3.83Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 VanDerWaalsContact O-CG 3.26Å; I210-L214 WeakPolarHBondContact O-CG 3.4Å; I210-L214 PolarHBondContact O-N 2.9Å; L214-Q217 PolarHBondContact O-N 3.25Å; L214-I218 WeakPolarHBondContact O-CD1 3.29Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.04Å |
| 215 | Y | 87.6 | Confident | 87.4 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 177 | 177.8 | -108.3 | 0 | 0 | 0 | 112.3 | M211 I212 Q213 Q217 I218 S219 T422 M426 | M211-Y215 VanDerWaalsContact O-CB 3.26Å; M211-Y215 WeakPolarHBondContact O-CB 3Å; M211-Y215 PolarHBondContact O-N 2.96Å; I212-Y215 PolarHBondContact O-N 3Å; Q213-Y215 VanDerWaalsContact C-N 3.33Å; Q213-Y215 PolarHBondContact O-N 2.66Å; Y215-Q217 VanDerWaalsContact C-N 3.34Å; Y215-Q217 PolarHBondContact O-N 2.99Å; Y215-I218 PolarHBondContact O-N 3.43Å; Y215-S219 PolarHBondContact O-N 3Å; Y215-S219 PolarHBondContact O-OG 3.46Å; Y215-S219 VanDerWaalsContact O-OG 3.13Å; Y215-T422 HydrophobicContact CE2-CG2 4.39Å; Y215-M426 HydrophobicContact CE2-CB 3.92Å; Y215-M426 HydrophobicContact CE2-CG 4.12Å; Y215-M426 PolarHBondContact OH-SD 2.85Å |
| 216 | W | 89.1 | Confident | 86 | Confident | 149 Ų | 149 | 67.5 Ų | 67.5 | 56% | 0.564 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.3 | -43.4 | 175.2 | -177.2 | 82.8 | 0 | 0 | 0 | 111.9 | I212 Q213 S219 R220 | I212-W216 WeakPolarHBondContact O-CB 3.45Å; I212-W216 PolarHBondContact O-N 3.44Å; Q213-W216 PolarHBondContact O-N 2.96Å; W216-S219 PolarHBondContact O-N 2.99Å; W216-R220 VanDerWaalsContact CH2-NH1 3.34Å; W216-R220 WeakPolarHBondContact O-CB 3.24Å; W216-R220 PolarHBondContact O-N 3.11Å |
| 217 | Q | 89.6 | Confident | 84.3 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 175.9 | -64.5 | -72.2 | 14.7 | 0 | 0 | 112.3 | Y131 Q213 L214 Y215 S219 R220 A221 | Y131-Q217 HydrophobicContact CD2-CB 4.11Å; Y131-Q217 HydrophobicContact CE2-CB 3.76Å; Y131-Q217 HydrophobicContact CE2-CG 4.35Å; Q213-Q217 WeakPolarHBondContact O-CG 3.33Å; Q213-Q217 PolarHBondContact O-N 3.35Å; L214-Q217 PolarHBondContact O-N 3.25Å; Y215-Q217 VanDerWaalsContact C-N 3.34Å; Y215-Q217 PolarHBondContact O-N 2.99Å; Q217-S219 VanDerWaalsContact C-N 3.35Å; Q217-S219 PolarHBondContact O-N 3.24Å; Q217-R220 PolarHBondContact O-N 3.13Å; Q217-A221 WeakPolarHBondContact O-CB 3.36Å; Q217-A221 PolarHBondContact O-N 3.08Å |
| 218 | I | 86.8 | Confident | 82.5 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 172.6 | -72.6 | 157.9 | 0 | 0 | 0 | 110.6 | R130 Y131 V134 L214 Y215 A221 S222 T422 | R130-I218 HydrophobicContact CB-CD1 4.19Å; Y131-I218 HydrophobicContact CD2-CG1 4.46Å; V134-I218 HydrophobicContact CG2-CG2 4.35Å; L214-I218 WeakPolarHBondContact O-CD1 3.29Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.04Å; Y215-I218 PolarHBondContact O-N 3.43Å; I218-A221 PolarHBondContact O-N 3.21Å; I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 3.33Å; I218-T422 HydrophobicContact CG2-CG2 3.79Å |
| 219 | S | 83.8 | Confident | 80.8 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | Y215 W216 Q217 S222 K223 | Y215-S219 PolarHBondContact O-N 3Å; Y215-S219 PolarHBondContact O-OG 3.46Å; Y215-S219 VanDerWaalsContact O-OG 3.13Å; W216-S219 PolarHBondContact O-N 2.99Å; Q217-S219 VanDerWaalsContact C-N 3.35Å; Q217-S219 PolarHBondContact O-N 3.24Å; S219-S222 PolarHBondContact O-N 2.99Å; S219-K223 WeakPolarHBondContact O-CG 3.36Å; S219-K223 PolarHBondContact O-N 3.32Å |
| 220 | R | 85.2 | Confident | 78.8 | Confident | 147 Ų | 147 | 85.2 Ų | 85.2 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 175.9 | -174.3 | 176.1 | 178.5 | 170.5 | -2 | 111.5 | W216 Q217 S222 K223 S224 | W216-R220 VanDerWaalsContact CH2-NH1 3.34Å; W216-R220 WeakPolarHBondContact O-CB 3.24Å; W216-R220 PolarHBondContact O-N 3.11Å; Q217-R220 PolarHBondContact O-N 3.13Å; R220-S222 PolarHBondContact O-N 3.09Å; R220-K223 PolarHBondContact O-N 3.16Å; R220-S224 PolarHBondContact O-N 3.25Å; R220-S224 PolarHBondContact O-OG 2.87Å |
| 221 | A | 81.4 | Confident | 76.8 | Confident | 18 Ų | 18 | 91.4 Ų | 91.4 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V134 Q217 I218 S224 R225 | V134-A221 HydrophobicContact CG1-CB 3.83Å; Q217-A221 WeakPolarHBondContact O-CB 3.36Å; Q217-A221 PolarHBondContact O-N 3.08Å; I218-A221 PolarHBondContact O-N 3.21Å; A221-S224 PolarHBondContact O-OG 3.4Å; A221-S224 VanDerWaalsContact O-OG 3.07Å; A221-R225 WeakPolarHBondContact O-CG 3.26Å; A221-R225 PolarHBondContact O-N 3.13Å |
| 222 | S | 76.3 | Confident | 74.8 | Confident | 34 Ų | 34 | 100.5 Ų | 100.5 | 24% | 0.238 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | I218 S219 R220 V226 | I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 3.33Å; S219-S222 PolarHBondContact O-N 2.99Å; R220-S222 PolarHBondContact O-N 3.09Å; S222-V226 PolarHBondContact O-N 3.38Å |
| 223 | K | 76.7 | Confident | 72.8 | Confident | 159 Ų | 159 | 100.7 Ų | 100.7 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | 176.5 | -73.4 | 176.9 | 180 | -179.5 | 0 | 112.6 | S219 R220 V226 K227 | S219-K223 WeakPolarHBondContact O-CG 3.36Å; S219-K223 PolarHBondContact O-N 3.32Å; R220-K223 PolarHBondContact O-N 3.16Å; K223-V226 PolarHBondContact O-N 2.84Å; K223-K227 PolarHBondContact O-N 3.01Å |
| 224 | S | 69.5 | Low | 70.4 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 49% | 0.49 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | -179 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | R220 A221 V226 K227 K228 | R220-S224 PolarHBondContact O-N 3.25Å; R220-S224 PolarHBondContact O-OG 2.87Å; A221-S224 PolarHBondContact O-OG 3.4Å; A221-S224 VanDerWaalsContact O-OG 3.07Å; S224-V226 PolarHBondContact O-N 3.34Å; S224-K227 PolarHBondContact O-N 3.46Å; S224-K228 PolarHBondContact O-N 3.28Å |
| 225 | R | 66.7 | Low | 68 | Low | 120 Ų | 120 | 103.4 Ų | 103.4 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 173.1 | -69.9 | 176.7 | -170.1 | -77.5 | -0.3 | 111.5 | V134 A221 K227 K228 D229 | V134-R225 PolarHBondContact O-NH2 3.21Å; A221-R225 WeakPolarHBondContact O-CG 3.26Å; A221-R225 PolarHBondContact O-N 3.13Å; R225-K227 VanDerWaalsContact C-N 3.35Å; R225-K227 PolarHBondContact O-N 3.5Å; R225-K228 PolarHBondContact O-N 2.95Å; R225-K228 VanDerWaalsContact O-N 3.11Å; R225-D229 PolarHBondContact O-N 2.69Å |
| 226 | V | 65 | Low | 65.8 | Low | 48 Ų | 48 | 105.3 Ų | 105.3 | 29% | 0.291 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | S222 K223 S224 K228 N230 K419 | S222-V226 PolarHBondContact O-N 3.38Å; K223-V226 PolarHBondContact O-N 2.84Å; S224-V226 PolarHBondContact O-N 3.34Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.45Å; V226-N230 WeakPolarHBondContact O-CB 3.38Å; V226-N230 PolarHBondContact O-N 2.76Å; V226-K419 VanDerWaalsContact CG2-NZ 3.32Å |
| 227 | K | 60.2 | Low | 63.5 | Low | 137 Ų | 137 | 105.3 Ų | 105.3 | 60% | 0.596 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.3 | -25.6 | 175.2 | -165.9 | 172.5 | -177.5 | 176.7 | 0 | 112.7 | K223 S224 R225 R231 | K223-K227 PolarHBondContact O-N 3.01Å; S224-K227 PolarHBondContact O-N 3.46Å; R225-K227 VanDerWaalsContact C-N 3.35Å; R225-K227 PolarHBondContact O-N 3.5Å; K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 3.49Å |
| 228 | K | 58.6 | Low | 61.3 | Low | 172 Ų | 172 | 107.5 Ų | 107.5 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.3 | -42.5 | 174.4 | -163.6 | 171.2 | -176.5 | 175.9 | 0 | 112 | S224 R225 V226 R231 | S224-K228 PolarHBondContact O-N 3.28Å; R225-K228 PolarHBondContact O-N 2.95Å; R225-K228 VanDerWaalsContact O-N 3.11Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.45Å; K228-R231 PolarHBondContact O-N 2.87Å |
| 229 | D | 58.5 | Low | 59.1 | Low | 128 Ų | 128 | 115.4 Ų | 115.4 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.9 | -52.7 | 171.5 | -93.4 | -9.8 | 0 | 0 | 0 | 111.4 | R225 R231 K232 | R225-D229 PolarHBondContact O-N 2.69Å; D229-R231 PolarHBondContact O-N 3.22Å; D229-K232 PolarHBondContact O-N 3.35Å |
| 230 | N | 53.7 | Low | 57 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -7.9 | -179.4 | -74.6 | -17.2 | 0 | 0 | 0 | 114 | V226 P233 | V226-N230 WeakPolarHBondContact O-CB 3.38Å; V226-N230 PolarHBondContact O-N 2.76Å; N230-P233 WeakPolarHBondContact O-CD 3.48Å |
| 231 | R | 53.6 | Low | 54.7 | Low | 193 Ų | 193 | 121 Ų | 121 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -5.1 | 172.6 | -86.4 | 178.6 | 165.2 | -173.2 | -7.5 | 114 | K227 K228 D229 P233 | K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 3.49Å; K228-R231 PolarHBondContact O-N 2.87Å; D229-R231 PolarHBondContact O-N 3.22Å; R231-P233 WeakPolarHBondContact O-CD 3.26Å |
| 232 | K | 51.8 | Low | 52.6 | Low | 196 Ų | 196 | 127.8 Ų | 127.8 | 85% | 0.852 | 69% | 0.685 | S | S | * | * | trans | -102 | 69.8 | 167.1 | -77.1 | -164.2 | 168.8 | -165.1 | 0 | 113.3 | D229 | D229-K232 PolarHBondContact O-N 3.35Š| ||
| 233 | P | 48.7 | Very low | 50.9 | Low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | trans | -132 | 50.6 | 155 | 41.8 | -29.7 | 0 | 0 | 0 | 112.5 | N230 R231 | N230-P233 WeakPolarHBondContact O-CD 3.48Å; R231-P233 WeakPolarHBondContact O-CD 3.26Å | ||
| 234 | S | 43.6 | Very low | 48.9 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -152.9 | 76.2 | 159.8 | -158.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 235 | G | 41.5 | Very low | 47.2 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 122.2 | 158 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||
| 236 | S | 41.9 | Very low | 45.7 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.9 | 175.7 | 36.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 237 | N | 39.7 | Very low | 44.1 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.1 | 157.4 | -70.4 | -21.2 | 0 | 0 | 0 | 107.1 | E239 | N237-E239 PolarHBondContact O-N 2.03Å; N237-E239 VanDerWaalsContact O-N 3.15Å |
| 238 | P | 45.1 | Very low | 42.6 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 104.7 | 163.6 | 29 | -30.1 | 0 | 0 | 0 | 107.8 | ||||
| 239 | E | 39.9 | Very low | 41.4 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 133.7 | 175.3 | -161.4 | 161.8 | 133.6 | 0 | 0 | 109.6 | N237 L241 | N237-E239 PolarHBondContact O-N 2.03Å; N237-E239 VanDerWaalsContact O-N 3.15Å; E239-L241 PolarHBondContact O-N 2.96Å |
| 240 | P | 40.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.2 | -175.9 | -20.1 | 33.1 | 0 | 0 | 0 | 111.9 | L242 | P240-L242 PolarHBondContact O-N 3.03Š|
| 241 | L | 35.3 | Very low | 39.4 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.9 | 171.5 | -79 | 161.3 | 0 | 0 | 0 | 110.6 | E239 | E239-L241 PolarHBondContact O-N 2.96Š|
| 242 | L | 38.4 | Very low | 38.3 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -110.2 | 140.4 | 161.3 | -74.6 | 175 | 0 | 0 | 0 | 109.4 | P240 | P240-L242 PolarHBondContact O-N 3.03Š| ||
| 243 | P | 39.5 | Very low | 37.7 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 129.2 | -169.1 | 32.4 | -34.3 | 0 | 0 | 0 | 113.6 | ||||
| 244 | G | 35.8 | Very low | 37 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 96.6 | 106.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 245 | Q | 33.6 | Very low | 36.4 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | -148.8 | 146.8 | 122.4 | -114.8 | 175.5 | 11.5 | 0 | 0 | 111.1 | |||||
| 246 | R | 33.9 | Very low | 36.1 | Very low | 230 Ų | 230 | 149.9 Ų | 149.9 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -107.4 | 132.2 | -175.1 | -179.4 | -167.1 | -164.3 | -176.1 | 6.8 | 108.7 | ||||
| 247 | R | 32.1 | Very low | 35.6 | Very low | 235 Ų | 235 | 152.2 Ų | 152.2 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -158.9 | 156.4 | 157.7 | -116.4 | 165.5 | -171.9 | 176 | 2.3 | 112.3 | ||||
| 248 | E | 29.7 | Very low | 35.5 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | trans | -86.1 | 171 | -159.4 | -67.1 | 107 | 134.5 | 0 | 0 | 116.9 | ||||
| 249 | S | 32.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -87.7 | 134.7 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 250 | T | 30.8 | Very low | 35 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -147.3 | 134.7 | 154.6 | -15.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 251 | P | 38.4 | Very low | 34.5 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | trans | -108.1 | 163.5 | -177 | 39 | -33.7 | 0 | 0 | 0 | 114.4 | ||||
| 252 | K | 31.8 | Very low | 34.3 | Very low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 70.5 | 165.1 | 163 | -78.2 | 178.7 | -178 | -178.4 | 0 | 115.2 | ||||
| 253 | P | 38.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | cis | -120.3 | 176 | 13.1 | 42 | -28.9 | 0 | 0 | 0 | 117 | ||||
| 254 | N | 34.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -103.9 | 146.4 | 167 | 178.9 | 61 | 0 | 0 | 0 | 108.3 | ||||
| 255 | N | 30.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -158.4 | 155.2 | 163.6 | -124 | -5.2 | 0 | 0 | 0 | 113.1 | ||||
| 256 | N | 35 | Very low | 33.2 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 65% | 0.652 | 79% | 0.792 | S | S | * | * | trans | -94 | 158.8 | -173.4 | -51.1 | -30.6 | 0 | 0 | 0 | 111.9 | ||||
| 257 | N | 32.3 | Very low | 33.2 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | 177 | 160.6 | 112.1 | -86.8 | -13.4 | 0 | 0 | 0 | 113.9 | |||||
| 258 | V | 37.7 | Very low | 33.1 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -132.3 | 138.5 | 179.1 | 169.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 259 | P | 45.6 | Very low | 33.5 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -158.2 | -170 | 83.9 | 42.7 | -20.3 | 0 | 0 | 0 | 117.2 | |||||
| 260 | G | 28.8 | Very low | 33.4 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | 102.8 | 98.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 261 | E | 28.6 | Very low | 33.7 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | 69.2 | 111.1 | 62 | -63 | -167.6 | 114.5 | 0 | 0 | 114.4 | |||||
| 262 | D | 31.1 | Very low | 33.5 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | 179 | 159.8 | 124 | -108.1 | -28.3 | 0 | 0 | 0 | 113.3 | |||||
| 263 | G | 30.5 | Very low | 33.5 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 100.4 | 103.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 264 | A | 32.2 | Very low | 33.1 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | trans | -67.4 | 170.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 265 | H | 32.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | -173.8 | 155.6 | 50.1 | -128.7 | -72 | 0 | 0 | 0 | 113.1 | |||||
| 266 | S | 30.6 | Very low | 33 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | trans | 50.3 | 145.1 | 141.8 | -76.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 267 | Q | 33.6 | Very low | 32.9 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | cis | -171.5 | 177.6 | -14.4 | -136.7 | 158.4 | -23 | 0 | 0 | 112 | ||||
| 268 | N | 30.7 | Very low | 33 | Very low | 126 Ų | 126 | 129 Ų | 129 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | 76.3 | 118.4 | 168.3 | -54.5 | -10.7 | 0 | 0 | 0 | 116 | ||||
| 269 | Q | 36.8 | Very low | 32.7 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | 74.7 | 140.1 | 51.7 | -62.5 | 175.8 | -2.3 | 0 | 0 | 112.7 | |||||
| 270 | T | 31.6 | Very low | 32 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | cis | -123 | 144.5 | 16 | 42.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 271 | A | 36.8 | Very low | 32.1 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | 67.9 | 132.1 | 70 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 272 | D | 33.7 | Very low | 32.1 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | cis | -139.8 | -165.2 | -9.9 | -76.9 | -44.1 | 0 | 0 | 0 | 108.1 | ||||
| 273 | D | 32.4 | Very low | 32.1 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | cis | -158.2 | 174.5 | 14.4 | -168.4 | 40.1 | 0 | 0 | 0 | 107.3 | ||||
| 274 | G | 30.9 | Very low | 32.1 | Very low | 55 Ų | 55 | 133.3 Ų | 133.3 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | cis | 175.7 | -159.5 | 8.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 275 | A | 33.2 | Very low | 31.9 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 88% | 0.884 | 75% | 0.751 | S | S | * | * | trans | 35.6 | 113.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 276 | N | 28.5 | Very low | 31.8 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | -156 | -176.5 | 174.8 | -162.4 | -3.2 | 0 | 0 | 0 | 110.9 | ||||
| 277 | Q | 33.5 | Very low | 31.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | trans | 87.3 | 151.1 | -179.9 | -56.7 | -179.6 | 0.4 | 0 | 0 | 116.1 | ||||
| 278 | H | 34.3 | Very low | 32.2 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | cis | -162.7 | 167.7 | -12 | -114.2 | -61.4 | 0 | 0 | 0 | 107.2 | ||||
| 279 | D | 31.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -128.9 | -110.6 | -10.3 | -167.5 | 57.1 | 0 | 0 | 0 | 110.6 | ||||
| 280 | G | 29.8 | Very low | 32.1 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 129.8 | 146.5 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 281 | K | 31.4 | Very low | 32 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | cis | -167.7 | 166.8 | -23.9 | -159.3 | -175 | 178.5 | 174.8 | 0 | 108.1 | ||||
| 282 | L | 29.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 72.7 | 154.3 | 163.8 | -60.3 | 167.3 | 0 | 0 | 0 | 117.4 | ||||
| 283 | Q | 31.5 | Very low | 31.5 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | cis | -158 | -167.7 | -22.9 | -133.6 | 176.2 | 9.3 | 0 | 0 | 113.3 | ||||
| 284 | N | 28.5 | Very low | 31.3 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -84.8 | 160.8 | -165.2 | -86.7 | -22.7 | 0 | 0 | 0 | 119.1 | ||||
| 285 | G | 29.5 | Very low | 31.2 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 122.5 | 158.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 286 | K | 28.7 | Very low | 31 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | cis | -165 | 167.6 | -13.4 | -158.7 | 173.2 | -178.4 | -179.2 | 0 | 109.3 | ||||
| 287 | G | 24.9 | Very low | 30.9 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -79.8 | -155.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 288 | P | 49.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | cis | -150.8 | -167 | 29.3 | 42.8 | -20.5 | 0 | 0 | 0 | 118.5 | ||||
| 289 | S | 30.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 66.1 | 150 | 156 | 47.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 290 | S | 33.4 | Very low | 30 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | cis | 179.7 | 161.5 | -8.4 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 291 | S | 30.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | cis | -177.1 | 150.2 | -17 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 292 | A | 31.6 | Very low | 29.8 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 66.8 | 122 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 293 | A | 27.9 | Very low | 29.7 | Very low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -168.6 | 143.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 294 | D | 28.6 | Very low | 29.6 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -108.1 | 158.6 | -166.7 | -53.1 | -78.6 | 0 | 0 | 0 | 114.8 | ||||
| 295 | V | 29 | Very low | 29.4 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | 176.6 | 156.6 | 126.2 | 151.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 296 | E | 28 | Very low | 29.1 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -67.1 | 174.4 | -170.5 | -55.4 | 172.5 | 160.3 | 0 | 0 | 114.1 | ||||
| 297 | T | 26.9 | Very low | 28.9 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -158.8 | 153.7 | 30.3 | -45.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 298 | E | 25.5 | Very low | 29.1 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | 32.8 | 138.2 | 160.9 | -68.1 | 172.5 | 167.6 | 0 | 0 | 121.6 | ||||
| 299 | G | 27.6 | Very low | 28.2 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | cis | 100.9 | 123.7 | 14.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 300 | D | 27.4 | Very low | 28 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | cis | -148.1 | -158.1 | -8 | -170.8 | 1.6 | 0 | 0 | 0 | 108.9 | ||||
| 301 | S | 28.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -106.5 | 164.6 | -144.9 | 50 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 302 | V | 27.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 121.3 | -170.2 | 176.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 303 | A | 28.9 | Very low | 27.3 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 155.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 304 | K | 28.1 | Very low | 27.2 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 144.8 | 178.3 | -65.6 | 165 | -178.1 | 153.2 | 0 | 111.1 | ||
| 305 | E | 25.3 | Very low | 27 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -138.4 | 162.2 | 153.7 | -160.2 | 155.5 | -144.9 | 0 | 0 | 112.6 | ||||
| 306 | N | 23.8 | Very low | 26.9 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -102.7 | 149.1 | 179 | -60.2 | -89.8 | 0 | 0 | 0 | 109.8 | ||||
| 307 | C | 24.2 | Very low | 27 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | trans | -112.8 | 137.1 | 165.8 | -110.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 308 | A | 27.5 | Very low | 26.9 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 167.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 309 | P | 31.4 | Very low | 27 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 143.7 | -175 | 33.4 | -33.5 | 0 | 0 | 0 | 112.4 | ||
| 310 | A | 25.9 | Very low | 27 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 135.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 311 | E | 27.9 | Very low | 26.9 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -113.4 | 129 | 157.3 | -68.7 | -174.7 | 155.9 | 0 | 0 | 106.6 | ||||
| 312 | E | 24.5 | Very low | 26.7 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -135.2 | 163.4 | 165.2 | -75.3 | -154.8 | 134 | 0 | 0 | 111 | ||||
| 313 | K | 28.4 | Very low | 26.7 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -110.1 | 169.8 | -169.2 | -91.8 | -174.5 | 173.9 | -176.7 | 0 | 112.8 | ||||
| 314 | E | 26.1 | Very low | 26.6 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -43.1 | 137.8 | 170.7 | -57.6 | 157.8 | 116.1 | 0 | 0 | 114 | ||||
| 315 | S | 24.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -136.4 | 159.1 | 128 | 82.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 316 | S | 27.8 | Very low | 26.6 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -137.8 | 139.6 | -177.1 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 317 | N | 28.8 | Very low | 26.9 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 167.1 | 153.4 | 158.4 | -86.8 | -9.8 | 0 | 0 | 0 | 107.7 | ||||
| 318 | D | 26.4 | Very low | 27.1 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -157.9 | 158.1 | -32.2 | -162.3 | -14.2 | 0 | 0 | 0 | 107.1 | ||||
| 319 | S | 27.2 | Very low | 27.2 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 31.6 | 128.6 | 154.3 | -66.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 320 | T | 26.4 | Very low | 27.1 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | -170.2 | 124.3 | 110.2 | -77.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 321 | S | 25.7 | Very low | 27.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 21 | 136.5 | 147 | -154.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 322 | G | 24.7 | Very low | 27.2 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 117.5 | 143.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 323 | S | 27.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | 179.9 | 133.9 | -26.1 | -113.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 324 | V | 27.2 | Very low | 27.3 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | trans | 67.9 | 148.3 | 159 | 176.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 325 | A | 27.7 | Very low | 27.4 | Very low | 87 Ų | 87 | 122 Ų | 122 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | cis | -136.8 | 163.7 | 13.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 326 | A | 26.2 | Very low | 27.8 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | trans | -88.9 | 179.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 327 | S | 28.1 | Very low | 28 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | cis | 178 | 165.1 | 37.3 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 328 | N | 29.6 | Very low | 28.3 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 71 | 153.9 | 144.6 | -68.2 | -1.5 | 0 | 0 | 0 | 118.4 | ||||
| 329 | Q | 30 | Very low | 28.6 | Very low | 146 Ų | 146 | 116 Ų | 116 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | cis | -165.4 | 154.7 | -5.7 | -118.8 | 168.7 | -10.8 | 0 | 0 | 112.3 | ||||
| 330 | K | 27.7 | Very low | 28.8 | Very low | 143 Ų | 143 | 118.3 Ų | 118.3 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | 54 | 161.7 | 138.4 | -77 | -178 | 142.1 | -76.5 | 0 | 120.9 | E332 | K330-E332 IonicContact NZ-OE2 3.22Å; K330-E332 PolarHBondContact NZ-OE2 3.45Å | ||
| 331 | D | 27.2 | Very low | 29 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 54% | 0.54 | 73% | 0.727 | S | S | . | * | cis | -146.9 | 153 | -1.1 | -106 | -20.5 | 0 | 0 | 0 | 111.1 | ||||
| 332 | E | 29.4 | Very low | 29.2 | Very low | 143 Ų | 143 | 116.7 Ų | 116.7 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | 54.8 | 143 | 94.8 | -55.4 | -166.7 | 99.5 | 0 | 0 | 114.9 | K330 | K330-E332 IonicContact NZ-OE2 3.22Å; K330-E332 PolarHBondContact NZ-OE2 3.45Å | |||
| 333 | E | 25.3 | Very low | 29.6 | Very low | 173 Ų | 173 | 117.5 Ų | 117.5 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | cis | -119.9 | 166.6 | 28.8 | -69.1 | 172.4 | 100.4 | 0 | 0 | 113.5 | ||||
| 334 | Q | 29.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | 63.4 | 140.4 | 53 | -54.5 | -157.4 | 33.2 | 0 | 0 | 114.4 | |||||
| 335 | V | 28.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | -167 | 164.8 | 59.3 | 160.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 336 | A | 33.4 | Very low | 29.8 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | cis | -176.6 | -175.1 | -36.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 337 | S | 31.6 | Very low | 29.9 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | 74.6 | 154.2 | 167 | 80.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 338 | A | 33.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | cis | -177.2 | 168.2 | -24.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 339 | A | 33.4 | Very low | 29.8 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | cis | -150.6 | -152.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 340 | N | 30.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | cis | -163 | 171.1 | -5.7 | -156.4 | -7.4 | 0 | 0 | 0 | 110 | ||||
| 341 | S | 31.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 62.2 | 154.9 | 158.8 | 68.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 342 | S | 29.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | cis | 179 | 157.2 | -18.5 | 50.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 343 | A | 32.4 | Very low | 30.3 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | -169.5 | -168.9 | -17.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 344 | E | 28.4 | Very low | 30.5 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 150.4 | 165.8 | -64 | -164.6 | 133.1 | 0 | 0 | 119.3 | ||||
| 345 | A | 30.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | cis | -155.5 | 165.4 | -17.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 346 | T | 28.1 | Very low | 30.6 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -68.5 | 149.4 | -168.2 | -48.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 347 | Q | 29.1 | Very low | 30.3 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | -178.5 | 178.5 | 124.6 | -97.2 | -179.5 | 26.9 | 0 | 0 | 115.4 | |||||
| 348 | Q | 27.2 | Very low | 30.3 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -125.8 | 158.6 | -149.5 | -67.7 | 179.4 | -22.9 | 0 | 0 | 118.2 | ||||
| 349 | L | 27.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -14.3 | 150.1 | 155.7 | -90.3 | 138.7 | 0 | 0 | 0 | 120.1 | R351 | L349-R351 HydrophobicContact CD2-CB 4.4Š| ||
| 350 | P | 42.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -137.5 | -158 | 78.7 | 37.8 | -20.7 | 0 | 0 | 0 | 116.8 | |||||
| 351 | R | 26.6 | Very low | 30.2 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -141.6 | 139.2 | -139.7 | 170.5 | -168.2 | -174.1 | -175.7 | 4.7 | 113.8 | L349 | L349-R351 HydrophobicContact CD2-CB 4.4Š| ||
| 352 | Q | 30.5 | Very low | 30 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 148.2 | 155 | 152.9 | -87.7 | -170.5 | 89.8 | 0 | 0 | 111.5 | ||||
| 353 | R | 26.6 | Very low | 29.8 | Very low | 210 Ų | 210 | 143.5 Ų | 143.5 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | cis | -171.8 | 151.6 | -17.4 | 178.1 | 174.7 | -174.7 | 177.3 | 0.7 | 110.2 | ||||
| 354 | A | 29 | Very low | 29.8 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | 68.6 | 157.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 355 | K | 28.4 | Very low | 29.6 | Very low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | cis | -159.4 | 143 | -12.5 | -127.3 | -179.7 | -179.8 | -179.5 | 0 | 110.7 | ||||
| 356 | A | 31.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | 53.8 | 150 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 357 | G | 28.1 | Very low | 29.4 | Very low | 79 Ų | 79 | 152.8 Ų | 152.8 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | cis | 167 | 119.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 358 | G | 31.1 | Very low | 29.4 | Very low | 83 Ų | 83 | 149.6 Ų | 149.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -91.4 | 144 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 359 | S | 31.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -167.2 | 147.2 | -178.9 | -161.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 360 | K | 33.4 | Very low | 29.6 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | cis | -160.8 | 152.7 | -23.7 | -113 | 172.9 | -172.1 | 174.6 | 0 | 107.4 | ||||
| 361 | L | 31.2 | Very low | 29.3 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -79.5 | 138.7 | 154.7 | -126.2 | 76.4 | 0 | 0 | 0 | 108.2 | ||||
| 362 | T | 29.3 | Very low | 29.3 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | trans | -140.9 | 123.6 | 173.7 | -27 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 363 | C | 25.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 141.2 | 172.6 | -175.3 | 0 | 0 | 0 | 0 | 110 | K365 | C363-K365 PolarHBondContact O-N 2.94Š| ||
| 364 | I | 31.2 | Very low | 29.2 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -82.5 | 114.7 | 178 | -60.5 | 175.5 | 0 | 0 | 0 | 109 | ||||
| 365 | K | 24.1 | Very low | 29.1 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -107.6 | 104.4 | 173.6 | -167.7 | 168.3 | -173.6 | 170.7 | 0 | 109.8 | C363 | C363-K365 PolarHBondContact O-N 2.94Š| ||
| 366 | I | 29.3 | Very low | 29 | Very low | 149 Ų | 149 | 147 Ų | 147 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -66.3 | 135.6 | 176.3 | -59.3 | 172.8 | 0 | 0 | 0 | 108.9 | ||||
| 367 | K | 25.2 | Very low | 28.9 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -140.7 | 111.7 | 169.7 | -168.2 | 170.1 | -172.8 | 176.1 | 0 | 109.7 | ||||
| 368 | T | 28.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -74.5 | 144.2 | 176 | 39.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 369 | K | 30.1 | Very low | 29.2 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -141 | 138.2 | 156.7 | -88.5 | -160.9 | 170.3 | -166.3 | 0 | 108.3 | ||||
| 370 | S | 29.6 | Very low | 29 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -118.5 | 141.1 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 371 | P | 35.7 | Very low | 28.8 | Very low | 120 Ų | 120 | 149 Ų | 149 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -107.3 | 122.5 | 163.9 | 33 | -21.6 | 0 | 0 | 0 | 112 | ||||
| 372 | K | 26.9 | Very low | 28.6 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -82.8 | 156.4 | 139.9 | -57.5 | 178.1 | 178.9 | -176.6 | 0 | 106.8 | ||||
| 373 | G | 27.4 | Very low | 28.5 | Very low | 63 Ų | 63 | 147.4 Ų | 147.4 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | cis | 172.3 | 179.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 374 | D | 26.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 97.6 | 111.3 | 158.2 | -51.4 | -18.6 | 0 | 0 | 0 | 120.9 | ||||
| 375 | Y | 27.1 | Very low | 28.8 | Very low | 203 Ų | 203 | 149.6 Ų | 149.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 38 | 121.4 | 145.8 | -71.6 | -89.9 | 0 | 0 | 0 | 123.4 | ||||
| 376 | Y | 26.5 | Very low | 29.1 | Very low | 225 Ų | 225 | 146.3 Ų | 146.3 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | -164 | 161 | 99.4 | -100.5 | -74.6 | 0 | 0 | 0 | 110.7 | |||||
| 377 | T | 29.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -145.1 | 173.8 | 175.7 | 60 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 378 | P | 39.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -126 | 180 | -7.3 | 42.4 | -28.8 | 0 | 0 | 0 | 113.7 | ||||
| 379 | S | 26.9 | Very low | 29.8 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 177.5 | 125.1 | 133.3 | -83.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 380 | N | 27.6 | Very low | 30.2 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | 39.7 | 109.6 | 137.1 | -53.2 | -9.4 | 0 | 0 | 0 | 121.6 | ||||
| 381 | A | 28.9 | Very low | 30.5 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 112.7 | 138.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 382 | T | 27.6 | Very low | 30.4 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | 1.6 | 126.4 | 163.7 | 48.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 383 | V | 26.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -78.5 | 140.1 | 152 | 173.3 | 0 | 0 | 0 | 0 | 109.2 | I385 | V383-I385 HydrophobicContact CG1-CD1 3.98Å; V383-I385 HydrophobicContact CG1-CG1 3.87Å | ||
| 384 | E | 26.5 | Very low | 31.9 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -132.3 | 126 | 163 | -169.8 | 170.2 | -127.2 | 0 | 0 | 109.7 | ||||
| 385 | I | 35.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 148 Ų | 148 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -138.6 | 106.9 | 176.9 | -59.7 | 174.3 | 0 | 0 | 0 | 108.4 | V383 | V383-I385 HydrophobicContact CG1-CD1 3.98Å; V383-I385 HydrophobicContact CG1-CG1 3.87Å | ||
| 386 | V | 30.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -135 | 124.3 | 162.2 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 387 | P | 37.2 | Very low | 34.2 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -97.3 | 154.5 | -177.5 | 36.6 | -33.9 | 0 | 0 | 0 | 112.8 | ||||
| 388 | T | 27.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -170.5 | 119 | 131.8 | 11.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 389 | T | 32.8 | Very low | 35 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 53.7 | 159.3 | 139.7 | 48.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 390 | E | 37.8 | Very low | 35.9 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | 69.5 | 65.2 | 158.9 | -60.6 | -114.9 | 120.1 | 0 | 0 | 120.1 | ||||
| 391 | R | 37 | Very low | 36.3 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | 175.4 | 87.9 | 127.4 | -98.3 | 169.4 | 172.9 | -167.4 | -0.4 | 114.1 | |||||
| 392 | Q | 32.8 | Very low | 36.8 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -132.9 | 18.4 | 164.6 | -74.6 | -156.9 | 0.7 | 0 | 0 | 116.1 | H394 | Q392-H394 PolarHBondContact O-N 3.48Š| ||
| 393 | N | 44.4 | Very low | 37.7 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 38.7 | 173.5 | -88.9 | -28.9 | 0 | 0 | 0 | 114.8 | ||
| 394 | H | 42.3 | Very low | 38.3 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.3 | -16.7 | 174.3 | -115.3 | 62.2 | 0 | 0 | 0 | 116 | Q392 | Q392-H394 PolarHBondContact O-N 3.48Š|
| 395 | V | 44.7 | Very low | 38.8 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 56% | 0.564 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -44.9 | 179 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | R397 K398 | V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.3Å; V395-K398 WeakPolarHBondContact O-CB 3.25Å; V395-K398 PolarHBondContact O-N 3.42Å |
| 396 | A | 41.2 | Very low | 39.1 | Very low | 67 Ų | 67 | 148.6 Ų | 148.6 | 55% | 0.554 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -57.1 | -34.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K398 I399 | A396-K398 PolarHBondContact O-N 3.24Å; A396-I399 PolarHBondContact O-N 3.13Å |
| 397 | R | 41.1 | Very low | 39.6 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -69.4 | -9.9 | 177.3 | -77.8 | -175.1 | 173.5 | 179 | -0.5 | 114.4 | V395 | V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.3Å |
| 398 | K | 37.9 | Very low | 39.8 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -90.7 | -26.1 | 179 | -141.6 | 173.9 | -172.3 | 178.8 | 0 | 113.4 | V395 A396 | V395-K398 WeakPolarHBondContact O-CB 3.25Å; V395-K398 PolarHBondContact O-N 3.42Å; A396-K398 PolarHBondContact O-N 3.24Å |
| 399 | I | 48 | Very low | 40.5 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -81.6 | -43.8 | -179 | -62.8 | 175.5 | 0 | 0 | 0 | 111.1 | A396 K401 | A396-I399 PolarHBondContact O-N 3.13Å; I399-K401 PolarHBondContact O-N 3.41Å |
| 400 | V | 45.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 155.8 Ų | 155.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12.5 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 401 | K | 36.5 | Very low | 41.3 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 1.9 | -177 | -123 | 179.8 | -176.3 | -177.7 | 0 | 115.6 | I399 | I399-K401 PolarHBondContact O-N 3.41Š|
| 402 | M | 40 | Very low | 41.4 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -89.8 | -20.7 | 174.5 | -87.7 | -172.6 | 153.3 | 0 | 0 | 114.5 | ||
| 403 | T | 45.1 | Very low | 41.7 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -93.3 | 6.1 | -167.4 | -15.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 404 | K | 41 | Very low | 41.7 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -135.3 | 67.3 | 176.1 | -71.3 | -169.8 | 178.2 | -179.1 | 0 | 112.7 | ||||
| 405 | Q | 35.4 | Very low | 42.1 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -71.1 | 137.5 | 143 | -70.8 | -166.4 | 12.8 | 0 | 0 | 107.8 | N408 | Q405-N408 PolarHBondContact OE1-ND2 2.85Š| ||
| 406 | P | 42.5 | Very low | 42.8 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | -60.5 | 153.2 | 167.4 | 28.5 | -34.5 | 0 | 0 | 0 | 109.2 | N408 | P406-N408 PolarHBondContact O-N 2.92Š| ||
| 407 | P | 40.8 | Very low | 43.6 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -57.3 | 111 | 178.6 | 23.9 | -33.5 | 0 | 0 | 0 | 109 | K409 | P407-K409 PolarHBondContact O-N 3.19Š| ||
| 408 | N | 42.3 | Very low | 44.5 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | -58.1 | 100.6 | 179 | -98.9 | -62.3 | 0 | 0 | 0 | 108.1 | Q405 P406 K410 | Q405-N408 PolarHBondContact OE1-ND2 2.85Å; P406-N408 PolarHBondContact O-N 2.92Å; N408-K410 PolarHBondContact O-N 3.13Å | ||
| 409 | K | 42.4 | Very low | 45.8 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | trans | -44.9 | 112.5 | 171.9 | -79.3 | -175.2 | 176.3 | 179.5 | 0 | 106.3 | P407 K411 | P407-K409 PolarHBondContact O-N 3.19Å; K409-K411 VanDerWaalsContact C-N 3.31Å; K409-K411 PolarHBondContact O-N 2.96Å | ||
| 410 | K | 44.4 | Very low | 46.8 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 70% | 0.703 | S | S | * | * | trans | -52.6 | 93.1 | -167.9 | -73.8 | 179.6 | 178 | 175.3 | 0 | 109.5 | N408 K412 | N408-K410 PolarHBondContact O-N 3.13Å; K410-K412 PolarHBondContact O-N 2.94Å | ||
| 411 | K | 42.7 | Very low | 47.8 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | trans | -57.3 | 114.9 | 174 | -79.7 | -174.5 | 176.9 | 176.9 | 0 | 104.4 | K409 G413 | K409-K411 VanDerWaalsContact C-N 3.31Å; K409-K411 PolarHBondContact O-N 2.96Å; K411-G413 VanDerWaalsContact C-N 3.31Å; K411-G413 PolarHBondContact O-N 2.81Å | ||
| 412 | K | 39.1 | Very low | 49.5 | Very low | 207 Ų | 207 | 127.9 Ų | 127.9 | 90% | 0.9 | 65% | 0.652 | S | S | * | * | trans | -53.7 | 102.5 | 175.4 | -75.8 | 179 | 178.2 | 173.6 | 0 | 106 | K410 A414 | K410-K412 PolarHBondContact O-N 2.94Å; K412-A414 PolarHBondContact O-N 3.42Å | ||
| 413 | G | 39.3 | Very low | 51.2 | Low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 127.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K411 P415 | K411-G413 VanDerWaalsContact C-N 3.31Å; K411-G413 PolarHBondContact O-N 2.81Å; G413-P415 VanDerWaalsContact O-N 3.08Å |
| 414 | A | 43.8 | Very low | 52.6 | Low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 123.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | K412 S416 | K412-A414 PolarHBondContact O-N 3.42Å; A414-S416 PolarHBondContact O-N 3.19Å; A414-S416 VanDerWaalsContact O-N 3.16Å |
| 415 | P | 50 | Low | 54.3 | Low | 71 Ų | 71 | 115 Ų | 115 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 128.2 | -163.8 | 17.6 | -31.2 | 0 | 0 | 0 | 109.5 | G413 K419 K420 | G413-P415 VanDerWaalsContact O-N 3.08Å; P415-K419 HydrophobicContact CB-CB 4.04Å; P415-K419 HydrophobicContact CB-CD 4.27Å; P415-K420 WeakPolarHBondContact O-CE 3.37Å |
| 416 | S | 59.4 | Low | 56.4 | Low | 45 Ų | 45 | 111.6 Ų | 111.6 | 32% | 0.315 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -49.3 | 151.5 | -171.9 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | A414 E418 K419 K420 | A414-S416 PolarHBondContact O-N 3.19Å; A414-S416 VanDerWaalsContact O-N 3.16Å; S416-E418 CarbonylContact O-C 3.56Å; S416-E418 PolarHBondContact O-N 3.47Å; S416-E418 PolarHBondContact OG-OE2 3.26Å; S416-K419 PolarHBondContact O-N 2.91Å; S416-K420 PolarHBondContact O-N 2.91Å |
| 417 | R | 58 | Low | 58.4 | Low | 223 Ų | 223 | 108.3 Ų | 108.3 | 84% | 0.842 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -49.8 | -35.1 | -177.4 | -171.8 | 171.9 | 64.5 | -179.7 | -0.5 | 111.8 | K420 V421 | R417-K420 PolarHBondContact O-N 3.43Å; R417-V421 WeakPolarHBondContact O-CG2 3.3Å; R417-V421 PolarHBondContact O-N 3.31Å; R417-V421 VanDerWaalsContact O-N 3.11Å |
| 418 | E | 60.7 | Low | 60.5 | Low | 131 Ų | 131 | 102.6 Ų | 102.6 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -52.5 | 172.1 | -55.1 | 161.7 | 143.6 | 0 | 0 | 113 | S416 K420 V421 T422 | S416-E418 CarbonylContact O-C 3.56Å; S416-E418 PolarHBondContact O-N 3.47Å; S416-E418 PolarHBondContact OG-OE2 3.26Å; E418-K420 PolarHBondContact O-N 3.35Å; E418-V421 CarbonylContact O-C 3.54Å; E418-V421 WeakPolarHBondContact O-CA 3.46Å; E418-V421 WeakPolarHBondContact O-CB 3.46Å; E418-V421 PolarHBondContact O-N 2.91Å; E418-T422 PolarHBondContact O-N 3.3Å; E418-T422 PolarHBondContact O-OG1 2.9Å |
| 419 | K | 65.6 | Low | 62.7 | Low | 86 Ų | 86 | 97.8 Ų | 97.8 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.4 | -33.9 | 179.1 | -70.7 | 177 | -178.6 | 175.3 | 0 | 112.5 | V226 P415 S416 R423 | V226-K419 VanDerWaalsContact CG2-NZ 3.32Å; P415-K419 HydrophobicContact CB-CB 4.04Å; P415-K419 HydrophobicContact CB-CD 4.27Å; S416-K419 PolarHBondContact O-N 2.91Å; K419-R423 PolarHBondContact O-N 2.91Å; K419-R423 VanDerWaalsContact O-N 3.16Å |
| 420 | K | 67.4 | Low | 64.9 | Low | 118 Ų | 118 | 92.5 Ų | 92.5 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 173.2 | -62.6 | -174.7 | -178.8 | -176.9 | 0 | 111.8 | P415 S416 R417 E418 R423 T424 | P415-K420 WeakPolarHBondContact O-CE 3.37Å; S416-K420 PolarHBondContact O-N 2.91Å; R417-K420 PolarHBondContact O-N 3.43Å; E418-K420 PolarHBondContact O-N 3.35Å; K420-R423 PolarHBondContact O-N 2.98Å; K420-T424 PolarHBondContact O-N 2.93Å; K420-T424 VanDerWaalsContact O-N 3.09Å; K420-T424 PolarHBondContact O-OG1 2.92Å |
| 421 | V | 67.3 | Low | 67.2 | Low | 47 Ų | 47 | 83.8 Ų | 83.8 | 29% | 0.285 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | R417 E418 R423 T424 I425 | R417-V421 WeakPolarHBondContact O-CG2 3.3Å; R417-V421 PolarHBondContact O-N 3.31Å; R417-V421 VanDerWaalsContact O-N 3.11Å; E418-V421 CarbonylContact O-C 3.54Å; E418-V421 WeakPolarHBondContact O-CA 3.46Å; E418-V421 WeakPolarHBondContact O-CB 3.46Å; E418-V421 PolarHBondContact O-N 2.91Å; V421-R423 VanDerWaalsContact C-N 3.28Å; V421-R423 PolarHBondContact O-N 2.89Å; V421-T424 WeakPolarHBondContact O-CA 3.3Å; V421-T424 VanDerWaalsContact O-CB 3.23Å; V421-T424 WeakPolarHBondContact O-CB 3.49Å; V421-T424 PolarHBondContact O-N 2.89Å; V421-I425 HydrophobicContact CG1-CD1 3.83Å; V421-I425 VanDerWaalsContact O-CD1 3.23Å; V421-I425 WeakPolarHBondContact O-CD1 3.38Å; V421-I425 PolarHBondContact O-N 3.39Å; V421-I425 VanDerWaalsContact O-N 3.14Å |
| 422 | T | 72.7 | Confident | 69.6 | Low | 27 Ų | 27 | 74.6 Ų | 74.6 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.1 | -41.9 | 173.9 | -52.6 | 0 | 0 | 0 | 0 | 112 | Y215 I218 E418 T424 I425 M426 | Y215-T422 HydrophobicContact CE2-CG2 4.39Å; I218-T422 HydrophobicContact CG2-CG2 3.79Å; E418-T422 PolarHBondContact O-N 3.3Å; E418-T422 PolarHBondContact O-OG1 2.9Å; T422-T424 VanDerWaalsContact C-N 3.31Å; T422-T424 PolarHBondContact O-N 3.35Å; T422-I425 PolarHBondContact O-N 3.02Å; T422-M426 WeakPolarHBondContact O-CB 3.47Å; T422-M426 PolarHBondContact O-N 3.45Å |
| 423 | R | 75.1 | Confident | 72.2 | Confident | 189 Ų | 189 | 66.9 Ų | 66.9 | 71% | 0.713 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.4 | -32.3 | 175.4 | -168.6 | 177.2 | -175.8 | 177.9 | 2.5 | 113.1 | K419 K420 V421 A427 | K419-R423 PolarHBondContact O-N 2.91Å; K419-R423 VanDerWaalsContact O-N 3.16Å; K420-R423 PolarHBondContact O-N 2.98Å; V421-R423 VanDerWaalsContact C-N 3.28Å; V421-R423 PolarHBondContact O-N 2.89Å; R423-A427 PolarHBondContact O-N 3.29Å; R423-A427 VanDerWaalsContact O-N 3.09Å |
| 424 | T | 74.3 | Confident | 74.8 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 13% | 0.129 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 174.7 | -48 | 0 | 0 | 0 | 0 | 110.6 | K420 V421 T422 A427 I428 C479 | K420-T424 PolarHBondContact O-N 2.93Å; K420-T424 VanDerWaalsContact O-N 3.09Å; K420-T424 PolarHBondContact O-OG1 2.92Å; V421-T424 WeakPolarHBondContact O-CA 3.3Å; V421-T424 VanDerWaalsContact O-CB 3.23Å; V421-T424 WeakPolarHBondContact O-CB 3.49Å; V421-T424 PolarHBondContact O-N 2.89Å; T422-T424 VanDerWaalsContact C-N 3.31Å; T422-T424 PolarHBondContact O-N 3.35Å; T424-A427 PolarHBondContact O-N 3.44Å; T424-I428 HydrophobicContact CG2-CD1 4.13Å; T424-I428 WeakPolarHBondContact O-CD1 3.33Å; T424-I428 WeakPolarHBondContact O-CG1 3.36Å; T424-I428 PolarHBondContact O-N 3.37Å; T424-C479 HydrophobicContact CG2-CB 3.71Å; T424-C479 WeakPolarHBondContact OG1-CB 3.35Å |
| 425 | I | 77.3 | Confident | 77.4 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | -179.2 | -57.5 | 136.8 | 0 | 0 | 0 | 110.6 | I126 R130 V421 T422 A427 I428 L429 | I126-I425 HydrophobicContact CG2-CG1 4.39Å; I126-I425 HydrophobicContact CG2-CG2 4.24Å; R130-I425 HydrophobicContact CB-CD1 4.2Å; R130-I425 VanDerWaalsContact CD-CD1 3.41Å; R130-I425 HydrophobicContact CG-CD1 3.52Å; R130-I425 HydrophobicContact CG-CG1 4.26Å; V421-I425 HydrophobicContact CG1-CD1 3.83Å; V421-I425 VanDerWaalsContact O-CD1 3.23Å; V421-I425 WeakPolarHBondContact O-CD1 3.38Å; V421-I425 PolarHBondContact O-N 3.39Å; V421-I425 VanDerWaalsContact O-N 3.14Å; T422-I425 PolarHBondContact O-N 3.02Å; I425-A427 VanDerWaalsContact C-N 3.28Å; I425-A427 PolarHBondContact O-N 3.28Å; I425-I428 PolarHBondContact O-N 2.94Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.16Å; I425-L429 WeakPolarHBondContact O-CG 3.34Å; I425-L429 PolarHBondContact O-N 3.3Å |
| 426 | M | 79.6 | Confident | 79.6 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 38% | 0.384 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 172.6 | 179.9 | -165.8 | 168.6 | 0 | 0 | 111.6 | Y215 T422 L429 V430 | Y215-M426 HydrophobicContact CE2-CB 3.92Å; Y215-M426 HydrophobicContact CE2-CG 4.12Å; Y215-M426 PolarHBondContact OH-SD 2.85Å; T422-M426 WeakPolarHBondContact O-CB 3.47Å; T422-M426 PolarHBondContact O-N 3.45Å; M426-L429 PolarHBondContact O-N 3Å; M426-V430 HydrophobicContact CG-CG2 4.37Å; M426-V430 WeakPolarHBondContact O-CB 3.22Å; M426-V430 VanDerWaalsContact O-CG2 3.24Å; M426-V430 WeakPolarHBondContact O-CG2 3.35Å; M426-V430 PolarHBondContact O-N 3.48Å |
| 427 | A | 83.4 | Confident | 81.4 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R423 T424 I425 A431 | R423-A427 PolarHBondContact O-N 3.29Å; R423-A427 VanDerWaalsContact O-N 3.09Å; T424-A427 PolarHBondContact O-N 3.44Å; I425-A427 VanDerWaalsContact C-N 3.28Å; I425-A427 PolarHBondContact O-N 3.28Å; A427-A431 WeakPolarHBondContact O-CB 3.34Å; A427-A431 PolarHBondContact O-N 2.89Å |
| 428 | I | 85.7 | Confident | 83.3 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 177.7 | -61 | 156.4 | 0 | 0 | 0 | 110.8 | L123 T424 I425 V430 A431 F432 C475 Y476 | L123-I428 HydrophobicContact CD2-CG2 3.54Å; T424-I428 HydrophobicContact CG2-CD1 4.13Å; T424-I428 WeakPolarHBondContact O-CD1 3.33Å; T424-I428 WeakPolarHBondContact O-CG1 3.36Å; T424-I428 PolarHBondContact O-N 3.37Å; I425-I428 PolarHBondContact O-N 2.94Å; I428-V430 PolarHBondContact O-N 3.38Å; I428-A431 PolarHBondContact O-N 2.92Å; I428-F432 PolarHBondContact O-N 3.45Å; I428-C475 HydrophobicContact CG1-CB 3.91Å; I428-Y476 HydrophobicContact CD1-CD1 4Å; I428-Y476 HydrophobicContact CD1-CE1 3.6Å; I428-Y476 HydrophobicContact CG1-CD1 4.48Å; I428-Y476 HydrophobicContact CG1-CE1 4.05Å |
| 429 | L | 87.6 | Confident | 85 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 179 | -68.4 | 177.6 | 0 | 0 | 0 | 112.4 | M211 I425 M426 V433 | M211-L429 HydrophobicContact CB-CD2 4.21Å; M211-L429 HydrophobicContact CE-CD2 4.46Å; M211-L429 HydrophobicContact CG-CD2 4.26Å; M211-L429 HydrophobicContact SD-CD2 3.46Å; M211-L429 WeakPolarHBondContact SD-CD2 3.46Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.16Å; I425-L429 WeakPolarHBondContact O-CG 3.34Å; I425-L429 PolarHBondContact O-N 3.3Å; M426-L429 PolarHBondContact O-N 3Å; L429-V433 WeakPolarHBondContact O-CG2 3.46Å; L429-V433 PolarHBondContact O-N 3.39Å |
| 430 | V | 89.9 | Confident | 86.5 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 52% | 0.521 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.6 | -39.9 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | M426 I428 A434 | M426-V430 HydrophobicContact CG-CG2 4.37Å; M426-V430 WeakPolarHBondContact O-CB 3.22Å; M426-V430 VanDerWaalsContact O-CG2 3.24Å; M426-V430 WeakPolarHBondContact O-CG2 3.35Å; M426-V430 PolarHBondContact O-N 3.48Å; I428-V430 PolarHBondContact O-N 3.38Å; V430-A434 WeakPolarHBondContact O-CB 3.33Å; V430-A434 PolarHBondContact O-N 3.47Å |
| 431 | A | 91.4 | Very high | 87.9 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 12% | 0.116 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A427 I428 A434 T435 I471 | A427-A431 WeakPolarHBondContact O-CB 3.34Å; A427-A431 PolarHBondContact O-N 2.89Å; I428-A431 PolarHBondContact O-N 2.92Å; A431-A434 PolarHBondContact O-N 3.05Å; A431-T435 WeakPolarHBondContact O-CB 3.19Å; A431-T435 WeakPolarHBondContact O-CG2 3.35Å; A431-T435 PolarHBondContact O-N 2.85Å; A431-T435 PolarHBondContact O-OG1 3.37Å; A431-I471 HydrophobicContact CB-CG2 3.78Å |
| 432 | F | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -51.7 | 176.3 | 173.9 | -101.7 | 0 | 0 | 0 | 112.4 | V120 L123 F204 V208 M211 I428 A434 T435 W436 N468 | V120-F432 HydrophobicContact CG1-CZ 4.37Å; V120-F432 HydrophobicContact CG2-CE2 3.93Å; V120-F432 HydrophobicContact CG2-CZ 3.8Å; L123-F432 HydrophobicContact CD1-CB 3.93Å; L123-F432 HydrophobicContact CD1-CD1 4.18Å; L123-F432 HydrophobicContact CD1-CD2 3.52Å; L123-F432 HydrophobicContact CD1-CE2 4.04Å; L123-F432 HydrophobicContact CD1-CG 3.59Å; F204-F432 HydrophobicContact CD2-CE1 4.16Å; F204-F432 AromaticContact CD2-CZ 3.96Å; F204-F432 HydrophobicContact CD2-CZ 3.96Å; F204-F432 AromaticContact CE2-CE1 3.85Å; F204-F432 HydrophobicContact CE2-CE1 3.85Å; F204-F432 AromaticContact CE2-CZ 3.97Å; F204-F432 HydrophobicContact CE2-CZ 3.97Å; V208-F432 HydrophobicContact CG2-CD1 4.47Å; V208-F432 HydrophobicContact CG2-CE1 3.77Å; M211-F432 HydrophobicContact CE-CD1 3.94Å; M211-F432 HydrophobicContact CE-CE1 3.64Å; I428-F432 PolarHBondContact O-N 3.45Å; F432-A434 PolarHBondContact O-N 2.97Å; F432-T435 PolarHBondContact O-N 2.84Å; F432-T435 PolarHBondContact O-OG1 3.44Å; F432-T435 VanDerWaalsContact O-OG1 3.11Å; F432-W436 HydrophobicContact CD2-CD2 4.01Å; F432-W436 HydrophobicContact CD2-CG 4.08Å; F432-W436 HydrophobicContact CE2-CB 4.46Å; F432-W436 AromaticContact CE2-CD2 3.34Å; F432-W436 HydrophobicContact CE2-CD2 3.34Å; F432-W436 AromaticContact CE2-CE2 3.61Å; F432-W436 AromaticContact CE2-CE3 3.48Å; F432-W436 HydrophobicContact CE2-CE3 3.48Å; F432-W436 VanDerWaalsContact CE2-CE3 3.48Å; F432-W436 AromaticContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CH2 4.06Å; F432-W436 AromaticContact CE2-CZ2 3.97Å; F432-W436 HydrophobicContact CE2-CZ2 3.97Å; F432-W436 AromaticContact CE2-CZ3 3.84Å; F432-W436 HydrophobicContact CE2-CZ3 3.84Å; F432-W436 AromaticContact CZ-CD2 3.94Å; F432-W436 HydrophobicContact CZ-CD2 3.94Å; F432-W436 AromaticContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CG 4.36Å; F432-W436 HydrophobicContact CZ-CZ3 4.13Å; F432-W436 WeakPolarHBondContact O-CB 3.28Å; F432-W436 PolarHBondContact O-N 3.09Å; F432-N468 WeakPolarHBondContact CA-OD1 3.5Å; F432-N468 PolarHBondContact N-OD1 3.48Å |
| 433 | V | 93.9 | Very high | 90.3 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | V208 L429 T435 T437 | V208-V433 HydrophobicContact CG1-CG2 4.02Å; V208-V433 HydrophobicContact CG2-CG2 4.22Å; L429-V433 WeakPolarHBondContact O-CG2 3.46Å; L429-V433 PolarHBondContact O-N 3.39Å; V433-T435 VanDerWaalsContact C-N 3.32Å; V433-T435 PolarHBondContact O-N 3.02Å; V433-T437 WeakPolarHBondContact O-CB 3.38Å; V433-T437 PolarHBondContact O-N 3.16Å; V433-T437 PolarHBondContact O-OG1 3.32Å |
| 434 | A | 95.2 | Very high | 91.2 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 53% | 0.529 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.1 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V430 A431 F432 P438 | V430-A434 WeakPolarHBondContact O-CB 3.33Å; V430-A434 PolarHBondContact O-N 3.47Å; A431-A434 PolarHBondContact O-N 3.05Å; F432-A434 PolarHBondContact O-N 2.97Å; A434-P438 WeakPolarHBondContact O-CD 3.38Å |
| 435 | T | 96.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -84.7 | -38.6 | -179.3 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | A431 F432 V433 L464 N468 I471 | A431-T435 WeakPolarHBondContact O-CB 3.19Å; A431-T435 WeakPolarHBondContact O-CG2 3.35Å; A431-T435 PolarHBondContact O-N 2.85Å; A431-T435 PolarHBondContact O-OG1 3.37Å; F432-T435 PolarHBondContact O-N 2.84Å; F432-T435 PolarHBondContact O-OG1 3.44Å; F432-T435 VanDerWaalsContact O-OG1 3.11Å; V433-T435 VanDerWaalsContact C-N 3.32Å; V433-T435 PolarHBondContact O-N 3.02Å; T435-L464 VanDerWaalsContact CB-O 3.32Å; T435-L464 WeakPolarHBondContact CB-O 3.48Å; T435-L464 HydrophobicContact CG2-CD1 4.35Å; T435-L464 HydrophobicContact CG2-CG 4.33Å; T435-L464 WeakPolarHBondContact O-CD2 3.44Å; T435-L464 WeakPolarHBondContact O-CG 3.48Å; T435-N468 HydrophobicContact CG2-CB 4.46Å; T435-N468 WeakPolarHBondContact OG1-CB 3.44Å; T435-I471 HydrophobicContact CG2-CD1 4.06Å |
| 436 | W | 97.1 | Very high | 93 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -92.7 | -21.7 | -174.5 | -75.6 | 39.3 | 0 | 0 | 0 | 114.3 | V120 F204 F432 N440 C465 | V120-W436 HydrophobicContact CG2-CE3 4.28Å; V120-W436 HydrophobicContact CG2-CH2 3.59Å; V120-W436 HydrophobicContact CG2-CZ3 3.38Å; F204-W436 HydrophobicContact CD2-CB 4.11Å; F204-W436 AromaticContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CE2-CB 3.44Å; F204-W436 VanDerWaalsContact CE2-CB 3.44Å; F204-W436 HydrophobicContact CE2-CE3 4.4Å; F204-W436 HydrophobicContact CE2-CG 4.46Å; F204-W436 HydrophobicContact CZ-CB 4.06Å; F432-W436 HydrophobicContact CD2-CD2 4.01Å; F432-W436 HydrophobicContact CD2-CG 4.08Å; F432-W436 HydrophobicContact CE2-CB 4.46Å; F432-W436 AromaticContact CE2-CD2 3.34Å; F432-W436 HydrophobicContact CE2-CD2 3.34Å; F432-W436 AromaticContact CE2-CE2 3.61Å; F432-W436 AromaticContact CE2-CE3 3.48Å; F432-W436 HydrophobicContact CE2-CE3 3.48Å; F432-W436 VanDerWaalsContact CE2-CE3 3.48Å; F432-W436 AromaticContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CH2 4.06Å; F432-W436 AromaticContact CE2-CZ2 3.97Å; F432-W436 HydrophobicContact CE2-CZ2 3.97Å; F432-W436 AromaticContact CE2-CZ3 3.84Å; F432-W436 HydrophobicContact CE2-CZ3 3.84Å; F432-W436 AromaticContact CZ-CD2 3.94Å; F432-W436 HydrophobicContact CZ-CD2 3.94Å; F432-W436 AromaticContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CG 4.36Å; F432-W436 HydrophobicContact CZ-CZ3 4.13Å; F432-W436 WeakPolarHBondContact O-CB 3.28Å; F432-W436 PolarHBondContact O-N 3.09Å; W436-N440 PolarHBondContact O-N 3.48Å; W436-N440 PolarHBondContact O-ND2 3.45Å; W436-C465 HydrophobicContact CG-CB 4.42Å; W436-C465 PolarHBondContact NE1-O 3.17Å |
| 437 | T | 97 | Very high | 93.6 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | V433 Y439 N440 V441 | V433-T437 WeakPolarHBondContact O-CB 3.38Å; V433-T437 PolarHBondContact O-N 3.16Å; V433-T437 PolarHBondContact O-OG1 3.32Å; T437-Y439 PolarHBondContact O-N 3.21Å; T437-N440 PolarHBondContact O-N 3.16Å; T437-N440 VanDerWaalsContact O-N 3.15Å; T437-V441 HydrophobicContact CG2-CG2 3.79Å; T437-V441 WeakPolarHBondContact O-CG2 3.25Å; T437-V441 PolarHBondContact O-N 3.01Å |
| 438 | P | 97.3 | Very high | 94.1 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -41.5 | -176.7 | -29.8 | 40.2 | 0 | 0 | 0 | 113.9 | A434 V441 M442 L464 | A434-P438 WeakPolarHBondContact O-CD 3.38Å; P438-V441 PolarHBondContact O-N 3.01Å; P438-M442 WeakPolarHBondContact O-CG 3.4Å; P438-M442 PolarHBondContact O-N 3.47Å; P438-M442 VanDerWaalsContact O-N 3.08Å; P438-L464 HydrophobicContact CB-CD2 4.15Å; P438-L464 HydrophobicContact CG-CD2 3.69Å |
| 439 | Y | 97.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 15% | 0.153 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.8 | 179.7 | -96.9 | 0 | 0 | 0 | 112.3 | T437 V441 M442 V443 W458 Y462 C465 | T437-Y439 PolarHBondContact O-N 3.21Å; Y439-V441 VanDerWaalsContact C-N 3.34Å; Y439-V441 PolarHBondContact O-N 3.27Å; Y439-M442 HydrophobicContact CD2-CE 4.11Å; Y439-M442 WeakPolarHBondContact O-CB 3.48Å; Y439-M442 PolarHBondContact O-N 3.19Å; Y439-M442 VanDerWaalsContact O-N 3.17Å; Y439-V443 HydrophobicContact CD1-CG2 4.36Å; Y439-V443 HydrophobicContact CE1-CG2 3.9Å; Y439-V443 PolarHBondContact O-N 3.11Å; Y439-W458 HydrophobicContact CD2-CE3 4.03Å; Y439-W458 AromaticContact CD2-CZ3 3.99Å; Y439-W458 HydrophobicContact CD2-CZ3 3.99Å; Y439-W458 AromaticContact CE2-CE3 3.69Å; Y439-W458 HydrophobicContact CE2-CE3 3.69Å; Y439-W458 AromaticContact CE2-CZ3 3.58Å; Y439-W458 HydrophobicContact CE2-CZ3 3.58Å; Y439-Y462 HydrophobicContact CD2-CD2 4.28Å; Y439-Y462 AromaticContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CE2 4.29Å; Y439-Y462 HydrophobicContact CE2-CG 4.43Å; Y439-C465 VanDerWaalsContact CB-SG 3.55Å |
| 440 | N | 96.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.8 | -31.6 | -179.3 | -73.6 | -91.5 | 0 | 0 | 0 | 112.5 | F204 Y205 W436 T437 V443 L444 | F204-N440 VanDerWaalsContact CB-OD1 3.29Å; F204-N440 WeakPolarHBondContact CB-OD1 3.46Å; F204-N440 HydrophobicContact CD1-CB 3.47Å; F204-N440 VanDerWaalsContact CD1-CB 3.47Å; F204-N440 WeakPolarHBondContact CD1-OD1 3.47Å; F204-N440 HydrophobicContact CE1-CB 3.67Å; F204-N440 HydrophobicContact CG-CB 4.22Å; F204-N440 VanDerWaalsContact CG-CG 3.46Å; F204-N440 WeakPolarHBondContact CG-OD1 3.02Å; Y205-N440 HydrophobicContact CE2-CB 4.03Å; Y205-N440 VanDerWaalsContact OH-C 3.29Å; Y205-N440 PolarHBondContact OH-O 3.39Å; Y205-N440 VanDerWaalsContact OH-O 3.06Å; W436-N440 PolarHBondContact O-N 3.48Å; W436-N440 PolarHBondContact O-ND2 3.45Å; T437-N440 PolarHBondContact O-N 3.16Å; T437-N440 VanDerWaalsContact O-N 3.15Å; N440-V443 WeakPolarHBondContact O-CB 3.46Å; N440-V443 PolarHBondContact O-N 2.67Å; N440-L444 PolarHBondContact O-N 3.35Å |
| 441 | V | 96.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 170.9 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | T437 P438 Y439 L444 I445 | T437-V441 HydrophobicContact CG2-CG2 3.79Å; T437-V441 WeakPolarHBondContact O-CG2 3.25Å; T437-V441 PolarHBondContact O-N 3.01Å; P438-V441 PolarHBondContact O-N 3.01Å; Y439-V441 VanDerWaalsContact C-N 3.34Å; Y439-V441 PolarHBondContact O-N 3.27Å; V441-L444 PolarHBondContact O-N 3.4Å; V441-I445 HydrophobicContact CG1-CD1 3.96Å; V441-I445 WeakPolarHBondContact O-CG1 3.42Å; V441-I445 PolarHBondContact O-N 3.37Å |
| 442 | M | 95.7 | Very high | 94.6 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.069 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 170.2 | -71.7 | -172 | -65 | 0 | 0 | 112 | P438 Y439 L444 I445 N446 I453 V457 W458 | P438-M442 WeakPolarHBondContact O-CG 3.4Å; P438-M442 PolarHBondContact O-N 3.47Å; P438-M442 VanDerWaalsContact O-N 3.08Å; Y439-M442 HydrophobicContact CD2-CE 4.11Å; Y439-M442 WeakPolarHBondContact O-CB 3.48Å; Y439-M442 PolarHBondContact O-N 3.19Å; Y439-M442 VanDerWaalsContact O-N 3.17Å; M442-L444 VanDerWaalsContact C-N 3.29Å; M442-L444 PolarHBondContact O-N 2.98Å; M442-I445 PolarHBondContact O-N 2.93Å; M442-I445 VanDerWaalsContact O-N 3.15Å; M442-N446 VanDerWaalsContact O-CB 3.32Å; M442-N446 WeakPolarHBondContact O-CB 3.37Å; M442-N446 PolarHBondContact O-N 2.86Å; M442-I453 HydrophobicContact CB-CD1 3.97Å; M442-I453 HydrophobicContact CB-CG2 4.48Å; M442-I453 HydrophobicContact CG-CD1 4.38Å; M442-I453 HydrophobicContact CG-CG2 4.09Å; M442-I453 WeakPolarHBondContact O-CD1 3.46Å; M442-I453 HydrophobicContact SD-CG2 3.55Å; M442-I453 VanDerWaalsContact SD-CG2 3.55Å; M442-V457 WeakPolarHBondContact CE-O 3.43Å; M442-V457 HydrophobicContact SD-CB 4.41Å; M442-V457 HydrophobicContact SD-CG1 3.73Å; M442-W458 HydrophobicContact CB-CD2 4.49Å; M442-W458 HydrophobicContact CB-CE3 4.02Å; M442-W458 HydrophobicContact CB-CH2 3.72Å; M442-W458 HydrophobicContact CB-CZ2 4.2Å; M442-W458 HydrophobicContact CB-CZ3 3.6Å; M442-W458 HydrophobicContact CE-CD2 4.38Å; M442-W458 HydrophobicContact CE-CE3 3.73Å; M442-W458 HydrophobicContact CE-CZ3 4.23Å; M442-W458 HydrophobicContact SD-CD2 4.23Å; M442-W458 HydrophobicContact SD-CE3 4.11Å |
| 443 | V | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 174.1 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | T196 F197 A200 Y439 N440 N446 W458 | T196-V443 HydrophobicContact CG2-CG1 3.85Å; T196-V443 HydrophobicContact CG2-CG2 4.45Å; F197-V443 HydrophobicContact CB-CG1 4.19Å; A200-V443 HydrophobicContact CB-CG1 4.02Å; Y439-V443 HydrophobicContact CD1-CG2 4.36Å; Y439-V443 HydrophobicContact CE1-CG2 3.9Å; Y439-V443 PolarHBondContact O-N 3.11Å; N440-V443 WeakPolarHBondContact O-CB 3.46Å; N440-V443 PolarHBondContact O-N 2.67Å; V443-N446 PolarHBondContact O-N 2.96Å; V443-W458 HydrophobicContact CG2-CH2 3.9Å; V443-W458 HydrophobicContact CG2-CZ3 3.98Å |
| 444 | L | 95.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 174 | 170.1 | 62.9 | 0 | 0 | 0 | 113.2 | F197 N440 V441 M442 N446 T447 F448 | F197-L444 HydrophobicContact CD2-CB 4.28Å; F197-L444 HydrophobicContact CD2-CD1 4.35Å; F197-L444 HydrophobicContact CE1-CD1 4.31Å; F197-L444 HydrophobicContact CE2-CB 4.01Å; F197-L444 HydrophobicContact CE2-CD1 3.66Å; F197-L444 HydrophobicContact CE2-CG 4.35Å; F197-L444 HydrophobicContact CZ-CD1 3.64Å; N440-L444 PolarHBondContact O-N 3.35Å; V441-L444 PolarHBondContact O-N 3.4Å; M442-L444 VanDerWaalsContact C-N 3.29Å; M442-L444 PolarHBondContact O-N 2.98Å; L444-N446 VanDerWaalsContact C-N 3.33Å; L444-T447 PolarHBondContact O-OG1 2.65Å; L444-F448 HydrophobicContact CD1-CE2 4.15Å |
| 445 | I | 95 | Very high | 94.4 | Very high | 75 Ų | 75 | 57 Ų | 57 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 176.9 | -70.7 | 164.3 | 0 | 0 | 0 | 110.2 | V441 M442 T447 F448 C449 C452 I453 | V441-I445 HydrophobicContact CG1-CD1 3.96Å; V441-I445 WeakPolarHBondContact O-CG1 3.42Å; V441-I445 PolarHBondContact O-N 3.37Å; M442-I445 PolarHBondContact O-N 2.93Å; M442-I445 VanDerWaalsContact O-N 3.15Å; I445-T447 PolarHBondContact O-N 2.93Å; I445-T447 VanDerWaalsContact O-N 3.17Å; I445-F448 PolarHBondContact O-N 3.04Å; I445-C449 PolarHBondContact O-N 3.32Å; I445-C452 HydrophobicContact CG2-CB 4.16Å; I445-I453 HydrophobicContact CB-CD1 4.04Å; I445-I453 HydrophobicContact CG2-CD1 3.88Å; I445-I453 HydrophobicContact CG2-CG1 4.01Å |
| 446 | N | 93.2 | Very high | 94.2 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -19.2 | -179.1 | -169.1 | 73.7 | 0 | 0 | 0 | 114.3 | M442 V443 L444 F448 I453 W458 | M442-N446 VanDerWaalsContact O-CB 3.32Å; M442-N446 WeakPolarHBondContact O-CB 3.37Å; M442-N446 PolarHBondContact O-N 2.86Å; V443-N446 PolarHBondContact O-N 2.96Å; L444-N446 VanDerWaalsContact C-N 3.33Å; N446-F448 VanDerWaalsContact C-N 3.27Å; N446-F448 PolarHBondContact O-N 3.44Å; N446-I453 HydrophobicContact CB-CD1 4.01Å; N446-W458 HydrophobicContact CB-CH2 4.38Å; N446-W458 HydrophobicContact CB-CZ2 3.96Å |
| 447 | T | 93.3 | Very high | 94.1 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.1 | 173.2 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | A193 F197 L444 I445 | A193-T447 HydrophobicContact CB-CG2 4.25Å; A193-T447 WeakPolarHBondContact O-CG2 3.29Å; F197-T447 HydrophobicContact CB-CG2 3.39Å; F197-T447 HydrophobicContact CD1-CG2 4.14Å; F197-T447 HydrophobicContact CG-CG2 3.86Å; L444-T447 PolarHBondContact O-OG1 2.65Å; I445-T447 PolarHBondContact O-N 2.93Å; I445-T447 VanDerWaalsContact O-N 3.17Å |
| 448 | F | 94.2 | Very high | 94 | Very high | 174 Ų | 174 | 62.3 Ų | 62.3 | 76% | 0.763 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -20.9 | -177.4 | -54.1 | -66 | 0 | 0 | 0 | 113.3 | L444 I445 N446 | L444-F448 HydrophobicContact CD1-CE2 4.15Å; I445-F448 PolarHBondContact O-N 3.04Å; N446-F448 VanDerWaalsContact C-N 3.27Å; N446-F448 PolarHBondContact O-N 3.44Å |
| 449 | C | 92.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 61 Ų | 61 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | trans | -151.3 | 102.7 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | I445 C452 | I445-C449 PolarHBondContact O-N 3.32Å; C449-C452 HydrophobicContact CB-CB 3.76Å; C449-C452 WeakPolarHBondContact CB-SG 3.36Å; C449-C452 WeakPolarHBondContact SG-CB 3.32Å; C449-C452 PolarHBondContact SG-N 3.34Å; C449-C452 CovalentContact SG-SG 2.03Å; C449-C452 PolarHBondContact SG-SG 3.39Å | ||
| 450 | S | 87.6 | Confident | 93.7 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 63% | 0.629 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -73.9 | -32 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | C452 | S450-C452 VanDerWaalsContact C-N 3.32Å; S450-C452 PolarHBondContact O-N 2.93Å |
| 451 | S | 90.8 | Very high | 93.8 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 78% | 0.776 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -10 | 178.9 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | I453 | S451-I453 VanDerWaalsContact C-N 3.29Å; S451-I453 PolarHBondContact O-N 3.2Å |
| 452 | C | 93.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 55% | 0.554 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.3 | -176.4 | -72.3 | 0 | 0 | 0 | 0 | 114.2 | I445 C449 S450 | I445-C452 HydrophobicContact CG2-CB 4.16Å; C449-C452 HydrophobicContact CB-CB 3.76Å; C449-C452 WeakPolarHBondContact CB-SG 3.36Å; C449-C452 WeakPolarHBondContact SG-CB 3.32Å; C449-C452 PolarHBondContact SG-N 3.34Å; C449-C452 CovalentContact SG-SG 2.03Å; C449-C452 PolarHBondContact SG-SG 3.39Å; S450-C452 VanDerWaalsContact C-N 3.32Å; S450-C452 PolarHBondContact O-N 2.93Å |
| 453 | I | 94.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -122.1 | 102.2 | -172.6 | -52.4 | 155.4 | 0 | 0 | 0 | 109.2 | M442 I445 N446 S451 V457 W458 | M442-I453 HydrophobicContact CB-CD1 3.97Å; M442-I453 HydrophobicContact CB-CG2 4.48Å; M442-I453 HydrophobicContact CG-CD1 4.38Å; M442-I453 HydrophobicContact CG-CG2 4.09Å; M442-I453 WeakPolarHBondContact O-CD1 3.46Å; M442-I453 HydrophobicContact SD-CG2 3.55Å; M442-I453 VanDerWaalsContact SD-CG2 3.55Å; I445-I453 HydrophobicContact CB-CD1 4.04Å; I445-I453 HydrophobicContact CG2-CD1 3.88Å; I445-I453 HydrophobicContact CG2-CG1 4.01Å; N446-I453 HydrophobicContact CB-CD1 4.01Å; S451-I453 VanDerWaalsContact C-N 3.29Å; S451-I453 PolarHBondContact O-N 3.2Å; I453-V457 HydrophobicContact CG2-CB 4.44Å; I453-W458 HydrophobicContact CD1-CZ2 3.81Å; I453-W458 HydrophobicContact CG2-CD2 4.04Å; I453-W458 HydrophobicContact CG2-CG 3.9Å |
| 454 | P | 94.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | trans | -71.2 | 149.4 | 177.3 | 29.1 | -33.5 | 0 | 0 | 0 | 111.1 | T456 V457 W458 | P454-T456 PolarHBondContact O-N 3.1Å; P454-T456 VanDerWaalsContact O-N 3.08Å; P454-V457 HydrophobicContact CG-CB 4.41Å; P454-V457 HydrophobicContact CG-CG2 3.84Å; P454-V457 PolarHBondContact O-N 3.37Å; P454-W458 PolarHBondContact O-N 2.83Å | ||
| 455 | N | 90.4 | Very high | 94.1 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -51.2 | -38 | -174.5 | -70 | -22.6 | 0 | 0 | 0 | 113.8 | V457 W458 T459 | N455-V457 PolarHBondContact O-N 3.27Å; N455-W458 WeakPolarHBondContact O-CB 3.39Å; N455-W458 PolarHBondContact O-N 3.44Å; N455-T459 PolarHBondContact O-N 2.89Å; N455-T459 PolarHBondContact O-OG1 2.97Å; N455-T459 VanDerWaalsContact O-OG1 3.07Å |
| 456 | T | 91.7 | Very high | 94.2 | Very high | 75 Ų | 75 | 60 Ų | 60 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56 | -36.5 | 175.8 | -42.4 | 0 | 0 | 0 | 0 | 113.2 | P454 T459 I460 | P454-T456 PolarHBondContact O-N 3.1Å; P454-T456 VanDerWaalsContact O-N 3.08Å; T456-T459 PolarHBondContact O-N 3.41Å; T456-I460 HydrophobicContact CG2-CD1 4.22Å; T456-I460 WeakPolarHBondContact O-CD1 3.41Å; T456-I460 VanDerWaalsContact O-CG1 3.24Å; T456-I460 WeakPolarHBondContact O-CG1 3.19Å; T456-I460 PolarHBondContact O-N 3.39Å |
| 457 | V | 95.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 42% | 0.418 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.7 | -35.8 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | M442 I453 P454 N455 I460 G461 | M442-V457 WeakPolarHBondContact CE-O 3.43Å; M442-V457 HydrophobicContact SD-CB 4.41Å; M442-V457 HydrophobicContact SD-CG1 3.73Å; I453-V457 HydrophobicContact CG2-CB 4.44Å; P454-V457 HydrophobicContact CG-CB 4.41Å; P454-V457 HydrophobicContact CG-CG2 3.84Å; P454-V457 PolarHBondContact O-N 3.37Å; N455-V457 PolarHBondContact O-N 3.27Å; V457-I460 PolarHBondContact O-N 3.16Å; V457-G461 PolarHBondContact O-N 3.42Å |
| 458 | W | 94.6 | Very high | 94.5 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55 | -50 | 165.4 | -82.3 | 120.4 | 0 | 0 | 0 | 111.5 | Y439 M442 V443 N446 I453 P454 N455 I460 G461 Y462 | Y439-W458 HydrophobicContact CD2-CE3 4.03Å; Y439-W458 AromaticContact CD2-CZ3 3.99Å; Y439-W458 HydrophobicContact CD2-CZ3 3.99Å; Y439-W458 AromaticContact CE2-CE3 3.69Å; Y439-W458 HydrophobicContact CE2-CE3 3.69Å; Y439-W458 AromaticContact CE2-CZ3 3.58Å; Y439-W458 HydrophobicContact CE2-CZ3 3.58Å; M442-W458 HydrophobicContact CB-CD2 4.49Å; M442-W458 HydrophobicContact CB-CE3 4.02Å; M442-W458 HydrophobicContact CB-CH2 3.72Å; M442-W458 HydrophobicContact CB-CZ2 4.2Å; M442-W458 HydrophobicContact CB-CZ3 3.6Å; M442-W458 HydrophobicContact CE-CD2 4.38Å; M442-W458 HydrophobicContact CE-CE3 3.73Å; M442-W458 HydrophobicContact CE-CZ3 4.23Å; M442-W458 HydrophobicContact SD-CD2 4.23Å; M442-W458 HydrophobicContact SD-CE3 4.11Å; V443-W458 HydrophobicContact CG2-CH2 3.9Å; V443-W458 HydrophobicContact CG2-CZ3 3.98Å; N446-W458 HydrophobicContact CB-CH2 4.38Å; N446-W458 HydrophobicContact CB-CZ2 3.96Å; I453-W458 HydrophobicContact CD1-CZ2 3.81Å; I453-W458 HydrophobicContact CG2-CD2 4.04Å; I453-W458 HydrophobicContact CG2-CG 3.9Å; P454-W458 PolarHBondContact O-N 2.83Å; N455-W458 WeakPolarHBondContact O-CB 3.39Å; N455-W458 PolarHBondContact O-N 3.44Å; W458-I460 PolarHBondContact O-N 2.9Å; W458-G461 PolarHBondContact O-N 3.34Å; W458-Y462 PolarHBondContact O-N 3.06Å |
| 459 | T | 94.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | Y89 I93 N455 T456 Y462 W463 | Y89-T459 HydrophobicContact CE1-CG2 4.47Å; Y89-T459 WeakPolarHBondContact OH-CA 3.48Å; I93-T459 HydrophobicContact CD1-CG2 3.44Å; I93-T459 VanDerWaalsContact CD1-CG2 3.44Å; I93-T459 HydrophobicContact CG1-CG2 3.79Å; I93-T459 HydrophobicContact CG2-CG2 4.29Å; N455-T459 PolarHBondContact O-N 2.89Å; N455-T459 PolarHBondContact O-OG1 2.97Å; N455-T459 VanDerWaalsContact O-OG1 3.07Å; T456-T459 PolarHBondContact O-N 3.41Å; T459-Y462 PolarHBondContact O-N 3.15Å; T459-W463 PolarHBondContact O-N 3.45Å |
| 460 | I | 95.4 | Very high | 94.7 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 55% | 0.554 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 177 | -70.9 | 163.6 | 0 | 0 | 0 | 111 | T456 V457 W458 W463 L464 | T456-I460 HydrophobicContact CG2-CD1 4.22Å; T456-I460 WeakPolarHBondContact O-CD1 3.41Å; T456-I460 VanDerWaalsContact O-CG1 3.24Å; T456-I460 WeakPolarHBondContact O-CG1 3.19Å; T456-I460 PolarHBondContact O-N 3.39Å; V457-I460 PolarHBondContact O-N 3.16Å; W458-I460 PolarHBondContact O-N 2.9Å; I460-W463 PolarHBondContact O-N 2.92Å; I460-L464 WeakPolarHBondContact O-CB 3.37Å; I460-L464 PolarHBondContact O-N 3.38Å |
| 461 | G | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V457 W458 L464 C465 | V457-G461 PolarHBondContact O-N 3.42Å; W458-G461 PolarHBondContact O-N 3.34Å; G461-L464 WeakPolarHBondContact O-CB 3.34Å; G461-L464 PolarHBondContact O-N 2.89Å; G461-C465 PolarHBondContact O-N 3.28Å |
| 462 | Y | 96.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 176.6 | -152.3 | -65.4 | 0 | 0 | 0 | 111.1 | Y89 D112 Y113 Y439 W458 T459 L464 C465 Y466 | Y89-Y462 HydrophobicContact CD1-CD1 4.23Å; Y89-Y462 AromaticContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CG 4Å; Y89-Y462 AromaticContact CZ-CG 3.94Å; Y89-Y462 WeakPolarHBondContact OH-CB 3.48Å; D112-Y462 WeakPolarHBondContact OD2-CE1 3.12Å; D112-Y462 PolarHBondContact OD2-OH 3.17Å; Y113-Y462 VanDerWaalsContact CE2-OH 3.29Å; Y113-Y462 WeakPolarHBondContact CE2-OH 3.24Å; Y439-Y462 HydrophobicContact CD2-CD2 4.28Å; Y439-Y462 AromaticContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CE2 4.29Å; Y439-Y462 HydrophobicContact CE2-CG 4.43Å; W458-Y462 PolarHBondContact O-N 3.06Å; T459-Y462 PolarHBondContact O-N 3.15Å; Y462-L464 VanDerWaalsContact C-N 3.29Å; Y462-L464 PolarHBondContact O-N 2.84Å; Y462-C465 WeakPolarHBondContact O-CB 3.13Å; Y462-C465 PolarHBondContact O-N 2.99Å; Y462-Y466 HydrophobicContact CD1-CE1 4.09Å; Y462-Y466 HydrophobicContact CD1-CE2 4.2Å; Y462-Y466 AromaticContact CD1-CZ 3.86Å; Y462-Y466 AromaticContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE2 4.28Å; Y462-Y466 AromaticContact CE1-CZ 3.49Å; Y462-Y466 VanDerWaalsContact CE1-CZ 3.49Å; Y462-Y466 WeakPolarHBondContact CE1-OH 3.33Å; Y462-Y466 PolarHBondContact O-N 2.81Å |
| 463 | W | 97.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -35.3 | 170.8 | -93.6 | 102.2 | 0 | 0 | 0 | 113.5 | A39 M86 Y89 T90 T459 I460 C465 Y466 I467 | A39-W463 HydrophobicContact CB-CH2 3.63Å; A39-W463 HydrophobicContact CB-CZ2 3.77Å; A39-W463 HydrophobicContact CB-CZ3 4.36Å; M86-W463 HydrophobicContact CB-CH2 3.72Å; M86-W463 HydrophobicContact CB-CZ3 3.99Å; M86-W463 HydrophobicContact CG-CH2 4Å; M86-W463 HydrophobicContact CG-CZ3 3.72Å; M86-W463 WeakPolarHBondContact O-CH2 3.5Å; M86-W463 WeakPolarHBondContact O-CZ2 3.3Å; M86-W463 HydrophobicContact SD-CZ3 4.2Å; Y89-W463 AromaticContact CD1-CD1 3.76Å; Y89-W463 AromaticContact CD1-CE2 3.91Å; Y89-W463 HydrophobicContact CD1-CG 4.42Å; Y89-W463 HydrophobicContact CD1-CZ2 4.44Å; Y89-W463 AromaticContact CD1-NE1 3.4Å; Y89-W463 AromaticContact CE1-CD1 3.59Å; Y89-W463 HydrophobicContact CE1-CG 4.39Å; Y89-W463 AromaticContact CE1-NE1 3.69Å; T90-W463 VanDerWaalsContact OG1-CZ2 3.28Å; T90-W463 WeakPolarHBondContact OG1-CZ2 3.49Å; T459-W463 PolarHBondContact O-N 3.45Å; I460-W463 PolarHBondContact O-N 2.92Å; W463-C465 VanDerWaalsContact C-N 3.3Å; W463-C465 PolarHBondContact O-N 3Å; W463-Y466 HydrophobicContact CD2-CD2 4.28Å; W463-Y466 HydrophobicContact CE3-CD2 4.04Å; W463-Y466 HydrophobicContact CZ3-CD2 4.19Å; W463-Y466 WeakPolarHBondContact O-CB 3.4Å; W463-Y466 PolarHBondContact O-N 3.25Å; W463-Y466 VanDerWaalsContact O-N 3.16Å; W463-I467 WeakPolarHBondContact O-CG1 3.24Å; W463-I467 PolarHBondContact O-N 3.07Å |
| 464 | L | 97.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 177 | -165.9 | 68 | 0 | 0 | 0 | 111.5 | T435 P438 I460 G461 Y462 Y466 I467 | T435-L464 VanDerWaalsContact CB-O 3.32Å; T435-L464 WeakPolarHBondContact CB-O 3.48Å; T435-L464 HydrophobicContact CG2-CD1 4.35Å; T435-L464 HydrophobicContact CG2-CG 4.33Å; T435-L464 WeakPolarHBondContact O-CD2 3.44Å; T435-L464 WeakPolarHBondContact O-CG 3.48Å; P438-L464 HydrophobicContact CB-CD2 4.15Å; P438-L464 HydrophobicContact CG-CD2 3.69Å; I460-L464 WeakPolarHBondContact O-CB 3.37Å; I460-L464 PolarHBondContact O-N 3.38Å; G461-L464 WeakPolarHBondContact O-CB 3.34Å; G461-L464 PolarHBondContact O-N 2.89Å; Y462-L464 VanDerWaalsContact C-N 3.29Å; Y462-L464 PolarHBondContact O-N 2.84Å; L464-Y466 VanDerWaalsContact C-N 3.33Å; L464-Y466 PolarHBondContact O-N 2.73Å; L464-I467 HydrophobicContact CD1-CD1 4.47Å; L464-I467 PolarHBondContact O-N 3.42Å |
| 465 | C | 97.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 11% | 0.108 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 171.5 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | W436 Y439 G461 Y462 W463 N468 | W436-C465 HydrophobicContact CG-CB 4.42Å; W436-C465 PolarHBondContact NE1-O 3.17Å; Y439-C465 VanDerWaalsContact CB-SG 3.55Å; G461-C465 PolarHBondContact O-N 3.28Å; Y462-C465 WeakPolarHBondContact O-CB 3.13Å; Y462-C465 PolarHBondContact O-N 2.99Å; W463-C465 VanDerWaalsContact C-N 3.3Å; W463-C465 PolarHBondContact O-N 3Å; C465-N468 VanDerWaalsContact O-CB 3.22Å; C465-N468 WeakPolarHBondContact O-CB 3.29Å; C465-N468 PolarHBondContact O-N 2.9Å |
| 466 | Y | 97.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 175.2 | -67.9 | -17.8 | 0 | 0 | 0 | 113.1 | I81 S85 M86 Y89 D112 Y462 W463 L464 N468 S469 | I81-Y466 HydrophobicContact CG2-CD1 3.63Å; I81-Y466 HydrophobicContact CG2-CE1 4.19Å; I81-Y466 HydrophobicContact CG2-CG 4.04Å; S85-Y466 WeakPolarHBondContact CB-OH 3.47Å; M86-Y466 HydrophobicContact CB-CD2 4.49Å; M86-Y466 VanDerWaalsContact CE-O 3.22Å; M86-Y466 WeakPolarHBondContact CE-O 3.41Å; M86-Y466 HydrophobicContact CG-CD2 3.82Å; M86-Y466 HydrophobicContact CG-CE2 4.5Å; M86-Y466 HydrophobicContact CG-CG 4.11Å; Y89-Y466 HydrophobicContact CD1-CD2 4.41Å; Y89-Y466 AromaticContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CG-CE2 4.06Å; D112-Y466 WeakPolarHBondContact OD1-CE1 3.45Å; D112-Y466 WeakPolarHBondContact OD2-CE1 3.28Å; D112-Y466 PolarHBondContact OD2-OH 3.43Å; Y462-Y466 HydrophobicContact CD1-CE1 4.09Å; Y462-Y466 HydrophobicContact CD1-CE2 4.2Å; Y462-Y466 AromaticContact CD1-CZ 3.86Å; Y462-Y466 AromaticContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE2 4.28Å; Y462-Y466 AromaticContact CE1-CZ 3.49Å; Y462-Y466 VanDerWaalsContact CE1-CZ 3.49Å; Y462-Y466 WeakPolarHBondContact CE1-OH 3.33Å; Y462-Y466 PolarHBondContact O-N 2.81Å; W463-Y466 HydrophobicContact CD2-CD2 4.28Å; W463-Y466 HydrophobicContact CE3-CD2 4.04Å; W463-Y466 HydrophobicContact CZ3-CD2 4.19Å; W463-Y466 WeakPolarHBondContact O-CB 3.4Å; W463-Y466 PolarHBondContact O-N 3.25Å; W463-Y466 VanDerWaalsContact O-N 3.16Å; L464-Y466 VanDerWaalsContact C-N 3.33Å; L464-Y466 PolarHBondContact O-N 2.73Å; Y466-N468 PolarHBondContact O-N 3.25Å; Y466-N468 VanDerWaalsContact O-N 3.11Å; Y466-S469 WeakPolarHBondContact O-CB 3.32Å; Y466-S469 PolarHBondContact O-N 2.68Å |
| 467 | I | 96.8 | Very high | 94.2 | Very high | 46 Ų | 46 | 29 Ų | 29 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -23 | 179.2 | -74.5 | 167.4 | 0 | 0 | 0 | 112.5 | L42 W463 L464 S469 T470 I471 | L42-I467 HydrophobicContact CD1-CD1 4.18Å; L42-I467 HydrophobicContact CD1-CG1 4.19Å; W463-I467 WeakPolarHBondContact O-CG1 3.24Å; W463-I467 PolarHBondContact O-N 3.07Å; L464-I467 HydrophobicContact CD1-CD1 4.47Å; L464-I467 PolarHBondContact O-N 3.42Å; I467-S469 VanDerWaalsContact C-N 3.26Å; I467-S469 PolarHBondContact O-N 2.92Å; I467-T470 WeakPolarHBondContact O-CB 3.47Å; I467-T470 PolarHBondContact O-N 3.5Å; I467-T470 VanDerWaalsContact O-N 3.09Å; I467-I471 HydrophobicContact CG2-CD1 3.79Å; I467-I471 HydrophobicContact CG2-CG1 4.22Å; I467-I471 WeakPolarHBondContact O-CG1 3.18Å; I467-I471 PolarHBondContact O-N 3.24Å; I467-I471 VanDerWaalsContact O-N 3.08Å |
| 468 | N | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.5 | -44.7 | 169.3 | -176.2 | 57.9 | 0 | 0 | 0 | 112.6 | F432 T435 C465 Y466 T470 I471 N472 | F432-N468 WeakPolarHBondContact CA-OD1 3.5Å; F432-N468 PolarHBondContact N-OD1 3.48Å; T435-N468 HydrophobicContact CG2-CB 4.46Å; T435-N468 WeakPolarHBondContact OG1-CB 3.44Å; C465-N468 VanDerWaalsContact O-CB 3.22Å; C465-N468 WeakPolarHBondContact O-CB 3.29Å; C465-N468 PolarHBondContact O-N 2.9Å; Y466-N468 PolarHBondContact O-N 3.25Å; Y466-N468 VanDerWaalsContact O-N 3.11Å; N468-T470 VanDerWaalsContact C-N 3.27Å; N468-T470 PolarHBondContact O-N 2.88Å; N468-I471 PolarHBondContact O-N 2.95Å; N468-I471 VanDerWaalsContact O-N 3.13Å; N468-N472 PolarHBondContact O-N 3.08Å; N468-N472 VanDerWaalsContact O-N 3.14Å |
| 469 | S | 95.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.1 | -26 | -179.8 | -64.2 | 0 | 0 | 0 | 0 | 113 | N50 D78 Y466 I467 P473 | N50-S469 PolarHBondContact ND2-O 3.41Å; N50-S469 VanDerWaalsContact ND2-O 3.11Å; D78-S469 WeakPolarHBondContact OD1-CA 3.42Å; D78-S469 VanDerWaalsContact OD1-CB 3.22Å; D78-S469 WeakPolarHBondContact OD1-CB 3.46Å; D78-S469 PolarHBondContact OD1-OG 3Å; Y466-S469 WeakPolarHBondContact O-CB 3.32Å; Y466-S469 PolarHBondContact O-N 2.68Å; I467-S469 VanDerWaalsContact C-N 3.26Å; I467-S469 PolarHBondContact O-N 2.92Å; S469-P473 WeakPolarHBondContact O-CD 3.24Å |
| 470 | T | 96.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.6 | -37.3 | 171 | -38.4 | 0 | 0 | 0 | 0 | 111.9 | L42 V45 T46 I467 N468 | L42-T470 HydrophobicContact CD2-CG2 4.36Å; V45-T470 HydrophobicContact CB-CG2 4.24Å; V45-T470 HydrophobicContact CG1-CG2 3.74Å; T46-T470 WeakPolarHBondContact OG1-CA 3.03Å; T46-T470 WeakPolarHBondContact OG1-CB 3.43Å; T46-T470 WeakPolarHBondContact OG1-CG2 3.42Å; T46-T470 PolarHBondContact OG1-OG1 3.18Å; I467-T470 WeakPolarHBondContact O-CB 3.47Å; I467-T470 PolarHBondContact O-N 3.5Å; I467-T470 VanDerWaalsContact O-N 3.09Å; N468-T470 VanDerWaalsContact C-N 3.27Å; N468-T470 PolarHBondContact O-N 2.88Å |
| 471 | I | 94.9 | Very high | 92 | Very high | 56 Ų | 56 | 32.9 Ų | 32.9 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.1 | -34.2 | -175.8 | -68.4 | 167.6 | 0 | 0 | 0 | 112.1 | A431 T435 I467 N468 A474 C475 | A431-I471 HydrophobicContact CB-CG2 3.78Å; T435-I471 HydrophobicContact CG2-CD1 4.06Å; I467-I471 HydrophobicContact CG2-CD1 3.79Å; I467-I471 HydrophobicContact CG2-CG1 4.22Å; I467-I471 WeakPolarHBondContact O-CG1 3.18Å; I467-I471 PolarHBondContact O-N 3.24Å; I467-I471 VanDerWaalsContact O-N 3.08Å; N468-I471 PolarHBondContact O-N 2.95Å; N468-I471 VanDerWaalsContact O-N 3.13Å; I471-A474 WeakPolarHBondContact O-CA 3.24Å; I471-A474 WeakPolarHBondContact O-CB 3.45Å; I471-A474 PolarHBondContact O-N 3.02Å; I471-C475 PolarHBondContact O-N 3.33Å |
| 472 | N | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.5 | -52.2 | -175.1 | -83.8 | -25.4 | 0 | 0 | 0 | 114.5 | D78 N468 A474 C475 Y476 | D78-N472 WeakPolarHBondContact OD2-CB 3.5Å; D78-N472 PolarHBondContact OD2-ND2 3.15Å; N468-N472 PolarHBondContact O-N 3.08Å; N468-N472 VanDerWaalsContact O-N 3.14Å; N472-A474 VanDerWaalsContact C-N 3.29Å; N472-A474 PolarHBondContact O-N 3.33Å; N472-C475 WeakPolarHBondContact O-CB 3.43Å; N472-C475 PolarHBondContact O-N 3.44Å; N472-Y476 HydrophobicContact CB-CE2 4.4Å; N472-Y476 WeakPolarHBondContact O-CD1 3.3Å; N472-Y476 WeakPolarHBondContact O-CD2 3.49Å; N472-Y476 WeakPolarHBondContact O-CE1 3.5Å; N472-Y476 VanDerWaalsContact O-CG 3.31Å; N472-Y476 PolarHBondContact O-N 2.86Å |
| 473 | P | 93.2 | Very high | 91 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.4 | -38.2 | 173.7 | -29.2 | 36.3 | 0 | 0 | 0 | 114.6 | G49 N50 V53 S469 Y476 A477 | G49-P473 VanDerWaalsContact C-CG 3.5Å; N50-P473 HydrophobicContact CB-CG 4.49Å; N50-P473 WeakPolarHBondContact OD1-CG 3.26Å; V53-P473 HydrophobicContact CG2-CB 3.97Å; V53-P473 HydrophobicContact CG2-CG 4.19Å; S469-P473 WeakPolarHBondContact O-CD 3.24Å; P473-Y476 PolarHBondContact O-N 3.49Å; P473-A477 WeakPolarHBondContact O-CB 3.47Å; P473-A477 PolarHBondContact O-N 3.45Å |
| 474 | A | 90.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 39 Ų | 39 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | I471 N472 Y476 A477 L478 | I471-A474 WeakPolarHBondContact O-CA 3.24Å; I471-A474 WeakPolarHBondContact O-CB 3.45Å; I471-A474 PolarHBondContact O-N 3.02Å; N472-A474 VanDerWaalsContact C-N 3.29Å; N472-A474 PolarHBondContact O-N 3.33Å; A474-Y476 VanDerWaalsContact C-N 3.3Å; A474-Y476 PolarHBondContact O-N 3.26Å; A474-A477 PolarHBondContact O-N 3.06Å; A474-L478 WeakPolarHBondContact O-CB 3.24Å; A474-L478 VanDerWaalsContact O-CG 3.25Å; A474-L478 WeakPolarHBondContact O-CG 3.48Å; A474-L478 PolarHBondContact O-N 3.17Å |
| 475 | C | 88.6 | Confident | 90.2 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -43.6 | 172.3 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | I428 I471 N472 C479 | I428-C475 HydrophobicContact CG1-CB 3.91Å; I471-C475 PolarHBondContact O-N 3.33Å; N472-C475 WeakPolarHBondContact O-CB 3.43Å; N472-C475 PolarHBondContact O-N 3.44Å; C475-C479 VanDerWaalsContact O-CB 3.29Å; C475-C479 WeakPolarHBondContact O-CB 3.38Å; C475-C479 PolarHBondContact O-N 3.35Å; C475-C479 VanDerWaalsContact O-N 3.11Å |
| 476 | Y | 86.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -45.7 | 178.9 | -48.7 | -24.8 | 0 | 0 | 0 | 111.9 | V53 L71 L74 I428 N472 P473 A474 N480 | V53-Y476 HydrophobicContact CB-CD2 4.47Å; V53-Y476 HydrophobicContact CG1-CD2 3.92Å; V53-Y476 HydrophobicContact CG1-CE2 4.02Å; V53-Y476 HydrophobicContact CG2-CD2 3.62Å; V53-Y476 HydrophobicContact CG2-CE2 4.04Å; L71-Y476 HydrophobicContact CD1-CD1 4.35Å; L71-Y476 HydrophobicContact CD1-CE1 4.44Å; L71-Y476 HydrophobicContact CD2-CD1 4.45Å; L71-Y476 HydrophobicContact CD2-CE1 3.77Å; L74-Y476 VanDerWaalsContact CD2-OH 3.31Å; L74-Y476 WeakPolarHBondContact CD2-OH 3.37Å; I428-Y476 HydrophobicContact CD1-CD1 4Å; I428-Y476 HydrophobicContact CD1-CE1 3.6Å; I428-Y476 HydrophobicContact CG1-CD1 4.48Å; I428-Y476 HydrophobicContact CG1-CE1 4.05Å; N472-Y476 HydrophobicContact CB-CE2 4.4Å; N472-Y476 WeakPolarHBondContact O-CD1 3.3Å; N472-Y476 WeakPolarHBondContact O-CD2 3.49Å; N472-Y476 WeakPolarHBondContact O-CE1 3.5Å; N472-Y476 VanDerWaalsContact O-CG 3.31Å; N472-Y476 PolarHBondContact O-N 2.86Å; P473-Y476 PolarHBondContact O-N 3.49Å; A474-Y476 VanDerWaalsContact C-N 3.3Å; A474-Y476 PolarHBondContact O-N 3.26Å; Y476-N480 WeakPolarHBondContact O-CB 3.4Å; Y476-N480 PolarHBondContact O-N 3.06Å |
| 477 | A | 85.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -37 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | P473 A474 K484 F487 | P473-A477 WeakPolarHBondContact O-CB 3.47Å; P473-A477 PolarHBondContact O-N 3.45Å; A474-A477 PolarHBondContact O-N 3.06Å; A477-K484 WeakPolarHBondContact O-CB 3.49Å; A477-F487 HydrophobicContact CB-CD2 3.98Å; A477-F487 HydrophobicContact CB-CE2 3.86Å |
| 478 | L | 82.8 | Confident | 89 | Confident | 139 Ų | 139 | 47.9 Ų | 47.9 | 73% | 0.728 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -74.9 | -37.6 | 179.2 | -68.9 | 173 | 0 | 0 | 0 | 112.4 | A474 | A474-L478 WeakPolarHBondContact O-CB 3.24Å; A474-L478 VanDerWaalsContact O-CG 3.25Å; A474-L478 WeakPolarHBondContact O-CG 3.48Å; A474-L478 PolarHBondContact O-N 3.17Å |
| 479 | C | 80.7 | Confident | 88.7 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 32% | 0.324 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -93.1 | -19.3 | -174.9 | -68.3 | 0 | 0 | 0 | 0 | 114.5 | T424 C475 | T424-C479 HydrophobicContact CG2-CB 3.71Å; T424-C479 WeakPolarHBondContact OG1-CB 3.35Å; C475-C479 VanDerWaalsContact O-CB 3.29Å; C475-C479 WeakPolarHBondContact O-CB 3.38Å; C475-C479 PolarHBondContact O-N 3.35Å; C475-C479 VanDerWaalsContact O-N 3.11Å |
| 480 | N | 83.8 | Confident | 88.3 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | trans | -121.5 | 108.1 | -179.6 | -172.3 | -19.2 | 0 | 0 | 0 | 112.7 | Y476 T482 F483 K484 | Y476-N480 WeakPolarHBondContact O-CB 3.4Å; Y476-N480 PolarHBondContact O-N 3.06Å; N480-T482 PolarHBondContact O-N 3.16Å; N480-T482 WeakPolarHBondContact OD1-CB 3.49Å; N480-T482 PolarHBondContact OD1-N 2.94Å; N480-F483 HydrophobicContact CB-CB 4.32Å; N480-F483 HydrophobicContact CB-CD2 3.94Å; N480-F483 WeakPolarHBondContact ND2-CD2 3.35Å; N480-F483 PolarHBondContact O-N 2.97Å; N480-K484 PolarHBondContact O-N 2.91Å | ||
| 481 | V | 84.8 | Confident | 87.9 | Confident | 103 Ų | 103 | 55.4 Ų | 55.4 | 62% | 0.624 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57 | -31.6 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | K484 K485 | V481-K484 PolarHBondContact O-N 3.19Å; V481-K485 WeakPolarHBondContact O-CG 3.41Å; V481-K485 PolarHBondContact O-N 3Å |
| 482 | T | 86.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 178.2 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | L63 N480 T486 | L63-T482 HydrophobicContact CD1-CG2 4.4Å; L63-T482 HydrophobicContact CD2-CG2 3.62Å; L63-T482 HydrophobicContact CG-CG2 3.86Å; N480-T482 PolarHBondContact O-N 3.16Å; N480-T482 WeakPolarHBondContact OD1-CB 3.49Å; N480-T482 PolarHBondContact OD1-N 2.94Å; T482-T486 WeakPolarHBondContact O-CB 3.46Å; T482-T486 PolarHBondContact O-N 3.02Å; T482-T486 PolarHBondContact O-OG1 2.82Å |
| 483 | F | 87.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 168.7 | -87.3 | -73.7 | 0 | 0 | 0 | 110.5 | V53 I57 L63 L71 N480 K485 T486 F487 | V53-F483 HydrophobicContact CG1-CE1 4.16Å; V53-F483 HydrophobicContact CG1-CZ 4.49Å; I57-F483 HydrophobicContact CD1-CE1 4.26Å; I57-F483 HydrophobicContact CD1-CZ 3.95Å; I57-F483 HydrophobicContact CG1-CE1 3.84Å; I57-F483 HydrophobicContact CG1-CZ 3.7Å; L63-F483 HydrophobicContact CD1-CD1 3.85Å; L63-F483 HydrophobicContact CD1-CE1 3.91Å; L63-F483 HydrophobicContact CD1-CG 4.18Å; L63-F483 HydrophobicContact CD1-CZ 4.27Å; L63-F483 HydrophobicContact CD2-CD2 4Å; L63-F483 HydrophobicContact CD2-CE2 3.97Å; L63-F483 HydrophobicContact CD2-CG 4.39Å; L63-F483 HydrophobicContact CD2-CZ 4.35Å; L71-F483 HydrophobicContact CD1-CE2 4.35Å; N480-F483 HydrophobicContact CB-CB 4.32Å; N480-F483 HydrophobicContact CB-CD2 3.94Å; N480-F483 WeakPolarHBondContact ND2-CD2 3.35Å; N480-F483 PolarHBondContact O-N 2.97Å; F483-K485 VanDerWaalsContact C-N 3.33Å; F483-K485 PolarHBondContact O-N 3.14Å; F483-T486 PolarHBondContact O-N 2.84Å; F483-F487 HydrophobicContact CD1-CD1 4.46Å; F483-F487 AromaticContact CD1-CE1 3.88Å; F483-F487 HydrophobicContact CD1-CE1 3.88Å; F483-F487 WeakPolarHBondContact O-CD1 3.39Å; F483-F487 PolarHBondContact O-N 2.89Å |
| 484 | K | 88.9 | Confident | 86.8 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.8 | -43.4 | 178.9 | -167.1 | 168.1 | -177.4 | 169.5 | 0 | 113.6 | A477 N480 V481 K488 | A477-K484 WeakPolarHBondContact O-CB 3.49Å; N480-K484 PolarHBondContact O-N 2.91Å; V481-K484 PolarHBondContact O-N 3.19Å; K484-K488 PolarHBondContact O-N 2.78Å |
| 485 | K | 88.3 | Confident | 85.9 | Confident | 139 Ų | 139 | 67.7 Ų | 67.7 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 174 | -75.6 | -170.2 | 175.4 | -168 | 0 | 111.8 | V481 F483 K488 H489 | V481-K485 WeakPolarHBondContact O-CG 3.41Å; V481-K485 PolarHBondContact O-N 3Å; F483-K485 VanDerWaalsContact C-N 3.33Å; F483-K485 PolarHBondContact O-N 3.14Å; K485-K488 PolarHBondContact O-N 2.78Å; K485-H489 PolarHBondContact O-CD2 2.68Å; K485-H489 PolarHBondContact O-N 2.89Å |
| 486 | T | 88.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | -179.1 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | S56 N60 L63 T482 F483 K488 H489 L490 I498 | S56-T486 WeakPolarHBondContact OG-CG2 3.46Å; N60-T486 HydrophobicContact CB-CG2 4.03Å; N60-T486 PolarHBondContact ND2-OG1 3.04Å; L63-T486 HydrophobicContact CD1-CG2 4.45Å; T482-T486 WeakPolarHBondContact O-CB 3.46Å; T482-T486 PolarHBondContact O-N 3.02Å; T482-T486 PolarHBondContact O-OG1 2.82Å; F483-T486 PolarHBondContact O-N 2.84Å; T486-K488 PolarHBondContact O-N 2.86Å; T486-H489 PolarHBondContact O-N 2.87Å; T486-H489 VanDerWaalsContact O-N 3.13Å; T486-L490 HydrophobicContact CG2-CD1 4.23Å; T486-L490 HydrophobicContact CG2-CG 4.34Å; T486-L490 WeakPolarHBondContact O-CG 3.44Å; T486-L490 PolarHBondContact O-N 2.93Å; T486-I498 HydrophobicContact CG2-CD1 4.23Å; T486-I498 HydrophobicContact CG2-CG2 4.32Å |
| 487 | F | 90 | Very high | 83.4 | Confident | 24 Ų | 24 | 81.5 Ų | 81.5 | 11% | 0.105 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -53.8 | -49.8 | 173.3 | -81.7 | 28.4 | 0 | 0 | 0 | 111.6 | L52 V53 S56 A477 F483 H489 L490 L491 | L52-F487 HydrophobicContact CB-CD1 4.29Å; L52-F487 HydrophobicContact CB-CE1 3.94Å; L52-F487 HydrophobicContact CB-CE2 4.21Å; L52-F487 HydrophobicContact CB-CZ 3.9Å; L52-F487 WeakPolarHBondContact O-CE1 3.24Å; V53-F487 HydrophobicContact CG2-CE1 4.39Å; V53-F487 HydrophobicContact CG2-CZ 3.82Å; S56-F487 VanDerWaalsContact OG-CD1 3.24Å; S56-F487 WeakPolarHBondContact OG-CD1 3.35Å; S56-F487 WeakPolarHBondContact OG-CE1 3.47Å; A477-F487 HydrophobicContact CB-CD2 3.98Å; A477-F487 HydrophobicContact CB-CE2 3.86Å; F483-F487 HydrophobicContact CD1-CD1 4.46Å; F483-F487 AromaticContact CD1-CE1 3.88Å; F483-F487 HydrophobicContact CD1-CE1 3.88Å; F483-F487 WeakPolarHBondContact O-CD1 3.39Å; F483-F487 PolarHBondContact O-N 2.89Å; F487-H489 VanDerWaalsContact C-N 3.33Å; F487-H489 PolarHBondContact O-N 3.47Å; F487-L490 PolarHBondContact O-N 3.08Å; F487-L491 WeakPolarHBondContact O-CB 3.42Å; F487-L491 WeakPolarHBondContact O-CG 3.4Å; F487-L491 PolarHBondContact O-N 3.18Å |
| 488 | K | 88.8 | Confident | 82.3 | Confident | 139 Ų | 139 | 81.3 Ų | 81.3 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | 177.6 | -177.4 | 171.9 | -179.6 | 177 | 0 | 112.4 | K484 K485 T486 L492 | K484-K488 PolarHBondContact O-N 2.78Å; K485-K488 PolarHBondContact O-N 2.78Å; T486-K488 PolarHBondContact O-N 2.86Å; K488-L492 HydrophobicContact CD-CD1 4.43Å; K488-L492 HydrophobicContact CG-CD1 3.84Å; K488-L492 WeakPolarHBondContact O-CB 3.4Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.32Å; K488-L492 PolarHBondContact O-N 3.22Å |
| 489 | H | 88.1 | Confident | 81.2 | Confident | 57 Ų | 57 | 85 Ų | 85 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.8 | -33.8 | 177.6 | -68.7 | -62.7 | 0 | 0 | 0 | 113 | K485 T486 F487 C493 Q494 I498 | K485-H489 PolarHBondContact O-CD2 2.68Å; K485-H489 PolarHBondContact O-N 2.89Å; T486-H489 PolarHBondContact O-N 2.87Å; T486-H489 VanDerWaalsContact O-N 3.13Å; F487-H489 VanDerWaalsContact C-N 3.33Å; F487-H489 PolarHBondContact O-N 3.47Å; H489-C493 PolarHBondContact O-N 2.86Å; H489-Q494 HydrophobicContact CB-CB 4.2Å; H489-Q494 PolarHBondContact ND1-OE1 2.95Å; H489-Q494 PolarHBondContact O-N 3.49Å; H489-I498 HydrophobicContact CB-CD1 3.64Å; H489-I498 HydrophobicContact CB-CG1 3.51Å |
| 490 | L | 87.8 | Confident | 79.8 | Confident | 9 Ų | 9 | 87.3 Ų | 87.3 | 5% | 0.047 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 174.4 | -68 | 174.5 | 0 | 0 | 0 | 111.2 | L52 L55 S56 T486 F487 L492 C493 Y495 I498 | L52-L490 HydrophobicContact CD2-CB 4.06Å; L52-L490 HydrophobicContact CD2-CD1 4.12Å; L55-L490 HydrophobicContact CB-CD1 4.05Å; S56-L490 VanDerWaalsContact OG-CD1 3.31Å; S56-L490 WeakPolarHBondContact OG-CD1 3.37Å; T486-L490 HydrophobicContact CG2-CD1 4.23Å; T486-L490 HydrophobicContact CG2-CG 4.34Å; T486-L490 WeakPolarHBondContact O-CG 3.44Å; T486-L490 PolarHBondContact O-N 2.93Å; F487-L490 PolarHBondContact O-N 3.08Å; L490-L492 PolarHBondContact O-N 3.36Å; L490-C493 PolarHBondContact O-N 2.89Å; L490-Y495 HydrophobicContact CD2-CD1 3.99Å; L490-Y495 HydrophobicContact CD2-CE1 3.33Å; L490-Y495 HydrophobicContact CD2-CE2 4.24Å; L490-Y495 VanDerWaalsContact CD2-CZ 3.47Å; L490-I498 HydrophobicContact CD2-CD1 3.83Å; L490-I498 HydrophobicContact CG-CD1 4.12Å |
| 491 | L | 88.5 | Confident | 78.3 | Confident | 119 Ų | 119 | 88.5 Ų | 88.5 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.6 | -21.8 | 178.6 | -70.3 | 170.3 | 0 | 0 | 0 | 113.8 | L52 F487 | L52-L491 HydrophobicContact CD1-CD2 4.15Å; L52-L491 HydrophobicContact CD1-CG 4.44Å; L52-L491 HydrophobicContact CD2-CD2 4.3Å; L52-L491 HydrophobicContact CD2-CG 4.38Å; F487-L491 WeakPolarHBondContact O-CB 3.42Å; F487-L491 WeakPolarHBondContact O-CG 3.4Å; F487-L491 PolarHBondContact O-N 3.18Å |
| 492 | L | 89.7 | Confident | 76.5 | Confident | 94 Ų | 94 | 97.3 Ų | 97.3 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.7 | 173.2 | -63.7 | 175.1 | 0 | 0 | 0 | 112.8 | K488 L490 Q494 | K488-L492 HydrophobicContact CD-CD1 4.43Å; K488-L492 HydrophobicContact CG-CD1 3.84Å; K488-L492 WeakPolarHBondContact O-CB 3.4Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.32Å; K488-L492 PolarHBondContact O-N 3.22Å; L490-L492 PolarHBondContact O-N 3.36Å; L492-Q494 HydrophobicContact CB-CG 3.95Å; L492-Q494 WeakPolarHBondContact O-CG 3.21Å; L492-Q494 PolarHBondContact O-N 3.15Å |
| 493 | C | 84.9 | Confident | 76 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 18 | -177.5 | -64.4 | 0 | 0 | 0 | 0 | 115.7 | H489 L490 Y495 | H489-C493 PolarHBondContact O-N 2.86Å; L490-C493 PolarHBondContact O-N 2.89Å; C493-Y495 PolarHBondContact O-N 3.17Å |
| 494 | Q | 82.4 | Confident | 75.4 | Confident | 73 Ų | 73 | 104.5 Ų | 104.5 | 34% | 0.341 | 49% | 0.489 | S | S | . | . | trans | -80.9 | 43 | -174.7 | -61.7 | -170.8 | -8.6 | 0 | 0 | 113.8 | H489 L492 R496 N497 | H489-Q494 HydrophobicContact CB-CB 4.2Å; H489-Q494 PolarHBondContact ND1-OE1 2.95Å; H489-Q494 PolarHBondContact O-N 3.49Å; L492-Q494 HydrophobicContact CB-CG 3.95Å; L492-Q494 WeakPolarHBondContact O-CG 3.21Å; L492-Q494 PolarHBondContact O-N 3.15Å; Q494-R496 VanDerWaalsContact C-N 3.25Å; Q494-R496 PolarHBondContact O-N 3.48Å; Q494-R496 VanDerWaalsContact O-N 3.16Å; Q494-N497 HydrophobicContact CB-CB 4.32Å; Q494-N497 WeakPolarHBondContact O-CB 3.37Å; Q494-N497 PolarHBondContact O-N 2.87Å; Q494-N497 PolarHBondContact OE1-ND2 2.96Å | ||
| 495 | Y | 69.9 | Low | 74.6 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.2 | -35.1 | -175.7 | -76.5 | -97.3 | 0 | 0 | 0 | 113.7 | V59 L490 C493 N497 I498 R499 | V59-Y495 HydrophobicContact CG1-CD1 4.14Å; V59-Y495 HydrophobicContact CG2-CD1 4.22Å; V59-Y495 HydrophobicContact CG2-CE1 4Å; L490-Y495 HydrophobicContact CD2-CD1 3.99Å; L490-Y495 HydrophobicContact CD2-CE1 3.33Å; L490-Y495 HydrophobicContact CD2-CE2 4.24Å; L490-Y495 VanDerWaalsContact CD2-CZ 3.47Å; C493-Y495 PolarHBondContact O-N 3.17Å; Y495-N497 VanDerWaalsContact C-N 3.31Å; Y495-N497 PolarHBondContact O-N 3.03Å; Y495-I498 PolarHBondContact O-N 2.83Å; Y495-R499 PolarHBondContact O-N 3.47Å |
| 496 | R | 61.6 | Low | 73.8 | Confident | 222 Ų | 222 | 100.8 Ų | 100.8 | 84% | 0.838 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.6 | -40 | 175.2 | -75.1 | 176.7 | 68.8 | 161.6 | -1.4 | 112.2 | Q494 I498 R499 S500 | Q494-R496 VanDerWaalsContact C-N 3.25Å; Q494-R496 PolarHBondContact O-N 3.48Å; Q494-R496 VanDerWaalsContact O-N 3.16Å; R496-I498 PolarHBondContact O-N 3.39Å; R496-R499 PolarHBondContact O-N 3.3Å; R496-S500 VanDerWaalsContact O-CB 3.26Å; R496-S500 WeakPolarHBondContact O-CB 3.05Å; R496-S500 PolarHBondContact O-N 2.03Å |
| 497 | N | 62.6 | Low | 72.9 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.7 | -33.3 | -177.6 | -63.6 | -9.5 | 0 | 0 | 0 | 111.8 | Q494 Y495 R499 A501 | Q494-N497 HydrophobicContact CB-CB 4.32Å; Q494-N497 WeakPolarHBondContact O-CB 3.37Å; Q494-N497 PolarHBondContact O-N 2.87Å; Q494-N497 PolarHBondContact OE1-ND2 2.96Å; Y495-N497 VanDerWaalsContact C-N 3.31Å; Y495-N497 PolarHBondContact O-N 3.03Å; N497-R499 VanDerWaalsContact C-N 3.35Å; N497-A501 WeakPolarHBondContact O-CB 3.02Å; N497-A501 PolarHBondContact O-N 3.38Å |
| 498 | I | 63.4 | Low | 71.8 | Confident | 13 Ų | 13 | 112.5 Ų | 112.5 | 7% | 0.067 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 176.7 | -49 | 175.4 | 0 | 0 | 0 | 111.1 | V59 N60 T486 H489 L490 Y495 R496 | V59-I498 HydrophobicContact CG1-CB 4.21Å; V59-I498 HydrophobicContact CG1-CD1 4.19Å; V59-I498 HydrophobicContact CG1-CG2 3.93Å; N60-I498 HydrophobicContact CB-CG2 3.81Å; T486-I498 HydrophobicContact CG2-CD1 4.23Å; T486-I498 HydrophobicContact CG2-CG2 4.32Å; H489-I498 HydrophobicContact CB-CD1 3.64Å; H489-I498 HydrophobicContact CB-CG1 3.51Å; L490-I498 HydrophobicContact CD2-CD1 3.83Å; L490-I498 HydrophobicContact CG-CD1 4.12Å; Y495-I498 PolarHBondContact O-N 2.83Å; R496-I498 PolarHBondContact O-N 3.39Å |
| 499 | R | 58.3 | Low | 70.6 | Confident | 216 Ų | 216 | 110.6 Ų | 110.6 | 82% | 0.815 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85.2 | -22.4 | -177.6 | -159.9 | 174.7 | -175.5 | 177.9 | 0.5 | 113.4 | Y495 R496 N497 | Y495-R499 PolarHBondContact O-N 3.47Å; R496-R499 PolarHBondContact O-N 3.3Å; N497-R499 VanDerWaalsContact C-N 3.35Å |
| 500 | S | 51.4 | Low | 69.2 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -98.2 | -8.3 | -178 | -161.3 | 0 | 0 | 0 | 0 | 114.7 | R496 R502 | R496-S500 VanDerWaalsContact O-CB 3.26Å; R496-S500 WeakPolarHBondContact O-CB 3.05Å; R496-S500 PolarHBondContact O-N 2.03Å; S500-R502 PolarHBondContact O-N 3.43Å; S500-R502 VanDerWaalsContact O-N 3.12Å |
| 501 | A | 52 | Low | 67.7 | Low | 72 Ų | 72 | 123.5 Ų | 123.5 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | trans | -76.6 | 91 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | N497 | N497-A501 WeakPolarHBondContact O-CB 3.02Å; N497-A501 PolarHBondContact O-N 3.38Å | ||
| 502 | R | 47.3 | Very low | 65.8 | Low | 289 Ų | 289 | 123.9 Ų | 123.9 | 100% | 1.091 | 59% | 0.586 | S | S | * | * | trans | -137.9 | 0 | -171.6 | -160.4 | 176.7 | -169.8 | -169.2 | -0.8 | 111.8 | S500 | S500-R502 PolarHBondContact O-N 3.43Å; S500-R502 VanDerWaalsContact O-N 3.12Å |
Retrieved 502 of 502 residues in 73.2 ms
(Link to these results)