| 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 | 56.5 | Low | 80.7 | Confident | 232 Ų | 232 | 153.8 Ų | 153.8 | 100% | 1.143 | 78% | 0.782 | S | S | * | * | 0 | 122.8 | 0 | -64.1 | -147.2 | 168.7 | 0 | 0 | 109.1 | R3 | M1-R3 PolarHBondContact O-N 3.01Š| |||
| 2 | P | 67.9 | Low | 81.8 | Confident | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130.5 | 173.1 | 26.5 | -31 | 0 | 0 | 0 | 108.7 | I4 | P2-I4 PolarHBondContact O-N 3.46Å; P2-I4 VanDerWaalsContact O-N 3.12Å |
| 3 | R | 65 | Low | 82.6 | Confident | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.9 | 174.5 | -70.3 | -173.5 | -168.4 | -158.6 | 3.6 | 108 | M1 K5 | M1-R3 PolarHBondContact O-N 3.01Å; R3-K5 PolarHBondContact O-N 3.18Å; R3-K5 VanDerWaalsContact O-N 3.11Å |
| 4 | I | 79.4 | Confident | 83.3 | Confident | 155 Ų | 155 | 137.4 Ų | 137.4 | 80% | 0.795 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 118.6 | 168.7 | -61.6 | 171.6 | 0 | 0 | 0 | 106.7 | P2 T6 | P2-I4 PolarHBondContact O-N 3.46Å; P2-I4 VanDerWaalsContact O-N 3.12Å; I4-T6 PolarHBondContact O-N 3.05Å |
| 5 | K | 82.6 | Confident | 84 | Confident | 193 Ų | 193 | 130.3 Ų | 130.3 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | trans | -67.1 | 106.7 | 178 | -69.6 | -177.2 | -178.9 | 177.5 | 0 | 108.3 | R3 V7 | R3-K5 PolarHBondContact O-N 3.18Å; R3-K5 VanDerWaalsContact O-N 3.11Å; K5-V7 PolarHBondContact O-N 2.93Å | ||
| 6 | T | 85.2 | Confident | 84.5 | Confident | 101 Ų | 101 | 138.1 Ų | 138.1 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | trans | -71.2 | 112.1 | 170.1 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | I4 H8 | I4-T6 PolarHBondContact O-N 3.05Å; T6-H8 WeakPolarHBondContact CB-NE2 3.49Å; T6-H8 PolarHBondContact O-CD2 3.17Å; T6-H8 VanDerWaalsContact O-CD2 3.26Å; T6-H8 PolarHBondContact O-N 3.46Å; T6-H8 PolarHBondContact O-NE2 3.39Å; T6-H8 PolarHBondContact OG1-CE1 3.4Å; T6-H8 PolarHBondContact OG1-NE2 2.89Å | ||
| 7 | V | 87.3 | Confident | 84.9 | Confident | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 69% | 0.694 | S | S | * | * | trans | -76.6 | 115.9 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | K5 | K5-V7 PolarHBondContact O-N 2.93Š| ||
| 8 | H | 89.7 | Confident | 85.2 | Confident | 156 Ų | 156 | 136.6 Ų | 136.6 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | -109.2 | 139 | 174.8 | -52.4 | -63.7 | 0 | 0 | 0 | 109.8 | T6 | T6-H8 WeakPolarHBondContact CB-NE2 3.49Å; T6-H8 PolarHBondContact O-CD2 3.17Å; T6-H8 VanDerWaalsContact O-CD2 3.26Å; T6-H8 PolarHBondContact O-N 3.46Å; T6-H8 PolarHBondContact O-NE2 3.39Å; T6-H8 PolarHBondContact OG1-CE1 3.4Å; T6-H8 PolarHBondContact OG1-NE2 2.89Å | ||
| 9 | S | 89.7 | Confident | 85.6 | Confident | 99 Ų | 99 | 140.6 Ų | 140.6 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | -125.8 | 151 | 178.2 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 10 | K | 91.8 | Very high | 85.9 | Confident | 174 Ų | 174 | 137.6 Ų | 137.6 | 76% | 0.757 | 67% | 0.674 | S | S | * | * | trans | -71.9 | 132.3 | 173.8 | -68.4 | -176.6 | 179.2 | 177.6 | 0 | 109.4 | Y47 | K10-Y47 WeakPolarHBondContact O-CE1 3.15Š| ||
| 11 | V | 92.4 | Very high | 86.3 | Confident | 75 Ų | 75 | 138.6 Ų | 138.6 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | trans | -100.3 | -1.2 | -178.3 | -170 | 0 | 0 | 0 | 0 | 112.1 | R44 Y47 | V11-R44 HydrophobicContact CG1-CG 4.31Å; V11-Y47 VanDerWaalsContact C-CD1 3.45Å; V11-Y47 VanDerWaalsContact O-CD1 3.23Å; V11-Y47 WeakPolarHBondContact O-CD1 3.25Å | ||
| 12 | Y | 93.6 | Very high | 88.1 | Confident | 77 Ų | 77 | 134.2 Ų | 134.2 | 30% | 0.302 | 65% | 0.651 | S | S | . | * | trans | -149.1 | 157.3 | 179.6 | 65.9 | -78.3 | 0 | 0 | 0 | 110.6 | T14 R40 W43 | Y12-T14 HydrophobicContact CE2-CG2 4.22Å; Y12-R40 HydrophobicContact CD1-CG 4.44Å; Y12-R40 HydrophobicContact CD2-CG 4.47Å; Y12-R40 VanDerWaalsContact CE1-NE 3.28Å; Y12-R40 HydrophobicContact CG-CG 4.43Å; Y12-W43 HydrophobicContact CD2-CE3 4.18Å; Y12-W43 HydrophobicContact CE2-CE3 4.5Å | ||
| 13 | A | 92.8 | Very high | 89.3 | Confident | 55 Ų | 55 | 129.5 Ų | 129.5 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | trans | -117 | 140.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y47 | A13-Y47 HydrophobicContact CB-CD2 3.82Å; A13-Y47 HydrophobicContact CB-CE2 4.32Å | ||
| 14 | T | 93.1 | Very high | 90.7 | Very high | 99 Ų | 99 | 120.5 Ų | 120.5 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | trans | -78.3 | 148.8 | 175.3 | 45.7 | 0 | 0 | 0 | 0 | 110.6 | Y12 W43 | Y12-T14 HydrophobicContact CE2-CG2 4.22Å; T14-W43 HydrophobicContact CG2-CE3 4.4Å; T14-W43 HydrophobicContact CG2-CZ3 4.11Å | ||
| 15 | P | 93 | Very high | 91.4 | Very high | 31 Ų | 31 | 116.6 Ų | 116.6 | 20% | 0.201 | 57% | 0.568 | C | S | . | * | trans | -58.7 | 142.1 | 174.8 | -21.1 | 31.6 | 0 | 0 | 0 | 111.6 | R23 W43 | P15-R23 VanDerWaalsContact CB-CZ 3.49Å; P15-R23 VanDerWaalsContact CG-NH1 3.33Å; P15-W43 HydrophobicContact CG-CD2 4.47Å; P15-W43 HydrophobicContact CG-CZ2 3.74Å | ||
| 16 | R | 91.5 | Very high | 92 | Very high | 255 Ų | 255 | 112.9 Ų | 112.9 | 96% | 0.962 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -65.7 | -38.5 | 175.9 | -71.1 | -175 | 174 | -171.9 | -2.7 | 112.4 | ||
| 17 | R | 91.7 | Very high | 92.4 | Very high | 176 Ų | 176 | 108.1 Ų | 108.1 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -114.3 | 102.8 | 178.6 | -67.8 | -179.3 | 179.4 | 169.8 | -2.6 | 109.9 | Y19 E20 R23 | R17-Y19 PolarHBondContact O-N 3.01Å; R17-E20 HydrophobicContact CB-CB 4.43Å; R17-R23 PolarHBondContact O-NE 2.96Å; R17-R23 PolarHBondContact O-NH2 3.11Å |
| 18 | P | 91.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 106.6 Ų | 106.6 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.2 | -173.7 | -26.1 | 36.1 | 0 | 0 | 0 | 115.5 | R23 | P18-R23 PolarHBondContact O-NH2 3.32Š|
| 19 | Y | 91.9 | Very high | 93 | Very high | 212 Ų | 212 | 106 Ų | 106 | 83% | 0.831 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 28.9 | -169.8 | -56.2 | -70.8 | 0 | 0 | 0 | 114.4 | R17 K21 | R17-Y19 PolarHBondContact O-N 3.01Å; Y19-K21 PolarHBondContact O-N 2.95Å |
| 20 | E | 92.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | trans | -79.2 | 112.6 | 175.9 | -175.4 | 169.7 | -138.2 | 0 | 0 | 110.5 | R17 E22 R23 L24 | R17-E20 HydrophobicContact CB-CB 4.43Å; E20-E22 PolarHBondContact O-N 2.84Å; E20-R23 HydrophobicContact CB-CB 4.22Å; E20-R23 HydrophobicContact CG-CB 4.21Å; E20-R23 PolarHBondContact O-N 3.44Å; E20-L24 WeakPolarHBondContact O-CG 3.4Å; E20-L24 PolarHBondContact O-N 3.28Å | ||
| 21 | K | 93.7 | Very high | 93.4 | Very high | 159 Ų | 159 | 95.4 Ų | 95.4 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -55.7 | -51.6 | -172.1 | -174.9 | 178.8 | 178.3 | -177.7 | 0 | 112.8 | Y19 R23 L24 D25 | Y19-K21 PolarHBondContact O-N 2.95Å; K21-R23 VanDerWaalsContact C-N 3.3Å; K21-R23 PolarHBondContact O-N 2.92Å; K21-L24 WeakPolarHBondContact O-CB 3.47Å; K21-L24 PolarHBondContact O-N 2.84Å; K21-D25 PolarHBondContact O-N 3.22Å |
| 22 | E | 93.4 | Very high | 93.4 | Very high | 140 Ų | 140 | 94.1 Ų | 94.1 | 65% | 0.654 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -57.2 | -43.3 | -178.9 | -62.6 | -176.7 | 172.7 | 0 | 0 | 112.4 | E20 D25 Q26 | E20-E22 PolarHBondContact O-N 2.84Å; E22-D25 PolarHBondContact O-N 3.45Å; E22-Q26 WeakPolarHBondContact O-CB 3.44Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.29Å; E22-Q26 PolarHBondContact O-N 2.93Å |
| 23 | R | 94.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 95.7 Ų | 95.7 | 11% | 0.106 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 177.1 | -174.2 | -175 | 61.3 | 67.8 | 5 | 111.3 | P15 R17 P18 E20 K21 E27 | P15-R23 VanDerWaalsContact CB-CZ 3.49Å; P15-R23 VanDerWaalsContact CG-NH1 3.33Å; R17-R23 PolarHBondContact O-NE 2.96Å; R17-R23 PolarHBondContact O-NH2 3.11Å; P18-R23 PolarHBondContact O-NH2 3.32Å; E20-R23 HydrophobicContact CB-CB 4.22Å; E20-R23 HydrophobicContact CG-CB 4.21Å; E20-R23 PolarHBondContact O-N 3.44Å; K21-R23 VanDerWaalsContact C-N 3.3Å; K21-R23 PolarHBondContact O-N 2.92Å; R23-E27 IonicContact CZ-OE1 4Å; R23-E27 IonicContact NH1-OE1 2.92Å; R23-E27 PolarHBondContact NH1-OE1 3.47Å; R23-E27 IonicContact NH1-OE2 2.95Å; R23-E27 PolarHBondContact NH1-OE2 2.95Å; R23-E27 WeakPolarHBondContact O-CB 3.2Å; R23-E27 VanDerWaalsContact O-CG 3.25Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.5Å |
| 24 | L | 93.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 94.6 Ų | 94.6 | 27% | 0.272 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 178.4 | -72.7 | 174.9 | 0 | 0 | 0 | 111.3 | E20 K21 E27 L28 K39 | E20-L24 WeakPolarHBondContact O-CG 3.4Å; E20-L24 PolarHBondContact O-N 3.28Å; K21-L24 WeakPolarHBondContact O-CB 3.47Å; K21-L24 PolarHBondContact O-N 2.84Å; L24-E27 PolarHBondContact O-N 3Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.94Å; L24-K39 PolarHBondContact O-NZ 2.89Å |
| 25 | D | 95.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 90 Ų | 90 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 178.8 | -68.6 | -19.6 | 0 | 0 | 0 | 111.4 | K21 E22 E27 L28 K29 | K21-D25 PolarHBondContact O-N 3.22Å; E22-D25 PolarHBondContact O-N 3.45Å; D25-E27 PolarHBondContact O-N 3.02Å; D25-L28 PolarHBondContact O-N 3.21Å; D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 3.48Å |
| 26 | Q | 93.6 | Very high | 93.6 | Very high | 116 Ų | 116 | 89 Ų | 89 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 173.6 | -73.1 | 171.2 | 8.6 | 0 | 0 | 112.1 | E22 L28 K29 L30 | E22-Q26 WeakPolarHBondContact O-CB 3.44Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.29Å; E22-Q26 PolarHBondContact O-N 2.93Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 2.86Å; Q26-K29 PolarHBondContact O-N 3.2Å; Q26-L30 WeakPolarHBondContact O-CG 3.45Å; Q26-L30 PolarHBondContact O-N 3.34Å; Q26-L30 VanDerWaalsContact O-N 3.09Å |
| 27 | E | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.7 | -75.2 | 176.7 | -177.5 | 0 | 0 | 111.9 | R23 L24 D25 I31 K39 V42 W43 K46 | R23-E27 IonicContact CZ-OE1 4Å; R23-E27 IonicContact NH1-OE1 2.92Å; R23-E27 PolarHBondContact NH1-OE1 3.47Å; R23-E27 IonicContact NH1-OE2 2.95Å; R23-E27 PolarHBondContact NH1-OE2 2.95Å; R23-E27 WeakPolarHBondContact O-CB 3.2Å; R23-E27 VanDerWaalsContact O-CG 3.25Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.5Å; L24-E27 PolarHBondContact O-N 3Å; D25-E27 PolarHBondContact O-N 3.02Å; E27-I31 WeakPolarHBondContact O-CB 3.38Å; E27-I31 WeakPolarHBondContact O-CD1 3.35Å; E27-I31 WeakPolarHBondContact O-CG1 3.35Å; E27-I31 PolarHBondContact O-N 2.94Å; E27-K39 IonicContact OE2-NZ 3.41Å; E27-K39 PolarHBondContact OE2-NZ 3.02Å; E27-V42 HydrophobicContact CG-CG1 4.2Å; E27-W43 PolarHBondContact OE1-NE1 2.97Å; E27-W43 PolarHBondContact OE2-NE1 3.36Å; E27-K46 IonicContact OE1-NZ 2.99Å; E27-K46 PolarHBondContact OE1-NZ 3.49Å |
| 28 | L | 94.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 81.7 Ų | 81.7 | 56% | 0.555 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.4 | -42.8 | 177.6 | -170.4 | 66.1 | 0 | 0 | 0 | 111.4 | L24 D25 Q26 L30 I31 G32 | L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.94Å; D25-L28 PolarHBondContact O-N 3.21Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 2.86Å; L28-L30 PolarHBondContact O-N 2.75Å; L28-I31 PolarHBondContact O-N 2.83Å; L28-G32 PolarHBondContact O-N 3.26Å |
| 29 | K | 95.2 | Very high | 93.8 | Very high | 144 Ų | 144 | 81 Ų | 81 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56 | -50.3 | 172.6 | -72.5 | 178.1 | -179 | -175.6 | 0 | 111.4 | D25 Q26 I31 G32 E33 | D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 3.48Å; Q26-K29 PolarHBondContact O-N 3.2Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 3.44Å; K29-G32 PolarHBondContact O-N 3.38Å; K29-G32 VanDerWaalsContact O-N 3.15Å; K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 3.38Å |
| 30 | L | 95 | Very high | 93.9 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -36.2 | 176.8 | -69.6 | 173.9 | 0 | 0 | 0 | 113.1 | Q26 L28 Y34 V42 V103 E104 L107 | Q26-L30 WeakPolarHBondContact O-CG 3.45Å; Q26-L30 PolarHBondContact O-N 3.34Å; Q26-L30 VanDerWaalsContact O-N 3.09Å; L28-L30 PolarHBondContact O-N 2.75Å; L30-Y34 HydrophobicContact CD2-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CE2 4.15Å; L30-Y34 WeakPolarHBondContact O-CD2 3.32Å; L30-Y34 PolarHBondContact O-N 2.96Å; L30-V42 HydrophobicContact CD1-CG1 4.18Å; L30-V103 HydrophobicContact CD1-CB 4.48Å; L30-V103 HydrophobicContact CD1-CG1 4.2Å; L30-E104 HydrophobicContact CD2-CG 3.91Å; L30-L107 HydrophobicContact CB-CD1 4.43Å; L30-L107 HydrophobicContact CD2-CD1 4.17Å |
| 31 | I | 95 | Very high | 94 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.159 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176.5 | -74 | 163.4 | 0 | 0 | 0 | 110.7 | E27 L28 K29 G35 L36 K39 V42 | E27-I31 WeakPolarHBondContact O-CB 3.38Å; E27-I31 WeakPolarHBondContact O-CD1 3.35Å; E27-I31 WeakPolarHBondContact O-CG1 3.35Å; E27-I31 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 2.83Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 3.44Å; I31-G35 VanDerWaalsContact O-CA 3.3Å; I31-G35 WeakPolarHBondContact O-CA 3.25Å; I31-G35 PolarHBondContact O-N 2.96Å; I31-L36 HydrophobicContact CB-CB 4.43Å; I31-L36 HydrophobicContact CG1-CB 4.1Å; I31-L36 HydrophobicContact CG1-CD1 4.35Å; I31-L36 HydrophobicContact CG2-CB 4.4Å; I31-L36 WeakPolarHBondContact CG2-O 3.44Å; I31-L36 PolarHBondContact O-N 3.42Å; I31-L36 VanDerWaalsContact O-N 3.1Å; I31-K39 HydrophobicContact CD1-CB 4.43Å; I31-K39 HydrophobicContact CD1-CG 3.58Å; I31-V42 HydrophobicContact CD1-CG2 4.47Å; I31-V42 HydrophobicContact CG1-CG2 3.95Å |
| 32 | G | 93 | Very high | 94 | Very high | 47 Ų | 47 | 66 Ų | 66 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -49.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L28 K29 Y34 | L28-G32 PolarHBondContact O-N 3.26Å; K29-G32 PolarHBondContact O-N 3.38Å; K29-G32 VanDerWaalsContact O-N 3.15Å; G32-Y34 PolarHBondContact O-N 3.22Å |
| 33 | E | 93.4 | Very high | 94.1 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.5 | -31.1 | -177.3 | -74 | 177.5 | -174.2 | 0 | 0 | 114.1 | K29 I124 | K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 3.38Å; E33-I124 WeakPolarHBondContact O-CD1 3.32Å |
| 34 | Y | 94.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 65 Ų | 65 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -112.8 | 4.7 | -176.6 | -64.7 | -87.7 | 0 | 0 | 0 | 113.4 | L30 G32 L36 E104 L107 Q112 T113 I124 | L30-Y34 HydrophobicContact CD2-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CE2 4.15Å; L30-Y34 WeakPolarHBondContact O-CD2 3.32Å; L30-Y34 PolarHBondContact O-N 2.96Å; G32-Y34 PolarHBondContact O-N 3.22Å; Y34-L36 PolarHBondContact O-N 2.97Å; Y34-E104 HydrophobicContact CE2-CG 4.34Å; Y34-L107 HydrophobicContact CD1-CB 3.51Å; Y34-L107 HydrophobicContact CD2-CB 4Å; Y34-L107 HydrophobicContact CD2-CD1 3.7Å; Y34-L107 HydrophobicContact CD2-CG 4.48Å; Y34-L107 HydrophobicContact CE1-CB 3.58Å; Y34-L107 HydrophobicContact CE2-CB 4.08Å; Y34-L107 HydrophobicContact CE2-CD1 4.07Å; Y34-L107 HydrophobicContact CG-CB 3.73Å; Y34-L107 HydrophobicContact CG-CD1 4.03Å; Y34-L107 HydrophobicContact CG-CG 4.41Å; Y34-Q112 PolarHBondContact O-NE2 3.05Å; Y34-T113 HydrophobicContact CD1-CG2 4.02Å; Y34-T113 HydrophobicContact CE1-CG2 4.08Å; Y34-I124 VanDerWaalsContact O-CG2 3.27Å; Y34-I124 WeakPolarHBondContact O-CG2 3.24Å |
| 35 | G | 93 | Very high | 94.2 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 48.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I31 Q112 | I31-G35 VanDerWaalsContact O-CA 3.3Å; I31-G35 WeakPolarHBondContact O-CA 3.25Å; I31-G35 PolarHBondContact O-N 2.96Å; G35-Q112 PolarHBondContact O-NE2 3.42Å |
| 36 | L | 94.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -80.5 | 145.4 | -179.9 | -58.2 | 178.1 | 0 | 0 | 0 | 110.8 | I31 Y34 E41 V42 L107 | I31-L36 HydrophobicContact CB-CB 4.43Å; I31-L36 HydrophobicContact CG1-CB 4.1Å; I31-L36 HydrophobicContact CG1-CD1 4.35Å; I31-L36 HydrophobicContact CG2-CB 4.4Å; I31-L36 WeakPolarHBondContact CG2-O 3.44Å; I31-L36 PolarHBondContact O-N 3.42Å; I31-L36 VanDerWaalsContact O-N 3.1Å; Y34-L36 PolarHBondContact O-N 2.97Å; L36-E41 HydrophobicContact CB-CB 4.46Å; L36-E41 HydrophobicContact CD1-CB 4.5Å; L36-E41 HydrophobicContact CD2-CB 4.28Å; L36-V42 HydrophobicContact CD1-CG2 3.43Å; L36-V42 VanDerWaalsContact CD1-CG2 3.43Å; L36-L107 HydrophobicContact CD1-CD1 4.31Å; L36-L107 HydrophobicContact CD1-CD2 4.15Å; L36-L107 HydrophobicContact CD2-CD2 4.19Å | ||
| 37 | R | 92.8 | Very high | 94.3 | Very high | 193 Ų | 193 | 60.9 Ų | 60.9 | 73% | 0.728 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -75.1 | -46.2 | -179 | -170.7 | -172.3 | 166.9 | 175.6 | -2 | 112.2 | E41 | R37-E41 PolarHBondContact N-OE1 2.98Š|
| 38 | N | 92.6 | Very high | 94.2 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -137.3 | 154.5 | -174.1 | -64.3 | 3.9 | 0 | 0 | 0 | 110.8 | R40 E41 | N38-R40 HydrophobicContact CB-CB 4.31Å; N38-R40 PolarHBondContact O-N 3.43Å; N38-E41 WeakPolarHBondContact O-CB 3.47Å; N38-E41 PolarHBondContact O-N 3.49Å |
| 39 | K | 93.2 | Very high | 94.2 | Very high | 60 Ų | 60 | 59 Ų | 59 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -53.4 | -27.3 | 169.3 | -72.4 | 178.3 | 179.9 | -79.3 | 0 | 113.3 | L24 E27 I31 E41 V42 W43 | L24-K39 PolarHBondContact O-NZ 2.89Å; E27-K39 IonicContact OE2-NZ 3.41Å; E27-K39 PolarHBondContact OE2-NZ 3.02Å; I31-K39 HydrophobicContact CD1-CB 4.43Å; I31-K39 HydrophobicContact CD1-CG 3.58Å; K39-E41 PolarHBondContact O-N 3.22Å; K39-V42 WeakPolarHBondContact O-CB 3.31Å; K39-V42 PolarHBondContact O-N 2.89Å; K39-W43 HydrophobicContact CB-CZ2 3.94Å; K39-W43 PolarHBondContact O-N 3.35Å |
| 40 | R | 94.4 | Very high | 94.1 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.3 | -34 | 173.6 | -173 | 178.9 | 178.7 | -145.3 | 4.4 | 113.2 | Y12 N38 W43 R44 | Y12-R40 HydrophobicContact CD1-CG 4.44Å; Y12-R40 HydrophobicContact CD2-CG 4.47Å; Y12-R40 VanDerWaalsContact CE1-NE 3.28Å; Y12-R40 HydrophobicContact CG-CG 4.43Å; N38-R40 HydrophobicContact CB-CB 4.31Å; N38-R40 PolarHBondContact O-N 3.43Å; R40-W43 PolarHBondContact O-N 3.31Å; R40-R44 VanDerWaalsContact NH2-NH2 3.2Å; R40-R44 WeakPolarHBondContact O-CG 3.4Å; R40-R44 PolarHBondContact O-N 3.24Å |
| 41 | E | 94 | Very high | 94 | Very high | 28 Ų | 28 | 61 Ų | 61 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.6 | -65.5 | -164.2 | -146.3 | 0 | 0 | 111.1 | L36 R37 N38 K39 W43 R44 V45 R110 R128 | L36-E41 HydrophobicContact CB-CB 4.46Å; L36-E41 HydrophobicContact CD1-CB 4.5Å; L36-E41 HydrophobicContact CD2-CB 4.28Å; R37-E41 PolarHBondContact N-OE1 2.98Å; N38-E41 WeakPolarHBondContact O-CB 3.47Å; N38-E41 PolarHBondContact O-N 3.49Å; K39-E41 PolarHBondContact O-N 3.22Å; E41-W43 VanDerWaalsContact C-N 3.33Å; E41-W43 PolarHBondContact O-N 2.94Å; E41-R44 PolarHBondContact O-N 3.14Å; E41-V45 PolarHBondContact O-N 2.89Å; E41-R110 IonicContact OE2-CZ 3.1Å; E41-R110 IonicContact OE2-NH1 3.55Å; E41-R110 PolarHBondContact OE2-NH1 2.96Å; E41-R110 IonicContact OE2-NH2 2.77Å; E41-R110 PolarHBondContact OE2-NH2 3.49Å; E41-R128 IonicContact OE1-CZ 3.5Å; E41-R128 IonicContact OE1-NH1 3.99Å; E41-R128 PolarHBondContact OE1-NH1 2.83Å; E41-R128 IonicContact OE1-NH2 3.34Å; E41-R128 PolarHBondContact OE1-NH2 3.28Å; E41-R128 IonicContact OE2-NH1 3.65Å |
| 42 | V | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | E27 L30 I31 L36 K39 R44 V45 K46 | E27-V42 HydrophobicContact CG-CG1 4.2Å; L30-V42 HydrophobicContact CD1-CG1 4.18Å; I31-V42 HydrophobicContact CD1-CG2 4.47Å; I31-V42 HydrophobicContact CG1-CG2 3.95Å; L36-V42 HydrophobicContact CD1-CG2 3.43Å; L36-V42 VanDerWaalsContact CD1-CG2 3.43Å; K39-V42 WeakPolarHBondContact O-CB 3.31Å; K39-V42 PolarHBondContact O-N 2.89Å; V42-R44 VanDerWaalsContact C-N 3.33Å; V42-R44 PolarHBondContact O-N 3.47Å; V42-V45 PolarHBondContact O-N 3.48Å; V42-K46 HydrophobicContact CG1-CD 4.14Å; V42-K46 HydrophobicContact CG1-CG 4.28Å; V42-K46 WeakPolarHBondContact O-CG 3.4Å; V42-K46 PolarHBondContact O-N 3.32Å |
| 43 | W | 95.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -31.4 | -179.3 | -57.7 | -19.1 | 0 | 0 | 0 | 113.7 | Y12 T14 P15 E27 K39 R40 E41 Y47 | Y12-W43 HydrophobicContact CD2-CE3 4.18Å; Y12-W43 HydrophobicContact CE2-CE3 4.5Å; T14-W43 HydrophobicContact CG2-CE3 4.4Å; T14-W43 HydrophobicContact CG2-CZ3 4.11Å; P15-W43 HydrophobicContact CG-CD2 4.47Å; P15-W43 HydrophobicContact CG-CZ2 3.74Å; E27-W43 PolarHBondContact OE1-NE1 2.97Å; E27-W43 PolarHBondContact OE2-NE1 3.36Å; K39-W43 HydrophobicContact CB-CZ2 3.94Å; K39-W43 PolarHBondContact O-N 3.35Å; R40-W43 PolarHBondContact O-N 3.31Å; E41-W43 VanDerWaalsContact C-N 3.33Å; E41-W43 PolarHBondContact O-N 2.94Å; W43-Y47 WeakPolarHBondContact O-CB 3.3Å; W43-Y47 PolarHBondContact O-N 3.02Å |
| 44 | R | 95 | Very high | 93.8 | Very high | 94 Ų | 94 | 63.4 Ų | 63.4 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 172 | -73.9 | -179.8 | -174.1 | -167.4 | 0.5 | 111.2 | V11 R40 E41 V42 Y47 T48 | V11-R44 HydrophobicContact CG1-CG 4.31Å; R40-R44 VanDerWaalsContact NH2-NH2 3.2Å; R40-R44 WeakPolarHBondContact O-CG 3.4Å; R40-R44 PolarHBondContact O-N 3.24Å; E41-R44 PolarHBondContact O-N 3.14Å; V42-R44 VanDerWaalsContact C-N 3.33Å; V42-R44 PolarHBondContact O-N 3.47Å; R44-Y47 PolarHBondContact O-N 2.92Å; R44-T48 PolarHBondContact O-N 3.19Å; R44-T48 PolarHBondContact O-OG1 3.29Å |
| 45 | V | 94.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | E41 V42 Y47 T48 L49 V103 F106 L107 | E41-V45 PolarHBondContact O-N 2.89Å; V42-V45 PolarHBondContact O-N 3.48Å; V45-Y47 VanDerWaalsContact C-N 3.28Å; V45-Y47 PolarHBondContact O-N 3.37Å; V45-T48 WeakPolarHBondContact CA-OG1 3.49Å; V45-T48 PolarHBondContact O-N 2.82Å; V45-T48 PolarHBondContact O-OG1 2.95Å; V45-L49 VanDerWaalsContact O-CB 3.32Å; V45-L49 WeakPolarHBondContact O-CB 3.49Å; V45-L49 PolarHBondContact O-N 3.37Å; V45-V103 HydrophobicContact CB-CG1 4.27Å; V45-V103 HydrophobicContact CG1-CG1 3.81Å; V45-F106 HydrophobicContact CG1-CB 3.46Å; V45-F106 VanDerWaalsContact CG1-CB 3.46Å; V45-F106 HydrophobicContact CG1-CG 4.13Å; V45-L107 HydrophobicContact CG2-CD2 3.91Å |
| 46 | K | 94.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 172.2 | -75.2 | -176.7 | 176.6 | -178.8 | 0 | 111.4 | E27 V42 L49 A50 V103 | E27-K46 IonicContact OE1-NZ 2.99Å; E27-K46 PolarHBondContact OE1-NZ 3.49Å; V42-K46 HydrophobicContact CG1-CD 4.14Å; V42-K46 HydrophobicContact CG1-CG 4.28Å; V42-K46 WeakPolarHBondContact O-CG 3.4Å; V42-K46 PolarHBondContact O-N 3.32Å; K46-L49 PolarHBondContact O-N 2.9Å; K46-A50 VanDerWaalsContact O-CB 3.28Å; K46-A50 WeakPolarHBondContact O-CB 3.39Å; K46-A50 PolarHBondContact O-N 2.98Å; K46-V103 HydrophobicContact CG-CG2 3.87Å |
| 47 | Y | 95 | Very high | 93.2 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 178.2 | -176.6 | -104.7 | 0 | 0 | 0 | 112.5 | K10 V11 A13 W43 R44 V45 A50 R51 | K10-Y47 WeakPolarHBondContact O-CE1 3.15Å; V11-Y47 VanDerWaalsContact C-CD1 3.45Å; V11-Y47 VanDerWaalsContact O-CD1 3.23Å; V11-Y47 WeakPolarHBondContact O-CD1 3.25Å; A13-Y47 HydrophobicContact CB-CD2 3.82Å; A13-Y47 HydrophobicContact CB-CE2 4.32Å; W43-Y47 WeakPolarHBondContact O-CB 3.3Å; W43-Y47 PolarHBondContact O-N 3.02Å; R44-Y47 PolarHBondContact O-N 2.92Å; V45-Y47 VanDerWaalsContact C-N 3.28Å; V45-Y47 PolarHBondContact O-N 3.37Å; Y47-A50 PolarHBondContact O-N 3.41Å; Y47-R51 HydrophobicContact CE1-CG 4.31Å; Y47-R51 WeakPolarHBondContact O-CG 3.44Å; Y47-R51 PolarHBondContact O-N 2.91Å |
| 48 | T | 93.3 | Very high | 93 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | R44 V45 A50 R51 I52 | R44-T48 PolarHBondContact O-N 3.19Å; R44-T48 PolarHBondContact O-OG1 3.29Å; V45-T48 WeakPolarHBondContact CA-OG1 3.49Å; V45-T48 PolarHBondContact O-N 2.82Å; V45-T48 PolarHBondContact O-OG1 2.95Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.36Å; T48-R51 PolarHBondContact O-N 3.34Å; T48-I52 VanDerWaalsContact O-CG1 3.28Å; T48-I52 WeakPolarHBondContact O-CG1 3.36Å; T48-I52 PolarHBondContact O-N 3.14Å |
| 49 | L | 94 | Very high | 92.7 | Very high | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.8 | 179.1 | 64.2 | 0 | 0 | 0 | 111.2 | V45 K46 R51 I52 R53 L101 V103 F106 | V45-L49 VanDerWaalsContact O-CB 3.32Å; V45-L49 WeakPolarHBondContact O-CB 3.49Å; V45-L49 PolarHBondContact O-N 3.37Å; K46-L49 PolarHBondContact O-N 2.9Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.5Å; L49-I52 PolarHBondContact O-N 3.16Å; L49-R53 HydrophobicContact CD1-CG 4.26Å; L49-R53 WeakPolarHBondContact O-CB 3.34Å; L49-R53 WeakPolarHBondContact O-CG 3.47Å; L49-R53 PolarHBondContact O-N 3.26Å; L49-L101 HydrophobicContact CD1-CB 3.69Å; L49-V103 HydrophobicContact CD2-CG2 3.88Å; L49-F106 HydrophobicContact CD1-CD2 4.31Å; L49-F106 HydrophobicContact CD1-CE2 3.74Å |
| 50 | A | 94.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K46 Y47 T48 R53 K54 | K46-A50 VanDerWaalsContact O-CB 3.28Å; K46-A50 WeakPolarHBondContact O-CB 3.39Å; K46-A50 PolarHBondContact O-N 2.98Å; Y47-A50 PolarHBondContact O-N 3.41Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.36Å; A50-R53 PolarHBondContact O-N 3.16Å; A50-K54 WeakPolarHBondContact O-CB 3.31Å; A50-K54 PolarHBondContact O-N 3.27Å |
| 51 | R | 92.8 | Very high | 92 | Very high | 153 Ų | 153 | 61 Ų | 61 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -48.3 | 173.5 | -74.3 | -176.9 | 64.7 | -172.7 | 0.4 | 111.4 | Y47 T48 L49 R53 K54 T55 | Y47-R51 HydrophobicContact CE1-CG 4.31Å; Y47-R51 WeakPolarHBondContact O-CG 3.44Å; Y47-R51 PolarHBondContact O-N 2.91Å; T48-R51 PolarHBondContact O-N 3.34Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.5Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.41Å; R51-K54 WeakPolarHBondContact O-CB 3.36Å; R51-K54 PolarHBondContact O-N 2.87Å; R51-K54 VanDerWaalsContact O-N 3.11Å; R51-T55 WeakPolarHBondContact O-CG2 3.35Å; R51-T55 PolarHBondContact O-N 2.91Å; R51-T55 PolarHBondContact O-OG1 3.45Å |
| 52 | I | 91.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 178.2 | -69.4 | 169.1 | 0 | 0 | 0 | 111.5 | T48 L49 T55 A56 L78 L82 V98 F106 | T48-I52 VanDerWaalsContact O-CG1 3.28Å; T48-I52 WeakPolarHBondContact O-CG1 3.36Å; T48-I52 PolarHBondContact O-N 3.14Å; L49-I52 PolarHBondContact O-N 3.16Å; I52-T55 WeakPolarHBondContact CA-OG1 3.5Å; I52-T55 PolarHBondContact O-OG1 3.12Å; I52-A56 WeakPolarHBondContact O-CB 3.34Å; I52-A56 PolarHBondContact O-N 3.25Å; I52-L78 HydrophobicContact CG1-CD1 4.12Å; I52-L78 HydrophobicContact CG2-CD1 4.09Å; I52-L78 HydrophobicContact CG2-CD2 4.2Å; I52-L78 HydrophobicContact CG2-CG 4.5Å; I52-L82 HydrophobicContact CD1-CD2 4.29Å; I52-L82 HydrophobicContact CG2-CD1 4.27Å; I52-V98 HydrophobicContact CG2-CG1 3.49Å; I52-V98 VanDerWaalsContact CG2-CG1 3.49Å; I52-F106 HydrophobicContact CD1-CE1 3.93Å; I52-F106 HydrophobicContact CD1-CZ 3.52Å |
| 53 | R | 93.1 | Very high | 91.1 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.6 | -27.1 | 175.8 | -71.1 | 179 | 70.5 | 154.7 | 1.2 | 113 | L49 A50 R51 R57 L99 | L49-R53 HydrophobicContact CD1-CG 4.26Å; L49-R53 WeakPolarHBondContact O-CB 3.34Å; L49-R53 WeakPolarHBondContact O-CG 3.47Å; L49-R53 PolarHBondContact O-N 3.26Å; A50-R53 PolarHBondContact O-N 3.16Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.41Å; R53-R57 WeakPolarHBondContact O-CG 3.32Å; R53-R57 PolarHBondContact O-N 3.3Å; R53-R57 VanDerWaalsContact O-N 3.15Å; R53-R57 PolarHBondContact O-NE 2.85Å; R53-L99 PolarHBondContact NE-O 3.02Å; R53-L99 PolarHBondContact NH1-O 3.21Å; R53-L99 PolarHBondContact NH2-O 3.43Å |
| 54 | K | 92.6 | Very high | 90.3 | Very high | 114 Ų | 114 | 71.2 Ų | 71.2 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.4 | -51.4 | 173.3 | -176.3 | -178.1 | 169.1 | -178.1 | 0 | 109.9 | A50 R51 A56 R57 E58 | A50-K54 WeakPolarHBondContact O-CB 3.31Å; A50-K54 PolarHBondContact O-N 3.27Å; R51-K54 WeakPolarHBondContact O-CB 3.36Å; R51-K54 PolarHBondContact O-N 2.87Å; R51-K54 VanDerWaalsContact O-N 3.11Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.46Å; K54-R57 PolarHBondContact O-N 2.9Å; K54-R57 VanDerWaalsContact O-N 3.15Å; K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 IonicContact NZ-OE1 3.18Å; K54-E58 PolarHBondContact O-N 2.87Å |
| 55 | T | 89.5 | Confident | 89.7 | Confident | 27 Ų | 27 | 75 Ų | 75 | 17% | 0.166 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.4 | 55.2 | 0 | 0 | 0 | 0 | 111 | R51 I52 R57 E58 L59 E74 | R51-T55 WeakPolarHBondContact O-CG2 3.35Å; R51-T55 PolarHBondContact O-N 2.91Å; R51-T55 PolarHBondContact O-OG1 3.45Å; I52-T55 WeakPolarHBondContact CA-OG1 3.5Å; I52-T55 PolarHBondContact O-OG1 3.12Å; T55-R57 PolarHBondContact O-N 3.39Å; T55-E58 PolarHBondContact O-N 2.88Å; T55-L59 WeakPolarHBondContact O-CB 3.4Å; T55-L59 WeakPolarHBondContact O-CD1 3.34Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.14Å; T55-E74 WeakPolarHBondContact CB-OE2 3.37Å; T55-E74 WeakPolarHBondContact CG2-OE1 3.44Å; T55-E74 VanDerWaalsContact CG2-OE2 3.24Å; T55-E74 WeakPolarHBondContact CG2-OE2 3.36Å |
| 56 | A | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I52 K54 L59 L60 V98 L99 | I52-A56 WeakPolarHBondContact O-CB 3.34Å; I52-A56 PolarHBondContact O-N 3.25Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 3.32Å; A56-L60 VanDerWaalsContact O-CG 3.29Å; A56-L60 WeakPolarHBondContact O-CG 3.36Å; A56-L60 PolarHBondContact O-N 3.45Å; A56-L60 VanDerWaalsContact O-N 3.08Å; A56-V98 HydrophobicContact CB-CB 4.17Å; A56-V98 HydrophobicContact CB-CG1 3.91Å; A56-L99 HydrophobicContact CB-CD2 4.02Å |
| 57 | R | 91.3 | Very high | 88.2 | Confident | 148 Ų | 148 | 77.7 Ų | 77.7 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 176.6 | -77.4 | -177.6 | -67.8 | 153.5 | -0.1 | 112.5 | R53 K54 T55 L59 L60 T61 L99 | R53-R57 WeakPolarHBondContact O-CG 3.32Å; R53-R57 PolarHBondContact O-N 3.3Å; R53-R57 VanDerWaalsContact O-N 3.15Å; R53-R57 PolarHBondContact O-NE 2.85Å; K54-R57 PolarHBondContact O-N 2.9Å; K54-R57 VanDerWaalsContact O-N 3.15Å; T55-R57 PolarHBondContact O-N 3.39Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.41Å; R57-L60 PolarHBondContact O-N 3.18Å; R57-T61 PolarHBondContact O-N 3.47Å; R57-L99 HydrophobicContact CG-CD2 3.75Å |
| 58 | E | 88.1 | Confident | 87.2 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 177.5 | -70.8 | 170.5 | 178.4 | 0 | 0 | 111.2 | K54 T55 T61 | K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 IonicContact NZ-OE1 3.18Å; K54-E58 PolarHBondContact O-N 2.87Å; T55-E58 PolarHBondContact O-N 2.88Å; E58-T61 PolarHBondContact O-N 3.43Å; E58-T61 PolarHBondContact O-OG1 2.8Å |
| 59 | L | 85.2 | Confident | 86.3 | Confident | 6 Ų | 6 | 82.5 Ų | 82.5 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 176.2 | -69.2 | 164.2 | 0 | 0 | 0 | 113.6 | T55 A56 R57 T61 L62 R69 E74 L95 | T55-L59 WeakPolarHBondContact O-CB 3.4Å; T55-L59 WeakPolarHBondContact O-CD1 3.34Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.14Å; A56-L59 PolarHBondContact O-N 3.32Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.41Å; L59-T61 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 3.12Å; L59-R69 PolarHBondContact O-NH1 2.93Å; L59-E74 HydrophobicContact CD1-CB 3.62Å; L59-E74 VanDerWaalsContact CD1-O 3.29Å; L59-E74 WeakPolarHBondContact CD1-O 3.34Å; L59-E74 HydrophobicContact CD2-CB 4.04Å; L59-E74 HydrophobicContact CG-CB 4.11Å; L59-L95 HydrophobicContact CB-CD1 3.79Å; L59-L95 HydrophobicContact CD1-CD1 4.35Å; L59-L95 HydrophobicContact CD1-CD2 4.05Å |
| 60 | L | 86.6 | Confident | 85.2 | Confident | 52 Ų | 52 | 85.9 Ų | 85.9 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70 | -21.3 | 179.4 | -76.9 | 168.9 | 0 | 0 | 0 | 112.8 | A56 R57 L62 L95 D96 L99 | A56-L60 VanDerWaalsContact O-CG 3.29Å; A56-L60 WeakPolarHBondContact O-CG 3.36Å; A56-L60 PolarHBondContact O-N 3.45Å; A56-L60 VanDerWaalsContact O-N 3.08Å; R57-L60 PolarHBondContact O-N 3.18Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L95 HydrophobicContact CD1-CB 4.48Å; L60-L95 HydrophobicContact CD2-CB 3.81Å; L60-L95 HydrophobicContact CD2-CD1 4.32Å; L60-L95 HydrophobicContact CG-CB 4.08Å; L60-L95 HydrophobicContact CG-CD1 4.48Å; L60-D96 WeakPolarHBondContact CD2-OD1 3.49Å; L60-L99 HydrophobicContact CD1-CD1 3.62Å; L60-L99 HydrophobicContact CD1-CG 4.21Å |
| 61 | T | 87.4 | Confident | 83.5 | Confident | 119 Ų | 119 | 92.5 Ų | 92.5 | 73% | 0.73 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.1 | 174.4 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | R57 E58 L59 | R57-T61 PolarHBondContact O-N 3.47Å; E58-T61 PolarHBondContact O-N 3.43Å; E58-T61 PolarHBondContact O-OG1 2.8Å; L59-T61 PolarHBondContact O-N 2.95Å |
| 62 | L | 85.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 92.9 Ų | 92.9 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -87.2 | 152.6 | 179 | -62.7 | 173.2 | 0 | 0 | 0 | 110.7 | L59 L60 D66 R68 R69 | L59-L62 PolarHBondContact O-N 3.12Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L62-D66 HydrophobicContact CB-CB 4.32Å; L62-R68 HydrophobicContact CD1-CB 3.92Å; L62-R69 PolarHBondContact O-NH1 3.49Å |
| 63 | D | 84.2 | Confident | 79.5 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | trans | -65.4 | 149.7 | 177.1 | -173.1 | 23.8 | 0 | 0 | 0 | 110.4 | K65 D66 R69 | D63-K65 PolarHBondContact O-N 2.87Å; D63-D66 PolarHBondContact N-OD2 2.85Å; D63-D66 WeakPolarHBondContact O-CB 3.34Å; D63-D66 PolarHBondContact O-N 2.87Å; D63-R69 WeakPolarHBondContact O-CD 3.39Å | ||
| 64 | E | 79.4 | Confident | 77.7 | Confident | 140 Ų | 140 | 92.7 Ų | 92.7 | 65% | 0.654 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.7 | -177.7 | -67.8 | -162.9 | 157.9 | 0 | 0 | 113 | R69 | E64-R69 IonicContact OE1-NH2 2.7Š|
| 65 | K | 81 | Confident | 76.1 | Confident | 172 Ų | 172 | 87.5 Ų | 87.5 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.1 | -178.1 | -63.5 | -178.5 | -177.2 | 175.8 | 0 | 114.4 | D63 L70 | D63-K65 PolarHBondContact O-N 2.87Å; K65-L70 WeakPolarHBondContact O-CD1 3.14Å |
| 66 | D | 79.3 | Confident | 75.5 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 32% | 0.321 | 44% | 0.439 | S | S | . | . | trans | -66.6 | 136.3 | 178.9 | -83.6 | -38 | 0 | 0 | 0 | 111.3 | L62 D63 R68 R69 L70 | L62-D66 HydrophobicContact CB-CB 4.32Å; D63-D66 PolarHBondContact N-OD2 2.85Å; D63-D66 WeakPolarHBondContact O-CB 3.34Å; D63-D66 PolarHBondContact O-N 2.87Å; D66-R68 PolarHBondContact O-N 2.87Å; D66-R69 HydrophobicContact CB-CB 4.34Å; D66-R69 WeakPolarHBondContact O-CA 3.27Å; D66-R69 WeakPolarHBondContact O-CB 3.39Å; D66-R69 PolarHBondContact O-N 2.99Å; D66-L70 PolarHBondContact O-N 3.39Å | ||
| 67 | P | 79 | Confident | 75.2 | Confident | 79 Ų | 79 | 92 Ų | 92 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.8 | -29.3 | -179 | 23.7 | -33.5 | 0 | 0 | 0 | 112.5 | R69 L70 F71 E72 | P67-R69 VanDerWaalsContact C-N 3.3Å; P67-R69 PolarHBondContact O-N 3.34Å; P67-L70 PolarHBondContact O-N 3.31Å; P67-F71 PolarHBondContact O-N 3.37Å; P67-E72 PolarHBondContact O-N 2.94Å; P67-E72 VanDerWaalsContact O-N 3.14Å |
| 68 | R | 74.7 | Confident | 74.9 | Confident | 177 Ų | 177 | 85.7 Ų | 85.7 | 67% | 0.668 | 44% | 0.437 | S | S | * | . | I | π-helix | trans | -65.3 | -33.2 | 172.7 | -74.5 | -174.1 | 174.7 | -176.2 | 0.9 | 112.7 | L62 D66 | L62-R68 HydrophobicContact CD1-CB 3.92Å; D66-R68 PolarHBondContact O-N 2.87Å |
| 69 | R | 74.5 | Confident | 74.8 | Confident | 50 Ų | 50 | 81.9 Ų | 81.9 | 19% | 0.189 | 42% | 0.419 | C | S | . | . | I | π-helix | trans | -78.9 | -39.4 | 176 | -169.8 | 170.5 | 169.8 | 144.4 | -4.6 | 111.4 | L59 L62 D63 E64 D66 P67 | L59-R69 PolarHBondContact O-NH1 2.93Å; L62-R69 PolarHBondContact O-NH1 3.49Å; D63-R69 WeakPolarHBondContact O-CD 3.39Å; E64-R69 IonicContact OE1-NH2 2.7Å; D66-R69 HydrophobicContact CB-CB 4.34Å; D66-R69 WeakPolarHBondContact O-CA 3.27Å; D66-R69 WeakPolarHBondContact O-CB 3.39Å; D66-R69 PolarHBondContact O-N 2.99Å; P67-R69 VanDerWaalsContact C-N 3.3Å; P67-R69 PolarHBondContact O-N 3.34Å |
| 70 | L | 69.9 | Low | 74.9 | Confident | 84 Ų | 84 | 89.2 Ų | 89.2 | 44% | 0.44 | 45% | 0.446 | S | S | . | . | I | π-helix | trans | -81.5 | -53.4 | -176.3 | -84.6 | 150.6 | 0 | 0 | 0 | 115.1 | K65 D66 P67 N76 | K65-L70 WeakPolarHBondContact O-CD1 3.14Å; D66-L70 PolarHBondContact O-N 3.39Å; P67-L70 PolarHBondContact O-N 3.31Å; L70-N76 PolarHBondContact O-ND2 2.91Å |
| 71 | F | 58.2 | Low | 75 | Confident | 191 Ų | 191 | 94.4 Ų | 94.4 | 84% | 0.838 | 46% | 0.462 | S | S | * | . | I | π-helix | trans | -122.1 | -32.9 | -157.2 | -116.5 | -93 | 0 | 0 | 0 | 115 | P67 | P67-F71 PolarHBondContact O-N 3.37Å |
| 72 | E | 50.7 | Low | 75.2 | Confident | 161 Ų | 161 | 88.9 Ų | 88.9 | 75% | 0.752 | 43% | 0.428 | S | S | * | . | I | π-helix | trans | -107.1 | -9.3 | -159 | -99.7 | -171.5 | 175.4 | 0 | 0 | 119.8 | P67 | P67-E72 PolarHBondContact O-N 2.94Å; P67-E72 VanDerWaalsContact O-N 3.14Å |
| 73 | G | 50.5 | Low | 75.4 | Confident | 48 Ų | 48 | 87.2 Ų | 87.2 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -154.7 | -57.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 74 | E | 54.3 | Low | 75.8 | Confident | 75 Ų | 75 | 86 Ų | 86 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -144.9 | -11.2 | -156.9 | -58.9 | -175.7 | 159.2 | 0 | 0 | 115.1 | T55 L59 L78 | T55-E74 WeakPolarHBondContact CB-OE2 3.37Å; T55-E74 WeakPolarHBondContact CG2-OE1 3.44Å; T55-E74 VanDerWaalsContact CG2-OE2 3.24Å; T55-E74 WeakPolarHBondContact CG2-OE2 3.36Å; L59-E74 HydrophobicContact CD1-CB 3.62Å; L59-E74 VanDerWaalsContact CD1-O 3.29Å; L59-E74 WeakPolarHBondContact CD1-O 3.34Å; L59-E74 HydrophobicContact CD2-CB 4.04Å; L59-E74 HydrophobicContact CG-CB 4.11Å; E74-L78 WeakPolarHBondContact O-CB 3.43Å |
| 75 | G | 59.7 | Low | 76.4 | Confident | 4 Ų | 4 | 80.6 Ų | 80.6 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -80.1 | -83.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A77 L78 L79 | G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 2.93Å; G75-L78 PolarHBondContact O-N 3.09Å; G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.88Å |
| 76 | N | 76.1 | Confident | 76.7 | Confident | 69 Ų | 69 | 73.5 Ų | 73.5 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | -179 | -76.5 | -31.6 | 0 | 0 | 0 | 113.2 | L70 R80 | L70-N76 PolarHBondContact O-ND2 2.91Å; N76-R80 WeakPolarHBondContact O-CB 3.21Å; N76-R80 WeakPolarHBondContact O-CG 3.44Å; N76-R80 PolarHBondContact O-N 2.97Å |
| 77 | A | 83.3 | Confident | 77.3 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 44% | 0.438 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G75 R81 | G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 2.93Å; A77-R81 VanDerWaalsContact O-CB 3.27Å; A77-R81 WeakPolarHBondContact O-CB 3.45Å; A77-R81 PolarHBondContact O-N 3.35Å |
| 78 | L | 85.4 | Confident | 77.7 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.4 | -45.4 | 175.5 | -179.2 | 67.7 | 0 | 0 | 0 | 110.8 | I52 E74 G75 R81 L82 V98 | I52-L78 HydrophobicContact CG1-CD1 4.12Å; I52-L78 HydrophobicContact CG2-CD1 4.09Å; I52-L78 HydrophobicContact CG2-CD2 4.2Å; I52-L78 HydrophobicContact CG2-CG 4.5Å; E74-L78 WeakPolarHBondContact O-CB 3.43Å; G75-L78 PolarHBondContact O-N 3.09Å; L78-R81 WeakPolarHBondContact O-CB 3.41Å; L78-R81 PolarHBondContact O-N 3.39Å; L78-R81 VanDerWaalsContact O-N 3.17Å; L78-L82 HydrophobicContact CD1-CD1 4.36Å; L78-L82 HydrophobicContact CD1-CG 4.44Å; L78-L82 HydrophobicContact CG-CD1 4Å; L78-L82 HydrophobicContact CG-CG 4.45Å; L78-L82 WeakPolarHBondContact O-CB 3.19Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 3.47Å; L78-V98 HydrophobicContact CD2-CG1 4.45Å |
| 79 | L | 86.5 | Confident | 78.3 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 177 | -71.1 | 173.1 | 0 | 0 | 0 | 110.7 | G75 R81 L82 V83 L88 M93 L95 V98 | G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.88Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; L79-L82 PolarHBondContact O-N 2.91Å; L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.31Å; L79-L88 HydrophobicContact CD2-CD2 3.82Å; L79-M93 HydrophobicContact CB-CE 3.89Å; L79-M93 HydrophobicContact CB-CG 4Å; L79-M93 HydrophobicContact CD1-CG 4.25Å; L79-L95 HydrophobicContact CD1-CD2 4.41Å; L79-L95 HydrophobicContact CD2-CD2 4.49Å; L79-L95 HydrophobicContact CG-CD2 4.33Å; L79-V98 HydrophobicContact CD2-CG2 3.75Å |
| 80 | R | 87.5 | Confident | 78.8 | Confident | 161 Ų | 161 | 67.9 Ų | 67.9 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.7 | -42.2 | 174.5 | -72.1 | 178.7 | -152.7 | -153 | 7.9 | 112 | N76 V83 L84 M93 | N76-R80 WeakPolarHBondContact O-CB 3.21Å; N76-R80 WeakPolarHBondContact O-CG 3.44Å; N76-R80 PolarHBondContact O-N 2.97Å; R80-V83 PolarHBondContact O-N 2.88Å; R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.24Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.22Å; R80-M93 HydrophobicContact CG-CE 3.73Å |
| 81 | R | 88.1 | Confident | 79.6 | Confident | 161 Ų | 161 | 71.1 Ų | 71.1 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 177.7 | -173 | -177.5 | -63 | 170.6 | 2.2 | 112 | A77 L78 L79 I85 | A77-R81 VanDerWaalsContact O-CB 3.27Å; A77-R81 WeakPolarHBondContact O-CB 3.45Å; A77-R81 PolarHBondContact O-N 3.35Å; L78-R81 WeakPolarHBondContact O-CB 3.41Å; L78-R81 PolarHBondContact O-N 3.39Å; L78-R81 VanDerWaalsContact O-N 3.17Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; R81-I85 HydrophobicContact CG-CD1 4.06Å; R81-I85 WeakPolarHBondContact O-CB 3.45Å; R81-I85 WeakPolarHBondContact O-CD1 3.47Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.46Å |
| 82 | L | 90.8 | Very high | 80.7 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.9 | -72.3 | 172.6 | 0 | 0 | 0 | 112 | I52 L78 L79 I85 G86 V87 L88 V98 L101 F106 | I52-L82 HydrophobicContact CD1-CD2 4.29Å; I52-L82 HydrophobicContact CG2-CD1 4.27Å; L78-L82 HydrophobicContact CD1-CD1 4.36Å; L78-L82 HydrophobicContact CD1-CG 4.44Å; L78-L82 HydrophobicContact CG-CD1 4Å; L78-L82 HydrophobicContact CG-CG 4.45Å; L78-L82 WeakPolarHBondContact O-CB 3.19Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 3.47Å; L79-L82 PolarHBondContact O-N 2.91Å; L82-I85 PolarHBondContact O-N 3.01Å; L82-G86 PolarHBondContact O-N 2.68Å; L82-V87 HydrophobicContact CD2-CB 4.3Å; L82-V87 HydrophobicContact CD2-CG1 4.19Å; L82-V87 PolarHBondContact O-N 3.03Å; L82-L88 HydrophobicContact CB-CB 4.2Å; L82-V98 HydrophobicContact CD1-CG1 3.96Å; L82-V98 HydrophobicContact CD1-CG2 3.84Å; L82-L101 HydrophobicContact CD1-CD1 4.12Å; L82-L101 HydrophobicContact CD2-CD1 4.32Å; L82-F106 HydrophobicContact CD2-CE1 4.41Å; L82-F106 HydrophobicContact CD2-CZ 3.87Å |
| 83 | V | 91.2 | Very high | 82.2 | Confident | 20 Ų | 20 | 65 Ų | 65 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | L79 R80 I85 G86 L88 E90 L152 | L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.31Å; R80-V83 PolarHBondContact O-N 2.88Å; V83-I85 PolarHBondContact O-N 2.93Å; V83-G86 WeakPolarHBondContact O-CA 3.42Å; V83-G86 PolarHBondContact O-N 2.82Å; V83-L88 HydrophobicContact CG2-CB 4.45Å; V83-E90 HydrophobicContact CG1-CG 4.1Å; V83-L152 WeakPolarHBondContact O-CD1 3.45Å |
| 84 | L | 91 | Very high | 83.8 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.6 | -35.4 | 177.7 | -76 | 171.9 | 0 | 0 | 0 | 113.3 | R80 G86 R151 L152 | R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.24Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.22Å; L84-G86 VanDerWaalsContact C-N 3.31Å; L84-R151 CarbonylContact O-C 3.57Å; L84-R151 WeakPolarHBondContact O-CA 3.47Å; L84-R151 WeakPolarHBondContact O-CB 3.34Å; L84-L152 PolarHBondContact O-N 2.81Å |
| 85 | I | 91.9 | Very high | 85.2 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.6 | -30.6 | 174.4 | -71.4 | 167.9 | 0 | 0 | 0 | 110.9 | R81 L82 V83 V87 R109 I149 V150 | R81-I85 HydrophobicContact CG-CD1 4.06Å; R81-I85 WeakPolarHBondContact O-CB 3.45Å; R81-I85 WeakPolarHBondContact O-CD1 3.47Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.46Å; L82-I85 PolarHBondContact O-N 3.01Å; V83-I85 PolarHBondContact O-N 2.93Å; I85-V87 HydrophobicContact CG2-CG2 3.75Å; I85-R109 HydrophobicContact CG2-CB 4.2Å; I85-R109 HydrophobicContact CG2-CG 4.2Å; I85-R109 VanDerWaalsContact O-CZ 3.3Å; I85-R109 PolarHBondContact O-NE 2.98Å; I85-R109 PolarHBondContact O-NH2 3.36Å; I85-I149 HydrophobicContact CB-CG2 4.39Å; I85-I149 HydrophobicContact CG1-CG2 4.19Å; I85-I149 HydrophobicContact CG2-CG2 3.43Å; I85-I149 VanDerWaalsContact CG2-CG2 3.43Å; I85-V150 VanDerWaalsContact O-O 3.12Å |
| 86 | G | 89.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 22.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L82 V83 L84 R109 | L82-G86 PolarHBondContact O-N 2.68Å; V83-G86 WeakPolarHBondContact O-CA 3.42Å; V83-G86 PolarHBondContact O-N 2.82Å; L84-G86 VanDerWaalsContact C-N 3.31Å; G86-R109 WeakPolarHBondContact O-CD 3.49Å |
| 87 | V | 90.4 | Very high | 87.2 | Confident | 17 Ų | 17 | 72 Ų | 72 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -82.1 | -29.1 | 173.5 | 164.7 | 0 | 0 | 0 | 0 | 111.1 | L82 I85 L101 D105 F106 R109 | L82-V87 HydrophobicContact CD2-CB 4.3Å; L82-V87 HydrophobicContact CD2-CG1 4.19Å; L82-V87 PolarHBondContact O-N 3.03Å; I85-V87 HydrophobicContact CG2-CG2 3.75Å; V87-L101 HydrophobicContact CG1-CD1 3.75Å; V87-L101 HydrophobicContact CG1-CD2 3.51Å; V87-L101 HydrophobicContact CG1-CG 4.21Å; V87-D105 HydrophobicContact CG1-CB 3.97Å; V87-F106 HydrophobicContact CG1-CD2 4.43Å; V87-F106 HydrophobicContact CG1-CE2 3.97Å; V87-F106 HydrophobicContact CG1-CZ 4.18Å; V87-F106 HydrophobicContact CG2-CD1 4.08Å; V87-F106 HydrophobicContact CG2-CD2 4.36Å; V87-F106 HydrophobicContact CG2-CE1 4.11Å; V87-F106 HydrophobicContact CG2-CE2 4.37Å; V87-F106 HydrophobicContact CG2-CG 4.21Å; V87-F106 HydrophobicContact CG2-CZ 4.24Å; V87-R109 HydrophobicContact CG2-CG 4.14Å |
| 88 | L | 88.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -122.5 | 133.8 | -179.4 | -167.6 | 65.8 | 0 | 0 | 0 | 109.1 | L79 L82 V83 R92 | L79-L88 HydrophobicContact CD2-CD2 3.82Å; L82-L88 HydrophobicContact CB-CB 4.2Å; V83-L88 HydrophobicContact CG2-CB 4.45Å; L88-R92 HydrophobicContact CD1-CB 3.66Å; L88-R92 WeakPolarHBondContact CD1-O 3.4Å; L88-R92 VanDerWaalsContact CD2-O 3.32Å; L88-R92 WeakPolarHBondContact CD2-O 3.43Å; L88-R92 HydrophobicContact CG-CB 4.17Å |
| 89 | S | 86.3 | Confident | 87.7 | Confident | 70 Ų | 70 | 71 Ų | 71 | 49% | 0.49 | 34% | 0.336 | S | S | . | . | trans | -73.1 | 155.2 | 171.3 | -54 | 0 | 0 | 0 | 0 | 111.1 | D91 R92 | S89-D91 VanDerWaalsContact C-N 3.25Å; S89-D91 PolarHBondContact O-N 2.93Å; S89-R92 PolarHBondContact O-N 3.42Å | ||
| 90 | E | 85 | Confident | 87.9 | Confident | 151 Ų | 151 | 73.4 Ų | 73.4 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -58.4 | -37 | -179.9 | -65.3 | -179.5 | -179.4 | 0 | 0 | 112.3 | V83 R92 M93 | V83-E90 HydrophobicContact CG1-CG 4.1Å; E90-R92 PolarHBondContact O-N 3.16Å; E90-R92 VanDerWaalsContact O-N 3.16Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 2.89Å |
| 91 | D | 86.5 | Confident | 88.1 | Confident | 152 Ų | 152 | 66.1 Ų | 66.1 | 81% | 0.813 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.6 | 178.3 | -47.3 | -40.9 | 0 | 0 | 0 | 113.7 | S89 | S89-D91 VanDerWaalsContact C-N 3.25Å; S89-D91 PolarHBondContact O-N 2.93Å |
| 92 | R | 82.6 | Confident | 88.4 | Confident | 143 Ų | 143 | 65 Ų | 65 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -104.5 | 25.8 | -174.4 | -62.4 | -173.3 | -172.1 | -171.6 | 1.6 | 112.2 | L88 S89 E90 K94 Y97 | L88-R92 HydrophobicContact CD1-CB 3.66Å; L88-R92 WeakPolarHBondContact CD1-O 3.4Å; L88-R92 VanDerWaalsContact CD2-O 3.32Å; L88-R92 WeakPolarHBondContact CD2-O 3.43Å; L88-R92 HydrophobicContact CG-CB 4.17Å; S89-R92 PolarHBondContact O-N 3.42Å; E90-R92 PolarHBondContact O-N 3.16Å; E90-R92 VanDerWaalsContact O-N 3.16Å; R92-K94 PolarHBondContact O-N 3.41Å; R92-Y97 HydrophobicContact CB-CD1 4.38Å; R92-Y97 HydrophobicContact CB-CD2 3.72Å; R92-Y97 HydrophobicContact CB-CE2 4.11Å; R92-Y97 HydrophobicContact CB-CG 3.87Å; R92-Y97 HydrophobicContact CG-CD1 4.4Å; R92-Y97 HydrophobicContact CG-CD2 4.34Å; R92-Y97 HydrophobicContact CG-CE1 4.41Å; R92-Y97 HydrophobicContact CG-CE2 4.34Å; R92-Y97 HydrophobicContact CG-CG 4.37Å; R92-Y97 WeakPolarHBondContact O-CD2 3.5Å |
| 93 | M | 82.2 | Confident | 88.5 | Confident | 79 Ų | 79 | 66 Ų | 66 | 39% | 0.389 | 34% | 0.338 | S | S | . | . | trans | -73.5 | 53.8 | -177.5 | -158.6 | 173.8 | -173.2 | 0 | 0 | 113.4 | L79 R80 E90 | L79-M93 HydrophobicContact CB-CE 3.89Å; L79-M93 HydrophobicContact CB-CG 4Å; L79-M93 HydrophobicContact CD1-CG 4.25Å; R80-M93 HydrophobicContact CG-CE 3.73Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 2.89Å | ||
| 94 | K | 84.4 | Confident | 88.6 | Confident | 128 Ų | 128 | 68 Ų | 68 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -126.4 | 151.5 | 173.2 | -58.4 | -176.8 | 178.7 | -179.2 | 0 | 110.2 | R92 D96 Y97 | R92-K94 PolarHBondContact O-N 3.41Å; K94-D96 VanDerWaalsContact C-N 3.25Å; K94-D96 PolarHBondContact O-N 3.05Å; K94-Y97 HydrophobicContact CB-CD2 3.84Å; K94-Y97 HydrophobicContact CB-CE2 4.14Å; K94-Y97 HydrophobicContact CD-CE2 4.21Å; K94-Y97 HydrophobicContact CG-CD2 4.46Å; K94-Y97 HydrophobicContact CG-CE2 4.33Å; K94-Y97 PolarHBondContact O-N 3.39Å |
| 95 | L | 83.8 | Confident | 88.7 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -30 | -179 | -72.1 | 174 | 0 | 0 | 0 | 113 | L59 L60 L79 Y97 V98 | L59-L95 HydrophobicContact CB-CD1 3.79Å; L59-L95 HydrophobicContact CD1-CD1 4.35Å; L59-L95 HydrophobicContact CD1-CD2 4.05Å; L60-L95 HydrophobicContact CD1-CB 4.48Å; L60-L95 HydrophobicContact CD2-CB 3.81Å; L60-L95 HydrophobicContact CD2-CD1 4.32Å; L60-L95 HydrophobicContact CG-CB 4.08Å; L60-L95 HydrophobicContact CG-CD1 4.48Å; L79-L95 HydrophobicContact CD1-CD2 4.41Å; L79-L95 HydrophobicContact CD2-CD2 4.49Å; L79-L95 HydrophobicContact CG-CD2 4.33Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.94Å; L95-V98 VanDerWaalsContact O-CB 3.25Å; L95-V98 WeakPolarHBondContact O-CB 3.38Å; L95-V98 PolarHBondContact O-N 3.3Å |
| 96 | D | 87.4 | Confident | 88.8 | Confident | 97 Ų | 97 | 66 Ų | 66 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 180 | -53.2 | -46.8 | 0 | 0 | 0 | 111.9 | L60 K94 V98 L99 | L60-D96 WeakPolarHBondContact CD2-OD1 3.49Å; K94-D96 VanDerWaalsContact C-N 3.25Å; K94-D96 PolarHBondContact O-N 3.05Å; D96-V98 PolarHBondContact O-N 3.3Å; D96-L99 WeakPolarHBondContact O-CB 3.29Å; D96-L99 PolarHBondContact O-N 2.96Å; D96-L99 VanDerWaalsContact O-N 3.15Å |
| 97 | Y | 89.4 | Confident | 89.1 | Confident | 105 Ų | 105 | 64.9 Ų | 64.9 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -25.1 | 177.2 | -65 | -66.9 | 0 | 0 | 0 | 112.8 | R92 K94 L95 L99 G100 | R92-Y97 HydrophobicContact CB-CD1 4.38Å; R92-Y97 HydrophobicContact CB-CD2 3.72Å; R92-Y97 HydrophobicContact CB-CE2 4.11Å; R92-Y97 HydrophobicContact CB-CG 3.87Å; R92-Y97 HydrophobicContact CG-CD1 4.4Å; R92-Y97 HydrophobicContact CG-CD2 4.34Å; R92-Y97 HydrophobicContact CG-CE1 4.41Å; R92-Y97 HydrophobicContact CG-CE2 4.34Å; R92-Y97 HydrophobicContact CG-CG 4.37Å; R92-Y97 WeakPolarHBondContact O-CD2 3.5Å; K94-Y97 HydrophobicContact CB-CD2 3.84Å; K94-Y97 HydrophobicContact CB-CE2 4.14Å; K94-Y97 HydrophobicContact CD-CE2 4.21Å; K94-Y97 HydrophobicContact CG-CD2 4.46Å; K94-Y97 HydrophobicContact CG-CE2 4.33Å; K94-Y97 PolarHBondContact O-N 3.39Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.94Å; Y97-L99 PolarHBondContact O-N 3.13Å; Y97-G100 PolarHBondContact O-N 3.39Å; Y97-G100 VanDerWaalsContact O-N 3.11Å |
| 98 | V | 88.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.3 | -31.6 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 111 | I52 A56 L78 L79 L82 L95 D96 G100 L101 | I52-V98 HydrophobicContact CG2-CG1 3.49Å; I52-V98 VanDerWaalsContact CG2-CG1 3.49Å; A56-V98 HydrophobicContact CB-CB 4.17Å; A56-V98 HydrophobicContact CB-CG1 3.91Å; L78-V98 HydrophobicContact CD2-CG1 4.45Å; L79-V98 HydrophobicContact CD2-CG2 3.75Å; L82-V98 HydrophobicContact CD1-CG1 3.96Å; L82-V98 HydrophobicContact CD1-CG2 3.84Å; L95-V98 VanDerWaalsContact O-CB 3.25Å; L95-V98 WeakPolarHBondContact O-CB 3.38Å; L95-V98 PolarHBondContact O-N 3.3Å; D96-V98 PolarHBondContact O-N 3.3Å; V98-G100 VanDerWaalsContact C-N 3.27Å; V98-G100 PolarHBondContact O-N 2.87Å; V98-L101 HydrophobicContact CB-CD1 4.48Å; V98-L101 HydrophobicContact CG1-CD1 4Å; V98-L101 WeakPolarHBondContact O-CG 3.19Å; V98-L101 PolarHBondContact O-N 3.49Å |
| 99 | L | 90.2 | Very high | 89.5 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.4 | -26.5 | 175 | -60 | -178.9 | 0 | 0 | 0 | 112.5 | R53 A56 R57 L60 D96 Y97 L101 | R53-L99 PolarHBondContact NE-O 3.02Å; R53-L99 PolarHBondContact NH1-O 3.21Å; R53-L99 PolarHBondContact NH2-O 3.43Å; A56-L99 HydrophobicContact CB-CD2 4.02Å; R57-L99 HydrophobicContact CG-CD2 3.75Å; L60-L99 HydrophobicContact CD1-CD1 3.62Å; L60-L99 HydrophobicContact CD1-CG 4.21Å; D96-L99 WeakPolarHBondContact O-CB 3.29Å; D96-L99 PolarHBondContact O-N 2.96Å; D96-L99 VanDerWaalsContact O-N 3.15Å; Y97-L99 PolarHBondContact O-N 3.13Å; L99-L101 VanDerWaalsContact C-N 3.34Å |
| 100 | G | 91.2 | Very high | 89.9 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y97 V98 R102 | Y97-G100 PolarHBondContact O-N 3.39Å; Y97-G100 VanDerWaalsContact O-N 3.11Å; V98-G100 VanDerWaalsContact C-N 3.27Å; V98-G100 PolarHBondContact O-N 2.87Å; G100-R102 PolarHBondContact O-N 3.48Å |
| 101 | L | 92 | Very high | 90.4 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | trans | -64.1 | 134.9 | -177.5 | -66.7 | 177.5 | 0 | 0 | 0 | 112.3 | L49 L82 V87 V98 L99 F106 | L49-L101 HydrophobicContact CD1-CB 3.69Å; L82-L101 HydrophobicContact CD1-CD1 4.12Å; L82-L101 HydrophobicContact CD2-CD1 4.32Å; V87-L101 HydrophobicContact CG1-CD1 3.75Å; V87-L101 HydrophobicContact CG1-CD2 3.51Å; V87-L101 HydrophobicContact CG1-CG 4.21Å; V98-L101 HydrophobicContact CB-CD1 4.48Å; V98-L101 HydrophobicContact CG1-CD1 4Å; V98-L101 WeakPolarHBondContact O-CG 3.19Å; V98-L101 PolarHBondContact O-N 3.49Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L101-F106 HydrophobicContact CD1-CE2 4.3Å | ||
| 102 | R | 93.7 | Very high | 90.9 | Very high | 137 Ų | 137 | 47.7 Ų | 47.7 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | trans | -101.5 | 163.9 | 177.2 | -62.1 | -174 | -64.4 | 145.4 | 8.2 | 110.4 | G100 E104 D105 | G100-R102 PolarHBondContact O-N 3.48Å; R102-E104 IonicContact CZ-OE2 2.78Å; R102-E104 IonicContact NH1-OE1 3.02Å; R102-E104 IonicContact NH1-OE2 2.7Å; R102-E104 PolarHBondContact NH1-OE2 2.81Å; R102-E104 IonicContact NH2-OE2 3.64Å; R102-E104 PolarHBondContact NH2-OE2 2.9Å; R102-E104 VanDerWaalsContact NH2-OE2 3.1Å; R102-E104 PolarHBondContact O-N 3.44Å; R102-D105 PolarHBondContact N-OD2 2.92Å; R102-D105 PolarHBondContact O-N 3.12Å | ||
| 103 | V | 93.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -33.2 | 177.6 | 180 | 0 | 0 | 0 | 0 | 111 | L30 V45 K46 L49 D105 F106 L107 | L30-V103 HydrophobicContact CD1-CB 4.48Å; L30-V103 HydrophobicContact CD1-CG1 4.2Å; V45-V103 HydrophobicContact CB-CG1 4.27Å; V45-V103 HydrophobicContact CG1-CG1 3.81Å; K46-V103 HydrophobicContact CG-CG2 3.87Å; L49-V103 HydrophobicContact CD2-CG2 3.88Å; V103-D105 VanDerWaalsContact C-N 3.28Å; V103-D105 PolarHBondContact O-N 3.44Å; V103-F106 PolarHBondContact O-N 3.39Å; V103-L107 HydrophobicContact CG1-CD1 3.91Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.9Å; V103-L107 VanDerWaalsContact O-N 3.11Å |
| 104 | E | 94 | Very high | 92.1 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 29% | 0.29 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.3 | -40 | 176.3 | -71.5 | 160.7 | -142.3 | 0 | 0 | 112.4 | L30 Y34 R102 F106 L107 G108 | L30-E104 HydrophobicContact CD2-CG 3.91Å; Y34-E104 HydrophobicContact CE2-CG 4.34Å; R102-E104 IonicContact CZ-OE2 2.78Å; R102-E104 IonicContact NH1-OE1 3.02Å; R102-E104 IonicContact NH1-OE2 2.7Å; R102-E104 PolarHBondContact NH1-OE2 2.81Å; R102-E104 IonicContact NH2-OE2 3.64Å; R102-E104 PolarHBondContact NH2-OE2 2.9Å; R102-E104 VanDerWaalsContact NH2-OE2 3.1Å; R102-E104 PolarHBondContact O-N 3.44Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 2.92Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-L107 VanDerWaalsContact O-N 3.15Å; E104-G108 PolarHBondContact O-N 2.95Å |
| 105 | D | 93.2 | Very high | 92.6 | Very high | 47 Ų | 47 | 31.7 Ų | 31.7 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.9 | -38.2 | -177.2 | -52.1 | -36.2 | 0 | 0 | 0 | 111.2 | V87 R102 V103 R109 | V87-D105 HydrophobicContact CG1-CB 3.97Å; R102-D105 PolarHBondContact N-OD2 2.92Å; R102-D105 PolarHBondContact O-N 3.12Å; V103-D105 VanDerWaalsContact C-N 3.28Å; V103-D105 PolarHBondContact O-N 3.44Å; D105-R109 WeakPolarHBondContact O-CG 3.38Å |
| 106 | F | 93.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -76.2 | -39.1 | 175.3 | -77.4 | -89.9 | 0 | 0 | 0 | 112.8 | V45 L49 I52 L82 V87 L101 V103 E104 G108 R109 | V45-F106 HydrophobicContact CG1-CB 3.46Å; V45-F106 VanDerWaalsContact CG1-CB 3.46Å; V45-F106 HydrophobicContact CG1-CG 4.13Å; L49-F106 HydrophobicContact CD1-CD2 4.31Å; L49-F106 HydrophobicContact CD1-CE2 3.74Å; I52-F106 HydrophobicContact CD1-CE1 3.93Å; I52-F106 HydrophobicContact CD1-CZ 3.52Å; L82-F106 HydrophobicContact CD2-CE1 4.41Å; L82-F106 HydrophobicContact CD2-CZ 3.87Å; V87-F106 HydrophobicContact CG1-CD2 4.43Å; V87-F106 HydrophobicContact CG1-CE2 3.97Å; V87-F106 HydrophobicContact CG1-CZ 4.18Å; V87-F106 HydrophobicContact CG2-CD1 4.08Å; V87-F106 HydrophobicContact CG2-CD2 4.36Å; V87-F106 HydrophobicContact CG2-CE1 4.11Å; V87-F106 HydrophobicContact CG2-CE2 4.37Å; V87-F106 HydrophobicContact CG2-CG 4.21Å; V87-F106 HydrophobicContact CG2-CZ 4.24Å; L101-F106 HydrophobicContact CD1-CE2 4.3Å; V103-F106 PolarHBondContact O-N 3.39Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 2.92Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.21Å; F106-R109 PolarHBondContact O-N 3.15Å |
| 107 | L | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 178.5 | -69.7 | 177.4 | 0 | 0 | 0 | 111.3 | L30 Y34 L36 V45 V103 E104 R109 R110 T113 | L30-L107 HydrophobicContact CB-CD1 4.43Å; L30-L107 HydrophobicContact CD2-CD1 4.17Å; Y34-L107 HydrophobicContact CD1-CB 3.51Å; Y34-L107 HydrophobicContact CD2-CB 4Å; Y34-L107 HydrophobicContact CD2-CD1 3.7Å; Y34-L107 HydrophobicContact CD2-CG 4.48Å; Y34-L107 HydrophobicContact CE1-CB 3.58Å; Y34-L107 HydrophobicContact CE2-CB 4.08Å; Y34-L107 HydrophobicContact CE2-CD1 4.07Å; Y34-L107 HydrophobicContact CG-CB 3.73Å; Y34-L107 HydrophobicContact CG-CD1 4.03Å; Y34-L107 HydrophobicContact CG-CG 4.41Å; L36-L107 HydrophobicContact CD1-CD1 4.31Å; L36-L107 HydrophobicContact CD1-CD2 4.15Å; L36-L107 HydrophobicContact CD2-CD2 4.19Å; V45-L107 HydrophobicContact CG2-CD2 3.91Å; V103-L107 HydrophobicContact CG1-CD1 3.91Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.9Å; V103-L107 VanDerWaalsContact O-N 3.11Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-L107 VanDerWaalsContact O-N 3.15Å; L107-R109 PolarHBondContact O-N 3.37Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.31Å; L107-T113 PolarHBondContact O-OG1 3.45Å |
| 108 | G | 93.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -24.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E104 F106 Q114 | E104-G108 PolarHBondContact O-N 2.95Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.21Å; G108-Q114 PolarHBondContact O-NE2 3.44Å |
| 109 | R | 94.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0.5 | 179.3 | -61.1 | -55.1 | -58.4 | 176.4 | 1.8 | 114.2 | I85 G86 V87 D105 F106 L107 I149 V150 E155 | I85-R109 HydrophobicContact CG2-CB 4.2Å; I85-R109 HydrophobicContact CG2-CG 4.2Å; I85-R109 VanDerWaalsContact O-CZ 3.3Å; I85-R109 PolarHBondContact O-NE 2.98Å; I85-R109 PolarHBondContact O-NH2 3.36Å; G86-R109 WeakPolarHBondContact O-CD 3.49Å; V87-R109 HydrophobicContact CG2-CG 4.14Å; D105-R109 WeakPolarHBondContact O-CG 3.38Å; F106-R109 PolarHBondContact O-N 3.15Å; L107-R109 PolarHBondContact O-N 3.37Å; R109-I149 HydrophobicContact CB-CG2 4.25Å; R109-V150 PolarHBondContact NE-O 2.82Å; R109-V150 PolarHBondContact NH2-O 3.05Å; R109-V150 PolarHBondContact O-N 2.85Å; R109-E155 IonicContact CZ-OE2 3.76Å; R109-E155 IonicContact NH1-OE1 3.95Å; R109-E155 PolarHBondContact NH1-OE1 2.94Å; R109-E155 IonicContact NH1-OE2 3.1Å; R109-E155 PolarHBondContact NH1-OE2 2.9Å; R109-E155 IonicContact NH2-OE2 3.77Å; R109-E155 PolarHBondContact NH2-OE2 3.2Å |
| 110 | R | 95.1 | Very high | 94 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -68.6 | 143.6 | 174.6 | -69.9 | 178.8 | 59.7 | 146.3 | -4.4 | 110.9 | E41 L107 Q112 T113 Q114 F148 | E41-R110 IonicContact OE2-CZ 3.1Å; E41-R110 IonicContact OE2-NH1 3.55Å; E41-R110 PolarHBondContact OE2-NH1 2.96Å; E41-R110 IonicContact OE2-NH2 2.77Å; E41-R110 PolarHBondContact OE2-NH2 3.49Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.31Å; R110-Q112 PolarHBondContact O-N 3.36Å; R110-Q112 VanDerWaalsContact O-N 3.17Å; R110-T113 PolarHBondContact O-N 2.97Å; R110-Q114 WeakPolarHBondContact O-CG 3.26Å; R110-Q114 PolarHBondContact O-N 3.47Å; R110-F148 CarbonylContact C-O 3.5Å |
| 111 | L | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.6 | -40.3 | 178.4 | -177.5 | 62.8 | 0 | 0 | 0 | 111.7 | T113 Q114 V115 I131 I136 V138 V143 F148 V150 I158 | L111-T113 PolarHBondContact O-N 2.88Å; L111-Q114 PolarHBondContact O-N 3.04Å; L111-V115 HydrophobicContact CD1-CG2 4Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.44Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.43Å; L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.05Å; L111-I131 HydrophobicContact CD2-CG1 4.31Å; L111-I131 HydrophobicContact CD2-CG2 4.31Å; L111-I131 HydrophobicContact CG-CD1 3.81Å; L111-I131 HydrophobicContact CG-CG1 4.45Å; L111-I136 HydrophobicContact CD1-CG2 4.4Å; L111-V138 HydrophobicContact CD1-CG2 3.62Å; L111-V138 HydrophobicContact CD2-CG2 4.19Å; L111-V143 HydrophobicContact CD2-CB 3.81Å; L111-V143 HydrophobicContact CD2-CG1 3.58Å; L111-F148 HydrophobicContact CB-CB 4.13Å; L111-F148 HydrophobicContact CB-CD1 4.29Å; L111-F148 WeakPolarHBondContact CB-O 3.37Å; L111-F148 HydrophobicContact CD2-CB 4.33Å; L111-F148 HydrophobicContact CD2-CD1 4.34Å; L111-F148 PolarHBondContact N-O 2.86Å; L111-V150 HydrophobicContact CB-CG2 3.93Å; L111-V150 HydrophobicContact CD1-CG2 3.7Å; L111-V150 HydrophobicContact CG-CG2 4.44Å; L111-I158 HydrophobicContact CD1-CD1 4.12Å; L111-I158 HydrophobicContact CD1-CG1 4.3Å; L111-I158 HydrophobicContact CD1-CG2 4.29Å |
| 112 | Q | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.7 | -48.4 | 175.3 | -176 | 178.5 | -14.2 | 0 | 0 | 112.9 | Y34 G35 R110 F116 I124 A127 R128 I131 P146 | Y34-Q112 PolarHBondContact O-NE2 3.05Å; G35-Q112 PolarHBondContact O-NE2 3.42Å; R110-Q112 PolarHBondContact O-N 3.36Å; R110-Q112 VanDerWaalsContact O-N 3.17Å; Q112-F116 PolarHBondContact O-N 3.26Å; Q112-I124 HydrophobicContact CG-CG2 4.07Å; Q112-I124 PolarHBondContact NE2-O 2.94Å; Q112-A127 HydrophobicContact CG-CB 4.31Å; Q112-A127 WeakPolarHBondContact O-CB 3.3Å; Q112-R128 HydrophobicContact CG-CB 4.26Å; Q112-I131 HydrophobicContact CB-CD1 4.17Å; Q112-P146 HydrophobicContact CB-CB 4.19Å |
| 113 | T | 95.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.8 | -37.1 | -178.9 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | Y34 L107 R110 L111 F116 K117 | Y34-T113 HydrophobicContact CD1-CG2 4.02Å; Y34-T113 HydrophobicContact CE1-CG2 4.08Å; L107-T113 PolarHBondContact O-OG1 3.45Å; R110-T113 PolarHBondContact O-N 2.97Å; L111-T113 PolarHBondContact O-N 2.88Å; T113-F116 PolarHBondContact O-N 2.98Å; T113-K117 HydrophobicContact CG2-CD 4.45Å; T113-K117 WeakPolarHBondContact O-CB 3.45Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.7Å |
| 114 | Q | 94.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.6 | -69 | -65.8 | -20.7 | 0 | 0 | 112.3 | G108 R110 L111 F116 K117 K118 V150 E155 I158 | G108-Q114 PolarHBondContact O-NE2 3.44Å; R110-Q114 WeakPolarHBondContact O-CG 3.26Å; R110-Q114 PolarHBondContact O-N 3.47Å; L111-Q114 PolarHBondContact O-N 3.04Å; Q114-F116 VanDerWaalsContact C-N 3.33Å; Q114-F116 PolarHBondContact O-N 3.32Å; Q114-K117 PolarHBondContact O-N 3.41Å; Q114-K118 WeakPolarHBondContact O-CB 3.34Å; Q114-K118 WeakPolarHBondContact O-CG 3.46Å; Q114-K118 PolarHBondContact O-N 2.91Å; Q114-V150 HydrophobicContact CB-CG2 4.35Å; Q114-V150 HydrophobicContact CG-CB 4.22Å; Q114-V150 HydrophobicContact CG-CG2 4.19Å; Q114-E155 PolarHBondContact OE1-OE1 3.07Å; Q114-I158 HydrophobicContact CB-CD1 3.84Å |
| 115 | V | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 174.4 | 167 | 0 | 0 | 0 | 0 | 111.3 | L111 L120 A121 A127 I131 I136 I158 | L111-V115 HydrophobicContact CD1-CG2 4Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.44Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.43Å; V115-L120 HydrophobicContact CG1-CB 3.91Å; V115-L120 HydrophobicContact CG1-CD1 4.41Å; V115-L120 PolarHBondContact O-N 3.34Å; V115-A121 HydrophobicContact CG1-CB 4.21Å; V115-A127 HydrophobicContact CB-CB 4.19Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; V115-I131 HydrophobicContact CG2-CD1 4.36Å; V115-I136 HydrophobicContact CB-CD1 4.3Å; V115-I136 HydrophobicContact CG1-CD1 3.52Å; V115-I136 HydrophobicContact CG1-CG1 4.47Å; V115-I136 HydrophobicContact CG2-CD1 3.81Å; V115-I136 HydrophobicContact CG2-CG1 4.4Å; V115-I136 HydrophobicContact CG2-CG2 3.94Å; V115-I158 HydrophobicContact CG2-CG2 3.88Å |
| 116 | F | 95.2 | Very high | 94.5 | Very high | 80 Ų | 80 | 46 Ų | 46 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.4 | -45.2 | 175.3 | 179.2 | -111.2 | 0 | 0 | 0 | 112 | Q112 T113 Q114 K118 A119 I124 A127 | Q112-F116 PolarHBondContact O-N 3.26Å; T113-F116 PolarHBondContact O-N 2.98Å; Q114-F116 VanDerWaalsContact C-N 3.33Å; Q114-F116 PolarHBondContact O-N 3.32Å; F116-K118 PolarHBondContact O-N 3.47Å; F116-A119 PolarHBondContact O-N 2.7Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 4.1Å; F116-I124 HydrophobicContact CD1-CG1 3.41Å; F116-I124 VanDerWaalsContact CD1-CG1 3.41Å; F116-I124 HydrophobicContact CD2-CG1 3.98Å; F116-I124 HydrophobicContact CE1-CD1 4.05Å; F116-I124 HydrophobicContact CE1-CG1 3.76Å; F116-I124 HydrophobicContact CE2-CG1 4.29Å; F116-I124 HydrophobicContact CG-CG1 3.53Å; F116-I124 HydrophobicContact CZ-CG1 4.19Å; F116-A127 HydrophobicContact CB-CB 4.48Å |
| 117 | K | 94.4 | Very high | 94.6 | Very high | 141 Ų | 141 | 45.5 Ų | 45.5 | 61% | 0.613 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.7 | -33.3 | 175.8 | -76 | -177.5 | 175.7 | -173.2 | 0 | 112.9 | T113 Q114 A119 | T113-K117 HydrophobicContact CG2-CD 4.45Å; T113-K117 WeakPolarHBondContact O-CB 3.45Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.7Å; Q114-K117 PolarHBondContact O-N 3.41Å; K117-A119 PolarHBondContact O-N 3.04Å |
| 118 | K | 93.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 6.9 | 174.4 | -76.9 | -172.6 | 146.9 | -157.6 | 0 | 114.8 | Q114 F116 L120 E155 K156 I158 | Q114-K118 WeakPolarHBondContact O-CB 3.34Å; Q114-K118 WeakPolarHBondContact O-CG 3.46Å; Q114-K118 PolarHBondContact O-N 2.91Å; F116-K118 PolarHBondContact O-N 3.47Å; K118-L120 HydrophobicContact CB-CD1 4.49Å; K118-L120 HydrophobicContact CB-CG 4.28Å; K118-L120 PolarHBondContact O-N 3.03Å; K118-E155 WeakPolarHBondContact CE-O 3.3Å; K118-E155 PolarHBondContact NZ-O 2.96Å; K118-K156 PolarHBondContact NZ-O 3.3Å; K118-I158 HydrophobicContact CD-CB 3.99Å; K118-I158 HydrophobicContact CD-CD1 4.32Å; K118-I158 HydrophobicContact CD-CG2 4.44Å; K118-I158 PolarHBondContact NZ-O 3.13Å |
| 119 | A | 92.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 70% | 0.702 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 20 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F116 K117 A121 | F116-A119 PolarHBondContact O-N 2.7Å; K117-A119 PolarHBondContact O-N 3.04Å; A119-A121 PolarHBondContact O-N 2.82Å |
| 120 | L | 92.2 | Very high | 94.7 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -70.8 | -22.5 | 173.6 | -65.6 | 174.1 | 0 | 0 | 0 | 111.6 | V115 K118 M130 I158 F160 | V115-L120 HydrophobicContact CG1-CB 3.91Å; V115-L120 HydrophobicContact CG1-CD1 4.41Å; V115-L120 PolarHBondContact O-N 3.34Å; K118-L120 HydrophobicContact CB-CD1 4.49Å; K118-L120 HydrophobicContact CB-CG 4.28Å; K118-L120 PolarHBondContact O-N 3.03Å; L120-M130 WeakPolarHBondContact O-CE 3.35Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; L120-F160 HydrophobicContact CB-CZ 4.44Å; L120-F160 HydrophobicContact CD2-CD2 4.18Å; L120-F160 HydrophobicContact CD2-CE2 3.81Å; L120-F160 HydrophobicContact CD2-CZ 4.32Å |
| 121 | A | 93.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -124.5 | 141.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V115 A119 S123 H126 A127 M130 | V115-A121 HydrophobicContact CG1-CB 4.21Å; A119-A121 PolarHBondContact O-N 2.82Å; A121-S123 VanDerWaalsContact C-N 3.29Å; A121-S123 PolarHBondContact O-N 3.14Å; A121-H126 HydrophobicContact CB-CB 4.41Å; A121-A127 HydrophobicContact CB-CB 3.61Å; A121-M130 HydrophobicContact CB-CE 3.12Å |
| 122 | R | 93.6 | Very high | 94.7 | Very high | 238 Ų | 238 | 53.4 Ų | 53.4 | 90% | 0.898 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -65.1 | -27.2 | 172.7 | -63.2 | -175 | 178.4 | -175.2 | -2.1 | 114.6 | H126 | R122-H126 PolarHBondContact N-ND1 3.42Š|
| 123 | S | 95.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -149.2 | 157.4 | -176.5 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | A121 H125 H126 A127 | A121-S123 VanDerWaalsContact C-N 3.29Å; A121-S123 PolarHBondContact O-N 3.14Å; S123-H125 PolarHBondContact O-N 2.93Å; S123-H125 PolarHBondContact OG-N 3.38Å; S123-H126 CarbonylContact O-C 3.57Å; S123-H126 WeakPolarHBondContact O-CA 3.49Å; S123-H126 WeakPolarHBondContact O-CB 3.3Å; S123-H126 PolarHBondContact O-N 3.44Å; S123-A127 PolarHBondContact O-N 3.25Å |
| 124 | I | 94.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -33.1 | 175.8 | -59.9 | 150.3 | 0 | 0 | 0 | 111.5 | E33 Y34 Q112 F116 A127 R128 | E33-I124 WeakPolarHBondContact O-CD1 3.32Å; Y34-I124 VanDerWaalsContact O-CG2 3.27Å; Y34-I124 WeakPolarHBondContact O-CG2 3.24Å; Q112-I124 HydrophobicContact CG-CG2 4.07Å; Q112-I124 PolarHBondContact NE2-O 2.94Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 4.1Å; F116-I124 HydrophobicContact CD1-CG1 3.41Å; F116-I124 VanDerWaalsContact CD1-CG1 3.41Å; F116-I124 HydrophobicContact CD2-CG1 3.98Å; F116-I124 HydrophobicContact CE1-CD1 4.05Å; F116-I124 HydrophobicContact CE1-CG1 3.76Å; F116-I124 HydrophobicContact CE2-CG1 4.29Å; F116-I124 HydrophobicContact CG-CG1 3.53Å; F116-I124 HydrophobicContact CZ-CG1 4.19Å; I124-A127 WeakPolarHBondContact O-CB 3.49Å; I124-A127 PolarHBondContact O-N 3.18Å; I124-R128 PolarHBondContact O-N 3.44Å |
| 125 | H | 95.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 66.5 Ų | 66.5 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.9 | -38.9 | 173.7 | -62.7 | 93.1 | 0 | 0 | 0 | 111.2 | S123 A127 R128 V129 | S123-H125 PolarHBondContact O-N 2.93Å; S123-H125 PolarHBondContact OG-N 3.38Å; H125-A127 VanDerWaalsContact C-N 3.35Å; H125-R128 WeakPolarHBondContact O-CB 3.33Å; H125-R128 PolarHBondContact O-N 3.07Å; H125-V129 WeakPolarHBondContact O-CG2 3.35Å; H125-V129 PolarHBondContact O-N 3.29Å; H125-V129 VanDerWaalsContact O-N 3.14Å |
| 126 | H | 95.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 173.7 | -177.6 | -162.5 | 0 | 0 | 0 | 111.1 | A121 R122 S123 R128 V129 M130 | A121-H126 HydrophobicContact CB-CB 4.41Å; R122-H126 PolarHBondContact N-ND1 3.42Å; S123-H126 CarbonylContact O-C 3.57Å; S123-H126 WeakPolarHBondContact O-CA 3.49Å; S123-H126 WeakPolarHBondContact O-CB 3.3Å; S123-H126 PolarHBondContact O-N 3.44Å; H126-R128 VanDerWaalsContact C-N 3.29Å; H126-R128 PolarHBondContact O-N 2.93Å; H126-V129 PolarHBondContact O-N 3.49Å; H126-M130 PolarHBondContact O-N 2.91Å |
| 127 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q112 V115 F116 A121 S123 I124 H125 V129 M130 I131 | Q112-A127 HydrophobicContact CG-CB 4.31Å; Q112-A127 WeakPolarHBondContact O-CB 3.3Å; V115-A127 HydrophobicContact CB-CB 4.19Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; F116-A127 HydrophobicContact CB-CB 4.48Å; A121-A127 HydrophobicContact CB-CB 3.61Å; S123-A127 PolarHBondContact O-N 3.25Å; I124-A127 WeakPolarHBondContact O-CB 3.49Å; I124-A127 PolarHBondContact O-N 3.18Å; H125-A127 VanDerWaalsContact C-N 3.35Å; A127-V129 PolarHBondContact O-N 2.93Å; A127-M130 PolarHBondContact O-N 3.2Å; A127-I131 VanDerWaalsContact O-CG1 3.28Å; A127-I131 WeakPolarHBondContact O-CG1 3.23Å; A127-I131 PolarHBondContact O-N 2.8Å; A127-I131 VanDerWaalsContact O-N 3.08Å |
| 128 | R | 95.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 15% | 0.151 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.3 | -164.2 | 179.6 | 179.4 | 96.6 | -5 | 112.4 | E41 Q112 I124 H125 H126 I131 L132 P146 | E41-R128 IonicContact OE1-CZ 3.5Å; E41-R128 IonicContact OE1-NH1 3.99Å; E41-R128 PolarHBondContact OE1-NH1 2.83Å; E41-R128 IonicContact OE1-NH2 3.34Å; E41-R128 PolarHBondContact OE1-NH2 3.28Å; E41-R128 IonicContact OE2-NH1 3.65Å; Q112-R128 HydrophobicContact CG-CB 4.26Å; I124-R128 PolarHBondContact O-N 3.44Å; H125-R128 WeakPolarHBondContact O-CB 3.33Å; H125-R128 PolarHBondContact O-N 3.07Å; H126-R128 VanDerWaalsContact C-N 3.29Å; H126-R128 PolarHBondContact O-N 2.93Å; R128-I131 PolarHBondContact O-N 2.97Å; R128-L132 HydrophobicContact CG-CD1 4.28Å; R128-L132 WeakPolarHBondContact O-CG 3.16Å; R128-L132 PolarHBondContact O-N 3.27Å; R128-L132 VanDerWaalsContact O-N 3.08Å; R128-P146 HydrophobicContact CG-CB 4.04Å; R128-P146 HydrophobicContact CG-CG 3.74Å |
| 129 | V | 95 | Very high | 94.2 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | -179.8 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | H125 H126 A127 I131 L132 Q133 | H125-V129 WeakPolarHBondContact O-CG2 3.35Å; H125-V129 PolarHBondContact O-N 3.29Å; H125-V129 VanDerWaalsContact O-N 3.14Å; H126-V129 PolarHBondContact O-N 3.49Å; A127-V129 PolarHBondContact O-N 2.93Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.37Å; V129-L132 PolarHBondContact O-N 2.97Å; V129-Q133 HydrophobicContact CG1-CG 4.17Å; V129-Q133 WeakPolarHBondContact O-CB 3.33Å; V129-Q133 WeakPolarHBondContact O-CG 3.19Å; V129-Q133 PolarHBondContact O-N 2.88Å |
| 130 | M | 94.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.1 | -74.1 | -166.1 | -73.6 | 0 | 0 | 113.3 | L120 A121 H126 A127 R134 H135 I136 F160 | L120-M130 WeakPolarHBondContact O-CE 3.35Å; A121-M130 HydrophobicContact CB-CE 3.12Å; H126-M130 PolarHBondContact O-N 2.91Å; A127-M130 PolarHBondContact O-N 3.2Å; M130-R134 PolarHBondContact O-N 3.17Å; M130-H135 HydrophobicContact CB-CB 4.29Å; M130-H135 WeakPolarHBondContact O-CB 3.24Å; M130-H135 PolarHBondContact O-N 3.11Å; M130-I136 HydrophobicContact CB-CD1 3.71Å; M130-F160 HydrophobicContact SD-CE1 3.94Å |
| 131 | I | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 175 | -66.7 | 168.5 | 0 | 0 | 0 | 109.7 | L111 Q112 V115 A127 R128 V129 Q133 R134 I136 V143 N144 P146 | L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.05Å; L111-I131 HydrophobicContact CD2-CG1 4.31Å; L111-I131 HydrophobicContact CD2-CG2 4.31Å; L111-I131 HydrophobicContact CG-CD1 3.81Å; L111-I131 HydrophobicContact CG-CG1 4.45Å; Q112-I131 HydrophobicContact CB-CD1 4.17Å; V115-I131 HydrophobicContact CG2-CD1 4.36Å; A127-I131 VanDerWaalsContact O-CG1 3.28Å; A127-I131 WeakPolarHBondContact O-CG1 3.23Å; A127-I131 PolarHBondContact O-N 2.8Å; A127-I131 VanDerWaalsContact O-N 3.08Å; R128-I131 PolarHBondContact O-N 2.97Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.37Å; I131-Q133 VanDerWaalsContact C-N 3.32Å; I131-Q133 PolarHBondContact O-N 2.8Å; I131-R134 PolarHBondContact O-N 3.35Å; I131-R134 VanDerWaalsContact O-N 3.08Å; I131-I136 HydrophobicContact CB-CD1 4.42Å; I131-I136 HydrophobicContact CD1-CD1 4.43Å; I131-I136 HydrophobicContact CG1-CB 4.31Å; I131-I136 HydrophobicContact CG1-CD1 3.42Å; I131-I136 VanDerWaalsContact CG1-CD1 3.42Å; I131-I136 HydrophobicContact CG1-CG1 4.46Å; I131-V143 WeakPolarHBondContact CG2-O 3.35Å; I131-N144 WeakPolarHBondContact O-CA 3.11Å; I131-P146 HydrophobicContact CB-CG 4.28Å; I131-P146 HydrophobicContact CD1-CB 4.33Å; I131-P146 HydrophobicContact CG2-CG 3.97Å |
| 132 | L | 95.1 | Very high | 94.2 | Very high | 96 Ų | 96 | 77.8 Ų | 77.8 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | -178.9 | -71 | 171.8 | 0 | 0 | 0 | 112.6 | R128 V129 R134 P146 | R128-L132 HydrophobicContact CG-CD1 4.28Å; R128-L132 WeakPolarHBondContact O-CG 3.16Å; R128-L132 PolarHBondContact O-N 3.27Å; R128-L132 VanDerWaalsContact O-N 3.08Å; V129-L132 PolarHBondContact O-N 2.97Å; L132-R134 PolarHBondContact O-N 3.43Å; L132-P146 HydrophobicContact CD2-CG 4.16Å; L132-P146 HydrophobicContact CG-CG 4.08Å |
| 133 | Q | 92.4 | Very high | 94.2 | Very high | 112 Ų | 112 | 67 Ų | 67 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.8 | 177 | -69.3 | 178 | -12.7 | 0 | 0 | 113.6 | V129 I131 | V129-Q133 HydrophobicContact CG1-CG 4.17Å; V129-Q133 WeakPolarHBondContact O-CB 3.33Å; V129-Q133 WeakPolarHBondContact O-CG 3.19Å; V129-Q133 PolarHBondContact O-N 2.88Å; I131-Q133 VanDerWaalsContact C-N 3.32Å; I131-Q133 PolarHBondContact O-N 2.8Å |
| 134 | R | 92.7 | Very high | 94.2 | Very high | 154 Ų | 154 | 68.4 Ų | 68.4 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 34.5 | 173.7 | -59.6 | -178.4 | 177.7 | -170.1 | -1.8 | 114.1 | M130 I131 L132 M142 N144 | M130-R134 PolarHBondContact O-N 3.17Å; I131-R134 PolarHBondContact O-N 3.35Å; I131-R134 VanDerWaalsContact O-N 3.08Å; L132-R134 PolarHBondContact O-N 3.43Å; R134-M142 HydrophobicContact CB-CE 4.33Å; R134-M142 HydrophobicContact CB-CG 4.32Å; R134-M142 HydrophobicContact CB-SD 3.6Å; R134-M142 VanDerWaalsContact CB-SD 3.6Å; R134-M142 HydrophobicContact CG-SD 4Å; R134-N144 HydrophobicContact CG-CB 4.34Å |
| 135 | H | 93 | Very high | 94.2 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 11% | 0.111 | 32% | 0.317 | C | S | . | . | trans | -92 | -16.8 | 178.1 | -64.4 | -49.8 | 0 | 0 | 0 | 114.2 | M130 F160 S161 Y166 | M130-H135 HydrophobicContact CB-CB 4.29Å; M130-H135 WeakPolarHBondContact O-CB 3.24Å; M130-H135 PolarHBondContact O-N 3.11Å; H135-F160 CarbonylContact O-C 3.58Å; H135-F160 VanDerWaalsContact O-CA 3.3Å; H135-F160 WeakPolarHBondContact O-CA 3.46Å; H135-S161 PolarHBondContact O-N 3.09Å; H135-Y166 HydrophobicContact CB-CD2 4.36Å; H135-Y166 HydrophobicContact CB-CE2 4.43Å; H135-Y166 AromaticContact CD2-CE2 3.88Å; H135-Y166 AromaticContact CG-CE2 3.88Å | ||
| 136 | I | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138 | -173.9 | -69.6 | 151.6 | 0 | 0 | 0 | 110.7 | L111 V115 M130 I131 V143 I158 | L111-I136 HydrophobicContact CD1-CG2 4.4Å; V115-I136 HydrophobicContact CB-CD1 4.3Å; V115-I136 HydrophobicContact CG1-CD1 3.52Å; V115-I136 HydrophobicContact CG1-CG1 4.47Å; V115-I136 HydrophobicContact CG2-CD1 3.81Å; V115-I136 HydrophobicContact CG2-CG1 4.4Å; V115-I136 HydrophobicContact CG2-CG2 3.94Å; M130-I136 HydrophobicContact CB-CD1 3.71Å; I131-I136 HydrophobicContact CB-CD1 4.42Å; I131-I136 HydrophobicContact CD1-CD1 4.43Å; I131-I136 HydrophobicContact CG1-CB 4.31Å; I131-I136 HydrophobicContact CG1-CD1 3.42Å; I131-I136 VanDerWaalsContact CG1-CD1 3.42Å; I131-I136 HydrophobicContact CG1-CG1 4.46Å; I136-V143 PolarHBondContact O-N 3.23Å; I136-I158 HydrophobicContact CG2-CG2 4.1Å |
| 137 | R | 94.4 | Very high | 94 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 23% | 0.226 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151.8 | 171 | 65.7 | 174.9 | 176.7 | 132.3 | -1.9 | 110.9 | R139 Q141 D159 F160 | R137-R139 PolarHBondContact NH1-O 3.47Å; R137-Q141 CarbonylContact C-O 3.58Å; R137-Q141 WeakPolarHBondContact CA-O 3.44Å; R137-Q141 WeakPolarHBondContact CB-O 3.32Å; R137-D159 WeakPolarHBondContact CG-O 3.33Å; R137-D159 PolarHBondContact N-O 2.93Å; R137-D159 IonicContact NH2-OD2 3.43Å; R137-D159 PolarHBondContact O-N 3.21Å; R137-F160 PolarHBondContact NE-O 2.95Å; R137-F160 VanDerWaalsContact NE-O 3.09Å |
| 138 | V | 94.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 69.1 Ų | 69.1 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.3 | 166.9 | -176.2 | 0 | 0 | 0 | 0 | 106.5 | L111 R140 Q141 V143 F148 I158 | L111-V138 HydrophobicContact CD1-CG2 3.62Å; L111-V138 HydrophobicContact CD2-CG2 4.19Å; V138-R140 PolarHBondContact O-N 3.48Å; V138-R140 VanDerWaalsContact O-N 3.13Å; V138-Q141 PolarHBondContact N-O 3.47Å; V138-Q141 PolarHBondContact O-N 2.92Å; V138-V143 HydrophobicContact CB-CG2 4.05Å; V138-V143 HydrophobicContact CG2-CB 4.38Å; V138-V143 HydrophobicContact CG2-CG2 3.82Å; V138-F148 HydrophobicContact CG1-CE1 4.32Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.19Å; V138-I158 HydrophobicContact CG2-CG1 4.44Å |
| 139 | R | 92.2 | Very high | 93.8 | Very high | 143 Ų | 143 | 70.5 Ų | 70.5 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -109.3 | -173.4 | -169.2 | -173.6 | -101.9 | -173.7 | -5.2 | 111.8 | R137 H157 | R137-R139 PolarHBondContact NH1-O 3.47Å; R139-H157 HydrophobicContact CB-CB 4.01Å; R139-H157 PolarHBondContact N-O 3.15Å |
| 140 | R | 91.5 | Very high | 93.7 | Very high | 236 Ų | 236 | 67.4 Ų | 67.4 | 89% | 0.891 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -16.8 | 179.2 | -69.8 | -177.5 | -179.6 | -178.4 | -0.6 | 112.1 | V138 | V138-R140 PolarHBondContact O-N 3.48Å; V138-R140 VanDerWaalsContact O-N 3.13Å |
| 141 | Q | 93.5 | Very high | 93.7 | Very high | 137 Ų | 137 | 74.2 Ų | 74.2 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.9 | -171.8 | -169.8 | 174 | 19.2 | 0 | 0 | 111.1 | R137 V138 | R137-Q141 CarbonylContact C-O 3.58Å; R137-Q141 WeakPolarHBondContact CA-O 3.44Å; R137-Q141 WeakPolarHBondContact CB-O 3.32Å; V138-Q141 PolarHBondContact N-O 3.47Å; V138-Q141 PolarHBondContact O-N 2.92Å |
| 142 | M | 92.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 77.3 Ų | 77.3 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.6 | 167.2 | 179.9 | -173.7 | -77.2 | 0 | 0 | 109.2 | R134 S161 T163 | R134-M142 HydrophobicContact CB-CE 4.33Å; R134-M142 HydrophobicContact CB-CG 4.32Å; R134-M142 HydrophobicContact CB-SD 3.6Å; R134-M142 VanDerWaalsContact CB-SD 3.6Å; R134-M142 HydrophobicContact CG-SD 4Å; M142-S161 VanDerWaalsContact CE-OG 3.3Å; M142-S161 WeakPolarHBondContact CE-OG 3.37Å; M142-T163 WeakPolarHBondContact CE-OG1 3.49Å |
| 143 | V | 94.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | trans | -113.6 | 119.4 | -177.3 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | L111 I131 I136 V138 F148 | L111-V143 HydrophobicContact CD2-CB 3.81Å; L111-V143 HydrophobicContact CD2-CG1 3.58Å; I131-V143 WeakPolarHBondContact CG2-O 3.35Å; I136-V143 PolarHBondContact O-N 3.23Å; V138-V143 HydrophobicContact CB-CG2 4.05Å; V138-V143 HydrophobicContact CG2-CB 4.38Å; V138-V143 HydrophobicContact CG2-CG2 3.82Å; V143-F148 HydrophobicContact CG1-CB 3.82Å; V143-F148 HydrophobicContact CG1-CD1 4.28Å; V143-F148 HydrophobicContact CG1-CD2 4.4Å; V143-F148 HydrophobicContact CG1-CG 3.92Å | ||
| 144 | N | 94.6 | Very high | 93.5 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -104 | 12.9 | -179.6 | 66.6 | -26.4 | 0 | 0 | 0 | 113.6 | I131 R134 | I131-N144 WeakPolarHBondContact O-CA 3.11Å; R134-N144 HydrophobicContact CG-CB 4.34Å | ||
| 145 | V | 94.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 68.6 Ų | 68.6 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | trans | -117.2 | 109.6 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | S147 F148 | V145-S147 WeakPolarHBondContact CG1-OG 3.33Å; V145-S147 PolarHBondContact O-N 3Å; V145-S147 VanDerWaalsContact O-N 3.17Å; V145-F148 VanDerWaalsContact O-CB 3.28Å; V145-F148 WeakPolarHBondContact O-CB 3.19Å; V145-F148 PolarHBondContact O-N 3.13Å; V145-F148 VanDerWaalsContact O-N 3.1Å | ||
| 146 | P | 95 | Very high | 93.4 | Very high | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.4 | -179.8 | -23.8 | 33.4 | 0 | 0 | 0 | 114.7 | Q112 R128 I131 L132 F148 | Q112-P146 HydrophobicContact CB-CB 4.19Å; R128-P146 HydrophobicContact CG-CB 4.04Å; R128-P146 HydrophobicContact CG-CG 3.74Å; I131-P146 HydrophobicContact CB-CG 4.28Å; I131-P146 HydrophobicContact CD1-CB 4.33Å; I131-P146 HydrophobicContact CG2-CG 3.97Å; L132-P146 HydrophobicContact CD2-CG 4.16Å; L132-P146 HydrophobicContact CG-CG 4.08Å; P146-F148 VanDerWaalsContact C-N 3.27Å |
| 147 | S | 92.9 | Very high | 93.3 | Very high | 58 Ų | 58 | 80.2 Ų | 80.2 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.7 | 177.2 | 69 | 0 | 0 | 0 | 0 | 113.8 | V145 I149 | V145-S147 WeakPolarHBondContact CG1-OG 3.33Å; V145-S147 PolarHBondContact O-N 3Å; V145-S147 VanDerWaalsContact O-N 3.17Å; S147-I149 PolarHBondContact O-N 3.25Å |
| 148 | F | 94.4 | Very high | 93.3 | Very high | 77 Ų | 77 | 77.7 Ų | 77.7 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 127.7 | 176.6 | -179 | -103.7 | 0 | 0 | 0 | 110.1 | R110 L111 V138 V143 V145 P146 V150 | R110-F148 CarbonylContact C-O 3.5Å; L111-F148 HydrophobicContact CB-CB 4.13Å; L111-F148 HydrophobicContact CB-CD1 4.29Å; L111-F148 WeakPolarHBondContact CB-O 3.37Å; L111-F148 HydrophobicContact CD2-CB 4.33Å; L111-F148 HydrophobicContact CD2-CD1 4.34Å; L111-F148 PolarHBondContact N-O 2.86Å; V138-F148 HydrophobicContact CG1-CE1 4.32Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.19Å; V143-F148 HydrophobicContact CG1-CB 3.82Å; V143-F148 HydrophobicContact CG1-CD1 4.28Å; V143-F148 HydrophobicContact CG1-CD2 4.4Å; V143-F148 HydrophobicContact CG1-CG 3.92Å; V145-F148 VanDerWaalsContact O-CB 3.28Å; V145-F148 WeakPolarHBondContact O-CB 3.19Å; V145-F148 PolarHBondContact O-N 3.13Å; V145-F148 VanDerWaalsContact O-N 3.1Å; P146-F148 VanDerWaalsContact C-N 3.27Å; F148-V150 HydrophobicContact CD1-CG2 4.14Å; F148-V150 HydrophobicContact CE1-CG2 4.39Å |
| 149 | I | 94 | Very high | 93.2 | Very high | 69 Ų | 69 | 80.6 Ų | 80.6 | 35% | 0.354 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -88.9 | 121.1 | 178.5 | -63.6 | 175.8 | 0 | 0 | 0 | 108.1 | I85 R109 S147 | I85-I149 HydrophobicContact CB-CG2 4.39Å; I85-I149 HydrophobicContact CG1-CG2 4.19Å; I85-I149 HydrophobicContact CG2-CG2 3.43Å; I85-I149 VanDerWaalsContact CG2-CG2 3.43Å; R109-I149 HydrophobicContact CB-CG2 4.25Å; S147-I149 PolarHBondContact O-N 3.25Å |
| 150 | V | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -86 | 122.2 | -177.2 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | I85 R109 L111 Q114 F148 E155 I158 | I85-V150 VanDerWaalsContact O-O 3.12Å; R109-V150 PolarHBondContact NE-O 2.82Å; R109-V150 PolarHBondContact NH2-O 3.05Å; R109-V150 PolarHBondContact O-N 2.85Å; L111-V150 HydrophobicContact CB-CG2 3.93Å; L111-V150 HydrophobicContact CD1-CG2 3.7Å; L111-V150 HydrophobicContact CG-CG2 4.44Å; Q114-V150 HydrophobicContact CB-CG2 4.35Å; Q114-V150 HydrophobicContact CG-CB 4.22Å; Q114-V150 HydrophobicContact CG-CG2 4.19Å; F148-V150 HydrophobicContact CD1-CG2 4.14Å; F148-V150 HydrophobicContact CE1-CG2 4.39Å; V150-E155 HydrophobicContact CG1-CB 4.06Å; V150-I158 HydrophobicContact CG1-CD1 3.91Å; V150-I158 HydrophobicContact CG2-CD1 4.16Å |
| 151 | R | 93.7 | Very high | 93.3 | Very high | 148 Ų | 148 | 65 Ų | 65 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 152 | 170.3 | -64.5 | -178 | 179.9 | 175.7 | -0.4 | 111.4 | L84 D153 S154 E155 | L84-R151 CarbonylContact O-C 3.57Å; L84-R151 WeakPolarHBondContact O-CA 3.47Å; L84-R151 WeakPolarHBondContact O-CB 3.34Å; R151-D153 VanDerWaalsContact C-N 3.32Å; R151-D153 PolarHBondContact O-N 2.89Å; R151-S154 PolarHBondContact O-N 3.06Å; R151-E155 PolarHBondContact O-N 2.71Å; R151-E155 VanDerWaalsContact O-N 3.09Å |
| 152 | L | 92.2 | Very high | 93.2 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 34% | 0.335 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -51.6 | -47.1 | 179.5 | -70.4 | 174.7 | 0 | 0 | 0 | 112.4 | V83 L84 S154 E155 | V83-L152 WeakPolarHBondContact O-CD1 3.45Å; L84-L152 PolarHBondContact O-N 2.81Å; L152-S154 PolarHBondContact O-N 3.39Å; L152-E155 VanDerWaalsContact O-CB 3.22Å; L152-E155 WeakPolarHBondContact O-CB 3.18Å; L152-E155 PolarHBondContact O-N 3.03Å; L152-E155 VanDerWaalsContact O-N 3.14Å |
| 153 | D | 92.8 | Very high | 93 | Very high | 103 Ų | 103 | 65.3 Ų | 65.3 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.1 | -32.8 | 179.6 | -49.7 | -23.5 | 0 | 0 | 0 | 113.6 | R151 H157 | R151-D153 VanDerWaalsContact C-N 3.32Å; R151-D153 PolarHBondContact O-N 2.89Å; D153-H157 PolarHBondContact O-ND1 3.32Å |
| 154 | S | 92.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -86.7 | -14.6 | -176.7 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | R151 L152 K156 H157 | R151-S154 PolarHBondContact O-N 3.06Å; L152-S154 PolarHBondContact O-N 3.39Å; S154-K156 PolarHBondContact O-N 3.14Å; S154-H157 PolarHBondContact O-N 2.82Å; S154-H157 VanDerWaalsContact O-N 3.15Å |
| 155 | E | 91.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | -176 | -172.6 | 170.8 | 170.9 | 0 | 0 | 112 | R109 Q114 K118 V150 R151 L152 H157 I158 | R109-E155 IonicContact CZ-OE2 3.76Å; R109-E155 IonicContact NH1-OE1 3.95Å; R109-E155 PolarHBondContact NH1-OE1 2.94Å; R109-E155 IonicContact NH1-OE2 3.1Å; R109-E155 PolarHBondContact NH1-OE2 2.9Å; R109-E155 IonicContact NH2-OE2 3.77Å; R109-E155 PolarHBondContact NH2-OE2 3.2Å; Q114-E155 PolarHBondContact OE1-OE1 3.07Å; K118-E155 WeakPolarHBondContact CE-O 3.3Å; K118-E155 PolarHBondContact NZ-O 2.96Å; V150-E155 HydrophobicContact CG1-CB 4.06Å; R151-E155 PolarHBondContact O-N 2.71Å; R151-E155 VanDerWaalsContact O-N 3.09Å; L152-E155 VanDerWaalsContact O-CB 3.22Å; L152-E155 WeakPolarHBondContact O-CB 3.18Å; L152-E155 PolarHBondContact O-N 3.03Å; L152-E155 VanDerWaalsContact O-N 3.14Å; E155-H157 PolarHBondContact O-N 3.29Å; E155-I158 WeakPolarHBondContact O-CG1 3.21Å; E155-I158 PolarHBondContact O-N 3.2Å |
| 156 | K | 92.1 | Very high | 91.9 | Very high | 181 Ų | 181 | 66.5 Ų | 66.5 | 79% | 0.787 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.5 | 177.7 | -63.6 | -177.2 | -177.3 | 179.5 | 0 | 112.5 | K118 S154 I158 | K118-K156 PolarHBondContact NZ-O 3.3Å; S154-K156 PolarHBondContact O-N 3.14Å; K156-I158 PolarHBondContact O-N 3.28Å |
| 157 | H | 92.7 | Very high | 91.6 | Very high | 88 Ų | 88 | 69.8 Ų | 69.8 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 20.7 | -172.7 | -52.8 | 93.6 | 0 | 0 | 0 | 114.3 | R139 D153 S154 E155 | R139-H157 HydrophobicContact CB-CB 4.01Å; R139-H157 PolarHBondContact N-O 3.15Å; D153-H157 PolarHBondContact O-ND1 3.32Å; S154-H157 PolarHBondContact O-N 2.82Å; S154-H157 VanDerWaalsContact O-N 3.15Å; E155-H157 PolarHBondContact O-N 3.29Å |
| 158 | I | 94.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120 | 170 | -56.4 | 168.2 | 0 | 0 | 0 | 108.6 | L111 Q114 V115 K118 L120 I136 V138 V150 E155 K156 | L111-I158 HydrophobicContact CD1-CD1 4.12Å; L111-I158 HydrophobicContact CD1-CG1 4.3Å; L111-I158 HydrophobicContact CD1-CG2 4.29Å; Q114-I158 HydrophobicContact CB-CD1 3.84Å; V115-I158 HydrophobicContact CG2-CG2 3.88Å; K118-I158 HydrophobicContact CD-CB 3.99Å; K118-I158 HydrophobicContact CD-CD1 4.32Å; K118-I158 HydrophobicContact CD-CG2 4.44Å; K118-I158 PolarHBondContact NZ-O 3.13Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; I136-I158 HydrophobicContact CG2-CG2 4.1Å; V138-I158 HydrophobicContact CG2-CG1 4.44Å; V150-I158 HydrophobicContact CG1-CD1 3.91Å; V150-I158 HydrophobicContact CG2-CD1 4.16Å; E155-I158 WeakPolarHBondContact O-CG1 3.21Å; E155-I158 PolarHBondContact O-N 3.2Å; K156-I158 PolarHBondContact O-N 3.28Å |
| 159 | D | 94 | Very high | 90.8 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 175.6 | 178.5 | -166.6 | 10.6 | 0 | 0 | 0 | 110.2 | R137 | R137-D159 WeakPolarHBondContact CG-O 3.33Å; R137-D159 PolarHBondContact N-O 2.93Å; R137-D159 IonicContact NH2-OD2 3.43Å; R137-D159 PolarHBondContact O-N 3.21Å |
| 160 | F | 93.5 | Very high | 90.2 | Very high | 43 Ų | 43 | 74 Ų | 74 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 144.9 | 169 | -67.8 | -70.3 | 0 | 0 | 0 | 111.4 | L120 M130 H135 R137 Y166 V167 | L120-F160 HydrophobicContact CB-CZ 4.44Å; L120-F160 HydrophobicContact CD2-CD2 4.18Å; L120-F160 HydrophobicContact CD2-CE2 3.81Å; L120-F160 HydrophobicContact CD2-CZ 4.32Å; M130-F160 HydrophobicContact SD-CE1 3.94Å; H135-F160 CarbonylContact O-C 3.58Å; H135-F160 VanDerWaalsContact O-CA 3.3Å; H135-F160 WeakPolarHBondContact O-CA 3.46Å; R137-F160 PolarHBondContact NE-O 2.95Å; R137-F160 VanDerWaalsContact NE-O 3.09Å; F160-Y166 HydrophobicContact CD1-CD2 4.19Å; F160-Y166 HydrophobicContact CD1-CG 4.44Å; F160-Y166 HydrophobicContact CE1-CD2 4.1Å; F160-Y166 HydrophobicContact CE1-CG 4.31Å; F160-V167 HydrophobicContact CB-CG2 3.46Å; F160-V167 VanDerWaalsContact CB-CG2 3.46Å; F160-V167 HydrophobicContact CG-CG2 4.47Å |
| 161 | S | 92.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | trans | -65.3 | 140.2 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | H135 M142 T163 S164 V167 | H135-S161 PolarHBondContact O-N 3.09Å; M142-S161 VanDerWaalsContact CE-OG 3.3Å; M142-S161 WeakPolarHBondContact CE-OG 3.37Å; S161-T163 PolarHBondContact O-N 2.97Å; S161-T163 VanDerWaalsContact O-N 3.14Å; S161-T163 PolarHBondContact OG-N 3.47Å; S161-T163 PolarHBondContact OG-OG1 3.17Å; S161-S164 WeakPolarHBondContact O-CB 3.41Å; S161-S164 PolarHBondContact O-N 3.29Å; S161-S164 PolarHBondContact O-OG 2.98Å; S161-V167 WeakPolarHBondContact O-CG2 3.44Å | ||
| 162 | L | 90.7 | Very high | 89 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 60% | 0.597 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.8 | 175.4 | -59.2 | 177.4 | 0 | 0 | 0 | 112.4 | S164 T168 | L162-S164 VanDerWaalsContact C-N 3.33Å; L162-T168 PolarHBondContact O-OG1 3.44Å |
| 163 | T | 87.6 | Confident | 88.5 | Confident | 102 Ų | 102 | 77.4 Ų | 77.4 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.5 | 176.8 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | M142 S161 | M142-T163 WeakPolarHBondContact CE-OG1 3.49Å; S161-T163 PolarHBondContact O-N 2.97Å; S161-T163 VanDerWaalsContact O-N 3.14Å; S161-T163 PolarHBondContact OG-N 3.47Å; S161-T163 PolarHBondContact OG-OG1 3.17Å |
| 164 | S | 86.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -79.4 | 144.4 | -175.1 | 73.2 | 0 | 0 | 0 | 0 | 110.6 | S161 L162 Y166 V167 T168 | S161-S164 WeakPolarHBondContact O-CB 3.41Å; S161-S164 PolarHBondContact O-N 3.29Å; S161-S164 PolarHBondContact O-OG 2.98Å; L162-S164 VanDerWaalsContact C-N 3.33Å; S164-Y166 PolarHBondContact O-N 2.96Å; S164-Y166 VanDerWaalsContact O-N 3.07Å; S164-V167 PolarHBondContact O-N 3.34Å; S164-T168 PolarHBondContact O-N 3.36Å; S164-T168 PolarHBondContact O-OG1 3.39Å |
| 165 | P | 87 | Confident | 87.7 | Confident | 43 Ų | 43 | 84.3 Ų | 84.3 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.9 | -25.3 | 174.1 | -27.1 | 36.2 | 0 | 0 | 0 | 113.9 | V167 G169 K170 | P165-V167 VanDerWaalsContact C-N 3.35Å; P165-G169 VanDerWaalsContact O-CA 3.3Å; P165-G169 WeakPolarHBondContact O-CA 3.32Å; P165-G169 PolarHBondContact O-N 3.44Å; P165-K170 WeakPolarHBondContact CB-O 3.39Å |
| 166 | Y | 86.3 | Confident | 87.4 | Confident | 136 Ų | 136 | 88.4 Ų | 88.4 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.2 | -30.4 | 177.8 | -63.6 | -69.4 | 0 | 0 | 0 | 113.3 | H135 F160 S164 | H135-Y166 HydrophobicContact CB-CD2 4.36Å; H135-Y166 HydrophobicContact CB-CE2 4.43Å; H135-Y166 AromaticContact CD2-CE2 3.88Å; H135-Y166 AromaticContact CG-CE2 3.88Å; F160-Y166 HydrophobicContact CD1-CD2 4.19Å; F160-Y166 HydrophobicContact CD1-CG 4.44Å; F160-Y166 HydrophobicContact CE1-CD2 4.1Å; F160-Y166 HydrophobicContact CE1-CG 4.31Å; S164-Y166 PolarHBondContact O-N 2.96Å; S164-Y166 VanDerWaalsContact O-N 3.07Å |
| 167 | V | 88.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 86.7 Ų | 86.7 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -93.5 | -43.1 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | F160 S161 S164 P165 G169 | F160-V167 HydrophobicContact CB-CG2 3.46Å; F160-V167 VanDerWaalsContact CB-CG2 3.46Å; F160-V167 HydrophobicContact CG-CG2 4.47Å; S161-V167 WeakPolarHBondContact O-CG2 3.44Å; S164-V167 PolarHBondContact O-N 3.34Å; P165-V167 VanDerWaalsContact C-N 3.35Å; V167-G169 VanDerWaalsContact C-N 3.32Å; V167-G169 PolarHBondContact O-N 3.13Å |
| 168 | T | 86.7 | Confident | 86.8 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -75.4 | -19.6 | -177.1 | -44.2 | 0 | 0 | 0 | 0 | 113 | L162 S164 K170 | L162-T168 PolarHBondContact O-OG1 3.44Å; S164-T168 PolarHBondContact O-N 3.36Å; S164-T168 PolarHBondContact O-OG1 3.39Å; T168-K170 HydrophobicContact CG2-CB 4.12Å; T168-K170 HydrophobicContact CG2-CD 4.17Å; T168-K170 HydrophobicContact CG2-CG 4.17Å; T168-K170 PolarHBondContact O-N 2.97Å |
| 169 | G | 83.5 | Confident | 86.5 | Confident | 63 Ų | 63 | 89.7 Ų | 89.7 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | trans | 71.3 | -26.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P165 V167 | P165-G169 VanDerWaalsContact O-CA 3.3Å; P165-G169 WeakPolarHBondContact O-CA 3.32Å; P165-G169 PolarHBondContact O-N 3.44Å; V167-G169 VanDerWaalsContact C-N 3.32Å; V167-G169 PolarHBondContact O-N 3.13Å | ||
| 170 | K | 81.8 | Confident | 86.2 | Confident | 157 Ų | 157 | 92.6 Ų | 92.6 | 68% | 0.683 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -68.5 | 124.9 | 179.3 | -68.4 | 179.3 | 179.5 | 176.2 | 0 | 111.3 | P165 T168 | P165-K170 WeakPolarHBondContact CB-O 3.39Å; T168-K170 HydrophobicContact CG2-CB 4.12Å; T168-K170 HydrophobicContact CG2-CD 4.17Å; T168-K170 HydrophobicContact CG2-CG 4.17Å; T168-K170 PolarHBondContact O-N 2.97Å |
| 171 | P | 81.8 | Confident | 85.8 | Confident | 45 Ų | 45 | 97 Ų | 97 | 29% | 0.292 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 140.9 | 180 | 21.2 | -29.6 | 0 | 0 | 0 | 112.1 | R175 R176 M179 | P171-R175 HydrophobicContact CB-CB 4.3Å; P171-R175 HydrophobicContact CB-CG 4.26Å; P171-R176 HydrophobicContact CB-CG 4.11Å; P171-R176 HydrophobicContact CG-CG 3.8Å; P171-R176 WeakPolarHBondContact O-CD 3.5Å; P171-R176 PolarHBondContact O-NE 2.88Å; P171-M179 HydrophobicContact CB-CE 3.93Å; P171-M179 HydrophobicContact CG-CE 3.77Å |
| 172 | G | 80.3 | Confident | 85.4 | Confident | 27 Ų | 27 | 99.5 Ų | 99.5 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 161.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V174 R175 R176 | G172-V174 VanDerWaalsContact C-N 3.31Å; G172-V174 PolarHBondContact O-N 2.83Å; G172-R175 PolarHBondContact O-N 2.98Å; G172-R175 VanDerWaalsContact O-N 3.13Å; G172-R176 PolarHBondContact O-N 2.86Å |
| 173 | R | 82.2 | Confident | 85 | Confident | 212 Ų | 212 | 99.5 Ų | 99.5 | 80% | 0.8 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -51.3 | -45.6 | -176.9 | -178.1 | -177.6 | 178.4 | -167.8 | 0.7 | 113.2 | R176 R177 | R173-R176 PolarHBondContact O-N 2.75Å; R173-R177 WeakPolarHBondContact O-CB 3.48Å; R173-R177 PolarHBondContact O-N 3.38Å |
| 174 | V | 83.6 | Confident | 84.7 | Confident | 102 Ų | 102 | 100.6 Ų | 100.6 | 62% | 0.618 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | -179 | 178.4 | 0 | 0 | 0 | 0 | 111 | G172 R176 R177 N178 | G172-V174 VanDerWaalsContact C-N 3.31Å; G172-V174 PolarHBondContact O-N 2.83Å; V174-R176 PolarHBondContact O-N 3.34Å; V174-R177 PolarHBondContact O-N 2.79Å; V174-N178 WeakPolarHBondContact O-CB 3.33Å; V174-N178 VanDerWaalsContact O-CG 3.29Å; V174-N178 PolarHBondContact O-N 2.85Å; V174-N178 PolarHBondContact O-OD1 3.27Å |
| 175 | R | 84 | Confident | 84.2 | Confident | 172 Ų | 172 | 103.3 Ų | 103.3 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 176.7 | -170.3 | 173.4 | 176.6 | 176.2 | -0.8 | 111.3 | P171 G172 R177 N178 M179 | P171-R175 HydrophobicContact CB-CB 4.3Å; P171-R175 HydrophobicContact CB-CG 4.26Å; G172-R175 PolarHBondContact O-N 2.98Å; G172-R175 VanDerWaalsContact O-N 3.13Å; R175-R177 PolarHBondContact O-N 3.43Å; R175-N178 PolarHBondContact O-N 2.76Å; R175-M179 HydrophobicContact CG-CE 4.14Å; R175-M179 HydrophobicContact CG-SD 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.42Å; R175-M179 PolarHBondContact O-N 2.92Å |
| 176 | R | 85.9 | Confident | 83.7 | Confident | 136 Ų | 136 | 103.8 Ų | 103.8 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 173.2 | -75.7 | -172.5 | -78 | 157.7 | -1.5 | 112.7 | P171 G172 R173 V174 N178 M179 K180 | P171-R176 HydrophobicContact CB-CG 4.11Å; P171-R176 HydrophobicContact CG-CG 3.8Å; P171-R176 WeakPolarHBondContact O-CD 3.5Å; P171-R176 PolarHBondContact O-NE 2.88Å; G172-R176 PolarHBondContact O-N 2.86Å; R173-R176 PolarHBondContact O-N 2.75Å; V174-R176 PolarHBondContact O-N 3.34Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-M179 HydrophobicContact CG-CE 4.22Å; R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 WeakPolarHBondContact O-CG 3.17Å; R176-K180 PolarHBondContact O-N 2.95Å |
| 177 | R | 85.8 | Confident | 83.2 | Confident | 145 Ų | 145 | 103.9 Ų | 103.9 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.5 | -171 | -176.8 | -174 | -174.8 | 4.8 | 111.9 | R173 V174 R175 R181 | R173-R177 WeakPolarHBondContact O-CB 3.48Å; R173-R177 PolarHBondContact O-N 3.38Å; V174-R177 PolarHBondContact O-N 2.79Å; R175-R177 PolarHBondContact O-N 3.43Å; R177-R181 WeakPolarHBondContact O-CB 3.31Å; R177-R181 WeakPolarHBondContact O-CG 3.26Å; R177-R181 PolarHBondContact O-N 3.31Å |
| 178 | N | 87.6 | Confident | 82.4 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.1 | -39 | 178.9 | -70.9 | -0.6 | 0 | 0 | 0 | 111.6 | V174 R175 R176 R181 A182 | V174-N178 WeakPolarHBondContact O-CB 3.33Å; V174-N178 VanDerWaalsContact O-CG 3.29Å; V174-N178 PolarHBondContact O-N 2.85Å; V174-N178 PolarHBondContact O-OD1 3.27Å; R175-N178 PolarHBondContact O-N 2.76Å; R176-N178 VanDerWaalsContact C-N 3.34Å; N178-R181 PolarHBondContact O-N 2.87Å; N178-A182 WeakPolarHBondContact O-CB 3.43Å; N178-A182 PolarHBondContact O-N 3.39Å |
| 179 | M | 86.2 | Confident | 81.7 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 36% | 0.36 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 172.7 | -69.9 | -178.5 | -53.4 | 0 | 0 | 110.6 | P171 R175 R176 R181 A182 E183 | P171-M179 HydrophobicContact CB-CE 3.93Å; P171-M179 HydrophobicContact CG-CE 3.77Å; R175-M179 HydrophobicContact CG-CE 4.14Å; R175-M179 HydrophobicContact CG-SD 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.42Å; R175-M179 PolarHBondContact O-N 2.92Å; R176-M179 HydrophobicContact CG-CE 4.22Å; M179-R181 VanDerWaalsContact C-N 3.3Å; M179-R181 PolarHBondContact O-N 3.3Å; M179-A182 WeakPolarHBondContact O-CB 3.39Å; M179-A182 PolarHBondContact O-N 3.35Å; M179-E183 WeakPolarHBondContact O-CG 3.46Å; M179-E183 PolarHBondContact O-N 3.18Å |
| 180 | K | 88 | Confident | 81 | Confident | 133 Ų | 133 | 103 Ų | 103 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59 | -37.8 | 173.8 | -73.4 | -171.3 | 173.6 | -157.3 | 0 | 113.9 | R176 Q184 | R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 WeakPolarHBondContact O-CG 3.17Å; R176-K180 PolarHBondContact O-N 2.95Å; K180-Q184 WeakPolarHBondContact O-CB 3.44Å; K180-Q184 WeakPolarHBondContact O-CG 3.32Å; K180-Q184 PolarHBondContact O-N 3.15Å |
| 181 | R | 85.5 | Confident | 80.2 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 175.4 | -82.4 | 178.1 | 168.5 | -171.6 | -8.3 | 112.2 | R177 N178 M179 A185 | R177-R181 WeakPolarHBondContact O-CB 3.31Å; R177-R181 WeakPolarHBondContact O-CG 3.26Å; R177-R181 PolarHBondContact O-N 3.31Å; N178-R181 PolarHBondContact O-N 2.87Å; M179-R181 VanDerWaalsContact C-N 3.3Å; M179-R181 PolarHBondContact O-N 3.3Å; R181-A185 WeakPolarHBondContact O-CB 3.5Å; R181-A185 PolarHBondContact O-N 3.06Å |
| 182 | A | 83 | Confident | 79.2 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N178 M179 A185 A186 | N178-A182 WeakPolarHBondContact O-CB 3.43Å; N178-A182 PolarHBondContact O-N 3.39Å; M179-A182 WeakPolarHBondContact O-CB 3.39Å; M179-A182 PolarHBondContact O-N 3.35Å; A182-A185 PolarHBondContact O-N 3.04Å; A182-A186 WeakPolarHBondContact O-CB 3.33Å; A182-A186 PolarHBondContact O-N 2.97Å |
| 183 | E | 83.6 | Confident | 78.3 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.2 | -52.3 | 171.3 | -72.1 | 158.9 | -164.8 | 0 | 0 | 110.7 | M179 A185 A186 E187 | M179-E183 WeakPolarHBondContact O-CG 3.46Å; M179-E183 PolarHBondContact O-N 3.18Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.3Å; E183-A186 PolarHBondContact O-N 2.97Å; E183-E187 PolarHBondContact O-N 3.28Å |
| 184 | Q | 79.5 | Confident | 77.2 | Confident | 124 Ų | 124 | 97.7 Ų | 97.7 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -33.7 | 176.8 | -73.6 | 175 | -10.6 | 0 | 0 | 113.5 | K180 A188 | K180-Q184 WeakPolarHBondContact O-CB 3.44Å; K180-Q184 WeakPolarHBondContact O-CG 3.32Å; K180-Q184 PolarHBondContact O-N 3.15Å; Q184-A188 WeakPolarHBondContact O-CB 3.3Å; Q184-A188 PolarHBondContact O-N 3.26Å |
| 185 | A | 78.3 | Confident | 75.9 | Confident | 58 Ų | 58 | 96.8 Ų | 96.8 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.1 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R181 A182 E183 A188 A189 | R181-A185 WeakPolarHBondContact O-CB 3.5Å; R181-A185 PolarHBondContact O-N 3.06Å; A182-A185 PolarHBondContact O-N 3.04Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.3Å; A185-A188 PolarHBondContact O-N 3.43Å; A185-A189 WeakPolarHBondContact O-CB 3.44Å; A185-A189 PolarHBondContact O-N 3.41Å |
| 186 | A | 76.2 | Confident | 74.5 | Confident | 54 Ų | 54 | 93.4 Ų | 93.4 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -47.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A182 E183 A188 A189 D190 | A182-A186 WeakPolarHBondContact O-CB 3.33Å; A182-A186 PolarHBondContact O-N 2.97Å; E183-A186 PolarHBondContact O-N 2.97Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.48Å; A186-A189 PolarHBondContact O-N 3.38Å; A186-D190 PolarHBondContact O-N 2.95Å |
| 187 | E | 75.3 | Confident | 73 | Confident | 138 Ų | 138 | 95 Ų | 95 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 173.3 | -73.9 | 177.6 | 171.4 | 0 | 0 | 112.1 | E183 A191 | E183-E187 PolarHBondContact O-N 3.28Å; E187-A191 WeakPolarHBondContact O-CB 3.49Å; E187-A191 PolarHBondContact O-N 3.16Å |
| 188 | A | 72.4 | Confident | 71.6 | Confident | 55 Ų | 55 | 91.3 Ų | 91.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.3 | -31.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q184 A185 A186 A192 | Q184-A188 WeakPolarHBondContact O-CB 3.3Å; Q184-A188 PolarHBondContact O-N 3.26Å; A185-A188 PolarHBondContact O-N 3.43Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.48Å; A188-A192 WeakPolarHBondContact O-CB 3.44Å; A188-A192 PolarHBondContact O-N 2.94Å |
| 189 | A | 70.3 | Confident | 70.2 | Confident | 45 Ų | 45 | 92 Ų | 92 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.7 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | A185 A186 A191 A192 I193 | A185-A189 WeakPolarHBondContact O-CB 3.44Å; A185-A189 PolarHBondContact O-N 3.41Å; A186-A189 PolarHBondContact O-N 3.38Å; A189-A191 VanDerWaalsContact C-N 3.3Å; A189-A191 PolarHBondContact O-N 3.12Å; A189-A192 PolarHBondContact O-N 2.86Å; A189-A192 VanDerWaalsContact O-N 3.14Å; A189-I193 WeakPolarHBondContact O-CB 3.44Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.47Å; A189-I193 PolarHBondContact O-N 3.42Å |
| 190 | D | 69.8 | Low | 68.6 | Low | 93 Ų | 93 | 93.4 Ų | 93.4 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 172.3 | -81.2 | -2.6 | 0 | 0 | 0 | 110.7 | A186 N194 | A186-D190 PolarHBondContact O-N 2.95Å; D190-N194 PolarHBondContact O-N 2.91Å; D190-N194 VanDerWaalsContact O-N 3.11Å; D190-N194 PolarHBondContact O-ND2 3.25Å |
| 191 | A | 65.4 | Low | 66.9 | Low | 53 Ų | 53 | 91.9 Ų | 91.9 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E187 A189 N194 V195 | E187-A191 WeakPolarHBondContact O-CB 3.49Å; E187-A191 PolarHBondContact O-N 3.16Å; A189-A191 VanDerWaalsContact C-N 3.3Å; A189-A191 PolarHBondContact O-N 3.12Å; A191-N194 PolarHBondContact O-N 3.46Å; A191-V195 VanDerWaalsContact O-CG2 3.24Å; A191-V195 WeakPolarHBondContact O-CG2 3.42Å; A191-V195 PolarHBondContact O-N 3.08Å |
| 192 | A | 60.4 | Low | 65.1 | Low | 53 Ų | 53 | 90.4 Ų | 90.4 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.4 | -34.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A188 A189 N194 V195 L196 | A188-A192 WeakPolarHBondContact O-CB 3.44Å; A188-A192 PolarHBondContact O-N 2.94Å; A189-A192 PolarHBondContact O-N 2.86Å; A189-A192 VanDerWaalsContact O-N 3.14Å; A192-N194 VanDerWaalsContact C-N 3.35Å; A192-V195 PolarHBondContact O-N 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 PolarHBondContact O-N 3.4Å |
| 193 | I | 61.6 | Low | 63.2 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 54% | 0.544 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 171.9 | -71 | 165.3 | 0 | 0 | 0 | 109.1 | A189 V195 L196 Y197 | A189-I193 WeakPolarHBondContact O-CB 3.44Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.47Å; A189-I193 PolarHBondContact O-N 3.42Å; I193-V195 PolarHBondContact O-N 3.08Å; I193-L196 PolarHBondContact O-N 3.34Å; I193-Y197 WeakPolarHBondContact O-CB 3.45Å; I193-Y197 PolarHBondContact O-N 2.87Å |
| 194 | N | 58.4 | Low | 61.1 | Low | 117 Ų | 117 | 96.3 Ų | 96.3 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 176.2 | -74 | -19.4 | 0 | 0 | 0 | 112.8 | D190 A191 A192 A198 | D190-N194 PolarHBondContact O-N 2.91Å; D190-N194 VanDerWaalsContact O-N 3.11Å; D190-N194 PolarHBondContact O-ND2 3.25Å; A191-N194 PolarHBondContact O-N 3.46Å; A192-N194 VanDerWaalsContact C-N 3.35Å; N194-A198 WeakPolarHBondContact O-CB 3.46Å; N194-A198 PolarHBondContact O-N 3.39Å |
| 195 | V | 57.5 | Low | 59.2 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.9 | -38.5 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | A191 A192 I193 A198 V199 | A191-V195 VanDerWaalsContact O-CG2 3.24Å; A191-V195 WeakPolarHBondContact O-CG2 3.42Å; A191-V195 PolarHBondContact O-N 3.08Å; A192-V195 PolarHBondContact O-N 3.22Å; I193-V195 PolarHBondContact O-N 3.08Å; V195-A198 CarbonylContact O-C 3.52Å; V195-A198 PolarHBondContact O-N 2.71Å; V195-V199 HydrophobicContact CG1-CG2 4.09Å; V195-V199 WeakPolarHBondContact O-CB 3.36Å; V195-V199 VanDerWaalsContact O-CG2 3.23Å; V195-V199 WeakPolarHBondContact O-CG2 3.28Å; V195-V199 PolarHBondContact O-N 3.39Å |
| 196 | L | 54.7 | Low | 57.4 | Low | 100 Ų | 100 | 101.8 Ų | 101.8 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -38.9 | 177.6 | -170.6 | 71.3 | 0 | 0 | 0 | 110.9 | A192 I193 A198 V199 M200 | A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 PolarHBondContact O-N 3.4Å; I193-L196 PolarHBondContact O-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.08Å; L196-V199 PolarHBondContact O-N 2.98Å; L196-M200 HydrophobicContact CD1-CG 3.96Å; L196-M200 HydrophobicContact CD1-SD 3.89Å; L196-M200 HydrophobicContact CD2-SD 4.09Å; L196-M200 HydrophobicContact CG-CG 4.09Å; L196-M200 HydrophobicContact CG-SD 3.76Å; L196-M200 VanDerWaalsContact O-CB 3.31Å; L196-M200 WeakPolarHBondContact O-CB 3.36Å; L196-M200 WeakPolarHBondContact O-CG 3.43Å; L196-M200 PolarHBondContact O-N 3.29Å |
| 197 | Y | 54.3 | Low | 55.6 | Low | 170 Ų | 170 | 108 Ų | 108 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.4 | -40.5 | 172.5 | -158.5 | -98.4 | 0 | 0 | 0 | 111.2 | I193 H201 | I193-Y197 WeakPolarHBondContact O-CB 3.45Å; I193-Y197 PolarHBondContact O-N 2.87Å; Y197-H201 PolarHBondContact O-ND1 3.09Å |
| 198 | A | 55.7 | Low | 53.8 | Low | 68 Ų | 68 | 106.6 Ų | 106.6 | 56% | 0.562 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73 | -28.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | N194 V195 L196 | N194-A198 WeakPolarHBondContact O-CB 3.46Å; N194-A198 PolarHBondContact O-N 3.39Å; V195-A198 CarbonylContact O-C 3.52Å; V195-A198 PolarHBondContact O-N 2.71Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.08Å |
| 199 | V | 57.8 | Low | 52.3 | Low | 97 Ų | 97 | 113.4 Ų | 113.4 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -92.6 | -31.5 | -177.7 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | V195 L196 H201 P202 | V195-V199 HydrophobicContact CG1-CG2 4.09Å; V195-V199 WeakPolarHBondContact O-CB 3.36Å; V195-V199 VanDerWaalsContact O-CG2 3.23Å; V195-V199 WeakPolarHBondContact O-CG2 3.28Å; V195-V199 PolarHBondContact O-N 3.39Å; L196-V199 PolarHBondContact O-N 2.98Å; V199-H201 VanDerWaalsContact C-N 3.29Å; V199-P202 WeakPolarHBondContact O-CD 3.36Å |
| 200 | M | 53.5 | Low | 51.1 | Low | 103 Ų | 103 | 115.6 Ų | 115.6 | 51% | 0.507 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.1 | -14.2 | 176.2 | -74.5 | -173.8 | 64.3 | 0 | 0 | 113.3 | L196 P202 | L196-M200 HydrophobicContact CD1-CG 3.96Å; L196-M200 HydrophobicContact CD1-SD 3.89Å; L196-M200 HydrophobicContact CD2-SD 4.09Å; L196-M200 HydrophobicContact CG-CG 4.09Å; L196-M200 HydrophobicContact CG-SD 3.76Å; L196-M200 VanDerWaalsContact O-CB 3.31Å; L196-M200 WeakPolarHBondContact O-CB 3.36Å; L196-M200 WeakPolarHBondContact O-CG 3.43Å; L196-M200 PolarHBondContact O-N 3.29Å; M200-P202 VanDerWaalsContact C-CD 3.45Å; M200-P202 WeakPolarHBondContact O-CD 3.37Å |
| 201 | H | 51.6 | Low | 50.2 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 47% | 0.472 | 64% | 0.636 | S | S | . | * | trans | -121.7 | 66.9 | 173.2 | -61.7 | 84.3 | 0 | 0 | 0 | 112 | Y197 V199 Q203 | Y197-H201 PolarHBondContact O-ND1 3.09Å; V199-H201 VanDerWaalsContact C-N 3.29Å; H201-Q203 VanDerWaalsContact C-N 3.28Å; H201-Q203 PolarHBondContact O-N 3.14Å | ||
| 202 | P | 46.8 | Very low | 49.7 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -79 | -2.5 | -178.3 | 21.9 | -14.6 | 0 | 0 | 0 | 114.4 | V199 M200 | V199-P202 WeakPolarHBondContact O-CD 3.36Å; M200-P202 VanDerWaalsContact C-CD 3.45Å; M200-P202 WeakPolarHBondContact O-CD 3.37Å |
| 203 | Q | 44 | Very low | 49.6 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -146.8 | 21.8 | -171.4 | -69.8 | -154.3 | -16.3 | 0 | 0 | 118.3 | H201 | H201-Q203 VanDerWaalsContact C-N 3.28Å; H201-Q203 PolarHBondContact O-N 3.14Å |
| 204 | N | 39.9 | Very low | 49.8 | Very low | 122 Ų | 122 | 125 Ų | 125 | 65% | 0.652 | 67% | 0.669 | S | S | * | * | trans | -122.4 | 69.5 | 164.8 | -86.4 | -13.5 | 0 | 0 | 0 | 109.9 | H206 | N204-H206 PolarHBondContact O-N 3.46Å; N204-H206 VanDerWaalsContact O-N 3.07Å | ||
| 205 | I | 39 | Very low | 50.5 | Low | 166 Ų | 166 | 122.1 Ų | 122.1 | 85% | 0.851 | 66% | 0.662 | S | S | * | * | trans | -72.6 | 86 | 148.2 | -60.3 | 169.6 | 0 | 0 | 0 | 103.4 | E207 | I205-E207 PolarHBondContact O-N 3.2Š| ||
| 206 | H | 40.6 | Very low | 51.7 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 61% | 0.611 | 65% | 0.645 | S | S | * | * | trans | -61 | 110.6 | 162.8 | -98.2 | -82.4 | 0 | 0 | 0 | 105.9 | N204 D208 | N204-H206 PolarHBondContact O-N 3.46Å; N204-H206 VanDerWaalsContact O-N 3.07Å; H206-D208 PolarHBondContact O-N 3.02Å | ||
| 207 | E | 38.6 | Very low | 53.1 | Low | 183 Ų | 183 | 118.8 Ų | 118.8 | 86% | 0.855 | 65% | 0.646 | S | S | * | * | trans | -50.7 | 81.3 | 151 | -68.5 | 174.6 | 147.9 | 0 | 0 | 107.8 | I205 | I205-E207 PolarHBondContact O-N 3.2Š| ||
| 208 | D | 37.1 | Very low | 54.6 | Low | 109 Ų | 109 | 114.4 Ų | 114.4 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | trans | -162.8 | 107.3 | 170.4 | -91 | -36 | 0 | 0 | 0 | 109.5 | H206 | H206-D208 PolarHBondContact O-N 3.02Š| ||
| 209 | Y | 41.1 | Very low | 55.9 | Low | 199 Ų | 199 | 113.2 Ų | 113.2 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | trans | 78.4 | 84.2 | 169.4 | -52.9 | -81.7 | 0 | 0 | 0 | 118.5 | I211 | Y209-I211 PolarHBondContact O-N 2.67Š| ||
| 210 | G | 44.5 | Very low | 57.1 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 93% | 0.928 | 60% | 0.601 | S | S | * | * | 34.6 | 7.5 | 117.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | V212 | G210-V212 PolarHBondContact O-N 3.06Š| |||
| 211 | I | 51.7 | Low | 58.3 | Low | 139 Ų | 139 | 114.8 Ų | 114.8 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | trans | -94.3 | 93.7 | 179.7 | -54.2 | 172.1 | 0 | 0 | 0 | 107.5 | Y209 V213 | Y209-I211 PolarHBondContact O-N 2.67Å; I211-V213 HydrophobicContact CG2-CG2 4.04Å; I211-V213 PolarHBondContact O-N 3.22Å | ||
| 212 | V | 55.3 | Low | 59.4 | Low | 128 Ų | 128 | 111.9 Ų | 111.9 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | trans | -66.2 | 97.6 | 168.2 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | G210 D214 | G210-V212 PolarHBondContact O-N 3.06Å; V212-D214 HydrophobicContact CG1-CB 4.34Å; V212-D214 PolarHBondContact O-N 2.98Å; V212-D214 VanDerWaalsContact O-N 3.09Å | ||
| 213 | V | 58.2 | Low | 60.7 | Low | 123 Ų | 123 | 114.3 Ų | 114.3 | 75% | 0.745 | 61% | 0.609 | S | S | * | * | trans | -78.7 | 90.4 | 172.4 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | I211 A215 | I211-V213 HydrophobicContact CG2-CG2 4.04Å; I211-V213 PolarHBondContact O-N 3.22Å; V213-A215 PolarHBondContact O-N 3.41Å | ||
| 214 | D | 65.1 | Low | 62.3 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 60% | 0.599 | 60% | 0.596 | S | S | * | * | trans | -92.8 | 80.4 | -179.4 | -159.2 | 17.7 | 0 | 0 | 0 | 110.4 | V212 L216 | V212-D214 HydrophobicContact CG1-CB 4.34Å; V212-D214 PolarHBondContact O-N 2.98Å; V212-D214 VanDerWaalsContact O-N 3.09Å; D214-L216 WeakPolarHBondContact OD1-CG 3.08Å | ||
| 215 | A | 73.8 | Confident | 64.3 | Low | 58 Ų | 58 | 113.3 Ų | 113.3 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | trans | -112.9 | 124.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | V213 P217 | V213-A215 PolarHBondContact O-N 3.41Å; A215-P217 VanDerWaalsContact C-CD 3.5Å; A215-P217 WeakPolarHBondContact O-CD 3.32Å | ||
| 216 | L | 83 | Confident | 66.5 | Low | 27 Ų | 27 | 111.6 Ų | 111.6 | 14% | 0.141 | 60% | 0.596 | C | S | . | * | trans | -119.3 | 78.5 | -171.4 | -58.9 | 173.4 | 0 | 0 | 0 | 110.6 | D214 Y218 I219 D220 Q370 L377 | D214-L216 WeakPolarHBondContact OD1-CG 3.08Å; L216-Y218 PolarHBondContact O-N 3.45Å; L216-I219 HydrophobicContact CB-CB 4.02Å; L216-I219 HydrophobicContact CB-CD1 3.81Å; L216-I219 HydrophobicContact CB-CG1 3.99Å; L216-I219 HydrophobicContact CD1-CD1 3.53Å; L216-I219 HydrophobicContact CG-CD1 4.19Å; L216-I219 PolarHBondContact O-N 2.91Å; L216-D220 PolarHBondContact N-OD2 3.24Å; L216-D220 PolarHBondContact O-N 3.22Å; L216-Q370 HydrophobicContact CD2-CG 4.01Å; L216-L377 HydrophobicContact CD1-CD1 4.01Å | ||
| 217 | P | 83.8 | Confident | 68.7 | Low | 86 Ų | 86 | 110.7 Ų | 110.7 | 56% | 0.558 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -23.4 | -171.5 | -29.7 | 32.6 | 0 | 0 | 0 | 117.4 | A215 | A215-P217 VanDerWaalsContact C-CD 3.5Å; A215-P217 WeakPolarHBondContact O-CD 3.32Å |
| 218 | Y | 85.3 | Confident | 70.9 | Confident | 77 Ų | 77 | 109.9 Ų | 109.9 | 30% | 0.302 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -17.2 | 176.8 | -64.5 | -66.8 | 0 | 0 | 0 | 113.4 | L216 R366 K367 Q370 | L216-Y218 PolarHBondContact O-N 3.45Å; Y218-R366 HydrophobicContact CD2-CG 4.37Å; Y218-R366 HydrophobicContact CE2-CB 4.19Å; Y218-R366 HydrophobicContact CE2-CG 4.08Å; Y218-K367 HydrophobicContact CD1-CB 4.46Å; Y218-K367 HydrophobicContact CD1-CD 4.4Å; Y218-K367 HydrophobicContact CD1-CG 4.22Å; Y218-K367 HydrophobicContact CD2-CB 3.86Å; Y218-K367 HydrophobicContact CD2-CG 4.27Å; Y218-K367 HydrophobicContact CE1-CB 4.48Å; Y218-K367 HydrophobicContact CE2-CB 3.86Å; Y218-K367 HydrophobicContact CG-CB 4.18Å; Y218-K367 HydrophobicContact CG-CG 4.08Å; Y218-Q370 VanDerWaalsContact CB-OE1 3.22Å |
| 219 | I | 84 | Confident | 73.4 | Confident | 43 Ų | 43 | 107.5 Ų | 107.5 | 22% | 0.221 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | -47.5 | 177.1 | -50.6 | 179.6 | 0 | 0 | 0 | 109.7 | L216 Q221 Q370 A374 L377 | L216-I219 HydrophobicContact CB-CB 4.02Å; L216-I219 HydrophobicContact CB-CD1 3.81Å; L216-I219 HydrophobicContact CB-CG1 3.99Å; L216-I219 HydrophobicContact CD1-CD1 3.53Å; L216-I219 HydrophobicContact CG-CD1 4.19Å; L216-I219 PolarHBondContact O-N 2.91Å; I219-Q221 VanDerWaalsContact C-N 3.3Å; I219-Q221 PolarHBondContact O-N 3.29Å; I219-Q370 HydrophobicContact CD1-CB 4.17Å; I219-Q370 WeakPolarHBondContact CD1-O 3.5Å; I219-Q370 HydrophobicContact CG1-CB 4.06Å; I219-A374 HydrophobicContact CD1-CB 3.78Å; I219-A374 HydrophobicContact CG1-CB 3.98Å; I219-A374 HydrophobicContact CG2-CB 4.28Å; I219-L377 HydrophobicContact CD1-CD1 4.25Å |
| 220 | D | 83.1 | Confident | 75.8 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 33% | 0.332 | 56% | 0.563 | S | S | . | * | trans | -74.3 | 79.9 | -176.8 | -59.2 | -31.1 | 0 | 0 | 0 | 110.4 | L216 Y223 | L216-D220 PolarHBondContact N-OD2 3.24Å; L216-D220 PolarHBondContact O-N 3.22Å; D220-Y223 HydrophobicContact CB-CE2 3.71Å; D220-Y223 WeakPolarHBondContact O-CD2 3.17Å; D220-Y223 WeakPolarHBondContact O-CE2 3.48Å | ||
| 221 | Q | 78.9 | Confident | 77.9 | Confident | 171 Ų | 171 | 98.8 Ų | 98.8 | 80% | 0.799 | 54% | 0.538 | S | S | * | . | trans | -91.8 | 131.5 | 173.3 | -61.1 | 177.8 | 21.2 | 0 | 0 | 108.5 | I219 | I219-Q221 VanDerWaalsContact C-N 3.3Å; I219-Q221 PolarHBondContact O-N 3.29Å | ||
| 222 | G | 74.7 | Confident | 79.8 | Confident | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | trans | 132.3 | 9.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D224 M227 | G222-D224 PolarHBondContact O-N 2.94Å; G222-M227 WeakPolarHBondContact O-CE 3.22Å | ||
| 223 | Y | 72.9 | Confident | 81.5 | Confident | 156 Ų | 156 | 92.7 Ų | 92.7 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | trans | -72.3 | 81 | 170.1 | -60.5 | -70.3 | 0 | 0 | 0 | 111 | D220 | D220-Y223 HydrophobicContact CB-CE2 3.71Å; D220-Y223 WeakPolarHBondContact O-CD2 3.17Å; D220-Y223 WeakPolarHBondContact O-CE2 3.48Å | ||
| 224 | D | 78.2 | Confident | 83.1 | Confident | 105 Ų | 105 | 92 Ų | 92 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | trans | -70.8 | 158.3 | 168.6 | -69.2 | -22.8 | 0 | 0 | 0 | 110.5 | G222 N226 M227 R228 | G222-D224 PolarHBondContact O-N 2.94Å; D224-N226 PolarHBondContact O-N 3.48Å; D224-M227 PolarHBondContact O-N 2.9Å; D224-R228 PolarHBondContact O-N 2.96Å; D224-R228 VanDerWaalsContact O-N 3.16Å | ||
| 225 | E | 82.1 | Confident | 84.2 | Confident | 173 Ų | 173 | 91.3 Ų | 91.3 | 81% | 0.808 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -52.7 | -30.2 | 175.7 | -67.7 | -175.9 | 169.3 | 0 | 0 | 112.1 | R228 A229 | E225-R228 PolarHBondContact O-N 3.31Å; E225-A229 WeakPolarHBondContact O-CB 3.33Å; E225-A229 PolarHBondContact O-N 3.48Å |
| 226 | N | 85.5 | Confident | 84.9 | Confident | 130 Ų | 130 | 94.3 Ų | 94.3 | 70% | 0.695 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 176 | -65 | -18.6 | 0 | 0 | 0 | 112.9 | D224 R228 A229 A230 | D224-N226 PolarHBondContact O-N 3.48Å; N226-R228 VanDerWaalsContact C-N 3.31Å; N226-A229 PolarHBondContact O-N 3.25Å; N226-A230 WeakPolarHBondContact O-CB 3.42Å; N226-A230 PolarHBondContact O-N 2.9Å |
| 227 | M | 85.3 | Confident | 85.2 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | 177 | -68.3 | -152.4 | -159.8 | 0 | 0 | 111 | G222 D224 A230 A231 | G222-M227 WeakPolarHBondContact O-CE 3.22Å; D224-M227 PolarHBondContact O-N 2.9Å; M227-A230 PolarHBondContact O-N 2.97Å; M227-A231 WeakPolarHBondContact O-CB 3.4Å; M227-A231 PolarHBondContact O-N 3.4Å |
| 228 | R | 86.3 | Confident | 85.3 | Confident | 167 Ų | 167 | 97.1 Ų | 97.1 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 173.1 | -176.4 | -178 | 177.1 | 123.9 | 2.1 | 111.2 | D224 E225 N226 A231 L232 | D224-R228 PolarHBondContact O-N 2.96Å; D224-R228 VanDerWaalsContact O-N 3.16Å; E225-R228 PolarHBondContact O-N 3.31Å; N226-R228 VanDerWaalsContact C-N 3.31Å; R228-A231 PolarHBondContact O-N 2.88Å; R228-L232 HydrophobicContact CG-CD1 4.14Å; R228-L232 WeakPolarHBondContact O-CB 3.17Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.38Å; R228-L232 PolarHBondContact O-N 3.24Å |
| 229 | A | 89.3 | Confident | 85.2 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E225 N226 L232 A233 | E225-A229 WeakPolarHBondContact O-CB 3.33Å; E225-A229 PolarHBondContact O-N 3.48Å; N226-A229 PolarHBondContact O-N 3.25Å; A229-L232 PolarHBondContact O-N 3.39Å; A229-A233 WeakPolarHBondContact O-CB 3.41Å; A229-A233 PolarHBondContact O-N 3.1Å |
| 230 | A | 90.6 | Very high | 85.2 | Confident | 55 Ų | 55 | 102.7 Ų | 102.7 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N226 M227 L232 A233 L234 | N226-A230 WeakPolarHBondContact O-CB 3.42Å; N226-A230 PolarHBondContact O-N 2.9Å; M227-A230 PolarHBondContact O-N 2.97Å; A230-L232 PolarHBondContact O-N 3.11Å; A230-A233 PolarHBondContact O-N 3.03Å; A230-L234 WeakPolarHBondContact O-CG 3.49Å; A230-L234 PolarHBondContact O-N 3.23Å |
| 231 | A | 89.3 | Confident | 85.3 | Confident | 50 Ų | 50 | 107.5 Ų | 107.5 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M227 R228 L234 I235 | M227-A231 WeakPolarHBondContact O-CB 3.4Å; M227-A231 PolarHBondContact O-N 3.4Å; R228-A231 PolarHBondContact O-N 2.88Å; A231-L234 PolarHBondContact O-N 3.01Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.5Å; A231-I235 PolarHBondContact O-N 3.39Å |
| 232 | L | 91.6 | Very high | 84.9 | Confident | 92 Ų | 92 | 107 Ų | 107 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.8 | -74.2 | 172.4 | 0 | 0 | 0 | 112.2 | R228 A229 A230 I235 E236 | R228-L232 HydrophobicContact CG-CD1 4.14Å; R228-L232 WeakPolarHBondContact O-CB 3.17Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.38Å; R228-L232 PolarHBondContact O-N 3.24Å; A229-L232 PolarHBondContact O-N 3.39Å; A230-L232 PolarHBondContact O-N 3.11Å; L232-I235 PolarHBondContact O-N 3.35Å; L232-E236 WeakPolarHBondContact O-CB 3.28Å; L232-E236 PolarHBondContact O-N 3.17Å |
| 233 | A | 91.5 | Very high | 84.5 | Confident | 47 Ų | 47 | 110 Ų | 110 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A229 A230 I235 E236 E237 | A229-A233 WeakPolarHBondContact O-CB 3.41Å; A229-A233 PolarHBondContact O-N 3.1Å; A230-A233 PolarHBondContact O-N 3.03Å; A233-I235 VanDerWaalsContact C-N 3.35Å; A233-I235 PolarHBondContact O-N 2.78Å; A233-E236 PolarHBondContact O-N 3.35Å; A233-E237 WeakPolarHBondContact O-CG 3.35Å; A233-E237 PolarHBondContact O-N 3.47Å |
| 234 | L | 91.1 | Very high | 84.2 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.4 | -40.6 | 174.9 | -68.3 | 172.7 | 0 | 0 | 0 | 112.1 | A230 A231 E236 E237 E238 | A230-L234 WeakPolarHBondContact O-CG 3.49Å; A230-L234 PolarHBondContact O-N 3.23Å; A231-L234 PolarHBondContact O-N 3.01Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-E237 PolarHBondContact O-N 3.21Å; L234-E238 WeakPolarHBondContact O-CG 3.46Å; L234-E238 PolarHBondContact O-N 3.14Å |
| 235 | I | 88.1 | Confident | 83.3 | Confident | 97 Ų | 97 | 107.9 Ų | 107.9 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -41.8 | 174.6 | -68.3 | 163.4 | 0 | 0 | 0 | 110.5 | A231 L232 A233 E238 C239 | A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.5Å; A231-I235 PolarHBondContact O-N 3.39Å; L232-I235 PolarHBondContact O-N 3.35Å; A233-I235 VanDerWaalsContact C-N 3.35Å; A233-I235 PolarHBondContact O-N 2.78Å; I235-E238 PolarHBondContact O-N 3.17Å; I235-C239 WeakPolarHBondContact O-CB 3.22Å; I235-C239 PolarHBondContact O-N 3.43Å; I235-C239 PolarHBondContact O-SG 2.98Å |
| 236 | E | 88.6 | Confident | 82.3 | Confident | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.8 | -41.4 | 178.8 | -169.6 | 173.1 | -176 | 0 | 0 | 111.7 | L232 A233 L234 E238 C239 Q240 | L232-E236 WeakPolarHBondContact O-CB 3.28Å; L232-E236 PolarHBondContact O-N 3.17Å; A233-E236 PolarHBondContact O-N 3.35Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-E238 VanDerWaalsContact C-N 3.34Å; E236-E238 PolarHBondContact O-N 3.22Å; E236-C239 PolarHBondContact O-N 2.93Å; E236-Q240 VanDerWaalsContact O-CG 3.32Å; E236-Q240 WeakPolarHBondContact O-CG 3.46Å; E236-Q240 PolarHBondContact O-N 3.19Å |
| 237 | E | 90.2 | Very high | 81.3 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.6 | -43 | 172.5 | -72.8 | -178.8 | -172.3 | 0 | 0 | 111.9 | A233 L234 Q240 R241 | A233-E237 WeakPolarHBondContact O-CG 3.35Å; A233-E237 PolarHBondContact O-N 3.47Å; L234-E237 PolarHBondContact O-N 3.21Å; E237-Q240 PolarHBondContact O-N 2.94Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 3.25Å; E237-R241 VanDerWaalsContact O-N 3.17Å |
| 238 | E | 85.6 | Confident | 80.4 | Confident | 78 Ų | 78 | 109.4 Ų | 109.4 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.3 | -40 | 175.9 | -73 | -60.4 | 137.3 | 0 | 0 | 112.3 | L234 I235 E236 Q240 R241 Y242 | L234-E238 WeakPolarHBondContact O-CG 3.46Å; L234-E238 PolarHBondContact O-N 3.14Å; I235-E238 PolarHBondContact O-N 3.17Å; E236-E238 VanDerWaalsContact C-N 3.34Å; E236-E238 PolarHBondContact O-N 3.22Å; E238-Q240 PolarHBondContact O-N 3.49Å; E238-R241 PolarHBondContact O-N 2.84Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-R241 IonicContact OE1-CZ 3.48Å; E238-R241 IonicContact OE1-NE 3.85Å; E238-R241 IonicContact OE1-NH1 2.7Å; E238-R241 PolarHBondContact OE1-NH1 3.27Å; E238-Y242 PolarHBondContact O-N 2.92Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.19Å |
| 239 | C | 83.4 | Confident | 79.4 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 61% | 0.608 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -26.4 | 174 | -74.1 | 0 | 0 | 0 | 0 | 112.9 | I235 E236 | I235-C239 WeakPolarHBondContact O-CB 3.22Å; I235-C239 PolarHBondContact O-N 3.43Å; I235-C239 PolarHBondContact O-SG 2.98Å; E236-C239 PolarHBondContact O-N 2.93Å |
| 240 | Q | 84.1 | Confident | 78.3 | Confident | 147 Ų | 147 | 111.6 Ų | 111.6 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.9 | -33.2 | 173 | -71.6 | 174.5 | 20.5 | 0 | 0 | 112.4 | E236 E237 E238 | E236-Q240 VanDerWaalsContact O-CG 3.32Å; E236-Q240 WeakPolarHBondContact O-CG 3.46Å; E236-Q240 PolarHBondContact O-N 3.19Å; E237-Q240 PolarHBondContact O-N 2.94Å; E238-Q240 PolarHBondContact O-N 3.49Å |
| 241 | R | 85 | Confident | 77.3 | Confident | 162 Ų | 162 | 115.7 Ų | 115.7 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.9 | -38.1 | 179.7 | -71.9 | 171.3 | -173.6 | -177.2 | 0.9 | 112.6 | E237 E238 | E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 3.25Å; E237-R241 VanDerWaalsContact O-N 3.17Å; E238-R241 PolarHBondContact O-N 2.84Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-R241 IonicContact OE1-CZ 3.48Å; E238-R241 IonicContact OE1-NE 3.85Å; E238-R241 IonicContact OE1-NH1 2.7Å; E238-R241 PolarHBondContact OE1-NH1 3.27Å |
| 242 | Y | 70.2 | Confident | 76.2 | Confident | 162 Ų | 162 | 118 Ų | 118 | 64% | 0.635 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -109.5 | 119.7 | -176.2 | -62.9 | -73.6 | 0 | 0 | 0 | 111.6 | E238 | E238-Y242 PolarHBondContact O-N 2.92Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.19Å |
| 243 | P | 66.1 | Low | 75.1 | Confident | 102 Ų | 102 | 118.8 Ų | 118.8 | 66% | 0.662 | 60% | 0.597 | S | S | * | * | trans | -59.1 | 141.6 | 167.3 | 25.1 | -31.4 | 0 | 0 | 0 | 108.8 | S245 | P243-S245 VanDerWaalsContact C-N 3.31Å; P243-S245 PolarHBondContact O-N 3.48Å | ||
| 244 | P | 66.8 | Low | 73.9 | Confident | 124 Ų | 124 | 122 Ų | 122 | 81% | 0.805 | 62% | 0.616 | S | S | * | * | trans | -63.3 | 90.3 | -177.1 | 24.3 | -32.9 | 0 | 0 | 0 | 110.3 | ||||
| 245 | S | 58.2 | Low | 72.7 | Confident | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | trans | -88.6 | -13.7 | -169.2 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | P243 | P243-S245 VanDerWaalsContact C-N 3.31Å; P243-S245 PolarHBondContact O-N 3.48Å | ||
| 246 | K | 61.3 | Low | 71.8 | Confident | 178 Ų | 178 | 121.1 Ų | 121.1 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | trans | -119.9 | 98.4 | 175.1 | -65.1 | -179.1 | -178.7 | -179.2 | 0 | 108.5 | Y248 | K246-Y248 VanDerWaalsContact C-N 3.26Å; K246-Y248 PolarHBondContact O-N 3.34Å | ||
| 247 | N | 64.1 | Low | 70.9 | Confident | 90 Ų | 90 | 122.2 Ų | 122.2 | 48% | 0.481 | 63% | 0.632 | S | S | . | * | trans | -61.1 | 98.4 | 160.8 | -99.8 | -10.1 | 0 | 0 | 0 | 106.6 | L249 R250 | N247-L249 PolarHBondContact O-N 3.42Å; N247-R250 HydrophobicContact CB-CG 3.77Å; N247-R250 WeakPolarHBondContact O-CB 3.35Å; N247-R250 PolarHBondContact O-N 2.88Å | ||
| 248 | Y | 67.5 | Low | 69.9 | Low | 179 Ų | 179 | 122.4 Ų | 122.4 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -12.1 | 170.2 | 59.8 | -91.7 | 0 | 0 | 0 | 112.4 | K246 | K246-Y248 VanDerWaalsContact C-N 3.26Å; K246-Y248 PolarHBondContact O-N 3.34Å |
| 249 | L | 65.6 | Low | 69.3 | Low | 83 Ų | 83 | 124.5 Ų | 124.5 | 44% | 0.435 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | -9.7 | 175 | -59.5 | 171.1 | 0 | 0 | 0 | 114.1 | N247 D251 M252 | N247-L249 PolarHBondContact O-N 3.42Å; L249-D251 VanDerWaalsContact C-N 3.31Å; L249-D251 PolarHBondContact O-N 3.38Å; L249-M252 HydrophobicContact CD2-CE 3.38Å; L249-M252 PolarHBondContact O-N 3.39Å |
| 250 | R | 66.6 | Low | 68.8 | Low | 189 Ų | 189 | 128.5 Ų | 128.5 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -34.6 | -178.7 | -78.8 | 178.7 | -176.9 | -179.3 | 3.8 | 112.7 | N247 M252 | N247-R250 HydrophobicContact CB-CG 3.77Å; N247-R250 WeakPolarHBondContact O-CB 3.35Å; N247-R250 PolarHBondContact O-N 2.88Å; R250-M252 VanDerWaalsContact C-N 3.33Å |
| 251 | D | 69.4 | Low | 68.4 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -6.8 | -176.6 | -53.6 | -36.2 | 0 | 0 | 0 | 112.2 | L249 | L249-D251 VanDerWaalsContact C-N 3.31Å; L249-D251 PolarHBondContact O-N 3.38Å |
| 252 | M | 65.7 | Low | 68.4 | Low | 100 Ų | 100 | 118.9 Ų | 118.9 | 49% | 0.493 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -82.6 | 131.5 | 172.3 | -76.6 | -149 | -79.8 | 0 | 0 | 110.1 | L249 R250 S254 | L249-M252 HydrophobicContact CD2-CE 3.38Å; L249-M252 PolarHBondContact O-N 3.39Å; R250-M252 VanDerWaalsContact C-N 3.33Å; M252-S254 PolarHBondContact O-N 3.25Å |
| 253 | P | 67.8 | Low | 69.1 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | trans | -57.7 | 129.8 | 171.7 | 24.6 | -31.9 | 0 | 0 | 0 | 108.4 | T255 | P253-T255 PolarHBondContact O-N 2.88Š| ||
| 254 | S | 65.8 | Low | 70 | Confident | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 62% | 0.622 | S | S | * | * | trans | -56.6 | 115.9 | 174.9 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | M252 S256 | M252-S254 PolarHBondContact O-N 3.25Å; S254-S256 PolarHBondContact O-N 2.92Å | ||
| 255 | T | 67.6 | Low | 70.9 | Confident | 123 Ų | 123 | 113.9 Ų | 113.9 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | trans | -62.8 | 105.7 | 173 | 22.4 | 0 | 0 | 0 | 0 | 107.6 | P253 L257 | P253-T255 PolarHBondContact O-N 2.88Å; T255-L257 VanDerWaalsContact C-N 3.31Å; T255-L257 PolarHBondContact O-N 3.46Å | ||
| 256 | S | 68.3 | Low | 72.1 | Confident | 66 Ų | 66 | 115.1 Ų | 115.1 | 46% | 0.462 | 60% | 0.595 | S | S | . | * | trans | -66.7 | 95.8 | 169.4 | 43.4 | 0 | 0 | 0 | 0 | 108 | S254 D258 I259 | S254-S256 PolarHBondContact O-N 2.92Å; S256-D258 PolarHBondContact O-N 3.33Å; S256-I259 WeakPolarHBondContact O-CG1 3.33Å; S256-I259 PolarHBondContact O-N 2.68Å; S256-I259 WeakPolarHBondContact OG-CD1 3.2Å; S256-I259 VanDerWaalsContact OG-CG1 3.3Å; S256-I259 WeakPolarHBondContact OG-CG1 3.45Å | ||
| 257 | L | 69.2 | Low | 73.3 | Confident | 144 Ų | 144 | 111.3 Ų | 111.3 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -57.9 | -17.2 | 172.4 | -63.2 | 171.4 | 0 | 0 | 0 | 111.4 | T255 I259 | T255-L257 VanDerWaalsContact C-N 3.31Å; T255-L257 PolarHBondContact O-N 3.46Å; L257-I259 PolarHBondContact O-N 3.21Å |
| 258 | D | 70.3 | Confident | 74.2 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -77.5 | -12.5 | -176.2 | -63.2 | 2.7 | 0 | 0 | 0 | 114.9 | S256 F260 L261 | S256-D258 PolarHBondContact O-N 3.33Å; D258-F260 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact O-N 3.1Å; D258-L261 HydrophobicContact CB-CD1 3.91Å; D258-L261 PolarHBondContact O-N 2.84Å; D258-L261 WeakPolarHBondContact OD1-CD1 3.32Å |
| 259 | I | 73.4 | Confident | 75 | Confident | 123 Ų | 123 | 107.3 Ų | 107.3 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -57.7 | -30 | -179.6 | -64 | 165.6 | 0 | 0 | 0 | 111.3 | S256 L257 | S256-I259 WeakPolarHBondContact O-CG1 3.33Å; S256-I259 PolarHBondContact O-N 2.68Å; S256-I259 WeakPolarHBondContact OG-CD1 3.2Å; S256-I259 VanDerWaalsContact OG-CG1 3.3Å; S256-I259 WeakPolarHBondContact OG-CG1 3.45Å; L257-I259 PolarHBondContact O-N 3.21Å |
| 260 | F | 72.3 | Confident | 76.1 | Confident | 173 Ų | 173 | 108.5 Ų | 108.5 | 76% | 0.759 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -104.1 | 4.3 | -178.3 | -56.9 | -73.4 | 0 | 0 | 0 | 113.9 | D258 T262 | D258-F260 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact O-N 3.1Å; F260-T262 PolarHBondContact O-N 2.81Å |
| 261 | L | 75.3 | Confident | 77.2 | Confident | 37 Ų | 37 | 101.9 Ų | 101.9 | 19% | 0.194 | 55% | 0.548 | C | S | . | . | trans | -74.5 | 98.2 | 178.1 | -73 | 175.6 | 0 | 0 | 0 | 110.2 | D258 L265 M269 | D258-L261 HydrophobicContact CB-CD1 3.91Å; D258-L261 PolarHBondContact O-N 2.84Å; D258-L261 WeakPolarHBondContact OD1-CD1 3.32Å; L261-L265 HydrophobicContact CD2-CB 3.93Å; L261-M269 HydrophobicContact CD1-SD 4.47Å; L261-M269 HydrophobicContact CD2-SD 3.5Å; L261-M269 VanDerWaalsContact CD2-SD 3.5Å | ||
| 262 | T | 84.1 | Confident | 78 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 43% | 0.429 | 54% | 0.54 | S | S | . | . | trans | -63.7 | 155.5 | 164 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | F260 V264 L265 R266 | F260-T262 PolarHBondContact O-N 2.81Å; T262-V264 PolarHBondContact O-N 2.97Å; T262-V264 VanDerWaalsContact O-N 3.1Å; T262-L265 WeakPolarHBondContact O-CA 3.24Å; T262-L265 WeakPolarHBondContact O-CB 3.37Å; T262-L265 PolarHBondContact O-N 2.7Å; T262-L265 PolarHBondContact OG1-N 3.25Å; T262-R266 PolarHBondContact O-N 3.5Å | ||
| 263 | P | 85.7 | Confident | 79.1 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -52.8 | -34.8 | 176.3 | -26.7 | 34.1 | 0 | 0 | 0 | 112.8 | R266 N267 | P263-R266 PolarHBondContact O-N 3.37Å; P263-N267 VanDerWaalsContact O-CG 3.32Å; P263-N267 PolarHBondContact O-N 2.95Å; P263-N267 VanDerWaalsContact O-N 3.16Å; P263-N267 PolarHBondContact O-OD1 2.84Å |
| 264 | V | 85.7 | Confident | 80.1 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -47.7 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | T262 R266 N267 E268 | T262-V264 PolarHBondContact O-N 2.97Å; T262-V264 VanDerWaalsContact O-N 3.1Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 2.98Å; V264-N267 PolarHBondContact O-N 3.46Å; V264-E268 HydrophobicContact CG1-CG 4.43Å; V264-E268 WeakPolarHBondContact O-CG 3.49Å; V264-E268 PolarHBondContact O-N 3.18Å |
| 265 | L | 84.4 | Confident | 81 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.2 | -101.1 | 152.7 | 0 | 0 | 0 | 112.4 | L261 T262 E268 M269 | L261-L265 HydrophobicContact CD2-CB 3.93Å; T262-L265 WeakPolarHBondContact O-CA 3.24Å; T262-L265 WeakPolarHBondContact O-CB 3.37Å; T262-L265 PolarHBondContact O-N 2.7Å; T262-L265 PolarHBondContact OG1-N 3.25Å; L265-E268 PolarHBondContact O-N 2.98Å; L265-M269 WeakPolarHBondContact O-CG 3.4Å; L265-M269 PolarHBondContact O-N 3.3Å |
| 266 | R | 84.7 | Confident | 81.8 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 45% | 0.445 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 174.9 | -170.1 | -178.3 | -62.3 | -92.6 | -4 | 111.2 | T262 P263 V264 E268 M269 E270 | T262-R266 PolarHBondContact O-N 3.5Å; P263-R266 PolarHBondContact O-N 3.37Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 2.98Å; R266-E268 VanDerWaalsContact C-N 3.28Å; R266-E268 PolarHBondContact O-N 3.46Å; R266-M269 PolarHBondContact O-N 3.39Å; R266-E270 WeakPolarHBondContact O-CG 3.07Å; R266-E270 PolarHBondContact O-N 3.05Å |
| 267 | N | 85.7 | Confident | 82.3 | Confident | 99 Ų | 99 | 104 Ų | 104 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 177.1 | -67 | -1.6 | 0 | 0 | 0 | 112.3 | P263 V264 R271 | P263-N267 VanDerWaalsContact O-CG 3.32Å; P263-N267 PolarHBondContact O-N 2.95Å; P263-N267 VanDerWaalsContact O-N 3.16Å; P263-N267 PolarHBondContact O-OD1 2.84Å; V264-N267 PolarHBondContact O-N 3.46Å; N267-R271 WeakPolarHBondContact O-CB 3.49Å; N267-R271 PolarHBondContact O-N 2.92Å |
| 268 | E | 83.4 | Confident | 82.9 | Confident | 73 Ų | 73 | 103.5 Ų | 103.5 | 34% | 0.341 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 176.1 | -71 | -73.1 | 128.6 | 0 | 0 | 112.1 | V264 L265 R266 R271 V272 | V264-E268 HydrophobicContact CG1-CG 4.43Å; V264-E268 WeakPolarHBondContact O-CG 3.49Å; V264-E268 PolarHBondContact O-N 3.18Å; L265-E268 PolarHBondContact O-N 2.98Å; R266-E268 VanDerWaalsContact C-N 3.28Å; R266-E268 PolarHBondContact O-N 3.46Å; E268-R271 WeakPolarHBondContact O-CB 3.39Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-R271 IonicContact OE1-CZ 2.64Å; E268-R271 IonicContact OE1-NH1 2.74Å; E268-R271 PolarHBondContact OE1-NH1 2.85Å; E268-R271 IonicContact OE2-CZ 3.49Å; E268-R271 IonicContact OE2-NH1 3.34Å; E268-R271 PolarHBondContact OE2-NH1 3.46Å; E268-R271 IonicContact OE2-NH2 2.79Å; E268-R271 PolarHBondContact OE2-NH2 2.84Å; E268-V272 VanDerWaalsContact O-CG2 3.28Å; E268-V272 WeakPolarHBondContact O-CG2 3.41Å; E268-V272 PolarHBondContact O-N 3.42Å |
| 269 | M | 84.5 | Confident | 83.3 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.5 | -43.2 | 175.6 | -70.8 | -170.7 | 81.5 | 0 | 0 | 111.5 | L261 L265 R266 R271 V272 E273 | L261-M269 HydrophobicContact CD1-SD 4.47Å; L261-M269 HydrophobicContact CD2-SD 3.5Å; L261-M269 VanDerWaalsContact CD2-SD 3.5Å; L265-M269 WeakPolarHBondContact O-CG 3.4Å; L265-M269 PolarHBondContact O-N 3.3Å; R266-M269 PolarHBondContact O-N 3.39Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 2.7Å; M269-V272 PolarHBondContact O-N 3.4Å; M269-V272 VanDerWaalsContact O-N 3.15Å; M269-E273 WeakPolarHBondContact O-CB 3.33Å; M269-E273 PolarHBondContact O-N 3.26Å |
| 270 | E | 87.7 | Confident | 83.7 | Confident | 108 Ų | 108 | 109.4 Ų | 109.4 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -38.8 | 172.9 | -72 | 174.4 | -168.3 | 0 | 0 | 111.9 | R266 S274 | R266-E270 WeakPolarHBondContact O-CG 3.07Å; R266-E270 PolarHBondContact O-N 3.05Å; E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 3.07Å; E270-S274 PolarHBondContact O-OG 3.35Å |
| 271 | R | 90.2 | Very high | 83.9 | Confident | 51 Ų | 51 | 108.1 Ų | 108.1 | 19% | 0.192 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -63.9 | -42.1 | 174.3 | -169.2 | -163.5 | 68.8 | -134.6 | -15.5 | 111.8 | N267 E268 M269 S274 G275 R276 | N267-R271 WeakPolarHBondContact O-CB 3.49Å; N267-R271 PolarHBondContact O-N 2.92Å; E268-R271 WeakPolarHBondContact O-CB 3.39Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-R271 IonicContact OE1-CZ 2.64Å; E268-R271 IonicContact OE1-NH1 2.74Å; E268-R271 PolarHBondContact OE1-NH1 2.85Å; E268-R271 IonicContact OE2-CZ 3.49Å; E268-R271 IonicContact OE2-NH1 3.34Å; E268-R271 PolarHBondContact OE2-NH1 3.46Å; E268-R271 IonicContact OE2-NH2 2.79Å; E268-R271 PolarHBondContact OE2-NH2 2.84Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 2.7Å; R271-S274 WeakPolarHBondContact CA-OG 3.42Å; R271-S274 PolarHBondContact O-OG 2.78Å; R271-G275 PolarHBondContact O-N 2.79Å; R271-R276 HydrophobicContact CG-CB 3.74Å; R271-R276 PolarHBondContact O-N 3.34Å |
| 272 | V | 86.5 | Confident | 83.7 | Confident | 99 Ų | 99 | 111.8 Ų | 111.8 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.6 | -42.2 | 179.1 | 170.2 | 0 | 0 | 0 | 0 | 111 | E268 M269 S274 G275 | E268-V272 VanDerWaalsContact O-CG2 3.28Å; E268-V272 WeakPolarHBondContact O-CG2 3.41Å; E268-V272 PolarHBondContact O-N 3.42Å; M269-V272 PolarHBondContact O-N 3.4Å; M269-V272 VanDerWaalsContact O-N 3.15Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.28Å; V272-G275 WeakPolarHBondContact O-CA 2.8Å; V272-G275 PolarHBondContact O-N 3.05Å |
| 273 | E | 88.1 | Confident | 83.3 | Confident | 173 Ų | 173 | 113.5 Ų | 113.5 | 81% | 0.808 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.9 | -38.8 | 176.4 | -171.3 | 172 | -164.9 | 0 | 0 | 111.8 | M269 G275 | M269-E273 WeakPolarHBondContact O-CB 3.33Å; M269-E273 PolarHBondContact O-N 3.26Å; E273-G275 PolarHBondContact O-N 3.33Å |
| 274 | S | 88.5 | Confident | 82.4 | Confident | 65 Ų | 65 | 115.5 Ų | 115.5 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | 1 | 172.2 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | E270 R271 V272 R276 | E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 3.07Å; E270-S274 PolarHBondContact O-OG 3.35Å; R271-S274 WeakPolarHBondContact CA-OG 3.42Å; R271-S274 PolarHBondContact O-OG 2.78Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.28Å; S274-R276 PolarHBondContact O-N 3.41Å |
| 275 | G | 85.6 | Confident | 81.6 | Confident | 62 Ų | 62 | 116.9 Ų | 116.9 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.7 | 17.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R271 V272 E273 | R271-G275 PolarHBondContact O-N 2.79Å; V272-G275 WeakPolarHBondContact O-CA 2.8Å; V272-G275 PolarHBondContact O-N 3.05Å; E273-G275 PolarHBondContact O-N 3.33Å |
| 276 | R | 83.5 | Confident | 81 | Confident | 178 Ų | 178 | 120.5 Ų | 120.5 | 67% | 0.672 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 127.2 | -178.1 | -67.9 | 178.8 | -176.4 | 173.8 | 3.4 | 110.2 | R271 S274 | R271-R276 HydrophobicContact CG-CB 3.74Å; R271-R276 PolarHBondContact O-N 3.34Å; S274-R276 PolarHBondContact O-N 3.41Å |
| 277 | P | 79.6 | Confident | 80.7 | Confident | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 148.2 | 175.7 | 26.5 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 278 | M | 81.5 | Confident | 80.4 | Confident | 132 Ų | 132 | 121.1 Ų | 121.1 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.2 | 179.6 | -175.1 | 179.7 | -73.8 | 0 | 0 | 110.9 | L280 | M278-L280 PolarHBondContact O-N 3.14Š|
| 279 | E | 79.3 | Confident | 80.2 | Confident | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 128.9 | 171.8 | -67.3 | -175.9 | 177.5 | 0 | 0 | 109.9 | L281 | E279-L281 PolarHBondContact O-N 2.79Š|
| 280 | L | 81.6 | Confident | 80.1 | Confident | 170 Ų | 170 | 118.2 Ų | 118.2 | 89% | 0.89 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 129.9 | 177.4 | -68.3 | 168.6 | 0 | 0 | 0 | 109.4 | M278 N282 | M278-L280 PolarHBondContact O-N 3.14Å; L280-N282 PolarHBondContact O-N 3.47Å; L280-N282 VanDerWaalsContact O-N 3.15Å |
| 281 | L | 76.7 | Confident | 80 | Confident | 145 Ų | 145 | 113.7 Ų | 113.7 | 76% | 0.759 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 121.1 | 174.2 | -69.8 | 171.4 | 0 | 0 | 0 | 110.1 | E279 M283 | E279-L281 PolarHBondContact O-N 2.79Å; L281-M283 HydrophobicContact CB-CE 3.75Å; L281-M283 HydrophobicContact CD1-CE 4.25Å; L281-M283 PolarHBondContact O-N 3.43Å |
| 282 | N | 69.8 | Low | 79.7 | Confident | 115 Ų | 115 | 115.1 Ų | 115.1 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -73.9 | 99.8 | -179.1 | -169.7 | 1.7 | 0 | 0 | 0 | 110.6 | L280 K284 | L280-N282 PolarHBondContact O-N 3.47Å; L280-N282 VanDerWaalsContact O-N 3.15Å; N282-K284 PolarHBondContact O-N 3.2Å; N282-K284 WeakPolarHBondContact OD1-CB 3.27Å; N282-K284 VanDerWaalsContact OD1-CG 3.25Å; N282-K284 WeakPolarHBondContact OD1-CG 3.3Å; N282-K284 PolarHBondContact OD1-N 2.96Å | ||
| 283 | M | 75.7 | Confident | 79.6 | Confident | 105 Ų | 105 | 114.6 Ų | 114.6 | 52% | 0.517 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -76.2 | -9.6 | 178.6 | -59.9 | -59 | 172 | 0 | 0 | 113.3 | L281 R285 Y286 | L281-M283 HydrophobicContact CB-CE 3.75Å; L281-M283 HydrophobicContact CD1-CE 4.25Å; L281-M283 PolarHBondContact O-N 3.43Å; M283-R285 PolarHBondContact O-N 3.31Å; M283-R285 VanDerWaalsContact O-N 3.11Å; M283-Y286 PolarHBondContact O-N 2.83Å; M283-Y286 HydrophobicContact SD-CD2 4.33Å; M283-Y286 HydrophobicContact SD-CE2 4.31Å |
| 284 | K | 67.7 | Low | 79.5 | Confident | 143 Ų | 143 | 110.9 Ų | 110.9 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -61.4 | -22.4 | -178.1 | -63.5 | 179.1 | 179.3 | 179.3 | 0 | 113.1 | N282 Y286 E287 | N282-K284 PolarHBondContact O-N 3.2Å; N282-K284 WeakPolarHBondContact OD1-CB 3.27Å; N282-K284 VanDerWaalsContact OD1-CG 3.25Å; N282-K284 WeakPolarHBondContact OD1-CG 3.3Å; N282-K284 PolarHBondContact OD1-N 2.96Å; K284-Y286 PolarHBondContact O-N 3.17Å; K284-E287 PolarHBondContact O-N 3.01Å; K284-E287 VanDerWaalsContact O-N 3.17Å |
| 285 | R | 68.5 | Low | 79.3 | Confident | 130 Ų | 130 | 113 Ų | 113 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -60.5 | -32.4 | 175.1 | -176.3 | 179.7 | -179.6 | 172.1 | 6.4 | 112.9 | M283 E287 H315 | M283-R285 PolarHBondContact O-N 3.31Å; M283-R285 VanDerWaalsContact O-N 3.11Å; R285-E287 VanDerWaalsContact C-N 3.31Å; R285-H315 PolarHBondContact NH2-CE1 3.29Å; R285-H315 VanDerWaalsContact NH2-CE1 3.33Å; R285-H315 PolarHBondContact NH2-NE2 3.36Å |
| 286 | Y | 71.6 | Confident | 79 | Confident | 158 Ų | 158 | 115.8 Ų | 115.8 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -88 | -6.8 | -179.5 | -57 | -65.8 | 0 | 0 | 0 | 112.9 | M283 K284 | M283-Y286 PolarHBondContact O-N 2.83Å; M283-Y286 HydrophobicContact SD-CD2 4.33Å; M283-Y286 HydrophobicContact SD-CE2 4.31Å; K284-Y286 PolarHBondContact O-N 3.17Å |
| 287 | E | 79.5 | Confident | 79.1 | Confident | 113 Ų | 113 | 112.8 Ų | 112.8 | 53% | 0.528 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -95.3 | 150.5 | 174.8 | -61.5 | 179.9 | 172.3 | 0 | 0 | 108.7 | K284 R285 P289 N308 | K284-E287 PolarHBondContact O-N 3.01Å; K284-E287 VanDerWaalsContact O-N 3.17Å; R285-E287 VanDerWaalsContact C-N 3.31Å; E287-P289 WeakPolarHBondContact O-CD 3.48Å; E287-N308 PolarHBondContact O-ND2 3.17Å; E287-N308 VanDerWaalsContact O-ND2 3.08Å |
| 288 | L | 78.5 | Confident | 79.6 | Confident | 118 Ų | 118 | 109.9 Ų | 109.9 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | trans | -105.7 | 64.8 | 170.2 | -73.4 | 159.2 | 0 | 0 | 0 | 108.8 | G290 Q312 | L288-G290 PolarHBondContact O-N 3.34Å; L288-Q312 HydrophobicContact CD1-CG 4.46Å; L288-Q312 HydrophobicContact CD2-CB 4.14Å; L288-Q312 HydrophobicContact CD2-CG 4.2Å; L288-Q312 HydrophobicContact CG-CG 4.34Å | ||
| 289 | P | 80.4 | Confident | 80 | Confident | 67 Ų | 67 | 109.3 Ų | 109.3 | 44% | 0.435 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 135.3 | 176.5 | 31 | -33.7 | 0 | 0 | 0 | 109 | E287 | E287-P289 WeakPolarHBondContact O-CD 3.48Š|
| 290 | G | 82.5 | Confident | 80.6 | Confident | 55 Ų | 55 | 104.4 Ų | 104.4 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66 | 167 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L288 | L288-G290 PolarHBondContact O-N 3.34Š|
| 291 | P | 84.4 | Confident | 80.9 | Confident | 14 Ų | 14 | 96.7 Ų | 96.7 | 9% | 0.091 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -57 | 143.6 | 174.1 | 23.9 | -32.2 | 0 | 0 | 0 | 110.4 | S301 W302 | P291-S301 WeakPolarHBondContact CB-OG 3.46Å; P291-W302 HydrophobicContact CG-CD2 3.71Å; P291-W302 HydrophobicContact CG-CE3 3.97Å; P291-W302 HydrophobicContact CG-CG 4.32Å; P291-W302 HydrophobicContact CG-CH2 3.88Å; P291-W302 HydrophobicContact CG-CZ2 3.61Å; P291-W302 HydrophobicContact CG-CZ3 4.05Å |
| 292 | P | 84.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 96 Ų | 96 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 145.4 | 178.1 | -23.1 | 31 | 0 | 0 | 0 | 111.2 | A294 K295 Q296 | P292-A294 PolarHBondContact O-N 3.28Å; P292-K295 PolarHBondContact O-N 3.49Å; P292-Q296 PolarHBondContact O-N 2.86Å |
| 293 | A | 84.6 | Confident | 82.6 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 72% | 0.719 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -52 | -32.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K295 | A293-K295 VanDerWaalsContact C-N 3.34Å; A293-K295 PolarHBondContact O-N 3.19Å |
| 294 | A | 84.7 | Confident | 83.2 | Confident | 96 Ų | 96 | 98 Ų | 98 | 79% | 0.793 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -73.5 | -18.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P292 | P292-A294 PolarHBondContact O-N 3.28Š|
| 295 | K | 83.9 | Confident | 84.2 | Confident | 109 Ų | 109 | 92.3 Ų | 92.3 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -114.2 | 13.7 | -174.9 | -64.7 | -167.1 | 177.1 | -168.3 | 0 | 113.4 | P292 A293 S297 D298 S301 | P292-K295 PolarHBondContact O-N 3.49Å; A293-K295 VanDerWaalsContact C-N 3.34Å; A293-K295 PolarHBondContact O-N 3.19Å; K295-S297 PolarHBondContact O-N 3.26Å; K295-S297 VanDerWaalsContact O-N 3.14Å; K295-D298 HydrophobicContact CB-CB 4.37Å; K295-D298 WeakPolarHBondContact O-CB 3.49Å; K295-D298 PolarHBondContact O-N 3.24Å; K295-S301 PolarHBondContact O-OG 3.2Å |
| 296 | Q | 80.6 | Confident | 85.2 | Confident | 120 Ų | 120 | 89.4 Ų | 89.4 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.9 | -177.1 | -70.7 | -177.2 | -6.6 | 0 | 0 | 114.1 | P292 W302 | P292-Q296 PolarHBondContact O-N 2.86Å; Q296-W302 PolarHBondContact O-NE1 3.32Å |
| 297 | S | 85.2 | Confident | 86.1 | Confident | 116 Ų | 116 | 84.4 Ų | 84.4 | 81% | 0.811 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13 | 174 | 52.3 | 0 | 0 | 0 | 0 | 114 | K295 | K295-S297 PolarHBondContact O-N 3.26Å; K295-S297 VanDerWaalsContact O-N 3.14Å |
| 298 | D | 90 | Very high | 86.5 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | trans | -89.2 | 115.1 | -174.6 | -179.3 | 8 | 0 | 0 | 0 | 110.7 | K295 T300 S301 | K295-D298 HydrophobicContact CB-CB 4.37Å; K295-D298 WeakPolarHBondContact O-CB 3.49Å; K295-D298 PolarHBondContact O-N 3.24Å; D298-T300 PolarHBondContact O-N 2.91Å; D298-T300 PolarHBondContact OD1-N 3.04Å; D298-T300 VanDerWaalsContact OD1-N 3.08Å; D298-T300 PolarHBondContact OD1-OG1 2.88Å; D298-T300 PolarHBondContact OD2-OG1 2.93Å; D298-S301 PolarHBondContact O-N 3.05Å; D298-S301 PolarHBondContact O-OG 3.29Å | ||
| 299 | I | 91 | Very high | 87 | Confident | 121 Ų | 121 | 77.4 Ų | 77.4 | 62% | 0.621 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.8 | -34.5 | -179.3 | -61 | 169.8 | 0 | 0 | 0 | 111.2 | S301 W302 Q303 | I299-S301 PolarHBondContact O-N 3.05Å; I299-W302 PolarHBondContact O-N 3.16Å; I299-Q303 HydrophobicContact CG2-CG 4.44Å; I299-Q303 WeakPolarHBondContact O-CG 3.38Å; I299-Q303 PolarHBondContact O-N 3.01Å |
| 300 | T | 91.5 | Very high | 87.5 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | -177.7 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | D298 W302 Q303 E304 | D298-T300 PolarHBondContact O-N 2.91Å; D298-T300 PolarHBondContact OD1-N 3.04Å; D298-T300 VanDerWaalsContact OD1-N 3.08Å; D298-T300 PolarHBondContact OD1-OG1 2.88Å; D298-T300 PolarHBondContact OD2-OG1 2.93Å; T300-W302 VanDerWaalsContact C-N 3.28Å; T300-W302 PolarHBondContact O-N 2.78Å; T300-Q303 WeakPolarHBondContact O-CB 3.46Å; T300-Q303 PolarHBondContact O-N 3.31Å; T300-Q303 VanDerWaalsContact O-N 3.12Å; T300-E304 PolarHBondContact O-N 3.12Å |
| 301 | S | 88.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 81 Ų | 81 | 5% | 0.049 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.3 | -31.8 | 177.1 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | P291 K295 D298 I299 A305 | P291-S301 WeakPolarHBondContact CB-OG 3.46Å; K295-S301 PolarHBondContact O-OG 3.2Å; D298-S301 PolarHBondContact O-N 3.05Å; D298-S301 PolarHBondContact O-OG 3.29Å; I299-S301 PolarHBondContact O-N 3.05Å; S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 2.97Å |
| 302 | W | 89.2 | Confident | 88.1 | Confident | 130 Ų | 130 | 81.5 Ų | 81.5 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72 | -39.4 | 172.4 | -77.3 | 103.9 | 0 | 0 | 0 | 112.1 | P291 Q296 I299 T300 E304 A305 V306 | P291-W302 HydrophobicContact CG-CD2 3.71Å; P291-W302 HydrophobicContact CG-CE3 3.97Å; P291-W302 HydrophobicContact CG-CG 4.32Å; P291-W302 HydrophobicContact CG-CH2 3.88Å; P291-W302 HydrophobicContact CG-CZ2 3.61Å; P291-W302 HydrophobicContact CG-CZ3 4.05Å; Q296-W302 PolarHBondContact O-NE1 3.32Å; I299-W302 PolarHBondContact O-N 3.16Å; T300-W302 VanDerWaalsContact C-N 3.28Å; T300-W302 PolarHBondContact O-N 2.78Å; W302-E304 VanDerWaalsContact C-N 3.32Å; W302-E304 PolarHBondContact O-N 3.34Å; W302-A305 PolarHBondContact O-N 3.21Å; W302-V306 WeakPolarHBondContact O-CB 3.36Å; W302-V306 VanDerWaalsContact O-CG2 3.25Å; W302-V306 WeakPolarHBondContact O-CG2 3.32Å; W302-V306 PolarHBondContact O-N 3.46Å |
| 303 | Q | 92.2 | Very high | 88.4 | Confident | 127 Ų | 127 | 82.6 Ų | 82.6 | 59% | 0.593 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 174.2 | -70.9 | 175.1 | -11.7 | 0 | 0 | 111.4 | I299 T300 V306 A307 | I299-Q303 HydrophobicContact CG2-CG 4.44Å; I299-Q303 WeakPolarHBondContact O-CG 3.38Å; I299-Q303 PolarHBondContact O-N 3.01Å; T300-Q303 WeakPolarHBondContact O-CB 3.46Å; T300-Q303 PolarHBondContact O-N 3.31Å; T300-Q303 VanDerWaalsContact O-N 3.12Å; Q303-V306 PolarHBondContact O-N 3.31Å; Q303-A307 WeakPolarHBondContact O-CB 3.46Å; Q303-A307 PolarHBondContact O-N 2.94Å |
| 304 | E | 88.2 | Confident | 88.9 | Confident | 137 Ų | 137 | 83.9 Ų | 83.9 | 64% | 0.64 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 174.2 | -71 | 178.9 | 173.9 | 0 | 0 | 112.2 | T300 W302 V306 A307 N308 | T300-E304 PolarHBondContact O-N 3.12Å; W302-E304 VanDerWaalsContact C-N 3.32Å; W302-E304 PolarHBondContact O-N 3.34Å; E304-V306 VanDerWaalsContact C-N 3.34Å; E304-V306 PolarHBondContact O-N 3.04Å; E304-A307 PolarHBondContact O-N 3.32Å; E304-N308 WeakPolarHBondContact O-CB 3.41Å; E304-N308 PolarHBondContact O-N 3.29Å |
| 305 | A | 88.2 | Confident | 89.2 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S301 W302 N308 S309 | S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 2.97Å; W302-A305 PolarHBondContact O-N 3.21Å; A305-N308 PolarHBondContact O-N 3.1Å; A305-S309 PolarHBondContact O-N 3.28Å |
| 306 | V | 90.3 | Very high | 89.5 | Confident | 68 Ų | 68 | 80.6 Ų | 80.6 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 174.5 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | W302 Q303 E304 S309 K310 | W302-V306 WeakPolarHBondContact O-CB 3.36Å; W302-V306 VanDerWaalsContact O-CG2 3.25Å; W302-V306 WeakPolarHBondContact O-CG2 3.32Å; W302-V306 PolarHBondContact O-N 3.46Å; Q303-V306 PolarHBondContact O-N 3.31Å; E304-V306 VanDerWaalsContact C-N 3.34Å; E304-V306 PolarHBondContact O-N 3.04Å; V306-S309 WeakPolarHBondContact CA-OG 3.21Å; V306-S309 PolarHBondContact O-N 3.19Å; V306-S309 PolarHBondContact O-OG 3.35Å; V306-K310 HydrophobicContact CG1-CD 4.37Å; V306-K310 WeakPolarHBondContact O-CG 3.15Å; V306-K310 PolarHBondContact O-N 3.49Å |
| 307 | A | 90.4 | Very high | 90.2 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q303 E304 S309 K310 T311 | Q303-A307 WeakPolarHBondContact O-CB 3.46Å; Q303-A307 PolarHBondContact O-N 2.94Å; E304-A307 PolarHBondContact O-N 3.32Å; A307-S309 VanDerWaalsContact C-N 3.35Å; A307-S309 PolarHBondContact O-N 3.29Å; A307-K310 PolarHBondContact O-N 3.23Å; A307-T311 WeakPolarHBondContact O-CG2 3.3Å; A307-T311 PolarHBondContact O-N 3.03Å; A307-T311 PolarHBondContact O-OG1 3.31Å |
| 308 | N | 88.4 | Confident | 90.7 | Very high | 36 Ų | 36 | 77.8 Ų | 77.8 | 19% | 0.193 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 175.4 | -172.3 | 37.2 | 0 | 0 | 0 | 111.5 | E287 E304 A305 K310 T311 Q312 | E287-N308 PolarHBondContact O-ND2 3.17Å; E287-N308 VanDerWaalsContact O-ND2 3.08Å; E304-N308 WeakPolarHBondContact O-CB 3.41Å; E304-N308 PolarHBondContact O-N 3.29Å; A305-N308 PolarHBondContact O-N 3.1Å; N308-K310 PolarHBondContact O-N 2.95Å; N308-T311 WeakPolarHBondContact CA-OG1 3.44Å; N308-T311 PolarHBondContact O-N 3.36Å; N308-T311 PolarHBondContact O-OG1 2.81Å; N308-Q312 WeakPolarHBondContact O-CB 3.23Å; N308-Q312 PolarHBondContact O-N 3.01Å |
| 309 | S | 88.3 | Confident | 90.9 | Very high | 49 Ų | 49 | 82 Ų | 82 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 178.7 | 72.5 | 0 | 0 | 0 | 0 | 113 | A305 V306 A307 Q312 L313 | A305-S309 PolarHBondContact O-N 3.28Å; V306-S309 WeakPolarHBondContact CA-OG 3.21Å; V306-S309 PolarHBondContact O-N 3.19Å; V306-S309 PolarHBondContact O-OG 3.35Å; A307-S309 VanDerWaalsContact C-N 3.35Å; A307-S309 PolarHBondContact O-N 3.29Å; S309-Q312 PolarHBondContact O-N 3.28Å; S309-L313 PolarHBondContact O-N 3.44Å |
| 310 | K | 91.8 | Very high | 91.1 | Very high | 134 Ų | 134 | 80.3 Ų | 80.3 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 172.2 | -73.9 | 178.1 | 179.6 | -175.7 | 0 | 111.4 | V306 A307 N308 Q312 L313 E314 | V306-K310 HydrophobicContact CG1-CD 4.37Å; V306-K310 WeakPolarHBondContact O-CG 3.15Å; V306-K310 PolarHBondContact O-N 3.49Å; A307-K310 PolarHBondContact O-N 3.23Å; N308-K310 PolarHBondContact O-N 2.95Å; K310-Q312 PolarHBondContact O-N 3.49Å; K310-L313 WeakPolarHBondContact O-CB 3.47Å; K310-L313 PolarHBondContact O-N 3.1Å; K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 3.18Å; K310-E314 VanDerWaalsContact O-N 3.09Å |
| 311 | T | 89.7 | Confident | 91.4 | Very high | 63 Ų | 63 | 80.9 Ų | 80.9 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 177.5 | 60 | 0 | 0 | 0 | 0 | 112 | A307 N308 E314 H315 | A307-T311 WeakPolarHBondContact O-CG2 3.3Å; A307-T311 PolarHBondContact O-N 3.03Å; A307-T311 PolarHBondContact O-OG1 3.31Å; N308-T311 WeakPolarHBondContact CA-OG1 3.44Å; N308-T311 PolarHBondContact O-N 3.36Å; N308-T311 PolarHBondContact O-OG1 2.81Å; T311-E314 PolarHBondContact O-N 3.11Å; T311-H315 WeakPolarHBondContact O-CB 3.45Å; T311-H315 PolarHBondContact O-CD2 3.27Å; T311-H315 PolarHBondContact O-N 3.15Å |
| 312 | Q | 89.3 | Confident | 91.8 | Very high | 25 Ų | 25 | 85.1 Ų | 85.1 | 12% | 0.117 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70 | -35.9 | 178.8 | -176.6 | 64.5 | -2.5 | 0 | 0 | 112.4 | L288 N308 S309 K310 H315 Q316 | L288-Q312 HydrophobicContact CD1-CG 4.46Å; L288-Q312 HydrophobicContact CD2-CB 4.14Å; L288-Q312 HydrophobicContact CD2-CG 4.2Å; L288-Q312 HydrophobicContact CG-CG 4.34Å; N308-Q312 WeakPolarHBondContact O-CB 3.23Å; N308-Q312 PolarHBondContact O-N 3.01Å; S309-Q312 PolarHBondContact O-N 3.28Å; K310-Q312 PolarHBondContact O-N 3.49Å; Q312-H315 PolarHBondContact O-N 2.83Å; Q312-Q316 VanDerWaalsContact NE2-NE2 3.14Å; Q312-Q316 WeakPolarHBondContact O-CG 3.24Å; Q312-Q316 PolarHBondContact O-N 2.8Å |
| 313 | L | 91.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 82.9 Ų | 82.9 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.8 | -53.5 | 173 | -177.2 | 67.6 | 0 | 0 | 0 | 110.3 | S309 K310 H315 Q316 D317 | S309-L313 PolarHBondContact O-N 3.44Å; K310-L313 WeakPolarHBondContact O-CB 3.47Å; K310-L313 PolarHBondContact O-N 3.1Å; L313-H315 PolarHBondContact O-N 2.94Å; L313-Q316 WeakPolarHBondContact O-CA 3.44Å; L313-Q316 PolarHBondContact O-N 2.89Å; L313-D317 PolarHBondContact O-N 3.4Å |
| 314 | E | 93.2 | Very high | 92.3 | Very high | 115 Ų | 115 | 82.3 Ų | 82.3 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.5 | -39.1 | 176.4 | -64.2 | -63.4 | 158.3 | 0 | 0 | 111.9 | K310 T311 D317 L318 | K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 3.18Å; K310-E314 VanDerWaalsContact O-N 3.09Å; T311-E314 PolarHBondContact O-N 3.11Å; E314-D317 PolarHBondContact O-N 3.01Å; E314-L318 WeakPolarHBondContact O-CB 3.15Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 3.06Å |
| 315 | H | 91.3 | Very high | 92.7 | Very high | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.31 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 174.2 | -85.8 | -63.3 | 0 | 0 | 0 | 113.7 | R285 T311 Q312 L313 R319 | R285-H315 PolarHBondContact NH2-CE1 3.29Å; R285-H315 VanDerWaalsContact NH2-CE1 3.33Å; R285-H315 PolarHBondContact NH2-NE2 3.36Å; T311-H315 WeakPolarHBondContact O-CB 3.45Å; T311-H315 PolarHBondContact O-CD2 3.27Å; T311-H315 PolarHBondContact O-N 3.15Å; Q312-H315 PolarHBondContact O-N 2.83Å; L313-H315 PolarHBondContact O-N 2.94Å; H315-R319 WeakPolarHBondContact O-CB 3.47Å; H315-R319 PolarHBondContact O-N 2.95Å |
| 316 | Q | 90.6 | Very high | 93 | Very high | 69 Ų | 69 | 84.2 Ų | 84.2 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 175.1 | -67.5 | -45.7 | -55.7 | 0 | 0 | 111.1 | Q312 L313 R319 I320 | Q312-Q316 VanDerWaalsContact NE2-NE2 3.14Å; Q312-Q316 WeakPolarHBondContact O-CG 3.24Å; Q312-Q316 PolarHBondContact O-N 2.8Å; L313-Q316 WeakPolarHBondContact O-CA 3.44Å; L313-Q316 PolarHBondContact O-N 2.89Å; Q316-R319 WeakPolarHBondContact O-CB 3.49Å; Q316-R319 PolarHBondContact O-N 3.35Å; Q316-I320 WeakPolarHBondContact O-CG1 3.38Å; Q316-I320 PolarHBondContact O-N 3.36Å |
| 317 | D | 94.9 | Very high | 93.3 | Very high | 81 Ų | 81 | 84.2 Ų | 84.2 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 178.4 | -66.4 | -20.2 | 0 | 0 | 0 | 111 | L313 E314 R319 I320 L321 | L313-D317 PolarHBondContact O-N 3.4Å; E314-D317 PolarHBondContact O-N 3.01Å; D317-R319 PolarHBondContact O-N 2.76Å; D317-I320 PolarHBondContact O-N 2.98Å; D317-L321 PolarHBondContact O-N 3.02Å |
| 318 | L | 95.6 | Very high | 93.5 | Very high | 95 Ų | 95 | 86.8 Ų | 86.8 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 172.5 | -73.7 | 174.3 | 0 | 0 | 0 | 112.4 | E314 N322 | E314-L318 WeakPolarHBondContact O-CB 3.15Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 3.06Å; L318-N322 VanDerWaalsContact O-CB 3.3Å; L318-N322 WeakPolarHBondContact O-CB 3.27Å; L318-N322 PolarHBondContact O-N 3.07Å; L318-N322 PolarHBondContact O-ND2 3.39Å |
| 319 | R | 94.9 | Very high | 93.9 | Very high | 145 Ų | 145 | 90.8 Ų | 90.8 | 55% | 0.547 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 177.2 | 179.2 | -177 | -178.9 | -170.6 | 2.7 | 111.4 | H315 Q316 D317 N322 L323 | H315-R319 WeakPolarHBondContact O-CB 3.47Å; H315-R319 PolarHBondContact O-N 2.95Å; Q316-R319 WeakPolarHBondContact O-CB 3.49Å; Q316-R319 PolarHBondContact O-N 3.35Å; D317-R319 PolarHBondContact O-N 2.76Å; R319-N322 PolarHBondContact O-N 3.36Å; R319-L323 HydrophobicContact CG-CD1 4.06Å; R319-L323 HydrophobicContact CG-CG 4.42Å; R319-L323 WeakPolarHBondContact O-CB 3.3Å; R319-L323 WeakPolarHBondContact O-CG 3.43Å; R319-L323 PolarHBondContact O-N 2.88Å |
| 320 | I | 95.6 | Very high | 94.2 | Very high | 86 Ų | 86 | 89.9 Ų | 89.9 | 44% | 0.441 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 176 | -69.5 | 164 | 0 | 0 | 0 | 109 | Q316 D317 N322 L323 E324 | Q316-I320 WeakPolarHBondContact O-CG1 3.38Å; Q316-I320 PolarHBondContact O-N 3.36Å; D317-I320 PolarHBondContact O-N 2.98Å; I320-N322 VanDerWaalsContact C-N 3.34Å; I320-N322 PolarHBondContact O-N 3Å; I320-L323 WeakPolarHBondContact O-CB 3.28Å; I320-L323 PolarHBondContact O-N 2.92Å; I320-E324 HydrophobicContact CG2-CG 4.46Å; I320-E324 WeakPolarHBondContact O-CG 3.44Å; I320-E324 PolarHBondContact O-N 3.39Å |
| 321 | L | 96.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 86.5 Ų | 86.5 | 45% | 0.45 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 176.9 | -176 | 150.6 | 0 | 0 | 0 | 112.1 | D317 L323 E324 L325 | D317-L321 PolarHBondContact O-N 3.02Å; L321-L323 VanDerWaalsContact C-N 3.31Å; L321-L323 PolarHBondContact O-N 3.06Å; L321-E324 PolarHBondContact O-N 3Å; L321-L325 HydrophobicContact CD2-CD1 3.61Å; L321-L325 HydrophobicContact CD2-CG 4.29Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.86Å |
| 322 | N | 96.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 87.8 Ų | 87.8 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 176.9 | -75.7 | -33.6 | 0 | 0 | 0 | 112.9 | L318 R319 I320 M326 | L318-N322 VanDerWaalsContact O-CB 3.3Å; L318-N322 WeakPolarHBondContact O-CB 3.27Å; L318-N322 PolarHBondContact O-N 3.07Å; L318-N322 PolarHBondContact O-ND2 3.39Å; R319-N322 PolarHBondContact O-N 3.36Å; I320-N322 VanDerWaalsContact C-N 3.34Å; I320-N322 PolarHBondContact O-N 3Å; N322-M326 VanDerWaalsContact O-CB 3.25Å; N322-M326 WeakPolarHBondContact O-CB 3.4Å; N322-M326 PolarHBondContact O-N 3.05Å |
| 323 | L | 96.4 | Very high | 95 | Very high | 83 Ų | 83 | 90.7 Ų | 90.7 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.2 | -36.9 | 176.6 | -75.1 | 172.6 | 0 | 0 | 0 | 111.9 | R319 I320 L321 M326 A327 | R319-L323 HydrophobicContact CG-CD1 4.06Å; R319-L323 HydrophobicContact CG-CG 4.42Å; R319-L323 WeakPolarHBondContact O-CB 3.3Å; R319-L323 WeakPolarHBondContact O-CG 3.43Å; R319-L323 PolarHBondContact O-N 2.88Å; I320-L323 WeakPolarHBondContact O-CB 3.28Å; I320-L323 PolarHBondContact O-N 2.92Å; L321-L323 VanDerWaalsContact C-N 3.31Å; L321-L323 PolarHBondContact O-N 3.06Å; L323-M326 HydrophobicContact CD2-CE 3.7Å; L323-M326 PolarHBondContact O-N 3Å; L323-A327 WeakPolarHBondContact O-CB 3.29Å; L323-A327 PolarHBondContact O-N 3.4Å |
| 324 | E | 96.6 | Very high | 95.2 | Very high | 115 Ų | 115 | 94.3 Ų | 94.3 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -51.5 | 172.1 | -70.8 | 171.8 | 172.5 | 0 | 0 | 110.1 | I320 L321 M326 A327 D328 | I320-E324 HydrophobicContact CG2-CG 4.46Å; I320-E324 WeakPolarHBondContact O-CG 3.44Å; I320-E324 PolarHBondContact O-N 3.39Å; L321-E324 PolarHBondContact O-N 3Å; E324-M326 VanDerWaalsContact C-N 3.29Å; E324-M326 PolarHBondContact O-N 3.15Å; E324-A327 WeakPolarHBondContact O-CB 3.2Å; E324-A327 PolarHBondContact O-N 3.05Å; E324-D328 PolarHBondContact O-N 3.11Å |
| 325 | L | 96 | Very high | 95.3 | Very high | 79 Ų | 79 | 96 Ų | 96 | 41% | 0.414 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 174.9 | -69.4 | 176.1 | 0 | 0 | 0 | 112.7 | L321 A327 D328 F329 | L321-L325 HydrophobicContact CD2-CD1 3.61Å; L321-L325 HydrophobicContact CD2-CG 4.29Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.86Å; L325-A327 VanDerWaalsContact C-N 3.35Å; L325-D328 PolarHBondContact O-N 2.9Å; L325-F329 HydrophobicContact CD2-CD2 4.26Å; L325-F329 HydrophobicContact CD2-CE2 3.87Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.48Å; L325-F329 PolarHBondContact O-N 3.29Å |
| 326 | M | 95.4 | Very high | 95.5 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.2 | -35.6 | 177.6 | -173.8 | -174 | 71.9 | 0 | 0 | 111.9 | N322 L323 E324 G330 | N322-M326 VanDerWaalsContact O-CB 3.25Å; N322-M326 WeakPolarHBondContact O-CB 3.4Å; N322-M326 PolarHBondContact O-N 3.05Å; L323-M326 HydrophobicContact CD2-CE 3.7Å; L323-M326 PolarHBondContact O-N 3Å; E324-M326 VanDerWaalsContact C-N 3.29Å; E324-M326 PolarHBondContact O-N 3.15Å; M326-G330 WeakPolarHBondContact O-CA 2.97Å; M326-G330 PolarHBondContact O-N 3.41Å |
| 327 | A | 95 | Very high | 95.8 | Very high | 67 Ų | 67 | 102 Ų | 102 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L323 E324 L325 | L323-A327 WeakPolarHBondContact O-CB 3.29Å; L323-A327 PolarHBondContact O-N 3.4Å; E324-A327 WeakPolarHBondContact O-CB 3.2Å; E324-A327 PolarHBondContact O-N 3.05Å; L325-A327 VanDerWaalsContact C-N 3.35Å |
| 328 | D | 96 | Very high | 95.9 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.3 | -50.3 | -178.7 | -67.7 | -17.3 | 0 | 0 | 0 | 112.2 | E324 L325 | E324-D328 PolarHBondContact O-N 3.11Å; L325-D328 PolarHBondContact O-N 2.9Å |
| 329 | F | 96.4 | Very high | 96 | Very high | 121 Ų | 121 | 102.4 Ų | 102.4 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -103.3 | -19 | -170.4 | -58 | -70.6 | 0 | 0 | 0 | 114.4 | L325 D332 V333 | L325-F329 HydrophobicContact CD2-CD2 4.26Å; L325-F329 HydrophobicContact CD2-CE2 3.87Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.48Å; L325-F329 PolarHBondContact O-N 3.29Å; F329-D332 PolarHBondContact O-N 2.85Å; F329-V333 HydrophobicContact CB-CG2 4.45Å; F329-V333 WeakPolarHBondContact O-CG2 3.4Å; F329-V333 PolarHBondContact O-N 3.18Å |
| 330 | G | 95.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 103.6 Ų | 103.6 | 30% | 0.299 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.7 | -48.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M326 D332 W334 | M326-G330 WeakPolarHBondContact O-CA 2.97Å; M326-G330 PolarHBondContact O-N 3.41Å; G330-D332 VanDerWaalsContact C-N 3.28Å; G330-D332 PolarHBondContact O-N 2.86Å; G330-W334 WeakPolarHBondContact O-CB 3.32Å; G330-W334 PolarHBondContact O-N 3.45Å |
| 331 | P | 94.7 | Very high | 96.1 | Very high | 64 Ų | 64 | 102 Ų | 102 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -30.7 | 179.8 | -24.4 | 35.1 | 0 | 0 | 0 | 114.4 | R335 | P331-R335 WeakPolarHBondContact O-CG 3.32Å; P331-R335 PolarHBondContact O-N 3.48Å; P331-R335 PolarHBondContact O-NE 3.32Å |
| 332 | D | 95.2 | Very high | 96.1 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -83 | -46.8 | -177.3 | -68.6 | -16.4 | 0 | 0 | 0 | 110.9 | F329 G330 W334 R335 E336 | F329-D332 PolarHBondContact O-N 2.85Å; G330-D332 VanDerWaalsContact C-N 3.28Å; G330-D332 PolarHBondContact O-N 2.86Å; D332-W334 VanDerWaalsContact C-N 3.25Å; D332-W334 PolarHBondContact O-N 3.47Å; D332-R335 PolarHBondContact O-N 2.89Å; D332-R335 VanDerWaalsContact O-N 3.12Å; D332-R335 IonicContact OD1-CZ 3.2Å; D332-R335 IonicContact OD1-NE 2.7Å; D332-R335 IonicContact OD1-NH1 2.81Å; D332-R335 IonicContact OD1-NH2 3.84Å; D332-R335 PolarHBondContact OD1-NH2 3.21Å; D332-E336 PolarHBondContact O-N 3.49Å |
| 333 | V | 96.4 | Very high | 96.1 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 173.1 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | F329 E336 Y337 | F329-V333 HydrophobicContact CB-CG2 4.45Å; F329-V333 WeakPolarHBondContact O-CG2 3.4Å; F329-V333 PolarHBondContact O-N 3.18Å; V333-E336 PolarHBondContact O-N 3.09Å; V333-Y337 WeakPolarHBondContact O-CB 3.48Å; V333-Y337 PolarHBondContact O-N 2.97Å |
| 334 | W | 95.2 | Very high | 96.1 | Very high | 178 Ų | 178 | 102.9 Ų | 102.9 | 67% | 0.674 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 177.9 | -170.1 | -104.6 | 0 | 0 | 0 | 112.8 | G330 D332 Y337 S338 | G330-W334 WeakPolarHBondContact O-CB 3.32Å; G330-W334 PolarHBondContact O-N 3.45Å; D332-W334 VanDerWaalsContact C-N 3.25Å; D332-W334 PolarHBondContact O-N 3.47Å; W334-Y337 HydrophobicContact CE3-CD1 4.29Å; W334-Y337 HydrophobicContact CH2-CE1 4.43Å; W334-Y337 HydrophobicContact CZ3-CD1 4.17Å; W334-Y337 HydrophobicContact CZ3-CE1 4.34Å; W334-S338 WeakPolarHBondContact O-CB 3.37Å; W334-S338 PolarHBondContact O-N 3.15Å |
| 335 | R | 96.2 | Very high | 96.1 | Very high | 150 Ų | 150 | 100.5 Ų | 100.5 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -49.6 | 174.3 | -82.7 | -179.5 | -94.2 | 171.7 | -2.8 | 111.1 | P331 D332 Y337 S338 E339 | P331-R335 WeakPolarHBondContact O-CG 3.32Å; P331-R335 PolarHBondContact O-N 3.48Å; P331-R335 PolarHBondContact O-NE 3.32Å; D332-R335 PolarHBondContact O-N 2.89Å; D332-R335 VanDerWaalsContact O-N 3.12Å; D332-R335 IonicContact OD1-CZ 3.2Å; D332-R335 IonicContact OD1-NE 2.7Å; D332-R335 IonicContact OD1-NH1 2.81Å; D332-R335 IonicContact OD1-NH2 3.84Å; D332-R335 PolarHBondContact OD1-NH2 3.21Å; R335-Y337 VanDerWaalsContact C-N 3.34Å; R335-Y337 PolarHBondContact O-N 3Å; R335-S338 PolarHBondContact O-N 2.94Å; R335-E339 PolarHBondContact O-N 3.32Å |
| 336 | E | 96.5 | Very high | 96.1 | Very high | 133 Ų | 133 | 99.5 Ų | 99.5 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -45.1 | 176.6 | -168.9 | -165.3 | 155.2 | 0 | 0 | 111.7 | D332 V333 S338 E339 R340 | D332-E336 PolarHBondContact O-N 3.49Å; V333-E336 PolarHBondContact O-N 3.09Å; E336-S338 PolarHBondContact O-N 3.27Å; E336-E339 PolarHBondContact O-N 3.08Å; E336-R340 WeakPolarHBondContact O-CB 3.19Å; E336-R340 PolarHBondContact O-N 3.32Å |
| 337 | Y | 96.8 | Very high | 96.2 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 51% | 0.506 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 175.1 | 173.5 | -99.8 | 0 | 0 | 0 | 111.8 | V333 W334 R335 E339 R340 V341 | V333-Y337 WeakPolarHBondContact O-CB 3.48Å; V333-Y337 PolarHBondContact O-N 2.97Å; W334-Y337 HydrophobicContact CE3-CD1 4.29Å; W334-Y337 HydrophobicContact CH2-CE1 4.43Å; W334-Y337 HydrophobicContact CZ3-CD1 4.17Å; W334-Y337 HydrophobicContact CZ3-CE1 4.34Å; R335-Y337 VanDerWaalsContact C-N 3.34Å; R335-Y337 PolarHBondContact O-N 3Å; Y337-E339 VanDerWaalsContact C-N 3.31Å; Y337-E339 PolarHBondContact O-N 3.4Å; Y337-R340 PolarHBondContact O-N 3.47Å; Y337-V341 HydrophobicContact CD1-CG2 4.28Å; Y337-V341 HydrophobicContact CD2-CG2 4.32Å; Y337-V341 HydrophobicContact CE1-CG2 3.81Å; Y337-V341 HydrophobicContact CE2-CG2 3.86Å; Y337-V341 WeakPolarHBondContact O-CG2 3.22Å; Y337-V341 PolarHBondContact O-N 3.47Å |
| 338 | S | 96 | Very high | 96.2 | Very high | 69 Ų | 69 | 100.4 Ų | 100.4 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.9 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | W334 R335 E336 V341 A342 | W334-S338 WeakPolarHBondContact O-CB 3.37Å; W334-S338 PolarHBondContact O-N 3.15Å; R335-S338 PolarHBondContact O-N 2.94Å; E336-S338 PolarHBondContact O-N 3.27Å; S338-V341 PolarHBondContact O-N 2.97Å; S338-A342 WeakPolarHBondContact O-CB 2.84Å; S338-A342 PolarHBondContact O-N 3.36Å |
| 339 | E | 97.1 | Very high | 96.2 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.5 | -72.4 | -177.1 | -173.3 | 0 | 0 | 112 | R335 E336 Y337 V341 A342 K343 | R335-E339 PolarHBondContact O-N 3.32Å; E336-E339 PolarHBondContact O-N 3.08Å; Y337-E339 VanDerWaalsContact C-N 3.31Å; Y337-E339 PolarHBondContact O-N 3.4Å; E339-V341 VanDerWaalsContact C-N 3.34Å; E339-V341 PolarHBondContact O-N 2.72Å; E339-A342 WeakPolarHBondContact O-CB 3.46Å; E339-A342 PolarHBondContact O-N 3.15Å; E339-K343 WeakPolarHBondContact O-CG 3.34Å; E339-K343 PolarHBondContact O-N 3.35Å |
| 340 | R | 97.1 | Very high | 96.1 | Very high | 170 Ų | 170 | 104.8 Ų | 104.8 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 175.8 | -178.3 | 176.4 | 172 | 179.7 | -2.5 | 111.4 | E336 Y337 A342 K343 L344 | E336-R340 WeakPolarHBondContact O-CB 3.19Å; E336-R340 PolarHBondContact O-N 3.32Å; Y337-R340 PolarHBondContact O-N 3.47Å; R340-A342 VanDerWaalsContact C-N 3.34Å; R340-K343 PolarHBondContact O-N 2.93Å; R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 WeakPolarHBondContact O-CG 3.34Å; R340-L344 PolarHBondContact O-N 3.34Å |
| 341 | V | 96.2 | Very high | 96.2 | Very high | 53 Ų | 53 | 111.3 Ų | 111.3 | 32% | 0.321 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y337 S338 E339 K343 L344 V345 | Y337-V341 HydrophobicContact CD1-CG2 4.28Å; Y337-V341 HydrophobicContact CD2-CG2 4.32Å; Y337-V341 HydrophobicContact CE1-CG2 3.81Å; Y337-V341 HydrophobicContact CE2-CG2 3.86Å; Y337-V341 WeakPolarHBondContact O-CG2 3.22Å; Y337-V341 PolarHBondContact O-N 3.47Å; S338-V341 PolarHBondContact O-N 2.97Å; E339-V341 VanDerWaalsContact C-N 3.34Å; E339-V341 PolarHBondContact O-N 2.72Å; V341-K343 VanDerWaalsContact C-N 3.35Å; V341-K343 PolarHBondContact O-N 2.79Å; V341-L344 PolarHBondContact O-N 3.47Å; V341-V345 HydrophobicContact CG1-CG2 4.44Å; V341-V345 WeakPolarHBondContact O-CG2 3.21Å; V341-V345 PolarHBondContact O-N 3.28Å |
| 342 | A | 96.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 112.2 Ų | 112.2 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S338 E339 R340 V345 A346 | S338-A342 WeakPolarHBondContact O-CB 2.84Å; S338-A342 PolarHBondContact O-N 3.36Å; E339-A342 WeakPolarHBondContact O-CB 3.46Å; E339-A342 PolarHBondContact O-N 3.15Å; R340-A342 VanDerWaalsContact C-N 3.34Å; A342-V345 PolarHBondContact O-N 2.98Å; A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.41Å |
| 343 | K | 97 | Very high | 96.1 | Very high | 134 Ų | 134 | 113.3 Ų | 113.3 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 174.6 | -72 | 173.4 | -175.5 | 170.6 | 0 | 112 | E339 R340 V341 V345 A346 Q347 | E339-K343 WeakPolarHBondContact O-CG 3.34Å; E339-K343 PolarHBondContact O-N 3.35Å; R340-K343 PolarHBondContact O-N 2.93Å; V341-K343 VanDerWaalsContact C-N 3.35Å; V341-K343 PolarHBondContact O-N 2.79Å; K343-V345 PolarHBondContact O-N 3.32Å; K343-A346 PolarHBondContact O-N 3.46Å; K343-Q347 WeakPolarHBondContact O-CG 3.47Å; K343-Q347 PolarHBondContact O-N 3.15Å |
| 344 | L | 96.7 | Very high | 96 | Very high | 89 Ų | 89 | 115.8 Ų | 115.8 | 47% | 0.466 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.9 | -72.7 | 171.9 | 0 | 0 | 0 | 111.6 | R340 V341 A346 Q347 S348 | R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 WeakPolarHBondContact O-CG 3.34Å; R340-L344 PolarHBondContact O-N 3.34Å; V341-L344 PolarHBondContact O-N 3.47Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 3.11Å; L344-Q347 PolarHBondContact O-N 3.41Å; L344-S348 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-OG 3.03Å |
| 345 | V | 95.9 | Very high | 96 | Very high | 65 Ų | 65 | 110.6 Ų | 110.6 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.2 | 171 | 0 | 0 | 0 | 0 | 111.4 | V341 A342 K343 S348 R349 | V341-V345 HydrophobicContact CG1-CG2 4.44Å; V341-V345 WeakPolarHBondContact O-CG2 3.21Å; V341-V345 PolarHBondContact O-N 3.28Å; A342-V345 PolarHBondContact O-N 2.98Å; K343-V345 PolarHBondContact O-N 3.32Å; V345-S348 PolarHBondContact O-N 2.8Å; V345-R349 WeakPolarHBondContact O-CB 3.15Å; V345-R349 WeakPolarHBondContact O-CG 3.36Å; V345-R349 PolarHBondContact O-N 3.1Å |
| 346 | A | 96.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 111.1 Ų | 111.1 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A342 K343 L344 R349 K350 | A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.41Å; K343-A346 PolarHBondContact O-N 3.46Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 3.11Å; A346-R349 PolarHBondContact O-N 3.39Å; A346-K350 PolarHBondContact O-N 3.45Å |
| 347 | Q | 96.8 | Very high | 95.8 | Very high | 128 Ų | 128 | 110.5 Ų | 110.5 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 175.4 | -71.9 | 174.6 | -6.6 | 0 | 0 | 112 | K343 L344 R349 K350 R351 | K343-Q347 WeakPolarHBondContact O-CG 3.47Å; K343-Q347 PolarHBondContact O-N 3.15Å; L344-Q347 PolarHBondContact O-N 3.41Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.3Å; Q347-K350 PolarHBondContact O-N 2.97Å; Q347-R351 PolarHBondContact O-N 3.29Å |
| 348 | S | 94.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 108.6 Ų | 108.6 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | L344 V345 R351 L352 | L344-S348 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-OG 3.03Å; V345-S348 PolarHBondContact O-N 2.8Å; S348-R351 PolarHBondContact O-N 3.42Å; S348-L352 WeakPolarHBondContact O-CB 3.35Å; S348-L352 PolarHBondContact O-N 2.97Å |
| 349 | R | 96 | Very high | 95.5 | Very high | 163 Ų | 163 | 108.2 Ų | 108.2 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 175.4 | -75 | 179.2 | -177.3 | -171.7 | 3.8 | 112.1 | V345 A346 Q347 R351 L352 E353 | V345-R349 WeakPolarHBondContact O-CB 3.15Å; V345-R349 WeakPolarHBondContact O-CG 3.36Å; V345-R349 PolarHBondContact O-N 3.1Å; A346-R349 PolarHBondContact O-N 3.39Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.3Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 2.93Å; R349-L352 WeakPolarHBondContact O-CB 3.43Å; R349-L352 PolarHBondContact O-N 2.77Å; R349-L352 VanDerWaalsContact O-N 3.13Å; R349-E353 WeakPolarHBondContact O-CG 3.28Å; R349-E353 PolarHBondContact O-N 3.32Å |
| 350 | K | 96 | Very high | 95.3 | Very high | 158 Ų | 158 | 108.7 Ų | 108.7 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 175.9 | -171.7 | 177.4 | -178.7 | 179.4 | 0 | 111.6 | A346 Q347 E353 R354 | A346-K350 PolarHBondContact O-N 3.45Å; Q347-K350 PolarHBondContact O-N 2.97Å; K350-E353 PolarHBondContact O-N 3.06Å; K350-R354 PolarHBondContact O-N 2.88Å |
| 351 | R | 96.2 | Very high | 95.1 | Very high | 166 Ų | 166 | 105.4 Ų | 105.4 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 174.4 | -175.9 | 177.3 | 177.6 | 177.3 | 0.1 | 111.8 | Q347 S348 R349 R354 I355 | Q347-R351 PolarHBondContact O-N 3.29Å; S348-R351 PolarHBondContact O-N 3.42Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 2.93Å; R351-R354 PolarHBondContact O-N 2.98Å; R351-I355 HydrophobicContact CG-CD1 3.98Å; R351-I355 WeakPolarHBondContact O-CG1 3.47Å; R351-I355 PolarHBondContact O-N 2.93Å |
| 352 | L | 94.4 | Very high | 94.9 | Very high | 83 Ų | 83 | 107.2 Ų | 107.2 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.4 | -178.3 | 69.7 | 0 | 0 | 0 | 111.9 | S348 R349 I355 R356 | S348-L352 WeakPolarHBondContact O-CB 3.35Å; S348-L352 PolarHBondContact O-N 2.97Å; R349-L352 WeakPolarHBondContact O-CB 3.43Å; R349-L352 PolarHBondContact O-N 2.77Å; R349-L352 VanDerWaalsContact O-N 3.13Å; L352-I355 PolarHBondContact O-N 3.1Å; L352-R356 WeakPolarHBondContact O-CB 3.45Å; L352-R356 VanDerWaalsContact O-CG 3.3Å; L352-R356 WeakPolarHBondContact O-CG 3.43Å; L352-R356 PolarHBondContact O-N 3.29Å |
| 353 | E | 93.7 | Very high | 94.7 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.8 | -74.8 | 170.3 | -178.1 | 0 | 0 | 111.7 | R349 K350 R356 Q357 | R349-E353 WeakPolarHBondContact O-CG 3.28Å; R349-E353 PolarHBondContact O-N 3.32Å; K350-E353 PolarHBondContact O-N 3.06Å; E353-R356 PolarHBondContact O-N 2.96Å; E353-Q357 WeakPolarHBondContact O-CG 3.29Å; E353-Q357 PolarHBondContact O-N 3.16Å |
| 354 | R | 95.2 | Very high | 94.4 | Very high | 138 Ų | 138 | 103.3 Ų | 103.3 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 174.9 | -170 | -175.7 | 69.2 | -162.7 | -0.3 | 111.9 | K350 R351 R356 Q357 E358 | K350-R354 PolarHBondContact O-N 2.88Å; R351-R354 PolarHBondContact O-N 2.98Å; R354-R356 VanDerWaalsContact C-N 3.26Å; R354-R356 PolarHBondContact O-N 3.34Å; R354-Q357 WeakPolarHBondContact O-CB 3.5Å; R354-Q357 PolarHBondContact O-N 3.43Å; R354-Q357 VanDerWaalsContact O-N 3.13Å; R354-E358 WeakPolarHBondContact CD-OE1 3.49Å; R354-E358 WeakPolarHBondContact CG-OE1 3.33Å; R354-E358 IonicContact NE-OE1 2.78Å; R354-E358 PolarHBondContact NE-OE1 3.18Å; R354-E358 WeakPolarHBondContact O-CG 3.33Å; R354-E358 PolarHBondContact O-N 2.9Å |
| 355 | I | 94.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 107.1 Ų | 107.1 | 35% | 0.354 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 178.9 | -67.7 | 166.9 | 0 | 0 | 0 | 110.8 | R351 L352 E358 T359 | R351-I355 HydrophobicContact CG-CD1 3.98Å; R351-I355 WeakPolarHBondContact O-CG1 3.47Å; R351-I355 PolarHBondContact O-N 2.93Å; L352-I355 PolarHBondContact O-N 3.1Å; I355-E358 PolarHBondContact O-N 3.38Å; I355-T359 WeakPolarHBondContact O-CB 3.32Å; I355-T359 PolarHBondContact O-N 2.64Å; I355-T359 PolarHBondContact O-OG1 2.7Å |
| 356 | R | 94 | Very high | 93.9 | Very high | 162 Ų | 162 | 109.4 Ų | 109.4 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 176.2 | -78 | 175.3 | 174.6 | -179.1 | -2.2 | 112.6 | L352 E353 R354 H360 | L352-R356 WeakPolarHBondContact O-CB 3.45Å; L352-R356 VanDerWaalsContact O-CG 3.3Å; L352-R356 WeakPolarHBondContact O-CG 3.43Å; L352-R356 PolarHBondContact O-N 3.29Å; E353-R356 PolarHBondContact O-N 2.96Å; R354-R356 VanDerWaalsContact C-N 3.26Å; R354-R356 PolarHBondContact O-N 3.34Å; R356-H360 VanDerWaalsContact O-CB 3.25Å; R356-H360 WeakPolarHBondContact O-CB 3.19Å; R356-H360 PolarHBondContact O-N 3.31Å |
| 357 | Q | 93.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 111.8 Ų | 111.8 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -48.8 | 175 | -72.4 | 171.8 | -14 | 0 | 0 | 110.7 | E353 R354 T359 H360 E361 | E353-Q357 WeakPolarHBondContact O-CG 3.29Å; E353-Q357 PolarHBondContact O-N 3.16Å; R354-Q357 WeakPolarHBondContact O-CB 3.5Å; R354-Q357 PolarHBondContact O-N 3.43Å; R354-Q357 VanDerWaalsContact O-N 3.13Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 2.74Å; Q357-H360 WeakPolarHBondContact O-CB 3.43Å; Q357-H360 PolarHBondContact O-N 3.48Å; Q357-H360 VanDerWaalsContact O-N 3.12Å; Q357-E361 WeakPolarHBondContact O-CG 3.25Å; Q357-E361 PolarHBondContact O-N 2.94Å |
| 358 | E | 94.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 108.6 Ų | 108.6 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 175.2 | -69.7 | 165.8 | -173.9 | 0 | 0 | 111.5 | R354 I355 H360 E361 I362 | R354-E358 WeakPolarHBondContact CD-OE1 3.49Å; R354-E358 WeakPolarHBondContact CG-OE1 3.33Å; R354-E358 IonicContact NE-OE1 2.78Å; R354-E358 PolarHBondContact NE-OE1 3.18Å; R354-E358 WeakPolarHBondContact O-CG 3.33Å; R354-E358 PolarHBondContact O-N 2.9Å; I355-E358 PolarHBondContact O-N 3.38Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 2.96Å; E358-E361 PolarHBondContact O-N 2.84Å; E358-I362 VanDerWaalsContact O-CG1 3.29Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.18Å |
| 359 | T | 94 | Very high | 93 | Very high | 61 Ų | 61 | 111.7 Ų | 111.7 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.6 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | I355 Q357 N363 | I355-T359 WeakPolarHBondContact O-CB 3.32Å; I355-T359 PolarHBondContact O-N 2.64Å; I355-T359 PolarHBondContact O-OG1 2.7Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 2.74Å; T359-N363 WeakPolarHBondContact O-CB 3.43Å; T359-N363 VanDerWaalsContact O-CG 3.32Å; T359-N363 PolarHBondContact O-N 3.41Å; T359-N363 PolarHBondContact O-ND2 3.4Å |
| 360 | H | 92.8 | Very high | 92.7 | Very high | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 177.8 | -178.3 | 64.2 | 0 | 0 | 0 | 111.5 | R356 Q357 E358 I362 N363 C364 | R356-H360 VanDerWaalsContact O-CB 3.25Å; R356-H360 WeakPolarHBondContact O-CB 3.19Å; R356-H360 PolarHBondContact O-N 3.31Å; Q357-H360 WeakPolarHBondContact O-CB 3.43Å; Q357-H360 PolarHBondContact O-N 3.48Å; Q357-H360 VanDerWaalsContact O-N 3.12Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 2.96Å; H360-I362 PolarHBondContact O-N 2.95Å; H360-N363 PolarHBondContact O-N 3.35Å; H360-C364 VanDerWaalsContact CE1-SG 3.55Å; H360-C364 WeakPolarHBondContact O-CB 3.32Å; H360-C364 PolarHBondContact O-N 2.92Å; H360-C364 PolarHBondContact O-SG 2.99Å; H360-C364 VanDerWaalsContact O-SG 3.34Å |
| 361 | E | 92.3 | Very high | 92.3 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 47% | 0.472 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.9 | -73.2 | 178.8 | -165.2 | 0 | 0 | 112 | Q357 E358 N363 C364 R365 | Q357-E361 WeakPolarHBondContact O-CG 3.25Å; Q357-E361 PolarHBondContact O-N 2.94Å; E358-E361 PolarHBondContact O-N 2.84Å; E361-N363 VanDerWaalsContact C-N 3.34Å; E361-N363 PolarHBondContact O-N 3.15Å; E361-C364 PolarHBondContact O-N 2.96Å; E361-R365 WeakPolarHBondContact O-CG 3.34Å; E361-R365 PolarHBondContact O-N 3.48Å |
| 362 | I | 92.7 | Very high | 91.9 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 47% | 0.467 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.9 | -69 | 166.1 | 0 | 0 | 0 | 110.4 | E358 H360 R365 R366 | E358-I362 VanDerWaalsContact O-CG1 3.29Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.18Å; H360-I362 PolarHBondContact O-N 2.95Å; I362-R365 PolarHBondContact O-N 3.36Å; I362-R366 WeakPolarHBondContact O-CB 3.25Å; I362-R366 PolarHBondContact O-N 3.01Å |
| 363 | N | 91.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 98.6 Ų | 98.6 | 28% | 0.278 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 179.1 | -75.5 | -18 | 0 | 0 | 0 | 112.2 | T359 H360 E361 R366 K367 | T359-N363 WeakPolarHBondContact O-CB 3.43Å; T359-N363 VanDerWaalsContact O-CG 3.32Å; T359-N363 PolarHBondContact O-N 3.41Å; T359-N363 PolarHBondContact O-ND2 3.4Å; H360-N363 PolarHBondContact O-N 3.35Å; E361-N363 VanDerWaalsContact C-N 3.34Å; E361-N363 PolarHBondContact O-N 3.15Å; N363-R366 PolarHBondContact O-N 3.49Å; N363-R366 PolarHBondContact OD1-NH1 3.19Å; N363-K367 WeakPolarHBondContact O-CB 3.22Å; N363-K367 PolarHBondContact O-N 2.95Å |
| 364 | C | 90.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 93.8 Ų | 93.8 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 173.6 | -76.4 | 0 | 0 | 0 | 0 | 111.7 | H360 E361 R366 K367 S368 | H360-C364 VanDerWaalsContact CE1-SG 3.55Å; H360-C364 WeakPolarHBondContact O-CB 3.32Å; H360-C364 PolarHBondContact O-N 2.92Å; H360-C364 PolarHBondContact O-SG 2.99Å; H360-C364 VanDerWaalsContact O-SG 3.34Å; E361-C364 PolarHBondContact O-N 2.96Å; C364-R366 PolarHBondContact O-N 3.06Å; C364-K367 PolarHBondContact O-N 2.76Å; C364-S368 PolarHBondContact O-N 3.41Å |
| 365 | R | 92.4 | Very high | 91 | Very high | 168 Ų | 168 | 88.8 Ų | 88.8 | 63% | 0.634 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 175.4 | -71.6 | 178.2 | -171.7 | 170 | 7 | 111.5 | E361 I362 S368 K369 | E361-R365 WeakPolarHBondContact O-CG 3.34Å; E361-R365 PolarHBondContact O-N 3.48Å; I362-R365 PolarHBondContact O-N 3.36Å; R365-S368 PolarHBondContact O-N 2.91Å; R365-K369 WeakPolarHBondContact O-CG 3.45Å; R365-K369 PolarHBondContact O-N 3.48Å; R365-K369 VanDerWaalsContact O-N 3.12Å |
| 366 | R | 89.6 | Confident | 90.8 | Very high | 114 Ų | 114 | 91.3 Ų | 91.3 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 176.3 | -171.2 | -174.7 | -61.1 | 134.2 | 1.8 | 111.2 | Y218 I362 N363 C364 K369 Q370 | Y218-R366 HydrophobicContact CD2-CG 4.37Å; Y218-R366 HydrophobicContact CE2-CB 4.19Å; Y218-R366 HydrophobicContact CE2-CG 4.08Å; I362-R366 WeakPolarHBondContact O-CB 3.25Å; I362-R366 PolarHBondContact O-N 3.01Å; N363-R366 PolarHBondContact O-N 3.49Å; N363-R366 PolarHBondContact OD1-NH1 3.19Å; C364-R366 PolarHBondContact O-N 3.06Å; R366-K369 PolarHBondContact O-N 3.41Å; R366-Q370 WeakPolarHBondContact O-CB 3.49Å; R366-Q370 WeakPolarHBondContact O-CG 3.45Å; R366-Q370 PolarHBondContact O-N 3.04Å |
| 367 | K | 89.9 | Confident | 90.6 | Very high | 107 Ų | 107 | 87 Ų | 87 | 47% | 0.465 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.4 | -174.3 | 178.4 | 177.8 | -179.4 | 0 | 112.3 | Y218 N363 C364 Q370 L371 | Y218-K367 HydrophobicContact CD1-CB 4.46Å; Y218-K367 HydrophobicContact CD1-CD 4.4Å; Y218-K367 HydrophobicContact CD1-CG 4.22Å; Y218-K367 HydrophobicContact CD2-CB 3.86Å; Y218-K367 HydrophobicContact CD2-CG 4.27Å; Y218-K367 HydrophobicContact CE1-CB 4.48Å; Y218-K367 HydrophobicContact CE2-CB 3.86Å; Y218-K367 HydrophobicContact CG-CB 4.18Å; Y218-K367 HydrophobicContact CG-CG 4.08Å; N363-K367 WeakPolarHBondContact O-CB 3.22Å; N363-K367 PolarHBondContact O-N 2.95Å; C364-K367 PolarHBondContact O-N 2.76Å; K367-Q370 PolarHBondContact O-N 3.28Å; K367-L371 HydrophobicContact CD-CD1 4.44Å; K367-L371 HydrophobicContact CG-CD1 3.85Å; K367-L371 HydrophobicContact CG-CG 4.28Å; K367-L371 WeakPolarHBondContact O-CB 3.34Å; K367-L371 VanDerWaalsContact O-CG 3.27Å; K367-L371 WeakPolarHBondContact O-CG 3.46Å; K367-L371 PolarHBondContact O-N 2.96Å |
| 368 | S | 91 | Very high | 90.4 | Very high | 61 Ų | 61 | 88.3 Ų | 88.3 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -53.6 | 176.8 | -161.8 | 0 | 0 | 0 | 0 | 111.1 | C364 R365 Q370 L371 E372 | C364-S368 PolarHBondContact O-N 3.41Å; R365-S368 PolarHBondContact O-N 2.91Å; S368-Q370 VanDerWaalsContact C-N 3.32Å; S368-Q370 PolarHBondContact O-N 3.44Å; S368-L371 PolarHBondContact O-N 3.21Å; S368-L371 VanDerWaalsContact O-N 3.14Å; S368-E372 WeakPolarHBondContact O-CG 3.5Å; S368-E372 PolarHBondContact O-N 3.37Å; S368-E372 PolarHBondContact OG-OE1 2.89Å |
| 369 | K | 88.8 | Confident | 90.3 | Very high | 145 Ų | 145 | 90.9 Ų | 90.9 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57 | -43.7 | 179.2 | -71.4 | -177.7 | 175.5 | -168.4 | 0 | 112.5 | R365 R366 V373 | R365-K369 WeakPolarHBondContact O-CG 3.45Å; R365-K369 PolarHBondContact O-N 3.48Å; R365-K369 VanDerWaalsContact O-N 3.12Å; R366-K369 PolarHBondContact O-N 3.41Å; K369-V373 WeakPolarHBondContact O-CG2 3.39Å; K369-V373 PolarHBondContact O-N 2.95Å |
| 370 | Q | 89.3 | Confident | 90.3 | Very high | 18 Ų | 18 | 93 Ų | 93 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | 178.5 | -72.2 | -171.4 | -0.2 | 0 | 0 | 112.1 | L216 Y218 I219 R366 K367 S368 V373 A374 | L216-Q370 HydrophobicContact CD2-CG 4.01Å; Y218-Q370 VanDerWaalsContact CB-OE1 3.22Å; I219-Q370 HydrophobicContact CD1-CB 4.17Å; I219-Q370 WeakPolarHBondContact CD1-O 3.5Å; I219-Q370 HydrophobicContact CG1-CB 4.06Å; R366-Q370 WeakPolarHBondContact O-CB 3.49Å; R366-Q370 WeakPolarHBondContact O-CG 3.45Å; R366-Q370 PolarHBondContact O-N 3.04Å; K367-Q370 PolarHBondContact O-N 3.28Å; S368-Q370 VanDerWaalsContact C-N 3.32Å; S368-Q370 PolarHBondContact O-N 3.44Å; Q370-V373 PolarHBondContact O-N 3.01Å; Q370-A374 WeakPolarHBondContact O-CB 3.39Å; Q370-A374 PolarHBondContact O-N 3.25Å |
| 371 | L | 88.3 | Confident | 90.3 | Very high | 94 Ų | 94 | 93.2 Ų | 93.2 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -32.5 | 178 | -71.7 | 176.3 | 0 | 0 | 0 | 113.1 | K367 S368 A374 | K367-L371 HydrophobicContact CD-CD1 4.44Å; K367-L371 HydrophobicContact CG-CD1 3.85Å; K367-L371 HydrophobicContact CG-CG 4.28Å; K367-L371 WeakPolarHBondContact O-CB 3.34Å; K367-L371 VanDerWaalsContact O-CG 3.27Å; K367-L371 WeakPolarHBondContact O-CG 3.46Å; K367-L371 PolarHBondContact O-N 2.96Å; S368-L371 PolarHBondContact O-N 3.21Å; S368-L371 VanDerWaalsContact O-N 3.14Å; L371-A374 WeakPolarHBondContact O-CB 3.28Å; L371-A374 PolarHBondContact O-N 3.3Å |
| 372 | E | 87.2 | Confident | 90.5 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.1 | -52.3 | 171.2 | -73.5 | 158.6 | -147.4 | 0 | 0 | 110.3 | S368 A374 G375 | S368-E372 WeakPolarHBondContact O-CG 3.5Å; S368-E372 PolarHBondContact O-N 3.37Å; S368-E372 PolarHBondContact OG-OE1 2.89Å; E372-A374 VanDerWaalsContact C-N 3.31Å; E372-A374 PolarHBondContact O-N 3.33Å; E372-G375 PolarHBondContact O-N 2.88Å |
| 373 | V | 87.8 | Confident | 90.6 | Very high | 63 Ų | 63 | 95.4 Ų | 95.4 | 38% | 0.382 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -31.1 | 178 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | K369 Q370 G375 E376 L377 | K369-V373 WeakPolarHBondContact O-CG2 3.39Å; K369-V373 PolarHBondContact O-N 2.95Å; Q370-V373 PolarHBondContact O-N 3.01Å; V373-G375 PolarHBondContact O-N 3.35Å; V373-E376 PolarHBondContact O-N 3.41Å; V373-E376 VanDerWaalsContact O-N 3.12Å; V373-L377 HydrophobicContact CG1-CD1 3.87Å; V373-L377 HydrophobicContact CG1-CG 4.03Å; V373-L377 PolarHBondContact O-N 3.34Å |
| 374 | A | 88.7 | Confident | 90.9 | Very high | 11 Ų | 11 | 100.9 Ų | 100.9 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.5 | -33.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I219 Q370 L371 E372 K378 | I219-A374 HydrophobicContact CD1-CB 3.78Å; I219-A374 HydrophobicContact CG1-CB 3.98Å; I219-A374 HydrophobicContact CG2-CB 4.28Å; Q370-A374 WeakPolarHBondContact O-CB 3.39Å; Q370-A374 PolarHBondContact O-N 3.25Å; L371-A374 WeakPolarHBondContact O-CB 3.28Å; L371-A374 PolarHBondContact O-N 3.3Å; E372-A374 VanDerWaalsContact C-N 3.31Å; E372-A374 PolarHBondContact O-N 3.33Å; A374-K378 WeakPolarHBondContact O-CG 3.25Å; A374-K378 PolarHBondContact O-N 3.03Å |
| 375 | G | 88 | Confident | 91.1 | Very high | 34 Ų | 34 | 101.4 Ų | 101.4 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E372 V373 K378 Q379 | E372-G375 PolarHBondContact O-N 2.88Å; V373-G375 PolarHBondContact O-N 3.35Å; G375-K378 PolarHBondContact O-N 3.41Å; G375-Q379 WeakPolarHBondContact O-CG 3.43Å; G375-Q379 PolarHBondContact O-N 2.89Å; G375-Q379 VanDerWaalsContact O-N 3.16Å |
| 376 | E | 90.1 | Very high | 91.3 | Very high | 122 Ų | 122 | 96.3 Ų | 96.3 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 178.2 | -62.2 | -178.1 | 174.1 | 0 | 0 | 111.7 | V373 K378 Q379 L380 | V373-E376 PolarHBondContact O-N 3.41Å; V373-E376 VanDerWaalsContact O-N 3.12Å; E376-K378 PolarHBondContact O-N 2.91Å; E376-Q379 WeakPolarHBondContact O-CB 3.36Å; E376-Q379 PolarHBondContact O-N 3.42Å; E376-Q379 VanDerWaalsContact O-N 3.16Å; E376-L380 WeakPolarHBondContact O-CG 3.41Å; E376-L380 PolarHBondContact O-N 3.37Å |
| 377 | L | 89.5 | Confident | 91.6 | Very high | 71 Ų | 71 | 95.2 Ų | 95.2 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 176.7 | -79 | 170.1 | 0 | 0 | 0 | 112 | L216 I219 V373 Q379 L380 E381 | L216-L377 HydrophobicContact CD1-CD1 4.01Å; I219-L377 HydrophobicContact CD1-CD1 4.25Å; V373-L377 HydrophobicContact CG1-CD1 3.87Å; V373-L377 HydrophobicContact CG1-CG 4.03Å; V373-L377 PolarHBondContact O-N 3.34Å; L377-Q379 VanDerWaalsContact C-N 3.31Å; L377-Q379 PolarHBondContact O-N 2.72Å; L377-L380 PolarHBondContact O-N 3.4Å; L377-E381 WeakPolarHBondContact O-CB 3.36Å; L377-E381 PolarHBondContact O-N 2.99Å |
| 378 | K | 89.7 | Confident | 91.9 | Very high | 148 Ų | 148 | 93.2 Ų | 93.2 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -36.9 | 176.9 | -73.5 | 179.7 | -178.7 | -174.1 | 0 | 112.6 | A374 G375 E376 A382 | A374-K378 WeakPolarHBondContact O-CG 3.25Å; A374-K378 PolarHBondContact O-N 3.03Å; G375-K378 PolarHBondContact O-N 3.41Å; E376-K378 PolarHBondContact O-N 2.91Å; K378-A382 WeakPolarHBondContact O-CB 3.41Å; K378-A382 PolarHBondContact O-N 3.04Å |
| 379 | Q | 93.3 | Very high | 92.1 | Very high | 142 Ų | 142 | 93.5 Ų | 93.5 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | 175.8 | -72.1 | 176.1 | 12.9 | 0 | 0 | 111.6 | G375 E376 L377 A382 R383 | G375-Q379 WeakPolarHBondContact O-CG 3.43Å; G375-Q379 PolarHBondContact O-N 2.89Å; G375-Q379 VanDerWaalsContact O-N 3.16Å; E376-Q379 WeakPolarHBondContact O-CB 3.36Å; E376-Q379 PolarHBondContact O-N 3.42Å; E376-Q379 VanDerWaalsContact O-N 3.16Å; L377-Q379 VanDerWaalsContact C-N 3.31Å; L377-Q379 PolarHBondContact O-N 2.72Å; Q379-A382 PolarHBondContact O-N 2.86Å; Q379-R383 VanDerWaalsContact O-CB 3.32Å; Q379-R383 WeakPolarHBondContact O-CB 3.36Å; Q379-R383 PolarHBondContact O-N 3.34Å |
| 380 | L | 93.7 | Very high | 92.5 | Very high | 107 Ų | 107 | 92.5 Ų | 92.5 | 56% | 0.56 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 176.7 | -72.3 | 173.3 | 0 | 0 | 0 | 111.6 | E376 L377 R383 W384 | E376-L380 WeakPolarHBondContact O-CG 3.41Å; E376-L380 PolarHBondContact O-N 3.37Å; L377-L380 PolarHBondContact O-N 3.4Å; L380-R383 PolarHBondContact O-N 3.28Å; L380-W384 WeakPolarHBondContact O-CB 3.34Å; L380-W384 PolarHBondContact O-N 3.01Å |
| 381 | E | 93 | Very high | 92.7 | Very high | 129 Ų | 129 | 96 Ų | 96 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.3 | -49.1 | 174.5 | -173 | -178.6 | -171.6 | 0 | 0 | 111 | L377 R383 W384 V385 | L377-E381 WeakPolarHBondContact O-CB 3.36Å; L377-E381 PolarHBondContact O-N 2.99Å; E381-R383 VanDerWaalsContact C-N 3.31Å; E381-R383 PolarHBondContact O-N 3.45Å; E381-W384 PolarHBondContact O-N 3.04Å; E381-V385 WeakPolarHBondContact O-CG2 3.38Å; E381-V385 PolarHBondContact O-N 3.29Å |
| 382 | A | 95.1 | Very high | 93 | Very high | 62 Ų | 62 | 98.7 Ų | 98.7 | 51% | 0.512 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K378 Q379 A386 | K378-A382 WeakPolarHBondContact O-CB 3.41Å; K378-A382 PolarHBondContact O-N 3.04Å; Q379-A382 PolarHBondContact O-N 2.86Å; A382-A386 WeakPolarHBondContact O-CB 3.22Å; A382-A386 PolarHBondContact O-N 2.91Å |
| 383 | R | 96.4 | Very high | 93.5 | Very high | 175 Ų | 175 | 98.5 Ų | 98.5 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.1 | -40.4 | 176.6 | -172.2 | 177.7 | -177 | 173.3 | 0.9 | 111.7 | Q379 L380 E381 A386 L387 | Q379-R383 VanDerWaalsContact O-CB 3.32Å; Q379-R383 WeakPolarHBondContact O-CB 3.36Å; Q379-R383 PolarHBondContact O-N 3.34Å; L380-R383 PolarHBondContact O-N 3.28Å; E381-R383 VanDerWaalsContact C-N 3.31Å; E381-R383 PolarHBondContact O-N 3.45Å; R383-A386 PolarHBondContact O-N 3.18Å; R383-L387 HydrophobicContact CG-CD1 4.33Å; R383-L387 VanDerWaalsContact O-CG 3.31Å; R383-L387 WeakPolarHBondContact O-CG 3.18Å; R383-L387 PolarHBondContact O-N 3.17Å |
| 384 | W | 96.1 | Very high | 93.8 | Very high | 167 Ų | 167 | 99.6 Ų | 99.6 | 63% | 0.633 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -48.4 | 176.5 | 176.6 | 82.3 | 0 | 0 | 0 | 111.1 | L380 E381 A386 L387 V388 | L380-W384 WeakPolarHBondContact O-CB 3.34Å; L380-W384 PolarHBondContact O-N 3.01Å; E381-W384 PolarHBondContact O-N 3.04Å; W384-A386 VanDerWaalsContact C-N 3.31Å; W384-A386 PolarHBondContact O-N 2.88Å; W384-L387 PolarHBondContact O-N 2.98Å; W384-L387 VanDerWaalsContact O-N 3.14Å; W384-V388 HydrophobicContact CD2-CG2 4.03Å; W384-V388 HydrophobicContact CG-CG2 4.47Å; W384-V388 HydrophobicContact CH2-CG2 4.34Å; W384-V388 HydrophobicContact CZ2-CG2 3.8Å; W384-V388 WeakPolarHBondContact O-CG2 3.46Å; W384-V388 PolarHBondContact O-N 3.18Å |
| 385 | V | 95.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 105.5 Ų | 105.5 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | E381 L387 V388 T389 | E381-V385 WeakPolarHBondContact O-CG2 3.38Å; E381-V385 PolarHBondContact O-N 3.29Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.96Å; V385-V388 PolarHBondContact O-N 3.44Å; V385-T389 WeakPolarHBondContact O-CB 3.41Å; V385-T389 PolarHBondContact O-N 2.92Å; V385-T389 PolarHBondContact O-OG1 3.33Å |
| 386 | A | 96 | Very high | 94.4 | Very high | 61 Ų | 61 | 109.6 Ų | 109.6 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A382 R383 W384 K390 | A382-A386 WeakPolarHBondContact O-CB 3.22Å; A382-A386 PolarHBondContact O-N 2.91Å; R383-A386 PolarHBondContact O-N 3.18Å; W384-A386 VanDerWaalsContact C-N 3.31Å; W384-A386 PolarHBondContact O-N 2.88Å; A386-K390 VanDerWaalsContact O-CB 3.3Å; A386-K390 WeakPolarHBondContact O-CB 3.39Å; A386-K390 PolarHBondContact O-N 3.29Å |
| 387 | L | 96 | Very high | 94.7 | Very high | 91 Ų | 91 | 106 Ų | 106 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 176.3 | -74.1 | 171.8 | 0 | 0 | 0 | 112 | R383 W384 V385 K390 N391 | R383-L387 HydrophobicContact CG-CD1 4.33Å; R383-L387 VanDerWaalsContact O-CG 3.31Å; R383-L387 WeakPolarHBondContact O-CG 3.18Å; R383-L387 PolarHBondContact O-N 3.17Å; W384-L387 PolarHBondContact O-N 2.98Å; W384-L387 VanDerWaalsContact O-N 3.14Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.96Å; L387-K390 PolarHBondContact O-N 3.07Å; L387-N391 WeakPolarHBondContact O-CB 3.41Å; L387-N391 VanDerWaalsContact O-CG 3.28Å; L387-N391 PolarHBondContact O-N 3.11Å |
| 388 | V | 95.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 105.9 Ų | 105.9 | 39% | 0.394 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | W384 V385 K390 N391 Y392 | W384-V388 HydrophobicContact CD2-CG2 4.03Å; W384-V388 HydrophobicContact CG-CG2 4.47Å; W384-V388 HydrophobicContact CH2-CG2 4.34Å; W384-V388 HydrophobicContact CZ2-CG2 3.8Å; W384-V388 WeakPolarHBondContact O-CG2 3.46Å; W384-V388 PolarHBondContact O-N 3.18Å; V385-V388 PolarHBondContact O-N 3.44Å; V388-K390 VanDerWaalsContact C-N 3.35Å; V388-K390 PolarHBondContact O-N 3.35Å; V388-N391 PolarHBondContact O-N 3.04Å; V388-Y392 WeakPolarHBondContact O-CB 3.3Å; V388-Y392 PolarHBondContact O-N 3.39Å |
| 389 | T | 95.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 101.7 Ų | 101.7 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | V385 N391 Y392 E393 | V385-T389 WeakPolarHBondContact O-CB 3.41Å; V385-T389 PolarHBondContact O-N 2.92Å; V385-T389 PolarHBondContact O-OG1 3.33Å; T389-N391 PolarHBondContact O-N 3.15Å; T389-Y392 WeakPolarHBondContact O-CB 3.41Å; T389-Y392 PolarHBondContact O-N 2.97Å; T389-E393 WeakPolarHBondContact O-CG 3.46Å; T389-E393 PolarHBondContact O-N 2.76Å |
| 390 | K | 96.1 | Very high | 95.1 | Very high | 124 Ų | 124 | 98.6 Ų | 98.6 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 177.6 | -173.3 | 176.5 | -177.2 | 177.7 | 0 | 112.5 | A386 L387 V388 Y392 E393 I394 | A386-K390 VanDerWaalsContact O-CB 3.3Å; A386-K390 WeakPolarHBondContact O-CB 3.39Å; A386-K390 PolarHBondContact O-N 3.29Å; L387-K390 PolarHBondContact O-N 3.07Å; V388-K390 VanDerWaalsContact C-N 3.35Å; V388-K390 PolarHBondContact O-N 3.35Å; K390-Y392 VanDerWaalsContact C-N 3.34Å; K390-E393 PolarHBondContact O-N 3.19Å; K390-I394 HydrophobicContact CG-CD1 4.01Å; K390-I394 WeakPolarHBondContact O-CD1 3.4Å; K390-I394 VanDerWaalsContact O-CG1 3.24Å; K390-I394 WeakPolarHBondContact O-CG1 3.34Å; K390-I394 PolarHBondContact O-N 3.39Å |
| 391 | N | 94.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 98.3 Ų | 98.3 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.2 | -74.2 | -10 | 0 | 0 | 0 | 111 | L387 V388 T389 E393 I394 E395 | L387-N391 WeakPolarHBondContact O-CB 3.41Å; L387-N391 VanDerWaalsContact O-CG 3.28Å; L387-N391 PolarHBondContact O-N 3.11Å; V388-N391 PolarHBondContact O-N 3.04Å; T389-N391 PolarHBondContact O-N 3.15Å; N391-E393 PolarHBondContact O-N 3.38Å; N391-I394 PolarHBondContact O-N 2.94Å; N391-E395 WeakPolarHBondContact O-CG 3.43Å; N391-E395 PolarHBondContact O-N 3.49Å |
| 392 | Y | 94.9 | Very high | 95.2 | Very high | 150 Ų | 150 | 96 Ų | 96 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 175.2 | 178.2 | -99.8 | 0 | 0 | 0 | 112.4 | V388 T389 K390 I394 E395 K396 | V388-Y392 WeakPolarHBondContact O-CB 3.3Å; V388-Y392 PolarHBondContact O-N 3.39Å; T389-Y392 WeakPolarHBondContact O-CB 3.41Å; T389-Y392 PolarHBondContact O-N 2.97Å; K390-Y392 VanDerWaalsContact C-N 3.34Å; Y392-I394 VanDerWaalsContact C-N 3.34Å; Y392-I394 PolarHBondContact O-N 3.24Å; Y392-E395 PolarHBondContact O-N 2.96Å; Y392-K396 WeakPolarHBondContact O-CB 3.23Å; Y392-K396 PolarHBondContact O-N 3.17Å |
| 393 | E | 96.2 | Very high | 95 | Very high | 117 Ų | 117 | 97.1 Ų | 97.1 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.2 | -73.6 | 171.6 | -179.3 | 0 | 0 | 112.3 | T389 K390 N391 A397 | T389-E393 WeakPolarHBondContact O-CG 3.46Å; T389-E393 PolarHBondContact O-N 2.76Å; K390-E393 PolarHBondContact O-N 3.19Å; N391-E393 PolarHBondContact O-N 3.38Å; E393-A397 WeakPolarHBondContact O-CB 3.5Å; E393-A397 PolarHBondContact O-N 3.03Å |
| 394 | I | 95.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 93.6 Ų | 93.6 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -46.6 | 176.6 | -68.2 | 164.2 | 0 | 0 | 0 | 110.7 | K390 N391 Y392 K396 A397 C398 | K390-I394 HydrophobicContact CG-CD1 4.01Å; K390-I394 WeakPolarHBondContact O-CD1 3.4Å; K390-I394 VanDerWaalsContact O-CG1 3.24Å; K390-I394 WeakPolarHBondContact O-CG1 3.34Å; K390-I394 PolarHBondContact O-N 3.39Å; N391-I394 PolarHBondContact O-N 2.94Å; Y392-I394 VanDerWaalsContact C-N 3.34Å; Y392-I394 PolarHBondContact O-N 3.24Å; I394-K396 VanDerWaalsContact C-N 3.3Å; I394-K396 PolarHBondContact O-N 3.36Å; I394-A397 PolarHBondContact O-N 2.97Å; I394-C398 WeakPolarHBondContact O-CB 3.33Å; I394-C398 PolarHBondContact O-N 3.3Å; I394-C398 PolarHBondContact O-SG 3.09Å |
| 395 | E | 94.4 | Very high | 94.5 | Very high | 136 Ų | 136 | 89 Ų | 89 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.3 | -43.4 | 177.8 | -76.4 | 177.2 | 178.3 | 0 | 0 | 111.5 | N391 Y392 C398 S399 | N391-E395 WeakPolarHBondContact O-CG 3.43Å; N391-E395 PolarHBondContact O-N 3.49Å; Y392-E395 PolarHBondContact O-N 2.96Å; E395-C398 PolarHBondContact O-N 2.71Å; E395-S399 PolarHBondContact O-N 3.08Å |
| 396 | K | 95.3 | Very high | 94.2 | Very high | 119 Ų | 119 | 87.6 Ų | 87.6 | 52% | 0.517 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175 | -173.1 | 179.5 | 177.7 | -176.7 | 0 | 111.6 | Y392 I394 C398 S399 D400 | Y392-K396 WeakPolarHBondContact O-CB 3.23Å; Y392-K396 PolarHBondContact O-N 3.17Å; I394-K396 VanDerWaalsContact C-N 3.3Å; I394-K396 PolarHBondContact O-N 3.36Å; K396-C398 VanDerWaalsContact C-N 3.34Å; K396-C398 PolarHBondContact O-N 3.41Å; K396-S399 WeakPolarHBondContact O-CB 3.41Å; K396-S399 PolarHBondContact O-N 3.17Å; K396-D400 VanDerWaalsContact O-CG 3.3Å; K396-D400 PolarHBondContact O-N 2.97Å |
| 397 | A | 95.7 | Very high | 93.8 | Very high | 46 Ų | 46 | 91 Ų | 91 | 38% | 0.38 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E393 I394 D400 L401 | E393-A397 WeakPolarHBondContact O-CB 3.5Å; E393-A397 PolarHBondContact O-N 3.03Å; I394-A397 PolarHBondContact O-N 2.97Å; A397-D400 PolarHBondContact O-N 3.29Å; A397-L401 WeakPolarHBondContact O-CB 3.5Å; A397-L401 VanDerWaalsContact O-CG 3.25Å; A397-L401 WeakPolarHBondContact O-CG 3.45Å; A397-L401 PolarHBondContact O-N 2.89Å |
| 398 | C | 93.7 | Very high | 93.5 | Very high | 70 Ų | 70 | 91.7 Ų | 91.7 | 47% | 0.473 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 174 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | I394 E395 K396 L401 T402 | I394-C398 WeakPolarHBondContact O-CB 3.33Å; I394-C398 PolarHBondContact O-N 3.3Å; I394-C398 PolarHBondContact O-SG 3.09Å; E395-C398 PolarHBondContact O-N 2.71Å; K396-C398 VanDerWaalsContact C-N 3.34Å; K396-C398 PolarHBondContact O-N 3.41Å; C398-L401 PolarHBondContact O-N 3.31Å; C398-T402 WeakPolarHBondContact O-CG2 3.21Å; C398-T402 PolarHBondContact O-N 3.5Å; C398-T402 PolarHBondContact O-OG1 3.47Å |
| 399 | S | 93.6 | Very high | 93 | Very high | 60 Ų | 60 | 94.7 Ų | 94.7 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 175.6 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | E395 K396 L401 T402 D403 | E395-S399 PolarHBondContact O-N 3.08Å; K396-S399 WeakPolarHBondContact O-CB 3.41Å; K396-S399 PolarHBondContact O-N 3.17Å; S399-L401 VanDerWaalsContact C-N 3.28Å; S399-L401 PolarHBondContact O-N 2.9Å; S399-T402 VanDerWaalsContact CA-OG1 3.31Å; S399-T402 WeakPolarHBondContact CA-OG1 3.42Å; S399-T402 PolarHBondContact O-N 2.88Å; S399-T402 PolarHBondContact O-OG1 3.25Å; S399-D403 PolarHBondContact O-N 2.92Å |
| 400 | D | 94.5 | Very high | 92.5 | Very high | 77 Ų | 77 | 96 Ų | 96 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 178 | -67.2 | -19.7 | 0 | 0 | 0 | 111 | K396 A397 Q404 | K396-D400 VanDerWaalsContact O-CG 3.3Å; K396-D400 PolarHBondContact O-N 2.97Å; A397-D400 PolarHBondContact O-N 3.29Å; D400-Q404 VanDerWaalsContact O-CG 3.22Å; D400-Q404 WeakPolarHBondContact O-CG 3.37Å; D400-Q404 PolarHBondContact O-N 3.46Å |
| 401 | L | 93.6 | Very high | 92 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 175.4 | -75.8 | 171.2 | 0 | 0 | 0 | 112.4 | A397 C398 S399 D403 Q404 T405 | A397-L401 WeakPolarHBondContact O-CB 3.5Å; A397-L401 VanDerWaalsContact O-CG 3.25Å; A397-L401 WeakPolarHBondContact O-CG 3.45Å; A397-L401 PolarHBondContact O-N 2.89Å; C398-L401 PolarHBondContact O-N 3.31Å; S399-L401 VanDerWaalsContact C-N 3.28Å; S399-L401 PolarHBondContact O-N 2.9Å; L401-D403 VanDerWaalsContact C-N 3.31Å; L401-D403 PolarHBondContact O-N 2.94Å; L401-Q404 PolarHBondContact O-N 3.39Å; L401-T405 WeakPolarHBondContact O-CG2 3.35Å; L401-T405 PolarHBondContact O-N 3.47Å; L401-T405 PolarHBondContact O-OG1 3.44Å |
| 402 | T | 93.5 | Very high | 91.3 | Very high | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.2 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | C398 S399 T405 A406 | C398-T402 WeakPolarHBondContact O-CG2 3.21Å; C398-T402 PolarHBondContact O-N 3.5Å; C398-T402 PolarHBondContact O-OG1 3.47Å; S399-T402 VanDerWaalsContact CA-OG1 3.31Å; S399-T402 WeakPolarHBondContact CA-OG1 3.42Å; S399-T402 PolarHBondContact O-N 2.88Å; S399-T402 PolarHBondContact O-OG1 3.25Å; T402-T405 WeakPolarHBondContact CA-OG1 3Å; T402-T405 PolarHBondContact O-N 3.41Å; T402-T405 PolarHBondContact O-OG1 2.89Å; T402-A406 VanDerWaalsContact O-CB 3.32Å; T402-A406 WeakPolarHBondContact O-CB 3.25Å; T402-A406 PolarHBondContact O-N 3.31Å |
| 403 | D | 91.8 | Very high | 90.5 | Very high | 87 Ų | 87 | 89.9 Ų | 89.9 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 174.9 | -71.1 | -17.9 | 0 | 0 | 0 | 110.7 | S399 L401 A406 Q407 | S399-D403 PolarHBondContact O-N 2.92Å; L401-D403 VanDerWaalsContact C-N 3.31Å; L401-D403 PolarHBondContact O-N 2.94Å; D403-A406 PolarHBondContact O-N 3.29Å; D403-Q407 WeakPolarHBondContact O-CB 3.25Å; D403-Q407 WeakPolarHBondContact O-CG 3.43Å; D403-Q407 PolarHBondContact O-N 3.48Å |
| 404 | Q | 91.8 | Very high | 89.2 | Confident | 100 Ų | 100 | 91.1 Ų | 91.1 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.6 | -73.5 | 169.6 | 25.1 | 0 | 0 | 112.3 | D400 L401 Q407 I408 | D400-Q404 VanDerWaalsContact O-CG 3.22Å; D400-Q404 WeakPolarHBondContact O-CG 3.37Å; D400-Q404 PolarHBondContact O-N 3.46Å; L401-Q404 PolarHBondContact O-N 3.39Å; Q404-Q407 PolarHBondContact O-N 3.06Å; Q404-I408 VanDerWaalsContact O-CG1 3.25Å; Q404-I408 WeakPolarHBondContact O-CG1 3.34Å; Q404-I408 PolarHBondContact O-N 2.83Å |
| 405 | T | 89.5 | Confident | 87.8 | Confident | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.4 | 52 | 0 | 0 | 0 | 0 | 111.4 | L401 T402 Q407 I408 E409 | L401-T405 WeakPolarHBondContact O-CG2 3.35Å; L401-T405 PolarHBondContact O-N 3.47Å; L401-T405 PolarHBondContact O-OG1 3.44Å; T402-T405 WeakPolarHBondContact CA-OG1 3Å; T402-T405 PolarHBondContact O-N 3.41Å; T402-T405 PolarHBondContact O-OG1 2.89Å; T405-Q407 VanDerWaalsContact C-N 3.33Å; T405-Q407 PolarHBondContact O-N 2.97Å; T405-I408 PolarHBondContact O-N 2.98Å; T405-E409 WeakPolarHBondContact O-CB 3.45Å; T405-E409 WeakPolarHBondContact O-CG 3.45Å; T405-E409 PolarHBondContact O-N 3Å |
| 406 | A | 89.8 | Confident | 86 | Confident | 41 Ų | 41 | 95 Ų | 95 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T402 D403 N410 | T402-A406 VanDerWaalsContact O-CB 3.32Å; T402-A406 WeakPolarHBondContact O-CB 3.25Å; T402-A406 PolarHBondContact O-N 3.31Å; D403-A406 PolarHBondContact O-N 3.29Å; A406-N410 VanDerWaalsContact O-CB 3.32Å; A406-N410 WeakPolarHBondContact O-CB 3.42Å; A406-N410 PolarHBondContact O-N 3.33Å; A406-N410 PolarHBondContact O-ND2 3.48Å |
| 407 | Q | 88.8 | Confident | 84 | Confident | 134 Ų | 134 | 94.1 Ų | 94.1 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 173.1 | -74.4 | 169.7 | 26.7 | 0 | 0 | 112 | D403 Q404 T405 A411 | D403-Q407 WeakPolarHBondContact O-CB 3.25Å; D403-Q407 WeakPolarHBondContact O-CG 3.43Å; D403-Q407 PolarHBondContact O-N 3.48Å; Q404-Q407 PolarHBondContact O-N 3.06Å; T405-Q407 VanDerWaalsContact C-N 3.33Å; T405-Q407 PolarHBondContact O-N 2.97Å; Q407-A411 WeakPolarHBondContact O-CB 3.39Å; Q407-A411 PolarHBondContact O-N 3.3Å |
| 408 | I | 88.2 | Confident | 81.9 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 178.2 | -67.6 | 164.8 | 0 | 0 | 0 | 111 | Q404 T405 N410 A411 L412 | Q404-I408 VanDerWaalsContact O-CG1 3.25Å; Q404-I408 WeakPolarHBondContact O-CG1 3.34Å; Q404-I408 PolarHBondContact O-N 2.83Å; T405-I408 PolarHBondContact O-N 2.98Å; I408-N410 VanDerWaalsContact C-N 3.34Å; I408-N410 PolarHBondContact O-N 2.81Å; I408-A411 PolarHBondContact O-N 2.84Å; I408-A411 VanDerWaalsContact O-N 3.17Å; I408-L412 HydrophobicContact CG2-CD1 4.47Å; I408-L412 PolarHBondContact O-N 3.12Å |
| 409 | E | 86.6 | Confident | 79.7 | Confident | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 176.3 | -75.6 | 178.1 | 172.9 | 0 | 0 | 111.7 | T405 L412 N413 | T405-E409 WeakPolarHBondContact O-CB 3.45Å; T405-E409 WeakPolarHBondContact O-CG 3.45Å; T405-E409 PolarHBondContact O-N 3Å; E409-L412 PolarHBondContact O-N 3.29Å; E409-N413 WeakPolarHBondContact O-CB 3.44Å; E409-N413 PolarHBondContact O-N 3.14Å; E409-N413 PolarHBondContact O-ND2 3.44Å |
| 410 | N | 84.4 | Confident | 77.1 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 174.2 | -75.1 | -33.9 | 0 | 0 | 0 | 112.4 | A406 I408 Q414 | A406-N410 VanDerWaalsContact O-CB 3.32Å; A406-N410 WeakPolarHBondContact O-CB 3.42Å; A406-N410 PolarHBondContact O-N 3.33Å; A406-N410 PolarHBondContact O-ND2 3.48Å; I408-N410 VanDerWaalsContact C-N 3.34Å; I408-N410 PolarHBondContact O-N 2.81Å; N410-Q414 VanDerWaalsContact O-CG 3.29Å; N410-Q414 WeakPolarHBondContact O-CG 3.46Å; N410-Q414 PolarHBondContact O-N 3.25Å; N410-Q414 VanDerWaalsContact O-N 3.11Å |
| 411 | A | 85.7 | Confident | 74.4 | Confident | 47 Ų | 47 | 116.5 Ų | 116.5 | 39% | 0.388 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.3 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q407 I408 Q414 Q415 | Q407-A411 WeakPolarHBondContact O-CB 3.39Å; Q407-A411 PolarHBondContact O-N 3.3Å; I408-A411 PolarHBondContact O-N 2.84Å; I408-A411 VanDerWaalsContact O-N 3.17Å; A411-Q414 PolarHBondContact O-N 3.08Å; A411-Q415 WeakPolarHBondContact O-CG 3.43Å; A411-Q415 PolarHBondContact O-N 2.95Å |
| 412 | L | 80 | Confident | 73.4 | Confident | 91 Ų | 91 | 117.3 Ų | 117.3 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.4 | -45 | 176.2 | -127.3 | 123.5 | 0 | 0 | 0 | 111.1 | I408 E409 Q414 Q415 E416 | I408-L412 HydrophobicContact CG2-CD1 4.47Å; I408-L412 PolarHBondContact O-N 3.12Å; E409-L412 PolarHBondContact O-N 3.29Å; L412-Q414 VanDerWaalsContact C-N 3.27Å; L412-Q414 PolarHBondContact O-N 2.96Å; L412-Q415 PolarHBondContact O-N 2.8Å; L412-E416 PolarHBondContact O-N 2.75Å |
| 413 | N | 77.8 | Confident | 72.4 | Confident | 99 Ų | 99 | 119.3 Ų | 119.3 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.5 | -32.8 | 175.5 | -78.1 | -22.2 | 0 | 0 | 0 | 112.9 | E409 | E409-N413 WeakPolarHBondContact O-CB 3.44Å; E409-N413 PolarHBondContact O-N 3.14Å; E409-N413 PolarHBondContact O-ND2 3.44Å |
| 414 | Q | 70.5 | Confident | 71.3 | Confident | 143 Ų | 143 | 121.1 Ų | 121.1 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.3 | -25.9 | 174.3 | -74 | 174.1 | 16.1 | 0 | 0 | 113.3 | N410 A411 L412 T417 | N410-Q414 VanDerWaalsContact O-CG 3.29Å; N410-Q414 WeakPolarHBondContact O-CG 3.46Å; N410-Q414 PolarHBondContact O-N 3.25Å; N410-Q414 VanDerWaalsContact O-N 3.11Å; A411-Q414 PolarHBondContact O-N 3.08Å; L412-Q414 VanDerWaalsContact C-N 3.27Å; L412-Q414 PolarHBondContact O-N 2.96Å; Q414-T417 PolarHBondContact O-OG1 3.49Å |
| 415 | Q | 63.9 | Low | 70.1 | Confident | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.5 | -29 | 173.8 | -71.7 | -178.1 | 1.1 | 0 | 0 | 112.2 | A411 L412 T417 | A411-Q415 WeakPolarHBondContact O-CG 3.43Å; A411-Q415 PolarHBondContact O-N 2.95Å; L412-Q415 PolarHBondContact O-N 2.8Å; Q415-T417 VanDerWaalsContact C-N 3.29Å; Q415-T417 PolarHBondContact O-N 2.91Å |
| 416 | E | 57.9 | Low | 68.9 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -79.1 | -4.9 | 177.4 | -72.8 | -171.6 | 171 | 0 | 0 | 114.1 | L412 P418 | L412-E416 PolarHBondContact O-N 2.75Å; E416-P418 WeakPolarHBondContact O-CD 3.4Å |
| 417 | T | 52.3 | Low | 67.5 | Low | 101 Ų | 101 | 131.1 Ų | 131.1 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | trans | -86.1 | 104.3 | 168.7 | 48.6 | 0 | 0 | 0 | 0 | 111 | Q414 Q415 | Q414-T417 PolarHBondContact O-OG1 3.49Å; Q415-T417 VanDerWaalsContact C-N 3.29Å; Q415-T417 PolarHBondContact O-N 2.91Å | ||
| 418 | P | 51.2 | Low | 66 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 68% | 0.68 | S | S | * | * | trans | -83.7 | 134.5 | 177 | -2.8 | 25.3 | 0 | 0 | 0 | 110.2 | E416 | E416-P418 WeakPolarHBondContact O-CD 3.4Š| ||
| 419 | M | 48 | Very low | 64.2 | Low | 167 Ų | 167 | 132.9 Ų | 132.9 | 82% | 0.823 | 69% | 0.691 | S | S | * | * | trans | -60.2 | 135.8 | 170 | -80.2 | 179.5 | -69.9 | 0 | 0 | 113 | ||||
| 420 | E | 40.2 | Very low | 62.4 | Low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | 70.2 | 122.4 | 150.4 | -60.7 | 171.2 | 179.7 | 0 | 0 | 117 | ||||
| 421 | L | 36.7 | Very low | 60.4 | Low | 251 Ų | 251 | 136.8 Ų | 136.8 | 100% | 1.314 | 72% | 0.716 | S | S | * | * | cis | -130.1 | 0 | 36.8 | -89.3 | 152.3 | 0 | 0 | 0 | 114.3 |
Retrieved 421 of 421 residues in 282.9 ms
(Link to these results)