| 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 | 38 | Very low | 45.2 | Very low | 241 Ų | 241 | 139.9 Ų | 139.9 | 100% | 1.187 | 78% | 0.782 | S | S | * | * | 0 | 89.9 | 0 | -76.3 | 171.8 | 174.7 | 0 | 0 | 106.9 | |||||
| 2 | S | 37.4 | Very low | 46.3 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 116.7 | 163.3 | 47.6 | 0 | 0 | 0 | 0 | 106 | G4 | S2-G4 PolarHBondContact O-N 2.85Å; S2-G4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | I | 41.5 | Very low | 47.6 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -62.6 | 112.3 | 166.6 | -63.6 | 167.3 | 0 | 0 | 0 | 104.2 | ||||
| 4 | G | 40.6 | Very low | 48.9 | Very low | 52 Ų | 52 | 142.1 Ų | 142.1 | 54% | 0.536 | 78% | 0.783 | S | S | . | * | trans | -65.6 | 137.4 | 180 | 0 | 0 | 0 | 0 | 0 | 109.5 | S2 E6 | S2-G4 PolarHBondContact O-N 2.85Å; S2-G4 VanDerWaalsContact O-N 3.1Å; G4-E6 PolarHBondContact O-N 3.32Å | ||
| 5 | D | 45.2 | Very low | 50.9 | Low | 155 Ų | 155 | 146.7 Ų | 146.7 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -67.9 | 43.3 | 175.1 | -67.3 | -50.6 | 0 | 0 | 0 | 112.4 | D7 | D5-D7 VanDerWaalsContact C-N 3.31Š|
| 6 | E | 44.9 | Very low | 52.9 | Low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -10.2 | 176 | -78.9 | -173.5 | 168.1 | 0 | 0 | 113.1 | G4 | G4-E6 PolarHBondContact O-N 3.32Š|
| 7 | D | 46.4 | Very low | 54.8 | Low | 135 Ų | 135 | 152.7 Ų | 152.7 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -2.7 | 178 | -73.1 | -33.9 | 0 | 0 | 0 | 114 | D5 D9 | D5-D7 VanDerWaalsContact C-N 3.31Å; D7-D9 VanDerWaalsContact C-N 3.34Å; D7-D9 PolarHBondContact O-N 3.45Å |
| 8 | A | 51.8 | Low | 56.6 | Low | 67 Ų | 67 | 150.7 Ų | 150.7 | 55% | 0.554 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -22.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 9 | D | 47.9 | Very low | 58.1 | Low | 149 Ų | 149 | 147.6 Ų | 147.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -0.7 | -175.2 | -77.5 | -17.5 | 0 | 0 | 0 | 114.4 | D7 L11 | D7-D9 VanDerWaalsContact C-N 3.34Å; D7-D9 PolarHBondContact O-N 3.45Å; D9-L11 PolarHBondContact O-N 2.8Å |
| 10 | N | 49.8 | Very low | 59.6 | Low | 133 Ų | 133 | 147.5 Ų | 147.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -81 | 55.7 | 167.6 | -79.5 | -34.6 | 0 | 0 | 0 | 110.9 | L12 | N10-L12 PolarHBondContact O-N 3.21Š| ||
| 11 | L | 54.1 | Low | 61 | Low | 149 Ų | 149 | 146 Ų | 146 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -58.7 | 109.3 | 162.6 | -82.1 | 154.7 | 0 | 0 | 0 | 107.1 | D9 P13 | D9-L11 PolarHBondContact O-N 2.8Å; L11-P13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | L | 57.6 | Low | 63.4 | Low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -47.2 | 123.9 | 170.9 | -74.6 | 165.9 | 0 | 0 | 0 | 107.7 | N10 E14 | N10-L12 PolarHBondContact O-N 3.21Å; L12-E14 PolarHBondContact O-N 3.18Å | ||
| 13 | P | 63.5 | Low | 65.8 | Low | 89 Ų | 89 | 136.6 Ų | 136.6 | 58% | 0.578 | 71% | 0.708 | S | S | * | * | trans | -56.8 | 133.3 | -178 | 19.5 | -30.3 | 0 | 0 | 0 | 109.6 | L11 R15 | L11-P13 VanDerWaalsContact O-N 3.13Å; P13-R15 WeakPolarHBondContact O-CG 3.31Å; P13-R15 PolarHBondContact O-N 3.12Å | ||
| 14 | E | 66.3 | Low | 68.1 | Low | 199 Ų | 199 | 130 Ų | 130 | 93% | 0.93 | 67% | 0.673 | S | S | * | * | trans | -58.5 | 103.7 | 177.8 | -73.9 | -173.7 | 171.8 | 0 | 0 | 109.8 | L12 | L12-E14 PolarHBondContact O-N 3.18Š| ||
| 15 | R | 79.2 | Confident | 70.4 | Confident | 211 Ų | 211 | 129.3 Ų | 129.3 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | trans | -103.7 | 121.9 | 178 | -71.9 | 178.5 | -175.9 | -171.1 | 1.2 | 109.5 | P13 | P13-R15 WeakPolarHBondContact O-CG 3.31Å; P13-R15 PolarHBondContact O-N 3.12Å | ||
| 16 | K | 81.8 | Confident | 72.2 | Confident | 210 Ų | 210 | 122.7 Ų | 122.7 | 91% | 0.913 | 62% | 0.621 | S | S | * | * | trans | -86.4 | 136.4 | 165.3 | -64.3 | -176.8 | -178.5 | 179.4 | 0 | 108.6 | ||||
| 17 | Y | 86.2 | Confident | 74 | Confident | 185 Ų | 185 | 115.5 Ų | 115.5 | 73% | 0.725 | 59% | 0.589 | S | S | * | * | trans | -135.7 | 153.1 | 174.4 | 72.4 | -78.6 | 0 | 0 | 0 | 109.5 | V19 | Y17-V19 HydrophobicContact CD2-CG2 3.51Å; Y17-V19 HydrophobicContact CE2-CG2 3.41Å; Y17-V19 VanDerWaalsContact CE2-CG2 3.41Å | ||
| 18 | S | 85.8 | Confident | 76 | Confident | 116 Ų | 116 | 112.2 Ų | 112.2 | 81% | 0.811 | 57% | 0.568 | S | S | * | * | trans | -121.9 | 133.7 | 175.6 | -174 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 19 | V | 85.4 | Confident | 77.7 | Confident | 93 Ų | 93 | 111.9 Ų | 111.9 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | trans | -118.8 | 118.4 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | Y17 R21 | Y17-V19 HydrophobicContact CD2-CG2 3.51Å; Y17-V19 HydrophobicContact CE2-CG2 3.41Å; Y17-V19 VanDerWaalsContact CE2-CG2 3.41Å; V19-R21 HydrophobicContact CG1-CB 4.42Å; V19-R21 HydrophobicContact CG1-CG 4.26Å | ||
| 20 | T | 88.8 | Confident | 79.3 | Confident | 144 Ų | 144 | 107.2 Ų | 107.2 | 88% | 0.883 | 53% | 0.529 | S | S | * | . | trans | -99.8 | 114.6 | 169.9 | -52.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | R | 88.8 | Confident | 81.1 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | trans | -145.5 | 161.2 | 174.8 | 65.2 | 172.1 | -174.9 | 79.6 | -5.1 | 110.5 | V19 S714 D717 | V19-R21 HydrophobicContact CG1-CB 4.42Å; V19-R21 HydrophobicContact CG1-CG 4.26Å; R21-S714 PolarHBondContact NH2-OG 2.66Å; R21-D717 IonicContact CZ-OD1 2.66Å; R21-D717 VanDerWaalsContact CZ-OD1 3.29Å; R21-D717 IonicContact CZ-OD2 3.29Å; R21-D717 VanDerWaalsContact NH1-CG 3.34Å; R21-D717 IonicContact NH1-OD1 3.77Å; R21-D717 PolarHBondContact NH1-OD1 3.2Å; R21-D717 IonicContact NH1-OD2 3.47Å; R21-D717 PolarHBondContact NH1-OD2 2.72Å; R21-D717 VanDerWaalsContact NH2-CG 3.27Å; R21-D717 IonicContact NH2-OD1 3.06Å; R21-D717 PolarHBondContact NH2-OD1 3.33Å; R21-D717 IonicContact NH2-OD2 2.72Å; R21-D717 PolarHBondContact NH2-OD2 3.21Å | ||
| 22 | E | 87.9 | Confident | 82.7 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | trans | -70.8 | 157.7 | 173 | -59.4 | -163.5 | 156.2 | 0 | 0 | 112.2 | Y24 K28 | E22-Y24 HydrophobicContact CB-CE1 4.46Å; E22-Y24 HydrophobicContact CB-CE2 4.28Å; E22-Y24 VanDerWaalsContact O-CD2 3.31Å; E22-Y24 WeakPolarHBondContact O-CD2 3.45Å; E22-Y24 WeakPolarHBondContact O-CE2 3.42Å; E22-K28 WeakPolarHBondContact OE2-CE 3.25Å; E22-K28 IonicContact OE2-NZ 3.43Å; E22-K28 PolarHBondContact OE2-NZ 2.93Å | ||
| 23 | I | 88.8 | Confident | 84.2 | Confident | 65 Ų | 65 | 103.8 Ų | 103.8 | 33% | 0.333 | 50% | 0.495 | S | S | . | . | trans | -77.5 | 126.4 | 169.2 | -55.6 | 164.7 | 0 | 0 | 0 | 107.9 | F712 D717 I720 | I23-F712 HydrophobicContact CG2-CE1 4.49Å; I23-D717 HydrophobicContact CG2-CB 3.93Å; I23-I720 HydrophobicContact CD1-CB 4.03Å; I23-I720 HydrophobicContact CD1-CG2 3.37Å; I23-I720 HydrophobicContact CG1-CB 4.49Å; I23-I720 HydrophobicContact CG1-CG2 4.19Å | ||
| 24 | Y | 89.1 | Confident | 85.1 | Confident | 23 Ų | 23 | 104.2 Ų | 104.2 | 9% | 0.09 | 50% | 0.498 | C | S | . | . | trans | -114.6 | 118.6 | -178.3 | -70.1 | -69.2 | 0 | 0 | 0 | 111.7 | E22 K28 F29 H32 Y33 | E22-Y24 HydrophobicContact CB-CE1 4.46Å; E22-Y24 HydrophobicContact CB-CE2 4.28Å; E22-Y24 VanDerWaalsContact O-CD2 3.31Å; E22-Y24 WeakPolarHBondContact O-CD2 3.45Å; E22-Y24 WeakPolarHBondContact O-CE2 3.42Å; Y24-K28 HydrophobicContact CD1-CB 4.41Å; Y24-K28 HydrophobicContact CD1-CD 4.34Å; Y24-K28 HydrophobicContact CD1-CG 4.06Å; Y24-K28 HydrophobicContact CE1-CG 4.39Å; Y24-F29 HydrophobicContact CD1-CB 4.3Å; Y24-F29 HydrophobicContact CD1-CD2 4.33Å; Y24-F29 HydrophobicContact CD2-CD2 4.35Å; Y24-F29 HydrophobicContact CG-CB 4.43Å; Y24-F29 HydrophobicContact CG-CD2 4.06Å; Y24-H32 HydrophobicContact CE1-CB 4.22Å; Y24-H32 AromaticContact CE1-CG 3.95Å; Y24-H32 AromaticContact CE1-ND1 3.78Å; Y24-Y33 HydrophobicContact CE1-CE2 4.26Å; Y24-Y33 HydrophobicContact CE2-CE2 4.3Å; Y24-Y33 AromaticContact CZ-CE2 3.85Å | ||
| 25 | N | 88.8 | Confident | 85.6 | Confident | 36 Ų | 36 | 100.2 Ų | 100.2 | 19% | 0.193 | 48% | 0.478 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 167.9 | 152.3 | 69.4 | -0.3 | 0 | 0 | 0 | 109.4 | D27 K28 F29 S711 F712 | N25-D27 VanDerWaalsContact C-N 3.31Å; N25-D27 PolarHBondContact O-N 3.07Å; N25-K28 PolarHBondContact O-N 3.07Å; N25-K28 WeakPolarHBondContact OD1-CB 3.48Å; N25-K28 PolarHBondContact OD1-N 2.92Å; N25-F29 VanDerWaalsContact O-CB 3.3Å; N25-F29 WeakPolarHBondContact O-CB 3.45Å; N25-F29 PolarHBondContact O-N 3.49Å; N25-S711 CarbonylContact C-O 3.06Å; N25-S711 WeakPolarHBondContact CA-O 3.38Å; N25-S711 WeakPolarHBondContact CB-O 3.34Å; N25-F712 HydrophobicContact CB-CD1 4.21Å; N25-F712 HydrophobicContact CB-CE1 4.06Å; N25-F712 HydrophobicContact CB-CZ 4.33Å |
| 26 | M | 83.2 | Confident | 85.6 | Confident | 17 Ų | 17 | 95 Ų | 95 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.2 | -41.5 | -176.4 | -79.1 | -63.1 | -162.4 | 0 | 0 | 112.4 | F29 L30 C689 Y694 S711 I713 | M26-F29 PolarHBondContact O-N 2.95Å; M26-L30 WeakPolarHBondContact O-CB 3.45Å; M26-L30 WeakPolarHBondContact O-CG 3.49Å; M26-L30 PolarHBondContact O-N 3.06Å; M26-C689 HydrophobicContact CE-CB 4.12Å; M26-Y694 HydrophobicContact CB-CE2 4.48Å; M26-Y694 HydrophobicContact CG-CE2 4.33Å; M26-S711 PolarHBondContact N-O 3.39Å; M26-I713 HydrophobicContact CE-CD1 4.21Å; M26-I713 HydrophobicContact SD-CD1 4.11Å |
| 27 | D | 83.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 90.4 Ų | 90.4 | 16% | 0.16 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 179.2 | -65.5 | -25 | 0 | 0 | 0 | 112.2 | N25 F29 L30 Q31 H709 | N25-D27 VanDerWaalsContact C-N 3.31Å; N25-D27 PolarHBondContact O-N 3.07Å; D27-F29 VanDerWaalsContact C-N 3.27Å; D27-F29 PolarHBondContact O-N 3.45Å; D27-L30 PolarHBondContact O-N 3.09Å; D27-Q31 VanDerWaalsContact O-CG 3.27Å; D27-Q31 WeakPolarHBondContact O-CG 3.39Å; D27-Q31 PolarHBondContact O-N 3.18Å; D27-H709 IonicContact OD2-CE1 2.65Å; D27-H709 IonicContact OD2-ND1 2.83Å; D27-H709 PolarHBondContact OD2-ND1 3.4Å |
| 28 | K | 87.4 | Confident | 84 | Confident | 65 Ų | 65 | 87.9 Ų | 87.9 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 178.6 | -171 | 179.4 | 179.3 | -168.3 | 0 | 110.9 | E22 Y24 N25 Q31 H32 | E22-K28 WeakPolarHBondContact OE2-CE 3.25Å; E22-K28 IonicContact OE2-NZ 3.43Å; E22-K28 PolarHBondContact OE2-NZ 2.93Å; Y24-K28 HydrophobicContact CD1-CB 4.41Å; Y24-K28 HydrophobicContact CD1-CD 4.34Å; Y24-K28 HydrophobicContact CD1-CG 4.06Å; Y24-K28 HydrophobicContact CE1-CG 4.39Å; N25-K28 PolarHBondContact O-N 3.07Å; N25-K28 WeakPolarHBondContact OD1-CB 3.48Å; N25-K28 PolarHBondContact OD1-N 2.92Å; K28-Q31 PolarHBondContact O-N 3.05Å; K28-H32 PolarHBondContact O-N 3.2Å; K28-H32 VanDerWaalsContact O-N 3.11Å; K28-H32 PolarHBondContact O-ND1 3.32Å |
| 29 | F | 87.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 88.5 Ų | 88.5 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 174.2 | -172.4 | -97.2 | 0 | 0 | 0 | 111.1 | Y24 N25 M26 D27 Q31 H32 Y33 I713 | Y24-F29 HydrophobicContact CD1-CB 4.3Å; Y24-F29 HydrophobicContact CD1-CD2 4.33Å; Y24-F29 HydrophobicContact CD2-CD2 4.35Å; Y24-F29 HydrophobicContact CG-CB 4.43Å; Y24-F29 HydrophobicContact CG-CD2 4.06Å; N25-F29 VanDerWaalsContact O-CB 3.3Å; N25-F29 WeakPolarHBondContact O-CB 3.45Å; N25-F29 PolarHBondContact O-N 3.49Å; M26-F29 PolarHBondContact O-N 2.95Å; D27-F29 VanDerWaalsContact C-N 3.27Å; D27-F29 PolarHBondContact O-N 3.45Å; F29-Q31 VanDerWaalsContact C-N 3.27Å; F29-Q31 PolarHBondContact O-N 3.31Å; F29-H32 PolarHBondContact O-N 3.25Å; F29-Y33 AromaticContact CD2-CD2 3.72Å; F29-Y33 HydrophobicContact CD2-CD2 3.72Å; F29-Y33 HydrophobicContact CD2-CE2 4.32Å; F29-Y33 AromaticContact CE2-CD2 3.53Å; F29-Y33 HydrophobicContact CE2-CD2 3.53Å; F29-Y33 HydrophobicContact CE2-CE2 4.1Å; F29-Y33 HydrophobicContact CE2-CG 4.26Å; F29-Y33 HydrophobicContact CG-CD2 4.34Å; F29-Y33 HydrophobicContact CZ-CD2 4Å; F29-Y33 HydrophobicContact CZ-CG 4.29Å; F29-Y33 WeakPolarHBondContact O-CA 3.31Å; F29-Y33 WeakPolarHBondContact O-CB 3.25Å; F29-Y33 PolarHBondContact O-N 3.4Å; F29-I713 HydrophobicContact CD1-CD1 4.41Å; F29-I713 HydrophobicContact CD2-CG1 4.35Å; F29-I713 HydrophobicContact CE1-CD1 4.43Å; F29-I713 HydrophobicContact CE2-CG1 4.39Å |
| 30 | L | 83.6 | Confident | 81 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 26% | 0.262 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67 | -26.1 | 179.9 | -69.3 | 171.7 | 0 | 0 | 0 | 113.2 | M26 D27 Y33 P34 K35 | M26-L30 WeakPolarHBondContact O-CB 3.45Å; M26-L30 WeakPolarHBondContact O-CG 3.49Å; M26-L30 PolarHBondContact O-N 3.06Å; D27-L30 PolarHBondContact O-N 3.09Å; L30-Y33 CarbonylContact O-C 3.25Å; L30-P34 WeakPolarHBondContact O-CA 3.35Å; L30-K35 HydrophobicContact CD2-CD 4.16Å; L30-K35 HydrophobicContact CD2-CG 3.72Å |
| 31 | Q | 86.3 | Confident | 79 | Confident | 152 Ų | 152 | 93.1 Ų | 93.1 | 71% | 0.71 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71 | -43.9 | 172.1 | -74.1 | 171.2 | 9.4 | 0 | 0 | 112.2 | D27 K28 F29 | D27-Q31 VanDerWaalsContact O-CG 3.27Å; D27-Q31 WeakPolarHBondContact O-CG 3.39Å; D27-Q31 PolarHBondContact O-N 3.18Å; K28-Q31 PolarHBondContact O-N 3.05Å; F29-Q31 VanDerWaalsContact C-N 3.27Å; F29-Q31 PolarHBondContact O-N 3.31Å |
| 32 | H | 88.4 | Confident | 76.8 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -75.8 | -37 | 178.1 | -74.5 | 86.5 | 0 | 0 | 0 | 112.4 | Y24 K28 F29 P34 | Y24-H32 HydrophobicContact CE1-CB 4.22Å; Y24-H32 AromaticContact CE1-CG 3.95Å; Y24-H32 AromaticContact CE1-ND1 3.78Å; K28-H32 PolarHBondContact O-N 3.2Å; K28-H32 VanDerWaalsContact O-N 3.11Å; K28-H32 PolarHBondContact O-ND1 3.32Å; F29-H32 PolarHBondContact O-N 3.25Å; H32-P34 WeakPolarHBondContact O-CD 3.41Å |
| 33 | Y | 87.6 | Confident | 74.7 | Confident | 128 Ų | 128 | 96.7 Ų | 96.7 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -127.3 | 74.1 | -174.7 | -55.1 | -71.7 | 0 | 0 | 0 | 109.1 | Y24 F29 L30 K35 | Y24-Y33 HydrophobicContact CE1-CE2 4.26Å; Y24-Y33 HydrophobicContact CE2-CE2 4.3Å; Y24-Y33 AromaticContact CZ-CE2 3.85Å; F29-Y33 AromaticContact CD2-CD2 3.72Å; F29-Y33 HydrophobicContact CD2-CD2 3.72Å; F29-Y33 HydrophobicContact CD2-CE2 4.32Å; F29-Y33 AromaticContact CE2-CD2 3.53Å; F29-Y33 HydrophobicContact CE2-CD2 3.53Å; F29-Y33 HydrophobicContact CE2-CE2 4.1Å; F29-Y33 HydrophobicContact CE2-CG 4.26Å; F29-Y33 HydrophobicContact CG-CD2 4.34Å; F29-Y33 HydrophobicContact CZ-CD2 4Å; F29-Y33 HydrophobicContact CZ-CG 4.29Å; F29-Y33 WeakPolarHBondContact O-CA 3.31Å; F29-Y33 WeakPolarHBondContact O-CB 3.25Å; F29-Y33 PolarHBondContact O-N 3.4Å; L30-Y33 CarbonylContact O-C 3.25Å; Y33-K35 PolarHBondContact O-N 3.01Å |
| 34 | P | 83.1 | Confident | 72.4 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 139.9 | 179.5 | 24.2 | -33.3 | 0 | 0 | 0 | 110.7 | L30 H32 S36 | L30-P34 WeakPolarHBondContact O-CA 3.35Å; H32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-S36 PolarHBondContact O-N 3.4Å |
| 35 | K | 76.7 | Confident | 70.5 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 135.7 | 174.7 | -71.4 | -179.4 | -178 | -176.6 | 0 | 109.3 | L30 Y33 | L30-K35 HydrophobicContact CD2-CD 4.16Å; L30-K35 HydrophobicContact CD2-CG 3.72Å; Y33-K35 PolarHBondContact O-N 3.01Å |
| 36 | S | 78.7 | Confident | 68 | Low | 101 Ų | 101 | 107 Ų | 107 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 144.4 | 160.5 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | P34 E38 | P34-S36 PolarHBondContact O-N 3.4Å; S36-E38 PolarHBondContact O-N 2.98Å |
| 37 | P | 71.8 | Confident | 65.8 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 74% | 0.74 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 130.4 | 174.7 | 21.9 | -31.5 | 0 | 0 | 0 | 108.4 | V39 | P37-V39 PolarHBondContact O-N 2.79Š|
| 38 | E | 63.2 | Low | 63.9 | Low | 131 Ų | 131 | 118.8 Ų | 118.8 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | trans | -55.1 | 112.9 | 176.2 | -72.8 | -171.3 | -174.1 | 0 | 0 | 107.6 | S36 H40 | S36-E38 PolarHBondContact O-N 2.98Å; E38-H40 PolarHBondContact O-N 3.09Å; E38-H40 IonicContact OE2-CE1 3.2Å; E38-H40 PolarHBondContact OE2-CE1 3.49Å; E38-H40 IonicContact OE2-ND1 2.8Å; E38-H40 IonicContact OE2-NE2 3.08Å | ||
| 39 | V | 58.8 | Low | 61.7 | Low | 130 Ų | 130 | 121.8 Ų | 121.8 | 79% | 0.788 | 62% | 0.623 | S | S | * | * | trans | -71.3 | 78.4 | 163.6 | -174.1 | 0 | 0 | 0 | 0 | 104.5 | P37 K41 | P37-V39 PolarHBondContact O-N 2.79Å; V39-K41 PolarHBondContact O-N 3.22Å | ||
| 40 | H | 49.5 | Very low | 59.3 | Low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | trans | -53.4 | 106.7 | 153.6 | -65.8 | -53.3 | 0 | 0 | 0 | 103.4 | E38 A42 | E38-H40 PolarHBondContact O-N 3.09Å; E38-H40 IonicContact OE2-CE1 3.2Å; E38-H40 PolarHBondContact OE2-CE1 3.49Å; E38-H40 IonicContact OE2-ND1 2.8Å; E38-H40 IonicContact OE2-NE2 3.08Å; H40-A42 PolarHBondContact O-N 3.26Å | ||
| 41 | K | 46.5 | Very low | 57 | Low | 192 Ų | 192 | 130 Ų | 130 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | trans | -60.6 | 80.2 | 152.7 | -74.2 | -179.7 | -178.5 | 173.6 | 0 | 103.5 | V39 F43 | V39-K41 PolarHBondContact O-N 3.22Å; K41-F43 VanDerWaalsContact C-N 3.33Å; K41-F43 PolarHBondContact O-N 3.01Å | ||
| 42 | A | 43.8 | Very low | 54.8 | Low | 78 Ų | 78 | 127.8 Ų | 127.8 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | trans | -48.4 | 116.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 102.2 | H40 S44 | H40-A42 PolarHBondContact O-N 3.26Å; A42-S44 PolarHBondContact O-N 3.2Å | ||
| 43 | F | 43.2 | Very low | 53 | Low | 209 Ų | 209 | 129.3 Ų | 129.3 | 92% | 0.917 | 68% | 0.682 | S | S | * | * | trans | -54.4 | 89.4 | 156.5 | -101.4 | -91.1 | 0 | 0 | 0 | 103.5 | K41 P45 | K41-F43 VanDerWaalsContact C-N 3.33Å; K41-F43 PolarHBondContact O-N 3.01Å; F43-P45 WeakPolarHBondContact O-CD 3.3Å | ||
| 44 | S | 41.3 | Very low | 51.2 | Low | 56 Ų | 56 | 128.1 Ų | 128.1 | 39% | 0.392 | 69% | 0.692 | S | S | . | * | trans | -78.3 | 105.1 | 173.9 | 174.1 | 0 | 0 | 0 | 0 | 103 | A42 Y46 K47 | A42-S44 PolarHBondContact O-N 3.2Å; S44-Y46 PolarHBondContact O-N 2.87Å; S44-Y46 WeakPolarHBondContact OG-CB 3.28Å; S44-Y46 PolarHBondContact OG-N 2.62Å; S44-K47 PolarHBondContact O-N 3.28Å | ||
| 45 | P | 47.2 | Very low | 49.9 | Very low | 93 Ų | 93 | 127 Ų | 127 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -58.5 | -14 | 168.4 | 25.1 | -33.5 | 0 | 0 | 0 | 111.1 | F43 V48 | F43-P45 WeakPolarHBondContact O-CD 3.3Å; P45-V48 PolarHBondContact O-N 2.86Å |
| 46 | Y | 37.3 | Very low | 48.8 | Very low | 192 Ų | 192 | 125.8 Ų | 125.8 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -82.1 | -12.1 | -176.9 | -72.5 | -80.7 | 0 | 0 | 0 | 116.1 | S44 V48 | S44-Y46 PolarHBondContact O-N 2.87Å; S44-Y46 WeakPolarHBondContact OG-CB 3.28Å; S44-Y46 PolarHBondContact OG-N 2.62Å; Y46-V48 PolarHBondContact O-N 3.27Å |
| 47 | K | 36.9 | Very low | 48.2 | Very low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -76.9 | 0.3 | 169 | -89.8 | -172.8 | 177.5 | -179.8 | 0 | 113.9 | S44 | S44-K47 PolarHBondContact O-N 3.28Š|
| 48 | V | 43.9 | Very low | 47.8 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -90.2 | -2.1 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | P45 Y46 K56 | P45-V48 PolarHBondContact O-N 2.86Å; Y46-V48 PolarHBondContact O-N 3.27Å; V48-K56 WeakPolarHBondContact O-CE 3.33Å; V48-K56 PolarHBondContact O-NZ 3.36Å |
| 49 | L | 40.6 | Very low | 47.8 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -106.3 | 3.5 | -174.2 | -100 | 98.8 | 0 | 0 | 0 | 118.4 | ||
| 50 | K | 37.1 | Very low | 48.2 | Very low | 205 Ų | 205 | 120.1 Ų | 120.1 | 89% | 0.891 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -127.8 | 76.8 | 175.8 | -80 | -173.8 | 175.2 | -178.9 | 0 | 113 | ||
| 51 | S | 35.5 | Very low | 49.2 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -163.5 | 138 | 152.5 | -174 | 0 | 0 | 0 | 0 | 109 | ||
| 52 | C | 39.2 | Very low | 50.1 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | trans | -47.9 | 145.3 | -166.8 | -61.2 | 0 | 0 | 0 | 0 | 114.8 | C54 S55 | C52-C54 PolarHBondContact O-N 3.42Å; C52-S55 WeakPolarHBondContact O-CB 3.49Å; C52-S55 PolarHBondContact O-N 3.01Å | ||
| 53 | T | 50.6 | Low | 51.3 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 76% | 0.761 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -50.3 | -30.5 | -170.3 | -35.3 | 0 | 0 | 0 | 0 | 115 | F57 | T53-F57 PolarHBondContact O-N 3.42Å |
| 54 | C | 50.2 | Low | 52.7 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 70% | 0.703 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | C52 F57 V58 | C52-C54 PolarHBondContact O-N 3.42Å; C54-F57 PolarHBondContact O-N 2.88Å; C54-V58 WeakPolarHBondContact O-CG2 3.48Å; C54-V58 PolarHBondContact O-N 3.36Å |
| 55 | S | 56.1 | Low | 54.7 | Low | 74 Ų | 74 | 107 Ų | 107 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -34.8 | 178.6 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | C52 G59 | C52-S55 WeakPolarHBondContact O-CB 3.49Å; C52-S55 PolarHBondContact O-N 3.01Å; S55-G59 PolarHBondContact O-N 2.93Å |
| 56 | K | 54.2 | Low | 56.4 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 40% | 0.396 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -40.2 | 174.5 | -70.8 | -173.2 | 178.3 | -178.5 | 0 | 112.5 | V48 G59 V60 | V48-K56 WeakPolarHBondContact O-CE 3.33Å; V48-K56 PolarHBondContact O-NZ 3.36Å; K56-G59 PolarHBondContact O-N 3.36Å; K56-V60 VanDerWaalsContact O-CB 3.3Å; K56-V60 WeakPolarHBondContact O-CB 3.38Å; K56-V60 WeakPolarHBondContact O-CG2 3.46Å; K56-V60 PolarHBondContact O-N 3.49Å |
| 57 | F | 66 | Low | 58.6 | Low | 146 Ų | 146 | 97.2 Ų | 97.2 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.4 | -45.6 | 178.3 | -172.5 | -100.6 | 0 | 0 | 0 | 111 | T53 C54 G59 V60 L61 | T53-F57 PolarHBondContact O-N 3.42Å; C54-F57 PolarHBondContact O-N 2.88Å; F57-G59 PolarHBondContact O-N 3.34Å; F57-V60 PolarHBondContact O-N 2.68Å; F57-L61 HydrophobicContact CE1-CD2 4.24Å; F57-L61 WeakPolarHBondContact O-CB 3.45Å; F57-L61 PolarHBondContact O-N 3.16Å |
| 58 | V | 63.5 | Low | 60.7 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | C54 S62 | C54-V58 WeakPolarHBondContact O-CG2 3.48Å; C54-V58 PolarHBondContact O-N 3.36Å; V58-S62 WeakPolarHBondContact O-CB 3.14Å; V58-S62 PolarHBondContact O-N 2.94Å |
| 59 | G | 61.5 | Low | 62.4 | Low | 41 Ų | 41 | 93 Ų | 93 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S55 K56 F57 S62 F63 | S55-G59 PolarHBondContact O-N 2.93Å; K56-G59 PolarHBondContact O-N 3.36Å; F57-G59 PolarHBondContact O-N 3.34Å; G59-S62 PolarHBondContact O-N 3.47Å; G59-F63 WeakPolarHBondContact O-CB 3.13Å; G59-F63 PolarHBondContact O-N 2.67Å |
| 60 | V | 69.2 | Low | 64.4 | Low | 83 Ų | 83 | 87.9 Ų | 87.9 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 175 | 171 | 0 | 0 | 0 | 0 | 110.3 | K56 F57 S62 F63 I64 | K56-V60 VanDerWaalsContact O-CB 3.3Å; K56-V60 WeakPolarHBondContact O-CB 3.38Å; K56-V60 WeakPolarHBondContact O-CG2 3.46Å; K56-V60 PolarHBondContact O-N 3.49Å; F57-V60 PolarHBondContact O-N 2.68Å; V60-S62 VanDerWaalsContact C-N 3.32Å; V60-S62 PolarHBondContact O-N 3.41Å; V60-F63 WeakPolarHBondContact O-CB 3.47Å; V60-F63 PolarHBondContact O-N 2.93Å; V60-I64 HydrophobicContact CG1-CD1 3.78Å; V60-I64 HydrophobicContact CG1-CG1 4.46Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.4Å |
| 61 | L | 69.2 | Low | 66.7 | Low | 74 Ų | 74 | 79.2 Ų | 79.2 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.7 | -165.6 | 73.4 | 0 | 0 | 0 | 111.3 | F57 F63 I64 F65 | F57-L61 HydrophobicContact CE1-CD2 4.24Å; F57-L61 WeakPolarHBondContact O-CB 3.45Å; F57-L61 PolarHBondContact O-N 3.16Å; L61-F63 VanDerWaalsContact C-N 3.34Å; L61-I64 PolarHBondContact O-N 3.37Å; L61-F65 HydrophobicContact CD1-CD2 3.61Å; L61-F65 HydrophobicContact CD1-CE2 3.97Å; L61-F65 HydrophobicContact CG-CD2 4.18Å; L61-F65 WeakPolarHBondContact O-CA 3.24Å; L61-F65 WeakPolarHBondContact O-CB 3.44Å; L61-F65 PolarHBondContact O-N 3.01Å |
| 62 | S | 65.4 | Low | 68.9 | Low | 38 Ų | 38 | 78.4 Ų | 78.4 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -33.2 | 173.4 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | V58 G59 V60 F65 P66 S69 | V58-S62 WeakPolarHBondContact O-CB 3.14Å; V58-S62 PolarHBondContact O-N 2.94Å; G59-S62 PolarHBondContact O-N 3.47Å; V60-S62 VanDerWaalsContact C-N 3.32Å; V60-S62 PolarHBondContact O-N 3.41Å; S62-F65 CarbonylContact O-C 3.55Å; S62-P66 VanDerWaalsContact O-CA 3.29Å; S62-P66 WeakPolarHBondContact O-CA 3.42Å; S62-S69 WeakPolarHBondContact OG-CB 3.3Å; S62-S69 PolarHBondContact OG-OG 3.33Å; S62-S69 VanDerWaalsContact OG-OG 3.11Å |
| 63 | F | 69.3 | Low | 71 | Confident | 140 Ų | 140 | 78.2 Ų | 78.2 | 61% | 0.614 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71.2 | -38.7 | 173.7 | -175.1 | -97.1 | 0 | 0 | 0 | 112 | G59 V60 L61 | G59-F63 WeakPolarHBondContact O-CB 3.13Å; G59-F63 PolarHBondContact O-N 2.67Å; V60-F63 WeakPolarHBondContact O-CB 3.47Å; V60-F63 PolarHBondContact O-N 2.93Å; L61-F63 VanDerWaalsContact C-N 3.34Å |
| 64 | I | 73.4 | Confident | 72.7 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 40% | 0.395 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -77.5 | -41.3 | 179.2 | -64.6 | 170.2 | 0 | 0 | 0 | 111.4 | V60 L61 P66 F126 | V60-I64 HydrophobicContact CG1-CD1 3.78Å; V60-I64 HydrophobicContact CG1-CG1 4.46Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.4Å; L61-I64 PolarHBondContact O-N 3.37Å; I64-P66 WeakPolarHBondContact O-CD 3.27Å; I64-F126 WeakPolarHBondContact O-CD1 3.37Å |
| 65 | F | 83.1 | Confident | 74.6 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 31% | 0.311 | 39% | 0.39 | S | S | . | . | trans | -124.2 | 77 | -176.4 | -60.2 | -66.8 | 0 | 0 | 0 | 110.6 | L61 S62 F67 V125 F126 | L61-F65 HydrophobicContact CD1-CD2 3.61Å; L61-F65 HydrophobicContact CD1-CE2 3.97Å; L61-F65 HydrophobicContact CG-CD2 4.18Å; L61-F65 WeakPolarHBondContact O-CA 3.24Å; L61-F65 WeakPolarHBondContact O-CB 3.44Å; L61-F65 PolarHBondContact O-N 3.01Å; S62-F65 CarbonylContact O-C 3.55Å; F65-F67 HydrophobicContact CB-CD1 4.02Å; F65-F67 HydrophobicContact CB-CE1 3.97Å; F65-F67 PolarHBondContact O-N 2.99Å; F65-V125 HydrophobicContact CD1-CG1 3.43Å; F65-V125 VanDerWaalsContact CD1-CG1 3.43Å; F65-V125 HydrophobicContact CE1-CG1 3.77Å; F65-F126 HydrophobicContact CD1-CD1 4.47Å; F65-F126 AromaticContact CD1-CE1 3.98Å; F65-F126 HydrophobicContact CD1-CE1 3.98Å; F65-F126 HydrophobicContact CD1-CZ 4.49Å; F65-F126 AromaticContact CE1-CE1 3.7Å; F65-F126 HydrophobicContact CE1-CE1 3.7Å; F65-F126 AromaticContact CE1-CZ 3.92Å; F65-F126 HydrophobicContact CE1-CZ 3.92Å | ||
| 66 | P | 83 | Confident | 76.2 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.2 | -174.3 | 25.9 | -35.1 | 0 | 0 | 0 | 114.6 | S62 I64 Y68 S69 V70 F126 T128 Q376 | S62-P66 VanDerWaalsContact O-CA 3.29Å; S62-P66 WeakPolarHBondContact O-CA 3.42Å; I64-P66 WeakPolarHBondContact O-CD 3.27Å; P66-Y68 PolarHBondContact O-N 3.35Å; P66-Y68 VanDerWaalsContact O-N 3.13Å; P66-S69 PolarHBondContact O-N 3.48Å; P66-S69 PolarHBondContact O-OG 3.24Å; P66-V70 HydrophobicContact CB-CG2 4.38Å; P66-V70 VanDerWaalsContact O-CG2 3.26Å; P66-V70 WeakPolarHBondContact O-CG2 3.1Å; P66-V70 PolarHBondContact O-N 2.91Å; P66-F126 WeakPolarHBondContact CG-O 3.15Å; P66-T128 HydrophobicContact CB-CG2 3.82Å; P66-T128 HydrophobicContact CG-CG2 3.96Å; P66-Q376 HydrophobicContact CG-CG 4.24Å |
| 67 | F | 83 | Confident | 78 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -53.2 | -41.3 | -176.3 | 80.8 | -89.4 | 0 | 0 | 0 | 112.5 | F65 V70 L71 F124 | F65-F67 HydrophobicContact CB-CD1 4.02Å; F65-F67 HydrophobicContact CB-CE1 3.97Å; F65-F67 PolarHBondContact O-N 2.99Å; F67-V70 PolarHBondContact O-N 3.37Å; F67-L71 WeakPolarHBondContact O-CB 3.46Å; F67-L71 WeakPolarHBondContact O-CD1 3.41Å; F67-L71 PolarHBondContact O-N 2.92Å; F67-L71 VanDerWaalsContact O-N 3.09Å; F67-F124 VanDerWaalsContact CB-O 3.25Å; F67-F124 WeakPolarHBondContact CB-O 3.49Å; F67-F124 HydrophobicContact CD2-CE1 4.48Å; F67-F124 HydrophobicContact CD2-CZ 4.22Å |
| 68 | Y | 81.4 | Confident | 79.3 | Confident | 157 Ų | 157 | 75.9 Ų | 75.9 | 62% | 0.616 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 179.5 | 178.5 | -99.8 | 0 | 0 | 0 | 111.7 | P66 V70 L71 A72 | P66-Y68 PolarHBondContact O-N 3.35Å; P66-Y68 VanDerWaalsContact O-N 3.13Å; Y68-V70 VanDerWaalsContact C-N 3.32Å; Y68-V70 PolarHBondContact O-N 2.87Å; Y68-L71 PolarHBondContact O-N 3.28Å; Y68-A72 HydrophobicContact CE1-CB 4.38Å; Y68-A72 HydrophobicContact CE2-CB 4.5Å; Y68-A72 WeakPolarHBondContact O-CB 3.29Å; Y68-A72 PolarHBondContact O-N 3.37Å |
| 69 | S | 79 | Confident | 80.6 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.2 | -28.5 | -179.2 | 58.3 | 0 | 0 | 0 | 0 | 113 | S62 P66 P73 | S62-S69 WeakPolarHBondContact OG-CB 3.3Å; S62-S69 PolarHBondContact OG-OG 3.33Å; S62-S69 VanDerWaalsContact OG-OG 3.11Å; P66-S69 PolarHBondContact O-N 3.48Å; P66-S69 PolarHBondContact O-OG 3.24Å; S69-P73 VanDerWaalsContact O-CD 3.31Å; S69-P73 WeakPolarHBondContact O-CD 3.33Å |
| 70 | V | 83 | Confident | 82.2 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 173.9 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | P66 F67 Y68 F74 R130 | P66-V70 HydrophobicContact CB-CG2 4.38Å; P66-V70 VanDerWaalsContact O-CG2 3.26Å; P66-V70 WeakPolarHBondContact O-CG2 3.1Å; P66-V70 PolarHBondContact O-N 2.91Å; F67-V70 PolarHBondContact O-N 3.37Å; Y68-V70 VanDerWaalsContact C-N 3.32Å; Y68-V70 PolarHBondContact O-N 2.87Å; V70-F74 WeakPolarHBondContact O-CE1 3.2Å; V70-R130 HydrophobicContact CG1-CG 3.67Å |
| 71 | L | 84.8 | Confident | 83.4 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -83.9 | -39.9 | -173.2 | -87.5 | 71.8 | 0 | 0 | 0 | 114 | F67 Y68 P73 F74 Y75 I415 | F67-L71 WeakPolarHBondContact O-CB 3.46Å; F67-L71 WeakPolarHBondContact O-CD1 3.41Å; F67-L71 PolarHBondContact O-N 2.92Å; F67-L71 VanDerWaalsContact O-N 3.09Å; Y68-L71 PolarHBondContact O-N 3.28Å; L71-P73 VanDerWaalsContact C-N 3.31Å; L71-P73 WeakPolarHBondContact O-CD 3.27Å; L71-P73 VanDerWaalsContact O-N 3.11Å; L71-F74 PolarHBondContact O-N 3.49Å; L71-Y75 HydrophobicContact CD2-CG 4.4Å; L71-Y75 HydrophobicContact CG-CD2 4.37Å; L71-Y75 HydrophobicContact CG-CG 4.4Å; L71-Y75 WeakPolarHBondContact O-CB 3.35Å; L71-Y75 PolarHBondContact O-N 2.85Å; L71-Y75 VanDerWaalsContact O-N 3.07Å; L71-I415 HydrophobicContact CD2-CD1 3.29Å; L71-I415 HydrophobicContact CD2-CG1 3.81Å |
| 72 | A | 82.5 | Confident | 84.6 | Confident | 63 Ų | 63 | 72 Ų | 72 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -35.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y68 F74 | Y68-A72 HydrophobicContact CE1-CB 4.38Å; Y68-A72 HydrophobicContact CE2-CB 4.5Å; Y68-A72 WeakPolarHBondContact O-CB 3.29Å; Y68-A72 PolarHBondContact O-N 3.37Å; A72-F74 PolarHBondContact O-N 2.89Å |
| 73 | P | 82.7 | Confident | 86 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.4 | -174.6 | -22.9 | 34.6 | 0 | 0 | 0 | 115.7 | S69 L71 | S69-P73 VanDerWaalsContact O-CD 3.31Å; S69-P73 WeakPolarHBondContact O-CD 3.33Å; L71-P73 VanDerWaalsContact C-N 3.31Å; L71-P73 WeakPolarHBondContact O-CD 3.27Å; L71-P73 VanDerWaalsContact O-N 3.11Å |
| 74 | F | 86 | Confident | 87.3 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -15.2 | -167.7 | 75 | -87.7 | 0 | 0 | 0 | 115 | V70 L71 A72 N76 R130 | V70-F74 WeakPolarHBondContact O-CE1 3.2Å; L71-F74 PolarHBondContact O-N 3.49Å; A72-F74 PolarHBondContact O-N 2.89Å; F74-N76 PolarHBondContact O-N 3.23Å; F74-R130 VanDerWaalsContact CE1-NE 3.34Å; F74-R130 VanDerWaalsContact CE1-NH1 3.35Å |
| 75 | Y | 89.5 | Confident | 88.3 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | trans | -74.5 | 121.3 | -167.1 | -157.1 | -96.6 | 0 | 0 | 0 | 112.3 | L71 F80 D83 S413 I415 | L71-Y75 HydrophobicContact CD2-CG 4.4Å; L71-Y75 HydrophobicContact CG-CD2 4.37Å; L71-Y75 HydrophobicContact CG-CG 4.4Å; L71-Y75 WeakPolarHBondContact O-CB 3.35Å; L71-Y75 PolarHBondContact O-N 2.85Å; L71-Y75 VanDerWaalsContact O-N 3.07Å; Y75-F80 HydrophobicContact CE1-CB 4.07Å; Y75-F80 VanDerWaalsContact OH-CA 3.31Å; Y75-F80 WeakPolarHBondContact OH-CA 3.32Å; Y75-D83 VanDerWaalsContact CE2-OD2 3.27Å; Y75-D83 WeakPolarHBondContact CE2-OD2 3.39Å; Y75-D83 PolarHBondContact OH-OD2 2.92Å; Y75-D83 VanDerWaalsContact OH-OD2 3.07Å; Y75-S413 WeakPolarHBondContact CE2-OG 3.43Å; Y75-I415 HydrophobicContact CD1-CD1 3.94Å; Y75-I415 HydrophobicContact CD2-CD1 4.5Å; Y75-I415 HydrophobicContact CE1-CD1 3.25Å; Y75-I415 HydrophobicContact CE2-CD1 3.93Å; Y75-I415 HydrophobicContact CG-CD1 4.5Å; Y75-I415 WeakPolarHBondContact OH-CB 3.47Å; Y75-I415 VanDerWaalsContact OH-CD1 3.27Å; Y75-I415 WeakPolarHBondContact OH-CD1 3.42Å; Y75-I415 WeakPolarHBondContact OH-CG2 3.3Å | ||
| 76 | N | 91.1 | Very high | 88.8 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | trans | -132.6 | 179.9 | -176.5 | 66.6 | 6.5 | 0 | 0 | 0 | 111.7 | F74 Q78 S79 F80 | F74-N76 PolarHBondContact O-N 3.23Å; N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.4Å; N76-Q78 PolarHBondContact OD1-N 2.96Å; N76-S79 WeakPolarHBondContact O-CB 3.46Å; N76-S79 PolarHBondContact O-N 3.46Å; N76-S79 VanDerWaalsContact O-N 3.16Å; N76-S79 WeakPolarHBondContact OD1-CB 3.38Å; N76-S79 PolarHBondContact OD1-N 3.11Å; N76-S79 PolarHBondContact OD1-OG 2.93Å; N76-F80 PolarHBondContact O-N 3.42Å | ||
| 77 | L | 91.9 | Very high | 89.4 | Confident | 138 Ų | 138 | 64.1 Ų | 64.1 | 72% | 0.723 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.3 | -34.9 | -179.1 | -171.9 | 66 | 0 | 0 | 0 | 112.8 | F80 V81 | L77-F80 HydrophobicContact CD1-CD1 4.48Å; L77-F80 WeakPolarHBondContact O-CB 3.32Å; L77-F80 PolarHBondContact O-N 2.87Å; L77-V81 PolarHBondContact O-N 2.8Å |
| 78 | Q | 92 | Very high | 90 | Very high | 154 Ų | 154 | 64.5 Ų | 64.5 | 72% | 0.72 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 175.7 | -175.2 | 178.2 | 4.1 | 0 | 0 | 111.5 | N76 F80 V81 S82 | N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.4Å; N76-Q78 PolarHBondContact OD1-N 2.96Å; Q78-F80 VanDerWaalsContact C-N 3.27Å; Q78-F80 PolarHBondContact O-N 2.94Å; Q78-V81 PolarHBondContact O-N 3.45Å; Q78-S82 PolarHBondContact O-N 3.34Å |
| 79 | S | 91.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 173.9 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | N76 S82 D83 | N76-S79 WeakPolarHBondContact O-CB 3.46Å; N76-S79 PolarHBondContact O-N 3.46Å; N76-S79 VanDerWaalsContact O-N 3.16Å; N76-S79 WeakPolarHBondContact OD1-CB 3.38Å; N76-S79 PolarHBondContact OD1-N 3.11Å; N76-S79 PolarHBondContact OD1-OG 2.93Å; S79-S82 WeakPolarHBondContact O-CB 3.16Å; S79-S82 PolarHBondContact O-N 3.29Å; S79-D83 WeakPolarHBondContact O-CB 3.33Å; S79-D83 PolarHBondContact O-N 2.93Å |
| 80 | F | 94.7 | Very high | 91.3 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.7 | 179.2 | -98.1 | 0 | 0 | 0 | 113.3 | Y75 N76 L77 Q78 S82 D83 L84 I415 | Y75-F80 HydrophobicContact CE1-CB 4.07Å; Y75-F80 VanDerWaalsContact OH-CA 3.31Å; Y75-F80 WeakPolarHBondContact OH-CA 3.32Å; N76-F80 PolarHBondContact O-N 3.42Å; L77-F80 HydrophobicContact CD1-CD1 4.48Å; L77-F80 WeakPolarHBondContact O-CB 3.32Å; L77-F80 PolarHBondContact O-N 2.87Å; Q78-F80 VanDerWaalsContact C-N 3.27Å; Q78-F80 PolarHBondContact O-N 2.94Å; F80-S82 VanDerWaalsContact C-N 3.31Å; F80-S82 PolarHBondContact O-N 3.23Å; F80-D83 PolarHBondContact O-N 3.11Å; F80-L84 WeakPolarHBondContact O-CB 3.4Å; F80-L84 PolarHBondContact O-N 3.09Å; F80-I415 HydrophobicContact CD2-CG2 4.29Å; F80-I415 HydrophobicContact CE2-CG2 4.46Å |
| 81 | V | 95.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 54 Ų | 54 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | L77 Q78 L84 I85 | L77-V81 PolarHBondContact O-N 2.8Å; Q78-V81 PolarHBondContact O-N 3.45Å; V81-L84 WeakPolarHBondContact O-CB 3.25Å; V81-L84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 4.29Å; V81-I85 WeakPolarHBondContact O-CG1 3.46Å; V81-I85 PolarHBondContact O-N 3.4Å; V81-I85 VanDerWaalsContact O-N 3.16Å |
| 82 | S | 93.7 | Very high | 92.3 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.8 | -146.6 | 0 | 0 | 0 | 0 | 111.9 | Q78 S79 F80 L84 I85 A86 G410 | Q78-S82 PolarHBondContact O-N 3.34Å; S79-S82 WeakPolarHBondContact O-CB 3.16Å; S79-S82 PolarHBondContact O-N 3.29Å; F80-S82 VanDerWaalsContact C-N 3.31Å; F80-S82 PolarHBondContact O-N 3.23Å; S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 3.05Å; S82-I85 PolarHBondContact O-N 3.47Å; S82-A86 WeakPolarHBondContact O-CB 3.37Å; S82-A86 PolarHBondContact O-N 3.02Å; S82-G410 WeakPolarHBondContact CB-O 3.39Å; S82-G410 PolarHBondContact OG-O 2.74Å |
| 83 | D | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -28.2 | 177.3 | -82.6 | -6 | 0 | 0 | 0 | 113 | Y75 S79 F80 G87 C412 S413 I415 A416 | Y75-D83 VanDerWaalsContact CE2-OD2 3.27Å; Y75-D83 WeakPolarHBondContact CE2-OD2 3.39Å; Y75-D83 PolarHBondContact OH-OD2 2.92Å; Y75-D83 VanDerWaalsContact OH-OD2 3.07Å; S79-D83 WeakPolarHBondContact O-CB 3.33Å; S79-D83 PolarHBondContact O-N 2.93Å; F80-D83 PolarHBondContact O-N 3.11Å; D83-G87 WeakPolarHBondContact O-CA 3.27Å; D83-G87 PolarHBondContact O-N 2.94Å; D83-C412 PolarHBondContact OD1-N 3.32Å; D83-S413 PolarHBondContact OD1-N 2.66Å; D83-S413 WeakPolarHBondContact OD2-CA 3.47Å; D83-S413 VanDerWaalsContact OD2-CB 3.25Å; D83-S413 WeakPolarHBondContact OD2-CB 3.38Å; D83-S413 PolarHBondContact OD2-N 2.96Å; D83-S413 PolarHBondContact OD2-OG 3.29Å; D83-I415 HydrophobicContact CB-CB 4.28Å; D83-I415 HydrophobicContact CB-CG2 4.16Å; D83-A416 HydrophobicContact CB-CB 4.06Å; D83-A416 WeakPolarHBondContact O-CA 3.33Å; D83-A416 WeakPolarHBondContact O-CB 3.19Å |
| 84 | L | 96.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 173.1 | -173.1 | 73 | 0 | 0 | 0 | 111 | F80 V81 S82 G87 L88 V419 | F80-L84 WeakPolarHBondContact O-CB 3.4Å; F80-L84 PolarHBondContact O-N 3.09Å; V81-L84 WeakPolarHBondContact O-CB 3.25Å; V81-L84 PolarHBondContact O-N 3.49Å; S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 3.05Å; L84-G87 PolarHBondContact O-N 2.87Å; L84-L88 PolarHBondContact O-N 3.1Å; L84-V419 HydrophobicContact CD1-CG1 4.04Å; L84-V419 HydrophobicContact CD1-CG2 4.21Å |
| 85 | I | 93.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 43% | 0.426 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.3 | -43.9 | 177.8 | -58.9 | 168.8 | 0 | 0 | 0 | 110.3 | V81 S82 G87 L88 T89 V409 | V81-I85 HydrophobicContact CG1-CD1 4.29Å; V81-I85 WeakPolarHBondContact O-CG1 3.46Å; V81-I85 PolarHBondContact O-N 3.4Å; V81-I85 VanDerWaalsContact O-N 3.16Å; S82-I85 PolarHBondContact O-N 3.47Å; I85-G87 VanDerWaalsContact C-N 3.33Å; I85-G87 PolarHBondContact O-N 3.46Å; I85-L88 PolarHBondContact O-N 2.7Å; I85-T89 PolarHBondContact O-N 3.43Å; I85-T89 PolarHBondContact O-OG1 3.3Å; I85-V409 HydrophobicContact CB-CG1 4.39Å; I85-V409 HydrophobicContact CG2-CG1 3.48Å; I85-V409 VanDerWaalsContact CG2-CG1 3.48Å |
| 86 | A | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S82 T89 L90 M411 A416 | S82-A86 WeakPolarHBondContact O-CB 3.37Å; S82-A86 PolarHBondContact O-N 3.02Å; A86-T89 WeakPolarHBondContact O-CB 3.41Å; A86-T89 PolarHBondContact O-N 2.91Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 WeakPolarHBondContact O-CG 3.43Å; A86-L90 PolarHBondContact O-N 3.49Å; A86-M411 HydrophobicContact CB-CB 3.78Å; A86-M411 HydrophobicContact CB-CG 4.34Å; A86-A416 HydrophobicContact CB-CB 3.9Å |
| 87 | G | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D83 L84 I85 T89 L90 A91 A416 S420 | D83-G87 WeakPolarHBondContact O-CA 3.27Å; D83-G87 PolarHBondContact O-N 2.94Å; L84-G87 PolarHBondContact O-N 2.87Å; I85-G87 VanDerWaalsContact C-N 3.33Å; I85-G87 PolarHBondContact O-N 3.46Å; G87-T89 VanDerWaalsContact C-N 3.33Å; G87-L90 PolarHBondContact O-N 3.19Å; G87-A91 PolarHBondContact O-N 3.29Å; G87-A416 WeakPolarHBondContact CA-O 3.47Å; G87-S420 WeakPolarHBondContact O-CB 3.43Å |
| 88 | L | 94.9 | Very high | 94.1 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 169.1 | 176.9 | 62.4 | 0 | 0 | 0 | 111 | L84 I85 L90 A91 I92 I423 | L84-L88 PolarHBondContact O-N 3.1Å; I85-L88 PolarHBondContact O-N 2.7Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.33Å; L88-A91 PolarHBondContact O-N 3.26Å; L88-I92 HydrophobicContact CD1-CD1 4.05Å; L88-I92 HydrophobicContact CD1-CG1 4.4Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 WeakPolarHBondContact O-CB 3.5Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.2Å; L88-I92 PolarHBondContact O-N 3.26Å; L88-I423 HydrophobicContact CB-CD1 4.35Å; L88-I423 HydrophobicContact CD1-CD1 3.82Å |
| 89 | T | 92.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | I85 A86 G87 I92 V93 V405 V409 | I85-T89 PolarHBondContact O-N 3.43Å; I85-T89 PolarHBondContact O-OG1 3.3Å; A86-T89 WeakPolarHBondContact O-CB 3.41Å; A86-T89 PolarHBondContact O-N 2.91Å; G87-T89 VanDerWaalsContact C-N 3.33Å; T89-I92 PolarHBondContact O-N 3.35Å; T89-V93 WeakPolarHBondContact O-CG2 3.49Å; T89-V93 PolarHBondContact O-N 3.49Å; T89-V93 VanDerWaalsContact O-N 3.1Å; T89-V405 HydrophobicContact CG2-CG1 3.5Å; T89-V409 HydrophobicContact CG2-CG2 4.23Å |
| 90 | L | 95 | Very high | 94.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 174.6 | -80.5 | 176.7 | 0 | 0 | 0 | 111.6 | A86 G87 L88 I92 V93 H94 S133 R402 A406 M411 A416 | A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 WeakPolarHBondContact O-CG 3.43Å; A86-L90 PolarHBondContact O-N 3.49Å; G87-L90 PolarHBondContact O-N 3.19Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.33Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 PolarHBondContact O-N 3.09Å; L90-V93 PolarHBondContact O-N 3.05Å; L90-V93 VanDerWaalsContact O-N 3.16Å; L90-H94 WeakPolarHBondContact O-CB 3.33Å; L90-H94 PolarHBondContact O-CD2 3.21Å; L90-H94 PolarHBondContact O-N 2.96Å; L90-S133 WeakPolarHBondContact CD2-OG 3.14Å; L90-R402 HydrophobicContact CD2-CB 4.33Å; L90-A406 HydrophobicContact CD1-CB 4.17Å; L90-A406 HydrophobicContact CD2-CB 3.68Å; L90-A406 HydrophobicContact CG-CB 3.78Å; L90-M411 HydrophobicContact CD1-SD 4.47Å; L90-A416 HydrophobicContact CD1-CB 4.12Å |
| 91 | A | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G87 L88 V93 H94 I95 S420 I423 | G87-A91 PolarHBondContact O-N 3.29Å; L88-A91 PolarHBondContact O-N 3.26Å; A91-V93 VanDerWaalsContact C-N 3.29Å; A91-V93 PolarHBondContact O-N 2.96Å; A91-H94 PolarHBondContact O-N 3.24Å; A91-I95 WeakPolarHBondContact O-CD1 3.29Å; A91-I95 VanDerWaalsContact O-CG1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.44Å; A91-I95 PolarHBondContact O-N 3.27Å; A91-S420 WeakPolarHBondContact CA-OG 3.44Å; A91-S420 PolarHBondContact N-OG 3.3Å; A91-I423 HydrophobicContact CB-CB 3.69Å; A91-I423 HydrophobicContact CB-CD1 3.76Å; A91-I423 HydrophobicContact CB-CG1 4.33Å; A91-I423 HydrophobicContact CB-CG2 3.61Å |
| 92 | I | 93 | Very high | 94.2 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 14% | 0.144 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -37.6 | 178.8 | -73.6 | 171.3 | 0 | 0 | 0 | 111.9 | L88 T89 L90 P96 F291 P294 L297 | L88-I92 HydrophobicContact CD1-CD1 4.05Å; L88-I92 HydrophobicContact CD1-CG1 4.4Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 WeakPolarHBondContact O-CB 3.5Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.2Å; L88-I92 PolarHBondContact O-N 3.26Å; T89-I92 PolarHBondContact O-N 3.35Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 PolarHBondContact O-N 3.09Å; I92-P96 WeakPolarHBondContact O-CD 3.47Å; I92-F291 HydrophobicContact CD1-CE2 4.44Å; I92-F291 HydrophobicContact CD1-CZ 3.92Å; I92-P294 HydrophobicContact CB-CB 4.5Å; I92-P294 HydrophobicContact CG2-CB 3Å; I92-P294 HydrophobicContact CG2-CG 3.72Å; I92-L297 HydrophobicContact CB-CD2 4.43Å; I92-L297 HydrophobicContact CG1-CD2 4.27Å; I92-L297 HydrophobicContact CG2-CD2 3.99Å |
| 93 | V | 92.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 19 Ų | 19 | 17% | 0.17 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -79.1 | -35.9 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | T89 L90 A91 I95 P96 Q97 R402 V405 | T89-V93 WeakPolarHBondContact O-CG2 3.49Å; T89-V93 PolarHBondContact O-N 3.49Å; T89-V93 VanDerWaalsContact O-N 3.1Å; L90-V93 PolarHBondContact O-N 3.05Å; L90-V93 VanDerWaalsContact O-N 3.16Å; A91-V93 VanDerWaalsContact C-N 3.29Å; A91-V93 PolarHBondContact O-N 2.96Å; V93-I95 PolarHBondContact O-N 2.69Å; V93-P96 WeakPolarHBondContact O-CD 3.29Å; V93-Q97 HydrophobicContact CG1-CG 4.23Å; V93-Q97 WeakPolarHBondContact O-CB 3.25Å; V93-Q97 WeakPolarHBondContact O-CG 3.41Å; V93-Q97 PolarHBondContact O-N 3.41Å; V93-R402 HydrophobicContact CG1-CG 3.72Å; V93-V405 HydrophobicContact CG2-CG1 4.46Å |
| 94 | H | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | -179.5 | -91.1 | -73.4 | 0 | 0 | 0 | 113.3 | L90 A91 G98 S116 S133 R402 L424 | L90-H94 WeakPolarHBondContact O-CB 3.33Å; L90-H94 PolarHBondContact O-CD2 3.21Å; L90-H94 PolarHBondContact O-N 2.96Å; A91-H94 PolarHBondContact O-N 3.24Å; H94-G98 VanDerWaalsContact O-CA 3.26Å; H94-G98 WeakPolarHBondContact O-CA 3.45Å; H94-G98 PolarHBondContact O-N 2.97Å; H94-S116 VanDerWaalsContact ND1-CB 3.28Å; H94-S116 WeakPolarHBondContact ND1-CB 3.36Å; H94-S116 PolarHBondContact ND1-OG 3.39Å; H94-S116 VanDerWaalsContact ND1-OG 3.13Å; H94-S133 PolarHBondContact NE2-OG 3.38Å; H94-R402 PolarHBondContact CE1-NH1 3.26Å; H94-R402 PolarHBondContact ND1-NH1 3Å; H94-L424 HydrophobicContact CB-CD1 4.02Å; H94-L424 HydrophobicContact CB-CD2 4.14Å |
| 95 | I | 94.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 15.4 Ų | 15.4 | 9% | 0.087 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -56.7 | -175.9 | -64.6 | 157.3 | 0 | 0 | 0 | 111.5 | A91 V93 M99 L113 L297 L300 L424 V427 | A91-I95 WeakPolarHBondContact O-CD1 3.29Å; A91-I95 VanDerWaalsContact O-CG1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.44Å; A91-I95 PolarHBondContact O-N 3.27Å; V93-I95 PolarHBondContact O-N 2.69Å; I95-M99 WeakPolarHBondContact O-CG 3.37Å; I95-M99 PolarHBondContact O-N 2.93Å; I95-M99 VanDerWaalsContact O-N 3.16Å; I95-L113 HydrophobicContact CG2-CD2 4.39Å; I95-L113 WeakPolarHBondContact O-CD2 3.44Å; I95-L297 HydrophobicContact CB-CD1 4.25Å; I95-L297 HydrophobicContact CG2-CD1 3.94Å; I95-L300 HydrophobicContact CG2-CD2 4.36Å; I95-L424 HydrophobicContact CG1-CD2 3.69Å; I95-V427 HydrophobicContact CD1-CG1 4.45Å; I95-V427 HydrophobicContact CD1-CG2 3.63Å; I95-V427 HydrophobicContact CG1-CG1 4.32Å; I95-V427 HydrophobicContact CG1-CG2 4.16Å |
| 96 | P | 92.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | -178.1 | -17.1 | 32.9 | 0 | 0 | 0 | 111.9 | I92 V93 M99 A100 E296 L297 L300 I446 | I92-P96 WeakPolarHBondContact O-CD 3.47Å; V93-P96 WeakPolarHBondContact O-CD 3.29Å; P96-M99 PolarHBondContact O-N 2.87Å; P96-A100 VanDerWaalsContact O-CB 3.23Å; P96-A100 WeakPolarHBondContact O-CB 3.36Å; P96-A100 PolarHBondContact O-N 2.86Å; P96-E296 HydrophobicContact CB-CB 3.65Å; P96-E296 HydrophobicContact CG-CB 3.92Å; P96-L297 HydrophobicContact CG-CB 3.72Å; P96-L297 HydrophobicContact CG-CD1 4.07Å; P96-L300 HydrophobicContact CB-CD2 4.23Å; P96-L300 HydrophobicContact CG-CD2 4.37Å; P96-I446 HydrophobicContact CB-CD1 4.23Å |
| 97 | Q | 92.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 12.7 Ų | 12.7 | 8% | 0.075 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 178.8 | -70.5 | -164.4 | -22.2 | 0 | 0 | 111.9 | V93 M99 A100 Y101 R402 | V93-Q97 HydrophobicContact CG1-CG 4.23Å; V93-Q97 WeakPolarHBondContact O-CB 3.25Å; V93-Q97 WeakPolarHBondContact O-CG 3.41Å; V93-Q97 PolarHBondContact O-N 3.41Å; Q97-M99 PolarHBondContact O-N 3.42Å; Q97-A100 PolarHBondContact O-N 3.4Å; Q97-Y101 HydrophobicContact CB-CD2 4.01Å; Q97-Y101 HydrophobicContact CB-CE2 3.77Å; Q97-Y101 HydrophobicContact CG-CE2 4.08Å; Q97-Y101 WeakPolarHBondContact O-CB 3.26Å; Q97-Y101 VanDerWaalsContact O-CD2 3.27Å; Q97-Y101 WeakPolarHBondContact O-CD2 3.49Å; Q97-Y101 PolarHBondContact O-N 2.84Å; Q97-R402 VanDerWaalsContact OE1-CG 3.29Å |
| 98 | G | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57 | -50.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | H94 G102 G112 T136 | H94-G98 VanDerWaalsContact O-CA 3.26Å; H94-G98 WeakPolarHBondContact O-CA 3.45Å; H94-G98 PolarHBondContact O-N 2.97Å; G98-G102 PolarHBondContact O-N 2.71Å; G98-G112 CarbonylContact O-C 3.58Å; G98-G112 WeakPolarHBondContact O-CA 3.43Å; G98-T136 WeakPolarHBondContact CA-OG1 3.41Å |
| 99 | M | 93.5 | Very high | 93 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 178.4 | -70.8 | -173.2 | 72.9 | 0 | 0 | 113.2 | I95 P96 Q97 G102 V103 P109 L113 L300 L435 V438 L443 | I95-M99 WeakPolarHBondContact O-CG 3.37Å; I95-M99 PolarHBondContact O-N 2.93Å; I95-M99 VanDerWaalsContact O-N 3.16Å; P96-M99 PolarHBondContact O-N 2.87Å; Q97-M99 PolarHBondContact O-N 3.42Å; M99-G102 PolarHBondContact O-N 3.47Å; M99-V103 PolarHBondContact O-N 2.88Å; M99-P109 HydrophobicContact CB-CB 3.91Å; M99-P109 HydrophobicContact CE-CB 3.73Å; M99-P109 HydrophobicContact CE-CG 4.44Å; M99-P109 HydrophobicContact CG-CB 4.07Å; M99-L113 HydrophobicContact CG-CD1 3.89Å; M99-L113 HydrophobicContact CG-CD2 3.86Å; M99-L113 HydrophobicContact CG-CG 3.74Å; M99-L113 HydrophobicContact SD-CD1 4.3Å; M99-L300 HydrophobicContact SD-CD2 3.85Å; M99-L435 HydrophobicContact CE-CB 4.12Å; M99-L435 HydrophobicContact CE-CD1 4.12Å; M99-L435 HydrophobicContact CE-CD2 3.95Å; M99-L435 HydrophobicContact CE-CG 4.28Å; M99-L435 HydrophobicContact SD-CD1 3.94Å; M99-L435 HydrophobicContact SD-CD2 3.76Å; M99-L435 HydrophobicContact SD-CG 4.38Å; M99-V438 HydrophobicContact CE-CG2 4.13Å; M99-L443 HydrophobicContact CB-CD2 3.78Å |
| 100 | A | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | P96 Q97 G102 V103 L104 I446 I447 | P96-A100 VanDerWaalsContact O-CB 3.23Å; P96-A100 WeakPolarHBondContact O-CB 3.36Å; P96-A100 PolarHBondContact O-N 2.86Å; Q97-A100 PolarHBondContact O-N 3.4Å; A100-G102 VanDerWaalsContact C-N 3.32Å; A100-G102 PolarHBondContact O-N 3.26Å; A100-V103 WeakPolarHBondContact O-CB 3.49Å; A100-V103 PolarHBondContact O-N 3.07Å; A100-L104 WeakPolarHBondContact O-CB 3.17Å; A100-L104 PolarHBondContact O-N 3.26Å; A100-I446 HydrophobicContact CB-CB 4.32Å; A100-I446 HydrophobicContact CB-CG2 3.87Å; A100-I447 HydrophobicContact CB-CD1 4.45Å; A100-I447 HydrophobicContact CB-CG1 3.82Å; A100-I447 WeakPolarHBondContact O-CD1 3.41Å |
| 101 | Y | 94.2 | Very high | 93 | Very high | 11 Ų | 11 | 12.6 Ų | 12.6 | 4% | 0.043 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -74.9 | -20.1 | -177.8 | -61.3 | -21.7 | 0 | 0 | 0 | 113.6 | Q97 L104 A105 S141 Q394 S450 | Q97-Y101 HydrophobicContact CB-CD2 4.01Å; Q97-Y101 HydrophobicContact CB-CE2 3.77Å; Q97-Y101 HydrophobicContact CG-CE2 4.08Å; Q97-Y101 WeakPolarHBondContact O-CB 3.26Å; Q97-Y101 VanDerWaalsContact O-CD2 3.27Å; Q97-Y101 WeakPolarHBondContact O-CD2 3.49Å; Q97-Y101 PolarHBondContact O-N 2.84Å; Y101-L104 HydrophobicContact CD1-CD2 3.5Å; Y101-L104 VanDerWaalsContact CD1-CD2 3.5Å; Y101-L104 HydrophobicContact CE1-CD2 4.06Å; Y101-L104 HydrophobicContact CG-CD2 4.37Å; Y101-L104 WeakPolarHBondContact O-CB 3.28Å; Y101-L104 PolarHBondContact O-N 2.91Å; Y101-A105 PolarHBondContact O-N 3.42Å; Y101-S141 WeakPolarHBondContact O-CB 3.32Å; Y101-S141 PolarHBondContact O-OG 2.84Å; Y101-Q394 PolarHBondContact O-NE2 3.22Å; Y101-S450 WeakPolarHBondContact OH-CB 3.33Å |
| 102 | G | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.9 | -47.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G98 M99 A100 L104 A105 V107 | G98-G102 PolarHBondContact O-N 2.71Å; M99-G102 PolarHBondContact O-N 3.47Å; A100-G102 VanDerWaalsContact C-N 3.32Å; A100-G102 PolarHBondContact O-N 3.26Å; G102-L104 PolarHBondContact O-N 3.29Å; G102-A105 PolarHBondContact O-N 2.99Å; G102-V107 CarbonylContact C-O 3.51Å; G102-V107 VanDerWaalsContact O-CG2 3.24Å; G102-V107 WeakPolarHBondContact O-CG2 3.25Å; G102-V107 PolarHBondContact O-N 3.36Å; G102-V107 VanDerWaalsContact O-N 3.17Å; G102-V107 VanDerWaalsContact O-O 3.05Å |
| 103 | V | 92.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 11.3 Ų | 11.3 | 25% | 0.248 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 173.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | M99 A100 A105 G106 V107 P109 L443 | M99-V103 PolarHBondContact O-N 2.88Å; A100-V103 WeakPolarHBondContact O-CB 3.49Å; A100-V103 PolarHBondContact O-N 3.07Å; V103-A105 VanDerWaalsContact C-N 3.29Å; V103-A105 PolarHBondContact O-N 3.48Å; V103-G106 PolarHBondContact O-N 3Å; V103-V107 WeakPolarHBondContact CA-O 3.42Å; V103-P109 HydrophobicContact CG2-CB 4.37Å; V103-P109 HydrophobicContact CG2-CG 3.62Å; V103-L443 HydrophobicContact CG2-CD1 3.73Å |
| 104 | L | 90.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.2 | -36.1 | 179.2 | -167 | 53.5 | 0 | 0 | 0 | 113.1 | A100 Y101 G102 G106 L142 A145 V223 I447 | A100-L104 WeakPolarHBondContact O-CB 3.17Å; A100-L104 PolarHBondContact O-N 3.26Å; Y101-L104 HydrophobicContact CD1-CD2 3.5Å; Y101-L104 VanDerWaalsContact CD1-CD2 3.5Å; Y101-L104 HydrophobicContact CE1-CD2 4.06Å; Y101-L104 HydrophobicContact CG-CD2 4.37Å; Y101-L104 WeakPolarHBondContact O-CB 3.28Å; Y101-L104 PolarHBondContact O-N 2.91Å; G102-L104 PolarHBondContact O-N 3.29Å; L104-G106 PolarHBondContact O-N 3.45Å; L104-L142 HydrophobicContact CD1-CD2 3.48Å; L104-L142 VanDerWaalsContact CD1-CD2 3.48Å; L104-L142 HydrophobicContact CD2-CD2 3.35Å; L104-L142 HydrophobicContact CG-CD2 3.33Å; L104-A145 WeakPolarHBondContact O-CB 3.42Å; L104-V223 HydrophobicContact CD1-CB 4.49Å; L104-V223 HydrophobicContact CD1-CG1 3.28Å; L104-V223 HydrophobicContact CG-CG1 4.46Å; L104-I447 HydrophobicContact CB-CD1 4.14Å; L104-I447 HydrophobicContact CD1-CD1 4.2Å; L104-I447 HydrophobicContact CD1-CG2 3.89Å; L104-I447 HydrophobicContact CD2-CG2 4.14Å |
| 105 | A | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y101 G102 V103 V107 S141 T144 Q394 | Y101-A105 PolarHBondContact O-N 3.42Å; G102-A105 PolarHBondContact O-N 2.99Å; V103-A105 VanDerWaalsContact C-N 3.29Å; V103-A105 PolarHBondContact O-N 3.48Å; A105-V107 HydrophobicContact CB-CG2 4.38Å; A105-S141 WeakPolarHBondContact CA-O 3.4Å; A105-T144 HydrophobicContact CB-CG2 4.22Å; A105-Q394 HydrophobicContact CB-CB 4.39Å; A105-Q394 VanDerWaalsContact CB-CD 3.46Å; A105-Q394 HydrophobicContact CB-CG 4.43Å |
| 106 | G | 89 | Confident | 93.5 | Very high | 13 Ų | 13 | 9.2 Ų | 9.2 | 13% | 0.134 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 16.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V103 L104 R177 | V103-G106 PolarHBondContact O-N 3Å; L104-G106 PolarHBondContact O-N 3.45Å; G106-R177 WeakPolarHBondContact O-CD 3.22Å |
| 107 | V | 92.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 10 Ų | 10 | 9% | 0.085 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -121.8 | 175.5 | 178.2 | -66.5 | 0 | 0 | 0 | 0 | 112 | G102 V103 A105 N111 L178 V181 | G102-V107 CarbonylContact C-O 3.51Å; G102-V107 VanDerWaalsContact O-CG2 3.24Å; G102-V107 WeakPolarHBondContact O-CG2 3.25Å; G102-V107 PolarHBondContact O-N 3.36Å; G102-V107 VanDerWaalsContact O-N 3.17Å; G102-V107 VanDerWaalsContact O-O 3.05Å; V103-V107 WeakPolarHBondContact CA-O 3.42Å; A105-V107 HydrophobicContact CB-CG2 4.38Å; V107-N111 HydrophobicContact CB-CB 4.42Å; V107-N111 HydrophobicContact CG2-CB 3.82Å; V107-L178 HydrophobicContact CG1-CD1 4.39Å; V107-V181 HydrophobicContact CG1-CB 3.95Å; V107-V181 HydrophobicContact CG1-CG1 4.36Å; V107-V181 HydrophobicContact CG1-CG2 3.43Å; V107-V181 VanDerWaalsContact CG1-CG2 3.43Å |
| 108 | K | 91.4 | Very high | 94 | Very high | 71 Ų | 71 | 10.1 Ų | 10.1 | 31% | 0.309 | 5% | 0.053 | S | C | . | . | trans | -63.9 | 147.1 | 177.6 | -65.6 | -179.6 | -178.6 | 175 | 0 | 111.2 | I110 N111 D174 | K108-I110 HydrophobicContact CB-CG2 4.08Å; K108-I110 PolarHBondContact O-N 2.88Å; K108-N111 PolarHBondContact N-ND2 3.38Å; K108-N111 WeakPolarHBondContact O-CB 3.38Å; K108-N111 PolarHBondContact O-N 3.4Å; K108-N111 PolarHBondContact O-ND2 3.27Å; K108-D174 WeakPolarHBondContact CE-OD2 3.23Å; K108-D174 IonicContact NZ-OD2 3.55Å | ||
| 109 | P | 92.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 3% | 0.032 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -54.2 | -31.9 | -179.1 | -24.7 | 30 | 0 | 0 | 0 | 114.7 | M99 V103 N111 G112 L113 V321 L443 | M99-P109 HydrophobicContact CB-CB 3.91Å; M99-P109 HydrophobicContact CE-CB 3.73Å; M99-P109 HydrophobicContact CE-CG 4.44Å; M99-P109 HydrophobicContact CG-CB 4.07Å; V103-P109 HydrophobicContact CG2-CB 4.37Å; V103-P109 HydrophobicContact CG2-CG 3.62Å; P109-N111 VanDerWaalsContact C-N 3.26Å; P109-N111 PolarHBondContact O-N 2.76Å; P109-G112 PolarHBondContact O-N 2.83Å; P109-G112 VanDerWaalsContact O-N 3.12Å; P109-L113 PolarHBondContact O-N 3.04Å; P109-V321 HydrophobicContact CG-CB 4.36Å; P109-V321 HydrophobicContact CG-CG1 3.65Å; P109-V321 HydrophobicContact CG-CG2 3.7Å; P109-L443 HydrophobicContact CB-CD1 4.31Å; P109-L443 HydrophobicContact CG-CD1 3.76Å |
| 110 | I | 92.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.5 | -33.7 | 179.4 | -168.6 | 61.9 | 0 | 0 | 0 | 112.7 | K108 G112 L113 Y114 I324 | K108-I110 HydrophobicContact CB-CG2 4.08Å; K108-I110 PolarHBondContact O-N 2.88Å; I110-G112 PolarHBondContact O-N 3.42Å; I110-L113 HydrophobicContact CD1-CB 4.38Å; I110-L113 HydrophobicContact CD1-CD1 4Å; I110-L113 WeakPolarHBondContact O-CA 3.28Å; I110-L113 WeakPolarHBondContact O-CB 3.45Å; I110-L113 PolarHBondContact O-N 3.43Å; I110-Y114 HydrophobicContact CD1-CE1 4.18Å; I110-Y114 HydrophobicContact CG1-CE1 3.97Å; I110-Y114 HydrophobicContact CG1-CE2 3.83Å; I110-Y114 HydrophobicContact CG2-CE2 4.36Å; I110-Y114 WeakPolarHBondContact O-CD2 3.24Å; I110-Y114 PolarHBondContact O-N 3.35Å; I110-I324 HydrophobicContact CB-CG2 3.64Å; I110-I324 HydrophobicContact CD1-CG2 3.93Å; I110-I324 HydrophobicContact CG1-CG2 3.69Å; I110-I324 HydrophobicContact CG2-CG2 4.07Å |
| 111 | N | 94.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 13.3 Ų | 13.3 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68 | -30.4 | 178.4 | -58.4 | -42.2 | 0 | 0 | 0 | 111.3 | V107 K108 P109 Y114 T115 | V107-N111 HydrophobicContact CB-CB 4.42Å; V107-N111 HydrophobicContact CG2-CB 3.82Å; K108-N111 PolarHBondContact N-ND2 3.38Å; K108-N111 WeakPolarHBondContact O-CB 3.38Å; K108-N111 PolarHBondContact O-N 3.4Å; K108-N111 PolarHBondContact O-ND2 3.27Å; P109-N111 VanDerWaalsContact C-N 3.26Å; P109-N111 PolarHBondContact O-N 2.76Å; N111-Y114 PolarHBondContact O-N 2.93Å; N111-T115 WeakPolarHBondContact O-CB 3.39Å; N111-T115 PolarHBondContact O-N 3.38Å; N111-T115 PolarHBondContact O-OG1 2.88Å |
| 112 | G | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.8 | -29.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G98 P109 I110 T115 S116 T136 | G98-G112 CarbonylContact O-C 3.58Å; G98-G112 WeakPolarHBondContact O-CA 3.43Å; P109-G112 PolarHBondContact O-N 2.83Å; P109-G112 VanDerWaalsContact O-N 3.12Å; I110-G112 PolarHBondContact O-N 3.42Å; G112-T115 PolarHBondContact O-N 3.27Å; G112-S116 PolarHBondContact O-N 3.47Å; G112-S116 PolarHBondContact O-OG 3.49Å; G112-T136 WeakPolarHBondContact O-CG2 3.35Å |
| 113 | L | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 168 | -68.6 | 177 | 0 | 0 | 0 | 111.6 | I95 M99 P109 I110 T115 S116 F117 L424 I428 L435 | I95-L113 HydrophobicContact CG2-CD2 4.39Å; I95-L113 WeakPolarHBondContact O-CD2 3.44Å; M99-L113 HydrophobicContact CG-CD1 3.89Å; M99-L113 HydrophobicContact CG-CD2 3.86Å; M99-L113 HydrophobicContact CG-CG 3.74Å; M99-L113 HydrophobicContact SD-CD1 4.3Å; P109-L113 PolarHBondContact O-N 3.04Å; I110-L113 HydrophobicContact CD1-CB 4.38Å; I110-L113 HydrophobicContact CD1-CD1 4Å; I110-L113 WeakPolarHBondContact O-CA 3.28Å; I110-L113 WeakPolarHBondContact O-CB 3.45Å; I110-L113 PolarHBondContact O-N 3.43Å; L113-T115 VanDerWaalsContact C-N 3.28Å; L113-T115 PolarHBondContact O-N 2.97Å; L113-S116 WeakPolarHBondContact O-CB 3.21Å; L113-S116 PolarHBondContact O-N 3.25Å; L113-F117 PolarHBondContact O-N 3.45Å; L113-L424 HydrophobicContact CD2-CD2 4.49Å; L113-I428 HydrophobicContact CB-CD1 4.42Å; L113-I428 HydrophobicContact CB-CG1 4.24Å; L113-L435 HydrophobicContact CD1-CD1 3.59Å |
| 114 | Y | 96.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.016 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 172.2 | -59.5 | -34.6 | 0 | 0 | 0 | 111.5 | I110 N111 S116 F117 F118 G327 P329 R392 C393 I428 | I110-Y114 HydrophobicContact CD1-CE1 4.18Å; I110-Y114 HydrophobicContact CG1-CE1 3.97Å; I110-Y114 HydrophobicContact CG1-CE2 3.83Å; I110-Y114 HydrophobicContact CG2-CE2 4.36Å; I110-Y114 WeakPolarHBondContact O-CD2 3.24Å; I110-Y114 PolarHBondContact O-N 3.35Å; N111-Y114 PolarHBondContact O-N 2.93Å; Y114-S116 PolarHBondContact O-N 2.87Å; Y114-F117 PolarHBondContact O-N 2.84Å; Y114-F118 PolarHBondContact O-N 3.32Å; Y114-G327 PolarHBondContact OH-O 3.49Å; Y114-P329 HydrophobicContact CD1-CG 4.12Å; Y114-P329 HydrophobicContact CD2-CB 4.23Å; Y114-P329 HydrophobicContact CD2-CG 3.92Å; Y114-P329 HydrophobicContact CE1-CG 4.07Å; Y114-P329 HydrophobicContact CE2-CB 3.8Å; Y114-P329 HydrophobicContact CE2-CG 3.89Å; Y114-P329 HydrophobicContact CG-CG 4.05Å; Y114-R392 HydrophobicContact CD2-CB 4.31Å; Y114-C393 PolarHBondContact O-SG 2.96Å; Y114-I428 HydrophobicContact CD1-CD1 4.01Å; Y114-I428 HydrophobicContact CD1-CG2 4.39Å; Y114-I428 HydrophobicContact CE1-CD1 4.39Å; Y114-I428 HydrophobicContact CE1-CG2 3.71Å |
| 115 | T | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.3 | -21.3 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 112.8 | N111 G112 L113 F117 P119 G135 T136 C393 Q394 | N111-T115 WeakPolarHBondContact O-CB 3.39Å; N111-T115 PolarHBondContact O-N 3.38Å; N111-T115 PolarHBondContact O-OG1 2.88Å; G112-T115 PolarHBondContact O-N 3.27Å; L113-T115 VanDerWaalsContact C-N 3.28Å; L113-T115 PolarHBondContact O-N 2.97Å; T115-F117 VanDerWaalsContact C-N 3.35Å; T115-P119 HydrophobicContact CG2-CG 4.17Å; T115-P119 WeakPolarHBondContact O-CD 3.31Å; T115-P119 WeakPolarHBondContact O-CG 3.42Å; T115-G135 VanDerWaalsContact O-CA 3.29Å; T115-G135 WeakPolarHBondContact O-CA 3.47Å; T115-T136 HydrophobicContact CG2-CG2 3.7Å; T115-C393 HydrophobicContact CG2-CB 4.48Å; T115-C393 WeakPolarHBondContact OG1-CA 3.32Å; T115-C393 WeakPolarHBondContact OG1-CB 3.39Å; T115-Q394 HydrophobicContact CG2-CG 3.79Å; T115-Q394 VanDerWaalsContact CG2-O 3.23Å; T115-Q394 WeakPolarHBondContact CG2-O 3.37Å; T115-Q394 PolarHBondContact OG1-N 3.09Å |
| 116 | S | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -81.7 | -16.1 | 170.5 | -71.7 | 0 | 0 | 0 | 0 | 113.2 | H94 G112 L113 Y114 T136 L424 | H94-S116 VanDerWaalsContact ND1-CB 3.28Å; H94-S116 WeakPolarHBondContact ND1-CB 3.36Å; H94-S116 PolarHBondContact ND1-OG 3.39Å; H94-S116 VanDerWaalsContact ND1-OG 3.13Å; G112-S116 PolarHBondContact O-N 3.47Å; G112-S116 PolarHBondContact O-OG 3.49Å; L113-S116 WeakPolarHBondContact O-CB 3.21Å; L113-S116 PolarHBondContact O-N 3.25Å; Y114-S116 PolarHBondContact O-N 2.87Å; S116-T136 PolarHBondContact OG-OG1 2.95Å; S116-L424 VanDerWaalsContact O-CD1 3.28Å; S116-L424 WeakPolarHBondContact O-CD1 3.23Å |
| 117 | F | 96.8 | Very high | 95.2 | Very high | 17 Ų | 17 | 15.7 Ų | 15.7 | 8% | 0.075 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -101.1 | -62.5 | -176.5 | 170.5 | -99.8 | 0 | 0 | 0 | 112.4 | L113 Y114 T115 A120 L121 L328 C421 L424 L425 I428 | L113-F117 PolarHBondContact O-N 3.45Å; Y114-F117 PolarHBondContact O-N 2.84Å; T115-F117 VanDerWaalsContact C-N 3.35Å; F117-A120 PolarHBondContact O-N 3.47Å; F117-L121 PolarHBondContact O-N 3.08Å; F117-L121 VanDerWaalsContact O-N 3.1Å; F117-L328 HydrophobicContact CE1-CD2 4.03Å; F117-C421 HydrophobicContact CD2-CB 3.81Å; F117-C421 WeakPolarHBondContact CD2-O 3.37Å; F117-C421 HydrophobicContact CE2-CB 3.86Å; F117-C421 WeakPolarHBondContact CE2-O 3.36Å; F117-C421 PolarHBondContact O-SG 3.27Å; F117-C421 VanDerWaalsContact O-SG 3.34Å; F117-L424 HydrophobicContact CB-CB 4.41Å; F117-L424 HydrophobicContact CB-CD1 4.46Å; F117-L424 HydrophobicContact CD2-CB 4.32Å; F117-L425 HydrophobicContact CE2-CB 3.97Å; F117-L425 HydrophobicContact CE2-CD1 4.42Å; F117-L425 HydrophobicContact CZ-CD1 4.25Å; F117-I428 HydrophobicContact CB-CD1 4.17Å; F117-I428 HydrophobicContact CG-CD1 4.46Å |
| 118 | F | 97.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 15.9 Ų | 15.9 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -47.9 | -171.1 | -75.3 | -78.9 | 0 | 0 | 0 | 113.7 | Y114 A120 L121 V122 L328 P329 F391 | Y114-F118 PolarHBondContact O-N 3.32Å; F118-A120 VanDerWaalsContact C-N 3.29Å; F118-A120 PolarHBondContact O-N 3.49Å; F118-L121 WeakPolarHBondContact O-CB 3.35Å; F118-L121 PolarHBondContact O-N 3.34Å; F118-V122 WeakPolarHBondContact O-CG2 3.49Å; F118-V122 PolarHBondContact O-N 3.2Å; F118-L328 HydrophobicContact CE2-CD2 4.41Å; F118-L328 HydrophobicContact CZ-CD2 4.01Å; F118-P329 HydrophobicContact CE2-CG 3.82Å; F118-P329 HydrophobicContact CZ-CG 4.27Å; F118-F391 HydrophobicContact CD1-CB 4.03Å; F118-F391 HydrophobicContact CD1-CD1 4.48Å; F118-F391 AromaticContact CD1-CD2 3.76Å; F118-F391 HydrophobicContact CD1-CD2 3.76Å; F118-F391 HydrophobicContact CD1-CE2 4.36Å; F118-F391 AromaticContact CD1-CG 3.84Å; F118-F391 HydrophobicContact CD1-CG 3.84Å; F118-F391 HydrophobicContact CD2-CB 3.6Å; F118-F391 HydrophobicContact CD2-CG 4.29Å; F118-F391 HydrophobicContact CE1-CB 3.86Å; F118-F391 AromaticContact CE1-CD1 3.68Å; F118-F391 HydrophobicContact CE1-CD1 3.68Å; F118-F391 AromaticContact CE1-CD2 3.74Å; F118-F391 HydrophobicContact CE1-CD2 3.74Å; F118-F391 HydrophobicContact CE1-CE1 4.12Å; F118-F391 HydrophobicContact CE1-CE2 4.19Å; F118-F391 AromaticContact CE1-CG 3.47Å; F118-F391 HydrophobicContact CE1-CG 3.47Å; F118-F391 VanDerWaalsContact CE1-CG 3.47Å; F118-F391 HydrophobicContact CE1-CZ 4.36Å; F118-F391 HydrophobicContact CE2-CB 3.45Å; F118-F391 VanDerWaalsContact CE2-CB 3.45Å; F118-F391 HydrophobicContact CE2-CD1 4.33Å; F118-F391 AromaticContact CE2-CG 3.99Å; F118-F391 HydrophobicContact CE2-CG 3.99Å; F118-F391 HydrophobicContact CG-CB 3.9Å; F118-F391 HydrophobicContact CG-CD2 4.31Å; F118-F391 HydrophobicContact CG-CG 4.23Å; F118-F391 HydrophobicContact CZ-CB 3.57Å; F118-F391 AromaticContact CZ-CD1 3.59Å; F118-F391 HydrophobicContact CZ-CD1 3.59Å; F118-F391 HydrophobicContact CZ-CD2 4.29Å; F118-F391 HydrophobicContact CZ-CE1 4.35Å; F118-F391 AromaticContact CZ-CG 3.56Å; F118-F391 HydrophobicContact CZ-CG 3.56Å |
| 119 | P | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.5 | -38 | 178.7 | -27.7 | 37.3 | 0 | 0 | 0 | 114 | T115 Y123 I134 S384 S396 | T115-P119 HydrophobicContact CG2-CG 4.17Å; T115-P119 WeakPolarHBondContact O-CD 3.31Å; T115-P119 WeakPolarHBondContact O-CG 3.42Å; P119-Y123 WeakPolarHBondContact O-CB 3.46Å; P119-Y123 PolarHBondContact O-N 2.89Å; P119-I134 HydrophobicContact CB-CG2 3.78Å; P119-S384 PolarHBondContact O-OG 2.8Å; P119-S396 VanDerWaalsContact CB-OG 3.29Å; P119-S396 WeakPolarHBondContact CB-OG 3.28Å |
| 120 | A | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 15 Ų | 15 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F117 F118 Y123 F124 | F117-A120 PolarHBondContact O-N 3.47Å; F118-A120 VanDerWaalsContact C-N 3.29Å; F118-A120 PolarHBondContact O-N 3.49Å; A120-Y123 PolarHBondContact O-N 3.45Å; A120-F124 WeakPolarHBondContact O-CB 3.23Å; A120-F124 PolarHBondContact O-N 3Å |
| 121 | L | 96.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 16.2 Ų | 16.2 | 35% | 0.346 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 174.8 | -170.5 | 96.7 | 0 | 0 | 0 | 111.8 | F117 F118 L418 C421 | F117-L121 PolarHBondContact O-N 3.08Å; F117-L121 VanDerWaalsContact O-N 3.1Å; F118-L121 WeakPolarHBondContact O-CB 3.35Å; F118-L121 PolarHBondContact O-N 3.34Å; L121-L418 HydrophobicContact CD1-CD1 4.14Å; L121-C421 HydrophobicContact CD1-CB 4.48Å |
| 122 | V | 96.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 15.8 Ų | 15.8 | 7% | 0.067 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | F118 F124 V125 F126 L383 I387 | F118-V122 WeakPolarHBondContact O-CG2 3.49Å; F118-V122 PolarHBondContact O-N 3.2Å; V122-F124 VanDerWaalsContact C-N 3.34Å; V122-F124 PolarHBondContact O-N 3.03Å; V122-V125 WeakPolarHBondContact O-CB 3.21Å; V122-V125 PolarHBondContact O-N 3.02Å; V122-V125 VanDerWaalsContact O-N 3.11Å; V122-F126 HydrophobicContact CG1-CD2 3.71Å; V122-F126 HydrophobicContact CG1-CE2 3.98Å; V122-F126 WeakPolarHBondContact O-CD2 3.41Å; V122-F126 PolarHBondContact O-N 2.97Å; V122-L383 HydrophobicContact CG1-CB 4.42Å; V122-I387 HydrophobicContact CG1-CD1 3.96Å; V122-I387 HydrophobicContact CG2-CB 4.06Å; V122-I387 HydrophobicContact CG2-CD1 4.46Å; V122-I387 HydrophobicContact CG2-CG2 3.8Å |
| 123 | Y | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 179.6 | -175.2 | -94.7 | 0 | 0 | 0 | 112.2 | P119 A120 V125 F126 G127 S129 V132 I134 E377 A380 S384 Q414 | P119-Y123 WeakPolarHBondContact O-CB 3.46Å; P119-Y123 PolarHBondContact O-N 2.89Å; A120-Y123 PolarHBondContact O-N 3.45Å; Y123-V125 PolarHBondContact O-N 3.29Å; Y123-F126 PolarHBondContact O-N 3.23Å; Y123-G127 WeakPolarHBondContact O-CA 3.37Å; Y123-G127 PolarHBondContact O-N 3.44Å; Y123-S129 VanDerWaalsContact OH-CB 3.23Å; Y123-S129 WeakPolarHBondContact OH-CB 3.38Å; Y123-V132 HydrophobicContact CD1-CG1 4.44Å; Y123-V132 HydrophobicContact CE1-CG1 3.41Å; Y123-V132 VanDerWaalsContact CE1-CG1 3.41Å; Y123-V132 HydrophobicContact CE2-CG1 4.38Å; Y123-V132 WeakPolarHBondContact OH-CG1 3.49Å; Y123-I134 HydrophobicContact CD1-CG1 3.62Å; Y123-I134 HydrophobicContact CD2-CD1 4.24Å; Y123-I134 HydrophobicContact CD2-CG1 3.58Å; Y123-I134 HydrophobicContact CE1-CG1 4.04Å; Y123-I134 HydrophobicContact CE2-CD1 4.25Å; Y123-I134 HydrophobicContact CE2-CG1 3.99Å; Y123-I134 HydrophobicContact CG-CB 4.22Å; Y123-I134 HydrophobicContact CG-CD1 4.46Å; Y123-I134 HydrophobicContact CG-CG1 3.38Å; Y123-E377 WeakPolarHBondContact CE2-OE2 3.46Å; Y123-E377 VanDerWaalsContact OH-CD 3.3Å; Y123-E377 PolarHBondContact OH-OE1 3.06Å; Y123-E377 PolarHBondContact OH-OE2 2.84Å; Y123-A380 HydrophobicContact CD2-CB 4.03Å; Y123-A380 HydrophobicContact CE2-CB 4.04Å; Y123-S384 WeakPolarHBondContact CA-OG 3.14Å; Y123-S384 PolarHBondContact N-OG 2.69Å; Y123-S384 VanDerWaalsContact N-OG 3.14Å; Y123-Q414 HydrophobicContact CE1-CG 4.39Å |
| 124 | F | 95.2 | Very high | 95.7 | Very high | 31 Ų | 31 | 15.9 Ų | 15.9 | 14% | 0.136 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -53 | -36.6 | 172.8 | 165.3 | -97.8 | 0 | 0 | 0 | 112.2 | F67 A120 V122 Q414 I415 L418 | F67-F124 VanDerWaalsContact CB-O 3.25Å; F67-F124 WeakPolarHBondContact CB-O 3.49Å; F67-F124 HydrophobicContact CD2-CE1 4.48Å; F67-F124 HydrophobicContact CD2-CZ 4.22Å; A120-F124 WeakPolarHBondContact O-CB 3.23Å; A120-F124 PolarHBondContact O-N 3Å; V122-F124 VanDerWaalsContact C-N 3.34Å; V122-F124 PolarHBondContact O-N 3.03Å; F124-Q414 HydrophobicContact CD2-CB 3.77Å; F124-Q414 WeakPolarHBondContact CD2-O 3.36Å; F124-I415 HydrophobicContact CE2-CG1 4.08Å; F124-L418 HydrophobicContact CD2-CB 4.46Å; F124-L418 HydrophobicContact CE1-CD2 4.41Å; F124-L418 HydrophobicContact CZ-CD2 4.22Å |
| 125 | V | 94 | Very high | 95.7 | Very high | 40 Ų | 40 | 15.7 Ų | 15.7 | 24% | 0.242 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -78.4 | -41.5 | -177.5 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | F65 V122 Y123 | F65-V125 HydrophobicContact CD1-CG1 3.43Å; F65-V125 VanDerWaalsContact CD1-CG1 3.43Å; F65-V125 HydrophobicContact CE1-CG1 3.77Å; V122-V125 WeakPolarHBondContact O-CB 3.21Å; V122-V125 PolarHBondContact O-N 3.02Å; V122-V125 VanDerWaalsContact O-N 3.11Å; Y123-V125 PolarHBondContact O-N 3.29Å |
| 126 | F | 93.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 15.7 Ų | 15.7 | 15% | 0.145 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -106.1 | -18 | -169.7 | -64.9 | -71.3 | 0 | 0 | 0 | 115.3 | I64 F65 P66 V122 Y123 Q376 A380 L383 I387 | I64-F126 WeakPolarHBondContact O-CD1 3.37Å; F65-F126 HydrophobicContact CD1-CD1 4.47Å; F65-F126 AromaticContact CD1-CE1 3.98Å; F65-F126 HydrophobicContact CD1-CE1 3.98Å; F65-F126 HydrophobicContact CD1-CZ 4.49Å; F65-F126 AromaticContact CE1-CE1 3.7Å; F65-F126 HydrophobicContact CE1-CE1 3.7Å; F65-F126 AromaticContact CE1-CZ 3.92Å; F65-F126 HydrophobicContact CE1-CZ 3.92Å; P66-F126 WeakPolarHBondContact CG-O 3.15Å; V122-F126 HydrophobicContact CG1-CD2 3.71Å; V122-F126 HydrophobicContact CG1-CE2 3.98Å; V122-F126 WeakPolarHBondContact O-CD2 3.41Å; V122-F126 PolarHBondContact O-N 2.97Å; Y123-F126 PolarHBondContact O-N 3.23Å; F126-Q376 WeakPolarHBondContact O-CG 3.43Å; F126-Q376 PolarHBondContact O-NE2 2.82Å; F126-A380 HydrophobicContact CB-CB 3.8Å; F126-A380 WeakPolarHBondContact O-CB 3.44Å; F126-L383 HydrophobicContact CD1-CD1 3.96Å; F126-L383 HydrophobicContact CD2-CB 4.42Å; F126-L383 HydrophobicContact CD2-CD1 4.18Å; F126-L383 HydrophobicContact CE1-CD1 4.08Å; F126-L383 HydrophobicContact CE2-CD1 4.3Å; F126-L383 HydrophobicContact CG-CD1 4.02Å; F126-L383 HydrophobicContact CZ-CD1 4.25Å; F126-I387 HydrophobicContact CE2-CD1 4.41Å |
| 127 | G | 93 | Very high | 95.5 | Very high | 4 Ų | 4 | 17 Ų | 17 | 4% | 0.041 | 8% | 0.083 | C | C | . | . | trans | -78.7 | 151.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y123 | Y123-G127 WeakPolarHBondContact O-CA 3.37Å; Y123-G127 PolarHBondContact O-N 3.44Å | ||
| 128 | T | 91.7 | Very high | 95.1 | Very high | 19 Ų | 19 | 16.5 Ų | 16.5 | 12% | 0.117 | 8% | 0.082 | C | C | . | . | trans | -105.5 | -20.6 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | P66 V372 G373 Q376 E377 | P66-T128 HydrophobicContact CB-CG2 3.82Å; P66-T128 HydrophobicContact CG-CG2 3.96Å; T128-V372 WeakPolarHBondContact OG1-CG1 3.32Å; T128-G373 PolarHBondContact OG1-N 3.45Å; T128-Q376 HydrophobicContact CG2-CB 4.01Å; T128-Q376 HydrophobicContact CG2-CG 3.65Å; T128-E377 VanDerWaalsContact CA-OE1 3.29Å; T128-E377 WeakPolarHBondContact CA-OE1 3.29Å; T128-E377 WeakPolarHBondContact CB-OE1 3.48Å; T128-E377 PolarHBondContact N-OE1 2.87Å; T128-E377 PolarHBondContact OG1-OE1 3.49Å | ||
| 129 | S | 93.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | trans | -72.6 | 131.4 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | Y123 Y370 E377 Q414 | Y123-S129 VanDerWaalsContact OH-CB 3.23Å; Y123-S129 WeakPolarHBondContact OH-CB 3.38Å; S129-Y370 PolarHBondContact OG-OH 3.32Å; S129-E377 PolarHBondContact N-OE1 3.25Å; S129-Q414 WeakPolarHBondContact O-CG 3.29Å; S129-Q414 PolarHBondContact O-NE2 3Å | ||
| 130 | R | 93.8 | Very high | 94.3 | Very high | 56 Ų | 56 | 15.8 Ų | 15.8 | 21% | 0.211 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -74.9 | -25.2 | 179.4 | -64.5 | 177.6 | -172.9 | 179.9 | 2.5 | 114.2 | V70 F74 Y370 M411 S413 Q414 | V70-R130 HydrophobicContact CG1-CG 3.67Å; F74-R130 VanDerWaalsContact CE1-NE 3.34Å; F74-R130 VanDerWaalsContact CE1-NH1 3.35Å; R130-Y370 HydrophobicContact CB-CE1 4.24Å; R130-Y370 HydrophobicContact CB-CE2 4.33Å; R130-Y370 HydrophobicContact CG-CD2 4.41Å; R130-Y370 HydrophobicContact CG-CE1 4.45Å; R130-Y370 HydrophobicContact CG-CE2 4.14Å; R130-Y370 PolarHBondContact N-OH 3.48Å; R130-M411 WeakPolarHBondContact O-CE 3.46Å; R130-S413 CarbonylContact O-C 3.42Å; R130-S413 VanDerWaalsContact O-CA 3.24Å; R130-S413 WeakPolarHBondContact O-CA 3.37Å; R130-Q414 PolarHBondContact O-N 2.97Å |
| 131 | H | 94.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 15.7 Ų | 15.7 | 13% | 0.125 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -118 | -21.7 | -162.9 | -64.1 | 99.2 | 0 | 0 | 0 | 115.1 | S133 Y364 Y370 T403 M411 | H131-S133 PolarHBondContact O-N 3Å; H131-Y364 HydrophobicContact CB-CD1 4.49Å; H131-Y364 HydrophobicContact CB-CG 4.25Å; H131-Y370 AromaticContact CE1-CE1 3.49Å; H131-Y370 VanDerWaalsContact CE1-CE1 3.49Å; H131-Y370 WeakPolarHBondContact CE1-CE1 3.38Å; H131-Y370 AromaticContact ND1-CE1 3.32Å; H131-Y370 VanDerWaalsContact ND1-CE1 3.32Å; H131-Y370 WeakPolarHBondContact ND1-CE1 3.09Å; H131-Y370 AromaticContact ND1-CZ 3.51Å; H131-Y370 PolarHBondContact ND1-OH 2.98Å; H131-T403 WeakPolarHBondContact O-CG2 3.27Å; H131-M411 PolarHBondContact CD2-O 3.16Å; H131-M411 PolarHBondContact NE2-O 3.34Å; H131-M411 WeakPolarHBondContact O-CE 3.38Å |
| 132 | V | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | trans | -68.7 | 132.2 | -171.6 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | Y123 I134 T357 L360 V361 Q414 | Y123-V132 HydrophobicContact CD1-CG1 4.44Å; Y123-V132 HydrophobicContact CE1-CG1 3.41Å; Y123-V132 VanDerWaalsContact CE1-CG1 3.41Å; Y123-V132 HydrophobicContact CE2-CG1 4.38Å; Y123-V132 WeakPolarHBondContact OH-CG1 3.49Å; V132-I134 HydrophobicContact CG1-CD1 4.08Å; V132-I134 HydrophobicContact CG1-CG1 4.37Å; V132-I134 HydrophobicContact CG2-CD1 4.02Å; V132-T357 HydrophobicContact CG2-CG2 4.42Å; V132-L360 HydrophobicContact CG2-CB 4.19Å; V132-L360 HydrophobicContact CG2-CD1 4.42Å; V132-V361 HydrophobicContact CB-CG2 4.05Å; V132-V361 HydrophobicContact CG1-CG2 3.92Å; V132-V361 HydrophobicContact CG2-CG2 4.32Å; V132-Q414 PolarHBondContact O-NE2 3.11Å; V132-Q414 PolarHBondContact O-OE1 3.1Å | ||
| 133 | S | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -95.8 | 106.2 | 174.9 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | L90 H94 H131 G398 A399 R402 T403 | L90-S133 WeakPolarHBondContact CD2-OG 3.14Å; H94-S133 PolarHBondContact NE2-OG 3.38Å; H131-S133 PolarHBondContact O-N 3Å; S133-G398 WeakPolarHBondContact O-CA 3.31Å; S133-A399 PolarHBondContact O-N 3.25Å; S133-R402 PolarHBondContact O-NH2 3.44Å; S133-R402 PolarHBondContact OG-NE 3.45Å; S133-T403 PolarHBondContact N-OG1 2.98Å; S133-T403 VanDerWaalsContact N-OG1 3.14Å | ||
| 134 | I | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137.6 | 177.1 | -57.1 | -54.1 | 0 | 0 | 0 | 110.7 | P119 Y123 V132 T357 L381 | P119-I134 HydrophobicContact CB-CG2 3.78Å; Y123-I134 HydrophobicContact CD1-CG1 3.62Å; Y123-I134 HydrophobicContact CD2-CD1 4.24Å; Y123-I134 HydrophobicContact CD2-CG1 3.58Å; Y123-I134 HydrophobicContact CE1-CG1 4.04Å; Y123-I134 HydrophobicContact CE2-CD1 4.25Å; Y123-I134 HydrophobicContact CE2-CG1 3.99Å; Y123-I134 HydrophobicContact CG-CB 4.22Å; Y123-I134 HydrophobicContact CG-CD1 4.46Å; Y123-I134 HydrophobicContact CG-CG1 3.38Å; V132-I134 HydrophobicContact CG1-CD1 4.08Å; V132-I134 HydrophobicContact CG1-CG1 4.37Å; V132-I134 HydrophobicContact CG2-CD1 4.02Å; I134-T357 HydrophobicContact CD1-CG2 3.85Å; I134-L381 HydrophobicContact CD1-CD1 4.24Å; I134-L381 HydrophobicContact CG2-CD1 4.29Å |
| 135 | G | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | -148.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T115 F137 S396 S397 R402 | T115-G135 VanDerWaalsContact O-CA 3.29Å; T115-G135 WeakPolarHBondContact O-CA 3.47Å; G135-F137 PolarHBondContact O-N 3.39Å; G135-S396 WeakPolarHBondContact O-CA 3.38Å; G135-S396 WeakPolarHBondContact O-CB 3.38Å; G135-S397 PolarHBondContact N-O 3.03Å; G135-S397 PolarHBondContact O-N 3.17Å; G135-S397 VanDerWaalsContact O-O 3.06Å; G135-R402 PolarHBondContact O-NH2 3.13Å |
| 136 | T | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -60.9 | 128.6 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | G98 G112 T115 S116 R402 | G98-T136 WeakPolarHBondContact CA-OG1 3.41Å; G112-T136 WeakPolarHBondContact O-CG2 3.35Å; T115-T136 HydrophobicContact CG2-CG2 3.7Å; S116-T136 PolarHBondContact OG-OG1 2.95Å; T136-R402 VanDerWaalsContact N-NH1 3.19Å; T136-R402 PolarHBondContact O-NH1 3.5Å; T136-R402 PolarHBondContact O-NH2 3.43Å; T136-R402 PolarHBondContact OG1-NH1 3.5Å | ||
| 137 | F | 93.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 9 Ų | 9 | 12% | 0.118 | 5% | 0.046 | C | C | . | . | trans | -125.1 | 138.2 | 174.8 | 174.4 | -135.2 | 0 | 0 | 0 | 109.5 | G135 V139 V140 S141 T356 A399 | G135-F137 PolarHBondContact O-N 3.39Å; F137-V139 HydrophobicContact CD1-CB 4.07Å; F137-V139 HydrophobicContact CE1-CB 3.49Å; F137-V139 VanDerWaalsContact CE1-CB 3.49Å; F137-V139 HydrophobicContact CE1-CG1 4.42Å; F137-V139 HydrophobicContact CE1-CG2 3.78Å; F137-V139 HydrophobicContact CE2-CG2 4.23Å; F137-V139 HydrophobicContact CZ-CB 3.78Å; F137-V139 HydrophobicContact CZ-CG2 3.5Å; F137-V139 PolarHBondContact O-N 3.37Å; F137-V140 HydrophobicContact CB-CB 4.36Å; F137-V140 HydrophobicContact CD1-CB 4.18Å; F137-V140 HydrophobicContact CD1-CG2 3.78Å; F137-V140 PolarHBondContact O-N 3.2Å; F137-S141 WeakPolarHBondContact O-CB 3.4Å; F137-S141 PolarHBondContact O-N 3.34Å; F137-S141 PolarHBondContact O-OG 3.5Å; F137-T356 HydrophobicContact CD1-CG2 4.39Å; F137-T356 HydrophobicContact CE1-CG2 3.69Å; F137-T356 HydrophobicContact CZ-CG2 3.91Å; F137-A399 HydrophobicContact CD2-CB 3.81Å; F137-A399 HydrophobicContact CE2-CB 4.49Å; F137-A399 HydrophobicContact CG-CB 4.46Å | ||
| 138 | S | 88.5 | Confident | 92.2 | Very high | 8 Ų | 8 | 8.8 Ų | 8.8 | 6% | 0.056 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -52.6 | -60.1 | -174.2 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | V140 S141 L142 | S138-V140 PolarHBondContact O-N 3.02Å; S138-S141 WeakPolarHBondContact O-CA 3.33Å; S138-S141 VanDerWaalsContact O-CB 3.3Å; S138-S141 WeakPolarHBondContact O-CB 3.48Å; S138-S141 PolarHBondContact O-N 3.06Å; S138-L142 WeakPolarHBondContact O-CD2 3.21Å; S138-L142 WeakPolarHBondContact O-CG 3.43Å; S138-L142 PolarHBondContact O-N 2.89Å |
| 139 | V | 85.6 | Confident | 91.8 | Very high | 3 Ų | 3 | 8.4 Ų | 8.4 | 2% | 0.018 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -53.9 | -50.5 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | F137 S141 L142 L143 T216 V352 I454 | F137-V139 HydrophobicContact CD1-CB 4.07Å; F137-V139 HydrophobicContact CE1-CB 3.49Å; F137-V139 VanDerWaalsContact CE1-CB 3.49Å; F137-V139 HydrophobicContact CE1-CG1 4.42Å; F137-V139 HydrophobicContact CE1-CG2 3.78Å; F137-V139 HydrophobicContact CE2-CG2 4.23Å; F137-V139 HydrophobicContact CZ-CB 3.78Å; F137-V139 HydrophobicContact CZ-CG2 3.5Å; F137-V139 PolarHBondContact O-N 3.37Å; V139-S141 PolarHBondContact O-N 3.09Å; V139-L142 WeakPolarHBondContact O-CA 3.39Å; V139-L142 VanDerWaalsContact O-CB 3.28Å; V139-L142 WeakPolarHBondContact O-CB 3.38Å; V139-L142 PolarHBondContact O-N 2.7Å; V139-L143 HydrophobicContact CG1-CD1 4.25Å; V139-L143 WeakPolarHBondContact O-CG 3.12Å; V139-L143 PolarHBondContact O-N 3.16Å; V139-T216 HydrophobicContact CB-CG2 4.23Å; V139-T216 HydrophobicContact CG1-CG2 3.66Å; V139-T216 HydrophobicContact CG2-CG2 3.52Å; V139-V352 HydrophobicContact CG1-CG1 3.72Å; V139-I454 HydrophobicContact CG2-CD1 4.33Å |
| 140 | V | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.6 | -35 | -179.7 | 165.1 | 0 | 0 | 0 | 0 | 111.8 | F137 S138 L142 L143 T144 V349 P395 | F137-V140 HydrophobicContact CB-CB 4.36Å; F137-V140 HydrophobicContact CD1-CB 4.18Å; F137-V140 HydrophobicContact CD1-CG2 3.78Å; F137-V140 PolarHBondContact O-N 3.2Å; S138-V140 PolarHBondContact O-N 3.02Å; V140-L142 VanDerWaalsContact C-N 3.35Å; V140-L143 PolarHBondContact O-N 3.31Å; V140-T144 WeakPolarHBondContact O-CB 3.38Å; V140-T144 PolarHBondContact O-N 2.93Å; V140-T144 PolarHBondContact O-OG1 3.16Å; V140-V349 HydrophobicContact CG1-CG1 3.93Å; V140-P395 HydrophobicContact CG1-CB 3.7Å; V140-P395 WeakPolarHBondContact CG1-O 3.35Å |
| 141 | S | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 173.9 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | Y101 A105 F137 S138 V139 T144 A145 Q394 | Y101-S141 WeakPolarHBondContact O-CB 3.32Å; Y101-S141 PolarHBondContact O-OG 2.84Å; A105-S141 WeakPolarHBondContact CA-O 3.4Å; F137-S141 WeakPolarHBondContact O-CB 3.4Å; F137-S141 PolarHBondContact O-N 3.34Å; F137-S141 PolarHBondContact O-OG 3.5Å; S138-S141 WeakPolarHBondContact O-CA 3.33Å; S138-S141 VanDerWaalsContact O-CB 3.3Å; S138-S141 WeakPolarHBondContact O-CB 3.48Å; S138-S141 PolarHBondContact O-N 3.06Å; V139-S141 PolarHBondContact O-N 3.09Å; S141-T144 PolarHBondContact O-N 3.46Å; S141-A145 PolarHBondContact O-N 2.75Å; S141-Q394 PolarHBondContact OG-NE2 2.9Å |
| 142 | L | 86.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 8 Ų | 8 | 6% | 0.063 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 175 | -43.2 | -177.9 | 0 | 0 | 0 | 111 | L104 S138 V139 V140 T144 A145 D146 V223 | L104-L142 HydrophobicContact CD1-CD2 3.48Å; L104-L142 VanDerWaalsContact CD1-CD2 3.48Å; L104-L142 HydrophobicContact CD2-CD2 3.35Å; L104-L142 HydrophobicContact CG-CD2 3.33Å; S138-L142 WeakPolarHBondContact O-CD2 3.21Å; S138-L142 WeakPolarHBondContact O-CG 3.43Å; S138-L142 PolarHBondContact O-N 2.89Å; V139-L142 WeakPolarHBondContact O-CA 3.39Å; V139-L142 VanDerWaalsContact O-CB 3.28Å; V139-L142 WeakPolarHBondContact O-CB 3.38Å; V139-L142 PolarHBondContact O-N 2.7Å; V140-L142 VanDerWaalsContact C-N 3.35Å; L142-T144 VanDerWaalsContact C-N 3.26Å; L142-T144 PolarHBondContact O-N 3.46Å; L142-A145 WeakPolarHBondContact O-CB 3.42Å; L142-A145 PolarHBondContact O-N 3.07Å; L142-A145 VanDerWaalsContact O-N 3.14Å; L142-D146 PolarHBondContact O-N 2.8Å; L142-V223 HydrophobicContact CB-CG2 3.76Å; L142-V223 HydrophobicContact CD1-CB 4.29Å; L142-V223 HydrophobicContact CD1-CG2 3.59Å; L142-V223 HydrophobicContact CD2-CB 3.89Å; L142-V223 HydrophobicContact CD2-CG1 3.62Å; L142-V223 HydrophobicContact CD2-CG2 3.19Å; L142-V223 HydrophobicContact CG-CG2 3.58Å |
| 143 | L | 90 | Very high | 89.5 | Confident | 5 Ų | 5 | 8.9 Ų | 8.9 | 3% | 0.026 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.9 | -33 | -178.6 | -60.1 | 177.4 | 0 | 0 | 0 | 112.1 | V139 V140 A145 P147 F215 I348 V349 V352 V487 | V139-L143 HydrophobicContact CG1-CD1 4.25Å; V139-L143 WeakPolarHBondContact O-CG 3.12Å; V139-L143 PolarHBondContact O-N 3.16Å; V140-L143 PolarHBondContact O-N 3.31Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-P147 VanDerWaalsContact O-CD 3.24Å; L143-P147 WeakPolarHBondContact O-CD 3.49Å; L143-F215 HydrophobicContact CD1-CE1 4.11Å; L143-F215 HydrophobicContact CD1-CZ 4.42Å; L143-F215 HydrophobicContact CD2-CE1 3.78Å; L143-F215 HydrophobicContact CD2-CE2 4.5Å; L143-F215 HydrophobicContact CD2-CZ 3.38Å; L143-F215 HydrophobicContact CG-CE1 4.47Å; L143-F215 HydrophobicContact CG-CZ 4.47Å; L143-I348 HydrophobicContact CD1-CG2 4.19Å; L143-I348 HydrophobicContact CD2-CG2 4.4Å; L143-V349 HydrophobicContact CB-CG2 3.52Å; L143-V349 HydrophobicContact CD1-CG2 4.41Å; L143-V352 HydrophobicContact CD1-CB 3.83Å; L143-V352 HydrophobicContact CD1-CG1 3.85Å; L143-V352 HydrophobicContact CD1-CG2 3.92Å; L143-V487 HydrophobicContact CD2-CG1 3.49Å; L143-V487 VanDerWaalsContact CD2-CG1 3.49Å |
| 144 | T | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -70 | -32.9 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | A105 V140 S141 L142 D146 P147 V148 V181 V184 Q394 P395 | A105-T144 HydrophobicContact CB-CG2 4.22Å; V140-T144 WeakPolarHBondContact O-CB 3.38Å; V140-T144 PolarHBondContact O-N 2.93Å; V140-T144 PolarHBondContact O-OG1 3.16Å; S141-T144 PolarHBondContact O-N 3.46Å; L142-T144 VanDerWaalsContact C-N 3.26Å; L142-T144 PolarHBondContact O-N 3.46Å; T144-D146 VanDerWaalsContact C-N 3.3Å; T144-D146 PolarHBondContact O-N 2.77Å; T144-P147 WeakPolarHBondContact O-CD 3.44Å; T144-P147 WeakPolarHBondContact O-CG 3.36Å; T144-V148 VanDerWaalsContact O-CG2 3.27Å; T144-V148 WeakPolarHBondContact O-CG2 3.27Å; T144-V181 HydrophobicContact CG2-CB 4.26Å; T144-V181 HydrophobicContact CG2-CG1 3.99Å; T144-V181 HydrophobicContact CG2-CG2 3.76Å; T144-V184 HydrophobicContact CG2-CG1 4.45Å; T144-Q394 HydrophobicContact CG2-CB 4.4Å; T144-P395 HydrophobicContact CG2-CG 4.27Å; T144-P395 WeakPolarHBondContact OG1-CD 3.38Å; T144-P395 WeakPolarHBondContact OG1-CG 3.33Å |
| 145 | A | 89.3 | Confident | 86.7 | Confident | 12 Ų | 12 | 15.3 Ų | 15.3 | 10% | 0.099 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.3 | -26.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L104 S141 L142 L143 V148 D149 | L104-A145 WeakPolarHBondContact O-CB 3.42Å; S141-A145 PolarHBondContact O-N 2.75Å; L142-A145 WeakPolarHBondContact O-CB 3.42Å; L142-A145 PolarHBondContact O-N 3.07Å; L142-A145 VanDerWaalsContact O-N 3.14Å; L143-A145 VanDerWaalsContact C-N 3.33Å; A145-V148 WeakPolarHBondContact O-CB 3.23Å; A145-V148 PolarHBondContact O-N 2.77Å; A145-D149 WeakPolarHBondContact O-CB 3.5Å; A145-D149 VanDerWaalsContact O-CG 3.26Å; A145-D149 PolarHBondContact O-N 3.14Å |
| 146 | D | 84.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 21 Ų | 21 | 7% | 0.07 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -56 | -176.8 | -173.6 | 69.3 | 0 | 0 | 0 | 114.1 | L142 T144 V148 D149 R150 R244 | L142-D146 PolarHBondContact O-N 2.8Å; T144-D146 VanDerWaalsContact C-N 3.3Å; T144-D146 PolarHBondContact O-N 2.77Å; D146-V148 PolarHBondContact O-N 2.85Å; D146-D149 PolarHBondContact O-N 3.37Å; D146-R150 WeakPolarHBondContact O-CB 3.39Å; D146-R150 PolarHBondContact O-N 2.95Å; D146-R150 IonicContact OD2-NH1 3.18Å; D146-R150 PolarHBondContact OD2-NH1 3.29Å; D146-R244 IonicContact OD1-NH1 2.7Å |
| 147 | P | 89.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -31.8 | 176.5 | 25 | -33.5 | 0 | 0 | 0 | 112 | L143 T144 L151 V180 V184 V342 E345 | L143-P147 VanDerWaalsContact O-CD 3.24Å; L143-P147 WeakPolarHBondContact O-CD 3.49Å; T144-P147 WeakPolarHBondContact O-CD 3.44Å; T144-P147 WeakPolarHBondContact O-CG 3.36Å; P147-L151 VanDerWaalsContact O-CB 3.28Å; P147-L151 WeakPolarHBondContact O-CB 3.35Å; P147-L151 VanDerWaalsContact O-CG 3.25Å; P147-L151 WeakPolarHBondContact O-CG 3.43Å; P147-L151 PolarHBondContact O-N 3.44Å; P147-V180 HydrophobicContact CB-CG1 4.35Å; P147-V184 HydrophobicContact CG-CG2 3.93Å; P147-V342 HydrophobicContact CB-CB 4.45Å; P147-V342 HydrophobicContact CB-CG1 3.96Å; P147-E345 HydrophobicContact CB-CB 4.44Å; P147-E345 HydrophobicContact CB-CG 4.17Å; P147-E345 HydrophobicContact CG-CB 4.06Å; P147-E345 HydrophobicContact CG-CG 4.15Å |
| 148 | V | 90.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | T144 A145 D146 T152 R177 V180 V181 | T144-V148 VanDerWaalsContact O-CG2 3.27Å; T144-V148 WeakPolarHBondContact O-CG2 3.27Å; A145-V148 WeakPolarHBondContact O-CB 3.23Å; A145-V148 PolarHBondContact O-N 2.77Å; D146-V148 PolarHBondContact O-N 2.85Å; V148-T152 WeakPolarHBondContact O-CB 3.15Å; V148-T152 PolarHBondContact O-N 3.15Å; V148-T152 PolarHBondContact O-OG1 3.34Å; V148-R177 HydrophobicContact CG1-CB 3.85Å; V148-R177 HydrophobicContact CG1-CG 3.69Å; V148-V180 HydrophobicContact CB-CG1 4.48Å; V148-V180 HydrophobicContact CG2-CB 4.13Å; V148-V180 HydrophobicContact CG2-CG1 3.72Å; V148-V181 HydrophobicContact CG2-CG2 3.44Å; V148-V181 VanDerWaalsContact CG2-CG2 3.44Å |
| 149 | D | 84.3 | Confident | 79.3 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 179.3 | -77 | 1.3 | 0 | 0 | 0 | 111.5 | A145 D146 T152 S153 R177 R238 R244 | A145-D149 WeakPolarHBondContact O-CB 3.5Å; A145-D149 VanDerWaalsContact O-CG 3.26Å; A145-D149 PolarHBondContact O-N 3.14Å; D146-D149 PolarHBondContact O-N 3.37Å; D149-T152 PolarHBondContact O-N 3.36Å; D149-S153 VanDerWaalsContact O-CB 3.22Å; D149-S153 WeakPolarHBondContact O-CB 3.32Å; D149-S153 PolarHBondContact O-N 2.55Å; D149-S153 PolarHBondContact O-OG 3.22Å; D149-R177 IonicContact OD1-NH1 2.95Å; D149-R238 IonicContact OD1-CZ 3.78Å; D149-R238 IonicContact OD1-NH1 2.89Å; D149-R238 PolarHBondContact OD1-NH1 3.18Å; D149-R238 IonicContact OD2-NH1 3.88Å; D149-R244 IonicContact OD2-NH2 2.9Å; D149-R244 PolarHBondContact OD2-NH2 3.36Å |
| 150 | R | 84.5 | Confident | 77.9 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -55.9 | 178.4 | -178.5 | 179.3 | 65.2 | -130 | 14.6 | 111.4 | D146 T152 S153 L154 T240 E341 E345 | D146-R150 WeakPolarHBondContact O-CB 3.39Å; D146-R150 PolarHBondContact O-N 2.95Å; D146-R150 IonicContact OD2-NH1 3.18Å; D146-R150 PolarHBondContact OD2-NH1 3.29Å; R150-T152 VanDerWaalsContact C-N 3.3Å; R150-T152 PolarHBondContact O-N 3.18Å; R150-S153 PolarHBondContact O-N 3.23Å; R150-S153 PolarHBondContact O-OG 3.35Å; R150-L154 PolarHBondContact O-N 3.44Å; R150-T240 HydrophobicContact CB-CG2 4.17Å; R150-T240 HydrophobicContact CG-CG2 4.24Å; R150-E341 PolarHBondContact NH2-O 3.33Å; R150-E345 IonicContact CZ-OE1 3.46Å; R150-E345 IonicContact NH1-OE1 3.67Å; R150-E345 PolarHBondContact NH1-OE1 3.27Å; R150-E345 IonicContact NH2-OE1 2.66Å; R150-E345 PolarHBondContact NH2-OE1 3.01Å; R150-E345 IonicContact NH2-OE2 3.15Å; R150-E345 PolarHBondContact NH2-OE2 3.12Å |
| 151 | L | 87 | Confident | 76.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -32.7 | -177.1 | -66.8 | 173.3 | 0 | 0 | 0 | 112.3 | P147 L154 F176 V180 L338 E341 V342 | P147-L151 VanDerWaalsContact O-CB 3.28Å; P147-L151 WeakPolarHBondContact O-CB 3.35Å; P147-L151 VanDerWaalsContact O-CG 3.25Å; P147-L151 WeakPolarHBondContact O-CG 3.43Å; P147-L151 PolarHBondContact O-N 3.44Å; L151-L154 HydrophobicContact CD2-CD1 4.34Å; L151-F176 HydrophobicContact CB-CE1 3.98Å; L151-F176 HydrophobicContact CB-CZ 4.21Å; L151-V180 HydrophobicContact CD1-CG1 4.06Å; L151-V180 HydrophobicContact CD1-CG2 3.9Å; L151-L338 HydrophobicContact CD1-CD2 4.1Å; L151-E341 HydrophobicContact CD2-CB 4.24Å; L151-V342 HydrophobicContact CD1-CG1 3.85Å |
| 152 | T | 83.2 | Confident | 74.6 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.3 | -33.4 | 174.5 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | V148 D149 R150 L154 F155 I173 R177 | V148-T152 WeakPolarHBondContact O-CB 3.15Å; V148-T152 PolarHBondContact O-N 3.15Å; V148-T152 PolarHBondContact O-OG1 3.34Å; D149-T152 PolarHBondContact O-N 3.36Å; R150-T152 VanDerWaalsContact C-N 3.3Å; R150-T152 PolarHBondContact O-N 3.18Å; T152-L154 VanDerWaalsContact C-N 3.28Å; T152-L154 PolarHBondContact O-N 3.35Å; T152-F155 WeakPolarHBondContact O-CB 3.26Å; T152-F155 PolarHBondContact O-N 2.91Å; T152-F155 VanDerWaalsContact O-N 3.13Å; T152-I173 HydrophobicContact CG2-CG2 3.54Å; T152-R177 VanDerWaalsContact CG2-NH2 3.3Å |
| 153 | S | 73.6 | Confident | 73.5 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -28.4 | 178.3 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | D149 R150 F155 D156 T240 | D149-S153 VanDerWaalsContact O-CB 3.22Å; D149-S153 WeakPolarHBondContact O-CB 3.32Å; D149-S153 PolarHBondContact O-N 2.55Å; D149-S153 PolarHBondContact O-OG 3.22Å; R150-S153 PolarHBondContact O-N 3.23Å; R150-S153 PolarHBondContact O-OG 3.35Å; S153-F155 PolarHBondContact O-N 2.86Å; S153-F155 VanDerWaalsContact O-N 3.13Å; S153-D156 PolarHBondContact O-N 2.98Å; S153-D156 VanDerWaalsContact O-N 3.14Å; S153-T240 VanDerWaalsContact OG-CG2 3.28Å; S153-T240 WeakPolarHBondContact OG-CG2 3.39Å |
| 154 | L | 70.4 | Confident | 72.5 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -20.4 | 172.8 | -68.2 | 174.6 | 0 | 0 | 0 | 113.1 | R150 L151 T152 N158 S161 | R150-L154 PolarHBondContact O-N 3.44Å; L151-L154 HydrophobicContact CD2-CD1 4.34Å; T152-L154 VanDerWaalsContact C-N 3.28Å; T152-L154 PolarHBondContact O-N 3.35Å; L154-N158 PolarHBondContact O-N 3.42Å; L154-S161 PolarHBondContact O-OG 3.4Å |
| 155 | F | 65.1 | Low | 71.5 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | 173.5 | -179.5 | -96.3 | 0 | 0 | 0 | 112.5 | T152 S153 V157 L162 I173 | T152-F155 WeakPolarHBondContact O-CB 3.26Å; T152-F155 PolarHBondContact O-N 2.91Å; T152-F155 VanDerWaalsContact O-N 3.13Å; S153-F155 PolarHBondContact O-N 2.86Å; S153-F155 VanDerWaalsContact O-N 3.13Å; F155-V157 VanDerWaalsContact C-N 3.27Å; F155-V157 PolarHBondContact O-N 3.39Å; F155-L162 HydrophobicContact CD2-CB 4.37Å; F155-L162 HydrophobicContact CD2-CD2 4.22Å; F155-I173 HydrophobicContact CD1-CD1 3.96Å; F155-I173 HydrophobicContact CE1-CD1 3.65Å; F155-I173 HydrophobicContact CE2-CD1 4.4Å; F155-I173 HydrophobicContact CG-CD1 4.47Å; F155-I173 HydrophobicContact CZ-CD1 3.89Å |
| 156 | D | 59.2 | Low | 70.5 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 65% | 0.647 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70 | -26.8 | -171.7 | -147.8 | 20 | 0 | 0 | 0 | 111.9 | S153 | S153-D156 PolarHBondContact O-N 2.98Å; S153-D156 VanDerWaalsContact O-N 3.14Å |
| 157 | V | 53.3 | Low | 69.6 | Low | 116 Ų | 116 | 63.6 Ų | 63.6 | 70% | 0.703 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -95.5 | -36.6 | -175.8 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | F155 | F155-V157 VanDerWaalsContact C-N 3.27Å; F155-V157 PolarHBondContact O-N 3.39Å |
| 158 | N | 51.7 | Low | 68.3 | Low | 92 Ų | 92 | 70.4 Ų | 70.4 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | trans | -130.3 | 92.5 | -172.9 | -71.1 | -30.8 | 0 | 0 | 0 | 110.1 | L154 R160 S161 | L154-N158 PolarHBondContact O-N 3.42Å; N158-R160 PolarHBondContact O-N 2.95Å; N158-S161 PolarHBondContact O-N 3.4Å; N158-S161 PolarHBondContact O-OG 3.42Å | ||
| 159 | N | 55.7 | Low | 67.1 | Low | 147 Ų | 147 | 75.4 Ų | 75.4 | 79% | 0.786 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -8.8 | 176 | -77.4 | -7.6 | 0 | 0 | 0 | 115.8 | ||
| 160 | R | 55.6 | Low | 66.2 | Low | 213 Ų | 213 | 77.5 Ų | 77.5 | 80% | 0.804 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -12.2 | 178.8 | -56.3 | -169.1 | -146.8 | 175.5 | 6.2 | 115.7 | N158 L162 | N158-R160 PolarHBondContact O-N 2.95Å; R160-L162 PolarHBondContact O-N 3.46Å |
| 161 | S | 58.1 | Low | 65.5 | Low | 35 Ų | 35 | 82.8 Ų | 82.8 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -31.2 | -168 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | L154 N158 | L154-S161 PolarHBondContact O-OG 3.4Å; N158-S161 PolarHBondContact O-N 3.4Å; N158-S161 PolarHBondContact O-OG 3.42Å |
| 162 | L | 60.2 | Low | 65 | Low | 9 Ų | 9 | 85.5 Ų | 85.5 | 5% | 0.047 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4 | -179 | -107.2 | 76.8 | 0 | 0 | 0 | 115.2 | F155 R160 K164 Y165 N166 V167 F176 | F155-L162 HydrophobicContact CD2-CB 4.37Å; F155-L162 HydrophobicContact CD2-CD2 4.22Å; R160-L162 PolarHBondContact O-N 3.46Å; L162-K164 PolarHBondContact O-N 3.22Å; L162-Y165 HydrophobicContact CG-CD2 4.41Å; L162-Y165 CarbonylContact O-C 3.41Å; L162-Y165 WeakPolarHBondContact O-CA 3.33Å; L162-Y165 PolarHBondContact O-N 3.26Å; L162-N166 PolarHBondContact O-N 3.34Å; L162-N166 VanDerWaalsContact O-N 3.11Å; L162-V167 HydrophobicContact CB-CB 4.14Å; L162-V167 HydrophobicContact CD2-CB 3.57Å; L162-V167 HydrophobicContact CD2-CG1 3.69Å; L162-V167 HydrophobicContact CD2-CG2 3.83Å; L162-V167 HydrophobicContact CG-CB 4.23Å; L162-V167 HydrophobicContact CG-CG2 4.47Å; L162-V167 PolarHBondContact O-N 2.8Å; L162-F176 HydrophobicContact CD1-CE1 4.4Å; L162-F176 HydrophobicContact CD1-CZ 4.43Å; L162-F176 HydrophobicContact CD2-CD1 3.97Å; L162-F176 HydrophobicContact CD2-CD2 4.4Å; L162-F176 HydrophobicContact CD2-CE1 4.11Å; L162-F176 HydrophobicContact CD2-CG 4.11Å; L162-F176 HydrophobicContact CD2-CZ 4.4Å; L162-F176 HydrophobicContact CG-CZ 4.47Å |
| 163 | E | 63.2 | Low | 65 | Low | 115 Ų | 115 | 86.2 Ų | 86.2 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -56.9 | -35.3 | 167.6 | -73.3 | -174.8 | 161.7 | 0 | 0 | 110.4 | Y165 N166 | E163-Y165 PolarHBondContact O-N 3.43Å; E163-N166 PolarHBondContact O-N 3.22Å |
| 164 | K | 68.9 | Low | 65.5 | Low | 117 Ų | 117 | 88.9 Ų | 88.9 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -50.9 | -30.5 | 171.1 | -174.4 | -177.8 | 175.4 | -164.8 | 0 | 113 | L162 R337 E341 | L162-K164 PolarHBondContact O-N 3.22Å; K164-R337 PolarHBondContact O-NH1 3.38Å; K164-E341 IonicContact NZ-OE1 3.74Å; K164-E341 PolarHBondContact NZ-OE1 2.95Å |
| 165 | Y | 72.1 | Confident | 66.4 | Low | 22 Ų | 22 | 89.4 Ų | 89.4 | 9% | 0.086 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -111.4 | 7.6 | -177.3 | -58.3 | -76.3 | 0 | 0 | 0 | 113.7 | L162 E163 F176 R337 L338 | L162-Y165 HydrophobicContact CG-CD2 4.41Å; L162-Y165 CarbonylContact O-C 3.41Å; L162-Y165 WeakPolarHBondContact O-CA 3.33Å; L162-Y165 PolarHBondContact O-N 3.26Å; E163-Y165 PolarHBondContact O-N 3.43Å; Y165-F176 HydrophobicContact CD1-CE2 4.34Å; Y165-F176 HydrophobicContact CD2-CE2 4.18Å; Y165-F176 HydrophobicContact CD2-CZ 4.42Å; Y165-F176 AromaticContact CG-CE2 3.91Å; Y165-F176 HydrophobicContact CG-CE2 3.91Å; Y165-R337 HydrophobicContact CD1-CB 4.36Å; Y165-R337 HydrophobicContact CE1-CB 3.81Å; Y165-R337 PolarHBondContact OH-O 3.12Å; Y165-L338 HydrophobicContact CD1-CD2 3.98Å; Y165-L338 HydrophobicContact CD1-CG 4.34Å; Y165-L338 HydrophobicContact CE1-CD2 3.43Å; Y165-L338 VanDerWaalsContact CE1-CD2 3.43Å; Y165-L338 HydrophobicContact CE1-CG 3.91Å; Y165-L338 HydrophobicContact CE2-CD2 4.38Å |
| 166 | N | 69.1 | Low | 67.6 | Low | 93 Ų | 93 | 87.1 Ų | 87.1 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 38 | 179.6 | -56.9 | -44 | 0 | 0 | 0 | 115.2 | L162 E163 Y168 | L162-N166 PolarHBondContact O-N 3.34Å; L162-N166 VanDerWaalsContact O-N 3.11Å; E163-N166 PolarHBondContact O-N 3.22Å; N166-Y168 HydrophobicContact CB-CE2 4.24Å; N166-Y168 WeakPolarHBondContact O-CD2 3.46Å; N166-Y168 WeakPolarHBondContact O-CE2 3.07Å |
| 167 | V | 66 | Low | 69.2 | Low | 15 Ų | 15 | 82.9 Ų | 82.9 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | trans | -108.7 | 121.7 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | L162 Q172 I173 F176 | L162-V167 HydrophobicContact CB-CB 4.14Å; L162-V167 HydrophobicContact CD2-CB 3.57Å; L162-V167 HydrophobicContact CD2-CG1 3.69Å; L162-V167 HydrophobicContact CD2-CG2 3.83Å; L162-V167 HydrophobicContact CG-CB 4.23Å; L162-V167 HydrophobicContact CG-CG2 4.47Å; L162-V167 PolarHBondContact O-N 2.8Å; V167-Q172 HydrophobicContact CB-CB 4.43Å; V167-Q172 HydrophobicContact CG1-CB 3.6Å; V167-I173 HydrophobicContact CG1-CG1 4.44Å; V167-F176 HydrophobicContact CG2-CB 4.14Å; V167-F176 HydrophobicContact CG2-CD2 4.12Å; V167-F176 HydrophobicContact CG2-CG 4.32Å | ||
| 168 | Y | 61 | Low | 71.1 | Confident | 142 Ų | 142 | 77.9 Ų | 77.9 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | trans | -119.6 | -23.2 | -172.9 | -57 | -81.3 | 0 | 0 | 0 | 113.8 | N166 | N166-Y168 HydrophobicContact CB-CE2 4.24Å; N166-Y168 WeakPolarHBondContact O-CD2 3.46Å; N166-Y168 WeakPolarHBondContact O-CE2 3.07Å | ||
| 169 | N | 66.5 | Low | 73.2 | Confident | 106 Ų | 106 | 74.6 Ų | 74.6 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -134.2 | 159.4 | -168.8 | -69.9 | -24 | 0 | 0 | 0 | 113.7 | K171 Q172 I173 | N169-K171 PolarHBondContact O-N 2.99Å; N169-Q172 HydrophobicContact CB-CG 4.45Å; N169-Q172 WeakPolarHBondContact O-CA 3.48Å; N169-Q172 VanDerWaalsContact O-CB 3.31Å; N169-Q172 WeakPolarHBondContact O-CB 3.28Å; N169-Q172 PolarHBondContact O-N 3.07Å; N169-I173 PolarHBondContact O-N 2.88Å |
| 170 | G | 65.3 | Low | 75.1 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.9 | -37.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q172 I173 | G170-Q172 VanDerWaalsContact C-N 3.25Å; G170-Q172 PolarHBondContact O-N 3.2Å; G170-I173 WeakPolarHBondContact O-CB 3.35Å; G170-I173 PolarHBondContact O-N 3.35Å; G170-I173 VanDerWaalsContact O-N 3.15Å |
| 171 | K | 69.2 | Low | 77.1 | Confident | 168 Ų | 168 | 57.4 Ų | 57.4 | 73% | 0.73 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.8 | -32.9 | 173.2 | -81.4 | -172.2 | 177.2 | -175.2 | 0 | 112.4 | N169 I173 D174 | N169-K171 PolarHBondContact O-N 2.99Å; K171-I173 PolarHBondContact O-N 2.9Å; K171-D174 PolarHBondContact O-N 3.26Å |
| 172 | Q | 77.8 | Confident | 79 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -73.6 | -18 | 178.8 | -63.9 | 170.2 | -40.1 | 0 | 0 | 111.9 | V167 N169 G170 D175 F176 | V167-Q172 HydrophobicContact CB-CB 4.43Å; V167-Q172 HydrophobicContact CG1-CB 3.6Å; N169-Q172 HydrophobicContact CB-CG 4.45Å; N169-Q172 WeakPolarHBondContact O-CA 3.48Å; N169-Q172 VanDerWaalsContact O-CB 3.31Å; N169-Q172 WeakPolarHBondContact O-CB 3.28Å; N169-Q172 PolarHBondContact O-N 3.07Å; G170-Q172 VanDerWaalsContact C-N 3.25Å; G170-Q172 PolarHBondContact O-N 3.2Å; Q172-D175 PolarHBondContact O-N 2.97Å; Q172-F176 VanDerWaalsContact O-CB 3.24Å; Q172-F176 WeakPolarHBondContact O-CB 3.25Å; Q172-F176 PolarHBondContact O-N 2.92Å |
| 173 | I | 82.4 | Confident | 80.7 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 14% | 0.138 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | 173.7 | -59.8 | 176.5 | 0 | 0 | 0 | 110.5 | T152 F155 V167 N169 G170 K171 D175 F176 R177 | T152-I173 HydrophobicContact CG2-CG2 3.54Å; F155-I173 HydrophobicContact CD1-CD1 3.96Å; F155-I173 HydrophobicContact CE1-CD1 3.65Å; F155-I173 HydrophobicContact CE2-CD1 4.4Å; F155-I173 HydrophobicContact CG-CD1 4.47Å; F155-I173 HydrophobicContact CZ-CD1 3.89Å; V167-I173 HydrophobicContact CG1-CG1 4.44Å; N169-I173 PolarHBondContact O-N 2.88Å; G170-I173 WeakPolarHBondContact O-CB 3.35Å; G170-I173 PolarHBondContact O-N 3.35Å; G170-I173 VanDerWaalsContact O-N 3.15Å; K171-I173 PolarHBondContact O-N 2.9Å; I173-D175 VanDerWaalsContact C-N 3.31Å; I173-D175 PolarHBondContact O-N 3.44Å; I173-F176 PolarHBondContact O-N 2.75Å; I173-R177 HydrophobicContact CG2-CG 4.38Å; I173-R177 VanDerWaalsContact O-CG 3.25Å; I173-R177 WeakPolarHBondContact O-CG 3.41Å; I173-R177 PolarHBondContact O-N 3.16Å |
| 174 | D | 84.5 | Confident | 82.4 | Confident | 74 Ų | 74 | 50 Ų | 50 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 177.3 | -81 | -7.5 | 0 | 0 | 0 | 111.7 | K108 K171 R177 L178 | K108-D174 WeakPolarHBondContact CE-OD2 3.23Å; K108-D174 IonicContact NZ-OD2 3.55Å; K171-D174 PolarHBondContact O-N 3.26Å; D174-R177 PolarHBondContact O-N 3.07Å; D174-L178 PolarHBondContact O-N 2.93Å |
| 175 | D | 88.4 | Confident | 83.8 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.3 | -36.1 | 176.6 | -66.5 | -25.2 | 0 | 0 | 0 | 111.5 | Q172 I173 L178 T179 | Q172-D175 PolarHBondContact O-N 2.97Å; I173-D175 VanDerWaalsContact C-N 3.31Å; I173-D175 PolarHBondContact O-N 3.44Å; D175-L178 PolarHBondContact O-N 2.95Å; D175-T179 PolarHBondContact O-N 3.45Å; D175-T179 PolarHBondContact O-OG1 2.95Å |
| 176 | F | 90.7 | Very high | 85 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 173 | 179.4 | -105.1 | 0 | 0 | 0 | 111.7 | L151 L162 Y165 V167 Q172 I173 L178 T179 V180 L338 | L151-F176 HydrophobicContact CB-CE1 3.98Å; L151-F176 HydrophobicContact CB-CZ 4.21Å; L162-F176 HydrophobicContact CD1-CE1 4.4Å; L162-F176 HydrophobicContact CD1-CZ 4.43Å; L162-F176 HydrophobicContact CD2-CD1 3.97Å; L162-F176 HydrophobicContact CD2-CD2 4.4Å; L162-F176 HydrophobicContact CD2-CE1 4.11Å; L162-F176 HydrophobicContact CD2-CG 4.11Å; L162-F176 HydrophobicContact CD2-CZ 4.4Å; L162-F176 HydrophobicContact CG-CZ 4.47Å; Y165-F176 HydrophobicContact CD1-CE2 4.34Å; Y165-F176 HydrophobicContact CD2-CE2 4.18Å; Y165-F176 HydrophobicContact CD2-CZ 4.42Å; Y165-F176 AromaticContact CG-CE2 3.91Å; Y165-F176 HydrophobicContact CG-CE2 3.91Å; V167-F176 HydrophobicContact CG2-CB 4.14Å; V167-F176 HydrophobicContact CG2-CD2 4.12Å; V167-F176 HydrophobicContact CG2-CG 4.32Å; Q172-F176 VanDerWaalsContact O-CB 3.24Å; Q172-F176 WeakPolarHBondContact O-CB 3.25Å; Q172-F176 PolarHBondContact O-N 2.92Å; I173-F176 PolarHBondContact O-N 2.75Å; F176-L178 VanDerWaalsContact C-N 3.26Å; F176-L178 PolarHBondContact O-N 3.48Å; F176-T179 WeakPolarHBondContact O-CA 3.48Å; F176-T179 WeakPolarHBondContact O-CB 3.48Å; F176-T179 PolarHBondContact O-N 3.37Å; F176-V180 HydrophobicContact CD1-CG2 4.27Å; F176-V180 HydrophobicContact CE1-CG2 3.86Å; F176-V180 HydrophobicContact CE2-CG2 4.28Å; F176-V180 HydrophobicContact CZ-CG2 3.87Å; F176-V180 WeakPolarHBondContact O-CG2 3.35Å; F176-V180 PolarHBondContact O-N 3.41Å; F176-L338 HydrophobicContact CE2-CD1 4.38Å; F176-L338 HydrophobicContact CE2-CD2 4.03Å; F176-L338 HydrophobicContact CZ-CD2 4.07Å |
| 177 | R | 93 | Very high | 86.4 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54 | -46.1 | 173.9 | -71.6 | 172.2 | 174.3 | -79.9 | -2.2 | 110.7 | G106 V148 D149 T152 I173 D174 V180 V181 R238 | G106-R177 WeakPolarHBondContact O-CD 3.22Å; V148-R177 HydrophobicContact CG1-CB 3.85Å; V148-R177 HydrophobicContact CG1-CG 3.69Å; D149-R177 IonicContact OD1-NH1 2.95Å; T152-R177 VanDerWaalsContact CG2-NH2 3.3Å; I173-R177 HydrophobicContact CG2-CG 4.38Å; I173-R177 VanDerWaalsContact O-CG 3.25Å; I173-R177 WeakPolarHBondContact O-CG 3.41Å; I173-R177 PolarHBondContact O-N 3.16Å; D174-R177 PolarHBondContact O-N 3.07Å; R177-V180 PolarHBondContact O-N 2.95Å; R177-V181 WeakPolarHBondContact O-CG2 3.28Å; R177-V181 PolarHBondContact O-N 3.21Å; R177-R238 VanDerWaalsContact NH1-NH1 3.14Å |
| 178 | L | 94.5 | Very high | 87.9 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.9 | 179.5 | 58.9 | 0 | 0 | 0 | 112.3 | V107 D174 D175 F176 V180 V181 I182 R392 | V107-L178 HydrophobicContact CG1-CD1 4.39Å; D174-L178 PolarHBondContact O-N 2.93Å; D175-L178 PolarHBondContact O-N 2.95Å; F176-L178 VanDerWaalsContact C-N 3.26Å; F176-L178 PolarHBondContact O-N 3.48Å; L178-V180 PolarHBondContact O-N 3.22Å; L178-V181 PolarHBondContact O-N 3.36Å; L178-I182 HydrophobicContact CD1-CD1 3.96Å; L178-I182 HydrophobicContact CD1-CG1 4.16Å; L178-I182 HydrophobicContact CD2-CD1 4.48Å; L178-I182 HydrophobicContact CG-CD1 3.79Å; L178-I182 HydrophobicContact CG-CG1 4.44Å; L178-I182 VanDerWaalsContact O-CG1 3.29Å; L178-I182 WeakPolarHBondContact O-CG1 3.07Å; L178-I182 PolarHBondContact O-N 2.87Å; L178-R392 HydrophobicContact CD1-CB 4.27Å; L178-R392 HydrophobicContact CD2-CG 4.45Å |
| 179 | T | 95 | Very high | 89.6 | Confident | 22 Ų | 22 | 32.9 Ų | 32.9 | 14% | 0.135 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 177.6 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | D175 F176 V181 I182 T183 M332 D335 L338 | D175-T179 PolarHBondContact O-N 3.45Å; D175-T179 PolarHBondContact O-OG1 2.95Å; F176-T179 WeakPolarHBondContact O-CA 3.48Å; F176-T179 WeakPolarHBondContact O-CB 3.48Å; F176-T179 PolarHBondContact O-N 3.37Å; T179-V181 PolarHBondContact O-N 3.2Å; T179-I182 PolarHBondContact O-N 3.22Å; T179-T183 PolarHBondContact O-N 3.26Å; T179-T183 PolarHBondContact O-OG1 3.1Å; T179-T183 VanDerWaalsContact O-OG1 3.1Å; T179-M332 HydrophobicContact CG2-CE 4.19Å; T179-M332 WeakPolarHBondContact OG1-CE 3.29Å; T179-D335 HydrophobicContact CG2-CB 3.71Å; T179-L338 HydrophobicContact CG2-CD1 3.98Å |
| 180 | V | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.9 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | P147 V148 L151 F176 R177 L178 I182 T183 V184 L338 V342 | P147-V180 HydrophobicContact CB-CG1 4.35Å; V148-V180 HydrophobicContact CB-CG1 4.48Å; V148-V180 HydrophobicContact CG2-CB 4.13Å; V148-V180 HydrophobicContact CG2-CG1 3.72Å; L151-V180 HydrophobicContact CD1-CG1 4.06Å; L151-V180 HydrophobicContact CD1-CG2 3.9Å; F176-V180 HydrophobicContact CD1-CG2 4.27Å; F176-V180 HydrophobicContact CE1-CG2 3.86Å; F176-V180 HydrophobicContact CE2-CG2 4.28Å; F176-V180 HydrophobicContact CZ-CG2 3.87Å; F176-V180 WeakPolarHBondContact O-CG2 3.35Å; F176-V180 PolarHBondContact O-N 3.41Å; R177-V180 PolarHBondContact O-N 2.95Å; L178-V180 PolarHBondContact O-N 3.22Å; V180-I182 PolarHBondContact O-N 3.48Å; V180-T183 PolarHBondContact O-N 3.04Å; V180-V184 HydrophobicContact CG1-CG2 4.44Å; V180-V184 WeakPolarHBondContact O-CG2 3.24Å; V180-V184 PolarHBondContact O-N 3.16Å; V180-L338 HydrophobicContact CG2-CD1 3.85Å; V180-L338 HydrophobicContact CG2-CD2 4.42Å; V180-V342 HydrophobicContact CG1-CG1 4.24Å |
| 181 | V | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 178.9 | 167.7 | 0 | 0 | 0 | 0 | 112.5 | V107 T144 V148 R177 L178 T179 V184 C185 Q394 | V107-V181 HydrophobicContact CG1-CB 3.95Å; V107-V181 HydrophobicContact CG1-CG1 4.36Å; V107-V181 HydrophobicContact CG1-CG2 3.43Å; V107-V181 VanDerWaalsContact CG1-CG2 3.43Å; T144-V181 HydrophobicContact CG2-CB 4.26Å; T144-V181 HydrophobicContact CG2-CG1 3.99Å; T144-V181 HydrophobicContact CG2-CG2 3.76Å; V148-V181 HydrophobicContact CG2-CG2 3.44Å; V148-V181 VanDerWaalsContact CG2-CG2 3.44Å; R177-V181 WeakPolarHBondContact O-CG2 3.28Å; R177-V181 PolarHBondContact O-N 3.21Å; L178-V181 PolarHBondContact O-N 3.36Å; T179-V181 PolarHBondContact O-N 3.2Å; V181-V184 PolarHBondContact O-N 3.34Å; V181-C185 WeakPolarHBondContact O-CB 3.25Å; V181-C185 PolarHBondContact O-N 3.3Å; V181-Q394 VanDerWaalsContact CG1-CA 3.47Å; V181-Q394 HydrophobicContact CG1-CB 3.36Å |
| 182 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 177.4 | -70.6 | 166.2 | 0 | 0 | 0 | 110.5 | L178 T179 V180 V184 C185 I186 M332 P334 G389 R392 | L178-I182 HydrophobicContact CD1-CD1 3.96Å; L178-I182 HydrophobicContact CD1-CG1 4.16Å; L178-I182 HydrophobicContact CD2-CD1 4.48Å; L178-I182 HydrophobicContact CG-CD1 3.79Å; L178-I182 HydrophobicContact CG-CG1 4.44Å; L178-I182 VanDerWaalsContact O-CG1 3.29Å; L178-I182 WeakPolarHBondContact O-CG1 3.07Å; L178-I182 PolarHBondContact O-N 2.87Å; T179-I182 PolarHBondContact O-N 3.22Å; V180-I182 PolarHBondContact O-N 3.48Å; I182-V184 VanDerWaalsContact C-N 3.33Å; I182-V184 PolarHBondContact O-N 3.36Å; I182-C185 WeakPolarHBondContact O-CB 3.46Å; I182-C185 PolarHBondContact O-N 2.88Å; I182-I186 HydrophobicContact CG2-CD1 3.85Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 WeakPolarHBondContact O-CG1 3.19Å; I182-I186 PolarHBondContact O-N 2.93Å; I182-M332 HydrophobicContact CD1-CB 4.1Å; I182-M332 HydrophobicContact CD1-CE 4.18Å; I182-M332 HydrophobicContact CD1-CG 3.92Å; I182-M332 HydrophobicContact CD1-SD 3.48Å; I182-M332 WeakPolarHBondContact CD1-SD 3.15Å; I182-P334 HydrophobicContact CG2-CB 4.43Å; I182-G389 WeakPolarHBondContact CG2-O 3.2Å; I182-R392 HydrophobicContact CD1-CB 4.29Å; I182-R392 HydrophobicContact CD1-CG 4.18Å |
| 183 | T | 97.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | T179 V180 C185 L187 P334 D335 L338 V339 V342 | T179-T183 PolarHBondContact O-N 3.26Å; T179-T183 PolarHBondContact O-OG1 3.1Å; T179-T183 VanDerWaalsContact O-OG1 3.1Å; V180-T183 PolarHBondContact O-N 3.04Å; T183-C185 PolarHBondContact O-N 3.24Å; T183-L187 WeakPolarHBondContact O-CB 3.35Å; T183-L187 PolarHBondContact O-N 3.13Å; T183-P334 HydrophobicContact CG2-CB 4.5Å; T183-D335 PolarHBondContact OG1-N 3.14Å; T183-L338 HydrophobicContact CG2-CB 4.15Å; T183-V339 HydrophobicContact CG2-CG2 4.05Å; T183-V342 HydrophobicContact CG2-CG2 3.9Å |
| 184 | V | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | T144 P147 V180 V181 I182 L187 T188 V342 S346 V349 P395 | T144-V184 HydrophobicContact CG2-CG1 4.45Å; P147-V184 HydrophobicContact CG-CG2 3.93Å; V180-V184 HydrophobicContact CG1-CG2 4.44Å; V180-V184 WeakPolarHBondContact O-CG2 3.24Å; V180-V184 PolarHBondContact O-N 3.16Å; V181-V184 PolarHBondContact O-N 3.34Å; I182-V184 VanDerWaalsContact C-N 3.33Å; I182-V184 PolarHBondContact O-N 3.36Å; V184-L187 PolarHBondContact O-N 3.05Å; V184-T188 WeakPolarHBondContact O-CB 3.25Å; V184-T188 PolarHBondContact O-N 2.84Å; V184-T188 PolarHBondContact O-OG1 2.94Å; V184-T188 VanDerWaalsContact O-OG1 3.06Å; V184-V342 HydrophobicContact CG2-CB 3.86Å; V184-V342 HydrophobicContact CG2-CG1 4.25Å; V184-V342 HydrophobicContact CG2-CG2 3.99Å; V184-S346 WeakPolarHBondContact CA-OG 3.21Å; V184-S346 PolarHBondContact O-OG 2.71Å; V184-V349 HydrophobicContact CG1-CG2 4.34Å; V184-P395 HydrophobicContact CG1-CG 3.91Å |
| 185 | C | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -51.7 | 178.6 | -171 | 0 | 0 | 0 | 0 | 112.7 | V181 I182 T183 T188 G189 N385 C393 Q394 P395 | V181-C185 WeakPolarHBondContact O-CB 3.25Å; V181-C185 PolarHBondContact O-N 3.3Å; I182-C185 WeakPolarHBondContact O-CB 3.46Å; I182-C185 PolarHBondContact O-N 2.88Å; T183-C185 PolarHBondContact O-N 3.24Å; C185-T188 PolarHBondContact O-N 3.19Å; C185-G189 PolarHBondContact O-N 3.48Å; C185-N385 PolarHBondContact SG-O 2.98Å; C185-C393 WeakPolarHBondContact CB-O 3.4Å; C185-C393 PolarHBondContact SG-O 2.73Å; C185-Q394 PolarHBondContact SG-O 2.71Å; C185-P395 HydrophobicContact CB-CG 4.09Å |
| 186 | I | 98.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 5% | 0.051 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | -179.5 | -67.3 | 174.4 | 0 | 0 | 0 | 110.3 | I182 G189 L190 P334 F390 | I182-I186 HydrophobicContact CG2-CD1 3.85Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 WeakPolarHBondContact O-CG1 3.19Å; I182-I186 PolarHBondContact O-N 2.93Å; I186-G189 PolarHBondContact O-N 2.73Å; I186-L190 HydrophobicContact CG2-CD1 4.02Å; I186-L190 HydrophobicContact CG2-CG 4.29Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.24Å; I186-P334 HydrophobicContact CD1-CB 4.01Å; I186-P334 HydrophobicContact CD1-CG 3.68Å; I186-P334 HydrophobicContact CG2-CG 4.46Å; I186-F390 HydrophobicContact CD1-CD1 3.98Å; I186-F390 HydrophobicContact CD1-CD2 4.45Å; I186-F390 HydrophobicContact CD1-CE1 3.92Å; I186-F390 HydrophobicContact CD1-CE2 4.4Å; I186-F390 HydrophobicContact CD1-CG 4.25Å; I186-F390 HydrophobicContact CD1-CZ 4.14Å |
| 187 | L | 97.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 21.6 Ų | 21.6 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | -179.7 | -173.3 | 57.7 | 0 | 0 | 0 | 111.9 | T183 V184 G189 L190 F191 V339 V342 L343 | T183-L187 WeakPolarHBondContact O-CB 3.35Å; T183-L187 PolarHBondContact O-N 3.13Å; V184-L187 PolarHBondContact O-N 3.05Å; L187-G189 VanDerWaalsContact C-N 3.34Å; L187-G189 PolarHBondContact O-N 3.13Å; L187-L190 PolarHBondContact O-N 3.39Å; L187-F191 HydrophobicContact CD1-CD2 4.13Å; L187-F191 HydrophobicContact CD1-CE2 3.73Å; L187-F191 HydrophobicContact CD2-CE2 4.39Å; L187-F191 HydrophobicContact CG-CD2 4.02Å; L187-F191 HydrophobicContact CG-CE2 3.73Å; L187-F191 WeakPolarHBondContact O-CD2 3.43Å; L187-F191 PolarHBondContact O-N 3.27Å; L187-V339 HydrophobicContact CD2-CG1 4.15Å; L187-V342 HydrophobicContact CD2-CG2 4.21Å; L187-L343 HydrophobicContact CD1-CD1 4.22Å; L187-L343 HydrophobicContact CD2-CD1 3.84Å; L187-L343 HydrophobicContact CG-CD1 4.41Å |
| 188 | T | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.3 | -49.4 | 169.7 | -75.8 | 0 | 0 | 0 | 0 | 110.9 | V184 C185 L190 F191 Q192 S346 V349 P395 | V184-T188 WeakPolarHBondContact O-CB 3.25Å; V184-T188 PolarHBondContact O-N 2.84Å; V184-T188 PolarHBondContact O-OG1 2.94Å; V184-T188 VanDerWaalsContact O-OG1 3.06Å; C185-T188 PolarHBondContact O-N 3.19Å; T188-L190 PolarHBondContact O-N 2.8Å; T188-F191 PolarHBondContact O-N 2.89Å; T188-Q192 VanDerWaalsContact O-CG 3.26Å; T188-Q192 WeakPolarHBondContact O-CG 3.37Å; T188-Q192 PolarHBondContact O-N 2.87Å; T188-S346 PolarHBondContact OG1-O 3.38Å; T188-V349 HydrophobicContact CG2-CG1 4.13Å; T188-P395 HydrophobicContact CG2-CB 4.35Å |
| 189 | G | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | C185 I186 L187 F191 Q192 V193 G382 | C185-G189 PolarHBondContact O-N 3.48Å; I186-G189 PolarHBondContact O-N 2.73Å; L187-G189 VanDerWaalsContact C-N 3.34Å; L187-G189 PolarHBondContact O-N 3.13Å; G189-F191 VanDerWaalsContact C-N 3.35Å; G189-F191 PolarHBondContact O-N 2.66Å; G189-Q192 PolarHBondContact O-N 3.25Å; G189-V193 WeakPolarHBondContact O-CG2 3.25Å; G189-V193 PolarHBondContact O-N 3.5Å; G189-G382 VanDerWaalsContact CA-O 3.31Å; G189-G382 WeakPolarHBondContact CA-O 3Å; G189-G382 WeakPolarHBondContact O-CA 3.49Å |
| 190 | L | 97.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 36.6 Ų | 36.6 | 48% | 0.482 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 177 | -73.7 | 174 | 0 | 0 | 0 | 111.8 | I186 L187 T188 V193 A194 V386 | I186-L190 HydrophobicContact CG2-CD1 4.02Å; I186-L190 HydrophobicContact CG2-CG 4.29Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.24Å; L187-L190 PolarHBondContact O-N 3.39Å; T188-L190 PolarHBondContact O-N 2.8Å; L190-V193 PolarHBondContact O-N 3.42Å; L190-A194 VanDerWaalsContact O-CB 3.31Å; L190-A194 WeakPolarHBondContact O-CB 3.17Å; L190-A194 PolarHBondContact O-N 2.98Å; L190-V386 HydrophobicContact CD2-CG2 4.07Å; L190-V386 HydrophobicContact CG-CG2 4.06Å |
| 191 | F | 95.2 | Very high | 93 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.4 | -83.7 | -64.9 | 0 | 0 | 0 | 112.1 | L187 T188 G189 A194 L195 L343 V347 | L187-F191 HydrophobicContact CD1-CD2 4.13Å; L187-F191 HydrophobicContact CD1-CE2 3.73Å; L187-F191 HydrophobicContact CD2-CE2 4.39Å; L187-F191 HydrophobicContact CG-CD2 4.02Å; L187-F191 HydrophobicContact CG-CE2 3.73Å; L187-F191 WeakPolarHBondContact O-CD2 3.43Å; L187-F191 PolarHBondContact O-N 3.27Å; T188-F191 PolarHBondContact O-N 2.89Å; G189-F191 VanDerWaalsContact C-N 3.35Å; G189-F191 PolarHBondContact O-N 2.66Å; F191-A194 PolarHBondContact O-N 2.83Å; F191-L195 VanDerWaalsContact O-CG 3.3Å; F191-L195 WeakPolarHBondContact O-CG 3.18Å; F191-L195 PolarHBondContact O-N 3.47Å; F191-L343 HydrophobicContact CE2-CD1 3.72Å; F191-L343 HydrophobicContact CZ-CD1 3.58Å; F191-L343 HydrophobicContact CZ-CG 4.38Å; F191-V347 HydrophobicContact CD1-CG2 4.23Å; F191-V347 HydrophobicContact CD2-CG2 3.9Å; F191-V347 HydrophobicContact CE1-CG2 3.83Å; F191-V347 HydrophobicContact CE2-CG2 3.45Å; F191-V347 VanDerWaalsContact CE2-CG2 3.45Å; F191-V347 HydrophobicContact CG-CG2 4.27Å; F191-V347 HydrophobicContact CZ-CG2 3.41Å; F191-V347 VanDerWaalsContact CZ-CG2 3.41Å |
| 192 | Q | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.6 | -66.5 | 173.8 | -24.1 | 0 | 0 | 111.8 | T188 G189 L195 G196 S350 L354 L381 N385 | T188-Q192 VanDerWaalsContact O-CG 3.26Å; T188-Q192 WeakPolarHBondContact O-CG 3.37Å; T188-Q192 PolarHBondContact O-N 2.87Å; G189-Q192 PolarHBondContact O-N 3.25Å; Q192-L195 PolarHBondContact O-N 3.34Å; Q192-G196 PolarHBondContact O-N 2.86Å; Q192-S350 WeakPolarHBondContact CG-OG 3.48Å; Q192-S350 PolarHBondContact NE2-O 3.49Å; Q192-L354 HydrophobicContact CB-CD1 4.27Å; Q192-L354 HydrophobicContact CB-CD2 4.46Å; Q192-L354 HydrophobicContact CB-CG 4.5Å; Q192-L354 HydrophobicContact CG-CD1 3.75Å; Q192-L354 HydrophobicContact CG-CD2 4.17Å; Q192-L354 HydrophobicContact CG-CG 3.78Å; Q192-L381 PolarHBondContact OE1-O 3.45Å; Q192-N385 PolarHBondContact OE1-ND2 3.5Å |
| 193 | V | 95.1 | Very high | 91 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | G189 L190 L195 G196 V197 L383 | G189-V193 WeakPolarHBondContact O-CG2 3.25Å; G189-V193 PolarHBondContact O-N 3.5Å; L190-V193 PolarHBondContact O-N 3.42Å; V193-L195 VanDerWaalsContact C-N 3.34Å; V193-L195 PolarHBondContact O-N 3.04Å; V193-G196 PolarHBondContact O-N 3.41Å; V193-V197 HydrophobicContact CG1-CG2 4.06Å; V193-V197 WeakPolarHBondContact O-CB 3.39Å; V193-V197 VanDerWaalsContact O-CG2 3.29Å; V193-V197 WeakPolarHBondContact O-CG2 3.44Å; V193-V197 PolarHBondContact O-N 2.95Å; V193-L383 HydrophobicContact CG2-CD2 4.29Å; V193-L383 HydrophobicContact CG2-CG 4.15Å |
| 194 | A | 93.9 | Very high | 89.8 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L190 F191 G196 V197 L198 | L190-A194 VanDerWaalsContact O-CB 3.31Å; L190-A194 WeakPolarHBondContact O-CB 3.17Å; L190-A194 PolarHBondContact O-N 2.98Å; F191-A194 PolarHBondContact O-N 2.83Å; A194-G196 VanDerWaalsContact C-N 3.33Å; A194-G196 PolarHBondContact O-N 3.01Å; A194-V197 PolarHBondContact O-N 2.83Å; A194-L198 VanDerWaalsContact O-CB 3.29Å; A194-L198 WeakPolarHBondContact O-CB 3.37Å; A194-L198 WeakPolarHBondContact O-CG 3.48Å; A194-L198 PolarHBondContact O-N 3.21Å |
| 195 | L | 91 | Very high | 89 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.9 | -69.8 | 174.8 | 0 | 0 | 0 | 112 | F191 Q192 V193 R199 L200 L203 F351 L354 L378 | F191-L195 VanDerWaalsContact O-CG 3.3Å; F191-L195 WeakPolarHBondContact O-CG 3.18Å; F191-L195 PolarHBondContact O-N 3.47Å; Q192-L195 PolarHBondContact O-N 3.34Å; V193-L195 VanDerWaalsContact C-N 3.34Å; V193-L195 PolarHBondContact O-N 3.04Å; L195-R199 PolarHBondContact O-N 3.45Å; L195-R199 VanDerWaalsContact O-N 3.12Å; L195-L200 HydrophobicContact CD2-CB 3.87Å; L195-L200 HydrophobicContact CD2-CD1 3.95Å; L195-L200 PolarHBondContact O-N 2.95Å; L195-L203 HydrophobicContact CD2-CD1 3.88Å; L195-F351 HydrophobicContact CD1-CE1 4.29Å; L195-F351 HydrophobicContact CD1-CZ 4.36Å; L195-L354 HydrophobicContact CD1-CD1 3.84Å; L195-L378 HydrophobicContact CB-CD2 3.83Å |
| 196 | G | 90.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q192 V193 A194 R199 T375 N379 | Q192-G196 PolarHBondContact O-N 2.86Å; V193-G196 PolarHBondContact O-N 3.41Å; A194-G196 VanDerWaalsContact C-N 3.33Å; A194-G196 PolarHBondContact O-N 3.01Å; G196-R199 PolarHBondContact O-N 3.45Å; G196-T375 WeakPolarHBondContact O-CG2 3.24Å; G196-N379 VanDerWaalsContact CA-OD1 3.29Å; G196-N379 WeakPolarHBondContact CA-OD1 3.34Å |
| 197 | V | 89.5 | Confident | 87.7 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 62% | 0.618 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | V193 A194 R199 | V193-V197 HydrophobicContact CG1-CG2 4.06Å; V193-V197 WeakPolarHBondContact O-CB 3.39Å; V193-V197 VanDerWaalsContact O-CG2 3.29Å; V193-V197 WeakPolarHBondContact O-CG2 3.44Å; V193-V197 PolarHBondContact O-N 2.95Å; A194-V197 PolarHBondContact O-N 2.83Å; V197-R199 PolarHBondContact O-N 2.9Å |
| 198 | L | 89.2 | Confident | 87.3 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 62% | 0.623 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -2.3 | 175.7 | -64.1 | 174 | 0 | 0 | 0 | 113.2 | A194 L200 | A194-L198 VanDerWaalsContact O-CB 3.29Å; A194-L198 WeakPolarHBondContact O-CB 3.37Å; A194-L198 WeakPolarHBondContact O-CG 3.48Å; A194-L198 PolarHBondContact O-N 3.21Å; L198-L200 HydrophobicContact CB-CD1 3.83Å; L198-L200 HydrophobicContact CB-CG 3.75Å; L198-L200 HydrophobicContact CD1-CD1 3.88Å; L198-L200 PolarHBondContact O-N 2.82Å |
| 199 | R | 85.3 | Confident | 86.9 | Confident | 192 Ų | 192 | 64.4 Ų | 64.4 | 73% | 0.725 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30.4 | -176.3 | -56 | -175.9 | 173.1 | -176.3 | -2.3 | 113.6 | L195 G196 V197 G201 T375 | L195-R199 PolarHBondContact O-N 3.45Å; L195-R199 VanDerWaalsContact O-N 3.12Å; G196-R199 PolarHBondContact O-N 3.45Å; V197-R199 PolarHBondContact O-N 2.9Å; R199-G201 PolarHBondContact O-N 3.26Å; R199-T375 HydrophobicContact CG-CG2 4.15Å |
| 200 | L | 81 | Confident | 86.7 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -80.7 | 29.6 | 178.7 | -64.9 | 175.5 | 0 | 0 | 0 | 112.8 | L195 L198 V202 L203 | L195-L200 HydrophobicContact CD2-CB 3.87Å; L195-L200 HydrophobicContact CD2-CD1 3.95Å; L195-L200 PolarHBondContact O-N 2.95Å; L198-L200 HydrophobicContact CB-CD1 3.83Å; L198-L200 HydrophobicContact CB-CG 3.75Å; L198-L200 HydrophobicContact CD1-CD1 3.88Å; L198-L200 PolarHBondContact O-N 2.82Å; L200-V202 PolarHBondContact O-N 3.48Å; L200-L203 HydrophobicContact CB-CD1 3.9Å; L200-L203 HydrophobicContact CB-CG 4.16Å; L200-L203 HydrophobicContact CD1-CD1 4.03Å; L200-L203 HydrophobicContact CG-CD1 4.39Å; L200-L203 WeakPolarHBondContact O-CB 3.42Å; L200-L203 PolarHBondContact O-N 3.33Å |
| 201 | G | 70.9 | Confident | 86.5 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -57.7 | -23.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R199 L203 V204 | R199-G201 PolarHBondContact O-N 3.26Å; G201-L203 PolarHBondContact O-N 3.05Å; G201-V204 PolarHBondContact O-N 3.14Å |
| 202 | V | 74.9 | Confident | 86.3 | Confident | 97 Ų | 97 | 59 Ų | 59 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -63 | -29.2 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | L200 V204 V205 Y206 | L200-V202 PolarHBondContact O-N 3.48Å; V202-V204 PolarHBondContact O-N 3.39Å; V202-V205 VanDerWaalsContact O-CB 3.25Å; V202-V205 WeakPolarHBondContact O-CB 3.48Å; V202-V205 PolarHBondContact O-N 3.34Å; V202-Y206 HydrophobicContact CG1-CE2 4.33Å |
| 203 | L | 76.9 | Confident | 86 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -61.6 | -31.6 | -179.4 | -70.4 | -178.8 | 0 | 0 | 0 | 112.7 | L195 L200 G201 V205 Y206 F351 | L195-L203 HydrophobicContact CD2-CD1 3.88Å; L200-L203 HydrophobicContact CB-CD1 3.9Å; L200-L203 HydrophobicContact CB-CG 4.16Å; L200-L203 HydrophobicContact CD1-CD1 4.03Å; L200-L203 HydrophobicContact CG-CD1 4.39Å; L200-L203 WeakPolarHBondContact O-CB 3.42Å; L200-L203 PolarHBondContact O-N 3.33Å; G201-L203 PolarHBondContact O-N 3.05Å; L203-V205 PolarHBondContact O-N 3.06Å; L203-Y206 HydrophobicContact CD2-CD2 4.45Å; L203-Y206 PolarHBondContact O-N 3.26Å; L203-F351 HydrophobicContact CB-CE1 4.14Å |
| 204 | V | 73 | Confident | 86 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -67.5 | -24.3 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | G201 V202 Y206 I207 L354 A355 I358 | G201-V204 PolarHBondContact O-N 3.14Å; V202-V204 PolarHBondContact O-N 3.39Å; V204-Y206 PolarHBondContact O-N 3.05Å; V204-I207 PolarHBondContact O-N 3.35Å; V204-L354 HydrophobicContact CG1-CB 4.43Å; V204-L354 HydrophobicContact CG2-CB 4.09Å; V204-L354 HydrophobicContact CG2-CD1 4.18Å; V204-A355 VanDerWaalsContact CG1-CA 3.48Å; V204-A355 HydrophobicContact CG1-CB 3.92Å; V204-I358 HydrophobicContact CB-CD1 4.19Å; V204-I358 HydrophobicContact CG1-CD1 3.99Å; V204-I358 HydrophobicContact CG2-CD1 4.14Å |
| 205 | V | 80.6 | Confident | 85.9 | Confident | 97 Ų | 97 | 56 Ų | 56 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -69.2 | -22.1 | 179 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | V202 L203 I207 | V202-V205 VanDerWaalsContact O-CB 3.25Å; V202-V205 WeakPolarHBondContact O-CB 3.48Å; V202-V205 PolarHBondContact O-N 3.34Å; L203-V205 PolarHBondContact O-N 3.06Å; V205-I207 VanDerWaalsContact C-N 3.28Å; V205-I207 PolarHBondContact O-N 3.17Å |
| 206 | Y | 83.2 | Confident | 85.7 | Confident | 123 Ų | 123 | 55.3 Ų | 55.3 | 48% | 0.482 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -77.3 | -11.5 | 178.1 | -70.2 | -75.1 | 0 | 0 | 0 | 114 | V202 L203 V204 S208 L499 | V202-Y206 HydrophobicContact CG1-CE2 4.33Å; L203-Y206 HydrophobicContact CD2-CD2 4.45Å; L203-Y206 PolarHBondContact O-N 3.26Å; V204-Y206 PolarHBondContact O-N 3.05Å; Y206-S208 PolarHBondContact O-N 3.4Å; Y206-L499 HydrophobicContact CD1-CD2 3.63Å; Y206-L499 HydrophobicContact CE1-CD2 4.23Å; Y206-L499 HydrophobicContact CG-CD2 4.26Å |
| 207 | I | 86.2 | Confident | 85.8 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -85.4 | 94.6 | 172.6 | -59 | 178.6 | 0 | 0 | 0 | 107.4 | V204 V205 L211 L212 F351 A355 | V204-I207 PolarHBondContact O-N 3.35Å; V205-I207 VanDerWaalsContact C-N 3.28Å; V205-I207 PolarHBondContact O-N 3.17Å; I207-L211 HydrophobicContact CG2-CD2 3.85Å; I207-L212 HydrophobicContact CG2-CB 4.31Å; I207-F351 HydrophobicContact CD1-CB 3.62Å; I207-F351 HydrophobicContact CD1-CD1 3.74Å; I207-F351 HydrophobicContact CD1-CG 3.99Å; I207-A355 HydrophobicContact CB-CB 4.34Å; I207-A355 HydrophobicContact CD1-CB 4.26Å; I207-A355 HydrophobicContact CG2-CB 4.15Å |
| 208 | S | 89.6 | Confident | 86 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | trans | -67.3 | 150.4 | -179.5 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | Y206 P210 L211 L212 | Y206-S208 PolarHBondContact O-N 3.4Å; S208-P210 VanDerWaalsContact C-CD 3.49Å; S208-L211 WeakPolarHBondContact O-CB 3.48Å; S208-L211 PolarHBondContact O-N 3.5Å; S208-L211 VanDerWaalsContact OG-CB 3.29Å; S208-L211 WeakPolarHBondContact OG-CB 3.31Å; S208-L211 PolarHBondContact OG-N 3.5Å; S208-L212 PolarHBondContact O-N 3.43Å | ||
| 209 | E | 89.2 | Confident | 85.8 | Confident | 154 Ų | 154 | 44.9 Ų | 44.9 | 72% | 0.72 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58 | -40.9 | 176.6 | -64 | -179.8 | -177.1 | 0 | 0 | 113.2 | L211 L212 S213 | E209-L211 PolarHBondContact O-N 3.02Å; E209-L212 PolarHBondContact O-N 3.3Å; E209-S213 WeakPolarHBondContact O-CB 3.4Å; E209-S213 PolarHBondContact O-N 2.96Å |
| 210 | P | 93.6 | Very high | 86.1 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.5 | -21.9 | 33.6 | 0 | 0 | 0 | 113.2 | S208 G214 L464 D471 I474 W475 | S208-P210 VanDerWaalsContact C-CD 3.49Å; P210-G214 PolarHBondContact O-N 3.36Å; P210-L464 HydrophobicContact CB-CD1 4.12Å; P210-L464 HydrophobicContact CB-CD2 4.38Å; P210-L464 HydrophobicContact CG-CD2 3.9Å; P210-D471 WeakPolarHBondContact CB-O 3.4Å; P210-D471 HydrophobicContact CG-CB 3.98Å; P210-I474 HydrophobicContact CB-CG2 4.48Å; P210-W475 HydrophobicContact CB-CB 4.29Å |
| 211 | L | 93.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 174.3 | 173.3 | 168.6 | 0 | 0 | 0 | 110.2 | I207 S208 E209 S213 G214 F215 I474 T478 L491 L495 | I207-L211 HydrophobicContact CG2-CD2 3.85Å; S208-L211 WeakPolarHBondContact O-CB 3.48Å; S208-L211 PolarHBondContact O-N 3.5Å; S208-L211 VanDerWaalsContact OG-CB 3.29Å; S208-L211 WeakPolarHBondContact OG-CB 3.31Å; S208-L211 PolarHBondContact OG-N 3.5Å; E209-L211 PolarHBondContact O-N 3.02Å; L211-S213 PolarHBondContact O-N 3.07Å; L211-G214 PolarHBondContact O-N 3.1Å; L211-F215 VanDerWaalsContact O-CB 3.23Å; L211-F215 WeakPolarHBondContact O-CB 3.33Å; L211-F215 PolarHBondContact O-N 2.88Å; L211-I474 HydrophobicContact CB-CG2 3.81Å; L211-T478 HydrophobicContact CG-CG2 4.39Å; L211-L491 HydrophobicContact CD2-CD1 3.46Å; L211-L491 VanDerWaalsContact CD2-CD1 3.46Å; L211-L495 VanDerWaalsContact CD1-CA 3.44Å; L211-L495 HydrophobicContact CD1-CB 4.03Å; L211-L495 HydrophobicContact CD1-CD1 4.13Å |
| 212 | L | 89.5 | Confident | 87.3 | Confident | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | -178.5 | -177.4 | 62 | 0 | 0 | 0 | 110.7 | I207 S208 E209 F215 T216 V352 A355 | I207-L212 HydrophobicContact CG2-CB 4.31Å; S208-L212 PolarHBondContact O-N 3.43Å; E209-L212 PolarHBondContact O-N 3.3Å; L212-F215 PolarHBondContact O-N 2.97Å; L212-T216 HydrophobicContact CD1-CG2 4.08Å; L212-T216 HydrophobicContact CG-CG2 4.4Å; L212-T216 WeakPolarHBondContact O-CB 3.33Å; L212-T216 VanDerWaalsContact O-CG2 3.28Å; L212-T216 WeakPolarHBondContact O-CG2 3.28Å; L212-T216 PolarHBondContact O-N 2.68Å; L212-T216 PolarHBondContact O-OG1 3.49Å; L212-V352 HydrophobicContact CD1-CG1 4.08Å; L212-A355 HydrophobicContact CD2-CB 4.46Å |
| 213 | S | 90.9 | Very high | 87.8 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | E209 L211 F215 T216 C217 Q457 W475 | E209-S213 WeakPolarHBondContact O-CB 3.4Å; E209-S213 PolarHBondContact O-N 2.96Å; L211-S213 PolarHBondContact O-N 3.07Å; S213-F215 VanDerWaalsContact C-N 3.32Å; S213-F215 PolarHBondContact O-N 3.01Å; S213-T216 PolarHBondContact O-N 2.91Å; S213-T216 PolarHBondContact O-OG1 2.93Å; S213-T216 VanDerWaalsContact O-OG1 3.1Å; S213-C217 VanDerWaalsContact O-CB 3.28Å; S213-C217 WeakPolarHBondContact O-CB 3.3Å; S213-C217 PolarHBondContact O-N 3.02Å; S213-Q457 PolarHBondContact O-OE1 2.89Å; S213-Q457 WeakPolarHBondContact OG-CB 3.36Å; S213-W475 PolarHBondContact OG-NE1 3.16Å |
| 214 | G | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | P210 L211 A218 W475 F479 | P210-G214 PolarHBondContact O-N 3.36Å; L211-G214 PolarHBondContact O-N 3.1Å; G214-A218 WeakPolarHBondContact O-CB 3.42Å; G214-A218 PolarHBondContact O-N 2.98Å; G214-A218 VanDerWaalsContact O-N 3.1Å; G214-W475 VanDerWaalsContact N-CD1 3.31Å; G214-F479 WeakPolarHBondContact O-CD2 3.31Å |
| 215 | F | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 175.5 | 175.9 | -111.7 | 0 | 0 | 0 | 113.2 | L143 L211 L212 S213 A218 S219 V352 T478 T482 V487 L491 | L143-F215 HydrophobicContact CD1-CE1 4.11Å; L143-F215 HydrophobicContact CD1-CZ 4.42Å; L143-F215 HydrophobicContact CD2-CE1 3.78Å; L143-F215 HydrophobicContact CD2-CE2 4.5Å; L143-F215 HydrophobicContact CD2-CZ 3.38Å; L143-F215 HydrophobicContact CG-CE1 4.47Å; L143-F215 HydrophobicContact CG-CZ 4.47Å; L211-F215 VanDerWaalsContact O-CB 3.23Å; L211-F215 WeakPolarHBondContact O-CB 3.33Å; L211-F215 PolarHBondContact O-N 2.88Å; L212-F215 PolarHBondContact O-N 2.97Å; S213-F215 VanDerWaalsContact C-N 3.32Å; S213-F215 PolarHBondContact O-N 3.01Å; F215-A218 PolarHBondContact O-N 2.9Å; F215-S219 WeakPolarHBondContact O-CB 3.43Å; F215-S219 PolarHBondContact O-N 2.95Å; F215-S219 PolarHBondContact O-OG 2.92Å; F215-V352 HydrophobicContact CD1-CG2 4.41Å; F215-V352 HydrophobicContact CE1-CG2 3.92Å; F215-T478 HydrophobicContact CB-CG2 3.72Å; F215-T482 HydrophobicContact CD2-CG2 3.87Å; F215-T482 HydrophobicContact CE2-CG2 4.01Å; F215-V487 HydrophobicContact CE2-CG1 3.67Å; F215-V487 WeakPolarHBondContact CE2-O 3.47Å; F215-V487 HydrophobicContact CZ-CG1 3.71Å; F215-L491 HydrophobicContact CB-CD1 4.35Å; F215-L491 HydrophobicContact CD1-CD1 4.11Å; F215-L491 HydrophobicContact CD2-CB 3.86Å; F215-L491 HydrophobicContact CD2-CD1 4.2Å; F215-L491 HydrophobicContact CE1-CD1 4.43Å; F215-L491 HydrophobicContact CE1-CD2 4.43Å; F215-L491 HydrophobicContact CE2-CB 3.64Å; F215-L491 HydrophobicContact CG-CB 4.45Å; F215-L491 HydrophobicContact CG-CD1 3.95Å; F215-L491 HydrophobicContact CZ-CB 4.01Å; F215-L491 HydrophobicContact CZ-CD2 4.32Å |
| 216 | T | 88.2 | Confident | 89.4 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | V139 L212 S213 S219 A220 I454 Q457 | V139-T216 HydrophobicContact CB-CG2 4.23Å; V139-T216 HydrophobicContact CG1-CG2 3.66Å; V139-T216 HydrophobicContact CG2-CG2 3.52Å; L212-T216 HydrophobicContact CD1-CG2 4.08Å; L212-T216 HydrophobicContact CG-CG2 4.4Å; L212-T216 WeakPolarHBondContact O-CB 3.33Å; L212-T216 VanDerWaalsContact O-CG2 3.28Å; L212-T216 WeakPolarHBondContact O-CG2 3.28Å; L212-T216 PolarHBondContact O-N 2.68Å; L212-T216 PolarHBondContact O-OG1 3.49Å; S213-T216 PolarHBondContact O-N 2.91Å; S213-T216 PolarHBondContact O-OG1 2.93Å; S213-T216 VanDerWaalsContact O-OG1 3.1Å; T216-S219 PolarHBondContact O-N 3.42Å; T216-A220 PolarHBondContact O-N 3.05Å; T216-I454 WeakPolarHBondContact O-CG2 3.21Å; T216-Q457 PolarHBondContact OG1-OE1 2.88Å |
| 217 | C | 92.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 174.7 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | S213 A220 V221 W475 F479 | S213-C217 VanDerWaalsContact O-CB 3.28Å; S213-C217 WeakPolarHBondContact O-CB 3.3Å; S213-C217 PolarHBondContact O-N 3.02Å; C217-A220 WeakPolarHBondContact O-CB 3.44Å; C217-A220 PolarHBondContact O-N 3.34Å; C217-V221 PolarHBondContact O-N 2.96Å; C217-W475 HydrophobicContact CB-CZ2 4.08Å; C217-F479 HydrophobicContact CB-CD2 4.04Å; C217-F479 HydrophobicContact CB-CE2 4.07Å |
| 218 | A | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G214 F215 A220 V221 H222 F479 T482 V483 | G214-A218 WeakPolarHBondContact O-CB 3.42Å; G214-A218 PolarHBondContact O-N 2.98Å; G214-A218 VanDerWaalsContact O-N 3.1Å; F215-A218 PolarHBondContact O-N 2.9Å; A218-A220 PolarHBondContact O-N 3.37Å; A218-V221 WeakPolarHBondContact O-CB 3.18Å; A218-V221 PolarHBondContact O-N 2.74Å; A218-H222 PolarHBondContact O-N 3.16Å; A218-F479 HydrophobicContact CB-CD2 3.65Å; A218-F479 HydrophobicContact CB-CE2 3.99Å; A218-F479 HydrophobicContact CB-CG 4.14Å; A218-F479 WeakPolarHBondContact CB-O 3.32Å; A218-T482 VanDerWaalsContact CB-CB 3.42Å; A218-T482 HydrophobicContact CB-CG2 3.48Å; A218-T482 VanDerWaalsContact CB-CG2 3.48Å; A218-V483 HydrophobicContact CB-CG2 3.61Å |
| 219 | S | 86.6 | Confident | 90 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -34.8 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | F215 T216 V221 H222 V223 | F215-S219 WeakPolarHBondContact O-CB 3.43Å; F215-S219 PolarHBondContact O-N 2.95Å; F215-S219 PolarHBondContact O-OG 2.92Å; T216-S219 PolarHBondContact O-N 3.42Å; S219-V221 VanDerWaalsContact C-N 3.29Å; S219-V221 PolarHBondContact O-N 3.29Å; S219-H222 PolarHBondContact O-N 3.38Å; S219-V223 VanDerWaalsContact O-CG2 3.25Å; S219-V223 WeakPolarHBondContact O-CG2 3.37Å; S219-V223 PolarHBondContact O-N 3.32Å |
| 220 | A | 89.8 | Confident | 90 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.8 | -33.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T216 C217 A218 V223 F224 L451 I454 F455 | T216-A220 PolarHBondContact O-N 3.05Å; C217-A220 WeakPolarHBondContact O-CB 3.44Å; C217-A220 PolarHBondContact O-N 3.34Å; A218-A220 PolarHBondContact O-N 3.37Å; A220-V223 PolarHBondContact O-N 2.74Å; A220-F224 WeakPolarHBondContact O-CB 3.47Å; A220-F224 PolarHBondContact O-N 3.48Å; A220-L451 HydrophobicContact CB-CD2 4.03Å; A220-I454 HydrophobicContact CB-CB 4.24Å; A220-I454 HydrophobicContact CB-CG2 3.83Å; A220-F455 HydrophobicContact CB-CD1 4.24Å; A220-F455 HydrophobicContact CB-CE1 3.74Å; A220-F455 HydrophobicContact CB-CE2 4.22Å; A220-F455 HydrophobicContact CB-CZ 3.74Å |
| 221 | V | 91.7 | Very high | 90.1 | Very high | 36 Ų | 36 | 15.9 Ų | 15.9 | 22% | 0.218 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | C217 A218 S219 V223 F224 T225 I245 F455 F479 V483 | C217-V221 PolarHBondContact O-N 2.96Å; A218-V221 WeakPolarHBondContact O-CB 3.18Å; A218-V221 PolarHBondContact O-N 2.74Å; S219-V221 VanDerWaalsContact C-N 3.29Å; S219-V221 PolarHBondContact O-N 3.29Å; V221-V223 PolarHBondContact O-N 3.42Å; V221-F224 PolarHBondContact O-N 3.14Å; V221-T225 PolarHBondContact O-N 3.46Å; V221-T225 VanDerWaalsContact O-N 3.08Å; V221-T225 PolarHBondContact O-OG1 3.13Å; V221-I245 HydrophobicContact CB-CD1 4.36Å; V221-I245 HydrophobicContact CG1-CD1 3.8Å; V221-F455 HydrophobicContact CG2-CE1 3.71Å; V221-F455 HydrophobicContact CG2-CZ 4.42Å; V221-F479 HydrophobicContact CG2-CZ 4.35Å; V221-V483 HydrophobicContact CG2-CG2 4.41Å |
| 222 | H | 86.5 | Confident | 90.2 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 6% | 0.06 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.6 | -37.6 | 177.7 | -81.4 | -80.4 | 0 | 0 | 0 | 111.9 | A218 S219 T225 S226 I245 T482 | A218-H222 PolarHBondContact O-N 3.16Å; S219-H222 PolarHBondContact O-N 3.38Å; H222-T225 WeakPolarHBondContact O-CB 3.35Å; H222-T225 PolarHBondContact O-N 3.35Å; H222-S226 PolarHBondContact O-N 3.19Å; H222-I245 VanDerWaalsContact CE1-CD1 3.45Å; H222-I245 WeakPolarHBondContact CE1-CD1 3.48Å; H222-I245 WeakPolarHBondContact ND1-CG1 3.29Å; H222-T482 PolarHBondContact NE2-O 2.87Å |
| 223 | V | 84.8 | Confident | 90.2 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 7% | 0.073 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -80 | -42.4 | -175.3 | 168.4 | 0 | 0 | 0 | 0 | 112.3 | L104 L142 S219 A220 V221 T225 S226 Q227 I447 L451 | L104-V223 HydrophobicContact CD1-CB 4.49Å; L104-V223 HydrophobicContact CD1-CG1 3.28Å; L104-V223 HydrophobicContact CG-CG1 4.46Å; L142-V223 HydrophobicContact CB-CG2 3.76Å; L142-V223 HydrophobicContact CD1-CB 4.29Å; L142-V223 HydrophobicContact CD1-CG2 3.59Å; L142-V223 HydrophobicContact CD2-CB 3.89Å; L142-V223 HydrophobicContact CD2-CG1 3.62Å; L142-V223 HydrophobicContact CD2-CG2 3.19Å; L142-V223 HydrophobicContact CG-CG2 3.58Å; S219-V223 VanDerWaalsContact O-CG2 3.25Å; S219-V223 WeakPolarHBondContact O-CG2 3.37Å; S219-V223 PolarHBondContact O-N 3.32Å; A220-V223 PolarHBondContact O-N 2.74Å; V221-V223 PolarHBondContact O-N 3.42Å; V223-T225 PolarHBondContact O-N 3.02Å; V223-S226 PolarHBondContact O-N 3.05Å; V223-S226 PolarHBondContact O-OG 3.02Å; V223-Q227 HydrophobicContact CG1-CG 4.37Å; V223-Q227 WeakPolarHBondContact O-CG 3.5Å; V223-Q227 PolarHBondContact O-N 3.41Å; V223-I447 HydrophobicContact CG1-CG2 4.19Å; V223-L451 HydrophobicContact CB-CD1 4.38Å; V223-L451 HydrophobicContact CG1-CD1 3.94Å; V223-L451 HydrophobicContact CG1-CD2 4.22Å |
| 224 | F | 89.9 | Confident | 90.2 | Very high | 79 Ų | 79 | 17.8 Ų | 17.8 | 35% | 0.346 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -52.6 | -43.9 | 171.1 | 178.4 | -96.5 | 0 | 0 | 0 | 110 | A220 V221 S226 Q227 L228 V448 L451 F455 | A220-F224 WeakPolarHBondContact O-CB 3.47Å; A220-F224 PolarHBondContact O-N 3.48Å; V221-F224 PolarHBondContact O-N 3.14Å; F224-S226 PolarHBondContact O-N 3.39Å; F224-Q227 PolarHBondContact O-N 3.02Å; F224-L228 HydrophobicContact CE1-CD2 4.23Å; F224-L228 HydrophobicContact CZ-CD2 4.47Å; F224-L228 PolarHBondContact O-N 3.43Å; F224-V448 HydrophobicContact CD2-CG1 4.21Å; F224-V448 HydrophobicContact CD2-CG2 4.22Å; F224-V448 HydrophobicContact CE2-CG1 3.9Å; F224-V448 HydrophobicContact CE2-CG2 4.33Å; F224-L451 HydrophobicContact CB-CD1 3.89Å; F224-F455 HydrophobicContact CB-CE2 4.45Å; F224-F455 HydrophobicContact CB-CZ 4.18Å |
| 225 | T | 89.1 | Confident | 89.5 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.6 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | V221 H222 V223 Q227 L228 I248 I249 | V221-T225 PolarHBondContact O-N 3.46Å; V221-T225 VanDerWaalsContact O-N 3.08Å; V221-T225 PolarHBondContact O-OG1 3.13Å; H222-T225 WeakPolarHBondContact O-CB 3.35Å; H222-T225 PolarHBondContact O-N 3.35Å; V223-T225 PolarHBondContact O-N 3.02Å; T225-Q227 VanDerWaalsContact C-N 3.34Å; T225-Q227 PolarHBondContact O-N 2.73Å; T225-L228 HydrophobicContact CG2-CD1 4.35Å; T225-L228 WeakPolarHBondContact O-CB 3.29Å; T225-L228 WeakPolarHBondContact O-CG 3.25Å; T225-L228 PolarHBondContact O-N 3.27Å; T225-I248 HydrophobicContact CG2-CB 3.89Å; T225-I248 HydrophobicContact CG2-CD1 4.48Å; T225-I248 HydrophobicContact CG2-CG2 3.52Å; T225-I249 HydrophobicContact CG2-CG1 4.33Å |
| 226 | S | 84.3 | Confident | 88.9 | Confident | 44 Ų | 44 | 26.8 Ų | 26.8 | 31% | 0.308 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -70.5 | -27.9 | 176.6 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | H222 V223 F224 L228 | H222-S226 PolarHBondContact O-N 3.19Å; V223-S226 PolarHBondContact O-N 3.05Å; V223-S226 PolarHBondContact O-OG 3.02Å; F224-S226 PolarHBondContact O-N 3.39Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.45Å |
| 227 | Q | 90.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.5 | -17.7 | 176.5 | -64.5 | -38.7 | -62.8 | 0 | 0 | 113.6 | V223 F224 T225 N229 G230 L231 S444 I447 V448 | V223-Q227 HydrophobicContact CG1-CG 4.37Å; V223-Q227 WeakPolarHBondContact O-CG 3.5Å; V223-Q227 PolarHBondContact O-N 3.41Å; F224-Q227 PolarHBondContact O-N 3.02Å; T225-Q227 VanDerWaalsContact C-N 3.34Å; T225-Q227 PolarHBondContact O-N 2.73Å; Q227-N229 PolarHBondContact O-N 2.84Å; Q227-N229 VanDerWaalsContact O-N 3.11Å; Q227-G230 PolarHBondContact O-N 3.26Å; Q227-L231 WeakPolarHBondContact O-CG 3.19Å; Q227-L231 PolarHBondContact O-N 3.32Å; Q227-S444 PolarHBondContact OE1-OG 3.34Å; Q227-I447 HydrophobicContact CG-CB 4.2Å; Q227-I447 HydrophobicContact CG-CD1 4.46Å; Q227-I447 HydrophobicContact CG-CG2 3.73Å; Q227-V448 HydrophobicContact CB-CG2 4.12Å; Q227-V448 HydrophobicContact CG-CG2 4.47Å |
| 228 | L | 91.9 | Very high | 86.9 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53 | -35.9 | 176.2 | -64.9 | 178.8 | 0 | 0 | 0 | 111.8 | F224 T225 S226 G230 L231 F232 L236 F252 | F224-L228 HydrophobicContact CE1-CD2 4.23Å; F224-L228 HydrophobicContact CZ-CD2 4.47Å; F224-L228 PolarHBondContact O-N 3.43Å; T225-L228 HydrophobicContact CG2-CD1 4.35Å; T225-L228 WeakPolarHBondContact O-CB 3.29Å; T225-L228 WeakPolarHBondContact O-CG 3.25Å; T225-L228 PolarHBondContact O-N 3.27Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.45Å; L228-G230 PolarHBondContact O-N 2.84Å; L228-L231 HydrophobicContact CD2-CD1 4.48Å; L228-L231 PolarHBondContact O-N 3.12Å; L228-F232 HydrophobicContact CD2-CD2 4.41Å; L228-F232 HydrophobicContact CD2-CE2 3.97Å; L228-F232 WeakPolarHBondContact O-CB 3.15Å; L228-F232 WeakPolarHBondContact O-CD2 3.26Å; L228-F232 PolarHBondContact O-N 3.32Å; L228-L236 HydrophobicContact CB-CD1 4.02Å; L228-F252 HydrophobicContact CB-CD2 4.19Å; L228-F252 HydrophobicContact CB-CE2 4.05Å; L228-F252 HydrophobicContact CD1-CD1 4.32Å; L228-F252 HydrophobicContact CD1-CD2 4.09Å; L228-F252 HydrophobicContact CD1-CE1 4.48Å; L228-F252 HydrophobicContact CD1-CE2 4.26Å; L228-F252 HydrophobicContact CD1-CG 4.12Å; L228-F252 HydrophobicContact CD1-CZ 4.46Å |
| 229 | N | 90 | Very high | 85.7 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.2 | -52.1 | 174.1 | -174.7 | 4.1 | 0 | 0 | 0 | 111.9 | Q227 G233 I234 L236 | Q227-N229 PolarHBondContact O-N 2.84Å; Q227-N229 VanDerWaalsContact O-N 3.11Å; N229-G233 PolarHBondContact O-N 3.47Å; N229-G233 VanDerWaalsContact O-N 3.09Å; N229-I234 PolarHBondContact O-N 2.96Å; N229-I234 WeakPolarHBondContact OD1-CA 3.46Å; N229-I234 PolarHBondContact OD1-O 3.41Å; N229-L236 HydrophobicContact CB-CD1 4.45Å |
| 230 | G | 90.5 | Very high | 84.8 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.2 | -30.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q227 L228 C441 | Q227-G230 PolarHBondContact O-N 3.26Å; L228-G230 PolarHBondContact O-N 2.84Å; G230-C441 WeakPolarHBondContact O-CA 3.28Å; G230-C441 WeakPolarHBondContact O-CB 3.47Å |
| 231 | L | 94.7 | Very high | 84 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.3 | -45 | 178.8 | -65.3 | 175.8 | 0 | 0 | 0 | 112.5 | Q227 L228 S267 I271 V448 | Q227-L231 WeakPolarHBondContact O-CG 3.19Å; Q227-L231 PolarHBondContact O-N 3.32Å; L228-L231 HydrophobicContact CD2-CD1 4.48Å; L228-L231 PolarHBondContact O-N 3.12Å; L231-S267 PolarHBondContact O-OG 2.82Å; L231-I271 HydrophobicContact CD2-CD1 4.03Å; L231-V448 HydrophobicContact CD1-CG2 3.89Å; L231-V448 HydrophobicContact CD2-CG2 4.24Å; L231-V448 HydrophobicContact CG-CG2 4.41Å |
| 232 | F | 94.6 | Very high | 83.6 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -91.1 | -7.7 | -175.4 | -72.8 | -99.6 | 0 | 0 | 0 | 113 | L228 I234 F252 T259 N260 L264 | L228-F232 HydrophobicContact CD2-CD2 4.41Å; L228-F232 HydrophobicContact CD2-CE2 3.97Å; L228-F232 WeakPolarHBondContact O-CB 3.15Å; L228-F232 WeakPolarHBondContact O-CD2 3.26Å; L228-F232 PolarHBondContact O-N 3.32Å; F232-I234 HydrophobicContact CB-CD1 4.18Å; F232-I234 HydrophobicContact CB-CG1 3.89Å; F232-I234 HydrophobicContact CB-CG2 4.47Å; F232-F252 HydrophobicContact CD1-CE2 4.36Å; F232-F252 HydrophobicContact CD1-CZ 4.2Å; F232-F252 AromaticContact CD2-CE2 3.86Å; F232-F252 HydrophobicContact CD2-CE2 3.86Å; F232-F252 AromaticContact CD2-CZ 3.97Å; F232-F252 HydrophobicContact CD2-CZ 3.97Å; F232-F252 AromaticContact CE1-CZ 3.98Å; F232-F252 HydrophobicContact CE1-CZ 3.98Å; F232-F252 HydrophobicContact CE2-CE2 4.1Å; F232-F252 AromaticContact CE2-CZ 3.73Å; F232-F252 HydrophobicContact CE2-CZ 3.73Å; F232-F252 HydrophobicContact CG-CE2 4.02Å; F232-F252 HydrophobicContact CG-CZ 4.22Å; F232-F252 HydrophobicContact CZ-CE2 4.46Å; F232-F252 AromaticContact CZ-CZ 3.75Å; F232-F252 HydrophobicContact CZ-CZ 3.75Å; F232-T259 HydrophobicContact CB-CG2 4.04Å; F232-T259 HydrophobicContact CD1-CG2 3.69Å; F232-T259 HydrophobicContact CG-CG2 4.34Å; F232-T259 WeakPolarHBondContact O-CG2 3.47Å; F232-N260 PolarHBondContact O-N 2.96Å; F232-L264 HydrophobicContact CD1-CD1 3.88Å; F232-L264 HydrophobicContact CE1-CD1 3.75Å; F232-L264 HydrophobicContact CE1-CD2 4.4Å; F232-L264 HydrophobicContact CG-CD1 4.31Å; F232-L264 HydrophobicContact CZ-CD1 4.08Å |
| 233 | G | 90.2 | Very high | 83.7 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 29.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N229 | N229-G233 PolarHBondContact O-N 3.47Å; N229-G233 VanDerWaalsContact O-N 3.09Å |
| 234 | I | 90.5 | Very high | 83.7 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | trans | -53.8 | 171.1 | 177.2 | 85.9 | 178.6 | 0 | 0 | 0 | 116.3 | N229 F232 L236 F252 I255 | N229-I234 PolarHBondContact O-N 2.96Å; N229-I234 WeakPolarHBondContact OD1-CA 3.46Å; N229-I234 PolarHBondContact OD1-O 3.41Å; F232-I234 HydrophobicContact CB-CD1 4.18Å; F232-I234 HydrophobicContact CB-CG1 3.89Å; F232-I234 HydrophobicContact CB-CG2 4.47Å; I234-L236 HydrophobicContact CD1-CD2 4.1Å; I234-L236 HydrophobicContact CD1-CG 4.42Å; I234-L236 HydrophobicContact CG1-CD2 4.35Å; I234-L236 HydrophobicContact CG1-CG 4.17Å; I234-F252 HydrophobicContact CD1-CD2 3.74Å; I234-F252 HydrophobicContact CD1-CE2 3.74Å; I234-I255 HydrophobicContact CB-CG2 4.35Å; I234-I255 HydrophobicContact CD1-CG2 4.09Å | ||
| 235 | Q | 80.9 | Confident | 83.6 | Confident | 171 Ų | 171 | 46 Ų | 46 | 80% | 0.799 | 25% | 0.251 | S | S | * | . | trans | -134 | 87.7 | 140.3 | -93.2 | 179.6 | 50.3 | 0 | 0 | 108.6 | ||||
| 236 | L | 78.3 | Confident | 83.6 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 129.9 | 178.4 | -61.9 | 168.6 | 0 | 0 | 0 | 111.3 | L228 N229 I234 R238 I248 F252 I255 | L228-L236 HydrophobicContact CB-CD1 4.02Å; N229-L236 HydrophobicContact CB-CD1 4.45Å; I234-L236 HydrophobicContact CD1-CD2 4.1Å; I234-L236 HydrophobicContact CD1-CG 4.42Å; I234-L236 HydrophobicContact CG1-CD2 4.35Å; I234-L236 HydrophobicContact CG1-CG 4.17Å; L236-R238 PolarHBondContact O-N 3.05Å; L236-I248 HydrophobicContact CD1-CG2 4.36Å; L236-F252 HydrophobicContact CD1-CB 4.37Å; L236-F252 HydrophobicContact CD1-CD2 3.87Å; L236-F252 HydrophobicContact CD2-CB 4Å; L236-F252 HydrophobicContact CD2-CD2 4.11Å; L236-I255 HydrophobicContact CD2-CB 4.47Å; L236-I255 HydrophobicContact CD2-CD1 4.43Å |
| 237 | N | 70 | Confident | 83.8 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 125.7 | 172.6 | -62 | -5.6 | 0 | 0 | 0 | 109.3 | A239 | N237-A239 PolarHBondContact O-N 3.31Š|
| 238 | R | 67.7 | Low | 83.7 | Confident | 108 Ų | 108 | 55.1 Ų | 55.1 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 121.7 | 175.4 | -62.4 | -174.5 | -172.5 | -163.1 | -2.8 | 107.8 | D149 R177 L236 | D149-R238 IonicContact OD1-CZ 3.78Å; D149-R238 IonicContact OD1-NH1 2.89Å; D149-R238 PolarHBondContact OD1-NH1 3.18Å; D149-R238 IonicContact OD2-NH1 3.88Å; R177-R238 VanDerWaalsContact NH1-NH1 3.14Å; L236-R238 PolarHBondContact O-N 3.05Å |
| 239 | A | 66.7 | Low | 83.7 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 155.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N237 R244 Y247 I248 | N237-A239 PolarHBondContact O-N 3.31Å; A239-R244 WeakPolarHBondContact O-CD 3.28Å; A239-R244 WeakPolarHBondContact O-CG 3.39Å; A239-R244 PolarHBondContact O-NE 3.42Å; A239-Y247 HydrophobicContact CB-CD1 3.21Å; A239-Y247 HydrophobicContact CB-CE1 3.59Å; A239-Y247 HydrophobicContact CB-CG 3.98Å; A239-I248 HydrophobicContact CB-CG1 4.43Å |
| 240 | T | 68.4 | Low | 83.8 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | trans | -124.8 | 155.5 | 175.9 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | R150 S153 | R150-T240 HydrophobicContact CB-CG2 4.17Å; R150-T240 HydrophobicContact CG-CG2 4.24Å; S153-T240 VanDerWaalsContact OG-CG2 3.28Å; S153-T240 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 241 | G | 73.9 | Confident | 83.7 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 100.9 | -177.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R244 | G241-R244 WeakPolarHBondContact O-CB 3.23Å; G241-R244 PolarHBondContact O-N 2.84Å |
| 242 | P | 83 | Confident | 83.5 | Confident | 92 Ų | 92 | 61 Ų | 61 | 60% | 0.597 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 145.5 | -177 | 26.9 | -34.4 | 0 | 0 | 0 | 111.9 | R244 I485 | P242-R244 PolarHBondContact O-N 3.46Å; P242-I485 VanDerWaalsContact CA-O 3.29Å; P242-I485 WeakPolarHBondContact CA-O 3.44Å |
| 243 | F | 88.3 | Confident | 83.4 | Confident | 120 Ų | 120 | 64 Ų | 64 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 22.8 | -177.3 | -53.7 | -79.7 | 0 | 0 | 0 | 114.7 | I245 F246 Y247 F484 | F243-I245 PolarHBondContact O-N 3.15Å; F243-I245 VanDerWaalsContact O-N 3.12Å; F243-F246 HydrophobicContact CB-CD2 4.06Å; F243-F246 AromaticContact CD1-CD2 3.87Å; F243-F246 HydrophobicContact CD1-CD2 3.87Å; F243-F246 AromaticContact CD1-CE2 3.97Å; F243-F246 HydrophobicContact CD1-CE2 3.97Å; F243-F246 HydrophobicContact CG-CD2 4.46Å; F243-F246 PolarHBondContact O-N 3.4Å; F243-Y247 PolarHBondContact O-N 3.2Å; F243-F484 HydrophobicContact CD1-CB 4.47Å; F243-F484 HydrophobicContact CD1-CD1 4.48Å; F243-F484 HydrophobicContact CE1-CB 4.18Å; F243-F484 HydrophobicContact CE1-CD1 4.5Å; F243-F484 PolarHBondContact N-O 2.78Å |
| 244 | R | 84 | Confident | 83.5 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -44.6 | -44.1 | 176.3 | 173 | -176.9 | -179.2 | -173.9 | 1.8 | 113.8 | D146 D149 A239 G241 P242 F246 Y247 I248 | D146-R244 IonicContact OD1-NH1 2.7Å; D149-R244 IonicContact OD2-NH2 2.9Å; D149-R244 PolarHBondContact OD2-NH2 3.36Å; A239-R244 WeakPolarHBondContact O-CD 3.28Å; A239-R244 WeakPolarHBondContact O-CG 3.39Å; A239-R244 PolarHBondContact O-NE 3.42Å; G241-R244 WeakPolarHBondContact O-CB 3.23Å; G241-R244 PolarHBondContact O-N 2.84Å; P242-R244 PolarHBondContact O-N 3.46Å; R244-F246 VanDerWaalsContact C-N 3.35Å; R244-F246 PolarHBondContact O-N 3.47Å; R244-Y247 PolarHBondContact O-N 2.7Å; R244-I248 HydrophobicContact CG-CD1 3.68Å; R244-I248 HydrophobicContact CG-CG1 4.34Å; R244-I248 WeakPolarHBondContact O-CG1 3.33Å; R244-I248 PolarHBondContact O-N 2.78Å |
| 245 | I | 88.2 | Confident | 83.5 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | -179 | -74 | 168.9 | 0 | 0 | 0 | 110.9 | V221 H222 F243 Y247 I248 I249 V483 | V221-I245 HydrophobicContact CB-CD1 4.36Å; V221-I245 HydrophobicContact CG1-CD1 3.8Å; H222-I245 VanDerWaalsContact CE1-CD1 3.45Å; H222-I245 WeakPolarHBondContact CE1-CD1 3.48Å; H222-I245 WeakPolarHBondContact ND1-CG1 3.29Å; F243-I245 PolarHBondContact O-N 3.15Å; F243-I245 VanDerWaalsContact O-N 3.12Å; I245-Y247 VanDerWaalsContact C-N 3.31Å; I245-Y247 PolarHBondContact O-N 3.49Å; I245-I248 PolarHBondContact O-N 3.34Å; I245-I249 HydrophobicContact CG2-CD1 3.5Å; I245-I249 VanDerWaalsContact CG2-CD1 3.5Å; I245-I249 HydrophobicContact CG2-CG1 4.21Å; I245-I249 WeakPolarHBondContact O-CB 3.36Å; I245-I249 VanDerWaalsContact O-CG1 3.28Å; I245-I249 WeakPolarHBondContact O-CG1 3.26Å; I245-I249 PolarHBondContact O-N 2.88Å; I245-V483 HydrophobicContact CD1-CG1 3.95Å |
| 246 | F | 90.1 | Very high | 84 | Confident | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 180 | -69.8 | -73.4 | 0 | 0 | 0 | 111.7 | F243 R244 I249 N250 F484 | F243-F246 HydrophobicContact CB-CD2 4.06Å; F243-F246 AromaticContact CD1-CD2 3.87Å; F243-F246 HydrophobicContact CD1-CD2 3.87Å; F243-F246 AromaticContact CD1-CE2 3.97Å; F243-F246 HydrophobicContact CD1-CE2 3.97Å; F243-F246 HydrophobicContact CG-CD2 4.46Å; F243-F246 PolarHBondContact O-N 3.4Å; R244-F246 VanDerWaalsContact C-N 3.35Å; R244-F246 PolarHBondContact O-N 3.47Å; F246-I249 PolarHBondContact O-N 3.14Å; F246-N250 VanDerWaalsContact O-CB 3.28Å; F246-N250 WeakPolarHBondContact O-CB 3.28Å; F246-N250 PolarHBondContact O-N 3.37Å; F246-F484 AromaticContact CE2-CD1 3.58Å; F246-F484 HydrophobicContact CE2-CD1 3.58Å; F246-F484 AromaticContact CE2-CE1 3.53Å; F246-F484 HydrophobicContact CE2-CE1 3.53Å; F246-F484 HydrophobicContact CZ-CD1 4.21Å; F246-F484 AromaticContact CZ-CE1 3.66Å; F246-F484 HydrophobicContact CZ-CE1 3.66Å |
| 247 | Y | 88.3 | Confident | 84.6 | Confident | 129 Ų | 129 | 73.5 Ų | 73.5 | 51% | 0.506 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.4 | -178.1 | -86.5 | 0 | 0 | 0 | 111.8 | A239 F243 R244 I245 N250 N251 | A239-Y247 HydrophobicContact CB-CD1 3.21Å; A239-Y247 HydrophobicContact CB-CE1 3.59Å; A239-Y247 HydrophobicContact CB-CG 3.98Å; F243-Y247 PolarHBondContact O-N 3.2Å; R244-Y247 PolarHBondContact O-N 2.7Å; I245-Y247 VanDerWaalsContact C-N 3.31Å; I245-Y247 PolarHBondContact O-N 3.49Å; Y247-N250 PolarHBondContact O-N 3.41Å; Y247-N251 WeakPolarHBondContact O-CB 3.33Å; Y247-N251 PolarHBondContact O-N 3Å |
| 248 | I | 88.2 | Confident | 85.5 | Confident | 11 Ų | 11 | 76.8 Ų | 76.8 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 179.8 | -62.9 | 168.9 | 0 | 0 | 0 | 111 | T225 L236 A239 R244 I245 N251 F252 | T225-I248 HydrophobicContact CG2-CB 3.89Å; T225-I248 HydrophobicContact CG2-CD1 4.48Å; T225-I248 HydrophobicContact CG2-CG2 3.52Å; L236-I248 HydrophobicContact CD1-CG2 4.36Å; A239-I248 HydrophobicContact CB-CG1 4.43Å; R244-I248 HydrophobicContact CG-CD1 3.68Å; R244-I248 HydrophobicContact CG-CG1 4.34Å; R244-I248 WeakPolarHBondContact O-CG1 3.33Å; R244-I248 PolarHBondContact O-N 2.78Å; I245-I248 PolarHBondContact O-N 3.34Å; I248-N251 PolarHBondContact O-N 3.34Å; I248-F252 VanDerWaalsContact O-CB 3.25Å; I248-F252 WeakPolarHBondContact O-CB 3.39Å; I248-F252 PolarHBondContact O-N 3.07Å |
| 249 | I | 91 | Very high | 86.7 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 35% | 0.354 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.9 | -69.4 | 172.9 | 0 | 0 | 0 | 110.5 | T225 I245 F246 N251 F252 I253 | T225-I249 HydrophobicContact CG2-CG1 4.33Å; I245-I249 HydrophobicContact CG2-CD1 3.5Å; I245-I249 VanDerWaalsContact CG2-CD1 3.5Å; I245-I249 HydrophobicContact CG2-CG1 4.21Å; I245-I249 WeakPolarHBondContact O-CB 3.36Å; I245-I249 VanDerWaalsContact O-CG1 3.28Å; I245-I249 WeakPolarHBondContact O-CG1 3.26Å; I245-I249 PolarHBondContact O-N 2.88Å; F246-I249 PolarHBondContact O-N 3.14Å; I249-N251 PolarHBondContact O-N 3.48Å; I249-F252 WeakPolarHBondContact O-CB 3.46Å; I249-F252 PolarHBondContact O-N 3.3Å; I249-I253 HydrophobicContact CG2-CD1 4.02Å; I249-I253 WeakPolarHBondContact O-CG1 3.48Å; I249-I253 PolarHBondContact O-N 3.29Å |
| 250 | N | 91.5 | Very high | 88 | Confident | 87 Ų | 87 | 73.7 Ų | 73.7 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.4 | -173.7 | 67.8 | 0 | 0 | 0 | 111.2 | F246 Y247 F252 I253 H254 | F246-N250 VanDerWaalsContact O-CB 3.28Å; F246-N250 WeakPolarHBondContact O-CB 3.28Å; F246-N250 PolarHBondContact O-N 3.37Å; Y247-N250 PolarHBondContact O-N 3.41Å; N250-F252 VanDerWaalsContact C-N 3.31Å; N250-F252 PolarHBondContact O-N 2.95Å; N250-I253 PolarHBondContact O-N 3.39Å; N250-H254 PolarHBondContact O-CD2 3.19Å; N250-H254 PolarHBondContact O-N 2.8Å |
| 251 | N | 89.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 14% | 0.139 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.8 | -167.1 | 19.4 | 0 | 0 | 0 | 112.1 | Y247 I248 I249 H254 I255 | Y247-N251 WeakPolarHBondContact O-CB 3.33Å; Y247-N251 PolarHBondContact O-N 3Å; I248-N251 PolarHBondContact O-N 3.34Å; I249-N251 PolarHBondContact O-N 3.48Å; N251-H254 PolarHBondContact O-N 3.48Å; N251-I255 PolarHBondContact O-N 3.41Å; N251-I255 WeakPolarHBondContact OD1-CD1 3.39Å |
| 252 | F | 91.5 | Very high | 90.2 | Very high | 24 Ų | 24 | 77.4 Ų | 77.4 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.9 | 175.3 | -100.3 | 0 | 0 | 0 | 112 | L228 F232 I234 L236 I248 I249 N250 H254 I255 I256 | L228-F252 HydrophobicContact CB-CD2 4.19Å; L228-F252 HydrophobicContact CB-CE2 4.05Å; L228-F252 HydrophobicContact CD1-CD1 4.32Å; L228-F252 HydrophobicContact CD1-CD2 4.09Å; L228-F252 HydrophobicContact CD1-CE1 4.48Å; L228-F252 HydrophobicContact CD1-CE2 4.26Å; L228-F252 HydrophobicContact CD1-CG 4.12Å; L228-F252 HydrophobicContact CD1-CZ 4.46Å; F232-F252 HydrophobicContact CD1-CE2 4.36Å; F232-F252 HydrophobicContact CD1-CZ 4.2Å; F232-F252 AromaticContact CD2-CE2 3.86Å; F232-F252 HydrophobicContact CD2-CE2 3.86Å; F232-F252 AromaticContact CD2-CZ 3.97Å; F232-F252 HydrophobicContact CD2-CZ 3.97Å; F232-F252 AromaticContact CE1-CZ 3.98Å; F232-F252 HydrophobicContact CE1-CZ 3.98Å; F232-F252 HydrophobicContact CE2-CE2 4.1Å; F232-F252 AromaticContact CE2-CZ 3.73Å; F232-F252 HydrophobicContact CE2-CZ 3.73Å; F232-F252 HydrophobicContact CG-CE2 4.02Å; F232-F252 HydrophobicContact CG-CZ 4.22Å; F232-F252 HydrophobicContact CZ-CE2 4.46Å; F232-F252 AromaticContact CZ-CZ 3.75Å; F232-F252 HydrophobicContact CZ-CZ 3.75Å; I234-F252 HydrophobicContact CD1-CD2 3.74Å; I234-F252 HydrophobicContact CD1-CE2 3.74Å; L236-F252 HydrophobicContact CD1-CB 4.37Å; L236-F252 HydrophobicContact CD1-CD2 3.87Å; L236-F252 HydrophobicContact CD2-CB 4Å; L236-F252 HydrophobicContact CD2-CD2 4.11Å; I248-F252 VanDerWaalsContact O-CB 3.25Å; I248-F252 WeakPolarHBondContact O-CB 3.39Å; I248-F252 PolarHBondContact O-N 3.07Å; I249-F252 WeakPolarHBondContact O-CB 3.46Å; I249-F252 PolarHBondContact O-N 3.3Å; N250-F252 VanDerWaalsContact C-N 3.31Å; N250-F252 PolarHBondContact O-N 2.95Å; F252-H254 PolarHBondContact O-N 3.21Å; F252-I255 PolarHBondContact O-N 3.2Å; F252-I256 HydrophobicContact CE1-CD1 3.75Å; F252-I256 HydrophobicContact CE1-CG1 4.35Å; F252-I256 HydrophobicContact CZ-CD1 3.84Å; F252-I256 HydrophobicContact CZ-CG1 4.09Å; F252-I256 WeakPolarHBondContact O-CB 3.49Å; F252-I256 PolarHBondContact O-N 3.44Å |
| 253 | I | 92.3 | Very high | 90.8 | Very high | 104 Ų | 104 | 73 Ų | 73 | 53% | 0.533 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.4 | -35.7 | 176.8 | -68.7 | 164.7 | 0 | 0 | 0 | 111.3 | I249 N250 I256 | I249-I253 HydrophobicContact CG2-CD1 4.02Å; I249-I253 WeakPolarHBondContact O-CG1 3.48Å; I249-I253 PolarHBondContact O-N 3.29Å; N250-I253 PolarHBondContact O-N 3.39Å; I253-I256 WeakPolarHBondContact O-CG2 3.4Å |
| 254 | H | 90.9 | Very high | 91.2 | Very high | 130 Ų | 130 | 69.3 Ų | 69.3 | 60% | 0.602 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.4 | -40.1 | 177.5 | -72 | -63.8 | 0 | 0 | 0 | 113.4 | N250 N251 F252 | N250-H254 PolarHBondContact O-CD2 3.19Å; N250-H254 PolarHBondContact O-N 2.8Å; N251-H254 PolarHBondContact O-N 3.48Å; F252-H254 PolarHBondContact O-N 3.21Å |
| 255 | I | 91.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -88.8 | -13.1 | -174.8 | -63 | 175 | 0 | 0 | 0 | 112.8 | I234 L236 N251 F252 K257 E258 | I234-I255 HydrophobicContact CB-CG2 4.35Å; I234-I255 HydrophobicContact CD1-CG2 4.09Å; L236-I255 HydrophobicContact CD2-CB 4.47Å; L236-I255 HydrophobicContact CD2-CD1 4.43Å; N251-I255 PolarHBondContact O-N 3.41Å; N251-I255 WeakPolarHBondContact OD1-CD1 3.39Å; F252-I255 PolarHBondContact O-N 3.2Å; I255-K257 PolarHBondContact O-N 3.3Å; I255-E258 HydrophobicContact CG2-CB 4.35Å; I255-E258 WeakPolarHBondContact O-CB 3.41Å; I255-E258 PolarHBondContact O-N 3.2Å |
| 256 | I | 91.4 | Very high | 92.1 | Very high | 71 Ų | 71 | 74.2 Ų | 74.2 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -52 | -25.5 | -174.9 | -161.2 | 170.2 | 0 | 0 | 0 | 114.4 | F252 I253 E258 T259 | F252-I256 HydrophobicContact CE1-CD1 3.75Å; F252-I256 HydrophobicContact CE1-CG1 4.35Å; F252-I256 HydrophobicContact CZ-CD1 3.84Å; F252-I256 HydrophobicContact CZ-CG1 4.09Å; F252-I256 WeakPolarHBondContact O-CB 3.49Å; F252-I256 PolarHBondContact O-N 3.44Å; I253-I256 WeakPolarHBondContact O-CG2 3.4Å; I256-E258 PolarHBondContact O-N 3.35Å; I256-T259 VanDerWaalsContact O-CB 3.3Å; I256-T259 WeakPolarHBondContact O-CB 3.23Å; I256-T259 PolarHBondContact O-N 3.46Å; I256-T259 PolarHBondContact O-OG1 3.33Å |
| 257 | K | 90.1 | Very high | 92.4 | Very high | 195 Ų | 195 | 68.9 Ų | 68.9 | 85% | 0.848 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -65.3 | -22.9 | 176.5 | -64.3 | -177.5 | -178.9 | 178.4 | 0 | 113.6 | I255 T259 | I255-K257 PolarHBondContact O-N 3.3Å; K257-T259 VanDerWaalsContact C-N 3.26Å; K257-T259 PolarHBondContact O-N 3.37Å |
| 258 | E | 90.3 | Very high | 92.9 | Very high | 153 Ų | 153 | 66.5 Ų | 66.5 | 72% | 0.715 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -88.4 | 11.1 | 179.1 | -58.9 | -175.7 | 172.2 | 0 | 0 | 113 | I255 I256 N260 | I255-E258 HydrophobicContact CG2-CB 4.35Å; I255-E258 WeakPolarHBondContact O-CB 3.41Å; I255-E258 PolarHBondContact O-N 3.2Å; I256-E258 PolarHBondContact O-N 3.35Å; E258-N260 PolarHBondContact O-N 3.26Å |
| 259 | T | 92.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 70 Ų | 70 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | trans | -58.1 | 132.2 | 179.9 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | F232 I256 K257 L261 L264 | F232-T259 HydrophobicContact CB-CG2 4.04Å; F232-T259 HydrophobicContact CD1-CG2 3.69Å; F232-T259 HydrophobicContact CG-CG2 4.34Å; F232-T259 WeakPolarHBondContact O-CG2 3.47Å; I256-T259 VanDerWaalsContact O-CB 3.3Å; I256-T259 WeakPolarHBondContact O-CB 3.23Å; I256-T259 PolarHBondContact O-N 3.46Å; I256-T259 PolarHBondContact O-OG1 3.33Å; K257-T259 VanDerWaalsContact C-N 3.26Å; K257-T259 PolarHBondContact O-N 3.37Å; T259-L261 PolarHBondContact O-N 2.9Å; T259-L264 HydrophobicContact CG2-CB 4.04Å; T259-L264 HydrophobicContact CG2-CD2 4.08Å | ||
| 260 | N | 93.8 | Very high | 93.6 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | trans | -77.5 | 104.9 | 169 | -176.9 | -34 | 0 | 0 | 0 | 109.8 | F232 E258 V262 T263 L264 Y316 G317 | F232-N260 PolarHBondContact O-N 2.96Å; E258-N260 PolarHBondContact O-N 3.26Å; N260-V262 VanDerWaalsContact C-N 3.26Å; N260-V262 PolarHBondContact O-N 3.46Å; N260-V262 PolarHBondContact OD1-N 2.76Å; N260-V262 VanDerWaalsContact OD1-N 3.07Å; N260-T263 VanDerWaalsContact CG-OG1 3.25Å; N260-T263 PolarHBondContact ND2-OG1 3.23Å; N260-T263 WeakPolarHBondContact O-CB 3.25Å; N260-T263 PolarHBondContact O-N 3.27Å; N260-T263 PolarHBondContact OD1-N 3.02Å; N260-T263 PolarHBondContact OD1-OG1 3.43Å; N260-L264 PolarHBondContact O-N 3.44Å; N260-Y316 PolarHBondContact ND2-O 3.1Å; N260-G317 PolarHBondContact ND2-O 3.38Å | ||
| 261 | L | 94.1 | Very high | 93.8 | Very high | 133 Ų | 133 | 65.2 Ų | 65.2 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.1 | -35.2 | -176.4 | -63.6 | 179.5 | 0 | 0 | 0 | 113.6 | T259 L264 L265 | T259-L261 PolarHBondContact O-N 2.9Å; L261-L264 PolarHBondContact O-N 3.03Å; L261-L265 VanDerWaalsContact O-CB 3.31Å; L261-L265 WeakPolarHBondContact O-CB 3.49Å; L261-L265 PolarHBondContact O-N 3.47Å |
| 262 | V | 94.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | N260 L265 I266 Y316 V318 | N260-V262 VanDerWaalsContact C-N 3.26Å; N260-V262 PolarHBondContact O-N 3.46Å; N260-V262 PolarHBondContact OD1-N 2.76Å; N260-V262 VanDerWaalsContact OD1-N 3.07Å; V262-L265 PolarHBondContact O-N 3.1Å; V262-I266 HydrophobicContact CG1-CD1 3.89Å; V262-I266 VanDerWaalsContact O-CG1 3.25Å; V262-I266 WeakPolarHBondContact O-CG1 3.42Å; V262-I266 PolarHBondContact O-N 3.43Å; V262-Y316 HydrophobicContact CB-CG 4.49Å; V262-Y316 HydrophobicContact CG1-CD2 4.49Å; V262-Y316 HydrophobicContact CG1-CG 4.16Å; V262-Y316 HydrophobicContact CG2-CD1 3.77Å; V262-Y316 HydrophobicContact CG2-CE1 4.47Å; V262-Y316 HydrophobicContact CG2-CG 4.05Å; V262-V318 HydrophobicContact CB-CG2 4.4Å; V262-V318 HydrophobicContact CG1-CG2 3.97Å |
| 263 | T | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 111 | N260 I266 S267 C441 | N260-T263 VanDerWaalsContact CG-OG1 3.25Å; N260-T263 PolarHBondContact ND2-OG1 3.23Å; N260-T263 WeakPolarHBondContact O-CB 3.25Å; N260-T263 PolarHBondContact O-N 3.27Å; N260-T263 PolarHBondContact OD1-N 3.02Å; N260-T263 PolarHBondContact OD1-OG1 3.43Å; T263-I266 PolarHBondContact O-N 3.29Å; T263-S267 WeakPolarHBondContact O-CB 3.45Å; T263-S267 PolarHBondContact O-N 3.05Å; T263-C441 HydrophobicContact CG2-CB 3.49Å; T263-C441 VanDerWaalsContact CG2-CB 3.49Å |
| 264 | L | 96.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 65.8 Ų | 65.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.7 | -179.5 | 64.5 | 0 | 0 | 0 | 111.5 | F232 T259 N260 L261 I266 S267 I268 | F232-L264 HydrophobicContact CD1-CD1 3.88Å; F232-L264 HydrophobicContact CE1-CD1 3.75Å; F232-L264 HydrophobicContact CE1-CD2 4.4Å; F232-L264 HydrophobicContact CG-CD1 4.31Å; F232-L264 HydrophobicContact CZ-CD1 4.08Å; T259-L264 HydrophobicContact CG2-CB 4.04Å; T259-L264 HydrophobicContact CG2-CD2 4.08Å; N260-L264 PolarHBondContact O-N 3.44Å; L261-L264 PolarHBondContact O-N 3.03Å; L264-I266 PolarHBondContact O-N 3.1Å; L264-S267 PolarHBondContact O-N 3.11Å; L264-S267 VanDerWaalsContact O-N 3.16Å; L264-S267 PolarHBondContact O-OG 2.88Å; L264-I268 HydrophobicContact CD1-CD1 4.06Å; L264-I268 HydrophobicContact CD1-CG1 4.34Å; L264-I268 HydrophobicContact CG-CD1 3.91Å; L264-I268 WeakPolarHBondContact O-CG1 3.14Å; L264-I268 PolarHBondContact O-N 3.27Å |
| 265 | L | 96.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 65.2 Ų | 65.2 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 179.4 | -172.2 | 160 | 0 | 0 | 0 | 111.5 | L261 V262 S267 I268 I269 | L261-L265 VanDerWaalsContact O-CB 3.31Å; L261-L265 WeakPolarHBondContact O-CB 3.49Å; L261-L265 PolarHBondContact O-N 3.47Å; V262-L265 PolarHBondContact O-N 3.1Å; L265-S267 VanDerWaalsContact C-N 3.29Å; L265-S267 PolarHBondContact O-N 2.92Å; L265-I268 PolarHBondContact O-N 3.16Å; L265-I269 HydrophobicContact CD2-CD1 3.37Å; L265-I269 HydrophobicContact CD2-CG1 4.12Å; L265-I269 HydrophobicContact CG-CD1 4.47Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.35Å |
| 266 | I | 95.7 | Very high | 94.8 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 175.6 | -67.7 | 165.6 | 0 | 0 | 0 | 110.1 | V262 T263 L264 I268 I269 C270 L312 V318 V442 | V262-I266 HydrophobicContact CG1-CD1 3.89Å; V262-I266 VanDerWaalsContact O-CG1 3.25Å; V262-I266 WeakPolarHBondContact O-CG1 3.42Å; V262-I266 PolarHBondContact O-N 3.43Å; T263-I266 PolarHBondContact O-N 3.29Å; L264-I266 PolarHBondContact O-N 3.1Å; I266-I268 PolarHBondContact O-N 3.32Å; I266-I269 PolarHBondContact O-N 2.77Å; I266-C270 WeakPolarHBondContact O-CB 3.48Å; I266-C270 PolarHBondContact O-N 3.03Å; I266-C270 PolarHBondContact O-SG 3.46Å; I266-L312 HydrophobicContact CD1-CD1 3.79Å; I266-V318 HydrophobicContact CD1-CG2 4.36Å; I266-V442 HydrophobicContact CG2-CG2 4.21Å |
| 267 | S | 96.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | -179.7 | 77.9 | 0 | 0 | 0 | 0 | 112.6 | L231 T263 L264 L265 C270 I271 S445 | L231-S267 PolarHBondContact O-OG 2.82Å; T263-S267 WeakPolarHBondContact O-CB 3.45Å; T263-S267 PolarHBondContact O-N 3.05Å; L264-S267 PolarHBondContact O-N 3.11Å; L264-S267 VanDerWaalsContact O-N 3.16Å; L264-S267 PolarHBondContact O-OG 2.88Å; L265-S267 VanDerWaalsContact C-N 3.29Å; L265-S267 PolarHBondContact O-N 2.92Å; S267-C270 PolarHBondContact O-N 3.33Å; S267-I271 WeakPolarHBondContact O-CB 3.29Å; S267-I271 VanDerWaalsContact O-CG1 3.24Å; S267-I271 WeakPolarHBondContact O-CG1 3.37Å; S267-I271 PolarHBondContact O-N 3.04Å; S267-S445 WeakPolarHBondContact CA-OG 3.48Å; S267-S445 PolarHBondContact O-OG 3.43Å |
| 268 | I | 97.2 | Very high | 94.6 | Very high | 80 Ų | 80 | 58.7 Ų | 58.7 | 41% | 0.41 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 177.7 | -69.2 | 169.1 | 0 | 0 | 0 | 110.4 | L264 L265 I266 C270 I271 I272 | L264-I268 HydrophobicContact CD1-CD1 4.06Å; L264-I268 HydrophobicContact CD1-CG1 4.34Å; L264-I268 HydrophobicContact CG-CD1 3.91Å; L264-I268 WeakPolarHBondContact O-CG1 3.14Å; L264-I268 PolarHBondContact O-N 3.27Å; L265-I268 PolarHBondContact O-N 3.16Å; I266-I268 PolarHBondContact O-N 3.32Å; I268-C270 PolarHBondContact O-N 2.66Å; I268-I271 PolarHBondContact O-N 3.41Å; I268-I272 HydrophobicContact CG2-CD1 3.62Å; I268-I272 HydrophobicContact CG2-CG1 4.36Å; I268-I272 WeakPolarHBondContact O-CB 3.27Å; I268-I272 VanDerWaalsContact O-CG1 3.27Å; I268-I272 WeakPolarHBondContact O-CG1 3.42Å; I268-I272 PolarHBondContact O-N 2.93Å |
| 269 | I | 97.1 | Very high | 94.4 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 43% | 0.431 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 177.1 | -69.3 | -179.2 | 0 | 0 | 0 | 110.6 | L265 I266 I271 I272 I273 | L265-I269 HydrophobicContact CD2-CD1 3.37Å; L265-I269 HydrophobicContact CD2-CG1 4.12Å; L265-I269 HydrophobicContact CG-CD1 4.47Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.35Å; I266-I269 PolarHBondContact O-N 2.77Å; I269-I271 PolarHBondContact O-N 2.92Å; I269-I272 PolarHBondContact O-N 3.3Å; I269-I273 HydrophobicContact CG2-CD1 3.59Å; I269-I273 HydrophobicContact CG2-CG1 4.31Å; I269-I273 WeakPolarHBondContact O-CB 3.07Å; I269-I273 VanDerWaalsContact O-CG1 3.27Å; I269-I273 WeakPolarHBondContact O-CG1 3.43Å; I269-I273 PolarHBondContact O-N 3.42Å |
| 270 | C | 96.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 178 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | I266 S267 I268 I273 I274 V299 | I266-C270 WeakPolarHBondContact O-CB 3.48Å; I266-C270 PolarHBondContact O-N 3.03Å; I266-C270 PolarHBondContact O-SG 3.46Å; S267-C270 PolarHBondContact O-N 3.33Å; I268-C270 PolarHBondContact O-N 2.66Å; C270-I273 PolarHBondContact O-N 3.06Å; C270-I274 WeakPolarHBondContact O-CB 3.41Å; C270-I274 WeakPolarHBondContact O-CD1 3.44Å; C270-I274 WeakPolarHBondContact O-CG1 3.33Å; C270-I274 PolarHBondContact O-N 3.26Å; C270-V299 HydrophobicContact CB-CG1 4.08Å |
| 271 | I | 96.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 59 Ų | 59 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 178.4 | -71.2 | 168.1 | 0 | 0 | 0 | 110.5 | L231 S267 I268 I269 I273 I274 W275 V448 V449 | L231-I271 HydrophobicContact CD2-CD1 4.03Å; S267-I271 WeakPolarHBondContact O-CB 3.29Å; S267-I271 VanDerWaalsContact O-CG1 3.24Å; S267-I271 WeakPolarHBondContact O-CG1 3.37Å; S267-I271 PolarHBondContact O-N 3.04Å; I268-I271 PolarHBondContact O-N 3.41Å; I269-I271 PolarHBondContact O-N 2.92Å; I271-I273 PolarHBondContact O-N 3.49Å; I271-I274 PolarHBondContact O-N 2.86Å; I271-W275 WeakPolarHBondContact O-CB 3.47Å; I271-W275 PolarHBondContact O-N 3.38Å; I271-V448 HydrophobicContact CD1-CG1 4.27Å; I271-V449 HydrophobicContact CB-CG2 4.35Å; I271-V449 HydrophobicContact CG1-CG2 4.29Å; I271-V449 HydrophobicContact CG2-CG2 4.07Å |
| 272 | I | 96.8 | Very high | 93.2 | Very high | 99 Ų | 99 | 54.5 Ų | 54.5 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | -178.8 | -69.2 | 170.4 | 0 | 0 | 0 | 110.9 | I268 I269 C276 | I268-I272 HydrophobicContact CG2-CD1 3.62Å; I268-I272 HydrophobicContact CG2-CG1 4.36Å; I268-I272 WeakPolarHBondContact O-CB 3.27Å; I268-I272 VanDerWaalsContact O-CG1 3.27Å; I268-I272 WeakPolarHBondContact O-CG1 3.42Å; I268-I272 PolarHBondContact O-N 2.93Å; I269-I272 PolarHBondContact O-N 3.3Å; I272-C276 WeakPolarHBondContact O-CB 3.27Å; I272-C276 PolarHBondContact O-N 3.44Å |
| 273 | I | 96.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 56 Ų | 56 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -53.2 | 178.8 | -71.2 | 173 | 0 | 0 | 0 | 110.2 | I269 C270 I271 W275 C276 F277 I295 V299 | I269-I273 HydrophobicContact CG2-CD1 3.59Å; I269-I273 HydrophobicContact CG2-CG1 4.31Å; I269-I273 WeakPolarHBondContact O-CB 3.07Å; I269-I273 VanDerWaalsContact O-CG1 3.27Å; I269-I273 WeakPolarHBondContact O-CG1 3.43Å; I269-I273 PolarHBondContact O-N 3.42Å; C270-I273 PolarHBondContact O-N 3.06Å; I271-I273 PolarHBondContact O-N 3.49Å; I273-W275 VanDerWaalsContact C-N 3.34Å; I273-W275 PolarHBondContact O-N 3.49Å; I273-C276 PolarHBondContact O-N 3.41Å; I273-F277 HydrophobicContact CG2-CD2 4.02Å; I273-F277 HydrophobicContact CG2-CE2 4.18Å; I273-F277 WeakPolarHBondContact O-CB 3.28Å; I273-F277 VanDerWaalsContact O-CD2 3.26Å; I273-F277 WeakPolarHBondContact O-CD2 3.12Å; I273-F277 PolarHBondContact O-N 2.65Å; I273-I295 HydrophobicContact CG2-CD1 3.81Å; I273-I295 HydrophobicContact CG2-CG1 4.18Å; I273-V299 HydrophobicContact CG2-CG2 3.77Å |
| 274 | I | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | -177.8 | -61.1 | 166.6 | 0 | 0 | 0 | 110.1 | C270 I271 F277 K278 I295 E296 V299 I446 V449 | C270-I274 WeakPolarHBondContact O-CB 3.41Å; C270-I274 WeakPolarHBondContact O-CD1 3.44Å; C270-I274 WeakPolarHBondContact O-CG1 3.33Å; C270-I274 PolarHBondContact O-N 3.26Å; I271-I274 PolarHBondContact O-N 2.86Å; I274-F277 PolarHBondContact O-N 3.02Å; I274-K278 VanDerWaalsContact O-CB 3.25Å; I274-K278 WeakPolarHBondContact O-CB 3.46Å; I274-K278 PolarHBondContact O-N 3.05Å; I274-I295 HydrophobicContact CG1-CG1 4.44Å; I274-I295 HydrophobicContact CG2-CG2 4.15Å; I274-E296 HydrophobicContact CG2-CG 4.41Å; I274-V299 HydrophobicContact CD1-CB 4.48Å; I274-V299 HydrophobicContact CD1-CG1 4.21Å; I274-V299 HydrophobicContact CG1-CB 4.36Å; I274-V299 HydrophobicContact CG1-CG1 4.43Å; I274-V299 HydrophobicContact CG1-CG2 3.95Å; I274-I446 HydrophobicContact CD1-CG1 3.86Å; I274-V449 HydrophobicContact CB-CB 4.5Å; I274-V449 HydrophobicContact CB-CG1 4.25Å; I274-V449 HydrophobicContact CB-CG2 4.23Å; I274-V449 HydrophobicContact CG2-CB 3.97Å; I274-V449 HydrophobicContact CG2-CG1 3.51Å; I274-V449 HydrophobicContact CG2-CG2 4.25Å |
| 275 | W | 93.8 | Very high | 91 | Very high | 118 Ų | 118 | 63.1 Ų | 63.1 | 45% | 0.447 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 179.4 | 179.1 | 84 | 0 | 0 | 0 | 112.6 | I271 I273 F277 K278 H279 E452 | I271-W275 WeakPolarHBondContact O-CB 3.47Å; I271-W275 PolarHBondContact O-N 3.38Å; I273-W275 VanDerWaalsContact C-N 3.34Å; I273-W275 PolarHBondContact O-N 3.49Å; W275-F277 PolarHBondContact O-N 3.35Å; W275-K278 PolarHBondContact O-N 3.43Å; W275-H279 AromaticContact CD1-CD2 3.41Å; W275-H279 VanDerWaalsContact CD1-CD2 3.41Å; W275-H279 AromaticContact CD1-NE2 3.8Å; W275-H279 AromaticContact CE2-CD2 3.85Å; W275-H279 AromaticContact NE1-CD2 3.27Å; W275-H279 PolarHBondContact NE1-CD2 2.91Å; W275-H279 VanDerWaalsContact NE1-CD2 3.27Å; W275-H279 AromaticContact NE1-NE2 3.63Å; W275-H279 PolarHBondContact O-CD2 3Å; W275-H279 PolarHBondContact O-N 2.71Å; W275-E452 PolarHBondContact NE1-OE1 2.92Å |
| 276 | C | 93.7 | Very high | 89.7 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | I272 I273 L280 I281 | I272-C276 WeakPolarHBondContact O-CB 3.27Å; I272-C276 PolarHBondContact O-N 3.44Å; I273-C276 PolarHBondContact O-N 3.41Å; C276-L280 WeakPolarHBondContact O-CA 3.43Å; C276-L280 VanDerWaalsContact O-CB 3.29Å; C276-L280 WeakPolarHBondContact O-CB 3.25Å; C276-L280 PolarHBondContact O-N 2.94Å; C276-I281 PolarHBondContact O-N 3.32Å |
| 277 | F | 91.1 | Very high | 88.6 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -64.1 | -44.1 | 176.8 | -90.2 | -100.2 | 0 | 0 | 0 | 111.8 | I273 I274 W275 I281 N282 I293 I295 | I273-F277 HydrophobicContact CG2-CD2 4.02Å; I273-F277 HydrophobicContact CG2-CE2 4.18Å; I273-F277 WeakPolarHBondContact O-CB 3.28Å; I273-F277 VanDerWaalsContact O-CD2 3.26Å; I273-F277 WeakPolarHBondContact O-CD2 3.12Å; I273-F277 PolarHBondContact O-N 2.65Å; I274-F277 PolarHBondContact O-N 3.02Å; W275-F277 PolarHBondContact O-N 3.35Å; F277-I281 HydrophobicContact CD1-CB 4.32Å; F277-I281 HydrophobicContact CD1-CD1 3.9Å; F277-I281 HydrophobicContact CD1-CG2 4.25Å; F277-I281 HydrophobicContact CD2-CD1 3.83Å; F277-I281 HydrophobicContact CE1-CD1 3.9Å; F277-I281 HydrophobicContact CE1-CG2 4.42Å; F277-I281 HydrophobicContact CE2-CD1 3.85Å; F277-I281 HydrophobicContact CG-CD1 3.88Å; F277-I281 HydrophobicContact CZ-CD1 3.88Å; F277-I281 PolarHBondContact O-N 3.48Å; F277-N282 WeakPolarHBondContact O-CB 3.43Å; F277-N282 PolarHBondContact O-N 3.26Å; F277-I293 HydrophobicContact CD1-CG2 4.17Å; F277-I293 HydrophobicContact CE1-CD1 4.47Å; F277-I293 HydrophobicContact CE1-CG2 4.29Å; F277-I295 HydrophobicContact CB-CB 3.94Å; F277-I295 HydrophobicContact CB-CD1 4.17Å; F277-I295 HydrophobicContact CB-CG1 3.69Å; F277-I295 HydrophobicContact CB-CG2 4.09Å; F277-I295 HydrophobicContact CD1-CB 4.36Å; F277-I295 HydrophobicContact CD1-CD1 3.83Å; F277-I295 HydrophobicContact CD1-CG1 4.21Å; F277-I295 HydrophobicContact CD2-CD1 3.68Å; F277-I295 HydrophobicContact CD2-CG1 4.06Å; F277-I295 HydrophobicContact CE1-CD1 4.1Å; F277-I295 HydrophobicContact CE2-CD1 3.95Å; F277-I295 HydrophobicContact CG-CB 4.2Å; F277-I295 HydrophobicContact CG-CD1 3.61Å; F277-I295 HydrophobicContact CG-CG1 3.72Å; F277-I295 HydrophobicContact CZ-CD1 4.15Å |
| 278 | K | 86.1 | Confident | 87.4 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -64.5 | -40.9 | -177.9 | -173.6 | -179.4 | 174.3 | -158.3 | 0 | 113.1 | I274 W275 P283 V449 E452 | I274-K278 VanDerWaalsContact O-CB 3.25Å; I274-K278 WeakPolarHBondContact O-CB 3.46Å; I274-K278 PolarHBondContact O-N 3.05Å; W275-K278 PolarHBondContact O-N 3.43Å; K278-P283 WeakPolarHBondContact O-CD 3.38Å; K278-V449 HydrophobicContact CD-CG1 4.14Å; K278-V449 PolarHBondContact NZ-O 3.07Å; K278-E452 IonicContact NZ-OE2 3.29Å; K278-E452 PolarHBondContact NZ-OE2 3.42Å |
| 279 | H | 86.5 | Confident | 86.1 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -98.7 | -36.9 | -174.5 | -73 | -73.1 | 0 | 0 | 0 | 115.2 | W275 P283 E452 | W275-H279 AromaticContact CD1-CD2 3.41Å; W275-H279 VanDerWaalsContact CD1-CD2 3.41Å; W275-H279 AromaticContact CD1-NE2 3.8Å; W275-H279 AromaticContact CE2-CD2 3.85Å; W275-H279 AromaticContact NE1-CD2 3.27Å; W275-H279 PolarHBondContact NE1-CD2 2.91Å; W275-H279 VanDerWaalsContact NE1-CD2 3.27Å; W275-H279 AromaticContact NE1-NE2 3.63Å; W275-H279 PolarHBondContact O-CD2 3Å; W275-H279 PolarHBondContact O-N 2.71Å; H279-P283 WeakPolarHBondContact O-CG 3.49Å; H279-E452 IonicContact CD2-OE1 3.47Å; H279-E452 IonicContact CD2-OE2 3.03Å; H279-E452 IonicContact CE1-OE1 3.22Å; H279-E452 PolarHBondContact CE1-OE1 2.84Å; H279-E452 IonicContact CE1-OE2 2.82Å; H279-E452 IonicContact NE2-OE1 2.69Å; H279-E452 PolarHBondContact NE2-OE1 3.42Å; H279-E452 IonicContact NE2-OE2 2.77Å; H279-E452 PolarHBondContact NE2-OE2 3.33Å |
| 280 | L | 87.9 | Confident | 84.8 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | I | π-helix | trans | -98 | -38.4 | -172.6 | -57.5 | 179.2 | 0 | 0 | 0 | 112.6 | C276 K284 | C276-L280 WeakPolarHBondContact O-CA 3.43Å; C276-L280 VanDerWaalsContact O-CB 3.29Å; C276-L280 WeakPolarHBondContact O-CB 3.25Å; C276-L280 PolarHBondContact O-N 2.94Å; L280-K284 WeakPolarHBondContact O-CD 3.47Å; L280-K284 WeakPolarHBondContact O-CG 3.23Å |
| 281 | I | 86.6 | Confident | 83.6 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -97.5 | -53.1 | -170.7 | -58 | 174.1 | 0 | 0 | 0 | 111.1 | C276 F277 K284 V285 I293 | C276-I281 PolarHBondContact O-N 3.32Å; F277-I281 HydrophobicContact CD1-CB 4.32Å; F277-I281 HydrophobicContact CD1-CD1 3.9Å; F277-I281 HydrophobicContact CD1-CG2 4.25Å; F277-I281 HydrophobicContact CD2-CD1 3.83Å; F277-I281 HydrophobicContact CE1-CD1 3.9Å; F277-I281 HydrophobicContact CE1-CG2 4.42Å; F277-I281 HydrophobicContact CE2-CD1 3.85Å; F277-I281 HydrophobicContact CG-CD1 3.88Å; F277-I281 HydrophobicContact CZ-CD1 3.88Å; F277-I281 PolarHBondContact O-N 3.48Å; I281-K284 PolarHBondContact O-N 3.34Å; I281-V285 HydrophobicContact CG2-CG2 3.62Å; I281-V285 WeakPolarHBondContact O-CG2 3.35Å; I281-V285 PolarHBondContact O-N 3.09Å; I281-I293 HydrophobicContact CG2-CD1 4.11Å |
| 282 | N | 81.8 | Confident | 82.6 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.203 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | -171.9 | -164.4 | 39.6 | 0 | 0 | 0 | 113 | F277 K284 V285 S286 | F277-N282 WeakPolarHBondContact O-CB 3.43Å; F277-N282 PolarHBondContact O-N 3.26Å; N282-K284 VanDerWaalsContact C-N 3.31Å; N282-K284 PolarHBondContact O-N 2.87Å; N282-V285 PolarHBondContact O-N 3.39Å; N282-S286 WeakPolarHBondContact O-CB 3.24Å; N282-S286 PolarHBondContact O-N 3.4Å |
| 283 | P | 79.3 | Confident | 82.1 | Confident | 78 Ų | 78 | 76.9 Ų | 76.9 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 174.3 | -25.2 | 37.2 | 0 | 0 | 0 | 113.1 | K278 H279 | K278-P283 WeakPolarHBondContact O-CD 3.38Å; H279-P283 WeakPolarHBondContact O-CG 3.49Å |
| 284 | K | 81.5 | Confident | 81.7 | Confident | 159 Ų | 159 | 75.1 Ų | 75.1 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -76.3 | -32.9 | 178.2 | -64.2 | -176.8 | -177 | 177.3 | 0 | 112.9 | L280 I281 N282 S287 | L280-K284 WeakPolarHBondContact O-CD 3.47Å; L280-K284 WeakPolarHBondContact O-CG 3.23Å; I281-K284 PolarHBondContact O-N 3.34Å; N282-K284 VanDerWaalsContact C-N 3.31Å; N282-K284 PolarHBondContact O-N 2.87Å; K284-S287 PolarHBondContact O-OG 3.26Å |
| 285 | V | 79.5 | Confident | 81.5 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.4 | -39.7 | 179.9 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | I281 N282 S287 K288 L289 I293 | I281-V285 HydrophobicContact CG2-CG2 3.62Å; I281-V285 WeakPolarHBondContact O-CG2 3.35Å; I281-V285 PolarHBondContact O-N 3.09Å; N282-V285 PolarHBondContact O-N 3.39Å; V285-S287 PolarHBondContact O-N 3.39Å; V285-S287 VanDerWaalsContact O-N 3.16Å; V285-K288 CarbonylContact O-C 3.53Å; V285-K288 WeakPolarHBondContact O-CA 3.47Å; V285-K288 PolarHBondContact O-N 2.88Å; V285-L289 HydrophobicContact CG1-CB 4.08Å; V285-L289 HydrophobicContact CG1-CD1 3.71Å; V285-L289 HydrophobicContact CG1-CG 4.17Å; V285-L289 PolarHBondContact O-N 3.48Å; V285-I293 HydrophobicContact CB-CD1 4.2Å; V285-I293 HydrophobicContact CG1-CD1 3.91Å; V285-I293 HydrophobicContact CG1-CG1 4.17Å; V285-I293 HydrophobicContact CG2-CD1 4.08Å |
| 286 | S | 69 | Low | 81.5 | Confident | 52 Ų | 52 | 72 Ų | 72 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.3 | -22.1 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | N282 K288 L289 | N282-S286 WeakPolarHBondContact O-CB 3.24Å; N282-S286 PolarHBondContact O-N 3.4Å; S286-K288 VanDerWaalsContact C-N 3.3Å; S286-L289 CarbonylContact C-O 3.49Å; S286-L289 WeakPolarHBondContact CA-O 3.41Å |
| 287 | S | 70.9 | Confident | 81.5 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 69% | 0.685 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.8 | 172.1 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | K284 V285 | K284-S287 PolarHBondContact O-OG 3.26Å; V285-S287 PolarHBondContact O-N 3.39Å; V285-S287 VanDerWaalsContact O-N 3.16Å |
| 288 | K | 72.2 | Confident | 81.7 | Confident | 184 Ų | 184 | 73 Ų | 73 | 80% | 0.8 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -35.9 | -174.8 | -162.2 | 172.7 | -173.3 | 178.6 | 0 | 113.3 | V285 S286 | V285-K288 CarbonylContact O-C 3.53Å; V285-K288 WeakPolarHBondContact O-CA 3.47Å; V285-K288 PolarHBondContact O-N 2.88Å; S286-K288 VanDerWaalsContact C-N 3.3Å |
| 289 | L | 70.8 | Confident | 82.1 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -109.5 | 122.7 | 170.6 | -66.6 | 174.1 | 0 | 0 | 0 | 106.5 | V285 S286 F291 | V285-L289 HydrophobicContact CG1-CB 4.08Å; V285-L289 HydrophobicContact CG1-CD1 3.71Å; V285-L289 HydrophobicContact CG1-CG 4.17Å; V285-L289 PolarHBondContact O-N 3.48Å; S286-L289 CarbonylContact C-O 3.49Å; S286-L289 WeakPolarHBondContact CA-O 3.41Å; L289-F291 PolarHBondContact O-N 3.1Å |
| 290 | H | 68.5 | Low | 82.5 | Confident | 171 Ų | 171 | 67.5 Ų | 67.5 | 79% | 0.792 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -65.5 | 18.9 | 170.5 | -61.9 | 157.3 | 0 | 0 | 0 | 113.3 | ||
| 291 | F | 71.6 | Confident | 82.8 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 31% | 0.307 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -127.5 | 127.2 | -174.4 | -174.9 | -103 | 0 | 0 | 0 | 109.5 | I92 L289 | I92-F291 HydrophobicContact CD1-CE2 4.44Å; I92-F291 HydrophobicContact CD1-CZ 3.92Å; L289-F291 PolarHBondContact O-N 3.1Å |
| 292 | T | 76.8 | Confident | 83.2 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | trans | -77.2 | 126.8 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | P294 | T292-P294 WeakPolarHBondContact O-CD 3.27Š| ||
| 293 | I | 85.4 | Confident | 83.8 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | trans | -64.8 | 124 | 177.5 | -63.3 | 173.6 | 0 | 0 | 0 | 108.9 | F277 I281 V285 I295 I298 | F277-I293 HydrophobicContact CD1-CG2 4.17Å; F277-I293 HydrophobicContact CE1-CD1 4.47Å; F277-I293 HydrophobicContact CE1-CG2 4.29Å; I281-I293 HydrophobicContact CG2-CD1 4.11Å; V285-I293 HydrophobicContact CB-CD1 4.2Å; V285-I293 HydrophobicContact CG1-CD1 3.91Å; V285-I293 HydrophobicContact CG1-CG1 4.17Å; V285-I293 HydrophobicContact CG2-CD1 4.08Å; I293-I295 VanDerWaalsContact C-N 3.27Å; I293-I295 PolarHBondContact O-N 2.95Å; I293-I298 HydrophobicContact CG2-CD1 4.08Å | ||
| 294 | P | 87.7 | Confident | 84.5 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | trans | -86.2 | 68.9 | -175.5 | 35.7 | -37.4 | 0 | 0 | 0 | 112.4 | I92 T292 E296 L297 I298 | I92-P294 HydrophobicContact CB-CB 4.5Å; I92-P294 HydrophobicContact CG2-CB 3Å; I92-P294 HydrophobicContact CG2-CG 3.72Å; T292-P294 WeakPolarHBondContact O-CD 3.27Å; P294-E296 VanDerWaalsContact C-N 3.29Å; P294-E296 PolarHBondContact O-N 3.38Å; P294-L297 HydrophobicContact CB-CB 4.29Å; P294-L297 PolarHBondContact O-N 3.42Å; P294-L297 VanDerWaalsContact O-N 3.16Å; P294-I298 HydrophobicContact CG-CD1 4.49Å; P294-I298 WeakPolarHBondContact O-CG1 3.29Å; P294-I298 PolarHBondContact O-N 3.46Å | ||
| 295 | I | 91.8 | Very high | 85.1 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -36 | -172 | -171.3 | 61.2 | 0 | 0 | 0 | 112.6 | I273 I274 F277 I293 L297 I298 V299 | I273-I295 HydrophobicContact CG2-CD1 3.81Å; I273-I295 HydrophobicContact CG2-CG1 4.18Å; I274-I295 HydrophobicContact CG1-CG1 4.44Å; I274-I295 HydrophobicContact CG2-CG2 4.15Å; F277-I295 HydrophobicContact CB-CB 3.94Å; F277-I295 HydrophobicContact CB-CD1 4.17Å; F277-I295 HydrophobicContact CB-CG1 3.69Å; F277-I295 HydrophobicContact CB-CG2 4.09Å; F277-I295 HydrophobicContact CD1-CB 4.36Å; F277-I295 HydrophobicContact CD1-CD1 3.83Å; F277-I295 HydrophobicContact CD1-CG1 4.21Å; F277-I295 HydrophobicContact CD2-CD1 3.68Å; F277-I295 HydrophobicContact CD2-CG1 4.06Å; F277-I295 HydrophobicContact CE1-CD1 4.1Å; F277-I295 HydrophobicContact CE2-CD1 3.95Å; F277-I295 HydrophobicContact CG-CB 4.2Å; F277-I295 HydrophobicContact CG-CD1 3.61Å; F277-I295 HydrophobicContact CG-CG1 3.72Å; F277-I295 HydrophobicContact CZ-CD1 4.15Å; I293-I295 VanDerWaalsContact C-N 3.27Å; I293-I295 PolarHBondContact O-N 2.95Å; I295-L297 VanDerWaalsContact C-N 3.3Å; I295-L297 PolarHBondContact O-N 2.95Å; I295-I298 HydrophobicContact CD1-CB 4.48Å; I295-I298 PolarHBondContact O-N 3.43Å; I295-V299 HydrophobicContact CD1-CG2 4.03Å; I295-V299 HydrophobicContact CG1-CG2 4.09Å; I295-V299 WeakPolarHBondContact O-CB 3.48Å; I295-V299 WeakPolarHBondContact O-CG2 3.3Å; I295-V299 PolarHBondContact O-N 2.81Å |
| 296 | E | 93.1 | Very high | 85.8 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 178.7 | -61.1 | 84.6 | 171.5 | 0 | 0 | 111.3 | P96 I274 P294 L300 I446 | P96-E296 HydrophobicContact CB-CB 3.65Å; P96-E296 HydrophobicContact CG-CB 3.92Å; I274-E296 HydrophobicContact CG2-CG 4.41Å; P294-E296 VanDerWaalsContact C-N 3.29Å; P294-E296 PolarHBondContact O-N 3.38Å; E296-L300 WeakPolarHBondContact O-CB 3.4Å; E296-L300 PolarHBondContact O-N 2.86Å; E296-I446 HydrophobicContact CB-CD1 4.47Å; E296-I446 HydrophobicContact CB-CG1 4.47Å; E296-I446 HydrophobicContact CG-CG2 4.27Å |
| 297 | L | 93.4 | Very high | 87 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 176.8 | -176.2 | 62.7 | 0 | 0 | 0 | 111.4 | I92 I95 P96 P294 I295 L300 T301 | I92-L297 HydrophobicContact CB-CD2 4.43Å; I92-L297 HydrophobicContact CG1-CD2 4.27Å; I92-L297 HydrophobicContact CG2-CD2 3.99Å; I95-L297 HydrophobicContact CB-CD1 4.25Å; I95-L297 HydrophobicContact CG2-CD1 3.94Å; P96-L297 HydrophobicContact CG-CB 3.72Å; P96-L297 HydrophobicContact CG-CD1 4.07Å; P294-L297 HydrophobicContact CB-CB 4.29Å; P294-L297 PolarHBondContact O-N 3.42Å; P294-L297 VanDerWaalsContact O-N 3.16Å; I295-L297 VanDerWaalsContact C-N 3.3Å; I295-L297 PolarHBondContact O-N 2.95Å; L297-L300 PolarHBondContact O-N 3.36Å; L297-T301 VanDerWaalsContact O-CB 3.29Å; L297-T301 WeakPolarHBondContact O-CB 3.35Å; L297-T301 PolarHBondContact O-N 3.38Å; L297-T301 PolarHBondContact O-OG1 2.93Å |
| 298 | I | 94.8 | Very high | 87.9 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.8 | -67.2 | 166.8 | 0 | 0 | 0 | 110.1 | I293 P294 I295 T301 A302 | I293-I298 HydrophobicContact CG2-CD1 4.08Å; P294-I298 HydrophobicContact CG-CD1 4.49Å; P294-I298 WeakPolarHBondContact O-CG1 3.29Å; P294-I298 PolarHBondContact O-N 3.46Å; I295-I298 HydrophobicContact CD1-CB 4.48Å; I295-I298 PolarHBondContact O-N 3.43Å; I298-T301 PolarHBondContact O-N 3.31Å; I298-A302 VanDerWaalsContact O-CB 3.29Å; I298-A302 WeakPolarHBondContact O-CB 3.28Å; I298-A302 PolarHBondContact O-N 3.4Å |
| 299 | V | 95.7 | Very high | 88.9 | Confident | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 179.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | C270 I273 I274 I295 G303 V442 | C270-V299 HydrophobicContact CB-CG1 4.08Å; I273-V299 HydrophobicContact CG2-CG2 3.77Å; I274-V299 HydrophobicContact CD1-CB 4.48Å; I274-V299 HydrophobicContact CD1-CG1 4.21Å; I274-V299 HydrophobicContact CG1-CB 4.36Å; I274-V299 HydrophobicContact CG1-CG1 4.43Å; I274-V299 HydrophobicContact CG1-CG2 3.95Å; I295-V299 HydrophobicContact CD1-CG2 4.03Å; I295-V299 HydrophobicContact CG1-CG2 4.09Å; I295-V299 WeakPolarHBondContact O-CB 3.48Å; I295-V299 WeakPolarHBondContact O-CG2 3.3Å; I295-V299 PolarHBondContact O-N 2.81Å; V299-G303 PolarHBondContact O-N 3.42Å; V299-V442 HydrophobicContact CG1-CG1 4.13Å |
| 300 | L | 94.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 174.2 | 178.8 | 65.9 | 0 | 0 | 0 | 111.6 | I95 P96 M99 E296 L297 T304 V438 V442 L443 I446 | I95-L300 HydrophobicContact CG2-CD2 4.36Å; P96-L300 HydrophobicContact CB-CD2 4.23Å; P96-L300 HydrophobicContact CG-CD2 4.37Å; M99-L300 HydrophobicContact SD-CD2 3.85Å; E296-L300 WeakPolarHBondContact O-CB 3.4Å; E296-L300 PolarHBondContact O-N 2.86Å; L297-L300 PolarHBondContact O-N 3.36Å; L300-T304 WeakPolarHBondContact O-CB 3.2Å; L300-T304 PolarHBondContact O-N 3.26Å; L300-T304 PolarHBondContact O-OG1 2.91Å; L300-V438 HydrophobicContact CD1-CG1 3.69Å; L300-V438 HydrophobicContact CD1-CG2 4.22Å; L300-V442 HydrophobicContact CD1-CG1 4.43Å; L300-L443 HydrophobicContact CD1-CD2 3.95Å; L300-I446 HydrophobicContact CB-CD1 4.46Å |
| 301 | T | 93.9 | Very high | 90.9 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | -178.7 | -55.1 | 0 | 0 | 0 | 0 | 111 | L297 I298 G303 T304 I305 | L297-T301 VanDerWaalsContact O-CB 3.29Å; L297-T301 WeakPolarHBondContact O-CB 3.35Å; L297-T301 PolarHBondContact O-N 3.38Å; L297-T301 PolarHBondContact O-OG1 2.93Å; I298-T301 PolarHBondContact O-N 3.31Å; T301-G303 PolarHBondContact O-N 3.3Å; T301-T304 WeakPolarHBondContact O-CB 3.34Å; T301-T304 PolarHBondContact O-N 3.21Å; T301-I305 HydrophobicContact CG2-CD1 4.01Å; T301-I305 WeakPolarHBondContact O-CG1 3.37Å; T301-I305 PolarHBondContact O-N 3.3Å |
| 302 | A | 94.9 | Very high | 91.7 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I298 T304 I305 I306 | I298-A302 VanDerWaalsContact O-CB 3.29Å; I298-A302 WeakPolarHBondContact O-CB 3.28Å; I298-A302 PolarHBondContact O-N 3.4Å; A302-T304 VanDerWaalsContact C-N 3.29Å; A302-T304 PolarHBondContact O-N 3.48Å; A302-I305 PolarHBondContact O-N 2.98Å; A302-I306 WeakPolarHBondContact O-CB 3.43Å; A302-I306 VanDerWaalsContact O-CG1 3.25Å; A302-I306 WeakPolarHBondContact O-CG1 3.37Å; A302-I306 PolarHBondContact O-N 3.26Å |
| 303 | G | 94.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 51 Ų | 51 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V299 T301 S307 | V299-G303 PolarHBondContact O-N 3.42Å; T301-G303 PolarHBondContact O-N 3.3Å; G303-S307 WeakPolarHBondContact O-CB 3.31Å; G303-S307 PolarHBondContact O-N 3.34Å |
| 304 | T | 93.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | L300 T301 A302 S307 K308 F434 T437 V438 | L300-T304 WeakPolarHBondContact O-CB 3.2Å; L300-T304 PolarHBondContact O-N 3.26Å; L300-T304 PolarHBondContact O-OG1 2.91Å; T301-T304 WeakPolarHBondContact O-CB 3.34Å; T301-T304 PolarHBondContact O-N 3.21Å; A302-T304 VanDerWaalsContact C-N 3.29Å; A302-T304 PolarHBondContact O-N 3.48Å; T304-S307 PolarHBondContact O-N 3.01Å; T304-K308 WeakPolarHBondContact O-CB 3.37Å; T304-K308 PolarHBondContact O-N 3.1Å; T304-F434 VanDerWaalsContact CG2-O 3.27Å; T304-F434 WeakPolarHBondContact CG2-O 3.39Å; T304-T437 WeakPolarHBondContact CG2-OG1 3.33Å; T304-V438 HydrophobicContact CG2-CG2 4.11Å; T304-V438 VanDerWaalsContact OG1-CG2 3.23Å; T304-V438 WeakPolarHBondContact OG1-CG2 3.29Å |
| 305 | I | 94.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 64 Ų | 64 | 46% | 0.456 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 178.7 | -68.7 | 168.5 | 0 | 0 | 0 | 110.4 | T301 A302 S307 K308 F309 | T301-I305 HydrophobicContact CG2-CD1 4.01Å; T301-I305 WeakPolarHBondContact O-CG1 3.37Å; T301-I305 PolarHBondContact O-N 3.3Å; A302-I305 PolarHBondContact O-N 2.98Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 PolarHBondContact O-N 3.13Å; I305-K308 PolarHBondContact O-N 2.86Å; I305-F309 HydrophobicContact CG2-CD2 3.75Å; I305-F309 HydrophobicContact CG2-CE2 3.97Å; I305-F309 VanDerWaalsContact O-CD2 3.3Å; I305-F309 WeakPolarHBondContact O-CD2 3.37Å; I305-F309 PolarHBondContact O-N 2.96Å |
| 306 | I | 94.4 | Very high | 92.5 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 179.1 | -65.4 | 165.7 | 0 | 0 | 0 | 110.6 | A302 K308 G310 L312 | A302-I306 WeakPolarHBondContact O-CB 3.43Å; A302-I306 VanDerWaalsContact O-CG1 3.25Å; A302-I306 WeakPolarHBondContact O-CG1 3.37Å; A302-I306 PolarHBondContact O-N 3.26Å; I306-K308 PolarHBondContact O-N 3.23Å; I306-G310 VanDerWaalsContact O-CA 3.31Å; I306-G310 WeakPolarHBondContact O-CA 3.18Å; I306-G310 PolarHBondContact O-N 3.35Å; I306-L312 HydrophobicContact CG2-CD1 4.27Å |
| 307 | S | 93.7 | Very high | 92.3 | Very high | 6 Ų | 6 | 68.4 Ų | 68.4 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 177 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | G303 T304 I305 L311 L312 T437 | G303-S307 WeakPolarHBondContact O-CB 3.31Å; G303-S307 PolarHBondContact O-N 3.34Å; T304-S307 PolarHBondContact O-N 3.01Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 PolarHBondContact O-N 3.13Å; S307-L311 WeakPolarHBondContact O-CA 3.23Å; S307-L311 PolarHBondContact O-N 3.45Å; S307-L311 VanDerWaalsContact O-N 3.09Å; S307-L312 PolarHBondContact O-N 3.32Å; S307-T437 WeakPolarHBondContact CB-O 3.23Å; S307-T437 PolarHBondContact OG-O 2.93Å |
| 308 | K | 91.5 | Very high | 92.2 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -50.3 | 180 | -176.8 | 175.5 | 179.3 | -178.8 | 0 | 112.3 | T304 I305 I306 T437 | T304-K308 WeakPolarHBondContact O-CB 3.37Å; T304-K308 PolarHBondContact O-N 3.1Å; I305-K308 PolarHBondContact O-N 2.86Å; I306-K308 PolarHBondContact O-N 3.23Å; K308-T437 HydrophobicContact CB-CG2 4.36Å |
| 309 | F | 92.8 | Very high | 92 | Very high | 170 Ų | 170 | 64.5 Ų | 64.5 | 75% | 0.746 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -79.4 | -31.4 | -177 | -72.1 | -72.3 | 0 | 0 | 0 | 113.2 | I305 L311 | I305-F309 HydrophobicContact CG2-CD2 3.75Å; I305-F309 HydrophobicContact CG2-CE2 3.97Å; I305-F309 VanDerWaalsContact O-CD2 3.3Å; I305-F309 WeakPolarHBondContact O-CD2 3.37Å; I305-F309 PolarHBondContact O-N 2.96Å; F309-L311 VanDerWaalsContact C-N 3.33Å |
| 310 | G | 91.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 66 Ų | 66 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -82.9 | -6.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I306 L312 | I306-G310 VanDerWaalsContact O-CA 3.31Å; I306-G310 WeakPolarHBondContact O-CA 3.18Å; I306-G310 PolarHBondContact O-N 3.35Å; G310-L312 PolarHBondContact O-N 2.9Å |
| 311 | L | 90.1 | Very high | 91.4 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45.3 | -175.2 | -63.5 | 172.3 | 0 | 0 | 0 | 112.2 | S307 F309 N313 Q314 R315 | S307-L311 WeakPolarHBondContact O-CA 3.23Å; S307-L311 PolarHBondContact O-N 3.45Å; S307-L311 VanDerWaalsContact O-N 3.09Å; F309-L311 VanDerWaalsContact C-N 3.33Å; L311-N313 PolarHBondContact O-N 3Å; L311-N313 VanDerWaalsContact O-N 3.09Å; L311-Q314 PolarHBondContact O-N 2.98Å; L311-R315 WeakPolarHBondContact O-CB 3.38Å; L311-R315 PolarHBondContact O-N 3.29Å |
| 312 | L | 88.3 | Confident | 91 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57 | -33.8 | -169.1 | -68.6 | -178.2 | 0 | 0 | 0 | 113.5 | I266 I306 S307 G310 Y316 G317 V318 | I266-L312 HydrophobicContact CD1-CD1 3.79Å; I306-L312 HydrophobicContact CG2-CD1 4.27Å; S307-L312 PolarHBondContact O-N 3.32Å; G310-L312 PolarHBondContact O-N 2.9Å; L312-Y316 HydrophobicContact CD2-CD2 3.69Å; L312-Y316 HydrophobicContact CD2-CE2 4.08Å; L312-Y316 CarbonylContact O-C 3.51Å; L312-Y316 WeakPolarHBondContact O-CA 3.22Å; L312-Y316 WeakPolarHBondContact O-CB 3.36Å; L312-Y316 PolarHBondContact O-N 2.79Å; L312-G317 PolarHBondContact O-N 3.13Å; L312-V318 HydrophobicContact CB-CB 4Å; L312-V318 HydrophobicContact CB-CG2 4.06Å; L312-V318 PolarHBondContact O-N 3.29Å |
| 313 | N | 88.6 | Confident | 90.2 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.7 | -48.8 | 176.9 | -179.9 | -106.6 | 0 | 0 | 0 | 112.6 | L311 G317 V318 I320 | L311-N313 PolarHBondContact O-N 3Å; L311-N313 VanDerWaalsContact O-N 3.09Å; N313-G317 VanDerWaalsContact O-CA 3.28Å; N313-G317 WeakPolarHBondContact O-CA 3.28Å; N313-G317 PolarHBondContact O-N 3.19Å; N313-G317 VanDerWaalsContact O-N 3.12Å; N313-V318 WeakPolarHBondContact CA-O 3.46Å; N313-V318 WeakPolarHBondContact CB-O 3.48Å; N313-V318 PolarHBondContact ND2-O 3.29Å; N313-I320 HydrophobicContact CB-CD1 3.9Å; N313-I320 HydrophobicContact CB-CG1 4.08Å; N313-I320 HydrophobicContact CB-CG2 3.98Å |
| 314 | Q | 88.2 | Confident | 89.4 | Confident | 153 Ų | 153 | 69.4 Ų | 69.4 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -74.9 | -38.9 | -176.3 | -66.6 | 175.2 | -1.1 | 0 | 0 | 112 | L311 | L311-Q314 PolarHBondContact O-N 2.98Å |
| 315 | R | 90.2 | Very high | 88.6 | Confident | 185 Ų | 185 | 72 Ų | 72 | 70% | 0.698 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -86.6 | -34.8 | -173.7 | -173.3 | 171.3 | 178.2 | 167.4 | 1.4 | 113.8 | L311 | L311-R315 WeakPolarHBondContact O-CB 3.38Å; L311-R315 PolarHBondContact O-N 3.29Å |
| 316 | Y | 90.7 | Very high | 87.8 | Confident | 95 Ų | 95 | 71 Ų | 71 | 37% | 0.373 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -125.3 | 6.4 | -171.7 | -58.8 | -71 | 0 | 0 | 0 | 113.4 | N260 V262 L312 V318 | N260-Y316 PolarHBondContact ND2-O 3.1Å; V262-Y316 HydrophobicContact CB-CG 4.49Å; V262-Y316 HydrophobicContact CG1-CD2 4.49Å; V262-Y316 HydrophobicContact CG1-CG 4.16Å; V262-Y316 HydrophobicContact CG2-CD1 3.77Å; V262-Y316 HydrophobicContact CG2-CE1 4.47Å; V262-Y316 HydrophobicContact CG2-CG 4.05Å; L312-Y316 HydrophobicContact CD2-CD2 3.69Å; L312-Y316 HydrophobicContact CD2-CE2 4.08Å; L312-Y316 CarbonylContact O-C 3.51Å; L312-Y316 WeakPolarHBondContact O-CA 3.22Å; L312-Y316 WeakPolarHBondContact O-CB 3.36Å; L312-Y316 PolarHBondContact O-N 2.79Å; Y316-V318 PolarHBondContact O-N 3.35Å |
| 317 | G | 88.6 | Confident | 87.4 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 54% | 0.536 | 35% | 0.353 | S | S | . | . | trans | 64.1 | 20.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | N260 L312 N313 S319 | N260-G317 PolarHBondContact ND2-O 3.38Å; L312-G317 PolarHBondContact O-N 3.13Å; N313-G317 VanDerWaalsContact O-CA 3.28Å; N313-G317 WeakPolarHBondContact O-CA 3.28Å; N313-G317 PolarHBondContact O-N 3.19Å; N313-G317 VanDerWaalsContact O-N 3.12Å; G317-S319 PolarHBondContact O-N 3.27Å | ||
| 318 | V | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -69.1 | 126.3 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | V262 I266 L312 N313 Y316 I320 P439 | V262-V318 HydrophobicContact CB-CG2 4.4Å; V262-V318 HydrophobicContact CG1-CG2 3.97Å; I266-V318 HydrophobicContact CD1-CG2 4.36Å; L312-V318 HydrophobicContact CB-CB 4Å; L312-V318 HydrophobicContact CB-CG2 4.06Å; L312-V318 PolarHBondContact O-N 3.29Å; N313-V318 WeakPolarHBondContact CA-O 3.46Å; N313-V318 WeakPolarHBondContact CB-O 3.48Å; N313-V318 PolarHBondContact ND2-O 3.29Å; Y316-V318 PolarHBondContact O-N 3.35Å; V318-I320 PolarHBondContact O-N 3.1Å; V318-P439 HydrophobicContact CG1-CB 4.04Å | ||
| 319 | S | 89.7 | Confident | 87.1 | Confident | 40 Ų | 40 | 67 Ų | 67 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | trans | -68.3 | 125.4 | 179.5 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | G317 K440 | G317-S319 PolarHBondContact O-N 3.27Å; S319-K440 PolarHBondContact O-N 3Å | ||
| 320 | I | 91.8 | Very high | 87 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 23% | 0.226 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -111.1 | 162.6 | 177.7 | 58.1 | 170.7 | 0 | 0 | 0 | 110.9 | N313 V318 G322 V438 K440 | N313-I320 HydrophobicContact CB-CD1 3.9Å; N313-I320 HydrophobicContact CB-CG1 4.08Å; N313-I320 HydrophobicContact CB-CG2 3.98Å; V318-I320 PolarHBondContact O-N 3.1Å; I320-G322 VanDerWaalsContact C-N 3.33Å; I320-G322 PolarHBondContact O-N 3.42Å; I320-V438 WeakPolarHBondContact CA-O 3.46Å; I320-K440 VanDerWaalsContact O-CE 3.25Å; I320-K440 WeakPolarHBondContact O-CE 3.21Å |
| 321 | V | 86.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | -60.9 | -40.5 | 179.4 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | P109 I324 V438 L443 | P109-V321 HydrophobicContact CG-CB 4.36Å; P109-V321 HydrophobicContact CG-CG1 3.65Å; P109-V321 HydrophobicContact CG-CG2 3.7Å; V321-I324 HydrophobicContact CG1-CD1 3.68Å; V321-I324 HydrophobicContact CG1-CG1 3.85Å; V321-V438 HydrophobicContact CG2-CB 3.91Å; V321-V438 HydrophobicContact CG2-CG1 4.16Å; V321-V438 WeakPolarHBondContact CG2-O 3.41Å; V321-V438 PolarHBondContact N-O 3.34Å; V321-L443 HydrophobicContact CG2-CD1 3.99Å | ||
| 322 | G | 84.7 | Confident | 87.2 | Confident | 25 Ų | 25 | 63 Ų | 63 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | trans | 86 | -152.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I320 I324 R436 | I320-G322 VanDerWaalsContact C-N 3.33Å; I320-G322 PolarHBondContact O-N 3.42Å; G322-I324 PolarHBondContact O-N 3.28Å; G322-R436 PolarHBondContact N-O 3.39Å; G322-R436 VanDerWaalsContact N-O 3.1Å; G322-R436 VanDerWaalsContact O-CA 3.24Å; G322-R436 WeakPolarHBondContact O-CA 3.28Å; G322-R436 VanDerWaalsContact O-CB 3.31Å; G322-R436 WeakPolarHBondContact O-CB 3.48Å; G322-R436 WeakPolarHBondContact O-CG 3.5Å | ||
| 323 | E | 78.9 | Confident | 87.4 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | trans | -65.8 | 121.4 | -174.7 | -68.9 | -175 | 162 | 0 | 0 | 112.4 | ||||
| 324 | I | 77.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | trans | -115.6 | 128 | 175.7 | -61.4 | 170.1 | 0 | 0 | 0 | 108.3 | I110 V321 G322 V326 L435 R436 | I110-I324 HydrophobicContact CB-CG2 3.64Å; I110-I324 HydrophobicContact CD1-CG2 3.93Å; I110-I324 HydrophobicContact CG1-CG2 3.69Å; I110-I324 HydrophobicContact CG2-CG2 4.07Å; V321-I324 HydrophobicContact CG1-CD1 3.68Å; V321-I324 HydrophobicContact CG1-CG1 3.85Å; G322-I324 PolarHBondContact O-N 3.28Å; I324-V326 PolarHBondContact O-N 3.47Å; I324-L435 VanDerWaalsContact CD1-C 3.49Å; I324-L435 HydrophobicContact CD1-CB 3.58Å; I324-R436 HydrophobicContact CB-CG 4.21Å; I324-R436 HydrophobicContact CD1-CG 4.46Å; I324-R436 HydrophobicContact CG1-CG 4.37Å; I324-R436 PolarHBondContact O-NE 2.97Å; I324-R436 PolarHBondContact O-NH2 3.33Å | ||
| 325 | P | 76.7 | Confident | 87.7 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | trans | -64.5 | 128 | 168.9 | 28.3 | -33.4 | 0 | 0 | 0 | 109.2 | ||||
| 326 | V | 77.6 | Confident | 87.8 | Confident | 68 Ų | 68 | 59 Ų | 59 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | trans | -91.7 | 137.6 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | I324 T429 | I324-V326 PolarHBondContact O-N 3.47Å; V326-T429 WeakPolarHBondContact CG1-O 3.42Å | ||
| 327 | G | 85.7 | Confident | 87.8 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 103 | -175.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y114 I428 | Y114-G327 PolarHBondContact OH-O 3.49Å; G327-I428 PolarHBondContact N-O 3.03Å; G327-I428 WeakPolarHBondContact O-CG2 3.29Å |
| 328 | L | 88.9 | Confident | 88 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 138.2 | -179.9 | -72.5 | 173 | 0 | 0 | 0 | 110.7 | F117 F118 L425 | F117-L328 HydrophobicContact CE1-CD2 4.03Å; F118-L328 HydrophobicContact CE2-CD2 4.41Å; F118-L328 HydrophobicContact CZ-CD2 4.01Å; L328-L425 HydrophobicContact CD1-CD1 4.09Å; L328-L425 HydrophobicContact CD2-CD1 3.79Å; L328-L425 HydrophobicContact CG-CD1 4.03Å |
| 329 | P | 90.5 | Very high | 88.1 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 143.7 | -178.4 | 30.4 | -32.4 | 0 | 0 | 0 | 110.8 | Y114 F118 F391 R392 | Y114-P329 HydrophobicContact CD1-CG 4.12Å; Y114-P329 HydrophobicContact CD2-CB 4.23Å; Y114-P329 HydrophobicContact CD2-CG 3.92Å; Y114-P329 HydrophobicContact CE1-CG 4.07Å; Y114-P329 HydrophobicContact CE2-CB 3.8Å; Y114-P329 HydrophobicContact CE2-CG 3.89Å; Y114-P329 HydrophobicContact CG-CG 4.05Å; F118-P329 HydrophobicContact CE2-CG 3.82Å; F118-P329 HydrophobicContact CZ-CG 4.27Å; P329-F391 HydrophobicContact CG-CB 4.1Å; P329-F391 VanDerWaalsContact CG-O 3.28Å; P329-F391 WeakPolarHBondContact CG-O 3.43Å; P329-R392 HydrophobicContact CB-CB 4.32Å; P329-R392 HydrophobicContact CB-CG 3.99Å |
| 330 | S | 90.8 | Very high | 88.3 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 144.6 | 166.2 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | M332 R392 | S330-M332 PolarHBondContact O-N 2.76Å; S330-R392 PolarHBondContact OG-NH2 3.05Å |
| 331 | P | 93.5 | Very high | 88.2 | Confident | 93 Ų | 93 | 64 Ų | 64 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 138.1 | 170.7 | -25.5 | 34.3 | 0 | 0 | 0 | 111.6 | F390 F391 | P331-F390 CarbonylContact C-O 3.57Å; P331-F390 WeakPolarHBondContact CA-O 3.32Å; P331-F391 HydrophobicContact CG-CD1 4.5Å; P331-F391 HydrophobicContact CG-CE1 4Å |
| 332 | M | 91.9 | Very high | 88.6 | Confident | 46 Ų | 46 | 63 Ų | 63 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | trans | -130.3 | 131.3 | 178.4 | -179 | 169.7 | 171.3 | 0 | 0 | 109.3 | T179 I182 S330 F390 R392 | T179-M332 HydrophobicContact CG2-CE 4.19Å; T179-M332 WeakPolarHBondContact OG1-CE 3.29Å; I182-M332 HydrophobicContact CD1-CB 4.1Å; I182-M332 HydrophobicContact CD1-CE 4.18Å; I182-M332 HydrophobicContact CD1-CG 3.92Å; I182-M332 HydrophobicContact CD1-SD 3.48Å; I182-M332 WeakPolarHBondContact CD1-SD 3.15Å; S330-M332 PolarHBondContact O-N 2.76Å; M332-F390 PolarHBondContact N-O 3.48Å; M332-R392 HydrophobicContact CB-CG 4.35Å | ||
| 333 | L | 92.7 | Very high | 89.1 | Confident | 136 Ų | 136 | 65.3 Ų | 65.3 | 71% | 0.712 | 36% | 0.36 | S | S | * | . | trans | -80.8 | 144.4 | 178.5 | -66.5 | 172.5 | 0 | 0 | 0 | 110.6 | F390 | L333-F390 HydrophobicContact CD2-CD1 4.26Å; L333-F390 HydrophobicContact CD2-CE1 3.88Å | ||
| 334 | P | 91.3 | Very high | 89.6 | Confident | 34 Ų | 34 | 63 Ų | 63 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | trans | -69.1 | 146.7 | 172 | 29.6 | -32.9 | 0 | 0 | 0 | 110.6 | I182 T183 I186 I336 | I182-P334 HydrophobicContact CG2-CB 4.43Å; T183-P334 HydrophobicContact CG2-CB 4.5Å; I186-P334 HydrophobicContact CD1-CB 4.01Å; I186-P334 HydrophobicContact CD1-CG 3.68Å; I186-P334 HydrophobicContact CG2-CG 4.46Å; P334-I336 PolarHBondContact O-N 3.03Å | ||
| 335 | D | 90.2 | Very high | 90.3 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 17% | 0.166 | 35% | 0.351 | C | S | . | . | trans | -81.6 | 111.4 | 171.9 | -170.4 | -14.2 | 0 | 0 | 0 | 109.8 | T179 T183 R337 L338 | T179-D335 HydrophobicContact CG2-CB 3.71Å; T183-D335 PolarHBondContact OG1-N 3.14Å; D335-R337 PolarHBondContact O-N 3.41Å; D335-R337 VanDerWaalsContact OD1-CB 3.25Å; D335-R337 WeakPolarHBondContact OD1-CB 3.49Å; D335-R337 WeakPolarHBondContact OD1-CG 3.48Å; D335-R337 IonicContact OD1-CZ 3.62Å; D335-R337 PolarHBondContact OD1-N 3.17Å; D335-R337 IonicContact OD1-NE 3.63Å; D335-R337 PolarHBondContact OD1-NE 3.49Å; D335-R337 IonicContact OD1-NH2 2.55Å; D335-R337 IonicContact OD2-CZ 3.64Å; D335-R337 VanDerWaalsContact OD2-CZ 3.32Å; D335-R337 IonicContact OD2-NE 3.69Å; D335-R337 PolarHBondContact OD2-NE 3.08Å; D335-R337 VanDerWaalsContact OD2-NE 3.08Å; D335-R337 IonicContact OD2-NH2 3.9Å; D335-R337 PolarHBondContact OD2-NH2 2.91Å; D335-L338 HydrophobicContact CB-CD1 4.01Å; D335-L338 HydrophobicContact CB-CG 4.23Å; D335-L338 WeakPolarHBondContact O-CB 3.44Å; D335-L338 PolarHBondContact O-N 3.32Å | ||
| 336 | I | 92.8 | Very high | 91.2 | Very high | 137 Ų | 137 | 60 Ų | 60 | 70% | 0.703 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -60.6 | -28.2 | -179.2 | -59.3 | 171.1 | 0 | 0 | 0 | 111.1 | P334 L338 V339 | P334-I336 PolarHBondContact O-N 3.03Å; I336-L338 PolarHBondContact O-N 3.04Å; I336-V339 WeakPolarHBondContact O-CB 3.37Å; I336-V339 WeakPolarHBondContact O-CG2 3.19Å; I336-V339 PolarHBondContact O-N 3.36Å; I336-V339 VanDerWaalsContact O-N 3.1Å |
| 337 | R | 91.4 | Very high | 92 | Very high | 110 Ų | 110 | 58.8 Ų | 58.8 | 42% | 0.415 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -65.8 | -18.3 | 178.5 | -58.7 | 175.4 | -66.2 | 176.9 | 0.2 | 113.1 | K164 Y165 D335 | K164-R337 PolarHBondContact O-NH1 3.38Å; Y165-R337 HydrophobicContact CD1-CB 4.36Å; Y165-R337 HydrophobicContact CE1-CB 3.81Å; Y165-R337 PolarHBondContact OH-O 3.12Å; D335-R337 PolarHBondContact O-N 3.41Å; D335-R337 VanDerWaalsContact OD1-CB 3.25Å; D335-R337 WeakPolarHBondContact OD1-CB 3.49Å; D335-R337 WeakPolarHBondContact OD1-CG 3.48Å; D335-R337 IonicContact OD1-CZ 3.62Å; D335-R337 PolarHBondContact OD1-N 3.17Å; D335-R337 IonicContact OD1-NE 3.63Å; D335-R337 PolarHBondContact OD1-NE 3.49Å; D335-R337 IonicContact OD1-NH2 2.55Å; D335-R337 IonicContact OD2-CZ 3.64Å; D335-R337 VanDerWaalsContact OD2-CZ 3.32Å; D335-R337 IonicContact OD2-NE 3.69Å; D335-R337 PolarHBondContact OD2-NE 3.08Å; D335-R337 VanDerWaalsContact OD2-NE 3.08Å; D335-R337 IonicContact OD2-NH2 3.9Å; D335-R337 PolarHBondContact OD2-NH2 2.91Å |
| 338 | L | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -88.2 | -17.4 | 176.8 | -67.5 | 172.5 | 0 | 0 | 0 | 112.8 | L151 Y165 F176 T179 V180 T183 D335 I336 E341 V342 | L151-L338 HydrophobicContact CD1-CD2 4.1Å; Y165-L338 HydrophobicContact CD1-CD2 3.98Å; Y165-L338 HydrophobicContact CD1-CG 4.34Å; Y165-L338 HydrophobicContact CE1-CD2 3.43Å; Y165-L338 VanDerWaalsContact CE1-CD2 3.43Å; Y165-L338 HydrophobicContact CE1-CG 3.91Å; Y165-L338 HydrophobicContact CE2-CD2 4.38Å; F176-L338 HydrophobicContact CE2-CD1 4.38Å; F176-L338 HydrophobicContact CE2-CD2 4.03Å; F176-L338 HydrophobicContact CZ-CD2 4.07Å; T179-L338 HydrophobicContact CG2-CD1 3.98Å; V180-L338 HydrophobicContact CG2-CD1 3.85Å; V180-L338 HydrophobicContact CG2-CD2 4.42Å; T183-L338 HydrophobicContact CG2-CB 4.15Å; D335-L338 HydrophobicContact CB-CD1 4.01Å; D335-L338 HydrophobicContact CB-CG 4.23Å; D335-L338 WeakPolarHBondContact O-CB 3.44Å; D335-L338 PolarHBondContact O-N 3.32Å; I336-L338 PolarHBondContact O-N 3.04Å; L338-E341 WeakPolarHBondContact O-CB 3.38Å; L338-E341 PolarHBondContact O-N 3.15Å; L338-V342 WeakPolarHBondContact O-CG2 3.37Å; L338-V342 PolarHBondContact O-N 2.89Å |
| 339 | V | 94.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.4 | -47.5 | -174 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | T183 L187 I336 E341 V342 L343 | T183-V339 HydrophobicContact CG2-CG2 4.05Å; L187-V339 HydrophobicContact CD2-CG1 4.15Å; I336-V339 WeakPolarHBondContact O-CB 3.37Å; I336-V339 WeakPolarHBondContact O-CG2 3.19Å; I336-V339 PolarHBondContact O-N 3.36Å; I336-V339 VanDerWaalsContact O-N 3.1Å; V339-E341 PolarHBondContact O-N 3.44Å; V339-V342 PolarHBondContact O-N 3.4Å; V339-L343 WeakPolarHBondContact O-CB 3.35Å; V339-L343 PolarHBondContact O-N 3.04Å; V339-L343 VanDerWaalsContact O-N 3.11Å |
| 340 | P | 93.7 | Very high | 92.6 | Very high | 99 Ų | 99 | 53.7 Ų | 53.7 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.8 | -31.4 | 178.7 | -21.9 | 34.6 | 0 | 0 | 0 | 113.4 | ||
| 341 | E | 90.7 | Very high | 92.6 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -81.2 | -19.4 | -173.8 | -54.9 | -69 | 176.3 | 0 | 0 | 113.3 | R150 L151 K164 L338 V339 | R150-E341 PolarHBondContact NH2-O 3.33Å; L151-E341 HydrophobicContact CD2-CB 4.24Å; K164-E341 IonicContact NZ-OE1 3.74Å; K164-E341 PolarHBondContact NZ-OE1 2.95Å; L338-E341 WeakPolarHBondContact O-CB 3.38Å; L338-E341 PolarHBondContact O-N 3.15Å; V339-E341 PolarHBondContact O-N 3.44Å |
| 342 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -120.5 | 3.7 | -176.6 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | P147 L151 V180 T183 V184 L187 L338 V339 M344 E345 S346 | P147-V342 HydrophobicContact CB-CB 4.45Å; P147-V342 HydrophobicContact CB-CG1 3.96Å; L151-V342 HydrophobicContact CD1-CG1 3.85Å; V180-V342 HydrophobicContact CG1-CG1 4.24Å; T183-V342 HydrophobicContact CG2-CG2 3.9Å; V184-V342 HydrophobicContact CG2-CB 3.86Å; V184-V342 HydrophobicContact CG2-CG1 4.25Å; V184-V342 HydrophobicContact CG2-CG2 3.99Å; L187-V342 HydrophobicContact CD2-CG2 4.21Å; L338-V342 WeakPolarHBondContact O-CG2 3.37Å; L338-V342 PolarHBondContact O-N 2.89Å; V339-V342 PolarHBondContact O-N 3.4Å; V342-M344 PolarHBondContact O-N 3.46Å; V342-E345 WeakPolarHBondContact CA-OE2 3.46Å; V342-E345 PolarHBondContact O-N 3.17Å; V342-S346 WeakPolarHBondContact O-CB 3.49Å; V342-S346 PolarHBondContact O-N 3.21Å; V342-S346 PolarHBondContact O-OG 2.89Å |
| 343 | L | 94 | Very high | 92.5 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.6 | -47.3 | -173.4 | -172.3 | 67.2 | 0 | 0 | 0 | 112 | L187 F191 V339 S346 V347 | L187-L343 HydrophobicContact CD1-CD1 4.22Å; L187-L343 HydrophobicContact CD2-CD1 3.84Å; L187-L343 HydrophobicContact CG-CD1 4.41Å; F191-L343 HydrophobicContact CE2-CD1 3.72Å; F191-L343 HydrophobicContact CZ-CD1 3.58Å; F191-L343 HydrophobicContact CZ-CG 4.38Å; V339-L343 WeakPolarHBondContact O-CB 3.35Å; V339-L343 PolarHBondContact O-N 3.04Å; V339-L343 VanDerWaalsContact O-N 3.11Å; L343-S346 PolarHBondContact O-N 3.32Å; L343-V347 WeakPolarHBondContact O-CG2 3.41Å; L343-V347 PolarHBondContact O-N 3.26Å; L343-V347 VanDerWaalsContact O-N 3.11Å |
| 344 | M | 91 | Very high | 92.5 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 49% | 0.493 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -44.1 | -177.1 | -174.5 | -179.3 | 65.8 | 0 | 0 | 111.2 | V342 V347 I348 P488 | V342-M344 PolarHBondContact O-N 3.46Å; M344-V347 PolarHBondContact O-N 3.21Å; M344-I348 HydrophobicContact CG-CD1 4.12Å; M344-I348 WeakPolarHBondContact O-CD1 3.38Å; M344-I348 WeakPolarHBondContact O-CG1 3.32Å; M344-I348 PolarHBondContact O-N 2.74Å; M344-I348 VanDerWaalsContact O-N 3.08Å; M344-P488 HydrophobicContact CE-CB 3.79Å; M344-P488 HydrophobicContact CE-CG 4.47Å |
| 345 | E | 91.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.2 | -64.5 | 73.5 | -166.7 | 0 | 0 | 110.9 | P147 R150 V342 V347 I348 V349 P488 | P147-E345 HydrophobicContact CB-CB 4.44Å; P147-E345 HydrophobicContact CB-CG 4.17Å; P147-E345 HydrophobicContact CG-CB 4.06Å; P147-E345 HydrophobicContact CG-CG 4.15Å; R150-E345 IonicContact CZ-OE1 3.46Å; R150-E345 IonicContact NH1-OE1 3.67Å; R150-E345 PolarHBondContact NH1-OE1 3.27Å; R150-E345 IonicContact NH2-OE1 2.66Å; R150-E345 PolarHBondContact NH2-OE1 3.01Å; R150-E345 IonicContact NH2-OE2 3.15Å; R150-E345 PolarHBondContact NH2-OE2 3.12Å; V342-E345 WeakPolarHBondContact CA-OE2 3.46Å; V342-E345 PolarHBondContact O-N 3.17Å; E345-V347 VanDerWaalsContact C-N 3.31Å; E345-V347 PolarHBondContact O-N 3.15Å; E345-I348 WeakPolarHBondContact O-CB 3.36Å; E345-I348 PolarHBondContact O-N 3.29Å; E345-V349 WeakPolarHBondContact O-CB 3.48Å; E345-V349 WeakPolarHBondContact O-CG2 3.41Å; E345-V349 PolarHBondContact O-N 3.39Å; E345-P488 HydrophobicContact CG-CG 4.41Å |
| 346 | S | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | 175.7 | -74 | 0 | 0 | 0 | 0 | 113.3 | V184 T188 V342 L343 S350 | V184-S346 WeakPolarHBondContact CA-OG 3.21Å; V184-S346 PolarHBondContact O-OG 2.71Å; T188-S346 PolarHBondContact OG1-O 3.38Å; V342-S346 WeakPolarHBondContact O-CB 3.49Å; V342-S346 PolarHBondContact O-N 3.21Å; V342-S346 PolarHBondContact O-OG 2.89Å; L343-S346 PolarHBondContact O-N 3.32Å; S346-S350 WeakPolarHBondContact O-CB 3.4Å; S346-S350 PolarHBondContact O-N 2.57Å |
| 347 | V | 92.5 | Very high | 92.3 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 26% | 0.261 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 173 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | F191 L343 M344 E345 S350 F351 | F191-V347 HydrophobicContact CD1-CG2 4.23Å; F191-V347 HydrophobicContact CD2-CG2 3.9Å; F191-V347 HydrophobicContact CE1-CG2 3.83Å; F191-V347 HydrophobicContact CE2-CG2 3.45Å; F191-V347 VanDerWaalsContact CE2-CG2 3.45Å; F191-V347 HydrophobicContact CG-CG2 4.27Å; F191-V347 HydrophobicContact CZ-CG2 3.41Å; F191-V347 VanDerWaalsContact CZ-CG2 3.41Å; L343-V347 WeakPolarHBondContact O-CG2 3.41Å; L343-V347 PolarHBondContact O-N 3.26Å; L343-V347 VanDerWaalsContact O-N 3.11Å; M344-V347 PolarHBondContact O-N 3.21Å; E345-V347 VanDerWaalsContact C-N 3.31Å; E345-V347 PolarHBondContact O-N 3.15Å; V347-S350 WeakPolarHBondContact O-CB 3.37Å; V347-S350 PolarHBondContact O-N 3.46Å; V347-F351 HydrophobicContact CG1-CD2 3.7Å; V347-F351 HydrophobicContact CG1-CE2 3.69Å; V347-F351 VanDerWaalsContact O-CD2 3.3Å; V347-F351 WeakPolarHBondContact O-CD2 3.46Å; V347-F351 PolarHBondContact O-N 2.84Å |
| 348 | I | 90.5 | Very high | 92.3 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.097 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 178.6 | -71.5 | 162.2 | 0 | 0 | 0 | 111.1 | L143 M344 E345 S350 F351 V352 P488 L491 | L143-I348 HydrophobicContact CD1-CG2 4.19Å; L143-I348 HydrophobicContact CD2-CG2 4.4Å; M344-I348 HydrophobicContact CG-CD1 4.12Å; M344-I348 WeakPolarHBondContact O-CD1 3.38Å; M344-I348 WeakPolarHBondContact O-CG1 3.32Å; M344-I348 PolarHBondContact O-N 2.74Å; M344-I348 VanDerWaalsContact O-N 3.08Å; E345-I348 WeakPolarHBondContact O-CB 3.36Å; E345-I348 PolarHBondContact O-N 3.29Å; I348-S350 VanDerWaalsContact C-N 3.25Å; I348-S350 PolarHBondContact O-N 3.01Å; I348-F351 PolarHBondContact O-N 2.85Å; I348-V352 WeakPolarHBondContact O-CG2 3.31Å; I348-V352 PolarHBondContact O-N 3.27Å; I348-P488 HydrophobicContact CD1-CB 3.52Å; I348-P488 HydrophobicContact CD1-CG 4.5Å; I348-L491 HydrophobicContact CB-CD2 4.19Å; I348-L491 HydrophobicContact CG1-CD2 4.15Å; I348-L491 HydrophobicContact CG2-CD2 3.48Å; I348-L491 VanDerWaalsContact CG2-CD2 3.48Å |
| 349 | V | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -39.8 | 177 | 179 | 0 | 0 | 0 | 0 | 110.6 | V140 L143 V184 T188 E345 S353 P395 | V140-V349 HydrophobicContact CG1-CG1 3.93Å; L143-V349 HydrophobicContact CB-CG2 3.52Å; L143-V349 HydrophobicContact CD1-CG2 4.41Å; V184-V349 HydrophobicContact CG1-CG2 4.34Å; T188-V349 HydrophobicContact CG2-CG1 4.13Å; E345-V349 WeakPolarHBondContact O-CB 3.48Å; E345-V349 WeakPolarHBondContact O-CG2 3.41Å; E345-V349 PolarHBondContact O-N 3.39Å; V349-S353 WeakPolarHBondContact O-CB 3.43Å; V349-S353 PolarHBondContact O-N 3.33Å; V349-P395 HydrophobicContact CG1-CB 3.67Å; V349-P395 HydrophobicContact CG1-CG 3.87Å |
| 350 | S | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -52.6 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | Q192 S346 V347 I348 S353 L354 | Q192-S350 WeakPolarHBondContact CG-OG 3.48Å; Q192-S350 PolarHBondContact NE2-O 3.49Å; S346-S350 WeakPolarHBondContact O-CB 3.4Å; S346-S350 PolarHBondContact O-N 2.57Å; V347-S350 WeakPolarHBondContact O-CB 3.37Å; V347-S350 PolarHBondContact O-N 3.46Å; I348-S350 VanDerWaalsContact C-N 3.25Å; I348-S350 PolarHBondContact O-N 3.01Å; S350-S353 PolarHBondContact O-N 3.01Å; S350-L354 WeakPolarHBondContact O-CB 3.41Å; S350-L354 WeakPolarHBondContact O-CG 3.39Å; S350-L354 PolarHBondContact O-N 3.42Å |
| 351 | F | 90.3 | Very high | 91.8 | Very high | 52 Ų | 52 | 22.7 Ų | 22.7 | 23% | 0.228 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | -179.8 | -89.1 | -64.4 | 0 | 0 | 0 | 112.6 | L195 L203 I207 V347 I348 L354 A355 | L195-F351 HydrophobicContact CD1-CE1 4.29Å; L195-F351 HydrophobicContact CD1-CZ 4.36Å; L203-F351 HydrophobicContact CB-CE1 4.14Å; I207-F351 HydrophobicContact CD1-CB 3.62Å; I207-F351 HydrophobicContact CD1-CD1 3.74Å; I207-F351 HydrophobicContact CD1-CG 3.99Å; V347-F351 HydrophobicContact CG1-CD2 3.7Å; V347-F351 HydrophobicContact CG1-CE2 3.69Å; V347-F351 VanDerWaalsContact O-CD2 3.3Å; V347-F351 WeakPolarHBondContact O-CD2 3.46Å; V347-F351 PolarHBondContact O-N 2.84Å; I348-F351 PolarHBondContact O-N 2.85Å; F351-L354 PolarHBondContact O-N 2.98Å; F351-A355 VanDerWaalsContact O-CB 3.28Å; F351-A355 WeakPolarHBondContact O-CB 3.31Å; F351-A355 PolarHBondContact O-N 3.36Å |
| 352 | V | 89.8 | Confident | 91.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V139 L143 L212 F215 I348 T356 L491 | V139-V352 HydrophobicContact CG1-CG1 3.72Å; L143-V352 HydrophobicContact CD1-CB 3.83Å; L143-V352 HydrophobicContact CD1-CG1 3.85Å; L143-V352 HydrophobicContact CD1-CG2 3.92Å; L212-V352 HydrophobicContact CD1-CG1 4.08Å; F215-V352 HydrophobicContact CD1-CG2 4.41Å; F215-V352 HydrophobicContact CE1-CG2 3.92Å; I348-V352 WeakPolarHBondContact O-CG2 3.31Å; I348-V352 PolarHBondContact O-N 3.27Å; V352-T356 WeakPolarHBondContact O-CB 3.33Å; V352-T356 PolarHBondContact O-N 3.06Å; V352-T356 PolarHBondContact O-OG1 2.81Å; V352-L491 HydrophobicContact CG2-CD2 3.79Å |
| 353 | S | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.3 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | V349 S350 T357 L381 S396 S397 | V349-S353 WeakPolarHBondContact O-CB 3.43Å; V349-S353 PolarHBondContact O-N 3.33Å; S350-S353 PolarHBondContact O-N 3.01Å; S353-T357 WeakPolarHBondContact O-CB 3.47Å; S353-T357 PolarHBondContact O-N 3.03Å; S353-T357 VanDerWaalsContact O-N 3.1Å; S353-T357 PolarHBondContact O-OG1 3.26Å; S353-L381 WeakPolarHBondContact OG-CD2 3.44Å; S353-S396 PolarHBondContact OG-O 2.9Å; S353-S397 WeakPolarHBondContact CA-OG 3.44Å; S353-S397 PolarHBondContact O-OG 2.83Å; S353-S397 VanDerWaalsContact OG-CB 3.28Å; S353-S397 WeakPolarHBondContact OG-CB 3.35Å; S353-S397 PolarHBondContact OG-OG 2.87Å |
| 354 | L | 92.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.8 | -49.6 | 175.7 | -79.9 | 174.5 | 0 | 0 | 0 | 112.3 | Q192 L195 V204 S350 F351 T356 T357 I358 L378 L381 | Q192-L354 HydrophobicContact CB-CD1 4.27Å; Q192-L354 HydrophobicContact CB-CD2 4.46Å; Q192-L354 HydrophobicContact CB-CG 4.5Å; Q192-L354 HydrophobicContact CG-CD1 3.75Å; Q192-L354 HydrophobicContact CG-CD2 4.17Å; Q192-L354 HydrophobicContact CG-CG 3.78Å; L195-L354 HydrophobicContact CD1-CD1 3.84Å; V204-L354 HydrophobicContact CG1-CB 4.43Å; V204-L354 HydrophobicContact CG2-CB 4.09Å; V204-L354 HydrophobicContact CG2-CD1 4.18Å; S350-L354 WeakPolarHBondContact O-CB 3.41Å; S350-L354 WeakPolarHBondContact O-CG 3.39Å; S350-L354 PolarHBondContact O-N 3.42Å; F351-L354 PolarHBondContact O-N 2.98Å; L354-T356 VanDerWaalsContact C-N 3.33Å; L354-T356 PolarHBondContact O-N 3.08Å; L354-T357 PolarHBondContact O-N 3.41Å; L354-I358 WeakPolarHBondContact O-CB 3.49Å; L354-I358 WeakPolarHBondContact O-CG1 3.11Å; L354-I358 PolarHBondContact O-N 3.49Å; L354-L378 HydrophobicContact CD1-CG 4.33Å; L354-L378 HydrophobicContact CD2-CB 4.37Å; L354-L378 HydrophobicContact CD2-CG 3.93Å; L354-L381 HydrophobicContact CD2-CB 4.44Å; L354-L381 HydrophobicContact CD2-CD2 3.81Å; L354-L381 HydrophobicContact CG-CD2 4.33Å |
| 355 | A | 89.6 | Confident | 91.4 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | V204 I207 L212 F351 T357 I358 S359 | V204-A355 VanDerWaalsContact CG1-CA 3.48Å; V204-A355 HydrophobicContact CG1-CB 3.92Å; I207-A355 HydrophobicContact CB-CB 4.34Å; I207-A355 HydrophobicContact CD1-CB 4.26Å; I207-A355 HydrophobicContact CG2-CB 4.15Å; L212-A355 HydrophobicContact CD2-CB 4.46Å; F351-A355 VanDerWaalsContact O-CB 3.28Å; F351-A355 WeakPolarHBondContact O-CB 3.31Å; F351-A355 PolarHBondContact O-N 3.36Å; A355-T357 PolarHBondContact O-N 3.21Å; A355-I358 PolarHBondContact O-N 3.45Å; A355-S359 WeakPolarHBondContact O-CB 3.45Å; A355-S359 PolarHBondContact O-N 2.72Å; A355-S359 PolarHBondContact O-OG 3.24Å |
| 356 | T | 88 | Confident | 91.4 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 12% | 0.117 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 178.3 | -51 | 0 | 0 | 0 | 0 | 111.4 | F137 V352 L354 S359 L360 G398 | F137-T356 HydrophobicContact CD1-CG2 4.39Å; F137-T356 HydrophobicContact CE1-CG2 3.69Å; F137-T356 HydrophobicContact CZ-CG2 3.91Å; V352-T356 WeakPolarHBondContact O-CB 3.33Å; V352-T356 PolarHBondContact O-N 3.06Å; V352-T356 PolarHBondContact O-OG1 2.81Å; L354-T356 VanDerWaalsContact C-N 3.33Å; L354-T356 PolarHBondContact O-N 3.08Å; T356-S359 PolarHBondContact O-N 3.2Å; T356-L360 HydrophobicContact CG2-CD1 4.39Å; T356-L360 WeakPolarHBondContact O-CG 3.45Å; T356-L360 PolarHBondContact O-N 2.8Å; T356-L360 VanDerWaalsContact O-N 3.15Å; T356-G398 WeakPolarHBondContact CG2-O 3.32Å |
| 357 | T | 93 | Very high | 91.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | -178.5 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | V132 I134 S353 L354 A355 S359 L360 V361 L381 S397 G398 | V132-T357 HydrophobicContact CG2-CG2 4.42Å; I134-T357 HydrophobicContact CD1-CG2 3.85Å; S353-T357 WeakPolarHBondContact O-CB 3.47Å; S353-T357 PolarHBondContact O-N 3.03Å; S353-T357 VanDerWaalsContact O-N 3.1Å; S353-T357 PolarHBondContact O-OG1 3.26Å; L354-T357 PolarHBondContact O-N 3.41Å; A355-T357 PolarHBondContact O-N 3.21Å; T357-S359 PolarHBondContact O-N 2.71Å; T357-L360 PolarHBondContact O-N 2.89Å; T357-V361 HydrophobicContact CG2-CG2 4.21Å; T357-V361 WeakPolarHBondContact O-CB 3.28Å; T357-V361 WeakPolarHBondContact O-CG2 3.45Å; T357-V361 PolarHBondContact O-N 3.38Å; T357-L381 HydrophobicContact CG2-CD2 4.23Å; T357-L381 WeakPolarHBondContact OG1-CD2 3.47Å; T357-S397 PolarHBondContact OG1-OG 3.24Å; T357-S397 VanDerWaalsContact OG1-OG 3.09Å; T357-G398 PolarHBondContact OG1-N 3.48Å |
| 358 | I | 90.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -179.9 | -69.2 | 179.8 | 0 | 0 | 0 | 111.3 | V204 L354 A355 L360 V361 K362 Y374 L378 | V204-I358 HydrophobicContact CB-CD1 4.19Å; V204-I358 HydrophobicContact CG1-CD1 3.99Å; V204-I358 HydrophobicContact CG2-CD1 4.14Å; L354-I358 WeakPolarHBondContact O-CB 3.49Å; L354-I358 WeakPolarHBondContact O-CG1 3.11Å; L354-I358 PolarHBondContact O-N 3.49Å; A355-I358 PolarHBondContact O-N 3.45Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 2.93Å; I358-V361 PolarHBondContact O-N 3.45Å; I358-K362 HydrophobicContact CG2-CD 4.05Å; I358-K362 HydrophobicContact CG2-CG 4.26Å; I358-K362 WeakPolarHBondContact O-CB 3.39Å; I358-K362 VanDerWaalsContact O-CG 3.29Å; I358-K362 WeakPolarHBondContact O-CG 3.4Å; I358-K362 PolarHBondContact O-N 3.43Å; I358-Y374 HydrophobicContact CG2-CD1 4.06Å; I358-Y374 HydrophobicContact CG2-CE1 4.27Å; I358-L378 HydrophobicContact CD1-CD1 3.62Å |
| 359 | S | 87.4 | Confident | 90.7 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.6 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | A355 T356 T357 K362 L363 | A355-S359 WeakPolarHBondContact O-CB 3.45Å; A355-S359 PolarHBondContact O-N 2.72Å; A355-S359 PolarHBondContact O-OG 3.24Å; T356-S359 PolarHBondContact O-N 3.2Å; T357-S359 PolarHBondContact O-N 2.71Å; S359-K362 PolarHBondContact O-N 3.35Å; S359-L363 WeakPolarHBondContact O-CB 3.33Å; S359-L363 PolarHBondContact O-N 3.36Å |
| 360 | L | 90.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 174.8 | -66.4 | 174.3 | 0 | 0 | 0 | 112 | V132 T356 T357 I358 K362 L363 Y364 G398 L400 | V132-L360 HydrophobicContact CG2-CB 4.19Å; V132-L360 HydrophobicContact CG2-CD1 4.42Å; T356-L360 HydrophobicContact CG2-CD1 4.39Å; T356-L360 WeakPolarHBondContact O-CG 3.45Å; T356-L360 PolarHBondContact O-N 2.8Å; T356-L360 VanDerWaalsContact O-N 3.15Å; T357-L360 PolarHBondContact O-N 2.89Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 2.93Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 3.39Å; L360-L363 PolarHBondContact O-N 2.9Å; L360-Y364 HydrophobicContact CD2-CE2 4.47Å; L360-Y364 WeakPolarHBondContact O-CD2 3.48Å; L360-Y364 PolarHBondContact O-N 3.34Å; L360-G398 VanDerWaalsContact CD1-C 3.43Å; L360-G398 WeakPolarHBondContact CD1-O 3.19Å; L360-L400 HydrophobicContact CD2-CB 3.78Å; L360-L400 HydrophobicContact CD2-CD1 3.44Å; L360-L400 VanDerWaalsContact CD2-CD1 3.44Å; L360-L400 HydrophobicContact CD2-CG 4.18Å |
| 361 | V | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | V132 T357 I358 A365 V372 E377 | V132-V361 HydrophobicContact CB-CG2 4.05Å; V132-V361 HydrophobicContact CG1-CG2 3.92Å; V132-V361 HydrophobicContact CG2-CG2 4.32Å; T357-V361 HydrophobicContact CG2-CG2 4.21Å; T357-V361 WeakPolarHBondContact O-CB 3.28Å; T357-V361 WeakPolarHBondContact O-CG2 3.45Å; T357-V361 PolarHBondContact O-N 3.38Å; I358-V361 PolarHBondContact O-N 3.45Å; V361-A365 WeakPolarHBondContact O-CB 3.36Å; V361-A365 PolarHBondContact O-N 2.95Å; V361-V372 HydrophobicContact CG1-CB 3.9Å; V361-V372 HydrophobicContact CG1-CG1 3.24Å; V361-V372 HydrophobicContact CG1-CG2 3.75Å; V361-E377 HydrophobicContact CG1-CG 4.26Å |
| 362 | K | 89.5 | Confident | 89.8 | Confident | 85 Ų | 85 | 45.5 Ų | 45.5 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 174.5 | -75.8 | -179.8 | 177 | 178.1 | 0 | 112.4 | I358 S359 L360 K366 Y374 | I358-K362 HydrophobicContact CG2-CD 4.05Å; I358-K362 HydrophobicContact CG2-CG 4.26Å; I358-K362 WeakPolarHBondContact O-CB 3.39Å; I358-K362 VanDerWaalsContact O-CG 3.29Å; I358-K362 WeakPolarHBondContact O-CG 3.4Å; I358-K362 PolarHBondContact O-N 3.43Å; S359-K362 PolarHBondContact O-N 3.35Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 3.39Å; K362-K366 WeakPolarHBondContact O-CB 3.43Å; K362-K366 PolarHBondContact O-N 3.34Å; K362-Y374 HydrophobicContact CD-CE1 4.11Å; K362-Y374 VanDerWaalsContact CE-CE1 3.44Å; K362-Y374 HydrophobicContact CG-CE1 3.5Å; K362-Y374 WeakPolarHBondContact CG-OH 3.46Å |
| 363 | L | 88.7 | Confident | 89.5 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.9 | -50.1 | -178 | 179.1 | 64.3 | 0 | 0 | 0 | 111.6 | S359 L360 K367 L400 | S359-L363 WeakPolarHBondContact O-CB 3.33Å; S359-L363 PolarHBondContact O-N 3.36Å; L360-L363 PolarHBondContact O-N 2.9Å; L363-K367 WeakPolarHBondContact O-CB 3.21Å; L363-K367 PolarHBondContact O-N 3.26Å; L363-L400 HydrophobicContact CD2-CD1 4.37Å |
| 364 | Y | 92.1 | Very high | 89.1 | Confident | 15 Ų | 15 | 52 Ų | 52 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -81.9 | -26.2 | -177 | -73 | -79.9 | 0 | 0 | 0 | 113.7 | H131 L360 K367 G368 Y370 L400 T403 S404 C407 | H131-Y364 HydrophobicContact CB-CD1 4.49Å; H131-Y364 HydrophobicContact CB-CG 4.25Å; L360-Y364 HydrophobicContact CD2-CE2 4.47Å; L360-Y364 WeakPolarHBondContact O-CD2 3.48Å; L360-Y364 PolarHBondContact O-N 3.34Å; Y364-K367 HydrophobicContact CD1-CD 4.5Å; Y364-K367 PolarHBondContact O-N 3.32Å; Y364-G368 PolarHBondContact O-N 3.1Å; Y364-Y370 WeakPolarHBondContact O-CE1 3.35Å; Y364-L400 HydrophobicContact CE2-CD1 4.45Å; Y364-T403 HydrophobicContact CD2-CG2 3.49Å; Y364-T403 VanDerWaalsContact CD2-CG2 3.49Å; Y364-T403 HydrophobicContact CE1-CG2 4.41Å; Y364-T403 HydrophobicContact CE2-CG2 3.3Å; Y364-T403 HydrophobicContact CG-CG2 4.16Å; Y364-S404 WeakPolarHBondContact OH-CA 3.27Å; Y364-S404 VanDerWaalsContact OH-CB 3.29Å; Y364-S404 WeakPolarHBondContact OH-CB 3.38Å; Y364-S404 PolarHBondContact OH-N 2.72Å; Y364-C407 HydrophobicContact CD1-CB 4.18Å; Y364-C407 WeakPolarHBondContact CD1-SG 3.33Å; Y364-C407 HydrophobicContact CE1-CB 3.65Å; Y364-C407 WeakPolarHBondContact CE1-SG 3.18Å |
| 365 | A | 91.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V361 G368 G369 Y370 V372 | V361-A365 WeakPolarHBondContact O-CB 3.36Å; V361-A365 PolarHBondContact O-N 2.95Å; A365-G368 CarbonylContact O-C 3.54Å; A365-G368 PolarHBondContact O-N 3.5Å; A365-G369 PolarHBondContact O-N 2.96Å; A365-Y370 VanDerWaalsContact CA-CZ 3.48Å; A365-Y370 HydrophobicContact CB-CD2 4.28Å; A365-Y370 HydrophobicContact CB-CE2 3.9Å; A365-Y370 WeakPolarHBondContact CB-O 3.07Å; A365-Y370 PolarHBondContact O-N 3.47Å; A365-Y370 VanDerWaalsContact O-N 3.13Å; A365-V372 HydrophobicContact CB-CG2 3.58Å |
| 366 | K | 90.9 | Very high | 88.9 | Confident | 190 Ų | 190 | 55.5 Ų | 55.5 | 83% | 0.826 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 175.1 | -173 | 177.5 | -179.8 | -179.3 | 0 | 111.7 | K362 G368 G369 | K362-K366 WeakPolarHBondContact O-CB 3.43Å; K362-K366 PolarHBondContact O-N 3.34Å; K366-G368 VanDerWaalsContact C-N 3.34Å; K366-G368 PolarHBondContact O-N 3.27Å; K366-G369 PolarHBondContact O-N 2.91Å |
| 367 | K | 88.7 | Confident | 89.1 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.3 | -35.7 | 178 | -171.4 | 176.3 | 179.4 | -178.9 | 0 | 112.7 | L363 Y364 | L363-K367 WeakPolarHBondContact O-CB 3.21Å; L363-K367 PolarHBondContact O-N 3.26Å; Y364-K367 HydrophobicContact CD1-CD 4.5Å; Y364-K367 PolarHBondContact O-N 3.32Å |
| 368 | G | 87.2 | Confident | 89 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -89.3 | -3.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y364 A365 K366 | Y364-G368 PolarHBondContact O-N 3.1Å; A365-G368 CarbonylContact O-C 3.54Å; A365-G368 PolarHBondContact O-N 3.5Å; K366-G368 VanDerWaalsContact C-N 3.34Å; K366-G368 PolarHBondContact O-N 3.27Å |
| 369 | G | 88 | Confident | 89.1 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 75% | 0.753 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 36.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A365 K366 | A365-G369 PolarHBondContact O-N 2.96Å; K366-G369 PolarHBondContact O-N 2.91Å |
| 370 | Y | 89 | Confident | 89.5 | Confident | 20 Ų | 20 | 53 Ų | 53 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | trans | -129.4 | 151.9 | 177.7 | 66.3 | -88 | 0 | 0 | 0 | 112.1 | S129 R130 H131 Y364 A365 V372 | S129-Y370 PolarHBondContact OG-OH 3.32Å; R130-Y370 HydrophobicContact CB-CE1 4.24Å; R130-Y370 HydrophobicContact CB-CE2 4.33Å; R130-Y370 HydrophobicContact CG-CD2 4.41Å; R130-Y370 HydrophobicContact CG-CE1 4.45Å; R130-Y370 HydrophobicContact CG-CE2 4.14Å; R130-Y370 PolarHBondContact N-OH 3.48Å; H131-Y370 AromaticContact CE1-CE1 3.49Å; H131-Y370 VanDerWaalsContact CE1-CE1 3.49Å; H131-Y370 WeakPolarHBondContact CE1-CE1 3.38Å; H131-Y370 AromaticContact ND1-CE1 3.32Å; H131-Y370 VanDerWaalsContact ND1-CE1 3.32Å; H131-Y370 WeakPolarHBondContact ND1-CE1 3.09Å; H131-Y370 AromaticContact ND1-CZ 3.51Å; H131-Y370 PolarHBondContact ND1-OH 2.98Å; Y364-Y370 WeakPolarHBondContact O-CE1 3.35Å; A365-Y370 VanDerWaalsContact CA-CZ 3.48Å; A365-Y370 HydrophobicContact CB-CD2 4.28Å; A365-Y370 HydrophobicContact CB-CE2 3.9Å; A365-Y370 WeakPolarHBondContact CB-O 3.07Å; A365-Y370 PolarHBondContact O-N 3.47Å; A365-Y370 VanDerWaalsContact O-N 3.13Å; Y370-V372 HydrophobicContact CD2-CG2 3.87Å; Y370-V372 HydrophobicContact CE2-CG2 3.51Å | ||
| 371 | D | 84.9 | Confident | 89.8 | Confident | 162 Ų | 162 | 52.4 Ų | 52.4 | 87% | 0.866 | 29% | 0.288 | S | S | * | . | trans | -86.7 | 152.7 | 176.8 | -69.9 | -44.5 | 0 | 0 | 0 | 112.5 | ||||
| 372 | V | 85.7 | Confident | 89.9 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 11% | 0.109 | 29% | 0.288 | C | S | . | . | trans | -131.2 | 136.2 | -179.3 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | T128 V361 A365 Y370 Y374 E377 | T128-V372 WeakPolarHBondContact OG1-CG1 3.32Å; V361-V372 HydrophobicContact CG1-CB 3.9Å; V361-V372 HydrophobicContact CG1-CG1 3.24Å; V361-V372 HydrophobicContact CG1-CG2 3.75Å; A365-V372 HydrophobicContact CB-CG2 3.58Å; Y370-V372 HydrophobicContact CD2-CG2 3.87Å; Y370-V372 HydrophobicContact CE2-CG2 3.51Å; V372-Y374 PolarHBondContact O-N 3.49Å; V372-E377 HydrophobicContact CG1-CG 3.47Å; V372-E377 VanDerWaalsContact CG1-CG 3.47Å | ||
| 373 | G | 84.2 | Confident | 90.3 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | trans | -80.1 | 95.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | T128 T375 Q376 E377 | T128-G373 PolarHBondContact OG1-N 3.45Å; G373-T375 VanDerWaalsContact C-N 3.33Å; G373-T375 PolarHBondContact O-N 2.88Å; G373-Q376 WeakPolarHBondContact O-CA 3.19Å; G373-Q376 WeakPolarHBondContact O-CB 3.03Å; G373-Q376 PolarHBondContact O-N 3.5Å; G373-E377 PolarHBondContact O-N 3.18Å | ||
| 374 | Y | 86.1 | Confident | 90.7 | Very high | 101 Ų | 101 | 46.3 Ų | 46.3 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.4 | -43.1 | -178.4 | -61.2 | -65.8 | 0 | 0 | 0 | 113.7 | I358 K362 V372 Q376 E377 L378 | I358-Y374 HydrophobicContact CG2-CD1 4.06Å; I358-Y374 HydrophobicContact CG2-CE1 4.27Å; K362-Y374 HydrophobicContact CD-CE1 4.11Å; K362-Y374 VanDerWaalsContact CE-CE1 3.44Å; K362-Y374 HydrophobicContact CG-CE1 3.5Å; K362-Y374 WeakPolarHBondContact CG-OH 3.46Å; V372-Y374 PolarHBondContact O-N 3.49Å; Y374-Q376 PolarHBondContact O-N 3.32Å; Y374-E377 WeakPolarHBondContact O-CB 3.33Å; Y374-E377 PolarHBondContact O-N 3.39Å; Y374-E377 VanDerWaalsContact O-N 3.12Å; Y374-L378 WeakPolarHBondContact O-CD1 3.33Å; Y374-L378 PolarHBondContact O-N 3.47Å; Y374-L378 VanDerWaalsContact O-N 3.08Å |
| 375 | T | 87.4 | Confident | 91 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 175.8 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | G196 R199 G373 L378 N379 | G196-T375 WeakPolarHBondContact O-CG2 3.24Å; R199-T375 HydrophobicContact CG-CG2 4.15Å; G373-T375 VanDerWaalsContact C-N 3.33Å; G373-T375 PolarHBondContact O-N 2.88Å; T375-L378 WeakPolarHBondContact O-CB 3.42Å; T375-L378 PolarHBondContact O-N 3.35Å; T375-N379 PolarHBondContact O-N 2.94Å |
| 376 | Q | 89.3 | Confident | 91.3 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71 | -36 | 176.4 | -175.2 | 61.2 | 14.7 | 0 | 0 | 111.2 | P66 F126 T128 G373 Y374 L378 N379 A380 | P66-Q376 HydrophobicContact CG-CG 4.24Å; F126-Q376 WeakPolarHBondContact O-CG 3.43Å; F126-Q376 PolarHBondContact O-NE2 2.82Å; T128-Q376 HydrophobicContact CG2-CB 4.01Å; T128-Q376 HydrophobicContact CG2-CG 3.65Å; G373-Q376 WeakPolarHBondContact O-CA 3.19Å; G373-Q376 WeakPolarHBondContact O-CB 3.03Å; G373-Q376 PolarHBondContact O-N 3.5Å; Y374-Q376 PolarHBondContact O-N 3.32Å; Q376-L378 VanDerWaalsContact C-N 3.3Å; Q376-L378 PolarHBondContact O-N 3.19Å; Q376-N379 PolarHBondContact O-N 2.78Å; Q376-A380 VanDerWaalsContact O-CB 3.29Å; Q376-A380 WeakPolarHBondContact O-CB 3.29Å; Q376-A380 PolarHBondContact O-N 3.36Å |
| 377 | E | 91.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 173.1 | -65.9 | -60.2 | 141.8 | 0 | 0 | 112.6 | Y123 T128 S129 V361 V372 G373 Y374 A380 L381 | Y123-E377 WeakPolarHBondContact CE2-OE2 3.46Å; Y123-E377 VanDerWaalsContact OH-CD 3.3Å; Y123-E377 PolarHBondContact OH-OE1 3.06Å; Y123-E377 PolarHBondContact OH-OE2 2.84Å; T128-E377 VanDerWaalsContact CA-OE1 3.29Å; T128-E377 WeakPolarHBondContact CA-OE1 3.29Å; T128-E377 WeakPolarHBondContact CB-OE1 3.48Å; T128-E377 PolarHBondContact N-OE1 2.87Å; T128-E377 PolarHBondContact OG1-OE1 3.49Å; S129-E377 PolarHBondContact N-OE1 3.25Å; V361-E377 HydrophobicContact CG1-CG 4.26Å; V372-E377 HydrophobicContact CG1-CG 3.47Å; V372-E377 VanDerWaalsContact CG1-CG 3.47Å; G373-E377 PolarHBondContact O-N 3.18Å; Y374-E377 WeakPolarHBondContact O-CB 3.33Å; Y374-E377 PolarHBondContact O-N 3.39Å; Y374-E377 VanDerWaalsContact O-N 3.12Å; E377-A380 PolarHBondContact O-N 2.92Å; E377-L381 WeakPolarHBondContact O-CB 3.37Å; E377-L381 PolarHBondContact O-N 3.45Å |
| 378 | L | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 173.6 | -85.4 | 74.2 | 0 | 0 | 0 | 111 | L195 L354 I358 Y374 T375 Q376 G382 | L195-L378 HydrophobicContact CB-CD2 3.83Å; L354-L378 HydrophobicContact CD1-CG 4.33Å; L354-L378 HydrophobicContact CD2-CB 4.37Å; L354-L378 HydrophobicContact CD2-CG 3.93Å; I358-L378 HydrophobicContact CD1-CD1 3.62Å; Y374-L378 WeakPolarHBondContact O-CD1 3.33Å; Y374-L378 PolarHBondContact O-N 3.47Å; Y374-L378 VanDerWaalsContact O-N 3.08Å; T375-L378 WeakPolarHBondContact O-CB 3.42Å; T375-L378 PolarHBondContact O-N 3.35Å; Q376-L378 VanDerWaalsContact C-N 3.3Å; Q376-L378 PolarHBondContact O-N 3.19Å; L378-G382 PolarHBondContact O-N 2.84Å |
| 379 | N | 92.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 178.9 | -69.6 | -26.6 | 0 | 0 | 0 | 111.9 | G196 T375 Q376 G382 L383 | G196-N379 VanDerWaalsContact CA-OD1 3.29Å; G196-N379 WeakPolarHBondContact CA-OD1 3.34Å; T375-N379 PolarHBondContact O-N 2.94Å; Q376-N379 PolarHBondContact O-N 2.78Å; N379-G382 PolarHBondContact O-N 2.66Å; N379-L383 VanDerWaalsContact O-CB 3.27Å; N379-L383 WeakPolarHBondContact O-CB 3.43Å; N379-L383 VanDerWaalsContact O-CG 3.25Å; N379-L383 WeakPolarHBondContact O-CG 3.28Å; N379-L383 PolarHBondContact O-N 3.35Å |
| 380 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -49.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y123 F126 Q376 E377 S384 | Y123-A380 HydrophobicContact CD2-CB 4.03Å; Y123-A380 HydrophobicContact CE2-CB 4.04Å; F126-A380 HydrophobicContact CB-CB 3.8Å; F126-A380 WeakPolarHBondContact O-CB 3.44Å; Q376-A380 VanDerWaalsContact O-CB 3.29Å; Q376-A380 WeakPolarHBondContact O-CB 3.29Å; Q376-A380 PolarHBondContact O-N 3.36Å; E377-A380 PolarHBondContact O-N 2.92Å; A380-S384 WeakPolarHBondContact O-CB 3.35Å; A380-S384 PolarHBondContact O-N 3.34Å; A380-S384 PolarHBondContact O-OG 3.46Å; A380-S384 VanDerWaalsContact O-OG 3.11Å |
| 381 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 177 | -171.9 | 63.4 | 0 | 0 | 0 | 111.7 | I134 Q192 S353 L354 T357 E377 S384 N385 | I134-L381 HydrophobicContact CD1-CD1 4.24Å; I134-L381 HydrophobicContact CG2-CD1 4.29Å; Q192-L381 PolarHBondContact OE1-O 3.45Å; S353-L381 WeakPolarHBondContact OG-CD2 3.44Å; L354-L381 HydrophobicContact CD2-CB 4.44Å; L354-L381 HydrophobicContact CD2-CD2 3.81Å; L354-L381 HydrophobicContact CG-CD2 4.33Å; T357-L381 HydrophobicContact CG2-CD2 4.23Å; T357-L381 WeakPolarHBondContact OG1-CD2 3.47Å; E377-L381 WeakPolarHBondContact O-CB 3.37Å; E377-L381 PolarHBondContact O-N 3.45Å; L381-S384 WeakPolarHBondContact O-CB 3.48Å; L381-S384 PolarHBondContact O-N 2.92Å; L381-N385 PolarHBondContact O-N 3.36Å; L381-N385 PolarHBondContact O-ND2 3.27Å |
| 382 | G | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G189 L378 N379 S384 N385 V386 | G189-G382 VanDerWaalsContact CA-O 3.31Å; G189-G382 WeakPolarHBondContact CA-O 3Å; G189-G382 WeakPolarHBondContact O-CA 3.49Å; L378-G382 PolarHBondContact O-N 2.84Å; N379-G382 PolarHBondContact O-N 2.66Å; G382-S384 VanDerWaalsContact C-N 3.34Å; G382-S384 PolarHBondContact O-N 2.97Å; G382-N385 PolarHBondContact O-N 2.89Å; G382-N385 VanDerWaalsContact O-N 3.15Å; G382-V386 WeakPolarHBondContact O-CG2 3.42Å; G382-V386 PolarHBondContact O-N 3.29Å |
| 383 | L | 97 | Very high | 94.4 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 26% | 0.262 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.4 | -73.3 | 170.5 | 0 | 0 | 0 | 111.7 | V122 F126 V193 N379 N385 V386 I387 | V122-L383 HydrophobicContact CG1-CB 4.42Å; F126-L383 HydrophobicContact CD1-CD1 3.96Å; F126-L383 HydrophobicContact CD2-CB 4.42Å; F126-L383 HydrophobicContact CD2-CD1 4.18Å; F126-L383 HydrophobicContact CE1-CD1 4.08Å; F126-L383 HydrophobicContact CE2-CD1 4.3Å; F126-L383 HydrophobicContact CG-CD1 4.02Å; F126-L383 HydrophobicContact CZ-CD1 4.25Å; V193-L383 HydrophobicContact CG2-CD2 4.29Å; V193-L383 HydrophobicContact CG2-CG 4.15Å; N379-L383 VanDerWaalsContact O-CB 3.27Å; N379-L383 WeakPolarHBondContact O-CB 3.43Å; N379-L383 VanDerWaalsContact O-CG 3.25Å; N379-L383 WeakPolarHBondContact O-CG 3.28Å; N379-L383 PolarHBondContact O-N 3.35Å; L383-N385 VanDerWaalsContact C-N 3.28Å; L383-N385 PolarHBondContact O-N 2.87Å; L383-V386 PolarHBondContact O-N 3.4Å; L383-I387 HydrophobicContact CB-CD1 4.47Å; L383-I387 VanDerWaalsContact O-CB 3.31Å; L383-I387 WeakPolarHBondContact O-CB 3.2Å; L383-I387 WeakPolarHBondContact O-CG1 3.45Å; L383-I387 PolarHBondContact O-N 3.47Å |
| 384 | S | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.3 | -44.5 | 172.3 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | P119 Y123 A380 L381 G382 S388 | P119-S384 PolarHBondContact O-OG 2.8Å; Y123-S384 WeakPolarHBondContact CA-OG 3.14Å; Y123-S384 PolarHBondContact N-OG 2.69Å; Y123-S384 VanDerWaalsContact N-OG 3.14Å; A380-S384 WeakPolarHBondContact O-CB 3.35Å; A380-S384 PolarHBondContact O-N 3.34Å; A380-S384 PolarHBondContact O-OG 3.46Å; A380-S384 VanDerWaalsContact O-OG 3.11Å; L381-S384 WeakPolarHBondContact O-CB 3.48Å; L381-S384 PolarHBondContact O-N 2.92Å; G382-S384 VanDerWaalsContact C-N 3.34Å; G382-S384 PolarHBondContact O-N 2.97Å; S384-S388 WeakPolarHBondContact O-CB 3.34Å; S384-S388 PolarHBondContact O-N 2.58Å; S384-S388 PolarHBondContact O-OG 3.04Å |
| 385 | N | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.3 | -41.7 | 178.3 | -72.6 | -33.4 | 0 | 0 | 0 | 113.2 | C185 Q192 L381 G382 L383 S388 G389 S396 | C185-N385 PolarHBondContact SG-O 2.98Å; Q192-N385 PolarHBondContact OE1-ND2 3.5Å; L381-N385 PolarHBondContact O-N 3.36Å; L381-N385 PolarHBondContact O-ND2 3.27Å; G382-N385 PolarHBondContact O-N 2.89Å; G382-N385 VanDerWaalsContact O-N 3.15Å; L383-N385 VanDerWaalsContact C-N 3.28Å; L383-N385 PolarHBondContact O-N 2.87Å; N385-S388 PolarHBondContact O-OG 3.25Å; N385-G389 PolarHBondContact O-N 3.49Å; N385-S396 PolarHBondContact ND2-O 3.45Å; N385-S396 WeakPolarHBondContact OD1-CB 3.33Å; N385-S396 PolarHBondContact OD1-N 3.33Å; N385-S396 PolarHBondContact OD1-OG 2.93Å |
| 386 | V | 98.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 13% | 0.133 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.8 | -53.9 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L190 G382 L383 G389 F390 | L190-V386 HydrophobicContact CD2-CG2 4.07Å; L190-V386 HydrophobicContact CG-CG2 4.06Å; G382-V386 WeakPolarHBondContact O-CG2 3.42Å; G382-V386 PolarHBondContact O-N 3.29Å; L383-V386 PolarHBondContact O-N 3.4Å; V386-G389 PolarHBondContact O-N 3.37Å; V386-F390 HydrophobicContact CG1-CE2 4Å; V386-F390 WeakPolarHBondContact O-CD2 3.42Å |
| 387 | I | 97.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 16.6 Ų | 16.6 | 29% | 0.292 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -67.1 | -47.6 | -175.2 | -64.5 | 172.9 | 0 | 0 | 0 | 109.9 | V122 F126 L383 G389 F390 F391 | V122-I387 HydrophobicContact CG1-CD1 3.96Å; V122-I387 HydrophobicContact CG2-CB 4.06Å; V122-I387 HydrophobicContact CG2-CD1 4.46Å; V122-I387 HydrophobicContact CG2-CG2 3.8Å; F126-I387 HydrophobicContact CE2-CD1 4.41Å; L383-I387 HydrophobicContact CB-CD1 4.47Å; L383-I387 VanDerWaalsContact O-CB 3.31Å; L383-I387 WeakPolarHBondContact O-CB 3.2Å; L383-I387 WeakPolarHBondContact O-CG1 3.45Å; L383-I387 PolarHBondContact O-N 3.47Å; I387-G389 VanDerWaalsContact C-N 3.3Å; I387-G389 PolarHBondContact O-N 3.19Å; I387-F390 PolarHBondContact O-N 3.33Å; I387-F391 HydrophobicContact CG2-CE2 4.13Å; I387-F391 WeakPolarHBondContact O-CD2 3.44Å |
| 388 | S | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.3 | -30.1 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | S384 N385 F390 F391 C393 | S384-S388 WeakPolarHBondContact O-CB 3.34Å; S384-S388 PolarHBondContact O-N 2.58Å; S384-S388 PolarHBondContact O-OG 3.04Å; N385-S388 PolarHBondContact O-OG 3.25Å; S388-F390 VanDerWaalsContact C-N 3.28Å; S388-F390 PolarHBondContact O-N 3Å; S388-F391 CarbonylContact O-C 3.59Å; S388-F391 VanDerWaalsContact O-CA 3.32Å; S388-F391 WeakPolarHBondContact O-CA 3.09Å; S388-F391 PolarHBondContact O-N 2.86Å; S388-C393 WeakPolarHBondContact O-CB 3.24Å; S388-C393 PolarHBondContact O-N 3.41Å; S388-C393 PolarHBondContact O-SG 3.26Å |
| 389 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.1 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I182 N385 V386 I387 F391 R392 | I182-G389 WeakPolarHBondContact CG2-O 3.2Å; N385-G389 PolarHBondContact O-N 3.49Å; V386-G389 PolarHBondContact O-N 3.37Å; I387-G389 VanDerWaalsContact C-N 3.3Å; I387-G389 PolarHBondContact O-N 3.19Å; G389-F391 PolarHBondContact O-N 3.48Å; G389-R392 PolarHBondContact O-N 3.25Å; G389-R392 VanDerWaalsContact O-N 3.09Å |
| 390 | F | 97.2 | Very high | 96.2 | Very high | 67 Ų | 67 | 19.9 Ų | 19.9 | 29% | 0.294 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -59.7 | -29.1 | 173.2 | -67.5 | -70.8 | 0 | 0 | 0 | 112.4 | I186 P331 M332 L333 V386 I387 S388 R392 | I186-F390 HydrophobicContact CD1-CD1 3.98Å; I186-F390 HydrophobicContact CD1-CD2 4.45Å; I186-F390 HydrophobicContact CD1-CE1 3.92Å; I186-F390 HydrophobicContact CD1-CE2 4.4Å; I186-F390 HydrophobicContact CD1-CG 4.25Å; I186-F390 HydrophobicContact CD1-CZ 4.14Å; P331-F390 CarbonylContact C-O 3.57Å; P331-F390 WeakPolarHBondContact CA-O 3.32Å; M332-F390 PolarHBondContact N-O 3.48Å; L333-F390 HydrophobicContact CD2-CD1 4.26Å; L333-F390 HydrophobicContact CD2-CE1 3.88Å; V386-F390 HydrophobicContact CG1-CE2 4Å; V386-F390 WeakPolarHBondContact O-CD2 3.42Å; I387-F390 PolarHBondContact O-N 3.33Å; S388-F390 VanDerWaalsContact C-N 3.28Å; S388-F390 PolarHBondContact O-N 3Å; F390-R392 VanDerWaalsContact C-N 3.27Å; F390-R392 PolarHBondContact O-N 2.79Å |
| 391 | F | 96.6 | Very high | 95.8 | Very high | 59 Ų | 59 | 22.5 Ų | 22.5 | 26% | 0.259 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 35.5 | 176.4 | -60.1 | -79.3 | 0 | 0 | 0 | 113 | F118 P329 P331 I387 S388 G389 C393 | F118-F391 HydrophobicContact CD1-CB 4.03Å; F118-F391 HydrophobicContact CD1-CD1 4.48Å; F118-F391 AromaticContact CD1-CD2 3.76Å; F118-F391 HydrophobicContact CD1-CD2 3.76Å; F118-F391 HydrophobicContact CD1-CE2 4.36Å; F118-F391 AromaticContact CD1-CG 3.84Å; F118-F391 HydrophobicContact CD1-CG 3.84Å; F118-F391 HydrophobicContact CD2-CB 3.6Å; F118-F391 HydrophobicContact CD2-CG 4.29Å; F118-F391 HydrophobicContact CE1-CB 3.86Å; F118-F391 AromaticContact CE1-CD1 3.68Å; F118-F391 HydrophobicContact CE1-CD1 3.68Å; F118-F391 AromaticContact CE1-CD2 3.74Å; F118-F391 HydrophobicContact CE1-CD2 3.74Å; F118-F391 HydrophobicContact CE1-CE1 4.12Å; F118-F391 HydrophobicContact CE1-CE2 4.19Å; F118-F391 AromaticContact CE1-CG 3.47Å; F118-F391 HydrophobicContact CE1-CG 3.47Å; F118-F391 VanDerWaalsContact CE1-CG 3.47Å; F118-F391 HydrophobicContact CE1-CZ 4.36Å; F118-F391 HydrophobicContact CE2-CB 3.45Å; F118-F391 VanDerWaalsContact CE2-CB 3.45Å; F118-F391 HydrophobicContact CE2-CD1 4.33Å; F118-F391 AromaticContact CE2-CG 3.99Å; F118-F391 HydrophobicContact CE2-CG 3.99Å; F118-F391 HydrophobicContact CG-CB 3.9Å; F118-F391 HydrophobicContact CG-CD2 4.31Å; F118-F391 HydrophobicContact CG-CG 4.23Å; F118-F391 HydrophobicContact CZ-CB 3.57Å; F118-F391 AromaticContact CZ-CD1 3.59Å; F118-F391 HydrophobicContact CZ-CD1 3.59Å; F118-F391 HydrophobicContact CZ-CD2 4.29Å; F118-F391 HydrophobicContact CZ-CE1 4.35Å; F118-F391 AromaticContact CZ-CG 3.56Å; F118-F391 HydrophobicContact CZ-CG 3.56Å; P329-F391 HydrophobicContact CG-CB 4.1Å; P329-F391 VanDerWaalsContact CG-O 3.28Å; P329-F391 WeakPolarHBondContact CG-O 3.43Å; P331-F391 HydrophobicContact CG-CD1 4.5Å; P331-F391 HydrophobicContact CG-CE1 4Å; I387-F391 HydrophobicContact CG2-CE2 4.13Å; I387-F391 WeakPolarHBondContact O-CD2 3.44Å; S388-F391 CarbonylContact O-C 3.59Å; S388-F391 VanDerWaalsContact O-CA 3.32Å; S388-F391 WeakPolarHBondContact O-CA 3.09Å; S388-F391 PolarHBondContact O-N 2.86Å; G389-F391 PolarHBondContact O-N 3.48Å; F391-C393 VanDerWaalsContact C-N 3.26Å; F391-C393 PolarHBondContact O-N 3.1Å |
| 392 | R | 95.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 22.5 Ų | 22.5 | 24% | 0.238 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 28 | 173.4 | -52.7 | -178.5 | -177.4 | -144.3 | 0.6 | 114.4 | Y114 L178 I182 P329 S330 M332 G389 F390 | Y114-R392 HydrophobicContact CD2-CB 4.31Å; L178-R392 HydrophobicContact CD1-CB 4.27Å; L178-R392 HydrophobicContact CD2-CG 4.45Å; I182-R392 HydrophobicContact CD1-CB 4.29Å; I182-R392 HydrophobicContact CD1-CG 4.18Å; P329-R392 HydrophobicContact CB-CB 4.32Å; P329-R392 HydrophobicContact CB-CG 3.99Å; S330-R392 PolarHBondContact OG-NH2 3.05Å; M332-R392 HydrophobicContact CB-CG 4.35Å; G389-R392 PolarHBondContact O-N 3.25Å; G389-R392 VanDerWaalsContact O-N 3.09Å; F390-R392 VanDerWaalsContact C-N 3.27Å; F390-R392 PolarHBondContact O-N 2.79Å |
| 393 | C | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -88.2 | 150.5 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | Y114 T115 C185 S388 F391 | Y114-C393 PolarHBondContact O-SG 2.96Å; T115-C393 HydrophobicContact CG2-CB 4.48Å; T115-C393 WeakPolarHBondContact OG1-CA 3.32Å; T115-C393 WeakPolarHBondContact OG1-CB 3.39Å; C185-C393 WeakPolarHBondContact CB-O 3.4Å; C185-C393 PolarHBondContact SG-O 2.73Å; S388-C393 WeakPolarHBondContact O-CB 3.24Å; S388-C393 PolarHBondContact O-N 3.41Å; S388-C393 PolarHBondContact O-SG 3.26Å; F391-C393 VanDerWaalsContact C-N 3.26Å; F391-C393 PolarHBondContact O-N 3.1Å |
| 394 | Q | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -83.6 | 164.8 | 163.4 | 75 | -162 | 33.5 | 0 | 0 | 109.7 | Y101 A105 T115 S141 T144 V181 C185 S396 | Y101-Q394 PolarHBondContact O-NE2 3.22Å; A105-Q394 HydrophobicContact CB-CB 4.39Å; A105-Q394 VanDerWaalsContact CB-CD 3.46Å; A105-Q394 HydrophobicContact CB-CG 4.43Å; T115-Q394 HydrophobicContact CG2-CG 3.79Å; T115-Q394 VanDerWaalsContact CG2-O 3.23Å; T115-Q394 WeakPolarHBondContact CG2-O 3.37Å; T115-Q394 PolarHBondContact OG1-N 3.09Å; S141-Q394 PolarHBondContact OG-NE2 2.9Å; T144-Q394 HydrophobicContact CG2-CB 4.4Å; V181-Q394 VanDerWaalsContact CG1-CA 3.47Å; V181-Q394 HydrophobicContact CG1-CB 3.36Å; C185-Q394 PolarHBondContact SG-O 2.71Å; Q394-S396 PolarHBondContact O-N 2.96Å |
| 395 | P | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 138.5 | 175.8 | -15 | 22.8 | 0 | 0 | 0 | 111.4 | V140 T144 V184 C185 T188 V349 | V140-P395 HydrophobicContact CG1-CB 3.7Å; V140-P395 WeakPolarHBondContact CG1-O 3.35Å; T144-P395 HydrophobicContact CG2-CG 4.27Å; T144-P395 WeakPolarHBondContact OG1-CD 3.38Å; T144-P395 WeakPolarHBondContact OG1-CG 3.33Å; V184-P395 HydrophobicContact CG1-CG 3.91Å; C185-P395 HydrophobicContact CB-CG 4.09Å; T188-P395 HydrophobicContact CG2-CB 4.35Å; V349-P395 HydrophobicContact CG1-CB 3.67Å; V349-P395 HydrophobicContact CG1-CG 3.87Å |
| 396 | S | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -111 | 161.4 | -177 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | P119 G135 S353 N385 Q394 | P119-S396 VanDerWaalsContact CB-OG 3.29Å; P119-S396 WeakPolarHBondContact CB-OG 3.28Å; G135-S396 WeakPolarHBondContact O-CA 3.38Å; G135-S396 WeakPolarHBondContact O-CB 3.38Å; S353-S396 PolarHBondContact OG-O 2.9Å; N385-S396 PolarHBondContact ND2-O 3.45Å; N385-S396 WeakPolarHBondContact OD1-CB 3.33Å; N385-S396 PolarHBondContact OD1-N 3.33Å; N385-S396 PolarHBondContact OD1-OG 2.93Å; Q394-S396 PolarHBondContact O-N 2.96Å | ||
| 397 | S | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 163.8 | 177.2 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | G135 S353 T357 R402 | G135-S397 PolarHBondContact N-O 3.03Å; G135-S397 PolarHBondContact O-N 3.17Å; G135-S397 VanDerWaalsContact O-O 3.06Å; S353-S397 WeakPolarHBondContact CA-OG 3.44Å; S353-S397 PolarHBondContact O-OG 2.83Å; S353-S397 VanDerWaalsContact OG-CB 3.28Å; S353-S397 WeakPolarHBondContact OG-CB 3.35Å; S353-S397 PolarHBondContact OG-OG 2.87Å; T357-S397 PolarHBondContact OG1-OG 3.24Å; T357-S397 VanDerWaalsContact OG1-OG 3.09Å; S397-R402 PolarHBondContact O-NH2 3.43Å; S397-R402 VanDerWaalsContact O-NH2 3.13Å |
| 398 | G | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | S133 T356 T357 L360 | S133-G398 WeakPolarHBondContact O-CA 3.31Å; T356-G398 WeakPolarHBondContact CG2-O 3.32Å; T357-G398 PolarHBondContact OG1-N 3.48Å; L360-G398 VanDerWaalsContact CD1-C 3.43Å; L360-G398 WeakPolarHBondContact CD1-O 3.19Å |
| 399 | A | 92.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | trans | -118.1 | 132.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S133 F137 A401 R402 T403 | S133-A399 PolarHBondContact O-N 3.25Å; F137-A399 HydrophobicContact CD2-CB 3.81Å; F137-A399 HydrophobicContact CE2-CB 4.49Å; F137-A399 HydrophobicContact CG-CB 4.46Å; A399-A401 PolarHBondContact O-N 3.49Å; A399-R402 HydrophobicContact CB-CB 4.46Å; A399-R402 HydrophobicContact CB-CG 4.39Å; A399-R402 PolarHBondContact O-N 3.4Å; A399-T403 VanDerWaalsContact O-CB 3.32Å; A399-T403 WeakPolarHBondContact O-CB 3.25Å; A399-T403 PolarHBondContact O-N 3.5Å; A399-T403 PolarHBondContact O-OG1 3.43Å | ||
| 400 | L | 86.6 | Confident | 92.7 | Very high | 94 Ų | 94 | 28.1 Ų | 28.1 | 49% | 0.492 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.3 | -49.6 | -178.9 | -179.5 | 60 | 0 | 0 | 0 | 111.5 | L360 L363 Y364 R402 T403 S404 | L360-L400 HydrophobicContact CD2-CB 3.78Å; L360-L400 HydrophobicContact CD2-CD1 3.44Å; L360-L400 VanDerWaalsContact CD2-CD1 3.44Å; L360-L400 HydrophobicContact CD2-CG 4.18Å; L363-L400 HydrophobicContact CD2-CD1 4.37Å; Y364-L400 HydrophobicContact CE2-CD1 4.45Å; L400-R402 PolarHBondContact O-N 3.44Å; L400-T403 PolarHBondContact O-N 3.15Å; L400-S404 VanDerWaalsContact O-CB 3.23Å; L400-S404 WeakPolarHBondContact O-CB 3.35Å; L400-S404 PolarHBondContact O-N 2.99Å |
| 401 | A | 85.6 | Confident | 92.6 | Very high | 55 Ų | 55 | 25.3 Ų | 25.3 | 46% | 0.455 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.5 | -45.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A399 V405 | A399-A401 PolarHBondContact O-N 3.49Å; A401-V405 VanDerWaalsContact O-CG2 3.25Å; A401-V405 WeakPolarHBondContact O-CG2 3.49Å; A401-V405 PolarHBondContact O-N 3.04Å |
| 402 | R | 90.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.4 | -49.6 | 178 | -67 | -172.1 | -58.4 | -149.2 | -9.8 | 112 | L90 V93 H94 Q97 S133 G135 T136 S397 A399 L400 S404 V405 A406 | L90-R402 HydrophobicContact CD2-CB 4.33Å; V93-R402 HydrophobicContact CG1-CG 3.72Å; H94-R402 PolarHBondContact CE1-NH1 3.26Å; H94-R402 PolarHBondContact ND1-NH1 3Å; Q97-R402 VanDerWaalsContact OE1-CG 3.29Å; S133-R402 PolarHBondContact O-NH2 3.44Å; S133-R402 PolarHBondContact OG-NE 3.45Å; G135-R402 PolarHBondContact O-NH2 3.13Å; T136-R402 VanDerWaalsContact N-NH1 3.19Å; T136-R402 PolarHBondContact O-NH1 3.5Å; T136-R402 PolarHBondContact O-NH2 3.43Å; T136-R402 PolarHBondContact OG1-NH1 3.5Å; S397-R402 PolarHBondContact O-NH2 3.43Å; S397-R402 VanDerWaalsContact O-NH2 3.13Å; A399-R402 HydrophobicContact CB-CB 4.46Å; A399-R402 HydrophobicContact CB-CG 4.39Å; A399-R402 PolarHBondContact O-N 3.4Å; L400-R402 PolarHBondContact O-N 3.44Å; R402-S404 VanDerWaalsContact C-N 3.3Å; R402-S404 PolarHBondContact O-N 2.93Å; R402-V405 PolarHBondContact O-N 2.84Å; R402-A406 WeakPolarHBondContact O-CB 3.15Å; R402-A406 PolarHBondContact O-N 3.29Å |
| 403 | T | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | H131 S133 Y364 A399 L400 A406 C407 | H131-T403 WeakPolarHBondContact O-CG2 3.27Å; S133-T403 PolarHBondContact N-OG1 2.98Å; S133-T403 VanDerWaalsContact N-OG1 3.14Å; Y364-T403 HydrophobicContact CD2-CG2 3.49Å; Y364-T403 VanDerWaalsContact CD2-CG2 3.49Å; Y364-T403 HydrophobicContact CE1-CG2 4.41Å; Y364-T403 HydrophobicContact CE2-CG2 3.3Å; Y364-T403 HydrophobicContact CG-CG2 4.16Å; A399-T403 VanDerWaalsContact O-CB 3.32Å; A399-T403 WeakPolarHBondContact O-CB 3.25Å; A399-T403 PolarHBondContact O-N 3.5Å; A399-T403 PolarHBondContact O-OG1 3.43Å; L400-T403 PolarHBondContact O-N 3.15Å; T403-A406 PolarHBondContact O-N 2.98Å; T403-C407 WeakPolarHBondContact O-CB 3.4Å; T403-C407 PolarHBondContact O-N 3.34Å; T403-C407 PolarHBondContact O-SG 3.07Å |
| 404 | S | 88.8 | Confident | 92.2 | Very high | 33 Ų | 33 | 21.6 Ų | 21.6 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 179.8 | -172 | 0 | 0 | 0 | 0 | 113 | Y364 L400 R402 A406 C407 N408 | Y364-S404 WeakPolarHBondContact OH-CA 3.27Å; Y364-S404 VanDerWaalsContact OH-CB 3.29Å; Y364-S404 WeakPolarHBondContact OH-CB 3.38Å; Y364-S404 PolarHBondContact OH-N 2.72Å; L400-S404 VanDerWaalsContact O-CB 3.23Å; L400-S404 WeakPolarHBondContact O-CB 3.35Å; L400-S404 PolarHBondContact O-N 2.99Å; R402-S404 VanDerWaalsContact C-N 3.3Å; R402-S404 PolarHBondContact O-N 2.93Å; S404-A406 VanDerWaalsContact C-N 3.35Å; S404-C407 PolarHBondContact O-N 2.86Å; S404-N408 VanDerWaalsContact O-CB 3.27Å; S404-N408 WeakPolarHBondContact O-CB 3.41Å; S404-N408 PolarHBondContact O-N 2.88Å; S404-N408 PolarHBondContact O-ND2 2.53Å; S404-N408 PolarHBondContact O-OD1 2.85Å |
| 405 | V | 88.9 | Confident | 92.1 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | T89 V93 A401 R402 N408 V409 | T89-V405 HydrophobicContact CG2-CG1 3.5Å; V93-V405 HydrophobicContact CG2-CG1 4.46Å; A401-V405 VanDerWaalsContact O-CG2 3.25Å; A401-V405 WeakPolarHBondContact O-CG2 3.49Å; A401-V405 PolarHBondContact O-N 3.04Å; R402-V405 PolarHBondContact O-N 2.84Å; V405-N408 PolarHBondContact O-N 3.49Å; V405-V409 WeakPolarHBondContact O-CG2 3.35Å; V405-V409 PolarHBondContact O-N 3.05Å |
| 406 | A | 92.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L90 R402 T403 S404 N408 V409 G410 M411 | L90-A406 HydrophobicContact CD1-CB 4.17Å; L90-A406 HydrophobicContact CD2-CB 3.68Å; L90-A406 HydrophobicContact CG-CB 3.78Å; R402-A406 WeakPolarHBondContact O-CB 3.15Å; R402-A406 PolarHBondContact O-N 3.29Å; T403-A406 PolarHBondContact O-N 2.98Å; S404-A406 VanDerWaalsContact C-N 3.35Å; A406-N408 VanDerWaalsContact C-N 3.33Å; A406-N408 PolarHBondContact O-N 3.28Å; A406-V409 PolarHBondContact O-N 3.19Å; A406-G410 PolarHBondContact O-N 3.08Å; A406-M411 HydrophobicContact CB-CB 4.07Å; A406-M411 HydrophobicContact CB-CG 4.47Å; A406-M411 HydrophobicContact CB-SD 3.68Å; A406-M411 VanDerWaalsContact O-CB 3.27Å; A406-M411 WeakPolarHBondContact O-CB 3.25Å; A406-M411 PolarHBondContact O-N 3.49Å |
| 407 | C | 91.7 | Very high | 92 | Very high | 25 Ų | 25 | 23 Ų | 23 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | Y364 T403 S404 V409 G410 | Y364-C407 HydrophobicContact CD1-CB 4.18Å; Y364-C407 WeakPolarHBondContact CD1-SG 3.33Å; Y364-C407 HydrophobicContact CE1-CB 3.65Å; Y364-C407 WeakPolarHBondContact CE1-SG 3.18Å; T403-C407 WeakPolarHBondContact O-CB 3.4Å; T403-C407 PolarHBondContact O-N 3.34Å; T403-C407 PolarHBondContact O-SG 3.07Å; S404-C407 PolarHBondContact O-N 2.86Å; C407-V409 VanDerWaalsContact C-N 3.27Å; C407-V409 PolarHBondContact O-N 3.07Å; C407-G410 PolarHBondContact O-N 2.98Å; C407-G410 VanDerWaalsContact O-N 3.1Å |
| 408 | N | 88.6 | Confident | 92.1 | Very high | 109 Ų | 109 | 25.8 Ų | 25.8 | 58% | 0.583 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -67.8 | -28.8 | 178.4 | -72.1 | -9.9 | 0 | 0 | 0 | 112.4 | S404 V405 A406 G410 | S404-N408 VanDerWaalsContact O-CB 3.27Å; S404-N408 WeakPolarHBondContact O-CB 3.41Å; S404-N408 PolarHBondContact O-N 2.88Å; S404-N408 PolarHBondContact O-ND2 2.53Å; S404-N408 PolarHBondContact O-OD1 2.85Å; V405-N408 PolarHBondContact O-N 3.49Å; A406-N408 VanDerWaalsContact C-N 3.33Å; A406-N408 PolarHBondContact O-N 3.28Å; N408-G410 VanDerWaalsContact C-N 3.28Å |
| 409 | V | 88.9 | Confident | 92.2 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 15% | 0.152 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.6 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 112 | I85 T89 V405 A406 C407 | I85-V409 HydrophobicContact CB-CG1 4.39Å; I85-V409 HydrophobicContact CG2-CG1 3.48Å; I85-V409 VanDerWaalsContact CG2-CG1 3.48Å; T89-V409 HydrophobicContact CG2-CG2 4.23Å; V405-V409 WeakPolarHBondContact O-CG2 3.35Å; V405-V409 PolarHBondContact O-N 3.05Å; A406-V409 PolarHBondContact O-N 3.19Å; C407-V409 VanDerWaalsContact C-N 3.27Å; C407-V409 PolarHBondContact O-N 3.07Å |
| 410 | G | 89.7 | Confident | 92.4 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | 26.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | S82 A406 C407 N408 C412 | S82-G410 WeakPolarHBondContact CB-O 3.39Å; S82-G410 PolarHBondContact OG-O 2.74Å; A406-G410 PolarHBondContact O-N 3.08Å; C407-G410 PolarHBondContact O-N 2.98Å; C407-G410 VanDerWaalsContact O-N 3.1Å; N408-G410 VanDerWaalsContact C-N 3.28Å; G410-C412 PolarHBondContact O-N 3.47Å; G410-C412 PolarHBondContact O-SG 2.83Å |
| 411 | M | 93.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 3% | 0.034 | 14% | 0.142 | C | C | . | . | trans | -49.6 | 126.3 | 170.2 | -176.5 | -180 | -178.3 | 0 | 0 | 110.8 | A86 L90 R130 H131 A406 S413 A416 | A86-M411 HydrophobicContact CB-CB 3.78Å; A86-M411 HydrophobicContact CB-CG 4.34Å; L90-M411 HydrophobicContact CD1-SD 4.47Å; R130-M411 WeakPolarHBondContact O-CE 3.46Å; H131-M411 PolarHBondContact CD2-O 3.16Å; H131-M411 PolarHBondContact NE2-O 3.34Å; H131-M411 WeakPolarHBondContact O-CE 3.38Å; A406-M411 HydrophobicContact CB-CB 4.07Å; A406-M411 HydrophobicContact CB-CG 4.47Å; A406-M411 HydrophobicContact CB-SD 3.68Å; A406-M411 VanDerWaalsContact O-CB 3.27Å; A406-M411 WeakPolarHBondContact O-CB 3.25Å; A406-M411 PolarHBondContact O-N 3.49Å; M411-S413 VanDerWaalsContact CE-O 3.28Å; M411-S413 WeakPolarHBondContact CE-O 3.49Å; M411-A416 HydrophobicContact CE-CB 4.14Å; M411-A416 HydrophobicContact CG-CB 3.92Å; M411-A416 HydrophobicContact SD-CB 4.4Å | ||
| 412 | C | 92.5 | Very high | 93.4 | Very high | 36 Ų | 36 | 23.6 Ų | 23.6 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | trans | -108.4 | -31.6 | -180 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | D83 G410 | D83-C412 PolarHBondContact OD1-N 3.32Å; G410-C412 PolarHBondContact O-N 3.47Å; G410-C412 PolarHBondContact O-SG 2.83Å | ||
| 413 | S | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -152.6 | 176.9 | -178.3 | 91.3 | 0 | 0 | 0 | 0 | 113.8 | Y75 D83 R130 M411 I415 A416 | Y75-S413 WeakPolarHBondContact CE2-OG 3.43Å; D83-S413 PolarHBondContact OD1-N 2.66Å; D83-S413 WeakPolarHBondContact OD2-CA 3.47Å; D83-S413 VanDerWaalsContact OD2-CB 3.25Å; D83-S413 WeakPolarHBondContact OD2-CB 3.38Å; D83-S413 PolarHBondContact OD2-N 2.96Å; D83-S413 PolarHBondContact OD2-OG 3.29Å; R130-S413 CarbonylContact O-C 3.42Å; R130-S413 VanDerWaalsContact O-CA 3.24Å; R130-S413 WeakPolarHBondContact O-CA 3.37Å; M411-S413 VanDerWaalsContact CE-O 3.28Å; M411-S413 WeakPolarHBondContact CE-O 3.49Å; S413-I415 PolarHBondContact O-N 3.07Å; S413-I415 PolarHBondContact OG-N 2.94Å; S413-I415 VanDerWaalsContact OG-N 3.08Å; S413-A416 PolarHBondContact O-N 3.2Å |
| 414 | Q | 95.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -4.2 | 175 | -67.6 | -63.4 | -26.2 | 0 | 0 | 114 | Y123 F124 S129 R130 V132 A416 S417 L418 | Y123-Q414 HydrophobicContact CE1-CG 4.39Å; F124-Q414 HydrophobicContact CD2-CB 3.77Å; F124-Q414 WeakPolarHBondContact CD2-O 3.36Å; S129-Q414 WeakPolarHBondContact O-CG 3.29Å; S129-Q414 PolarHBondContact O-NE2 3Å; R130-Q414 PolarHBondContact O-N 2.97Å; V132-Q414 PolarHBondContact O-NE2 3.11Å; V132-Q414 PolarHBondContact O-OE1 3.1Å; Q414-A416 PolarHBondContact O-N 3.37Å; Q414-S417 VanDerWaalsContact O-CB 3.32Å; Q414-S417 WeakPolarHBondContact O-CB 3.15Å; Q414-S417 PolarHBondContact O-N 3.08Å; Q414-S417 PolarHBondContact OE1-OG 3.18Å; Q414-L418 PolarHBondContact O-N 3.43Å |
| 415 | I | 95.9 | Very high | 94 | Very high | 27 Ų | 27 | 27.3 Ų | 27.3 | 14% | 0.138 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -30.7 | 168.7 | -74.4 | 169 | 0 | 0 | 0 | 110.8 | L71 Y75 F80 D83 F124 S413 S417 L418 V419 | L71-I415 HydrophobicContact CD2-CD1 3.29Å; L71-I415 HydrophobicContact CD2-CG1 3.81Å; Y75-I415 HydrophobicContact CD1-CD1 3.94Å; Y75-I415 HydrophobicContact CD2-CD1 4.5Å; Y75-I415 HydrophobicContact CE1-CD1 3.25Å; Y75-I415 HydrophobicContact CE2-CD1 3.93Å; Y75-I415 HydrophobicContact CG-CD1 4.5Å; Y75-I415 WeakPolarHBondContact OH-CB 3.47Å; Y75-I415 VanDerWaalsContact OH-CD1 3.27Å; Y75-I415 WeakPolarHBondContact OH-CD1 3.42Å; Y75-I415 WeakPolarHBondContact OH-CG2 3.3Å; F80-I415 HydrophobicContact CD2-CG2 4.29Å; F80-I415 HydrophobicContact CE2-CG2 4.46Å; D83-I415 HydrophobicContact CB-CB 4.28Å; D83-I415 HydrophobicContact CB-CG2 4.16Å; F124-I415 HydrophobicContact CE2-CG1 4.08Å; S413-I415 PolarHBondContact O-N 3.07Å; S413-I415 PolarHBondContact OG-N 2.94Å; S413-I415 VanDerWaalsContact OG-N 3.08Å; I415-S417 VanDerWaalsContact C-N 3.28Å; I415-S417 PolarHBondContact O-N 3.29Å; I415-L418 WeakPolarHBondContact O-CB 3.18Å; I415-L418 PolarHBondContact O-N 3.41Å; I415-L418 VanDerWaalsContact O-N 3.08Å; I415-V419 HydrophobicContact CG2-CG2 4.28Å; I415-V419 WeakPolarHBondContact O-CG2 3.14Å; I415-V419 PolarHBondContact O-N 2.91Å |
| 416 | A | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.5 | -41.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | D83 A86 G87 L90 M411 S413 Q414 L418 V419 S420 | D83-A416 HydrophobicContact CB-CB 4.06Å; D83-A416 WeakPolarHBondContact O-CA 3.33Å; D83-A416 WeakPolarHBondContact O-CB 3.19Å; A86-A416 HydrophobicContact CB-CB 3.9Å; G87-A416 WeakPolarHBondContact CA-O 3.47Å; L90-A416 HydrophobicContact CD1-CB 4.12Å; M411-A416 HydrophobicContact CE-CB 4.14Å; M411-A416 HydrophobicContact CG-CB 3.92Å; M411-A416 HydrophobicContact SD-CB 4.4Å; S413-A416 PolarHBondContact O-N 3.2Å; Q414-A416 PolarHBondContact O-N 3.37Å; A416-L418 VanDerWaalsContact C-N 3.34Å; A416-L418 PolarHBondContact O-N 3.37Å; A416-V419 PolarHBondContact O-N 2.91Å; A416-S420 WeakPolarHBondContact O-CB 3.35Å; A416-S420 PolarHBondContact O-N 3.25Å |
| 417 | S | 96.5 | Very high | 94 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 174.7 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | Q414 I415 S420 C421 | Q414-S417 VanDerWaalsContact O-CB 3.32Å; Q414-S417 WeakPolarHBondContact O-CB 3.15Å; Q414-S417 PolarHBondContact O-N 3.08Å; Q414-S417 PolarHBondContact OE1-OG 3.18Å; I415-S417 VanDerWaalsContact C-N 3.28Å; I415-S417 PolarHBondContact O-N 3.29Å; S417-S420 WeakPolarHBondContact O-CB 3.48Å; S417-S420 PolarHBondContact O-N 3.11Å; S417-C421 PolarHBondContact O-N 3.41Å; S417-C421 PolarHBondContact O-SG 2.96Å |
| 418 | L | 96.3 | Very high | 93.9 | Very high | 58 Ų | 58 | 29.6 Ų | 29.6 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 176 | -175 | 66 | 0 | 0 | 0 | 112.2 | L121 F124 Q414 I415 A416 S420 C421 C422 | L121-L418 HydrophobicContact CD1-CD1 4.14Å; F124-L418 HydrophobicContact CD2-CB 4.46Å; F124-L418 HydrophobicContact CE1-CD2 4.41Å; F124-L418 HydrophobicContact CZ-CD2 4.22Å; Q414-L418 PolarHBondContact O-N 3.43Å; I415-L418 WeakPolarHBondContact O-CB 3.18Å; I415-L418 PolarHBondContact O-N 3.41Å; I415-L418 VanDerWaalsContact O-N 3.08Å; A416-L418 VanDerWaalsContact C-N 3.34Å; A416-L418 PolarHBondContact O-N 3.37Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 2.94Å; L418-C421 WeakPolarHBondContact O-CB 3.37Å; L418-C421 PolarHBondContact O-N 3.47Å; L418-C421 VanDerWaalsContact O-N 3.15Å; L418-C422 PolarHBondContact O-N 2.82Å; L418-C422 PolarHBondContact O-SG 3.35Å |
| 419 | V | 97.3 | Very high | 94 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 14% | 0.139 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 173.3 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | L84 I415 A416 C421 C422 I423 | L84-V419 HydrophobicContact CD1-CG1 4.04Å; L84-V419 HydrophobicContact CD1-CG2 4.21Å; I415-V419 HydrophobicContact CG2-CG2 4.28Å; I415-V419 WeakPolarHBondContact O-CG2 3.14Å; I415-V419 PolarHBondContact O-N 2.91Å; A416-V419 PolarHBondContact O-N 2.91Å; V419-C421 VanDerWaalsContact C-N 3.34Å; V419-C421 PolarHBondContact O-N 3.28Å; V419-C422 WeakPolarHBondContact O-CB 3.33Å; V419-C422 PolarHBondContact O-N 3Å; V419-I423 HydrophobicContact CG1-CD1 4.31Å; V419-I423 PolarHBondContact O-N 3.2Å |
| 420 | S | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | G87 A91 A416 S417 L418 C422 I423 L424 | G87-S420 WeakPolarHBondContact O-CB 3.43Å; A91-S420 WeakPolarHBondContact CA-OG 3.44Å; A91-S420 PolarHBondContact N-OG 3.3Å; A416-S420 WeakPolarHBondContact O-CB 3.35Å; A416-S420 PolarHBondContact O-N 3.25Å; S417-S420 WeakPolarHBondContact O-CB 3.48Å; S417-S420 PolarHBondContact O-N 3.11Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 2.94Å; S420-C422 VanDerWaalsContact C-N 3.34Å; S420-C422 PolarHBondContact O-N 2.96Å; S420-I423 PolarHBondContact O-N 2.75Å; S420-L424 WeakPolarHBondContact O-CB 3.31Å; S420-L424 WeakPolarHBondContact O-CG 3.39Å; S420-L424 PolarHBondContact O-N 3.38Å |
| 421 | C | 97.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 175.4 | -71.7 | 0 | 0 | 0 | 0 | 112.8 | F117 L121 S417 L418 V419 I423 L424 L425 | F117-C421 HydrophobicContact CD2-CB 3.81Å; F117-C421 WeakPolarHBondContact CD2-O 3.37Å; F117-C421 HydrophobicContact CE2-CB 3.86Å; F117-C421 WeakPolarHBondContact CE2-O 3.36Å; F117-C421 PolarHBondContact O-SG 3.27Å; F117-C421 VanDerWaalsContact O-SG 3.34Å; L121-C421 HydrophobicContact CD1-CB 4.48Å; S417-C421 PolarHBondContact O-N 3.41Å; S417-C421 PolarHBondContact O-SG 2.96Å; L418-C421 WeakPolarHBondContact O-CB 3.37Å; L418-C421 PolarHBondContact O-N 3.47Å; L418-C421 VanDerWaalsContact O-N 3.15Å; V419-C421 VanDerWaalsContact C-N 3.34Å; V419-C421 PolarHBondContact O-N 3.28Å; C421-I423 VanDerWaalsContact C-N 3.34Å; C421-I423 PolarHBondContact O-N 3.48Å; C421-L424 PolarHBondContact O-N 3.32Å; C421-L425 WeakPolarHBondContact O-CB 3.14Å; C421-L425 PolarHBondContact O-N 2.93Å |
| 422 | C | 96.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 31.6 Ų | 31.6 | 55% | 0.547 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 176 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | L418 V419 S420 L425 L426 | L418-C422 PolarHBondContact O-N 2.82Å; L418-C422 PolarHBondContact O-SG 3.35Å; V419-C422 WeakPolarHBondContact O-CB 3.33Å; V419-C422 PolarHBondContact O-N 3Å; S420-C422 VanDerWaalsContact C-N 3.34Å; S420-C422 PolarHBondContact O-N 2.96Å; C422-L425 PolarHBondContact O-N 3.01Å; C422-L426 PolarHBondContact O-N 3.48Å |
| 423 | I | 95.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 35 Ų | 35 | 25% | 0.251 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.6 | -44 | 177.2 | -61.9 | 166.8 | 0 | 0 | 0 | 110.4 | L88 A91 V419 S420 C421 L425 L426 V427 | L88-I423 HydrophobicContact CB-CD1 4.35Å; L88-I423 HydrophobicContact CD1-CD1 3.82Å; A91-I423 HydrophobicContact CB-CB 3.69Å; A91-I423 HydrophobicContact CB-CD1 3.76Å; A91-I423 HydrophobicContact CB-CG1 4.33Å; A91-I423 HydrophobicContact CB-CG2 3.61Å; V419-I423 HydrophobicContact CG1-CD1 4.31Å; V419-I423 PolarHBondContact O-N 3.2Å; S420-I423 PolarHBondContact O-N 2.75Å; C421-I423 VanDerWaalsContact C-N 3.34Å; C421-I423 PolarHBondContact O-N 3.48Å; I423-L425 VanDerWaalsContact C-N 3.29Å; I423-L425 PolarHBondContact O-N 3.27Å; I423-L426 WeakPolarHBondContact O-CB 3.26Å; I423-L426 PolarHBondContact O-N 2.86Å; I423-L426 VanDerWaalsContact O-N 3.14Å; I423-V427 HydrophobicContact CG2-CG2 4.42Å; I423-V427 VanDerWaalsContact O-CG2 3.25Å; I423-V427 WeakPolarHBondContact O-CG2 3.42Å; I423-V427 PolarHBondContact O-N 3.04Å |
| 424 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 176.3 | -73.9 | 170.3 | 0 | 0 | 0 | 112.2 | H94 I95 L113 S116 F117 S420 C421 L426 V427 I428 | H94-L424 HydrophobicContact CB-CD1 4.02Å; H94-L424 HydrophobicContact CB-CD2 4.14Å; I95-L424 HydrophobicContact CG1-CD2 3.69Å; L113-L424 HydrophobicContact CD2-CD2 4.49Å; S116-L424 VanDerWaalsContact O-CD1 3.28Å; S116-L424 WeakPolarHBondContact O-CD1 3.23Å; F117-L424 HydrophobicContact CB-CB 4.41Å; F117-L424 HydrophobicContact CB-CD1 4.46Å; F117-L424 HydrophobicContact CD2-CB 4.32Å; S420-L424 WeakPolarHBondContact O-CB 3.31Å; S420-L424 WeakPolarHBondContact O-CG 3.39Å; S420-L424 PolarHBondContact O-N 3.38Å; C421-L424 PolarHBondContact O-N 3.32Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 3.42Å; L424-V427 PolarHBondContact O-N 3.47Å; L424-I428 WeakPolarHBondContact O-CB 3.43Å; L424-I428 WeakPolarHBondContact O-CD1 3.49Å; L424-I428 VanDerWaalsContact O-CG1 3.23Å; L424-I428 WeakPolarHBondContact O-CG1 3.36Å; L424-I428 PolarHBondContact O-N 3.47Å |
| 425 | L | 94.2 | Very high | 91.3 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 33% | 0.33 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 174 | -177.8 | 64.3 | 0 | 0 | 0 | 111 | F117 L328 C421 C422 I423 I428 T429 | F117-L425 HydrophobicContact CE2-CB 3.97Å; F117-L425 HydrophobicContact CE2-CD1 4.42Å; F117-L425 HydrophobicContact CZ-CD1 4.25Å; L328-L425 HydrophobicContact CD1-CD1 4.09Å; L328-L425 HydrophobicContact CD2-CD1 3.79Å; L328-L425 HydrophobicContact CG-CD1 4.03Å; C421-L425 WeakPolarHBondContact O-CB 3.14Å; C421-L425 PolarHBondContact O-N 2.93Å; C422-L425 PolarHBondContact O-N 3.01Å; I423-L425 VanDerWaalsContact C-N 3.29Å; I423-L425 PolarHBondContact O-N 3.27Å; L425-I428 PolarHBondContact O-N 2.87Å; L425-T429 HydrophobicContact CD1-CG2 4.24Å; L425-T429 WeakPolarHBondContact O-CB 3.34Å; L425-T429 VanDerWaalsContact O-CG2 3.29Å; L425-T429 WeakPolarHBondContact O-CG2 3.31Å; L425-T429 PolarHBondContact O-N 2.93Å; L425-T429 PolarHBondContact O-OG1 2.93Å |
| 426 | L | 91.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 43.4 Ų | 43.4 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.2 | -176.2 | 151.9 | 0 | 0 | 0 | 111.4 | C422 I423 L424 T429 V430 I431 | C422-L426 PolarHBondContact O-N 3.48Å; I423-L426 WeakPolarHBondContact O-CB 3.26Å; I423-L426 PolarHBondContact O-N 2.86Å; I423-L426 VanDerWaalsContact O-N 3.14Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 3.42Å; L426-T429 PolarHBondContact O-N 2.86Å; L426-T429 PolarHBondContact O-OG1 3.17Å; L426-V430 HydrophobicContact CG-CG2 4.44Å; L426-V430 WeakPolarHBondContact O-CB 3.28Å; L426-V430 PolarHBondContact O-N 3.37Å; L426-I431 HydrophobicContact CD2-CD1 4.42Å |
| 427 | V | 90.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -62.5 | -46.8 | 177.8 | 175 | 0 | 0 | 0 | 0 | 111 | I95 I423 L424 T429 I431 G432 | I95-V427 HydrophobicContact CD1-CG1 4.45Å; I95-V427 HydrophobicContact CD1-CG2 3.63Å; I95-V427 HydrophobicContact CG1-CG1 4.32Å; I95-V427 HydrophobicContact CG1-CG2 4.16Å; I423-V427 HydrophobicContact CG2-CG2 4.42Å; I423-V427 VanDerWaalsContact O-CG2 3.25Å; I423-V427 WeakPolarHBondContact O-CG2 3.42Å; I423-V427 PolarHBondContact O-N 3.04Å; L424-V427 PolarHBondContact O-N 3.47Å; V427-T429 VanDerWaalsContact C-N 3.33Å; V427-T429 PolarHBondContact O-N 3.15Å; V427-I431 HydrophobicContact CB-CD1 4.41Å; V427-I431 HydrophobicContact CG1-CB 4.17Å; V427-I431 HydrophobicContact CG1-CD1 4.46Å; V427-I431 HydrophobicContact CG1-CG2 4.5Å; V427-I431 HydrophobicContact CG2-CD1 4.03Å; V427-I431 CarbonylContact O-C 3.56Å; V427-I431 WeakPolarHBondContact O-CA 3.33Å; V427-I431 WeakPolarHBondContact O-CB 3.46Å; V427-I431 PolarHBondContact O-N 3.44Å; V427-G432 PolarHBondContact O-N 3.31Å |
| 428 | I | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -64.9 | -37.2 | -179 | -71.8 | 163.1 | 0 | 0 | 0 | 111.6 | L113 Y114 F117 G327 L424 L425 | L113-I428 HydrophobicContact CB-CD1 4.42Å; L113-I428 HydrophobicContact CB-CG1 4.24Å; Y114-I428 HydrophobicContact CD1-CD1 4.01Å; Y114-I428 HydrophobicContact CD1-CG2 4.39Å; Y114-I428 HydrophobicContact CE1-CD1 4.39Å; Y114-I428 HydrophobicContact CE1-CG2 3.71Å; F117-I428 HydrophobicContact CB-CD1 4.17Å; F117-I428 HydrophobicContact CG-CD1 4.46Å; G327-I428 PolarHBondContact N-O 3.03Å; G327-I428 WeakPolarHBondContact O-CG2 3.29Å; L424-I428 WeakPolarHBondContact O-CB 3.43Å; L424-I428 WeakPolarHBondContact O-CD1 3.49Å; L424-I428 VanDerWaalsContact O-CG1 3.23Å; L424-I428 WeakPolarHBondContact O-CG1 3.36Å; L424-I428 PolarHBondContact O-N 3.47Å; L425-I428 PolarHBondContact O-N 2.87Å |
| 429 | T | 89 | Confident | 90.4 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -85.9 | -36.5 | -176.2 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | V326 L425 L426 V427 | V326-T429 WeakPolarHBondContact CG1-O 3.42Å; L425-T429 HydrophobicContact CD1-CG2 4.24Å; L425-T429 WeakPolarHBondContact O-CB 3.34Å; L425-T429 VanDerWaalsContact O-CG2 3.29Å; L425-T429 WeakPolarHBondContact O-CG2 3.31Å; L425-T429 PolarHBondContact O-N 2.93Å; L425-T429 PolarHBondContact O-OG1 2.93Å; L426-T429 PolarHBondContact O-N 2.86Å; L426-T429 PolarHBondContact O-OG1 3.17Å; V427-T429 VanDerWaalsContact C-N 3.33Å; V427-T429 PolarHBondContact O-N 3.15Å |
| 430 | V | 86.7 | Confident | 90.2 | Very high | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -106.5 | -43.7 | -173.5 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | L426 Q433 | L426-V430 HydrophobicContact CG-CG2 4.44Å; L426-V430 WeakPolarHBondContact O-CB 3.28Å; L426-V430 PolarHBondContact O-N 3.37Å; V430-Q433 PolarHBondContact O-NE2 3.24Å |
| 431 | I | 81.9 | Confident | 90.1 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 33% | 0.328 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -87.1 | -18 | -171.6 | -58.6 | 175.9 | 0 | 0 | 0 | 111.8 | L426 V427 Q433 F434 L435 | L426-I431 HydrophobicContact CD2-CD1 4.42Å; V427-I431 HydrophobicContact CB-CD1 4.41Å; V427-I431 HydrophobicContact CG1-CB 4.17Å; V427-I431 HydrophobicContact CG1-CD1 4.46Å; V427-I431 HydrophobicContact CG1-CG2 4.5Å; V427-I431 HydrophobicContact CG2-CD1 4.03Å; V427-I431 CarbonylContact O-C 3.56Å; V427-I431 WeakPolarHBondContact O-CA 3.33Å; V427-I431 WeakPolarHBondContact O-CB 3.46Å; V427-I431 PolarHBondContact O-N 3.44Å; I431-Q433 PolarHBondContact O-N 2.83Å; I431-F434 HydrophobicContact CG2-CD2 4.37Å; I431-F434 PolarHBondContact O-N 3.36Å; I431-L435 HydrophobicContact CG2-CD2 4.39Å; I431-L435 HydrophobicContact CG2-CG 4.47Å; I431-L435 PolarHBondContact O-N 3Å |
| 432 | G | 77.6 | Confident | 90 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -31.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V427 F434 L435 | V427-G432 PolarHBondContact O-N 3.31Å; G432-F434 PolarHBondContact O-N 3.35Å; G432-L435 PolarHBondContact O-N 3.38Å |
| 433 | Q | 82.7 | Confident | 89.9 | Confident | 109 Ų | 109 | 41.6 Ų | 41.6 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -36.9 | 174.8 | 62.5 | 178.4 | -26.2 | 0 | 0 | 113.9 | V430 I431 R436 | V430-Q433 PolarHBondContact O-NE2 3.24Å; I431-Q433 PolarHBondContact O-N 2.83Å; Q433-R436 WeakPolarHBondContact O-CG 3.36Å |
| 434 | F | 85.3 | Confident | 89.9 | Confident | 92 Ų | 92 | 39.5 Ų | 39.5 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -74.4 | -31.2 | -179.2 | -63.5 | -77 | 0 | 0 | 0 | 111.4 | T304 I431 G432 R436 T437 | T304-F434 VanDerWaalsContact CG2-O 3.27Å; T304-F434 WeakPolarHBondContact CG2-O 3.39Å; I431-F434 HydrophobicContact CG2-CD2 4.37Å; I431-F434 PolarHBondContact O-N 3.36Å; G432-F434 PolarHBondContact O-N 3.35Å; F434-R436 PolarHBondContact O-N 3.43Å; F434-R436 VanDerWaalsContact O-N 3.09Å; F434-T437 PolarHBondContact O-N 2.99Å; F434-T437 PolarHBondContact O-OG1 2.89Å |
| 435 | L | 85.3 | Confident | 90 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -63 | -17.5 | -179.2 | -58.6 | -176.6 | 0 | 0 | 0 | 113.5 | M99 L113 I324 I431 G432 T437 V438 | M99-L435 HydrophobicContact CE-CB 4.12Å; M99-L435 HydrophobicContact CE-CD1 4.12Å; M99-L435 HydrophobicContact CE-CD2 3.95Å; M99-L435 HydrophobicContact CE-CG 4.28Å; M99-L435 HydrophobicContact SD-CD1 3.94Å; M99-L435 HydrophobicContact SD-CD2 3.76Å; M99-L435 HydrophobicContact SD-CG 4.38Å; L113-L435 HydrophobicContact CD1-CD1 3.59Å; I324-L435 VanDerWaalsContact CD1-C 3.49Å; I324-L435 HydrophobicContact CD1-CB 3.58Å; I431-L435 HydrophobicContact CG2-CD2 4.39Å; I431-L435 HydrophobicContact CG2-CG 4.47Å; I431-L435 PolarHBondContact O-N 3Å; G432-L435 PolarHBondContact O-N 3.38Å; L435-T437 PolarHBondContact O-N 3.11Å; L435-V438 HydrophobicContact CB-CG2 4.4Å; L435-V438 HydrophobicContact CD2-CG2 4.25Å; L435-V438 WeakPolarHBondContact O-CB 3.48Å; L435-V438 WeakPolarHBondContact O-CG2 3.43Å; L435-V438 PolarHBondContact O-N 3.14Å |
| 436 | R | 86.9 | Confident | 90 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 41% | 0.411 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -60 | -31 | 177.2 | -63.4 | -179 | 178 | 179.7 | -1.6 | 113.4 | G322 I324 Q433 F434 | G322-R436 PolarHBondContact N-O 3.39Å; G322-R436 VanDerWaalsContact N-O 3.1Å; G322-R436 VanDerWaalsContact O-CA 3.24Å; G322-R436 WeakPolarHBondContact O-CA 3.28Å; G322-R436 VanDerWaalsContact O-CB 3.31Å; G322-R436 WeakPolarHBondContact O-CB 3.48Å; G322-R436 WeakPolarHBondContact O-CG 3.5Å; I324-R436 HydrophobicContact CB-CG 4.21Å; I324-R436 HydrophobicContact CD1-CG 4.46Å; I324-R436 HydrophobicContact CG1-CG 4.37Å; I324-R436 PolarHBondContact O-NE 2.97Å; I324-R436 PolarHBondContact O-NH2 3.33Å; Q433-R436 WeakPolarHBondContact O-CG 3.36Å; F434-R436 PolarHBondContact O-N 3.43Å; F434-R436 VanDerWaalsContact O-N 3.09Å |
| 437 | T | 91.2 | Very high | 90 | Very high | 36 Ų | 36 | 31.9 Ų | 31.9 | 22% | 0.221 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -92.1 | 0.1 | -175.9 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | T304 S307 K308 F434 L435 P439 | T304-T437 WeakPolarHBondContact CG2-OG1 3.33Å; S307-T437 WeakPolarHBondContact CB-O 3.23Å; S307-T437 PolarHBondContact OG-O 2.93Å; K308-T437 HydrophobicContact CB-CG2 4.36Å; F434-T437 PolarHBondContact O-N 2.99Å; F434-T437 PolarHBondContact O-OG1 2.89Å; L435-T437 PolarHBondContact O-N 3.11Å; T437-P439 WeakPolarHBondContact O-CD 3.4Å |
| 438 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -61.3 | 126.7 | -179.1 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | M99 L300 T304 I320 V321 L435 L443 | M99-V438 HydrophobicContact CE-CG2 4.13Å; L300-V438 HydrophobicContact CD1-CG1 3.69Å; L300-V438 HydrophobicContact CD1-CG2 4.22Å; T304-V438 HydrophobicContact CG2-CG2 4.11Å; T304-V438 VanDerWaalsContact OG1-CG2 3.23Å; T304-V438 WeakPolarHBondContact OG1-CG2 3.29Å; I320-V438 WeakPolarHBondContact CA-O 3.46Å; V321-V438 HydrophobicContact CG2-CB 3.91Å; V321-V438 HydrophobicContact CG2-CG1 4.16Å; V321-V438 WeakPolarHBondContact CG2-O 3.41Å; V321-V438 PolarHBondContact N-O 3.34Å; L435-V438 HydrophobicContact CB-CG2 4.4Å; L435-V438 HydrophobicContact CD2-CG2 4.25Å; L435-V438 WeakPolarHBondContact O-CB 3.48Å; L435-V438 WeakPolarHBondContact O-CG2 3.43Å; L435-V438 PolarHBondContact O-N 3.14Å; V438-L443 HydrophobicContact CG1-CD1 4.16Å; V438-L443 HydrophobicContact CG1-CD2 4.37Å; V438-L443 HydrophobicContact CG1-CG 4.05Å | ||
| 439 | P | 94.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 132.6 | 171 | -19.8 | 32.7 | 0 | 0 | 0 | 111.4 | V318 T437 C441 V442 | V318-P439 HydrophobicContact CG1-CB 4.04Å; T437-P439 WeakPolarHBondContact O-CD 3.4Å; P439-C441 PolarHBondContact O-N 2.83Å; P439-V442 HydrophobicContact CB-CG2 4Å; P439-V442 HydrophobicContact CG-CG2 4.13Å; P439-V442 PolarHBondContact O-N 3.11Å |
| 440 | K | 92.5 | Very high | 90.3 | Very high | 94 Ų | 94 | 31 Ų | 31 | 41% | 0.409 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.3 | -31.7 | 178 | -67.6 | -178.4 | 176.2 | 174.2 | 0 | 112.2 | S319 I320 V442 L443 S444 | S319-K440 PolarHBondContact O-N 3Å; I320-K440 VanDerWaalsContact O-CE 3.25Å; I320-K440 WeakPolarHBondContact O-CE 3.21Å; K440-V442 VanDerWaalsContact C-N 3.27Å; K440-V442 PolarHBondContact O-N 3.44Å; K440-L443 WeakPolarHBondContact O-CB 3.35Å; K440-L443 PolarHBondContact O-N 2.83Å; K440-L443 VanDerWaalsContact O-N 3.13Å; K440-S444 PolarHBondContact O-N 2.75Å |
| 441 | C | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -30 | 178 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | G230 T263 P439 S444 S445 | G230-C441 WeakPolarHBondContact O-CA 3.28Å; G230-C441 WeakPolarHBondContact O-CB 3.47Å; T263-C441 HydrophobicContact CG2-CB 3.49Å; T263-C441 VanDerWaalsContact CG2-CB 3.49Å; P439-C441 PolarHBondContact O-N 2.83Å; C441-S444 PolarHBondContact O-N 3.24Å; C441-S445 WeakPolarHBondContact O-CB 3.29Å; C441-S445 PolarHBondContact O-N 2.77Å; C441-S445 PolarHBondContact O-OG 3Å |
| 442 | V | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 110 | I266 V299 L300 P439 K440 S445 I446 | I266-V442 HydrophobicContact CG2-CG2 4.21Å; V299-V442 HydrophobicContact CG1-CG1 4.13Å; L300-V442 HydrophobicContact CD1-CG1 4.43Å; P439-V442 HydrophobicContact CB-CG2 4Å; P439-V442 HydrophobicContact CG-CG2 4.13Å; P439-V442 PolarHBondContact O-N 3.11Å; K440-V442 VanDerWaalsContact C-N 3.27Å; K440-V442 PolarHBondContact O-N 3.44Å; V442-S445 WeakPolarHBondContact O-CB 3.33Å; V442-S445 PolarHBondContact O-N 3.18Å; V442-I446 HydrophobicContact CG1-CD1 4.34Å; V442-I446 WeakPolarHBondContact O-CG1 3.23Å; V442-I446 PolarHBondContact O-N 3.33Å |
| 443 | L | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 175.6 | -62.4 | 174.7 | 0 | 0 | 0 | 111.3 | M99 V103 P109 L300 V321 V438 K440 S445 I446 I447 | M99-L443 HydrophobicContact CB-CD2 3.78Å; V103-L443 HydrophobicContact CG2-CD1 3.73Å; P109-L443 HydrophobicContact CB-CD1 4.31Å; P109-L443 HydrophobicContact CG-CD1 3.76Å; L300-L443 HydrophobicContact CD1-CD2 3.95Å; V321-L443 HydrophobicContact CG2-CD1 3.99Å; V438-L443 HydrophobicContact CG1-CD1 4.16Å; V438-L443 HydrophobicContact CG1-CD2 4.37Å; V438-L443 HydrophobicContact CG1-CG 4.05Å; K440-L443 WeakPolarHBondContact O-CB 3.35Å; K440-L443 PolarHBondContact O-N 2.83Å; K440-L443 VanDerWaalsContact O-N 3.13Å; L443-S445 VanDerWaalsContact C-N 3.26Å; L443-S445 PolarHBondContact O-N 3.06Å; L443-I446 WeakPolarHBondContact O-CB 3.49Å; L443-I446 PolarHBondContact O-N 2.53Å; L443-I447 WeakPolarHBondContact O-CG1 3.25Å; L443-I447 PolarHBondContact O-N 2.59Å |
| 444 | S | 94.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.4 | -36 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | Q227 K440 C441 I447 V448 | Q227-S444 PolarHBondContact OE1-OG 3.34Å; K440-S444 PolarHBondContact O-N 2.75Å; C441-S444 PolarHBondContact O-N 3.24Å; S444-I447 PolarHBondContact O-N 2.94Å; S444-V448 WeakPolarHBondContact O-CG2 3.17Å; S444-V448 PolarHBondContact O-N 3.34Å |
| 445 | S | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 174.6 | -57.7 | 0 | 0 | 0 | 0 | 112 | S267 C441 V442 L443 I447 V448 V449 | S267-S445 WeakPolarHBondContact CA-OG 3.48Å; S267-S445 PolarHBondContact O-OG 3.43Å; C441-S445 WeakPolarHBondContact O-CB 3.29Å; C441-S445 PolarHBondContact O-N 2.77Å; C441-S445 PolarHBondContact O-OG 3Å; V442-S445 WeakPolarHBondContact O-CB 3.33Å; V442-S445 PolarHBondContact O-N 3.18Å; L443-S445 VanDerWaalsContact C-N 3.26Å; L443-S445 PolarHBondContact O-N 3.06Å; S445-I447 VanDerWaalsContact C-N 3.32Å; S445-I447 PolarHBondContact O-N 3.39Å; S445-V448 PolarHBondContact O-N 3.13Å; S445-V449 WeakPolarHBondContact O-CG2 3.18Å; S445-V449 PolarHBondContact O-N 2.94Å; S445-V449 VanDerWaalsContact O-N 3.09Å |
| 446 | I | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.9 | -68.4 | 165 | 0 | 0 | 0 | 110.7 | P96 A100 I274 E296 L300 V442 L443 S450 | P96-I446 HydrophobicContact CB-CD1 4.23Å; A100-I446 HydrophobicContact CB-CB 4.32Å; A100-I446 HydrophobicContact CB-CG2 3.87Å; I274-I446 HydrophobicContact CD1-CG1 3.86Å; E296-I446 HydrophobicContact CB-CD1 4.47Å; E296-I446 HydrophobicContact CB-CG1 4.47Å; E296-I446 HydrophobicContact CG-CG2 4.27Å; L300-I446 HydrophobicContact CB-CD1 4.46Å; V442-I446 HydrophobicContact CG1-CD1 4.34Å; V442-I446 WeakPolarHBondContact O-CG1 3.23Å; V442-I446 PolarHBondContact O-N 3.33Å; L443-I446 WeakPolarHBondContact O-CB 3.49Å; L443-I446 PolarHBondContact O-N 2.53Å; I446-S450 WeakPolarHBondContact O-CB 3Å; I446-S450 PolarHBondContact O-N 3.31Å; I446-S450 PolarHBondContact O-OG 2.85Å |
| 447 | I | 92 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 176.8 | -63.7 | 165.1 | 0 | 0 | 0 | 109.8 | A100 L104 V223 Q227 L443 S444 S445 V449 S450 L451 | A100-I447 HydrophobicContact CB-CD1 4.45Å; A100-I447 HydrophobicContact CB-CG1 3.82Å; A100-I447 WeakPolarHBondContact O-CD1 3.41Å; L104-I447 HydrophobicContact CB-CD1 4.14Å; L104-I447 HydrophobicContact CD1-CD1 4.2Å; L104-I447 HydrophobicContact CD1-CG2 3.89Å; L104-I447 HydrophobicContact CD2-CG2 4.14Å; V223-I447 HydrophobicContact CG1-CG2 4.19Å; Q227-I447 HydrophobicContact CG-CB 4.2Å; Q227-I447 HydrophobicContact CG-CD1 4.46Å; Q227-I447 HydrophobicContact CG-CG2 3.73Å; L443-I447 WeakPolarHBondContact O-CG1 3.25Å; L443-I447 PolarHBondContact O-N 2.59Å; S444-I447 PolarHBondContact O-N 2.94Å; S445-I447 VanDerWaalsContact C-N 3.32Å; S445-I447 PolarHBondContact O-N 3.39Å; I447-V449 PolarHBondContact O-N 3.32Å; I447-S450 CarbonylContact O-C 3.58Å; I447-S450 WeakPolarHBondContact O-CA 3.48Å; I447-S450 WeakPolarHBondContact O-CB 3.42Å; I447-S450 PolarHBondContact O-N 3.01Å; I447-L451 HydrophobicContact CG2-CD1 4.44Å; I447-L451 HydrophobicContact CG2-CG 4.33Å; I447-L451 WeakPolarHBondContact O-CG 3.39Å; I447-L451 PolarHBondContact O-N 3.46Å |
| 448 | V | 94.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.7 | -46 | -176.9 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | F224 Q227 L231 I271 S444 S445 S450 L451 | F224-V448 HydrophobicContact CD2-CG1 4.21Å; F224-V448 HydrophobicContact CD2-CG2 4.22Å; F224-V448 HydrophobicContact CE2-CG1 3.9Å; F224-V448 HydrophobicContact CE2-CG2 4.33Å; Q227-V448 HydrophobicContact CB-CG2 4.12Å; Q227-V448 HydrophobicContact CG-CG2 4.47Å; L231-V448 HydrophobicContact CD1-CG2 3.89Å; L231-V448 HydrophobicContact CD2-CG2 4.24Å; L231-V448 HydrophobicContact CG-CG2 4.41Å; I271-V448 HydrophobicContact CD1-CG1 4.27Å; S444-V448 WeakPolarHBondContact O-CG2 3.17Å; S444-V448 PolarHBondContact O-N 3.34Å; S445-V448 PolarHBondContact O-N 3.13Å; V448-S450 VanDerWaalsContact C-N 3.26Å; V448-S450 PolarHBondContact O-N 3.28Å; V448-L451 WeakPolarHBondContact O-CB 3.17Å; V448-L451 PolarHBondContact O-N 3.44Å |
| 449 | V | 93.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.7 | -26.4 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | I271 I274 K278 S445 I447 E452 | I271-V449 HydrophobicContact CB-CG2 4.35Å; I271-V449 HydrophobicContact CG1-CG2 4.29Å; I271-V449 HydrophobicContact CG2-CG2 4.07Å; I274-V449 HydrophobicContact CB-CB 4.5Å; I274-V449 HydrophobicContact CB-CG1 4.25Å; I274-V449 HydrophobicContact CB-CG2 4.23Å; I274-V449 HydrophobicContact CG2-CB 3.97Å; I274-V449 HydrophobicContact CG2-CG1 3.51Å; I274-V449 HydrophobicContact CG2-CG2 4.25Å; K278-V449 HydrophobicContact CD-CG1 4.14Å; K278-V449 PolarHBondContact NZ-O 3.07Å; S445-V449 WeakPolarHBondContact O-CG2 3.18Å; S445-V449 PolarHBondContact O-N 2.94Å; S445-V449 VanDerWaalsContact O-N 3.09Å; I447-V449 PolarHBondContact O-N 3.32Å; V449-E452 WeakPolarHBondContact O-CB 3.3Å |
| 450 | S | 88 | Confident | 91.9 | Very high | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.2 | -30.9 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | Y101 I446 I447 V448 E452 S453 | Y101-S450 WeakPolarHBondContact OH-CB 3.33Å; I446-S450 WeakPolarHBondContact O-CB 3Å; I446-S450 PolarHBondContact O-N 3.31Å; I446-S450 PolarHBondContact O-OG 2.85Å; I447-S450 CarbonylContact O-C 3.58Å; I447-S450 WeakPolarHBondContact O-CA 3.48Å; I447-S450 WeakPolarHBondContact O-CB 3.42Å; I447-S450 PolarHBondContact O-N 3.01Å; V448-S450 VanDerWaalsContact C-N 3.26Å; V448-S450 PolarHBondContact O-N 3.28Å; S450-E452 PolarHBondContact O-N 2.9Å; S450-S453 PolarHBondContact O-OG 3.31Å |
| 451 | L | 89.8 | Confident | 91.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -25.2 | 176.5 | -65.2 | -179.3 | 0 | 0 | 0 | 112.7 | A220 V223 F224 I447 V448 S453 I454 F455 | A220-L451 HydrophobicContact CB-CD2 4.03Å; V223-L451 HydrophobicContact CB-CD1 4.38Å; V223-L451 HydrophobicContact CG1-CD1 3.94Å; V223-L451 HydrophobicContact CG1-CD2 4.22Å; F224-L451 HydrophobicContact CB-CD1 3.89Å; I447-L451 HydrophobicContact CG2-CD1 4.44Å; I447-L451 HydrophobicContact CG2-CG 4.33Å; I447-L451 WeakPolarHBondContact O-CG 3.39Å; I447-L451 PolarHBondContact O-N 3.46Å; V448-L451 WeakPolarHBondContact O-CB 3.17Å; V448-L451 PolarHBondContact O-N 3.44Å; L451-S453 VanDerWaalsContact C-N 3.28Å; L451-S453 PolarHBondContact O-N 3.04Å; L451-I454 HydrophobicContact CD2-CD1 4.1Å; L451-I454 CarbonylContact O-C 3.59Å; L451-I454 WeakPolarHBondContact O-CA 3.47Å; L451-I454 WeakPolarHBondContact O-CB 3.36Å; L451-I454 PolarHBondContact O-N 3.44Å; L451-F455 HydrophobicContact CB-CD2 4.02Å; L451-F455 HydrophobicContact CB-CE2 3.76Å; L451-F455 HydrophobicContact CD1-CE2 4.32Å; L451-F455 WeakPolarHBondContact O-CD2 3.47Å; L451-F455 PolarHBondContact O-N 3.19Å |
| 452 | E | 91 | Very high | 91.9 | Very high | 42 Ų | 42 | 41.6 Ų | 41.6 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51 | -45.9 | 176.8 | -178.3 | -172.1 | -148 | 0 | 0 | 112.5 | W275 K278 H279 V449 S450 I454 F455 L456 | W275-E452 PolarHBondContact NE1-OE1 2.92Å; K278-E452 IonicContact NZ-OE2 3.29Å; K278-E452 PolarHBondContact NZ-OE2 3.42Å; H279-E452 IonicContact CD2-OE1 3.47Å; H279-E452 IonicContact CD2-OE2 3.03Å; H279-E452 IonicContact CE1-OE1 3.22Å; H279-E452 PolarHBondContact CE1-OE1 2.84Å; H279-E452 IonicContact CE1-OE2 2.82Å; H279-E452 IonicContact NE2-OE1 2.69Å; H279-E452 PolarHBondContact NE2-OE1 3.42Å; H279-E452 IonicContact NE2-OE2 2.77Å; H279-E452 PolarHBondContact NE2-OE2 3.33Å; V449-E452 WeakPolarHBondContact O-CB 3.3Å; S450-E452 PolarHBondContact O-N 2.9Å; E452-I454 PolarHBondContact O-N 2.97Å; E452-F455 PolarHBondContact O-N 2.88Å; E452-L456 HydrophobicContact CG-CD1 4.35Å; E452-L456 WeakPolarHBondContact O-CG 3.28Å; E452-L456 PolarHBondContact O-N 3.07Å |
| 453 | S | 84.8 | Confident | 91.8 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -23.1 | 178.7 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | S450 L451 | S450-S453 PolarHBondContact O-OG 3.31Å; L451-S453 VanDerWaalsContact C-N 3.28Å; L451-S453 PolarHBondContact O-N 3.04Å |
| 454 | I | 87.9 | Confident | 91.8 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -82.6 | -41.7 | 175.7 | -56.7 | 173.8 | 0 | 0 | 0 | 109.5 | V139 T216 A220 L451 E452 L456 Q457 | V139-I454 HydrophobicContact CG2-CD1 4.33Å; T216-I454 WeakPolarHBondContact O-CG2 3.21Å; A220-I454 HydrophobicContact CB-CB 4.24Å; A220-I454 HydrophobicContact CB-CG2 3.83Å; L451-I454 HydrophobicContact CD2-CD1 4.1Å; L451-I454 CarbonylContact O-C 3.59Å; L451-I454 WeakPolarHBondContact O-CA 3.47Å; L451-I454 WeakPolarHBondContact O-CB 3.36Å; L451-I454 PolarHBondContact O-N 3.44Å; E452-I454 PolarHBondContact O-N 2.97Å; I454-L456 VanDerWaalsContact C-N 3.29Å; I454-L456 PolarHBondContact O-N 3.2Å; I454-Q457 WeakPolarHBondContact O-CB 3.37Å; I454-Q457 VanDerWaalsContact O-CG 3.25Å; I454-Q457 WeakPolarHBondContact O-CG 3.31Å; I454-Q457 PolarHBondContact O-N 3.47Å; I454-Q457 VanDerWaalsContact O-N 3.16Å; I454-Q457 PolarHBondContact O-OE1 2.88Å |
| 455 | F | 92.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 175.5 | -74.3 | -55.8 | 0 | 0 | 0 | 112.9 | A220 V221 F224 L451 E452 Q457 I458 | A220-F455 HydrophobicContact CB-CD1 4.24Å; A220-F455 HydrophobicContact CB-CE1 3.74Å; A220-F455 HydrophobicContact CB-CE2 4.22Å; A220-F455 HydrophobicContact CB-CZ 3.74Å; V221-F455 HydrophobicContact CG2-CE1 3.71Å; V221-F455 HydrophobicContact CG2-CZ 4.42Å; F224-F455 HydrophobicContact CB-CE2 4.45Å; F224-F455 HydrophobicContact CB-CZ 4.18Å; L451-F455 HydrophobicContact CB-CD2 4.02Å; L451-F455 HydrophobicContact CB-CE2 3.76Å; L451-F455 HydrophobicContact CD1-CE2 4.32Å; L451-F455 WeakPolarHBondContact O-CD2 3.47Å; L451-F455 PolarHBondContact O-N 3.19Å; E452-F455 PolarHBondContact O-N 2.88Å; F455-Q457 PolarHBondContact O-N 3.26Å; F455-Q457 VanDerWaalsContact O-N 3.07Å; F455-I458 WeakPolarHBondContact O-CB 3.35Å; F455-I458 WeakPolarHBondContact O-CG2 3.39Å; F455-I458 PolarHBondContact O-N 2.84Å |
| 456 | L | 89.8 | Confident | 91.8 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -60.4 | -17.5 | 176.8 | -73.1 | 172.5 | 0 | 0 | 0 | 113.4 | E452 I454 I458 M459 | E452-L456 HydrophobicContact CG-CD1 4.35Å; E452-L456 WeakPolarHBondContact O-CG 3.28Å; E452-L456 PolarHBondContact O-N 3.07Å; I454-L456 VanDerWaalsContact C-N 3.29Å; I454-L456 PolarHBondContact O-N 3.2Å; L456-I458 PolarHBondContact O-N 3.22Å; L456-I458 VanDerWaalsContact O-N 3.14Å; L456-M459 HydrophobicContact CD2-SD 3.6Å; L456-M459 VanDerWaalsContact CD2-SD 3.6Å; L456-M459 VanDerWaalsContact O-CB 3.26Å; L456-M459 WeakPolarHBondContact O-CB 3.25Å; L456-M459 WeakPolarHBondContact O-CG 3.49Å; L456-M459 PolarHBondContact O-N 2.91Å |
| 457 | Q | 88.8 | Confident | 91.8 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -60.5 | -19.6 | 171.3 | -64.1 | 178.6 | -38.5 | 0 | 0 | 113.1 | S213 T216 I454 F455 M459 D460 | S213-Q457 PolarHBondContact O-OE1 2.89Å; S213-Q457 WeakPolarHBondContact OG-CB 3.36Å; T216-Q457 PolarHBondContact OG1-OE1 2.88Å; I454-Q457 WeakPolarHBondContact O-CB 3.37Å; I454-Q457 VanDerWaalsContact O-CG 3.25Å; I454-Q457 WeakPolarHBondContact O-CG 3.31Å; I454-Q457 PolarHBondContact O-N 3.47Å; I454-Q457 VanDerWaalsContact O-N 3.16Å; I454-Q457 PolarHBondContact O-OE1 2.88Å; F455-Q457 PolarHBondContact O-N 3.26Å; F455-Q457 VanDerWaalsContact O-N 3.07Å; Q457-M459 PolarHBondContact O-N 3.41Å; Q457-D460 VanDerWaalsContact O-CB 3.26Å; Q457-D460 WeakPolarHBondContact O-CB 3.25Å; Q457-D460 PolarHBondContact O-N 3.21Å |
| 458 | I | 93.3 | Very high | 91.9 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 43% | 0.431 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.8 | 171.4 | -160.1 | 162.8 | 0 | 0 | 0 | 112.3 | F455 L456 D460 L461 W475 | F455-I458 WeakPolarHBondContact O-CB 3.35Å; F455-I458 WeakPolarHBondContact O-CG2 3.39Å; F455-I458 PolarHBondContact O-N 2.84Å; L456-I458 PolarHBondContact O-N 3.22Å; L456-I458 VanDerWaalsContact O-N 3.14Å; I458-D460 PolarHBondContact O-N 3.26Å; I458-L461 HydrophobicContact CG1-CD1 3.8Å; I458-L461 VanDerWaalsContact O-CB 3.29Å; I458-L461 WeakPolarHBondContact O-CB 3.37Å; I458-L461 PolarHBondContact O-N 3.22Å; I458-W475 HydrophobicContact CB-CH2 4.31Å; I458-W475 HydrophobicContact CB-CZ2 4.31Å; I458-W475 HydrophobicContact CD1-CH2 4.23Å; I458-W475 HydrophobicContact CG1-CH2 3.76Å; I458-W475 HydrophobicContact CG1-CZ2 4.22Å |
| 459 | M | 92 | Very high | 91.9 | Very high | 131 Ų | 131 | 69.2 Ų | 69.2 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -70.8 | -22.2 | 176.7 | -60.4 | 179.9 | 63.6 | 0 | 0 | 112 | L456 Q457 L461 R462 | L456-M459 HydrophobicContact CD2-SD 3.6Å; L456-M459 VanDerWaalsContact CD2-SD 3.6Å; L456-M459 VanDerWaalsContact O-CB 3.26Å; L456-M459 WeakPolarHBondContact O-CB 3.25Å; L456-M459 WeakPolarHBondContact O-CG 3.49Å; L456-M459 PolarHBondContact O-N 2.91Å; Q457-M459 PolarHBondContact O-N 3.41Å; M459-L461 PolarHBondContact O-N 3.37Å; M459-R462 PolarHBondContact O-N 2.93Å |
| 460 | D | 88.7 | Confident | 92 | Very high | 78 Ų | 78 | 73 Ų | 73 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.6 | -22.1 | 176.5 | -60.1 | -27 | 0 | 0 | 0 | 111.6 | Q457 I458 R462 A463 L464 | Q457-D460 VanDerWaalsContact O-CB 3.26Å; Q457-D460 WeakPolarHBondContact O-CB 3.25Å; Q457-D460 PolarHBondContact O-N 3.21Å; I458-D460 PolarHBondContact O-N 3.26Å; D460-R462 PolarHBondContact O-N 2.8Å; D460-R462 VanDerWaalsContact O-N 3.12Å; D460-A463 WeakPolarHBondContact O-CA 3.27Å; D460-A463 WeakPolarHBondContact O-CB 3.28Å; D460-A463 PolarHBondContact O-N 3.31Å; D460-L464 WeakPolarHBondContact O-CG 2.97Å; D460-L464 PolarHBondContact O-N 2.99Å |
| 461 | L | 93.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 18% | 0.183 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -50.9 | -38.3 | 174.7 | -83.5 | 171.1 | 0 | 0 | 0 | 113 | I458 M459 L464 Y465 M472 W475 L476 | I458-L461 HydrophobicContact CG1-CD1 3.8Å; I458-L461 VanDerWaalsContact O-CB 3.29Å; I458-L461 WeakPolarHBondContact O-CB 3.37Å; I458-L461 PolarHBondContact O-N 3.22Å; M459-L461 PolarHBondContact O-N 3.37Å; L461-L464 PolarHBondContact O-N 3.36Å; L461-Y465 WeakPolarHBondContact O-CB 3.29Å; L461-Y465 PolarHBondContact O-N 2.92Å; L461-M472 HydrophobicContact CD2-CG 3.7Å; L461-W475 HydrophobicContact CD1-CE3 3.92Å; L461-W475 HydrophobicContact CD1-CH2 3.88Å; L461-W475 HydrophobicContact CD1-CZ2 4.45Å; L461-W475 HydrophobicContact CD1-CZ3 3.58Å; L461-W475 HydrophobicContact CD2-CB 4.36Å; L461-W475 HydrophobicContact CD2-CD2 3.69Å; L461-W475 HydrophobicContact CD2-CE3 3.4Å; L461-W475 HydrophobicContact CD2-CG 4.13Å; L461-W475 HydrophobicContact CD2-CZ3 3.98Å; L461-W475 HydrophobicContact CG-CD2 3.98Å; L461-W475 HydrophobicContact CG-CE3 3.79Å; L461-W475 HydrophobicContact CG-CH2 4.26Å; L461-W475 HydrophobicContact CG-CZ2 4.4Å; L461-W475 HydrophobicContact CG-CZ3 3.95Å; L461-L476 HydrophobicContact CD1-CD2 4.4Å; L461-L476 HydrophobicContact CD2-CD2 4.1Å; L461-L476 HydrophobicContact CD2-CG 4.06Å |
| 462 | R | 94.2 | Very high | 92.8 | Very high | 176 Ų | 176 | 75.6 Ų | 75.6 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69 | -39 | 179.4 | -173.7 | 177.9 | -177.4 | 175.2 | 2.1 | 111.6 | M459 D460 R466 | M459-R462 PolarHBondContact O-N 2.93Å; D460-R462 PolarHBondContact O-N 2.8Å; D460-R462 VanDerWaalsContact O-N 3.12Å; R462-R466 WeakPolarHBondContact O-CG 3.46Å; R462-R466 PolarHBondContact O-N 3.08Å |
| 463 | A | 94 | Very high | 93.1 | Very high | 63 Ų | 63 | 76.8 Ų | 76.8 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D460 R466 A467 | D460-A463 WeakPolarHBondContact O-CA 3.27Å; D460-A463 WeakPolarHBondContact O-CB 3.28Å; D460-A463 PolarHBondContact O-N 3.31Å; A463-R466 PolarHBondContact O-N 3.42Å; A463-A467 WeakPolarHBondContact O-CB 3.42Å; A463-A467 PolarHBondContact O-N 3.44Å |
| 464 | L | 94.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 73.9 Ų | 73.9 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 175.4 | -67.6 | 175.1 | 0 | 0 | 0 | 111.6 | P210 D460 L461 R466 A467 S468 D471 M472 W475 | P210-L464 HydrophobicContact CB-CD1 4.12Å; P210-L464 HydrophobicContact CB-CD2 4.38Å; P210-L464 HydrophobicContact CG-CD2 3.9Å; D460-L464 WeakPolarHBondContact O-CG 2.97Å; D460-L464 PolarHBondContact O-N 2.99Å; L461-L464 PolarHBondContact O-N 3.36Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.42Å; L464-A467 PolarHBondContact O-N 3.21Å; L464-A467 VanDerWaalsContact O-N 3.1Å; L464-S468 CarbonylContact O-C 3.59Å; L464-S468 PolarHBondContact O-N 3.29Å; L464-D471 HydrophobicContact CD2-CB 4.15Å; L464-M472 HydrophobicContact CB-CB 4.19Å; L464-W475 HydrophobicContact CD1-CB 4.05Å; L464-W475 HydrophobicContact CD1-CG 4.16Å |
| 465 | Y | 95.7 | Very high | 94.1 | Very high | 149 Ų | 149 | 73.4 Ų | 73.4 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.1 | -40.7 | 177.5 | 178.4 | -106.9 | 0 | 0 | 0 | 112.8 | L461 I469 M472 | L461-Y465 WeakPolarHBondContact O-CB 3.29Å; L461-Y465 PolarHBondContact O-N 2.92Å; Y465-I469 HydrophobicContact CD2-CD1 3.74Å; Y465-I469 HydrophobicContact CE2-CD1 3.73Å; Y465-M472 HydrophobicContact CD2-CE 4.1Å; Y465-M472 HydrophobicContact CD2-SD 3.53Å; Y465-M472 VanDerWaalsContact CD2-SD 3.53Å; Y465-M472 HydrophobicContact CG-SD 4.02Å |
| 466 | R | 96 | Very high | 94.4 | Very high | 185 Ų | 185 | 73.2 Ų | 73.2 | 70% | 0.698 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.4 | -32.4 | 178.1 | -74.6 | 179.3 | 173.6 | -174.2 | -4.8 | 113 | R462 A463 L464 | R462-R466 WeakPolarHBondContact O-CG 3.46Å; R462-R466 PolarHBondContact O-N 3.08Å; A463-R466 PolarHBondContact O-N 3.42Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.42Å |
| 467 | A | 94.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 70% | 0.702 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -82.9 | -48.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A463 L464 | A463-A467 WeakPolarHBondContact O-CB 3.42Å; A463-A467 PolarHBondContact O-N 3.44Å; L464-A467 PolarHBondContact O-N 3.21Å; L464-A467 VanDerWaalsContact O-N 3.1Å |
| 468 | S | 94.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 69 Ų | 69 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | trans | -164.9 | 118 | -171.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L464 Y470 D471 M472 | L464-S468 CarbonylContact O-C 3.59Å; L464-S468 PolarHBondContact O-N 3.29Å; S468-Y470 PolarHBondContact O-N 2.95Å; S468-D471 WeakPolarHBondContact CB-OD2 3.35Å; S468-D471 PolarHBondContact O-N 3.32Å; S468-D471 PolarHBondContact OG-N 2.78Å; S468-D471 PolarHBondContact OG-OD2 2.92Å; S468-M472 PolarHBondContact O-N 3.3Å | ||
| 469 | I | 95.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58 | -35.4 | 175 | -171.2 | 67.5 | 0 | 0 | 0 | 112 | Y465 D471 M472 L473 | Y465-I469 HydrophobicContact CD2-CD1 3.74Å; Y465-I469 HydrophobicContact CE2-CD1 3.73Å; I469-D471 PolarHBondContact O-N 3.12Å; I469-M472 HydrophobicContact CD1-CE 3.39Å; I469-M472 HydrophobicContact CD1-SD 4.39Å; I469-M472 WeakPolarHBondContact O-CB 3.16Å; I469-M472 PolarHBondContact O-N 3.47Å; I469-L473 HydrophobicContact CG1-CD1 4.46Å; I469-L473 WeakPolarHBondContact O-CG 3.13Å; I469-L473 PolarHBondContact O-N 3.38Å |
| 470 | Y | 95.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 64.8 Ų | 64.8 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 179.9 | -61.6 | -68.8 | 0 | 0 | 0 | 111.8 | S468 M472 L473 I474 T501 Y504 R505 | S468-Y470 PolarHBondContact O-N 2.95Å; Y470-M472 VanDerWaalsContact C-N 3.34Å; Y470-L473 PolarHBondContact O-N 3.25Å; Y470-I474 WeakPolarHBondContact O-CG1 3.33Å; Y470-I474 PolarHBondContact O-N 2.95Å; Y470-T501 HydrophobicContact CD1-CG2 4.13Å; Y470-T501 HydrophobicContact CG-CG2 4.22Å; Y470-Y504 HydrophobicContact CE1-CD1 4.26Å; Y470-Y504 HydrophobicContact CE1-CE1 4.11Å; Y470-R505 HydrophobicContact CD2-CG 4.39Å; Y470-R505 HydrophobicContact CE2-CG 4.46Å |
| 471 | D | 95.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.2 | -35.5 | 179.5 | -62.7 | -37.5 | 0 | 0 | 0 | 111.1 | P210 L464 S468 I469 I474 W475 | P210-D471 WeakPolarHBondContact CB-O 3.4Å; P210-D471 HydrophobicContact CG-CB 3.98Å; L464-D471 HydrophobicContact CD2-CB 4.15Å; S468-D471 WeakPolarHBondContact CB-OD2 3.35Å; S468-D471 PolarHBondContact O-N 3.32Å; S468-D471 PolarHBondContact OG-N 2.78Å; S468-D471 PolarHBondContact OG-OD2 2.92Å; I469-D471 PolarHBondContact O-N 3.12Å; D471-I474 PolarHBondContact O-N 3.08Å; D471-W475 PolarHBondContact O-N 3.23Å; D471-W475 VanDerWaalsContact O-N 3.13Å |
| 472 | M | 97.3 | Very high | 95.8 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 15% | 0.148 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 169.6 | -172.1 | -163.3 | 74 | 0 | 0 | 111.9 | L461 L464 Y465 S468 I469 Y470 W475 L476 | L461-M472 HydrophobicContact CD2-CG 3.7Å; L464-M472 HydrophobicContact CB-CB 4.19Å; Y465-M472 HydrophobicContact CD2-CE 4.1Å; Y465-M472 HydrophobicContact CD2-SD 3.53Å; Y465-M472 VanDerWaalsContact CD2-SD 3.53Å; Y465-M472 HydrophobicContact CG-SD 4.02Å; S468-M472 PolarHBondContact O-N 3.3Å; I469-M472 HydrophobicContact CD1-CE 3.39Å; I469-M472 HydrophobicContact CD1-SD 4.39Å; I469-M472 WeakPolarHBondContact O-CB 3.16Å; I469-M472 PolarHBondContact O-N 3.47Å; Y470-M472 VanDerWaalsContact C-N 3.34Å; M472-W475 WeakPolarHBondContact O-CB 3.49Å; M472-W475 PolarHBondContact O-N 2.71Å; M472-L476 HydrophobicContact CE-CD1 3.83Å; M472-L476 HydrophobicContact CG-CD1 4.11Å; M472-L476 WeakPolarHBondContact O-CG 3.29Å; M472-L476 PolarHBondContact O-N 3.49Å; M472-L476 HydrophobicContact SD-CD1 4.35Å |
| 473 | L | 97.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.1 | -73 | 173.8 | 0 | 0 | 0 | 111.9 | I469 Y470 W475 L476 V477 F497 | I469-L473 HydrophobicContact CG1-CD1 4.46Å; I469-L473 WeakPolarHBondContact O-CG 3.13Å; I469-L473 PolarHBondContact O-N 3.38Å; Y470-L473 PolarHBondContact O-N 3.25Å; L473-W475 VanDerWaalsContact C-N 3.29Å; L473-W475 PolarHBondContact O-N 3.28Å; L473-L476 PolarHBondContact O-N 3.18Å; L473-V477 WeakPolarHBondContact O-CB 3.42Å; L473-V477 VanDerWaalsContact O-CG2 3.3Å; L473-V477 WeakPolarHBondContact O-CG2 3.42Å; L473-V477 PolarHBondContact O-N 3.18Å; L473-F497 HydrophobicContact CB-CE1 4.05Å; L473-F497 HydrophobicContact CB-CZ 4.17Å |
| 474 | I | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -46 | 174.6 | -68.3 | 164.7 | 0 | 0 | 0 | 110.1 | P210 L211 Y470 D471 T478 F497 T501 | P210-I474 HydrophobicContact CB-CG2 4.48Å; L211-I474 HydrophobicContact CB-CG2 3.81Å; Y470-I474 WeakPolarHBondContact O-CG1 3.33Å; Y470-I474 PolarHBondContact O-N 2.95Å; D471-I474 PolarHBondContact O-N 3.08Å; I474-T478 VanDerWaalsContact O-CB 3.31Å; I474-T478 WeakPolarHBondContact O-CB 3.26Å; I474-T478 PolarHBondContact O-N 3.5Å; I474-T478 VanDerWaalsContact O-N 3.1Å; I474-T478 PolarHBondContact O-OG1 3.06Å; I474-F497 HydrophobicContact CB-CD1 4.35Å; I474-F497 HydrophobicContact CB-CE1 4.49Å; I474-F497 HydrophobicContact CG1-CD1 3.8Å; I474-F497 HydrophobicContact CG1-CE1 3.87Å; I474-T501 HydrophobicContact CD1-CG2 4.12Å |
| 475 | W | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 176.5 | -170 | 102.4 | 0 | 0 | 0 | 111.6 | P210 S213 G214 C217 I458 L461 L464 D471 M472 L473 T478 F479 | P210-W475 HydrophobicContact CB-CB 4.29Å; S213-W475 PolarHBondContact OG-NE1 3.16Å; G214-W475 VanDerWaalsContact N-CD1 3.31Å; C217-W475 HydrophobicContact CB-CZ2 4.08Å; I458-W475 HydrophobicContact CB-CH2 4.31Å; I458-W475 HydrophobicContact CB-CZ2 4.31Å; I458-W475 HydrophobicContact CD1-CH2 4.23Å; I458-W475 HydrophobicContact CG1-CH2 3.76Å; I458-W475 HydrophobicContact CG1-CZ2 4.22Å; L461-W475 HydrophobicContact CD1-CE3 3.92Å; L461-W475 HydrophobicContact CD1-CH2 3.88Å; L461-W475 HydrophobicContact CD1-CZ2 4.45Å; L461-W475 HydrophobicContact CD1-CZ3 3.58Å; L461-W475 HydrophobicContact CD2-CB 4.36Å; L461-W475 HydrophobicContact CD2-CD2 3.69Å; L461-W475 HydrophobicContact CD2-CE3 3.4Å; L461-W475 HydrophobicContact CD2-CG 4.13Å; L461-W475 HydrophobicContact CD2-CZ3 3.98Å; L461-W475 HydrophobicContact CG-CD2 3.98Å; L461-W475 HydrophobicContact CG-CE3 3.79Å; L461-W475 HydrophobicContact CG-CH2 4.26Å; L461-W475 HydrophobicContact CG-CZ2 4.4Å; L461-W475 HydrophobicContact CG-CZ3 3.95Å; L464-W475 HydrophobicContact CD1-CB 4.05Å; L464-W475 HydrophobicContact CD1-CG 4.16Å; D471-W475 PolarHBondContact O-N 3.23Å; D471-W475 VanDerWaalsContact O-N 3.13Å; M472-W475 WeakPolarHBondContact O-CB 3.49Å; M472-W475 PolarHBondContact O-N 2.71Å; L473-W475 VanDerWaalsContact C-N 3.29Å; L473-W475 PolarHBondContact O-N 3.28Å; W475-T478 PolarHBondContact O-N 2.89Å; W475-F479 HydrophobicContact CE3-CB 3.99Å; W475-F479 HydrophobicContact CE3-CG 4.49Å; W475-F479 HydrophobicContact CH2-CB 4.14Å; W475-F479 HydrophobicContact CH2-CD1 4.48Å; W475-F479 AromaticContact CH2-CD2 3.6Å; W475-F479 HydrophobicContact CH2-CD2 3.6Å; W475-F479 HydrophobicContact CH2-CE2 4.13Å; W475-F479 AromaticContact CH2-CG 3.82Å; W475-F479 HydrophobicContact CH2-CG 3.82Å; W475-F479 HydrophobicContact CZ2-CD2 4.16Å; W475-F479 HydrophobicContact CZ3-CB 3.72Å; W475-F479 HydrophobicContact CZ3-CD1 4.26Å; W475-F479 HydrophobicContact CZ3-CD2 4.03Å; W475-F479 AromaticContact CZ3-CG 3.74Å; W475-F479 HydrophobicContact CZ3-CG 3.74Å; W475-F479 VanDerWaalsContact O-CB 3.31Å; W475-F479 WeakPolarHBondContact O-CB 3.47Å; W475-F479 PolarHBondContact O-N 3.13Å |
| 476 | L | 97.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.6 | -46 | -176.3 | -74.6 | 170.6 | 0 | 0 | 0 | 112.4 | L461 M472 L473 T478 F479 M480 | L461-L476 HydrophobicContact CD1-CD2 4.4Å; L461-L476 HydrophobicContact CD2-CD2 4.1Å; L461-L476 HydrophobicContact CD2-CG 4.06Å; M472-L476 HydrophobicContact CE-CD1 3.83Å; M472-L476 HydrophobicContact CG-CD1 4.11Å; M472-L476 WeakPolarHBondContact O-CG 3.29Å; M472-L476 PolarHBondContact O-N 3.49Å; M472-L476 HydrophobicContact SD-CD1 4.35Å; L473-L476 PolarHBondContact O-N 3.18Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 3.47Å; L476-F479 PolarHBondContact O-N 3.09Å; L476-M480 WeakPolarHBondContact O-CB 3.19Å; L476-M480 WeakPolarHBondContact O-CG 3.29Å; L476-M480 PolarHBondContact O-N 3.05Å |
| 477 | V | 97.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | L473 A481 T493 F497 | L473-V477 WeakPolarHBondContact O-CB 3.42Å; L473-V477 VanDerWaalsContact O-CG2 3.3Å; L473-V477 WeakPolarHBondContact O-CG2 3.42Å; L473-V477 PolarHBondContact O-N 3.18Å; V477-A481 WeakPolarHBondContact O-CB 3.48Å; V477-A481 PolarHBondContact O-N 3.39Å; V477-T493 HydrophobicContact CG1-CG2 4.34Å; V477-F497 HydrophobicContact CB-CD1 4.19Å; V477-F497 HydrophobicContact CB-CE1 4.41Å; V477-F497 HydrophobicContact CB-CG 4.32Å; V477-F497 HydrophobicContact CG1-CB 4.17Å; V477-F497 HydrophobicContact CG1-CD1 4.34Å; V477-F497 HydrophobicContact CG1-CD2 4.23Å; V477-F497 HydrophobicContact CG1-CG 3.98Å; V477-F497 HydrophobicContact CG2-CD1 4.27Å; V477-F497 HydrophobicContact CG2-CD2 4.35Å; V477-F497 HydrophobicContact CG2-CE1 4.05Å; V477-F497 HydrophobicContact CG2-CE2 4.13Å; V477-F497 HydrophobicContact CG2-CG 4.41Å; V477-F497 HydrophobicContact CG2-CZ 3.98Å |
| 478 | T | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | L211 F215 I474 W475 L476 T482 G494 | L211-T478 HydrophobicContact CG-CG2 4.39Å; F215-T478 HydrophobicContact CB-CG2 3.72Å; I474-T478 VanDerWaalsContact O-CB 3.31Å; I474-T478 WeakPolarHBondContact O-CB 3.26Å; I474-T478 PolarHBondContact O-N 3.5Å; I474-T478 VanDerWaalsContact O-N 3.1Å; I474-T478 PolarHBondContact O-OG1 3.06Å; W475-T478 PolarHBondContact O-N 2.89Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 3.47Å; T478-T482 VanDerWaalsContact O-CB 3.28Å; T478-T482 WeakPolarHBondContact O-CB 3.46Å; T478-T482 PolarHBondContact O-N 2.92Å; T478-T482 PolarHBondContact O-OG1 3.44Å; T478-G494 WeakPolarHBondContact OG1-CA 3.44Å |
| 479 | F | 96.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -52.4 | 178.3 | -179.7 | -88.7 | 0 | 0 | 0 | 111.3 | G214 C217 A218 V221 W475 L476 A481 T482 V483 | G214-F479 WeakPolarHBondContact O-CD2 3.31Å; C217-F479 HydrophobicContact CB-CD2 4.04Å; C217-F479 HydrophobicContact CB-CE2 4.07Å; A218-F479 HydrophobicContact CB-CD2 3.65Å; A218-F479 HydrophobicContact CB-CE2 3.99Å; A218-F479 HydrophobicContact CB-CG 4.14Å; A218-F479 WeakPolarHBondContact CB-O 3.32Å; V221-F479 HydrophobicContact CG2-CZ 4.35Å; W475-F479 HydrophobicContact CE3-CB 3.99Å; W475-F479 HydrophobicContact CE3-CG 4.49Å; W475-F479 HydrophobicContact CH2-CB 4.14Å; W475-F479 HydrophobicContact CH2-CD1 4.48Å; W475-F479 AromaticContact CH2-CD2 3.6Å; W475-F479 HydrophobicContact CH2-CD2 3.6Å; W475-F479 HydrophobicContact CH2-CE2 4.13Å; W475-F479 AromaticContact CH2-CG 3.82Å; W475-F479 HydrophobicContact CH2-CG 3.82Å; W475-F479 HydrophobicContact CZ2-CD2 4.16Å; W475-F479 HydrophobicContact CZ3-CB 3.72Å; W475-F479 HydrophobicContact CZ3-CD1 4.26Å; W475-F479 HydrophobicContact CZ3-CD2 4.03Å; W475-F479 AromaticContact CZ3-CG 3.74Å; W475-F479 HydrophobicContact CZ3-CG 3.74Å; W475-F479 VanDerWaalsContact O-CB 3.31Å; W475-F479 WeakPolarHBondContact O-CB 3.47Å; W475-F479 PolarHBondContact O-N 3.13Å; L476-F479 PolarHBondContact O-N 3.09Å; F479-A481 PolarHBondContact O-N 2.92Å; F479-T482 PolarHBondContact O-N 3.19Å; F479-V483 HydrophobicContact CD1-CG2 4.2Å; F479-V483 HydrophobicContact CE1-CG2 3.81Å; F479-V483 HydrophobicContact CE2-CG2 4.3Å; F479-V483 HydrophobicContact CZ-CG2 3.87Å; F479-V483 WeakPolarHBondContact O-CG2 3.2Å; F479-V483 PolarHBondContact O-N 3.35Å |
| 480 | M | 96.9 | Very high | 93.5 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 47% | 0.468 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | -177 | -64.7 | -64.1 | -108 | 0 | 0 | 112 | L476 T482 V483 F484 | L476-M480 WeakPolarHBondContact O-CB 3.19Å; L476-M480 WeakPolarHBondContact O-CG 3.29Å; L476-M480 PolarHBondContact O-N 3.05Å; M480-T482 VanDerWaalsContact C-N 3.32Å; M480-T482 PolarHBondContact O-N 2.95Å; M480-V483 PolarHBondContact O-N 3.39Å; M480-F484 HydrophobicContact CB-CD2 4.29Å; M480-F484 HydrophobicContact CB-CE2 4.46Å; M480-F484 HydrophobicContact CE-CE2 3.78Å; M480-F484 WeakPolarHBondContact O-CB 3.29Å; M480-F484 VanDerWaalsContact O-CD2 3.25Å; M480-F484 WeakPolarHBondContact O-CD2 3.29Å; M480-F484 PolarHBondContact O-N 2.93Å; M480-F484 HydrophobicContact SD-CD2 4.36Å; M480-F484 HydrophobicContact SD-CE2 3.63Å; M480-F484 HydrophobicContact SD-CZ 4.47Å |
| 481 | A | 96.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V477 F479 I485 T493 | V477-A481 WeakPolarHBondContact O-CB 3.48Å; V477-A481 PolarHBondContact O-N 3.39Å; F479-A481 PolarHBondContact O-N 2.92Å; A481-I485 HydrophobicContact CB-CD1 4.33Å; A481-I485 WeakPolarHBondContact O-CA 3.44Å; A481-I485 VanDerWaalsContact O-CB 3.23Å; A481-I485 WeakPolarHBondContact O-CB 3.38Å; A481-I485 PolarHBondContact O-N 3.47Å; A481-T493 HydrophobicContact CB-CG2 4.03Å |
| 482 | T | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.5 | -41.1 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 112 | F215 A218 H222 T478 F479 M480 V487 G490 | F215-T482 HydrophobicContact CD2-CG2 3.87Å; F215-T482 HydrophobicContact CE2-CG2 4.01Å; A218-T482 VanDerWaalsContact CB-CB 3.42Å; A218-T482 HydrophobicContact CB-CG2 3.48Å; A218-T482 VanDerWaalsContact CB-CG2 3.48Å; H222-T482 PolarHBondContact NE2-O 2.87Å; T478-T482 VanDerWaalsContact O-CB 3.28Å; T478-T482 WeakPolarHBondContact O-CB 3.46Å; T478-T482 PolarHBondContact O-N 2.92Å; T478-T482 PolarHBondContact O-OG1 3.44Å; F479-T482 PolarHBondContact O-N 3.19Å; M480-T482 VanDerWaalsContact C-N 3.32Å; M480-T482 PolarHBondContact O-N 2.95Å; T482-V487 HydrophobicContact CG2-CG2 4.33Å; T482-G490 WeakPolarHBondContact OG1-CA 3.18Å |
| 483 | V | 93.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.4 | -46.6 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | A218 V221 I245 F479 M480 | A218-V483 HydrophobicContact CB-CG2 3.61Å; V221-V483 HydrophobicContact CG2-CG2 4.41Å; I245-V483 HydrophobicContact CD1-CG1 3.95Å; F479-V483 HydrophobicContact CD1-CG2 4.2Å; F479-V483 HydrophobicContact CE1-CG2 3.81Å; F479-V483 HydrophobicContact CE2-CG2 4.3Å; F479-V483 HydrophobicContact CZ-CG2 3.87Å; F479-V483 WeakPolarHBondContact O-CG2 3.2Å; F479-V483 PolarHBondContact O-N 3.35Å; M480-V483 PolarHBondContact O-N 3.39Å |
| 484 | F | 94.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 32.7 Ų | 32.7 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -93 | -33.7 | -169 | -63.9 | -52.4 | 0 | 0 | 0 | 114.9 | F243 F246 M480 | F243-F484 HydrophobicContact CD1-CB 4.47Å; F243-F484 HydrophobicContact CD1-CD1 4.48Å; F243-F484 HydrophobicContact CE1-CB 4.18Å; F243-F484 HydrophobicContact CE1-CD1 4.5Å; F243-F484 PolarHBondContact N-O 2.78Å; F246-F484 AromaticContact CE2-CD1 3.58Å; F246-F484 HydrophobicContact CE2-CD1 3.58Å; F246-F484 AromaticContact CE2-CE1 3.53Å; F246-F484 HydrophobicContact CE2-CE1 3.53Å; F246-F484 HydrophobicContact CZ-CD1 4.21Å; F246-F484 AromaticContact CZ-CE1 3.66Å; F246-F484 HydrophobicContact CZ-CE1 3.66Å; M480-F484 HydrophobicContact CB-CD2 4.29Å; M480-F484 HydrophobicContact CB-CE2 4.46Å; M480-F484 HydrophobicContact CE-CE2 3.78Å; M480-F484 WeakPolarHBondContact O-CB 3.29Å; M480-F484 VanDerWaalsContact O-CD2 3.25Å; M480-F484 WeakPolarHBondContact O-CD2 3.29Å; M480-F484 PolarHBondContact O-N 2.93Å; M480-F484 HydrophobicContact SD-CD2 4.36Å; M480-F484 HydrophobicContact SD-CE2 3.63Å; M480-F484 HydrophobicContact SD-CZ 4.47Å |
| 485 | I | 91.1 | Very high | 92.6 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -82.7 | -178.5 | -51.9 | 175.3 | 0 | 0 | 0 | 108.5 | P242 A481 I489 | P242-I485 VanDerWaalsContact CA-O 3.29Å; P242-I485 WeakPolarHBondContact CA-O 3.44Å; A481-I485 HydrophobicContact CB-CD1 4.33Å; A481-I485 WeakPolarHBondContact O-CA 3.44Å; A481-I485 VanDerWaalsContact O-CB 3.23Å; A481-I485 WeakPolarHBondContact O-CB 3.38Å; A481-I485 PolarHBondContact O-N 3.47Å; I485-I489 HydrophobicContact CG2-CB 4.04Å; I485-I489 HydrophobicContact CG2-CD1 3.89Å; I485-I489 HydrophobicContact CG2-CG2 3.78Å |
| 486 | D | 84.4 | Confident | 92.5 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | trans | -167.1 | 164.3 | 176.2 | -154.1 | -6.2 | 0 | 0 | 0 | 109.5 | I489 G490 | D486-I489 HydrophobicContact CB-CB 4.45Å; D486-I489 HydrophobicContact CB-CD1 4.09Å; D486-I489 HydrophobicContact CB-CG1 4.37Å; D486-G490 PolarHBondContact O-N 3.46Å | ||
| 487 | V | 84.2 | Confident | 92.5 | Very high | 10 Ų | 10 | 38 Ų | 38 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -53.5 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | L143 F215 T482 I489 G490 L491 | L143-V487 HydrophobicContact CD2-CG1 3.49Å; L143-V487 VanDerWaalsContact CD2-CG1 3.49Å; F215-V487 HydrophobicContact CE2-CG1 3.67Å; F215-V487 WeakPolarHBondContact CE2-O 3.47Å; F215-V487 HydrophobicContact CZ-CG1 3.71Å; T482-V487 HydrophobicContact CG2-CG2 4.33Å; V487-I489 VanDerWaalsContact C-N 3.34Å; V487-I489 PolarHBondContact O-N 3.18Å; V487-G490 PolarHBondContact O-N 3.27Å; V487-L491 PolarHBondContact O-N 2.81Å |
| 488 | P | 83 | Confident | 92.4 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | -178.5 | -24.8 | 36.7 | 0 | 0 | 0 | 113.5 | M344 E345 I348 L491 L492 | M344-P488 HydrophobicContact CE-CB 3.79Å; M344-P488 HydrophobicContact CE-CG 4.47Å; E345-P488 HydrophobicContact CG-CG 4.41Å; I348-P488 HydrophobicContact CD1-CB 3.52Å; I348-P488 HydrophobicContact CD1-CG 4.5Å; P488-L491 PolarHBondContact O-N 3.06Å; P488-L492 PolarHBondContact O-N 3.22Å |
| 489 | I | 88.4 | Confident | 92.3 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.2 | -35.5 | -177.3 | -58.7 | 168.8 | 0 | 0 | 0 | 110.5 | I485 D486 V487 L491 L492 T493 | I485-I489 HydrophobicContact CG2-CB 4.04Å; I485-I489 HydrophobicContact CG2-CD1 3.89Å; I485-I489 HydrophobicContact CG2-CG2 3.78Å; D486-I489 HydrophobicContact CB-CB 4.45Å; D486-I489 HydrophobicContact CB-CD1 4.09Å; D486-I489 HydrophobicContact CB-CG1 4.37Å; V487-I489 VanDerWaalsContact C-N 3.34Å; V487-I489 PolarHBondContact O-N 3.18Å; I489-L491 PolarHBondContact O-N 3.27Å; I489-L492 PolarHBondContact O-N 3.25Å; I489-T493 VanDerWaalsContact O-CB 3.31Å; I489-T493 WeakPolarHBondContact O-CB 3.28Å; I489-T493 PolarHBondContact O-N 3.32Å; I489-T493 PolarHBondContact O-OG1 2.93Å |
| 490 | G | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T482 D486 V487 T493 G494 | T482-G490 WeakPolarHBondContact OG1-CA 3.18Å; D486-G490 PolarHBondContact O-N 3.46Å; V487-G490 PolarHBondContact O-N 3.27Å; G490-T493 PolarHBondContact O-N 3.06Å; G490-G494 PolarHBondContact O-N 3.26Å |
| 491 | L | 89.9 | Confident | 92.2 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 176.3 | -176.4 | 63.3 | 0 | 0 | 0 | 112.1 | L211 F215 I348 V352 V487 P488 I489 T493 G494 L495 | L211-L491 HydrophobicContact CD2-CD1 3.46Å; L211-L491 VanDerWaalsContact CD2-CD1 3.46Å; F215-L491 HydrophobicContact CB-CD1 4.35Å; F215-L491 HydrophobicContact CD1-CD1 4.11Å; F215-L491 HydrophobicContact CD2-CB 3.86Å; F215-L491 HydrophobicContact CD2-CD1 4.2Å; F215-L491 HydrophobicContact CE1-CD1 4.43Å; F215-L491 HydrophobicContact CE1-CD2 4.43Å; F215-L491 HydrophobicContact CE2-CB 3.64Å; F215-L491 HydrophobicContact CG-CB 4.45Å; F215-L491 HydrophobicContact CG-CD1 3.95Å; F215-L491 HydrophobicContact CZ-CB 4.01Å; F215-L491 HydrophobicContact CZ-CD2 4.32Å; I348-L491 HydrophobicContact CB-CD2 4.19Å; I348-L491 HydrophobicContact CG1-CD2 4.15Å; I348-L491 HydrophobicContact CG2-CD2 3.48Å; I348-L491 VanDerWaalsContact CG2-CD2 3.48Å; V352-L491 HydrophobicContact CG2-CD2 3.79Å; V487-L491 PolarHBondContact O-N 2.81Å; P488-L491 PolarHBondContact O-N 3.06Å; I489-L491 PolarHBondContact O-N 3.27Å; L491-T493 VanDerWaalsContact C-N 3.32Å; L491-T493 PolarHBondContact O-N 3.12Å; L491-G494 PolarHBondContact O-N 2.65Å; L491-L495 WeakPolarHBondContact O-CB 3.29Å; L491-L495 PolarHBondContact O-N 3.04Å |
| 492 | L | 91 | Very high | 92.1 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 179.8 | -178.2 | 62 | 0 | 0 | 0 | 111.1 | P488 I489 G494 L495 C496 | P488-L492 PolarHBondContact O-N 3.22Å; I489-L492 PolarHBondContact O-N 3.25Å; L492-G494 PolarHBondContact O-N 2.83Å; L492-L495 PolarHBondContact O-N 2.85Å; L492-C496 WeakPolarHBondContact O-CB 3.42Å; L492-C496 PolarHBondContact O-N 2.9Å; L492-C496 PolarHBondContact O-SG 3.36Å; L492-C496 VanDerWaalsContact O-SG 3.37Å |
| 493 | T | 94.9 | Very high | 92 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | V477 A481 I489 G490 L491 L495 C496 F497 | V477-T493 HydrophobicContact CG1-CG2 4.34Å; A481-T493 HydrophobicContact CB-CG2 4.03Å; I489-T493 VanDerWaalsContact O-CB 3.31Å; I489-T493 WeakPolarHBondContact O-CB 3.28Å; I489-T493 PolarHBondContact O-N 3.32Å; I489-T493 PolarHBondContact O-OG1 2.93Å; G490-T493 PolarHBondContact O-N 3.06Å; L491-T493 VanDerWaalsContact C-N 3.32Å; L491-T493 PolarHBondContact O-N 3.12Å; T493-L495 PolarHBondContact O-N 3.22Å; T493-C496 PolarHBondContact O-N 3.34Å; T493-F497 VanDerWaalsContact O-CB 3.28Å; T493-F497 WeakPolarHBondContact O-CB 3.4Å; T493-F497 PolarHBondContact O-N 3.06Å |
| 494 | G | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T478 G490 L491 L492 F497 S498 | T478-G494 WeakPolarHBondContact OG1-CA 3.44Å; G490-G494 PolarHBondContact O-N 3.26Å; L491-G494 PolarHBondContact O-N 2.65Å; L492-G494 PolarHBondContact O-N 2.83Å; G494-F497 PolarHBondContact O-N 2.91Å; G494-S498 WeakPolarHBondContact O-CB 3.37Å; G494-S498 PolarHBondContact O-N 3.04Å |
| 495 | L | 93.5 | Very high | 91.8 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -48.3 | 178.1 | -176.3 | 64.9 | 0 | 0 | 0 | 111.7 | L211 L491 L492 T493 F497 S498 L499 | L211-L495 VanDerWaalsContact CD1-CA 3.44Å; L211-L495 HydrophobicContact CD1-CB 4.03Å; L211-L495 HydrophobicContact CD1-CD1 4.13Å; L491-L495 WeakPolarHBondContact O-CB 3.29Å; L491-L495 PolarHBondContact O-N 3.04Å; L492-L495 PolarHBondContact O-N 2.85Å; T493-L495 PolarHBondContact O-N 3.22Å; L495-F497 VanDerWaalsContact C-N 3.31Å; L495-F497 PolarHBondContact O-N 3.18Å; L495-S498 PolarHBondContact O-N 3.47Å; L495-L499 HydrophobicContact CG-CD1 4.36Å; L495-L499 WeakPolarHBondContact O-CG 3.31Å; L495-L499 PolarHBondContact O-N 2.78Å |
| 496 | C | 95.6 | Very high | 91.8 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 43% | 0.432 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 175.3 | -71.3 | 0 | 0 | 0 | 0 | 111.2 | L492 T493 L499 L500 | L492-C496 WeakPolarHBondContact O-CB 3.42Å; L492-C496 PolarHBondContact O-N 2.9Å; L492-C496 PolarHBondContact O-SG 3.36Å; L492-C496 VanDerWaalsContact O-SG 3.37Å; T493-C496 PolarHBondContact O-N 3.34Å; C496-L499 PolarHBondContact O-N 2.91Å; C496-L500 WeakPolarHBondContact O-CB 3.48Å; C496-L500 VanDerWaalsContact O-CG 3.29Å; C496-L500 WeakPolarHBondContact O-CG 3.47Å; C496-L500 PolarHBondContact O-N 2.74Å |
| 497 | F | 97.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 177.4 | -174.2 | -95.8 | 0 | 0 | 0 | 112.3 | L473 I474 V477 T493 G494 L495 L500 T501 | L473-F497 HydrophobicContact CB-CE1 4.05Å; L473-F497 HydrophobicContact CB-CZ 4.17Å; I474-F497 HydrophobicContact CB-CD1 4.35Å; I474-F497 HydrophobicContact CB-CE1 4.49Å; I474-F497 HydrophobicContact CG1-CD1 3.8Å; I474-F497 HydrophobicContact CG1-CE1 3.87Å; V477-F497 HydrophobicContact CB-CD1 4.19Å; V477-F497 HydrophobicContact CB-CE1 4.41Å; V477-F497 HydrophobicContact CB-CG 4.32Å; V477-F497 HydrophobicContact CG1-CB 4.17Å; V477-F497 HydrophobicContact CG1-CD1 4.34Å; V477-F497 HydrophobicContact CG1-CD2 4.23Å; V477-F497 HydrophobicContact CG1-CG 3.98Å; V477-F497 HydrophobicContact CG2-CD1 4.27Å; V477-F497 HydrophobicContact CG2-CD2 4.35Å; V477-F497 HydrophobicContact CG2-CE1 4.05Å; V477-F497 HydrophobicContact CG2-CE2 4.13Å; V477-F497 HydrophobicContact CG2-CG 4.41Å; V477-F497 HydrophobicContact CG2-CZ 3.98Å; T493-F497 VanDerWaalsContact O-CB 3.28Å; T493-F497 WeakPolarHBondContact O-CB 3.4Å; T493-F497 PolarHBondContact O-N 3.06Å; G494-F497 PolarHBondContact O-N 2.91Å; L495-F497 VanDerWaalsContact C-N 3.31Å; L495-F497 PolarHBondContact O-N 3.18Å; F497-L500 PolarHBondContact O-N 2.94Å; F497-T501 WeakPolarHBondContact O-CB 3.26Å; F497-T501 PolarHBondContact O-N 3.38Å; F497-T501 PolarHBondContact O-OG1 2.93Å |
| 498 | S | 95.4 | Very high | 92 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | G494 L495 T501 V502 | G494-S498 WeakPolarHBondContact O-CB 3.37Å; G494-S498 PolarHBondContact O-N 3.04Å; L495-S498 PolarHBondContact O-N 3.47Å; S498-T501 WeakPolarHBondContact O-CB 3.33Å; S498-T501 PolarHBondContact O-N 2.81Å; S498-V502 WeakPolarHBondContact O-CG2 3.34Å; S498-V502 PolarHBondContact O-N 3.49Å |
| 499 | L | 95 | Very high | 92.1 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.7 | -69.8 | 173.6 | 0 | 0 | 0 | 111.9 | Y206 L495 C496 T501 V502 L503 | Y206-L499 HydrophobicContact CD1-CD2 3.63Å; Y206-L499 HydrophobicContact CE1-CD2 4.23Å; Y206-L499 HydrophobicContact CG-CD2 4.26Å; L495-L499 HydrophobicContact CG-CD1 4.36Å; L495-L499 WeakPolarHBondContact O-CG 3.31Å; L495-L499 PolarHBondContact O-N 2.78Å; C496-L499 PolarHBondContact O-N 2.91Å; L499-T501 VanDerWaalsContact C-N 3.26Å; L499-T501 PolarHBondContact O-N 3.11Å; L499-V502 PolarHBondContact O-N 2.83Å; L499-L503 WeakPolarHBondContact O-CG 3.34Å; L499-L503 PolarHBondContact O-N 2.97Å |
| 500 | L | 95.8 | Very high | 92.1 | Very high | 110 Ų | 110 | 60.8 Ų | 60.8 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 174.6 | -73.1 | 171.5 | 0 | 0 | 0 | 111.9 | C496 F497 L503 Y504 | C496-L500 WeakPolarHBondContact O-CB 3.48Å; C496-L500 VanDerWaalsContact O-CG 3.29Å; C496-L500 WeakPolarHBondContact O-CG 3.47Å; C496-L500 PolarHBondContact O-N 2.74Å; F497-L500 PolarHBondContact O-N 2.94Å; L500-L503 HydrophobicContact CD2-CD1 4.49Å; L500-L503 PolarHBondContact O-N 2.89Å; L500-Y504 WeakPolarHBondContact O-CB 3.29Å; L500-Y504 PolarHBondContact O-N 3.41Å |
| 501 | T | 95.1 | Very high | 92 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 8% | 0.08 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | Y470 I474 F497 S498 L499 Y504 R505 | Y470-T501 HydrophobicContact CD1-CG2 4.13Å; Y470-T501 HydrophobicContact CG-CG2 4.22Å; I474-T501 HydrophobicContact CD1-CG2 4.12Å; F497-T501 WeakPolarHBondContact O-CB 3.26Å; F497-T501 PolarHBondContact O-N 3.38Å; F497-T501 PolarHBondContact O-OG1 2.93Å; S498-T501 WeakPolarHBondContact O-CB 3.33Å; S498-T501 PolarHBondContact O-N 2.81Å; L499-T501 VanDerWaalsContact C-N 3.26Å; L499-T501 PolarHBondContact O-N 3.11Å; T501-Y504 PolarHBondContact O-N 3Å; T501-R505 HydrophobicContact CG2-CG 4.42Å; T501-R505 WeakPolarHBondContact O-CB 3.19Å; T501-R505 VanDerWaalsContact O-CG 3.23Å; T501-R505 WeakPolarHBondContact O-CG 3.12Å; T501-R505 PolarHBondContact O-N 2.96Å |
| 502 | V | 92.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | S498 L499 Y504 R505 T506 | S498-V502 WeakPolarHBondContact O-CG2 3.34Å; S498-V502 PolarHBondContact O-N 3.49Å; L499-V502 PolarHBondContact O-N 2.83Å; V502-Y504 VanDerWaalsContact C-N 3.34Å; V502-Y504 PolarHBondContact O-N 3.17Å; V502-R505 PolarHBondContact O-N 3.25Å; V502-T506 HydrophobicContact CG1-CG2 4.38Å; V502-T506 WeakPolarHBondContact O-CG2 3.49Å; V502-T506 PolarHBondContact O-N 2.96Å; V502-T506 PolarHBondContact O-OG1 2.9Å |
| 503 | L | 91.9 | Very high | 92.4 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 178.4 | -67.9 | 173.5 | 0 | 0 | 0 | 112.4 | L499 L500 T506 Q507 | L499-L503 WeakPolarHBondContact O-CG 3.34Å; L499-L503 PolarHBondContact O-N 2.97Å; L500-L503 HydrophobicContact CD2-CD1 4.49Å; L500-L503 PolarHBondContact O-N 2.89Å; L503-T506 WeakPolarHBondContact CA-OG1 3.36Å; L503-T506 PolarHBondContact O-N 2.77Å; L503-T506 PolarHBondContact O-OG1 3.18Å; L503-Q507 WeakPolarHBondContact O-CB 3.4Å; L503-Q507 PolarHBondContact O-N 3.14Å |
| 504 | Y | 92.7 | Very high | 92.4 | Very high | 122 Ų | 122 | 61.3 Ų | 61.3 | 48% | 0.478 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.9 | 178.3 | -103 | 0 | 0 | 0 | 111.9 | Y470 L500 T501 V502 Q507 S508 | Y470-Y504 HydrophobicContact CE1-CD1 4.26Å; Y470-Y504 HydrophobicContact CE1-CE1 4.11Å; L500-Y504 WeakPolarHBondContact O-CB 3.29Å; L500-Y504 PolarHBondContact O-N 3.41Å; T501-Y504 PolarHBondContact O-N 3Å; V502-Y504 VanDerWaalsContact C-N 3.34Å; V502-Y504 PolarHBondContact O-N 3.17Å; Y504-Q507 PolarHBondContact O-N 2.97Å; Y504-S508 VanDerWaalsContact O-CB 3.28Å; Y504-S508 WeakPolarHBondContact O-CB 3.07Å; Y504-S508 PolarHBondContact O-N 3.23Å; Y504-S508 PolarHBondContact O-OG 2.73Å; Y504-S508 VanDerWaalsContact O-OG 3.07Å |
| 505 | R | 90.6 | Very high | 92.4 | Very high | 121 Ų | 121 | 61.3 Ų | 61.3 | 46% | 0.457 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 177.7 | -73.9 | 178.4 | 67.3 | -179.3 | 2 | 112.7 | Y470 T501 V502 S508 | Y470-R505 HydrophobicContact CD2-CG 4.39Å; Y470-R505 HydrophobicContact CE2-CG 4.46Å; T501-R505 HydrophobicContact CG2-CG 4.42Å; T501-R505 WeakPolarHBondContact O-CB 3.19Å; T501-R505 VanDerWaalsContact O-CG 3.23Å; T501-R505 WeakPolarHBondContact O-CG 3.12Å; T501-R505 PolarHBondContact O-N 2.96Å; V502-R505 PolarHBondContact O-N 3.25Å; R505-S508 CarbonylContact O-C 3.53Å |
| 506 | T | 89.9 | Confident | 92.6 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.8 | -34.5 | 175.5 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | V502 L503 T509 Y548 | V502-T506 HydrophobicContact CG1-CG2 4.38Å; V502-T506 WeakPolarHBondContact O-CG2 3.49Å; V502-T506 PolarHBondContact O-N 2.96Å; V502-T506 PolarHBondContact O-OG1 2.9Å; L503-T506 WeakPolarHBondContact CA-OG1 3.36Å; L503-T506 PolarHBondContact O-N 2.77Å; L503-T506 PolarHBondContact O-OG1 3.18Å; T506-T509 PolarHBondContact O-OG1 2.85Å; T506-Y548 PolarHBondContact OG1-OH 3.19Å |
| 507 | Q | 90.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70 | -41.7 | 174.2 | -171.7 | -178.2 | 14.5 | 0 | 0 | 111.6 | L503 Y504 T509 A550 N551 | L503-Q507 WeakPolarHBondContact O-CB 3.4Å; L503-Q507 PolarHBondContact O-N 3.14Å; Y504-Q507 PolarHBondContact O-N 2.97Å; Q507-T509 PolarHBondContact O-N 3.23Å; Q507-A550 HydrophobicContact CG-CB 4.37Å; Q507-A550 WeakPolarHBondContact CG-O 3.49Å; Q507-A550 PolarHBondContact NE2-O 2.79Å; Q507-N551 HydrophobicContact CG-CB 4.24Å |
| 508 | S | 84 | Confident | 92.2 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -93.4 | 72.3 | -177.3 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | Y504 R505 | Y504-S508 VanDerWaalsContact O-CB 3.28Å; Y504-S508 WeakPolarHBondContact O-CB 3.07Å; Y504-S508 PolarHBondContact O-N 3.23Å; Y504-S508 PolarHBondContact O-OG 2.73Å; Y504-S508 VanDerWaalsContact O-OG 3.07Å; R505-S508 CarbonylContact O-C 3.53Å |
| 509 | T | 85 | Confident | 91.8 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | trans | -78.5 | 144.8 | 179.2 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | T506 Q507 Y511 Y543 G545 | T506-T509 PolarHBondContact O-OG1 2.85Å; Q507-T509 PolarHBondContact O-N 3.23Å; T509-Y511 VanDerWaalsContact O-CD1 3.28Å; T509-Y511 WeakPolarHBondContact O-CD1 3.42Å; T509-Y543 HydrophobicContact CG2-CD1 4.03Å; T509-Y543 HydrophobicContact CG2-CE1 3.75Å; T509-Y543 HydrophobicContact CG2-CE2 4.46Å; T509-Y543 HydrophobicContact CG2-CG 4.49Å; T509-G545 VanDerWaalsContact CG2-CA 3.43Å | ||
| 510 | Y | 86.6 | Confident | 91.6 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | trans | -72.5 | 127 | 171.9 | -173.4 | -107.4 | 0 | 0 | 0 | 110.8 | Y512 D525 R528 G544 | Y510-Y512 AromaticContact CD1-CD1 3.42Å; Y510-Y512 HydrophobicContact CD1-CD1 3.42Å; Y510-Y512 VanDerWaalsContact CD1-CD1 3.42Å; Y510-Y512 AromaticContact CD1-CE1 3.63Å; Y510-Y512 HydrophobicContact CD1-CE1 3.63Å; Y510-Y512 AromaticContact CE1-CD1 3.19Å; Y510-Y512 HydrophobicContact CE1-CD1 3.19Å; Y510-Y512 AromaticContact CE1-CE1 3.58Å; Y510-Y512 HydrophobicContact CE1-CE1 3.58Å; Y510-Y512 AromaticContact CE1-CG 3.93Å; Y510-Y512 HydrophobicContact CE1-CG 3.93Å; Y510-D525 PolarHBondContact OH-OD2 2.83Å; Y510-R528 PolarHBondContact OH-NE 3.15Å; Y510-R528 PolarHBondContact OH-NH2 3.06Å; Y510-G544 WeakPolarHBondContact O-CA 3.3Å; Y510-G544 PolarHBondContact O-N 3.4Å | ||
| 511 | Y | 90.8 | Very high | 91.3 | Very high | 99 Ų | 99 | 65 Ų | 65 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.8 | -179.6 | 54.4 | -107 | 0 | 0 | 0 | 109.9 | T509 K542 Y543 W558 M562 | T509-Y511 VanDerWaalsContact O-CD1 3.28Å; T509-Y511 WeakPolarHBondContact O-CD1 3.42Å; Y511-K542 WeakPolarHBondContact CA-O 3.25Å; Y511-Y543 HydrophobicContact CD1-CE2 4.1Å; Y511-W558 HydrophobicContact CD1-CG 4.47Å; Y511-W558 AromaticContact CD2-CD1 3.23Å; Y511-W558 HydrophobicContact CD2-CD2 4.1Å; Y511-W558 AromaticContact CD2-CE2 3.57Å; Y511-W558 AromaticContact CD2-CG 3.89Å; Y511-W558 HydrophobicContact CD2-CG 3.89Å; Y511-W558 HydrophobicContact CD2-CZ2 4.25Å; Y511-W558 AromaticContact CD2-NE1 3Å; Y511-W558 AromaticContact CE2-CD1 3.28Å; Y511-W558 HydrophobicContact CE2-CG 4.06Å; Y511-W558 AromaticContact CE2-NE1 3.53Å; Y511-W558 AromaticContact CG-CD1 3.89Å; Y511-W558 HydrophobicContact CG-CD2 4.05Å; Y511-W558 AromaticContact CG-CE2 3.77Å; Y511-W558 HydrophobicContact CG-CG 4.09Å; Y511-W558 HydrophobicContact CG-CZ2 4.28Å; Y511-W558 AromaticContact CG-NE1 3.69Å; Y511-W558 AromaticContact CZ-CD1 3.97Å; Y511-M562 HydrophobicContact CD2-CE 4.34Å; Y511-M562 HydrophobicContact CE2-CE 4.34Å |
| 512 | Y | 93 | Very high | 91.2 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 162.1 | -176 | 55 | -81.1 | 0 | 0 | 0 | 112.1 | Y510 L514 D525 K542 | Y510-Y512 AromaticContact CD1-CD1 3.42Å; Y510-Y512 HydrophobicContact CD1-CD1 3.42Å; Y510-Y512 VanDerWaalsContact CD1-CD1 3.42Å; Y510-Y512 AromaticContact CD1-CE1 3.63Å; Y510-Y512 HydrophobicContact CD1-CE1 3.63Å; Y510-Y512 AromaticContact CE1-CD1 3.19Å; Y510-Y512 HydrophobicContact CE1-CD1 3.19Å; Y510-Y512 AromaticContact CE1-CE1 3.58Å; Y510-Y512 HydrophobicContact CE1-CE1 3.58Å; Y510-Y512 AromaticContact CE1-CG 3.93Å; Y510-Y512 HydrophobicContact CE1-CG 3.93Å; Y512-L514 HydrophobicContact CD2-CD2 3.99Å; Y512-L514 HydrophobicContact CD2-CG 4.46Å; Y512-L514 HydrophobicContact CE2-CD2 3.5Å; Y512-L514 VanDerWaalsContact CE2-CD2 3.5Å; Y512-L514 HydrophobicContact CE2-CG 4.27Å; Y512-D525 HydrophobicContact CD2-CB 3.51Å; Y512-D525 VanDerWaalsContact CD2-CG 3.44Å; Y512-D525 HydrophobicContact CE2-CB 3.66Å; Y512-D525 HydrophobicContact CG-CB 4.29Å; Y512-K542 HydrophobicContact CD2-CB 4.41Å; Y512-K542 HydrophobicContact CE1-CB 4.33Å; Y512-K542 HydrophobicContact CE1-CD 4.18Å; Y512-K542 HydrophobicContact CE1-CG 4.11Å; Y512-K542 HydrophobicContact CE2-CB 4.19Å; Y512-K542 HydrophobicContact CE2-CD 4.05Å; Y512-K542 HydrophobicContact CE2-CG 4.46Å; Y512-K542 PolarHBondContact N-O 2.86Å; Y512-K542 PolarHBondContact O-N 2.77Å; Y512-K542 VanDerWaalsContact OH-CD 3.29Å; Y512-K542 WeakPolarHBondContact OH-CD 3.41Å; Y512-K542 WeakPolarHBondContact OH-CE 3.44Å |
| 513 | E | 95.1 | Very high | 91.3 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.6 | 174.7 | -165.8 | -174 | 161.4 | 0 | 0 | 109.3 | L526 K534 I539 I540 L541 | E513-L526 HydrophobicContact CB-CD1 3.87Å; E513-L526 HydrophobicContact CG-CD1 3.6Å; E513-L526 PolarHBondContact O-N 3.18Å; E513-L526 VanDerWaalsContact O-N 3.08Å; E513-K534 WeakPolarHBondContact OE1-CD 3.37Å; E513-K534 WeakPolarHBondContact OE1-CE 3.39Å; E513-K534 IonicContact OE1-NZ 3.97Å; E513-K534 PolarHBondContact OE1-NZ 3.49Å; E513-K534 IonicContact OE2-NZ 3.36Å; E513-K534 PolarHBondContact OE2-NZ 3.29Å; E513-I539 HydrophobicContact CG-CG2 4.16Å; E513-I540 CarbonylContact C-O 3.6Å; E513-I540 WeakPolarHBondContact CA-O 3.41Å; E513-I540 WeakPolarHBondContact CG-O 3.46Å; E513-L541 HydrophobicContact CB-CD2 4.4Å; E513-L541 HydrophobicContact CG-CD2 4.24Å |
| 514 | L | 95.2 | Very high | 91.4 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137.9 | 178.3 | -70.2 | 173.7 | 0 | 0 | 0 | 110.8 | Y512 V524 I540 K542 I715 | Y512-L514 HydrophobicContact CD2-CD2 3.99Å; Y512-L514 HydrophobicContact CD2-CG 4.46Å; Y512-L514 HydrophobicContact CE2-CD2 3.5Å; Y512-L514 VanDerWaalsContact CE2-CD2 3.5Å; Y512-L514 HydrophobicContact CE2-CG 4.27Å; L514-V524 WeakPolarHBondContact CA-O 3.42Å; L514-V524 VanDerWaalsContact CD2-C 3.46Å; L514-I540 HydrophobicContact CB-CB 3.91Å; L514-I540 HydrophobicContact CB-CG2 3.77Å; L514-I540 HydrophobicContact CD1-CG2 3.79Å; L514-I540 HydrophobicContact CG-CG2 4.32Å; L514-I540 PolarHBondContact N-O 3.29Å; L514-K542 HydrophobicContact CD1-CB 4.02Å; L514-K542 HydrophobicContact CD1-CD 4.24Å; L514-K542 HydrophobicContact CG-CB 4.15Å; L514-I715 HydrophobicContact CD1-CD1 3.76Å |
| 515 | G | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 154.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y523 V524 V533 | G515-Y523 CarbonylContact O-C 3.44Å; G515-Y523 VanDerWaalsContact O-CA 3.25Å; G515-Y523 WeakPolarHBondContact O-CA 3.21Å; G515-V524 PolarHBondContact N-O 3.35Å; G515-V524 PolarHBondContact O-N 2.92Å; G515-V533 WeakPolarHBondContact CA-O 3.31Å |
| 516 | Q | 96.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131.5 | 177.8 | -169.4 | 178.9 | -3.7 | 0 | 0 | 109.6 | T520 Y523 V533 L535 | Q516-T520 PolarHBondContact NE2-O 3.09Å; Q516-Y523 HydrophobicContact CB-CD1 3.9Å; Q516-Y523 HydrophobicContact CB-CE1 3.66Å; Q516-Y523 HydrophobicContact CG-CD1 4.24Å; Q516-Y523 HydrophobicContact CG-CE1 3.76Å; Q516-V533 PolarHBondContact N-O 2.88Å; Q516-V533 PolarHBondContact O-N 3.29Å; Q516-L535 HydrophobicContact CB-CD2 4.48Å |
| 517 | I | 94.6 | Very high | 91.6 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 126.7 | 165.6 | -62.7 | -64 | 0 | 0 | 0 | 107.8 | N519 T520 I522 V524 E531 A532 | I517-N519 PolarHBondContact O-N 3.38Å; I517-T520 WeakPolarHBondContact CB-OG1 3.07Å; I517-T520 HydrophobicContact CG2-CG2 4.05Å; I517-T520 PolarHBondContact O-N 3.47Å; I517-T520 VanDerWaalsContact O-N 3.14Å; I517-T520 PolarHBondContact O-OG1 2.96Å; I517-I522 HydrophobicContact CG1-CG2 4.39Å; I517-I522 PolarHBondContact N-O 3.26Å; I517-V524 HydrophobicContact CD1-CG2 3.86Å; I517-V524 HydrophobicContact CG1-CG2 4.04Å; I517-E531 HydrophobicContact CD1-CB 4.13Å; I517-A532 HydrophobicContact CD1-CB 4.16Å |
| 518 | P | 91.4 | Very high | 91.6 | Very high | 71 Ų | 71 | 61 Ų | 61 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 135.6 | -172.4 | -29.4 | 34.2 | 0 | 0 | 0 | 113.4 | T520 E531 V533 | P518-T520 PolarHBondContact O-N 2.99Å; P518-T520 VanDerWaalsContact O-N 3.17Å; P518-E531 VanDerWaalsContact CD-O 3.29Å; P518-E531 WeakPolarHBondContact CD-O 3.44Å; P518-V533 HydrophobicContact CG-CG2 3.95Å |
| 519 | N | 86.9 | Confident | 92.1 | Very high | 169 Ų | 169 | 62.3 Ų | 62.3 | 90% | 0.904 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 20.2 | 178 | -52.2 | -43.6 | 0 | 0 | 0 | 115.6 | I517 | I517-N519 PolarHBondContact O-N 3.38Š|
| 520 | T | 90.3 | Very high | 92.3 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.27 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -125.8 | 167.9 | 175.7 | 74.5 | 0 | 0 | 0 | 0 | 111.4 | Q516 I517 P518 I522 | Q516-T520 PolarHBondContact NE2-O 3.09Å; I517-T520 WeakPolarHBondContact CB-OG1 3.07Å; I517-T520 HydrophobicContact CG2-CG2 4.05Å; I517-T520 PolarHBondContact O-N 3.47Å; I517-T520 VanDerWaalsContact O-N 3.14Å; I517-T520 PolarHBondContact O-OG1 2.96Å; P518-T520 PolarHBondContact O-N 2.99Å; P518-T520 VanDerWaalsContact O-N 3.17Å; T520-I522 VanDerWaalsContact C-N 3.26Å; T520-I522 WeakPolarHBondContact OG1-CB 3.39Å; T520-I522 PolarHBondContact OG1-N 3.45Å |
| 521 | N | 89.5 | Confident | 92.6 | Very high | 93 Ų | 93 | 71.1 Ų | 71.1 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -91.2 | 17.1 | 169.3 | 63.5 | -9.5 | 0 | 0 | 0 | 112.7 | Y523 H716 | N521-Y523 WeakPolarHBondContact O-CD2 3.43Å; N521-Y523 WeakPolarHBondContact O-CE2 3.45Å; N521-H716 HydrophobicContact CB-CB 4.28Å |
| 522 | I | 92.5 | Very high | 92.7 | Very high | 90 Ų | 90 | 67 Ų | 67 | 46% | 0.462 | 34% | 0.338 | S | S | . | . | trans | -96.2 | 126.9 | -173.3 | -57.9 | 173.5 | 0 | 0 | 0 | 109.2 | I517 T520 V524 | I517-I522 HydrophobicContact CG1-CG2 4.39Å; I517-I522 PolarHBondContact N-O 3.26Å; T520-I522 VanDerWaalsContact C-N 3.26Å; T520-I522 WeakPolarHBondContact OG1-CB 3.39Å; T520-I522 PolarHBondContact OG1-N 3.45Å; I522-V524 HydrophobicContact CG2-CG1 3.95Å | ||
| 523 | Y | 94.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.6 | 178.3 | -60.1 | -88.3 | 0 | 0 | 0 | 110.1 | G515 Q516 N521 L535 I540 I715 H716 V719 | G515-Y523 CarbonylContact O-C 3.44Å; G515-Y523 VanDerWaalsContact O-CA 3.25Å; G515-Y523 WeakPolarHBondContact O-CA 3.21Å; Q516-Y523 HydrophobicContact CB-CD1 3.9Å; Q516-Y523 HydrophobicContact CB-CE1 3.66Å; Q516-Y523 HydrophobicContact CG-CD1 4.24Å; Q516-Y523 HydrophobicContact CG-CE1 3.76Å; N521-Y523 WeakPolarHBondContact O-CD2 3.43Å; N521-Y523 WeakPolarHBondContact O-CE2 3.45Å; Y523-L535 HydrophobicContact CE1-CD1 4.32Å; Y523-I540 HydrophobicContact CD1-CD1 3.6Å; Y523-I540 HydrophobicContact CE1-CD1 3.62Å; Y523-I715 HydrophobicContact CD1-CG2 4.1Å; Y523-I715 HydrophobicContact CD2-CB 4.04Å; Y523-I715 HydrophobicContact CD2-CG2 3.64Å; Y523-I715 HydrophobicContact CE1-CG2 4.28Å; Y523-I715 HydrophobicContact CE2-CB 4.27Å; Y523-I715 HydrophobicContact CE2-CG2 3.82Å; Y523-I715 HydrophobicContact CG-CG2 3.78Å; Y523-H716 HydrophobicContact CE2-CB 3.9Å; Y523-H716 AromaticContact CE2-ND1 3.9Å; Y523-H716 AromaticContact CZ-ND1 3.98Å; Y523-H716 PolarHBondContact OH-ND1 2.96Å; Y523-V719 HydrophobicContact CE1-CG2 3.87Å; Y523-V719 VanDerWaalsContact OH-CB 3.25Å; Y523-V719 WeakPolarHBondContact OH-CB 3.45Å; Y523-V719 VanDerWaalsContact OH-CG1 3.3Å; Y523-V719 WeakPolarHBondContact OH-CG1 3.48Å; Y523-V719 WeakPolarHBondContact OH-CG2 3.42Å |
| 524 | V | 94.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 165.1 | -173.8 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | L514 G515 I517 I522 L526 H529 A532 | L514-V524 WeakPolarHBondContact CA-O 3.42Å; L514-V524 VanDerWaalsContact CD2-C 3.46Å; G515-V524 PolarHBondContact N-O 3.35Å; G515-V524 PolarHBondContact O-N 2.92Å; I517-V524 HydrophobicContact CD1-CG2 3.86Å; I517-V524 HydrophobicContact CG1-CG2 4.04Å; I522-V524 HydrophobicContact CG2-CG1 3.95Å; V524-L526 PolarHBondContact O-N 3.14Å; V524-H529 HydrophobicContact CG2-CB 3.63Å; V524-A532 HydrophobicContact CG2-CB 3.7Å |
| 525 | D | 94.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 116.8 | 178.9 | -173.8 | -9.5 | 0 | 0 | 0 | 110.7 | Y510 Y512 N527 R528 H529 | Y510-D525 PolarHBondContact OH-OD2 2.83Å; Y512-D525 HydrophobicContact CD2-CB 3.51Å; Y512-D525 VanDerWaalsContact CD2-CG 3.44Å; Y512-D525 HydrophobicContact CE2-CB 3.66Å; Y512-D525 HydrophobicContact CG-CB 4.29Å; D525-N527 PolarHBondContact O-N 3.31Å; D525-N527 WeakPolarHBondContact OD1-CB 3.43Å; D525-N527 PolarHBondContact OD1-N 2.9Å; D525-N527 PolarHBondContact OD1-ND2 3.32Å; D525-R528 HydrophobicContact CB-CB 4.25Å; D525-R528 HydrophobicContact CB-CG 4.24Å; D525-R528 PolarHBondContact O-N 3.15Å; D525-R528 IonicContact OD2-NE 3.41Å; D525-R528 PolarHBondContact OD2-NE 3.41Å; D525-H529 PolarHBondContact O-CD2 3.17Å; D525-H529 PolarHBondContact O-N 3.21Å; D525-H529 VanDerWaalsContact O-N 3.16Å |
| 526 | L | 92.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 79.2 Ų | 79.2 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26 | 178.6 | -81.2 | 157.4 | 0 | 0 | 0 | 113 | E513 V524 R528 A532 K534 | E513-L526 HydrophobicContact CB-CD1 3.87Å; E513-L526 HydrophobicContact CG-CD1 3.6Å; E513-L526 PolarHBondContact O-N 3.18Å; E513-L526 VanDerWaalsContact O-N 3.08Å; V524-L526 PolarHBondContact O-N 3.14Å; L526-R528 VanDerWaalsContact C-N 3.29Å; L526-A532 HydrophobicContact CD2-CB 3.99Å; L526-A532 VanDerWaalsContact CD2-O 3.26Å; L526-A532 WeakPolarHBondContact CD2-O 3.43Å; L526-K534 HydrophobicContact CD1-CD 4.48Å; L526-K534 HydrophobicContact CD1-CG 3.79Å; L526-K534 HydrophobicContact CD2-CG 4.06Å |
| 527 | N | 91 | Very high | 91.8 | Very high | 123 Ų | 123 | 78.7 Ų | 78.7 | 66% | 0.658 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.6 | 179.9 | -61.5 | -46.9 | 0 | 0 | 0 | 113.2 | D525 | D525-N527 PolarHBondContact O-N 3.31Å; D525-N527 WeakPolarHBondContact OD1-CB 3.43Å; D525-N527 PolarHBondContact OD1-N 2.9Å; D525-N527 PolarHBondContact OD1-ND2 3.32Å |
| 528 | R | 90.8 | Very high | 91.8 | Very high | 165 Ų | 165 | 77.4 Ų | 77.4 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -17.2 | -175.6 | -63.4 | -175.3 | -175.9 | -170.7 | 0.9 | 113.6 | Y510 D525 L526 | Y510-R528 PolarHBondContact OH-NE 3.15Å; Y510-R528 PolarHBondContact OH-NH2 3.06Å; D525-R528 HydrophobicContact CB-CB 4.25Å; D525-R528 HydrophobicContact CB-CG 4.24Å; D525-R528 PolarHBondContact O-N 3.15Å; D525-R528 IonicContact OD2-NE 3.41Å; D525-R528 PolarHBondContact OD2-NE 3.41Å; L526-R528 VanDerWaalsContact C-N 3.29Å |
| 529 | H | 92.7 | Very high | 91.9 | Very high | 89 Ų | 89 | 75.2 Ų | 75.2 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | trans | -129.7 | 101.6 | -174.2 | -63.7 | -82.3 | 0 | 0 | 0 | 110.2 | V524 D525 E531 A532 | V524-H529 HydrophobicContact CG2-CB 3.63Å; D525-H529 PolarHBondContact O-CD2 3.17Å; D525-H529 PolarHBondContact O-N 3.21Å; D525-H529 VanDerWaalsContact O-N 3.16Å; H529-E531 PolarHBondContact O-N 3.43Å; H529-A532 HydrophobicContact CB-CB 4.17Å; H529-A532 VanDerWaalsContact O-CB 3.32Å; H529-A532 WeakPolarHBondContact O-CB 3.44Å; H529-A532 PolarHBondContact O-N 3.44Å | ||
| 530 | D | 90.4 | Very high | 92.3 | Very high | 163 Ų | 163 | 67.3 Ų | 67.3 | 87% | 0.872 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.8 | -177.4 | -61.3 | -27.3 | 0 | 0 | 0 | 113.1 | A532 | D530-A532 VanDerWaalsContact C-N 3.3Š|
| 531 | E | 91.7 | Very high | 92.6 | Very high | 151 Ų | 151 | 65.2 Ų | 65.2 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.1 | 177.2 | -63.2 | -177.6 | 177.3 | 0 | 0 | 113.6 | I517 P518 H529 | I517-E531 HydrophobicContact CD1-CB 4.13Å; P518-E531 VanDerWaalsContact CD-O 3.29Å; P518-E531 WeakPolarHBondContact CD-O 3.44Å; H529-E531 PolarHBondContact O-N 3.43Å |
| 532 | A | 93.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | trans | -76.2 | 130.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I517 V524 L526 H529 D530 | I517-A532 HydrophobicContact CD1-CB 4.16Å; V524-A532 HydrophobicContact CG2-CB 3.7Å; L526-A532 HydrophobicContact CD2-CB 3.99Å; L526-A532 VanDerWaalsContact CD2-O 3.26Å; L526-A532 WeakPolarHBondContact CD2-O 3.43Å; H529-A532 HydrophobicContact CB-CB 4.17Å; H529-A532 VanDerWaalsContact O-CB 3.32Å; H529-A532 WeakPolarHBondContact O-CB 3.44Å; H529-A532 PolarHBondContact O-N 3.44Å; D530-A532 VanDerWaalsContact C-N 3.3Å | ||
| 533 | V | 93.1 | Very high | 92.7 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -110.2 | 137.5 | -174.3 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | G515 Q516 P518 | G515-V533 WeakPolarHBondContact CA-O 3.31Å; Q516-V533 PolarHBondContact N-O 2.88Å; Q516-V533 PolarHBondContact O-N 3.29Å; P518-V533 HydrophobicContact CG-CG2 3.95Å |
| 534 | K | 92.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 143.5 | 171.6 | -65.5 | -171 | -179.7 | -136 | 0 | 110.8 | E513 L526 | E513-K534 WeakPolarHBondContact OE1-CD 3.37Å; E513-K534 WeakPolarHBondContact OE1-CE 3.39Å; E513-K534 IonicContact OE1-NZ 3.97Å; E513-K534 PolarHBondContact OE1-NZ 3.49Å; E513-K534 IonicContact OE2-NZ 3.36Å; E513-K534 PolarHBondContact OE2-NZ 3.29Å; L526-K534 HydrophobicContact CD1-CD 4.48Å; L526-K534 HydrophobicContact CD1-CG 3.79Å; L526-K534 HydrophobicContact CD2-CG 4.06Å |
| 535 | L | 91.5 | Very high | 92 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -92.3 | 131.4 | 178.7 | -66.4 | 176.4 | 0 | 0 | 0 | 111.1 | Q516 Y523 G537 I538 I540 V719 | Q516-L535 HydrophobicContact CB-CD2 4.48Å; Y523-L535 HydrophobicContact CE1-CD1 4.32Å; L535-G537 PolarHBondContact O-N 3.34Å; L535-I538 HydrophobicContact CB-CB 4.03Å; L535-I538 HydrophobicContact CB-CD1 4.42Å; L535-I538 PolarHBondContact O-N 3.49Å; L535-I540 HydrophobicContact CD1-CD1 4.29Å; L535-V719 HydrophobicContact CD1-CB 4.47Å; L535-V719 HydrophobicContact CD1-CG1 3.47Å; L535-V719 VanDerWaalsContact CD1-CG1 3.47Å; L535-V719 HydrophobicContact CD1-CG2 4.1Å |
| 536 | P | 89.3 | Confident | 91.9 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 71% | 0.714 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 125.9 | -179.1 | 25.6 | -33 | 0 | 0 | 0 | 110.6 | I538 | P536-I538 PolarHBondContact O-N 2.98Š|
| 537 | G | 89.9 | Confident | 91.9 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 4.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L535 Q648 K650 F651 | L535-G537 PolarHBondContact O-N 3.34Å; G537-Q648 WeakPolarHBondContact CA-O 3.37Å; G537-K650 PolarHBondContact O-N 2.85Å; G537-F651 PolarHBondContact O-N 2.78Å; G537-F651 VanDerWaalsContact O-N 3.1Å |
| 538 | I | 93.8 | Very high | 92 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.9 | 179 | -52.8 | 168.5 | 0 | 0 | 0 | 109 | L535 P536 I540 F651 I653 C722 Q723 L726 | L535-I538 HydrophobicContact CB-CB 4.03Å; L535-I538 HydrophobicContact CB-CD1 4.42Å; L535-I538 PolarHBondContact O-N 3.49Å; P536-I538 PolarHBondContact O-N 2.98Å; I538-I540 HydrophobicContact CG2-CG1 4.18Å; I538-F651 WeakPolarHBondContact CA-O 3.36Å; I538-F651 HydrophobicContact CG1-CB 4.3Å; I538-F651 HydrophobicContact CG2-CB 4.44Å; I538-I653 HydrophobicContact CG2-CD1 3.66Å; I538-I653 HydrophobicContact CG2-CG1 4.08Å; I538-C722 HydrophobicContact CD1-CB 3.43Å; I538-C722 VanDerWaalsContact CD1-CB 3.43Å; I538-C722 HydrophobicContact CG1-CB 3.85Å; I538-Q723 HydrophobicContact CD1-CG 3.94Å; I538-L726 HydrophobicContact CD1-CD1 3.96Å; I538-L726 HydrophobicContact CG1-CD1 3.76Å |
| 539 | I | 94.7 | Very high | 92.1 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.6 | 169.4 | -67.2 | 173.4 | 0 | 0 | 0 | 108.5 | E513 L541 L649 F651 I652 I653 | E513-I539 HydrophobicContact CG-CG2 4.16Å; I539-L541 HydrophobicContact CG2-CD1 4.43Å; I539-L541 HydrophobicContact CG2-CD2 3.48Å; I539-L541 VanDerWaalsContact CG2-CD2 3.48Å; I539-L541 HydrophobicContact CG2-CG 3.74Å; I539-L649 HydrophobicContact CB-CD1 4.1Å; I539-L649 HydrophobicContact CD1-CD1 3.6Å; I539-L649 HydrophobicContact CD1-CD2 3.83Å; I539-L649 HydrophobicContact CD1-CG 4.35Å; I539-L649 HydrophobicContact CG1-CD1 3.55Å; I539-F651 PolarHBondContact N-O 2.8Å; I539-I652 CarbonylContact O-C 3.26Å; I539-I652 WeakPolarHBondContact O-CA 3.26Å; I539-I653 PolarHBondContact O-N 3.27Å |
| 540 | I | 95.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.2 | 177.4 | -48.1 | 175.6 | 0 | 0 | 0 | 107.9 | E513 L514 Y523 L535 I538 I653 I715 V719 | E513-I540 CarbonylContact C-O 3.6Å; E513-I540 WeakPolarHBondContact CA-O 3.41Å; E513-I540 WeakPolarHBondContact CG-O 3.46Å; L514-I540 HydrophobicContact CB-CB 3.91Å; L514-I540 HydrophobicContact CB-CG2 3.77Å; L514-I540 HydrophobicContact CD1-CG2 3.79Å; L514-I540 HydrophobicContact CG-CG2 4.32Å; L514-I540 PolarHBondContact N-O 3.29Å; Y523-I540 HydrophobicContact CD1-CD1 3.6Å; Y523-I540 HydrophobicContact CE1-CD1 3.62Å; L535-I540 HydrophobicContact CD1-CD1 4.29Å; I538-I540 HydrophobicContact CG2-CG1 4.18Å; I540-I653 CarbonylContact C-O 3.55Å; I540-I653 WeakPolarHBondContact CA-O 3.43Å; I540-I653 HydrophobicContact CB-CB 4.49Å; I540-I653 HydrophobicContact CG1-CB 4.28Å; I540-I653 HydrophobicContact CG1-CD1 4.25Å; I540-I653 HydrophobicContact CG2-CB 4.22Å; I540-I653 HydrophobicContact CG2-CG2 4.21Å; I540-I715 HydrophobicContact CD1-CG2 4.03Å; I540-I715 HydrophobicContact CG2-CG2 3.97Å; I540-V719 HydrophobicContact CD1-CG2 3.58Å; I540-V719 HydrophobicContact CG1-CG2 4.39Å |
| 541 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.7 | -174.1 | -64.5 | -174.9 | 0 | 0 | 0 | 110.2 | E513 I539 W558 I559 M562 I652 I653 L654 D655 | E513-L541 HydrophobicContact CB-CD2 4.4Å; E513-L541 HydrophobicContact CG-CD2 4.24Å; I539-L541 HydrophobicContact CG2-CD1 4.43Å; I539-L541 HydrophobicContact CG2-CD2 3.48Å; I539-L541 VanDerWaalsContact CG2-CD2 3.48Å; I539-L541 HydrophobicContact CG2-CG 3.74Å; L541-W558 HydrophobicContact CB-CH2 3.63Å; L541-W558 HydrophobicContact CB-CZ2 4.07Å; L541-W558 HydrophobicContact CB-CZ3 4.39Å; L541-W558 HydrophobicContact CD1-CH2 4.32Å; L541-W558 HydrophobicContact CD1-CZ2 4.49Å; L541-W558 HydrophobicContact CD2-CH2 4.47Å; L541-W558 HydrophobicContact CD2-CZ2 4.07Å; L541-W558 HydrophobicContact CG-CH2 4.36Å; L541-W558 HydrophobicContact CG-CZ2 4.44Å; L541-I559 HydrophobicContact CD1-CG1 4.1Å; L541-I559 HydrophobicContact CD1-CG2 4.47Å; L541-M562 HydrophobicContact CD1-CB 4.31Å; L541-M562 HydrophobicContact CD2-CB 3.83Å; L541-M562 HydrophobicContact CD2-CG 4.01Å; L541-I652 HydrophobicContact CD1-CG2 3.98Å; L541-I652 HydrophobicContact CG-CG2 4.39Å; L541-I653 PolarHBondContact N-O 3Å; L541-L654 HydrophobicContact CB-CD1 4.08Å; L541-L654 CarbonylContact O-C 3.32Å; L541-L654 WeakPolarHBondContact O-CA 3.31Å; L541-D655 PolarHBondContact O-N 3.32Å |
| 542 | K | 93.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.2 | 174.8 | -176.5 | 159.8 | -179 | 137 | 0 | 110.9 | Y511 Y512 L514 D655 S657 S658 | Y511-K542 WeakPolarHBondContact CA-O 3.25Å; Y512-K542 HydrophobicContact CD2-CB 4.41Å; Y512-K542 HydrophobicContact CE1-CB 4.33Å; Y512-K542 HydrophobicContact CE1-CD 4.18Å; Y512-K542 HydrophobicContact CE1-CG 4.11Å; Y512-K542 HydrophobicContact CE2-CB 4.19Å; Y512-K542 HydrophobicContact CE2-CD 4.05Å; Y512-K542 HydrophobicContact CE2-CG 4.46Å; Y512-K542 PolarHBondContact N-O 2.86Å; Y512-K542 PolarHBondContact O-N 2.77Å; Y512-K542 VanDerWaalsContact OH-CD 3.29Å; Y512-K542 WeakPolarHBondContact OH-CD 3.41Å; Y512-K542 WeakPolarHBondContact OH-CE 3.44Å; L514-K542 HydrophobicContact CD1-CB 4.02Å; L514-K542 HydrophobicContact CD1-CD 4.24Å; L514-K542 HydrophobicContact CG-CB 4.15Å; K542-D655 HydrophobicContact CB-CB 4.22Å; K542-D655 HydrophobicContact CD-CB 4.49Å; K542-D655 WeakPolarHBondContact CD-OD2 3.47Å; K542-D655 WeakPolarHBondContact CE-OD2 3.11Å; K542-D655 HydrophobicContact CG-CB 4.26Å; K542-D655 IonicContact NZ-OD2 3.32Å; K542-D655 PolarHBondContact NZ-OD2 2.87Å; K542-S657 PolarHBondContact NZ-OG 2.75Å; K542-S658 WeakPolarHBondContact CE-OG 3.47Å |
| 543 | Y | 90.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 111.2 | 177.2 | -165.7 | -95.1 | 0 | 0 | 0 | 109.8 | T509 Y511 G545 N551 F555 W558 W659 | T509-Y543 HydrophobicContact CG2-CD1 4.03Å; T509-Y543 HydrophobicContact CG2-CE1 3.75Å; T509-Y543 HydrophobicContact CG2-CE2 4.46Å; T509-Y543 HydrophobicContact CG2-CG 4.49Å; Y511-Y543 HydrophobicContact CD1-CE2 4.1Å; Y543-G545 WeakPolarHBondContact CD1-O 3.42Å; Y543-G545 PolarHBondContact O-N 2.84Å; Y543-N551 PolarHBondContact OH-ND2 3.26Å; Y543-F555 HydrophobicContact CD1-CD2 4.31Å; Y543-F555 AromaticContact CD2-CD2 3.6Å; Y543-F555 HydrophobicContact CD2-CD2 3.6Å; Y543-F555 HydrophobicContact CD2-CE2 4.05Å; Y543-F555 HydrophobicContact CE1-CD2 4.45Å; Y543-F555 HydrophobicContact CE2-CB 4.46Å; Y543-F555 AromaticContact CE2-CD2 3.77Å; Y543-F555 HydrophobicContact CE2-CD2 3.77Å; Y543-F555 AromaticContact CG-CD2 3.89Å; Y543-F555 HydrophobicContact CG-CD2 3.89Å; Y543-F555 HydrophobicContact CG-CE2 4Å; Y543-W558 AromaticContact CD2-CE3 3.81Å; Y543-W558 HydrophobicContact CD2-CE3 3.81Å; Y543-W558 HydrophobicContact CD2-CH2 4.21Å; Y543-W558 AromaticContact CD2-CZ3 3.64Å; Y543-W558 HydrophobicContact CD2-CZ3 3.64Å; Y543-W558 HydrophobicContact CE2-CE3 4.37Å; Y543-W558 HydrophobicContact CG-CZ3 4.26Å; Y543-W659 AromaticContact CD1-NE1 3.72Å |
| 544 | G | 86.9 | Confident | 92.1 | Very high | 37 Ų | 37 | 39 Ų | 39 | 38% | 0.381 | 21% | 0.214 | S | C | . | . | trans | -79.9 | 24.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y510 | Y510-G544 WeakPolarHBondContact O-CA 3.3Å; Y510-G544 PolarHBondContact O-N 3.4Å | ||
| 545 | G | 87.4 | Confident | 92.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -167.4 | 177.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T509 Y543 | T509-G545 VanDerWaalsContact CG2-CA 3.43Å; Y543-G545 WeakPolarHBondContact CD1-O 3.42Å; Y543-G545 PolarHBondContact O-N 2.84Å |
| 546 | P | 91.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | trans | -68.4 | 159.3 | -175.3 | 31.4 | -35.9 | 0 | 0 | 0 | 111.3 | Y548 N551 Y661 | P546-Y548 HydrophobicContact CG-CD1 4.33Å; P546-Y548 HydrophobicContact CG-CE1 4.33Å; P546-N551 PolarHBondContact O-ND2 3.08Å; P546-Y661 HydrophobicContact CB-CD1 3.61Å; P546-Y661 HydrophobicContact CB-CE1 3.43Å; P546-Y661 VanDerWaalsContact CB-CE1 3.43Å; P546-Y661 HydrophobicContact CB-CG 4.24Å; P546-Y661 HydrophobicContact CG-CD1 4.4Å; P546-Y661 HydrophobicContact CG-CE1 3.82Å | ||
| 547 | L | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 119 | 173.1 | -175.9 | 67.2 | 0 | 0 | 0 | 110.1 | F555 W659 Y661 L662 D663 V670 | L547-F555 HydrophobicContact CD1-CB 3.61Å; L547-F555 HydrophobicContact CD1-CD1 3.83Å; L547-F555 HydrophobicContact CD1-CD2 4.18Å; L547-F555 HydrophobicContact CD1-CG 3.61Å; L547-F555 HydrophobicContact CD2-CD1 3.97Å; L547-F555 HydrophobicContact CD2-CE1 3.93Å; L547-F555 HydrophobicContact CD2-CG 4.45Å; L547-F555 HydrophobicContact CD2-CZ 4.39Å; L547-W659 HydrophobicContact CB-CD2 4.33Å; L547-W659 HydrophobicContact CB-CE3 4.18Å; L547-W659 HydrophobicContact CB-CH2 3.93Å; L547-W659 HydrophobicContact CB-CZ2 4.04Å; L547-W659 HydrophobicContact CB-CZ3 4Å; L547-W659 HydrophobicContact CD2-CH2 3.31Å; L547-W659 HydrophobicContact CD2-CZ2 3.86Å; L547-W659 HydrophobicContact CD2-CZ3 3.87Å; L547-W659 HydrophobicContact CG-CH2 4.24Å; L547-Y661 PolarHBondContact N-O 3Å; L547-L662 HydrophobicContact CB-CD1 3.88Å; L547-L662 HydrophobicContact CD2-CD1 4Å; L547-L662 HydrophobicContact CG-CD1 4.13Å; L547-L662 WeakPolarHBondContact O-CA 3.13Å; L547-L662 WeakPolarHBondContact O-CD1 3.38Å; L547-D663 PolarHBondContact O-N 2.68Å; L547-V670 HydrophobicContact CD2-CG2 3.44Å; L547-V670 VanDerWaalsContact CD2-CG2 3.44Å |
| 548 | Y | 93.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | trans | -153.1 | 178 | -175.2 | 71.3 | -73.7 | 0 | 0 | 0 | 111.4 | T506 P546 A550 N551 S552 Y661 D663 | T506-Y548 PolarHBondContact OG1-OH 3.19Å; P546-Y548 HydrophobicContact CG-CD1 4.33Å; P546-Y548 HydrophobicContact CG-CE1 4.33Å; Y548-A550 HydrophobicContact CD2-CB 3.89Å; Y548-A550 HydrophobicContact CE1-CB 4.46Å; Y548-A550 HydrophobicContact CE2-CB 3.22Å; Y548-A550 PolarHBondContact O-N 3.3Å; Y548-N551 WeakPolarHBondContact CD1-OD1 3.37Å; Y548-N551 PolarHBondContact N-OD1 3.45Å; Y548-N551 PolarHBondContact O-N 2.78Å; Y548-N551 VanDerWaalsContact O-N 3.09Å; Y548-N551 PolarHBondContact O-OD1 2.94Å; Y548-S552 WeakPolarHBondContact O-CB 3.17Å; Y548-S552 PolarHBondContact O-N 3.05Å; Y548-Y661 HydrophobicContact CD1-CE2 4.5Å; Y548-Y661 WeakPolarHBondContact CD1-OH 3.28Å; Y548-Y661 HydrophobicContact CG-CE2 4.15Å; Y548-D663 VanDerWaalsContact CA-CG 3.46Å; Y548-D663 WeakPolarHBondContact CA-OD1 3.45Å; Y548-D663 WeakPolarHBondContact CA-OD2 3.34Å; Y548-D663 WeakPolarHBondContact CB-OD2 3.34Å | ||
| 549 | Y | 93.8 | Very high | 92.5 | Very high | 158 Ų | 158 | 32.2 Ų | 32.2 | 62% | 0.62 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -28.7 | -174.3 | 74.1 | -91.7 | 0 | 0 | 0 | 115.3 | S552 D663 | Y549-S552 PolarHBondContact O-OG 2.87Å; Y549-D663 WeakPolarHBondContact CD1-OD2 3.38Å; Y549-D663 PolarHBondContact N-OD2 3.26Å |
| 550 | A | 92.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -21.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q507 Y548 | Q507-A550 HydrophobicContact CG-CB 4.37Å; Q507-A550 WeakPolarHBondContact CG-O 3.49Å; Q507-A550 PolarHBondContact NE2-O 2.79Å; Y548-A550 HydrophobicContact CD2-CB 3.89Å; Y548-A550 HydrophobicContact CE1-CB 4.46Å; Y548-A550 HydrophobicContact CE2-CB 3.22Å; Y548-A550 PolarHBondContact O-N 3.3Å |
| 551 | N | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 1.5 | -178.4 | 66.7 | -1.6 | 0 | 0 | 0 | 114 | Q507 Y543 P546 Y548 E553 S554 F555 | Q507-N551 HydrophobicContact CG-CB 4.24Å; Y543-N551 PolarHBondContact OH-ND2 3.26Å; P546-N551 PolarHBondContact O-ND2 3.08Å; Y548-N551 WeakPolarHBondContact CD1-OD1 3.37Å; Y548-N551 PolarHBondContact N-OD1 3.45Å; Y548-N551 PolarHBondContact O-N 2.78Å; Y548-N551 VanDerWaalsContact O-N 3.09Å; Y548-N551 PolarHBondContact O-OD1 2.94Å; N551-E553 PolarHBondContact O-N 2.78Å; N551-S554 PolarHBondContact O-N 3.22Å; N551-F555 VanDerWaalsContact O-CB 3.31Å; N551-F555 WeakPolarHBondContact O-CB 3.36Å; N551-F555 PolarHBondContact O-N 3.25Å |
| 552 | S | 92.9 | Very high | 92 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | -179.7 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | Y548 Y549 F555 Q556 T669 | Y548-S552 WeakPolarHBondContact O-CB 3.17Å; Y548-S552 PolarHBondContact O-N 3.05Å; Y549-S552 PolarHBondContact O-OG 2.87Å; S552-F555 WeakPolarHBondContact O-CB 3.42Å; S552-F555 PolarHBondContact O-N 3.03Å; S552-Q556 PolarHBondContact O-N 3.39Å; S552-T669 WeakPolarHBondContact CB-OG1 3.5Å |
| 553 | E | 91.6 | Very high | 91.8 | Very high | 138 Ų | 138 | 38.6 Ų | 38.6 | 65% | 0.645 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -66.1 | -44.3 | 178 | -174.8 | 176.6 | -175.4 | 0 | 0 | 111.4 | N551 F555 Q556 N557 | N551-E553 PolarHBondContact O-N 2.78Å; E553-F555 VanDerWaalsContact C-N 3.27Å; E553-F555 PolarHBondContact O-N 3.44Å; E553-Q556 PolarHBondContact O-N 2.81Å; E553-N557 WeakPolarHBondContact O-CB 3.49Å; E553-N557 VanDerWaalsContact O-CG 3.3Å; E553-N557 PolarHBondContact O-N 3.48Å; E553-N557 PolarHBondContact O-ND2 2.96Å |
| 554 | S | 91 | Very high | 91.6 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 47% | 0.469 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 175 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | N551 N557 W558 | N551-S554 PolarHBondContact O-N 3.22Å; S554-N557 PolarHBondContact O-N 2.72Å; S554-W558 VanDerWaalsContact O-CB 3.28Å; S554-W558 WeakPolarHBondContact O-CB 3.39Å; S554-W558 PolarHBondContact O-N 3.11Å |
| 555 | F | 93.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 175.8 | 172.9 | -100.5 | 0 | 0 | 0 | 112.1 | Y543 L547 N551 S552 E553 W558 I559 L654 W659 V670 I673 | Y543-F555 HydrophobicContact CD1-CD2 4.31Å; Y543-F555 AromaticContact CD2-CD2 3.6Å; Y543-F555 HydrophobicContact CD2-CD2 3.6Å; Y543-F555 HydrophobicContact CD2-CE2 4.05Å; Y543-F555 HydrophobicContact CE1-CD2 4.45Å; Y543-F555 HydrophobicContact CE2-CB 4.46Å; Y543-F555 AromaticContact CE2-CD2 3.77Å; Y543-F555 HydrophobicContact CE2-CD2 3.77Å; Y543-F555 AromaticContact CG-CD2 3.89Å; Y543-F555 HydrophobicContact CG-CD2 3.89Å; Y543-F555 HydrophobicContact CG-CE2 4Å; L547-F555 HydrophobicContact CD1-CB 3.61Å; L547-F555 HydrophobicContact CD1-CD1 3.83Å; L547-F555 HydrophobicContact CD1-CD2 4.18Å; L547-F555 HydrophobicContact CD1-CG 3.61Å; L547-F555 HydrophobicContact CD2-CD1 3.97Å; L547-F555 HydrophobicContact CD2-CE1 3.93Å; L547-F555 HydrophobicContact CD2-CG 4.45Å; L547-F555 HydrophobicContact CD2-CZ 4.39Å; N551-F555 VanDerWaalsContact O-CB 3.31Å; N551-F555 WeakPolarHBondContact O-CB 3.36Å; N551-F555 PolarHBondContact O-N 3.25Å; S552-F555 WeakPolarHBondContact O-CB 3.42Å; S552-F555 PolarHBondContact O-N 3.03Å; E553-F555 VanDerWaalsContact C-N 3.27Å; E553-F555 PolarHBondContact O-N 3.44Å; F555-W558 AromaticContact CD2-CE3 3.84Å; F555-W558 HydrophobicContact CD2-CE3 3.84Å; F555-W558 AromaticContact CD2-CZ3 3.99Å; F555-W558 HydrophobicContact CD2-CZ3 3.99Å; F555-W558 HydrophobicContact CE2-CE3 4.01Å; F555-W558 AromaticContact CE2-CZ3 3.72Å; F555-W558 HydrophobicContact CE2-CZ3 3.72Å; F555-W558 PolarHBondContact O-N 2.8Å; F555-I559 HydrophobicContact CD1-CD1 4.13Å; F555-I559 HydrophobicContact CE1-CD1 3.47Å; F555-I559 VanDerWaalsContact CE1-CD1 3.47Å; F555-I559 HydrophobicContact CE2-CD1 3.91Å; F555-I559 HydrophobicContact CE2-CG1 4.49Å; F555-I559 HydrophobicContact CZ-CD1 3.34Å; F555-I559 HydrophobicContact CZ-CG1 4.35Å; F555-I559 PolarHBondContact O-N 2.68Å; F555-L654 HydrophobicContact CE2-CD1 4.15Å; F555-L654 HydrophobicContact CE2-CD2 4.44Å; F555-L654 HydrophobicContact CZ-CD1 4.1Å; F555-L654 HydrophobicContact CZ-CD2 3.78Å; F555-W659 HydrophobicContact CE2-CZ2 4.04Å; F555-W659 HydrophobicContact CZ-CH2 4.36Å; F555-W659 AromaticContact CZ-CZ2 3.96Å; F555-W659 HydrophobicContact CZ-CZ2 3.96Å; F555-V670 HydrophobicContact CE1-CG2 4.39Å; F555-I673 HydrophobicContact CD1-CD1 3.86Å; F555-I673 HydrophobicContact CE1-CD1 3.72Å |
| 556 | Q | 93.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 176 | -175 | 174.8 | 7.7 | 0 | 0 | 111.6 | S552 E553 W558 I559 N560 H568 T669 I673 | S552-Q556 PolarHBondContact O-N 3.39Å; E553-Q556 PolarHBondContact O-N 2.81Å; Q556-W558 VanDerWaalsContact C-N 3.3Å; Q556-W558 PolarHBondContact O-N 3.08Å; Q556-I559 PolarHBondContact O-N 3.05Å; Q556-N560 PolarHBondContact O-N 2.87Å; Q556-N560 PolarHBondContact O-ND2 2.86Å; Q556-N560 PolarHBondContact O-OD1 3.2Å; Q556-H568 PolarHBondContact NE2-NE2 3.2Å; Q556-T669 HydrophobicContact CB-CG2 4.23Å; Q556-I673 HydrophobicContact CB-CD1 3.95Å; Q556-I673 HydrophobicContact CB-CG1 4.43Å; Q556-I673 HydrophobicContact CG-CD1 4Å; Q556-I673 HydrophobicContact CG-CG1 3.94Å |
| 557 | N | 92.8 | Very high | 91.6 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 177.1 | -71.8 | -26.9 | 0 | 0 | 0 | 112 | E553 S554 N560 Q561 | E553-N557 WeakPolarHBondContact O-CB 3.49Å; E553-N557 VanDerWaalsContact O-CG 3.3Å; E553-N557 PolarHBondContact O-N 3.48Å; E553-N557 PolarHBondContact O-ND2 2.96Å; S554-N557 PolarHBondContact O-N 2.72Å; N557-N560 PolarHBondContact O-N 3.31Å; N557-Q561 WeakPolarHBondContact O-CB 3.42Å; N557-Q561 PolarHBondContact O-N 3.29Å |
| 558 | W | 92.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.8 | 165.8 | 61.1 | 0 | 0 | 0 | 112.3 | Y511 L541 Y543 S554 F555 Q556 N560 Q561 M562 L654 | Y511-W558 HydrophobicContact CD1-CG 4.47Å; Y511-W558 AromaticContact CD2-CD1 3.23Å; Y511-W558 HydrophobicContact CD2-CD2 4.1Å; Y511-W558 AromaticContact CD2-CE2 3.57Å; Y511-W558 AromaticContact CD2-CG 3.89Å; Y511-W558 HydrophobicContact CD2-CG 3.89Å; Y511-W558 HydrophobicContact CD2-CZ2 4.25Å; Y511-W558 AromaticContact CD2-NE1 3Å; Y511-W558 AromaticContact CE2-CD1 3.28Å; Y511-W558 HydrophobicContact CE2-CG 4.06Å; Y511-W558 AromaticContact CE2-NE1 3.53Å; Y511-W558 AromaticContact CG-CD1 3.89Å; Y511-W558 HydrophobicContact CG-CD2 4.05Å; Y511-W558 AromaticContact CG-CE2 3.77Å; Y511-W558 HydrophobicContact CG-CG 4.09Å; Y511-W558 HydrophobicContact CG-CZ2 4.28Å; Y511-W558 AromaticContact CG-NE1 3.69Å; Y511-W558 AromaticContact CZ-CD1 3.97Å; L541-W558 HydrophobicContact CB-CH2 3.63Å; L541-W558 HydrophobicContact CB-CZ2 4.07Å; L541-W558 HydrophobicContact CB-CZ3 4.39Å; L541-W558 HydrophobicContact CD1-CH2 4.32Å; L541-W558 HydrophobicContact CD1-CZ2 4.49Å; L541-W558 HydrophobicContact CD2-CH2 4.47Å; L541-W558 HydrophobicContact CD2-CZ2 4.07Å; L541-W558 HydrophobicContact CG-CH2 4.36Å; L541-W558 HydrophobicContact CG-CZ2 4.44Å; Y543-W558 AromaticContact CD2-CE3 3.81Å; Y543-W558 HydrophobicContact CD2-CE3 3.81Å; Y543-W558 HydrophobicContact CD2-CH2 4.21Å; Y543-W558 AromaticContact CD2-CZ3 3.64Å; Y543-W558 HydrophobicContact CD2-CZ3 3.64Å; Y543-W558 HydrophobicContact CE2-CE3 4.37Å; Y543-W558 HydrophobicContact CG-CZ3 4.26Å; S554-W558 VanDerWaalsContact O-CB 3.28Å; S554-W558 WeakPolarHBondContact O-CB 3.39Å; S554-W558 PolarHBondContact O-N 3.11Å; F555-W558 AromaticContact CD2-CE3 3.84Å; F555-W558 HydrophobicContact CD2-CE3 3.84Å; F555-W558 AromaticContact CD2-CZ3 3.99Å; F555-W558 HydrophobicContact CD2-CZ3 3.99Å; F555-W558 HydrophobicContact CE2-CE3 4.01Å; F555-W558 AromaticContact CE2-CZ3 3.72Å; F555-W558 HydrophobicContact CE2-CZ3 3.72Å; F555-W558 PolarHBondContact O-N 2.8Å; Q556-W558 VanDerWaalsContact C-N 3.3Å; Q556-W558 PolarHBondContact O-N 3.08Å; W558-N560 VanDerWaalsContact C-N 3.31Å; W558-N560 PolarHBondContact O-N 3.04Å; W558-Q561 WeakPolarHBondContact O-CB 3.16Å; W558-Q561 PolarHBondContact O-N 3.32Å; W558-Q561 VanDerWaalsContact O-N 3.15Å; W558-M562 HydrophobicContact CG-CG 4.47Å; W558-M562 HydrophobicContact CZ2-CG 4.4Å; W558-M562 WeakPolarHBondContact O-CG 3.41Å; W558-M562 PolarHBondContact O-N 3.26Å; W558-L654 HydrophobicContact CZ3-CD1 4.28Å |
| 559 | I | 93.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 176.5 | -70.8 | 176.3 | 0 | 0 | 0 | 109.9 | L541 F555 Q556 Q561 M562 T563 I673 Y677 | L541-I559 HydrophobicContact CD1-CG1 4.1Å; L541-I559 HydrophobicContact CD1-CG2 4.47Å; F555-I559 HydrophobicContact CD1-CD1 4.13Å; F555-I559 HydrophobicContact CE1-CD1 3.47Å; F555-I559 VanDerWaalsContact CE1-CD1 3.47Å; F555-I559 HydrophobicContact CE2-CD1 3.91Å; F555-I559 HydrophobicContact CE2-CG1 4.49Å; F555-I559 HydrophobicContact CZ-CD1 3.34Å; F555-I559 HydrophobicContact CZ-CG1 4.35Å; F555-I559 PolarHBondContact O-N 2.68Å; Q556-I559 PolarHBondContact O-N 3.05Å; I559-Q561 VanDerWaalsContact C-N 3.26Å; I559-Q561 PolarHBondContact O-N 2.71Å; I559-M562 PolarHBondContact O-N 2.97Å; I559-T563 HydrophobicContact CG2-CG2 4.22Å; I559-T563 VanDerWaalsContact O-CG2 3.31Å; I559-T563 WeakPolarHBondContact O-CG2 3.44Å; I559-T563 PolarHBondContact O-N 3.5Å; I559-T563 PolarHBondContact O-OG1 2.91Å; I559-I673 HydrophobicContact CD1-CD1 4.1Å; I559-I673 HydrophobicContact CD1-CG2 4.33Å; I559-Y677 HydrophobicContact CG2-CE2 3.9Å |
| 560 | N | 93 | Very high | 90.7 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 177.7 | -63.2 | -18.1 | 0 | 0 | 0 | 112.7 | Q556 N557 W558 T563 N564 I565 P567 Y677 | Q556-N560 PolarHBondContact O-N 2.87Å; Q556-N560 PolarHBondContact O-ND2 2.86Å; Q556-N560 PolarHBondContact O-OD1 3.2Å; N557-N560 PolarHBondContact O-N 3.31Å; W558-N560 VanDerWaalsContact C-N 3.31Å; W558-N560 PolarHBondContact O-N 3.04Å; N560-T563 PolarHBondContact O-OG1 3.46Å; N560-N564 WeakPolarHBondContact O-CA 3.33Å; N560-N564 PolarHBondContact O-N 3.39Å; N560-N564 VanDerWaalsContact O-N 3.14Å; N560-I565 WeakPolarHBondContact CA-O 3.34Å; N560-I565 PolarHBondContact O-N 3.47Å; N560-I565 PolarHBondContact OD1-O 3.31Å; N560-P567 WeakPolarHBondContact OD1-CD 3.43Å; N560-Y677 PolarHBondContact OD1-OH 3.09Å |
| 561 | Q | 91.3 | Very high | 90.4 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70 | -42.9 | 175.6 | -173.9 | 179.8 | 7 | 0 | 0 | 111.8 | N557 W558 I559 N564 | N557-Q561 WeakPolarHBondContact O-CB 3.42Å; N557-Q561 PolarHBondContact O-N 3.29Å; W558-Q561 WeakPolarHBondContact O-CB 3.16Å; W558-Q561 PolarHBondContact O-N 3.32Å; W558-Q561 VanDerWaalsContact O-N 3.15Å; I559-Q561 VanDerWaalsContact C-N 3.26Å; I559-Q561 PolarHBondContact O-N 2.71Å; Q561-N564 PolarHBondContact O-N 2.91Å; Q561-N564 PolarHBondContact O-OD1 3.17Å |
| 562 | M | 89.3 | Confident | 90.1 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.5 | -34.2 | -179 | -70.8 | -61.1 | 175.2 | 0 | 0 | 112.8 | Y511 L541 W558 I559 N564 | Y511-M562 HydrophobicContact CD2-CE 4.34Å; Y511-M562 HydrophobicContact CE2-CE 4.34Å; L541-M562 HydrophobicContact CD1-CB 4.31Å; L541-M562 HydrophobicContact CD2-CB 3.83Å; L541-M562 HydrophobicContact CD2-CG 4.01Å; W558-M562 HydrophobicContact CG-CG 4.47Å; W558-M562 HydrophobicContact CZ2-CG 4.4Å; W558-M562 WeakPolarHBondContact O-CG 3.41Å; W558-M562 PolarHBondContact O-N 3.26Å; I559-M562 PolarHBondContact O-N 2.97Å; M562-N564 VanDerWaalsContact C-N 3.31Å |
| 563 | T | 90.2 | Very high | 90 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.9 | -13.5 | 175.9 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | I559 N560 I565 L649 I652 Y677 | I559-T563 HydrophobicContact CG2-CG2 4.22Å; I559-T563 VanDerWaalsContact O-CG2 3.31Å; I559-T563 WeakPolarHBondContact O-CG2 3.44Å; I559-T563 PolarHBondContact O-N 3.5Å; I559-T563 PolarHBondContact O-OG1 2.91Å; N560-T563 PolarHBondContact O-OG1 3.46Å; T563-I565 WeakPolarHBondContact O-CG1 3.41Å; T563-I565 PolarHBondContact O-N 2.71Å; T563-I565 PolarHBondContact OG1-N 3.48Å; T563-I565 PolarHBondContact OG1-O 3.41Å; T563-L649 HydrophobicContact CG2-CD2 3.96Å; T563-I652 HydrophobicContact CG2-CD1 3.52Å; T563-I652 HydrophobicContact CG2-CG1 4.14Å; T563-Y677 HydrophobicContact CG2-CE1 4.01Å; T563-Y677 PolarHBondContact OG1-OH 2.93Å |
| 564 | N | 87.8 | Confident | 89.8 | Confident | 128 Ų | 128 | 55.6 Ų | 55.6 | 68% | 0.684 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 21.9 | -165.1 | -68.9 | -42.6 | 0 | 0 | 0 | 113.6 | N560 Q561 M562 L645 | N560-N564 WeakPolarHBondContact O-CA 3.33Å; N560-N564 PolarHBondContact O-N 3.39Å; N560-N564 VanDerWaalsContact O-N 3.14Å; Q561-N564 PolarHBondContact O-N 2.91Å; Q561-N564 PolarHBondContact O-OD1 3.17Å; M562-N564 VanDerWaalsContact C-N 3.31Å; N564-L645 HydrophobicContact CB-CD2 4.21Å |
| 565 | I | 88.2 | Confident | 89.7 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | trans | -125.8 | 117 | -176.5 | -65 | 165.5 | 0 | 0 | 0 | 108.1 | N560 T563 P567 V570 T646 L649 Y677 L680 I682 | N560-I565 WeakPolarHBondContact CA-O 3.34Å; N560-I565 PolarHBondContact O-N 3.47Å; N560-I565 PolarHBondContact OD1-O 3.31Å; T563-I565 WeakPolarHBondContact O-CG1 3.41Å; T563-I565 PolarHBondContact O-N 2.71Å; T563-I565 PolarHBondContact OG1-N 3.48Å; T563-I565 PolarHBondContact OG1-O 3.41Å; I565-P567 WeakPolarHBondContact O-CD 3.35Å; I565-V570 HydrophobicContact CG2-CG2 4.31Å; I565-T646 HydrophobicContact CD1-CG2 4.12Å; I565-T646 HydrophobicContact CG1-CG2 4.34Å; I565-L649 HydrophobicContact CD1-CD2 4.19Å; I565-Y677 HydrophobicContact CB-CE1 4.44Å; I565-Y677 HydrophobicContact CG2-CE1 4.35Å; I565-Y677 PolarHBondContact O-OH 3.47Å; I565-L680 HydrophobicContact CG2-CD1 3.5Å; I565-L680 VanDerWaalsContact CG2-CD1 3.5Å; I565-I682 HydrophobicContact CD1-CD1 3.73Å | ||
| 566 | D | 89.5 | Confident | 89.5 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | trans | -97.3 | 102.1 | 168.8 | -177.4 | -20.2 | 0 | 0 | 0 | 108.5 | H568 K569 V570 | D566-H568 VanDerWaalsContact C-N 3.26Å; D566-H568 PolarHBondContact O-N 3.46Å; D566-H568 PolarHBondContact OD1-N 3Å; D566-K569 HydrophobicContact CB-CB 4.12Å; D566-K569 HydrophobicContact CB-CD 4Å; D566-K569 HydrophobicContact CB-CG 4.18Å; D566-K569 PolarHBondContact O-N 3.36Å; D566-K569 VanDerWaalsContact O-N 3.09Å; D566-K569 PolarHBondContact OD1-N 3.28Å; D566-K569 WeakPolarHBondContact OD2-CD 3.43Å; D566-K569 WeakPolarHBondContact OD2-CE 3.47Å; D566-K569 WeakPolarHBondContact OD2-CG 3.35Å; D566-K569 IonicContact OD2-NZ 3.96Å; D566-K569 PolarHBondContact OD2-NZ 3.22Å; D566-V570 WeakPolarHBondContact O-CG2 3.29Å; D566-V570 PolarHBondContact O-N 3.15Å | ||
| 567 | P | 87.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -36 | -170.5 | 25.3 | -34.5 | 0 | 0 | 0 | 112 | N560 I565 K569 V570 I571 Y677 L680 | N560-P567 WeakPolarHBondContact OD1-CD 3.43Å; I565-P567 WeakPolarHBondContact O-CD 3.35Å; P567-K569 VanDerWaalsContact C-N 3.33Å; P567-K569 PolarHBondContact O-N 2.63Å; P567-V570 PolarHBondContact O-N 3Å; P567-I571 HydrophobicContact CB-CD1 4.34Å; P567-I571 VanDerWaalsContact O-CB 3.29Å; P567-I571 WeakPolarHBondContact O-CB 3.4Å; P567-I571 VanDerWaalsContact O-CD1 3.26Å; P567-I571 WeakPolarHBondContact O-CD1 3.5Å; P567-I571 WeakPolarHBondContact O-CG1 3.46Å; P567-I571 PolarHBondContact O-N 3.04Å; P567-Y677 HydrophobicContact CG-CD2 4.18Å; P567-Y677 HydrophobicContact CG-CE2 3.88Å; P567-L680 HydrophobicContact CB-CD1 3.88Å |
| 568 | H | 86.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 178.4 | -65.6 | -59 | 0 | 0 | 0 | 112.4 | Q556 D566 K572 | Q556-H568 PolarHBondContact NE2-NE2 3.2Å; D566-H568 VanDerWaalsContact C-N 3.26Å; D566-H568 PolarHBondContact O-N 3.46Å; D566-H568 PolarHBondContact OD1-N 3Å; H568-K572 WeakPolarHBondContact O-CB 3.33Å; H568-K572 PolarHBondContact O-N 2.8Å; H568-K572 VanDerWaalsContact O-N 3.1Å |
| 569 | K | 88.1 | Confident | 89.1 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69 | -46.2 | 175.1 | -72.1 | 179.6 | -171.6 | 132.8 | 0 | 111.4 | D566 P567 K572 Q573 | D566-K569 HydrophobicContact CB-CB 4.12Å; D566-K569 HydrophobicContact CB-CD 4Å; D566-K569 HydrophobicContact CB-CG 4.18Å; D566-K569 PolarHBondContact O-N 3.36Å; D566-K569 VanDerWaalsContact O-N 3.09Å; D566-K569 PolarHBondContact OD1-N 3.28Å; D566-K569 WeakPolarHBondContact OD2-CD 3.43Å; D566-K569 WeakPolarHBondContact OD2-CE 3.47Å; D566-K569 WeakPolarHBondContact OD2-CG 3.35Å; D566-K569 IonicContact OD2-NZ 3.96Å; D566-K569 PolarHBondContact OD2-NZ 3.22Å; P567-K569 VanDerWaalsContact C-N 3.33Å; P567-K569 PolarHBondContact O-N 2.63Å; K569-K572 PolarHBondContact O-N 2.93Å; K569-Q573 WeakPolarHBondContact O-CB 3.18Å; K569-Q573 PolarHBondContact O-N 3.33Å |
| 570 | V | 87 | Confident | 89 | Confident | 32 Ų | 32 | 78 Ų | 78 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -46.3 | -179.5 | 178 | 0 | 0 | 0 | 0 | 110.8 | I565 D566 P567 K572 Q573 R574 L680 | I565-V570 HydrophobicContact CG2-CG2 4.31Å; D566-V570 WeakPolarHBondContact O-CG2 3.29Å; D566-V570 PolarHBondContact O-N 3.15Å; P567-V570 PolarHBondContact O-N 3Å; V570-K572 PolarHBondContact O-N 2.77Å; V570-Q573 PolarHBondContact O-N 3.38Å; V570-R574 WeakPolarHBondContact O-CG 3.43Å; V570-R574 PolarHBondContact O-N 3.32Å; V570-L680 HydrophobicContact CB-CD1 4.3Å; V570-L680 HydrophobicContact CB-CD2 4.15Å; V570-L680 HydrophobicContact CG1-CD1 4.32Å; V570-L680 HydrophobicContact CG1-CD2 3.56Å |
| 571 | I | 85.8 | Confident | 88.9 | Confident | 24 Ų | 24 | 81.7 Ų | 81.7 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 177 | -67.7 | 159.8 | 0 | 0 | 0 | 110.3 | P567 Q573 R574 Q575 E679 L680 | P567-I571 HydrophobicContact CB-CD1 4.34Å; P567-I571 VanDerWaalsContact O-CB 3.29Å; P567-I571 WeakPolarHBondContact O-CB 3.4Å; P567-I571 VanDerWaalsContact O-CD1 3.26Å; P567-I571 WeakPolarHBondContact O-CD1 3.5Å; P567-I571 WeakPolarHBondContact O-CG1 3.46Å; P567-I571 PolarHBondContact O-N 3.04Å; I571-Q573 VanDerWaalsContact C-N 3.3Å; I571-Q573 PolarHBondContact O-N 2.82Å; I571-R574 PolarHBondContact O-N 2.8Å; I571-Q575 WeakPolarHBondContact O-CG 3.37Å; I571-Q575 PolarHBondContact O-N 3.06Å; I571-E679 HydrophobicContact CD1-CB 4.14Å; I571-E679 WeakPolarHBondContact CD1-OE2 3.25Å; I571-E679 HydrophobicContact CG1-CB 4.43Å; I571-E679 WeakPolarHBondContact CG1-OE2 3.47Å; I571-L680 HydrophobicContact CG1-CD2 4.26Å |
| 572 | K | 88.2 | Confident | 88.8 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 178.2 | -171.3 | 174.7 | -173.5 | 172.8 | 0 | 112.5 | H568 K569 V570 R576 | H568-K572 WeakPolarHBondContact O-CB 3.33Å; H568-K572 PolarHBondContact O-N 2.8Å; H568-K572 VanDerWaalsContact O-N 3.1Å; K569-K572 PolarHBondContact O-N 2.93Å; V570-K572 PolarHBondContact O-N 2.77Å; K572-R576 WeakPolarHBondContact O-CG 3.39Å; K572-R576 PolarHBondContact O-N 3.06Å |
| 573 | Q | 89.2 | Confident | 88.7 | Confident | 69 Ų | 69 | 84.5 Ų | 84.5 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69 | -45.1 | 174.7 | -174.5 | 172.9 | -1.4 | 0 | 0 | 111.4 | K569 V570 I571 Q575 R576 I577 | K569-Q573 WeakPolarHBondContact O-CB 3.18Å; K569-Q573 PolarHBondContact O-N 3.33Å; V570-Q573 PolarHBondContact O-N 3.38Å; I571-Q573 VanDerWaalsContact C-N 3.3Å; I571-Q573 PolarHBondContact O-N 2.82Å; Q573-Q575 VanDerWaalsContact C-N 3.3Å; Q573-Q575 PolarHBondContact O-N 3.33Å; Q573-R576 PolarHBondContact O-N 3.36Å; Q573-R576 VanDerWaalsContact O-N 3.17Å; Q573-I577 HydrophobicContact CG-CD1 4Å; Q573-I577 WeakPolarHBondContact O-CG1 3.3Å; Q573-I577 PolarHBondContact O-N 3.41Å |
| 574 | R | 88.3 | Confident | 88.7 | Confident | 112 Ų | 112 | 90.1 Ų | 90.1 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 173.1 | -74.3 | 179.9 | 175.8 | -172.9 | -1.3 | 111.3 | V570 I571 I577 K578 E679 | V570-R574 WeakPolarHBondContact O-CG 3.43Å; V570-R574 PolarHBondContact O-N 3.32Å; I571-R574 PolarHBondContact O-N 2.8Å; R574-I577 PolarHBondContact O-N 3.35Å; R574-K578 WeakPolarHBondContact O-CB 3.13Å; R574-K578 PolarHBondContact O-N 3Å; R574-E679 PolarHBondContact NH1-O 2.97Å |
| 575 | Q | 88.4 | Confident | 88.6 | Confident | 110 Ų | 110 | 89.8 Ų | 89.8 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.3 | -71.6 | 175.5 | 0.9 | 0 | 0 | 112.8 | I571 Q573 K578 Q579 | I571-Q575 WeakPolarHBondContact O-CG 3.37Å; I571-Q575 PolarHBondContact O-N 3.06Å; Q573-Q575 VanDerWaalsContact C-N 3.3Å; Q573-Q575 PolarHBondContact O-N 3.33Å; Q575-K578 PolarHBondContact O-N 3.37Å; Q575-Q579 WeakPolarHBondContact O-CG 3.38Å; Q575-Q579 PolarHBondContact O-N 3.14Å |
| 576 | R | 90.8 | Very high | 88.3 | Confident | 147 Ų | 147 | 96.1 Ų | 96.1 | 56% | 0.555 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 176.4 | -76.1 | 172.6 | 175 | 178.9 | -3.1 | 112.2 | K572 Q573 K578 Q579 Q580 | K572-R576 WeakPolarHBondContact O-CG 3.39Å; K572-R576 PolarHBondContact O-N 3.06Å; Q573-R576 PolarHBondContact O-N 3.36Å; Q573-R576 VanDerWaalsContact O-N 3.17Å; R576-K578 VanDerWaalsContact C-N 3.34Å; R576-Q579 PolarHBondContact O-N 3.36Å; R576-Q580 WeakPolarHBondContact O-CG 3.28Å; R576-Q580 PolarHBondContact O-N 2.87Å |
| 577 | I | 89.7 | Confident | 88.1 | Confident | 76 Ų | 76 | 100.1 Ų | 100.1 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.8 | -69.2 | 167.8 | 0 | 0 | 0 | 109.6 | Q573 R574 Q579 Q580 L581 | Q573-I577 HydrophobicContact CG-CD1 4Å; Q573-I577 WeakPolarHBondContact O-CG1 3.3Å; Q573-I577 PolarHBondContact O-N 3.41Å; R574-I577 PolarHBondContact O-N 3.35Å; I577-Q579 PolarHBondContact O-N 2.93Å; I577-Q580 PolarHBondContact O-N 3.47Å; I577-Q580 VanDerWaalsContact O-N 3.14Å; I577-L581 HydrophobicContact CG2-CD1 3.87Å; I577-L581 HydrophobicContact CG2-CG 4.31Å; I577-L581 WeakPolarHBondContact O-CG 3.35Å; I577-L581 PolarHBondContact O-N 3.48Å |
| 578 | K | 90.2 | Very high | 87.8 | Confident | 134 Ų | 134 | 105.6 Ų | 105.6 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -56.4 | -48 | 175.5 | -173.2 | 177.1 | 177.9 | 179.8 | 0 | 111.7 | R574 Q575 R576 Q580 L581 E582 | R574-K578 WeakPolarHBondContact O-CB 3.13Å; R574-K578 PolarHBondContact O-N 3Å; Q575-K578 PolarHBondContact O-N 3.37Å; R576-K578 VanDerWaalsContact C-N 3.34Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; K578-Q580 PolarHBondContact O-N 3.27Å; K578-L581 PolarHBondContact O-N 3.27Å; K578-E582 VanDerWaalsContact CE-OE1 3.23Å; K578-E582 WeakPolarHBondContact CE-OE1 3.49Å; K578-E582 WeakPolarHBondContact CG-OE1 3.33Å; K578-E582 WeakPolarHBondContact O-CB 3.39Å; K578-E582 VanDerWaalsContact O-CG 3.3Å; K578-E582 WeakPolarHBondContact O-CG 3.45Å; K578-E582 PolarHBondContact O-N 3.32Å |
| 579 | Q | 89.6 | Confident | 87.4 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 176.1 | -72 | 175.5 | 7.1 | 0 | 0 | 113.1 | Q575 R576 I577 R583 | Q575-Q579 WeakPolarHBondContact O-CG 3.38Å; Q575-Q579 PolarHBondContact O-N 3.14Å; R576-Q579 PolarHBondContact O-N 3.36Å; I577-Q579 PolarHBondContact O-N 2.93Å; Q579-R583 WeakPolarHBondContact O-CB 3.49Å; Q579-R583 VanDerWaalsContact O-CG 3.25Å; Q579-R583 WeakPolarHBondContact O-CG 3.33Å; Q579-R583 PolarHBondContact O-N 3.38Å |
| 580 | Q | 90.3 | Very high | 86.9 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 175.9 | -75.2 | -179.2 | 7.2 | 0 | 0 | 111.9 | R576 I577 K578 R583 K584 | R576-Q580 WeakPolarHBondContact O-CG 3.28Å; R576-Q580 PolarHBondContact O-N 2.87Å; I577-Q580 PolarHBondContact O-N 3.47Å; I577-Q580 VanDerWaalsContact O-N 3.14Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; K578-Q580 PolarHBondContact O-N 3.27Å; Q580-R583 PolarHBondContact O-N 2.94Å; Q580-K584 WeakPolarHBondContact O-CB 3.25Å; Q580-K584 WeakPolarHBondContact O-CG 3.19Å; Q580-K584 PolarHBondContact O-N 3.43Å |
| 581 | L | 90.9 | Very high | 86.4 | Confident | 92 Ų | 92 | 109.2 Ų | 109.2 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.1 | -71.3 | 169.8 | 0 | 0 | 0 | 110.8 | I577 K578 R583 K584 Q585 | I577-L581 HydrophobicContact CG2-CD1 3.87Å; I577-L581 HydrophobicContact CG2-CG 4.31Å; I577-L581 WeakPolarHBondContact O-CG 3.35Å; I577-L581 PolarHBondContact O-N 3.48Å; K578-L581 PolarHBondContact O-N 3.27Å; L581-R583 VanDerWaalsContact C-N 3.33Å; L581-R583 PolarHBondContact O-N 3.41Å; L581-K584 PolarHBondContact O-N 3.15Å; L581-Q585 WeakPolarHBondContact O-CB 3.19Å; L581-Q585 WeakPolarHBondContact O-CG 3.34Å; L581-Q585 PolarHBondContact O-N 3.47Å |
| 582 | E | 89.6 | Confident | 86 | Confident | 85 Ų | 85 | 115.2 Ų | 115.2 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.4 | -72.8 | 168.9 | -176.3 | 0 | 0 | 111.5 | K578 Q585 Q586 | K578-E582 VanDerWaalsContact CE-OE1 3.23Å; K578-E582 WeakPolarHBondContact CE-OE1 3.49Å; K578-E582 WeakPolarHBondContact CG-OE1 3.33Å; K578-E582 WeakPolarHBondContact O-CB 3.39Å; K578-E582 VanDerWaalsContact O-CG 3.3Å; K578-E582 WeakPolarHBondContact O-CG 3.45Å; K578-E582 PolarHBondContact O-N 3.32Å; E582-Q585 PolarHBondContact O-N 2.58Å; E582-Q586 WeakPolarHBondContact O-CB 3.36Å; E582-Q586 WeakPolarHBondContact O-CG 3.42Å; E582-Q586 PolarHBondContact O-N 2.82Å |
| 583 | R | 88.2 | Confident | 85.1 | Confident | 153 Ų | 153 | 113.2 Ų | 113.2 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 174.2 | -74.6 | 174.9 | -171.3 | 178.9 | 4.9 | 112.7 | Q579 Q580 L581 Q586 Q587 | Q579-R583 WeakPolarHBondContact O-CB 3.49Å; Q579-R583 VanDerWaalsContact O-CG 3.25Å; Q579-R583 WeakPolarHBondContact O-CG 3.33Å; Q579-R583 PolarHBondContact O-N 3.38Å; Q580-R583 PolarHBondContact O-N 2.94Å; L581-R583 VanDerWaalsContact C-N 3.33Å; L581-R583 PolarHBondContact O-N 3.41Å; R583-Q586 PolarHBondContact O-N 2.93Å; R583-Q587 WeakPolarHBondContact O-CB 3.12Å; R583-Q587 VanDerWaalsContact O-CG 3.3Å; R583-Q587 WeakPolarHBondContact O-CG 3.5Å; R583-Q587 PolarHBondContact O-N 3.03Å |
| 584 | K | 88.8 | Confident | 83.5 | Confident | 125 Ų | 125 | 112.7 Ų | 112.7 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.5 | -79.4 | -178.5 | 178.5 | -177.8 | 0 | 111 | Q580 L581 Q587 Q588 | Q580-K584 WeakPolarHBondContact O-CB 3.25Å; Q580-K584 WeakPolarHBondContact O-CG 3.19Å; Q580-K584 PolarHBondContact O-N 3.43Å; L581-K584 PolarHBondContact O-N 3.15Å; K584-Q587 PolarHBondContact O-N 3.39Å; K584-Q588 WeakPolarHBondContact O-CG 3.29Å; K584-Q588 PolarHBondContact O-N 2.93Å |
| 585 | Q | 86.3 | Confident | 82.3 | Confident | 120 Ų | 120 | 113.2 Ų | 113.2 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.7 | -46.3 | 174 | -74.3 | 174.7 | -7.4 | 0 | 0 | 110.9 | L581 E582 Q587 Q588 L589 | L581-Q585 WeakPolarHBondContact O-CB 3.19Å; L581-Q585 WeakPolarHBondContact O-CG 3.34Å; L581-Q585 PolarHBondContact O-N 3.47Å; E582-Q585 PolarHBondContact O-N 2.58Å; Q585-Q587 VanDerWaalsContact C-N 3.34Å; Q585-Q587 PolarHBondContact O-N 2.94Å; Q585-Q588 PolarHBondContact O-N 3.32Å; Q585-L589 WeakPolarHBondContact O-CB 3.26Å; Q585-L589 PolarHBondContact O-N 3.28Å |
| 586 | Q | 82.9 | Confident | 80.6 | Confident | 140 Ų | 140 | 115 Ų | 115 | 65% | 0.654 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 174.9 | -75.8 | 176 | 5 | 0 | 0 | 112.9 | E582 R583 L589 Y590 | E582-Q586 WeakPolarHBondContact O-CB 3.36Å; E582-Q586 WeakPolarHBondContact O-CG 3.42Å; E582-Q586 PolarHBondContact O-N 2.82Å; R583-Q586 PolarHBondContact O-N 2.93Å; Q586-L589 PolarHBondContact O-N 3.47Å; Q586-Y590 WeakPolarHBondContact O-CB 3.32Å; Q586-Y590 PolarHBondContact O-N 2.91Å |
| 587 | Q | 83.5 | Confident | 78.6 | Confident | 124 Ų | 124 | 113.4 Ų | 113.4 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 176.4 | -74.8 | 175.7 | 4.5 | 0 | 0 | 112.8 | R583 K584 Q585 Y590 K591 | R583-Q587 WeakPolarHBondContact O-CB 3.12Å; R583-Q587 VanDerWaalsContact O-CG 3.3Å; R583-Q587 WeakPolarHBondContact O-CG 3.5Å; R583-Q587 PolarHBondContact O-N 3.03Å; K584-Q587 PolarHBondContact O-N 3.39Å; Q585-Q587 VanDerWaalsContact C-N 3.34Å; Q585-Q587 PolarHBondContact O-N 2.94Å; Q587-Y590 PolarHBondContact O-N 3.13Å; Q587-K591 WeakPolarHBondContact O-CG 3.42Å; Q587-K591 PolarHBondContact O-N 2.95Å |
| 588 | Q | 81.6 | Confident | 76.8 | Confident | 116 Ų | 116 | 114.9 Ų | 114.9 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 172.8 | -78.7 | 173.4 | -29.3 | 0 | 0 | 110.4 | K584 Q585 Y590 K591 E592 | K584-Q588 WeakPolarHBondContact O-CG 3.29Å; K584-Q588 PolarHBondContact O-N 2.93Å; Q585-Q588 PolarHBondContact O-N 3.32Å; Q588-Y590 VanDerWaalsContact C-N 3.28Å; Q588-Y590 PolarHBondContact O-N 3.19Å; Q588-K591 PolarHBondContact O-N 3.05Å; Q588-E592 PolarHBondContact O-N 3.26Å |
| 589 | L | 77.9 | Confident | 74.7 | Confident | 89 Ų | 89 | 116.4 Ų | 116.4 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 178.4 | -145.6 | 150.3 | 0 | 0 | 0 | 112.1 | Q585 Q586 N593 | Q585-L589 WeakPolarHBondContact O-CB 3.26Å; Q585-L589 PolarHBondContact O-N 3.28Å; Q586-L589 PolarHBondContact O-N 3.47Å; L589-N593 PolarHBondContact O-N 3.11Å |
| 590 | Y | 77.6 | Confident | 72.7 | Confident | 86 Ų | 86 | 113.9 Ų | 113.9 | 34% | 0.337 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 172.4 | -173.3 | -83.3 | 0 | 0 | 0 | 113.2 | Q586 Q587 Q588 N593 Y597 | Q586-Y590 WeakPolarHBondContact O-CB 3.32Å; Q586-Y590 PolarHBondContact O-N 2.91Å; Q587-Y590 PolarHBondContact O-N 3.13Å; Q588-Y590 VanDerWaalsContact C-N 3.28Å; Q588-Y590 PolarHBondContact O-N 3.19Å; Y590-N593 CarbonylContact O-C 3.6Å; Y590-N593 VanDerWaalsContact O-C 3.25Å; Y590-N593 PolarHBondContact O-N 3.35Å; Y590-Y597 HydrophobicContact CD2-CD1 4.16Å; Y590-Y597 AromaticContact CD2-CD2 3.69Å; Y590-Y597 HydrophobicContact CD2-CD2 3.69Å; Y590-Y597 HydrophobicContact CD2-CE2 4.4Å; Y590-Y597 AromaticContact CD2-CG 3.55Å; Y590-Y597 HydrophobicContact CD2-CG 3.55Å; Y590-Y597 HydrophobicContact CE2-CD1 4.3Å; Y590-Y597 HydrophobicContact CE2-CD2 4.2Å; Y590-Y597 AromaticContact CE2-CG 3.67Å; Y590-Y597 HydrophobicContact CE2-CG 3.67Å; Y590-Y597 HydrophobicContact CG-CD2 4.38Å |
| 591 | K | 76.8 | Confident | 70.6 | Confident | 169 Ų | 169 | 116.1 Ų | 116.1 | 74% | 0.735 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.3 | -36.7 | 178.6 | -77.4 | -177.9 | 179.7 | -176.5 | 0 | 112.6 | Q587 Q588 N593 | Q587-K591 WeakPolarHBondContact O-CG 3.42Å; Q587-K591 PolarHBondContact O-N 2.95Å; Q588-K591 PolarHBondContact O-N 3.05Å; K591-N593 VanDerWaalsContact C-N 3.28Å |
| 592 | E | 78.1 | Confident | 68.6 | Low | 149 Ų | 149 | 118.2 Ų | 118.2 | 70% | 0.696 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.7 | -29.7 | 175.7 | -71.5 | 174.3 | -179.3 | 0 | 0 | 111.4 | Q588 P594 | Q588-E592 PolarHBondContact O-N 3.26Å; E592-P594 WeakPolarHBondContact O-CD 3.48Å |
| 593 | N | 69.3 | Low | 66.7 | Low | 74 Ų | 74 | 119.7 Ų | 119.7 | 40% | 0.396 | 56% | 0.557 | S | S | . | * | trans | -125.8 | 67.9 | -180 | -73.2 | -39.3 | 0 | 0 | 0 | 113.8 | L589 Y590 K591 N595 | L589-N593 PolarHBondContact O-N 3.11Å; Y590-N593 CarbonylContact O-C 3.6Å; Y590-N593 VanDerWaalsContact O-C 3.25Å; Y590-N593 PolarHBondContact O-N 3.35Å; K591-N593 VanDerWaalsContact C-N 3.28Å; N593-N595 PolarHBondContact O-N 3.22Å | ||
| 594 | P | 55.5 | Low | 64.9 | Low | 58 Ų | 58 | 117 Ų | 117 | 38% | 0.377 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.2 | -35.8 | -176.3 | 25.2 | -32 | 0 | 0 | 0 | 113.1 | E592 Q596 Y597 Q598 | E592-P594 WeakPolarHBondContact O-CD 3.48Å; P594-Q596 VanDerWaalsContact C-N 3.35Å; P594-Q596 PolarHBondContact O-N 2.86Å; P594-Y597 PolarHBondContact O-N 3.37Å; P594-Q598 WeakPolarHBondContact O-CG 3.16Å; P594-Q598 PolarHBondContact O-N 3.37Å |
| 595 | N | 61.9 | Low | 63.1 | Low | 122 Ų | 122 | 115.4 Ų | 115.4 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.5 | -30 | -174.2 | -63.7 | -13.6 | 0 | 0 | 0 | 112.6 | N593 | N593-N595 PolarHBondContact O-N 3.22Å |
| 596 | Q | 53.7 | Low | 61.5 | Low | 147 Ų | 147 | 113.5 Ų | 113.5 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.4 | -24.1 | -177.2 | -157.3 | 162.9 | -4.4 | 0 | 0 | 112.5 | P594 | P594-Q596 VanDerWaalsContact C-N 3.35Å; P594-Q596 PolarHBondContact O-N 2.86Å |
| 597 | Y | 49.2 | Very low | 60.4 | Low | 114 Ų | 114 | 112.6 Ų | 112.6 | 45% | 0.447 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -102.3 | -12 | 174.6 | -66.8 | -84 | 0 | 0 | 0 | 114.5 | Y590 P594 Y599 G600 R601 | Y590-Y597 HydrophobicContact CD2-CD1 4.16Å; Y590-Y597 AromaticContact CD2-CD2 3.69Å; Y590-Y597 HydrophobicContact CD2-CD2 3.69Å; Y590-Y597 HydrophobicContact CD2-CE2 4.4Å; Y590-Y597 AromaticContact CD2-CG 3.55Å; Y590-Y597 HydrophobicContact CD2-CG 3.55Å; Y590-Y597 HydrophobicContact CE2-CD1 4.3Å; Y590-Y597 HydrophobicContact CE2-CD2 4.2Å; Y590-Y597 AromaticContact CE2-CG 3.67Å; Y590-Y597 HydrophobicContact CE2-CG 3.67Å; Y590-Y597 HydrophobicContact CG-CD2 4.38Å; P594-Y597 PolarHBondContact O-N 3.37Å; Y597-Y599 PolarHBondContact O-N 3.1Å; Y597-G600 PolarHBondContact O-N 2.88Å; Y597-R601 PolarHBondContact O-N 2.84Å; Y597-R601 VanDerWaalsContact O-N 3.13Å |
| 598 | Q | 50.1 | Low | 58.7 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 167.1 | -89.8 | 178.2 | -17.5 | 0 | 0 | 111.7 | P594 G600 R601 Q602 | P594-Q598 WeakPolarHBondContact O-CG 3.16Å; P594-Q598 PolarHBondContact O-N 3.37Å; Q598-G600 VanDerWaalsContact C-N 3.33Å; Q598-G600 PolarHBondContact O-N 3.46Å; Q598-R601 PolarHBondContact O-N 3.33Å; Q598-Q602 PolarHBondContact O-N 3.24Å |
| 599 | Y | 47.9 | Very low | 57.5 | Low | 167 Ų | 167 | 111.7 Ų | 111.7 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -32.3 | 175.6 | -153.4 | -99.6 | 0 | 0 | 0 | 112.7 | Y597 | Y597-Y599 PolarHBondContact O-N 3.1Å |
| 600 | G | 46.5 | Very low | 56.7 | Low | 41 Ų | 41 | 109.2 Ų | 109.2 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y597 Q598 N603 L604 | Y597-G600 PolarHBondContact O-N 2.88Å; Q598-G600 VanDerWaalsContact C-N 3.33Å; Q598-G600 PolarHBondContact O-N 3.46Å; G600-N603 PolarHBondContact O-N 2.9Å; G600-L604 WeakPolarHBondContact O-CB 3.22Å; G600-L604 PolarHBondContact O-N 3.43Å |
| 601 | R | 46.2 | Very low | 55.7 | Low | 161 Ų | 161 | 108.7 Ų | 108.7 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.4 | -36.5 | 178 | -125.2 | -173.9 | -159.5 | -178.6 | 6.4 | 112.9 | Y597 Q598 N603 L604 L605 | Y597-R601 PolarHBondContact O-N 2.84Å; Y597-R601 VanDerWaalsContact O-N 3.13Å; Q598-R601 PolarHBondContact O-N 3.33Å; R601-N603 PolarHBondContact O-N 3.39Å; R601-L604 PolarHBondContact O-N 2.93Å; R601-L605 HydrophobicContact CB-CD1 4.46Å; R601-L605 HydrophobicContact CG-CD1 4.06Å; R601-L605 WeakPolarHBondContact O-CB 3.39Å; R601-L605 WeakPolarHBondContact O-CD1 3.45Å; R601-L605 PolarHBondContact O-N 3.04Å |
| 602 | Q | 48.3 | Very low | 54.6 | Low | 135 Ų | 135 | 104 Ų | 104 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -31 | 176.4 | -73.9 | 176.8 | -2.6 | 0 | 0 | 112 | Q598 P606 | Q598-Q602 PolarHBondContact O-N 3.24Å; Q602-P606 WeakPolarHBondContact O-CD 3.48Å |
| 603 | N | 51.1 | Low | 53.2 | Low | 116 Ų | 116 | 105.6 Ų | 105.6 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -91.5 | -24 | 176.4 | -67.9 | -26 | 0 | 0 | 0 | 113.8 | G600 R601 | G600-N603 PolarHBondContact O-N 2.9Å; R601-N603 PolarHBondContact O-N 3.39Å |
| 604 | L | 50.2 | Low | 52.2 | Low | 97 Ų | 97 | 110.6 Ų | 110.6 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -86.9 | -23.8 | 177.4 | -140.4 | 85.8 | 0 | 0 | 0 | 113.5 | G600 R601 F607 M608 | G600-L604 WeakPolarHBondContact O-CB 3.22Å; G600-L604 PolarHBondContact O-N 3.43Å; R601-L604 PolarHBondContact O-N 2.93Å; L604-F607 PolarHBondContact O-N 2.9Å; L604-F607 VanDerWaalsContact O-N 3.15Å; L604-M608 HydrophobicContact CD2-CG 4.47Å; L604-M608 WeakPolarHBondContact O-CB 3.39Å; L604-M608 PolarHBondContact O-N 3.47Å |
| 605 | L | 51.4 | Low | 52.1 | Low | 91 Ų | 91 | 112 Ų | 112 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 180 | -117.1 | 100.9 | 0 | 0 | 0 | 113 | R601 F607 M608 E609 | R601-L605 HydrophobicContact CB-CD1 4.46Å; R601-L605 HydrophobicContact CG-CD1 4.06Å; R601-L605 WeakPolarHBondContact O-CB 3.39Å; R601-L605 WeakPolarHBondContact O-CD1 3.45Å; R601-L605 PolarHBondContact O-N 3.04Å; L605-F607 VanDerWaalsContact C-N 3.31Å; L605-F607 PolarHBondContact O-N 3.49Å; L605-M608 PolarHBondContact O-N 2.96Å; L605-E609 VanDerWaalsContact O-CB 3.3Å; L605-E609 WeakPolarHBondContact O-CB 3.37Å; L605-E609 WeakPolarHBondContact O-CG 3.45Å; L605-E609 PolarHBondContact O-N 2.67Å |
| 606 | P | 53 | Low | 51 | Low | 80 Ų | 80 | 112.9 Ų | 112.9 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 175.8 | -19.9 | 31.1 | 0 | 0 | 0 | 112.4 | Q602 S610 | Q602-P606 WeakPolarHBondContact O-CD 3.48Å; P606-S610 WeakPolarHBondContact O-CB 3.44Å; P606-S610 PolarHBondContact O-N 2.93Å |
| 607 | F | 59 | Low | 50.4 | Low | 122 Ų | 122 | 114.6 Ų | 114.6 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 179.4 | -174.2 | -106 | 0 | 0 | 0 | 112 | L604 L605 S610 L611 | L604-F607 PolarHBondContact O-N 2.9Å; L604-F607 VanDerWaalsContact O-N 3.15Å; L605-F607 VanDerWaalsContact C-N 3.31Å; L605-F607 PolarHBondContact O-N 3.49Å; F607-S610 PolarHBondContact O-N 3.25Å; F607-S610 PolarHBondContact O-OG 3.28Å; F607-S610 VanDerWaalsContact O-OG 3.08Å; F607-L611 HydrophobicContact CD1-CD1 3.84Å; F607-L611 HydrophobicContact CE1-CD1 3.38Å; F607-L611 HydrophobicContact CE1-CG 4.5Å; F607-L611 HydrophobicContact CZ-CD1 3.88Å; F607-L611 PolarHBondContact O-N 3.39Å |
| 608 | M | 48.3 | Very low | 50.1 | Low | 99 Ų | 99 | 119.9 Ų | 119.9 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.4 | -37.9 | 173.3 | -100.9 | -164.9 | 70.7 | 0 | 0 | 112.2 | L604 L605 S610 L611 I612 | L604-M608 HydrophobicContact CD2-CG 4.47Å; L604-M608 WeakPolarHBondContact O-CB 3.39Å; L604-M608 PolarHBondContact O-N 3.47Å; L605-M608 PolarHBondContact O-N 2.96Å; M608-S610 VanDerWaalsContact C-N 3.3Å; M608-S610 PolarHBondContact O-N 3.38Å; M608-L611 PolarHBondContact O-N 2.79Å; M608-I612 HydrophobicContact CE-CD1 3.61Å; M608-I612 HydrophobicContact CE-CG1 4.42Å; M608-I612 VanDerWaalsContact O-CB 3.27Å; M608-I612 WeakPolarHBondContact O-CB 3.23Å; M608-I612 WeakPolarHBondContact O-CG1 3.47Å; M608-I612 PolarHBondContact O-N 3.2Å |
| 609 | E | 55.5 | Low | 49.1 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -34.6 | 172.4 | -81 | -175.8 | 161.3 | 0 | 0 | 111.6 | L605 R613 | L605-E609 VanDerWaalsContact O-CB 3.3Å; L605-E609 WeakPolarHBondContact O-CB 3.37Å; L605-E609 WeakPolarHBondContact O-CG 3.45Å; L605-E609 PolarHBondContact O-N 2.67Å; E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 WeakPolarHBondContact O-CG 3.45Å; E609-R613 PolarHBondContact O-N 3.19Å |
| 610 | S | 61.7 | Low | 48.1 | Very low | 37 Ų | 37 | 125.1 Ų | 125.1 | 26% | 0.259 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 172.2 | 105.3 | 0 | 0 | 0 | 0 | 112.3 | P606 F607 M608 R614 | P606-S610 WeakPolarHBondContact O-CB 3.44Å; P606-S610 PolarHBondContact O-N 2.93Å; F607-S610 PolarHBondContact O-N 3.25Å; F607-S610 PolarHBondContact O-OG 3.28Å; F607-S610 VanDerWaalsContact O-OG 3.08Å; M608-S610 VanDerWaalsContact C-N 3.3Å; M608-S610 PolarHBondContact O-N 3.38Å; S610-R614 WeakPolarHBondContact O-CB 3.38Å; S610-R614 VanDerWaalsContact O-CG 3.32Å; S610-R614 WeakPolarHBondContact O-CG 3.42Å; S610-R614 PolarHBondContact O-N 3.37Å |
| 611 | L | 55.5 | Low | 47.2 | Very low | 75 Ų | 75 | 132 Ų | 132 | 39% | 0.393 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.7 | -40.8 | 176.5 | -91.5 | 162.6 | 0 | 0 | 0 | 111.8 | F607 M608 R614 V615 | F607-L611 HydrophobicContact CD1-CD1 3.84Å; F607-L611 HydrophobicContact CE1-CD1 3.38Å; F607-L611 HydrophobicContact CE1-CG 4.5Å; F607-L611 HydrophobicContact CZ-CD1 3.88Å; F607-L611 PolarHBondContact O-N 3.39Å; M608-L611 PolarHBondContact O-N 2.79Å; L611-R614 CarbonylContact O-C 3.51Å; L611-R614 PolarHBondContact O-N 3.32Å; L611-V615 WeakPolarHBondContact O-CB 3.39Å; L611-V615 VanDerWaalsContact O-CG2 3.25Å; L611-V615 WeakPolarHBondContact O-CG2 3.49Å; L611-V615 PolarHBondContact O-N 2.9Å |
| 612 | I | 55 | Low | 46.5 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 36% | 0.359 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.2 | -40.3 | 175.7 | -70.2 | 167.1 | 0 | 0 | 0 | 110 | M608 R614 V615 Q616 | M608-I612 HydrophobicContact CE-CD1 3.61Å; M608-I612 HydrophobicContact CE-CG1 4.42Å; M608-I612 VanDerWaalsContact O-CB 3.27Å; M608-I612 WeakPolarHBondContact O-CB 3.23Å; M608-I612 WeakPolarHBondContact O-CG1 3.47Å; M608-I612 PolarHBondContact O-N 3.2Å; I612-R614 PolarHBondContact O-N 2.91Å; I612-V615 PolarHBondContact O-N 3.46Å; I612-Q616 HydrophobicContact CG2-CG 4.02Å; I612-Q616 VanDerWaalsContact O-CB 3.26Å; I612-Q616 WeakPolarHBondContact O-CB 3.25Å; I612-Q616 WeakPolarHBondContact O-CG 3.46Å; I612-Q616 PolarHBondContact O-N 3.47Å |
| 613 | R | 48.2 | Very low | 45.4 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.4 | -44.6 | 168.9 | -85.8 | -169 | -170.9 | -152.9 | 3.7 | 111.4 | E609 V615 F617 | E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 WeakPolarHBondContact O-CG 3.45Å; E609-R613 PolarHBondContact O-N 3.19Å; R613-V615 VanDerWaalsContact C-N 3.3Å; R613-V615 PolarHBondContact O-N 3.26Å; R613-F617 WeakPolarHBondContact O-CD2 3.39Å; R613-F617 PolarHBondContact O-N 3.39Å; R613-F617 VanDerWaalsContact O-N 3.16Å |
| 614 | R | 49 | Very low | 44.4 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.9 | -30.9 | 177.4 | -75.7 | -176.8 | -139.9 | -169.2 | 4.8 | 113.4 | S610 L611 I612 | S610-R614 WeakPolarHBondContact O-CB 3.38Å; S610-R614 VanDerWaalsContact O-CG 3.32Å; S610-R614 WeakPolarHBondContact O-CG 3.42Å; S610-R614 PolarHBondContact O-N 3.37Å; L611-R614 CarbonylContact O-C 3.51Å; L611-R614 PolarHBondContact O-N 3.32Å; I612-R614 PolarHBondContact O-N 2.91Å |
| 615 | V | 51.8 | Low | 43.3 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 54% | 0.539 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -86.4 | -37.4 | -180 | 174.3 | 0 | 0 | 0 | 0 | 112 | L611 I612 R613 R618 K619 | L611-V615 WeakPolarHBondContact O-CB 3.39Å; L611-V615 VanDerWaalsContact O-CG2 3.25Å; L611-V615 WeakPolarHBondContact O-CG2 3.49Å; L611-V615 PolarHBondContact O-N 2.9Å; I612-V615 PolarHBondContact O-N 3.46Å; R613-V615 VanDerWaalsContact C-N 3.3Å; R613-V615 PolarHBondContact O-N 3.26Å; V615-R618 WeakPolarHBondContact O-CA 3.15Å; V615-R618 PolarHBondContact O-N 3.06Å; V615-K619 PolarHBondContact O-N 2.86Å |
| 616 | Q | 40.2 | Very low | 42 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.9 | -31.7 | 178.4 | -78.5 | 179.8 | -22 | 0 | 0 | 112.7 | I612 R618 | I612-Q616 HydrophobicContact CG2-CG 4.02Å; I612-Q616 VanDerWaalsContact O-CB 3.26Å; I612-Q616 WeakPolarHBondContact O-CB 3.25Å; I612-Q616 WeakPolarHBondContact O-CG 3.46Å; I612-Q616 PolarHBondContact O-N 3.47Å; Q616-R618 PolarHBondContact O-N 2.97Å |
| 617 | F | 41.3 | Very low | 40.8 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -12.4 | 168.2 | -88.5 | -74.2 | 0 | 0 | 0 | 113.3 | R613 | R613-F617 WeakPolarHBondContact O-CD2 3.39Å; R613-F617 PolarHBondContact O-N 3.39Å; R613-F617 VanDerWaalsContact O-N 3.16Å |
| 618 | R | 41 | Very low | 39.1 | Very low | 225 Ų | 225 | 143 Ų | 143 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -5.4 | -179.1 | -125.9 | 179.6 | -175.5 | -172.3 | 1 | 115.6 | V615 Q616 | V615-R618 WeakPolarHBondContact O-CA 3.15Å; V615-R618 PolarHBondContact O-N 3.06Å; Q616-R618 PolarHBondContact O-N 2.97Å |
| 619 | K | 30.7 | Very low | 38 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | trans | -138.7 | 71 | 175.6 | -77.9 | -169.3 | 175.1 | -176.2 | 0 | 111.8 | V615 | V615-K619 PolarHBondContact O-N 2.86Š| ||
| 620 | K | 27.2 | Very low | 36.6 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -93.2 | 83.1 | 157.6 | -158 | -179.1 | -169.3 | -179.3 | 0 | 107.6 | ||||
| 621 | K | 27.4 | Very low | 34.8 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 179.2 | 132.3 | 151.9 | -104.7 | 177 | 178.9 | -176.1 | 0 | 108.5 | ||
| 622 | D | 29.8 | Very low | 33.4 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | 76.8 | 83.9 | 164.5 | -47.3 | -24.2 | 0 | 0 | 0 | 116.6 | ||||
| 623 | S | 26.9 | Very low | 32 | Very low | 124 Ų | 124 | 157.5 Ų | 157.5 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -137.2 | 86.5 | 156.3 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 624 | D | 29.8 | Very low | 30.9 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -103.6 | 127.8 | 163.7 | -114.9 | -25.6 | 0 | 0 | 0 | 108.4 | ||||
| 625 | K | 26.7 | Very low | 29.8 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 60.3 | 97.2 | 159.5 | -59.6 | 175.9 | -176.2 | 175 | 0 | 117.8 | P627 | K625-P627 WeakPolarHBondContact O-CD 3.49Š| ||
| 626 | C | 24.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 91% | 0.905 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116.5 | 150.2 | -71.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 627 | P | 28 | Very low | 28.3 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78 | 150.8 | 165.8 | -2.4 | 21.4 | 0 | 0 | 0 | 110.2 | K625 | K625-P627 WeakPolarHBondContact O-CD 3.49Š|
| 628 | H | 23.5 | Very low | 27.7 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -51 | 156 | 175.6 | -82.2 | -86.3 | 0 | 0 | 0 | 113.6 | L630 | H628-L630 PolarHBondContact O-N 3.31Š|
| 629 | P | 25.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -60.3 | 107.7 | -178.9 | -14.2 | 28 | 0 | 0 | 0 | 109.4 | E631 | P629-E631 PolarHBondContact O-N 2.89Š| ||
| 630 | L | 24.8 | Very low | 27.5 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -58.4 | 124.7 | 157 | -90.1 | 105.1 | 0 | 0 | 0 | 106.6 | H628 L632 | H628-L630 PolarHBondContact O-N 3.31Å; L630-L632 PolarHBondContact O-N 3.43Å | ||
| 631 | E | 23.7 | Very low | 28 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -42.8 | 108.4 | 161 | -66.3 | 172.4 | 157.8 | 0 | 0 | 107.7 | P629 S633 | P629-E631 PolarHBondContact O-N 2.89Å; E631-S633 PolarHBondContact O-N 3.26Å | ||
| 632 | L | 26.4 | Very low | 28.6 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 72% | 0.723 | S | S | * | * | trans | -70.5 | 88.9 | 166.7 | -162.5 | 83.7 | 0 | 0 | 0 | 104.6 | L630 T634 | L630-L632 PolarHBondContact O-N 3.43Å; L632-T634 PolarHBondContact O-N 2.9Å | ||
| 633 | S | 25.6 | Very low | 29.3 | Very low | 78 Ų | 78 | 129 Ų | 129 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | -39.9 | 126.8 | 163.6 | 36.2 | 0 | 0 | 0 | 0 | 108 | E631 D635 | E631-S633 PolarHBondContact O-N 3.26Å; S633-D635 PolarHBondContact O-N 3.11Å | ||
| 634 | T | 26.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 70% | 0.699 | S | S | * | * | trans | -63.4 | 72 | 169.8 | 41.6 | 0 | 0 | 0 | 0 | 109.1 | L632 T636 | L632-T634 PolarHBondContact O-N 2.9Å; T634-T636 PolarHBondContact O-N 3.1Å; T634-T636 PolarHBondContact O-OG1 2.96Å | ||
| 635 | D | 25.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | trans | -74.6 | 65.1 | 161.6 | -71.3 | -23.8 | 0 | 0 | 0 | 107.7 | S633 N637 | S633-D635 PolarHBondContact O-N 3.11Å; D635-N637 PolarHBondContact O-N 3.19Å; D635-N637 VanDerWaalsContact O-N 3.15Å | ||
| 636 | T | 30.8 | Very low | 32.6 | Very low | 86 Ų | 86 | 118 Ų | 118 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -2.1 | 169.9 | -22.3 | 0 | 0 | 0 | 0 | 111.3 | T634 | T634-T636 PolarHBondContact O-N 3.1Å; T634-T636 PolarHBondContact O-OG1 2.96Å |
| 637 | N | 28.9 | Very low | 34.5 | Very low | 133 Ų | 133 | 115 Ų | 115 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.9 | -16.1 | 179.2 | -82.4 | -7.4 | 0 | 0 | 0 | 114.2 | D635 | D635-N637 PolarHBondContact O-N 3.19Å; D635-N637 VanDerWaalsContact O-N 3.15Å |
| 638 | C | 29.6 | Very low | 36.9 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.4 | -26.5 | 174.2 | -73.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 639 | N | 34.8 | Very low | 40 | Very low | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -86.7 | -16.3 | -173.3 | -83 | -20.2 | 0 | 0 | 0 | 115.1 | ||
| 640 | K | 33.6 | Very low | 43.1 | Very low | 155 Ų | 155 | 106.6 Ų | 106.6 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -80.9 | -35.9 | 180 | -83.5 | -174.6 | 174.2 | -179.9 | 0 | 113 | D644 | K640-D644 PolarHBondContact O-N 2.87Å |
| 641 | N | 35.9 | Very low | 46.5 | Very low | 111 Ų | 111 | 99.2 Ų | 99.2 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.5 | -38.2 | -173.3 | -70.1 | -0 | 0 | 0 | 0 | 113.4 | L645 | N641-L645 PolarHBondContact O-N 3.37Å |
| 642 | D | 41.4 | Very low | 49.8 | Very low | 90 Ų | 90 | 90.5 Ų | 90.5 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.9 | -36.7 | -176 | -69.6 | -13.2 | 0 | 0 | 0 | 113.1 | T646 | D642-T646 PolarHBondContact O-N 2.78Å; D642-T646 PolarHBondContact O-OG1 3.05Å |
| 643 | N | 43.9 | Very low | 53.1 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 61% | 0.61 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72.7 | -32.7 | 178.3 | -77.1 | -19 | 0 | 0 | 0 | 112.2 | T646 S647 | N643-T646 PolarHBondContact O-OG1 3.43Å; N643-S647 PolarHBondContact O-N 3.13Å |
| 644 | D | 51.6 | Low | 56.4 | Low | 111 Ų | 111 | 79 Ų | 79 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | 178.9 | -127 | 7.4 | 0 | 0 | 0 | 111.3 | K640 S647 | K640-D644 PolarHBondContact O-N 2.87Å; D644-S647 WeakPolarHBondContact O-CB 3.39Å; D644-S647 PolarHBondContact O-N 3.1Å; D644-S647 PolarHBondContact O-OG 2.79Å |
| 645 | L | 47.1 | Very low | 59.6 | Low | 85 Ų | 85 | 73.1 Ų | 73.1 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 178.6 | -102.3 | 125 | 0 | 0 | 0 | 113.3 | N564 N641 S647 Q648 | N564-L645 HydrophobicContact CB-CD2 4.21Å; N641-L645 PolarHBondContact O-N 3.37Å; L645-S647 PolarHBondContact O-N 2.91Å; L645-S647 VanDerWaalsContact O-N 3.15Å; L645-Q648 PolarHBondContact O-N 3.12Å |
| 646 | T | 54.2 | Low | 62.7 | Low | 26 Ų | 26 | 67.5 Ų | 67.5 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -19.6 | 174.4 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | I565 D642 N643 | I565-T646 HydrophobicContact CD1-CG2 4.12Å; I565-T646 HydrophobicContact CG1-CG2 4.34Å; D642-T646 PolarHBondContact O-N 2.78Å; D642-T646 PolarHBondContact O-OG1 3.05Å; N643-T646 PolarHBondContact O-OG1 3.43Å |
| 647 | S | 63.1 | Low | 65.5 | Low | 73 Ų | 73 | 65.7 Ų | 65.7 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.9 | -24 | -178.7 | 80.8 | 0 | 0 | 0 | 0 | 113.6 | N643 D644 L645 | N643-S647 PolarHBondContact O-N 3.13Å; D644-S647 WeakPolarHBondContact O-CB 3.39Å; D644-S647 PolarHBondContact O-N 3.1Å; D644-S647 PolarHBondContact O-OG 2.79Å; L645-S647 PolarHBondContact O-N 2.91Å; L645-S647 VanDerWaalsContact O-N 3.15Å |
| 648 | Q | 78.9 | Confident | 68.4 | Low | 144 Ų | 144 | 61.3 Ų | 61.3 | 67% | 0.673 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -86.8 | -43.3 | -174.7 | -69.6 | -172.6 | -4.2 | 0 | 0 | 113.1 | G537 L645 | G537-Q648 WeakPolarHBondContact CA-O 3.37Å; L645-Q648 PolarHBondContact O-N 3.12Å |
| 649 | L | 88 | Confident | 71.3 | Confident | 16 Ų | 16 | 57.2 Ų | 57.2 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | trans | -82.3 | 124.2 | -177 | -174.9 | 65.5 | 0 | 0 | 0 | 110.9 | I539 T563 I565 F651 I652 I682 | I539-L649 HydrophobicContact CB-CD1 4.1Å; I539-L649 HydrophobicContact CD1-CD1 3.6Å; I539-L649 HydrophobicContact CD1-CD2 3.83Å; I539-L649 HydrophobicContact CD1-CG 4.35Å; I539-L649 HydrophobicContact CG1-CD1 3.55Å; T563-L649 HydrophobicContact CG2-CD2 3.96Å; I565-L649 HydrophobicContact CD1-CD2 4.19Å; L649-F651 WeakPolarHBondContact CD1-O 3.49Å; L649-I652 HydrophobicContact CD2-CD1 4.41Å; L649-I652 HydrophobicContact CD2-CG1 4.18Å; L649-I682 HydrophobicContact CD2-CD1 4.37Å | ||
| 650 | K | 91.8 | Very high | 73.8 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | trans | -118.8 | -27.1 | 174.6 | -62.8 | -153.8 | -172.9 | -177.7 | 0 | 114 | G537 I682 R683 L726 T729 | G537-K650 PolarHBondContact O-N 2.85Å; K650-I682 WeakPolarHBondContact O-CA 3.41Å; K650-R683 PolarHBondContact O-N 2.64Å; K650-L726 HydrophobicContact CB-CD2 4.1Å; K650-L726 HydrophobicContact CD-CD2 3.72Å; K650-L726 HydrophobicContact CG-CD2 4.02Å; K650-T729 VanDerWaalsContact NZ-CG2 3.31Å | ||
| 651 | F | 94.9 | Very high | 76.5 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134.7 | -173 | -63.9 | -76.6 | 0 | 0 | 0 | 111.7 | G537 I538 I539 L649 R683 L685 C722 I725 L726 | G537-F651 PolarHBondContact O-N 2.78Å; G537-F651 VanDerWaalsContact O-N 3.1Å; I538-F651 WeakPolarHBondContact CA-O 3.36Å; I538-F651 HydrophobicContact CG1-CB 4.3Å; I538-F651 HydrophobicContact CG2-CB 4.44Å; I539-F651 PolarHBondContact N-O 2.8Å; L649-F651 WeakPolarHBondContact CD1-O 3.49Å; F651-R683 WeakPolarHBondContact CA-O 3.5Å; F651-R683 HydrophobicContact CD1-CB 3.85Å; F651-R683 HydrophobicContact CE1-CB 3.95Å; F651-R683 HydrophobicContact CE1-CG 4.37Å; F651-L685 HydrophobicContact CB-CD1 4.5Å; F651-L685 HydrophobicContact CD1-CD1 3.65Å; F651-L685 HydrophobicContact CE1-CD1 4.38Å; F651-C722 HydrophobicContact CB-CB 4.25Å; F651-C722 HydrophobicContact CD1-CB 4.44Å; F651-C722 HydrophobicContact CD2-CB 3.82Å; F651-C722 HydrophobicContact CE2-CB 4.28Å; F651-C722 HydrophobicContact CG-CB 3.92Å; F651-C722 WeakPolarHBondContact CG-SG 3.49Å; F651-I725 HydrophobicContact CE1-CD1 4.29Å; F651-I725 HydrophobicContact CE2-CB 4.25Å; F651-I725 HydrophobicContact CE2-CG2 4.24Å; F651-I725 HydrophobicContact CZ-CB 3.87Å; F651-I725 HydrophobicContact CZ-CD1 3.91Å; F651-I725 HydrophobicContact CZ-CG2 3.76Å; F651-L726 HydrophobicContact CD2-CD1 4.3Å; F651-L726 HydrophobicContact CD2-CD2 4.3Å; F651-L726 HydrophobicContact CD2-CG 4.15Å; F651-L726 HydrophobicContact CE2-CD2 4.07Å; F651-L726 HydrophobicContact CE2-CG 3.92Å |
| 652 | I | 94.9 | Very high | 79.2 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.5 | 169.1 | -59.2 | 167.6 | 0 | 0 | 0 | 106.7 | I539 L541 T563 L649 Y677 I682 R683 I684 L685 | I539-I652 CarbonylContact O-C 3.26Å; I539-I652 WeakPolarHBondContact O-CA 3.26Å; L541-I652 HydrophobicContact CD1-CG2 3.98Å; L541-I652 HydrophobicContact CG-CG2 4.39Å; T563-I652 HydrophobicContact CG2-CD1 3.52Å; T563-I652 HydrophobicContact CG2-CG1 4.14Å; L649-I652 HydrophobicContact CD2-CD1 4.41Å; L649-I652 HydrophobicContact CD2-CG1 4.18Å; I652-Y677 HydrophobicContact CD1-CD1 3.65Å; I652-Y677 HydrophobicContact CD1-CE1 3.66Å; I652-Y677 HydrophobicContact CD1-CG 4.22Å; I652-I682 HydrophobicContact CD1-CG2 3.7Å; I652-I682 HydrophobicContact CG1-CG2 3.83Å; I652-R683 PolarHBondContact N-O 3.31Å; I652-I684 HydrophobicContact CB-CG1 4.26Å; I652-I684 HydrophobicContact CD1-CG1 4.38Å; I652-I684 CarbonylContact O-C 3.37Å; I652-I684 VanDerWaalsContact O-CA 3.29Å; I652-I684 WeakPolarHBondContact O-CA 3.31Å; I652-L685 PolarHBondContact O-N 2.93Å |
| 653 | I | 95.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.9 | 174.8 | -59.2 | 175.7 | 0 | 0 | 0 | 107.3 | I538 I539 I540 L541 L685 T687 A718 V719 | I538-I653 HydrophobicContact CG2-CD1 3.66Å; I538-I653 HydrophobicContact CG2-CG1 4.08Å; I539-I653 PolarHBondContact O-N 3.27Å; I540-I653 CarbonylContact C-O 3.55Å; I540-I653 WeakPolarHBondContact CA-O 3.43Å; I540-I653 HydrophobicContact CB-CB 4.49Å; I540-I653 HydrophobicContact CG1-CB 4.28Å; I540-I653 HydrophobicContact CG1-CD1 4.25Å; I540-I653 HydrophobicContact CG2-CB 4.22Å; I540-I653 HydrophobicContact CG2-CG2 4.21Å; L541-I653 PolarHBondContact N-O 3Å; I653-L685 HydrophobicContact CG1-CB 4.24Å; I653-T687 HydrophobicContact CG2-CG2 3.54Å; I653-A718 HydrophobicContact CD1-CB 3.84Å; I653-A718 HydrophobicContact CG1-CB 4.3Å; I653-A718 HydrophobicContact CG2-CB 4.08Å; I653-V719 HydrophobicContact CD1-CB 4.41Å; I653-V719 HydrophobicContact CD1-CG2 3.55Å |
| 654 | L | 94.3 | Very high | 83.8 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112 | 176.5 | -170.8 | 73.4 | 0 | 0 | 0 | 110.2 | L541 F555 W558 I656 W659 L685 F686 T687 | L541-L654 HydrophobicContact CB-CD1 4.08Å; L541-L654 CarbonylContact O-C 3.32Å; L541-L654 WeakPolarHBondContact O-CA 3.31Å; F555-L654 HydrophobicContact CE2-CD1 4.15Å; F555-L654 HydrophobicContact CE2-CD2 4.44Å; F555-L654 HydrophobicContact CZ-CD1 4.1Å; F555-L654 HydrophobicContact CZ-CD2 3.78Å; W558-L654 HydrophobicContact CZ3-CD1 4.28Å; L654-I656 HydrophobicContact CB-CG2 4.48Å; L654-I656 HydrophobicContact CD2-CG2 3.51Å; L654-I656 HydrophobicContact CG-CG2 3.7Å; L654-I656 PolarHBondContact O-N 3.21Å; L654-W659 HydrophobicContact CD2-CH2 4.23Å; L654-W659 HydrophobicContact CD2-CZ2 3.97Å; L654-L685 PolarHBondContact N-O 3.13Å; L654-F686 HydrophobicContact CB-CD1 4.2Å; L654-F686 HydrophobicContact CB-CE1 4.39Å; L654-F686 HydrophobicContact CD2-CD1 4Å; L654-F686 HydrophobicContact CD2-CE1 3.74Å; L654-F686 WeakPolarHBondContact O-CA 3.5Å; L654-T687 PolarHBondContact O-N 2.96Å |
| 655 | D | 93.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 106.6 | 169.8 | -177.5 | 18.2 | 0 | 0 | 0 | 110.7 | L541 K542 S657 T687 I715 | L541-D655 PolarHBondContact O-N 3.32Å; K542-D655 HydrophobicContact CB-CB 4.22Å; K542-D655 HydrophobicContact CD-CB 4.49Å; K542-D655 WeakPolarHBondContact CD-OD2 3.47Å; K542-D655 WeakPolarHBondContact CE-OD2 3.11Å; K542-D655 HydrophobicContact CG-CB 4.26Å; K542-D655 IonicContact NZ-OD2 3.32Å; K542-D655 PolarHBondContact NZ-OD2 2.87Å; D655-S657 WeakPolarHBondContact OD1-CB 3.43Å; D655-S657 PolarHBondContact OD1-N 3.35Å; D655-S657 PolarHBondContact OD1-OG 3.2Å; D655-S657 PolarHBondContact OD2-OG 3.4Å; D655-T687 VanDerWaalsContact CA-OG1 3.28Å; D655-T687 WeakPolarHBondContact CA-OG1 3.33Å; D655-T687 PolarHBondContact OD1-OG1 3.33Å; D655-I715 HydrophobicContact CB-CD1 4.24Å |
| 656 | I | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -103.4 | 11 | -179.8 | 61.1 | 171.9 | 0 | 0 | 0 | 112.9 | L654 S658 W659 F686 T687 C689 L697 | L654-I656 HydrophobicContact CB-CG2 4.48Å; L654-I656 HydrophobicContact CD2-CG2 3.51Å; L654-I656 HydrophobicContact CG-CG2 3.7Å; L654-I656 PolarHBondContact O-N 3.21Å; I656-S658 PolarHBondContact O-N 2.96Å; I656-W659 HydrophobicContact CB-CD2 3.89Å; I656-W659 HydrophobicContact CB-CE3 4.28Å; I656-W659 HydrophobicContact CB-CG 4.08Å; I656-W659 HydrophobicContact CG2-CD2 3.9Å; I656-W659 HydrophobicContact CG2-CE3 4.21Å; I656-W659 HydrophobicContact CG2-CH2 3.96Å; I656-W659 HydrophobicContact CG2-CZ2 3.65Å; I656-W659 HydrophobicContact CG2-CZ3 4.23Å; I656-W659 WeakPolarHBondContact O-CB 3.37Å; I656-W659 PolarHBondContact O-N 3.27Å; I656-W659 VanDerWaalsContact O-N 3.08Å; I656-F686 HydrophobicContact CD1-CB 4.19Å; I656-F686 HydrophobicContact CD1-CD1 4.19Å; I656-F686 HydrophobicContact CG2-CD1 4.22Å; I656-T687 VanDerWaalsContact CG1-O 3.25Å; I656-T687 WeakPolarHBondContact CG1-O 3.26Å; I656-T687 PolarHBondContact N-O 3.46Å; I656-C689 HydrophobicContact CD1-CB 3.68Å; I656-C689 WeakPolarHBondContact CD1-SG 3.25Å; I656-C689 HydrophobicContact CG1-CB 4.27Å; I656-L697 HydrophobicContact CD1-CD1 3.95Å | ||
| 657 | S | 89 | Confident | 89.6 | Confident | 48 Ų | 48 | 41 Ų | 41 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -24.3 | 178 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | K542 D655 L688 | K542-S657 PolarHBondContact NZ-OG 2.75Å; D655-S657 WeakPolarHBondContact OD1-CB 3.43Å; D655-S657 PolarHBondContact OD1-N 3.35Å; D655-S657 PolarHBondContact OD1-OG 3.2Å; D655-S657 PolarHBondContact OD2-OG 3.4Å; S657-L688 WeakPolarHBondContact CA-O 3.45Å |
| 658 | S | 89.1 | Confident | 90.9 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.5 | -176.6 | -53 | 0 | 0 | 0 | 0 | 113.4 | K542 I656 I660 | K542-S658 WeakPolarHBondContact CE-OG 3.47Å; I656-S658 PolarHBondContact O-N 2.96Å; S658-I660 PolarHBondContact O-N 3.47Å |
| 659 | W | 90.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.038 | 19% | 0.194 | C | C | . | . | trans | -73.2 | 129.1 | 179.2 | -69.3 | 16.8 | 0 | 0 | 0 | 109.3 | Y543 L547 F555 L654 I656 L662 V670 I693 | Y543-W659 AromaticContact CD1-NE1 3.72Å; L547-W659 HydrophobicContact CB-CD2 4.33Å; L547-W659 HydrophobicContact CB-CE3 4.18Å; L547-W659 HydrophobicContact CB-CH2 3.93Å; L547-W659 HydrophobicContact CB-CZ2 4.04Å; L547-W659 HydrophobicContact CB-CZ3 4Å; L547-W659 HydrophobicContact CD2-CH2 3.31Å; L547-W659 HydrophobicContact CD2-CZ2 3.86Å; L547-W659 HydrophobicContact CD2-CZ3 3.87Å; L547-W659 HydrophobicContact CG-CH2 4.24Å; F555-W659 HydrophobicContact CE2-CZ2 4.04Å; F555-W659 HydrophobicContact CZ-CH2 4.36Å; F555-W659 AromaticContact CZ-CZ2 3.96Å; F555-W659 HydrophobicContact CZ-CZ2 3.96Å; L654-W659 HydrophobicContact CD2-CH2 4.23Å; L654-W659 HydrophobicContact CD2-CZ2 3.97Å; I656-W659 HydrophobicContact CB-CD2 3.89Å; I656-W659 HydrophobicContact CB-CE3 4.28Å; I656-W659 HydrophobicContact CB-CG 4.08Å; I656-W659 HydrophobicContact CG2-CD2 3.9Å; I656-W659 HydrophobicContact CG2-CE3 4.21Å; I656-W659 HydrophobicContact CG2-CH2 3.96Å; I656-W659 HydrophobicContact CG2-CZ2 3.65Å; I656-W659 HydrophobicContact CG2-CZ3 4.23Å; I656-W659 WeakPolarHBondContact O-CB 3.37Å; I656-W659 PolarHBondContact O-N 3.27Å; I656-W659 VanDerWaalsContact O-N 3.08Å; W659-L662 HydrophobicContact CE3-CD1 4.24Å; W659-L662 HydrophobicContact CZ3-CD1 3.75Å; W659-L662 HydrophobicContact CZ3-CD2 4.28Å; W659-V670 HydrophobicContact CH2-CG2 3.76Å; W659-V670 HydrophobicContact CZ3-CG2 4.26Å; W659-I693 HydrophobicContact CB-CD1 3.3Å; W659-I693 HydrophobicContact CE3-CG2 4.11Å; W659-I693 HydrophobicContact CG-CD1 4.5Å; W659-I693 WeakPolarHBondContact O-CD1 3.36Å | ||
| 660 | I | 88.8 | Confident | 91.6 | Very high | 130 Ų | 130 | 37.9 Ų | 37.9 | 67% | 0.667 | 19% | 0.191 | S | C | * | . | trans | -90 | -36.2 | 179.7 | -57.5 | 172.6 | 0 | 0 | 0 | 110.4 | S658 | S658-I660 PolarHBondContact O-N 3.47Š| ||
| 661 | Y | 90.1 | Very high | 91.5 | Very high | 104 Ų | 104 | 34.7 Ų | 34.7 | 41% | 0.408 | 18% | 0.177 | S | C | . | . | trans | -156 | 162.6 | 174.9 | 71.9 | -86.7 | 0 | 0 | 0 | 110.4 | P546 L547 Y548 | P546-Y661 HydrophobicContact CB-CD1 3.61Å; P546-Y661 HydrophobicContact CB-CE1 3.43Å; P546-Y661 VanDerWaalsContact CB-CE1 3.43Å; P546-Y661 HydrophobicContact CB-CG 4.24Å; P546-Y661 HydrophobicContact CG-CD1 4.4Å; P546-Y661 HydrophobicContact CG-CE1 3.82Å; L547-Y661 PolarHBondContact N-O 3Å; Y548-Y661 HydrophobicContact CD1-CE2 4.5Å; Y548-Y661 WeakPolarHBondContact CD1-OH 3.28Å; Y548-Y661 HydrophobicContact CG-CE2 4.15Å | ||
| 662 | L | 90.8 | Very high | 91.3 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 125.4 | 175.8 | 179.5 | 65 | 0 | 0 | 0 | 108.7 | L547 W659 M667 I693 V696 L697 | L547-L662 HydrophobicContact CB-CD1 3.88Å; L547-L662 HydrophobicContact CD2-CD1 4Å; L547-L662 HydrophobicContact CG-CD1 4.13Å; L547-L662 WeakPolarHBondContact O-CA 3.13Å; L547-L662 WeakPolarHBondContact O-CD1 3.38Å; W659-L662 HydrophobicContact CE3-CD1 4.24Å; W659-L662 HydrophobicContact CZ3-CD1 3.75Å; W659-L662 HydrophobicContact CZ3-CD2 4.28Å; L662-M667 HydrophobicContact CD2-CB 3.98Å; L662-M667 HydrophobicContact CD2-CG 4.5Å; L662-M667 HydrophobicContact CG-CB 4.15Å; L662-I693 HydrophobicContact CB-CG2 4.28Å; L662-I693 HydrophobicContact CD2-CG2 4.27Å; L662-V696 HydrophobicContact CB-CG1 4.31Å; L662-V696 HydrophobicContact CD2-CB 4.39Å; L662-V696 HydrophobicContact CD2-CG1 3.97Å; L662-V696 HydrophobicContact CG-CG1 4.09Å; L662-L697 HydrophobicContact CD2-CD2 3.46Å; L662-L697 VanDerWaalsContact CD2-CD2 3.46Å; L662-L697 HydrophobicContact CD2-CG 3.63Å |
| 663 | D | 91.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | trans | -93.9 | 179.1 | 173.9 | 83.2 | 1.5 | 0 | 0 | 0 | 112.4 | L547 Y548 Y549 V665 G666 M667 | L547-D663 PolarHBondContact O-N 2.68Å; Y548-D663 VanDerWaalsContact CA-CG 3.46Å; Y548-D663 WeakPolarHBondContact CA-OD1 3.45Å; Y548-D663 WeakPolarHBondContact CA-OD2 3.34Å; Y548-D663 WeakPolarHBondContact CB-OD2 3.34Å; Y549-D663 WeakPolarHBondContact CD1-OD2 3.38Å; Y549-D663 PolarHBondContact N-OD2 3.26Å; D663-V665 VanDerWaalsContact C-N 3.33Å; D663-V665 PolarHBondContact O-N 3.01Å; D663-V665 WeakPolarHBondContact OD1-CA 3.37Å; D663-V665 PolarHBondContact OD1-N 3.48Å; D663-G666 PolarHBondContact O-N 2.92Å; D663-G666 PolarHBondContact OD1-N 2.69Å; D663-M667 WeakPolarHBondContact O-CB 3.18Å; D663-M667 PolarHBondContact O-N 2.77Å | ||
| 664 | V | 90.8 | Very high | 90.9 | Very high | 86 Ų | 86 | 38.6 Ų | 38.6 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.1 | -36.1 | -179.1 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | R668 | V664-R668 VanDerWaalsContact O-CG 3.32Å; V664-R668 WeakPolarHBondContact O-CG 3.16Å; V664-R668 PolarHBondContact O-N 3.46Å |
| 665 | V | 92 | Very high | 90.6 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.6 | -42.6 | -178.9 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | D663 R668 T669 | D663-V665 VanDerWaalsContact C-N 3.33Å; D663-V665 PolarHBondContact O-N 3.01Å; D663-V665 WeakPolarHBondContact OD1-CA 3.37Å; D663-V665 PolarHBondContact OD1-N 3.48Å; V665-R668 PolarHBondContact O-N 2.96Å; V665-T669 WeakPolarHBondContact O-CB 3.34Å; V665-T669 PolarHBondContact O-N 3.18Å; V665-T669 PolarHBondContact O-OG1 3Å |
| 666 | G | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D663 R668 T669 V670 | D663-G666 PolarHBondContact O-N 2.92Å; D663-G666 PolarHBondContact OD1-N 2.69Å; G666-R668 PolarHBondContact O-N 3.22Å; G666-T669 WeakPolarHBondContact O-CB 3.34Å; G666-T669 PolarHBondContact O-N 2.81Å; G666-V670 WeakPolarHBondContact O-CG2 3.34Å; G666-V670 PolarHBondContact O-N 3.22Å |
| 667 | M | 90.4 | Very high | 90.5 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 176.5 | 179.2 | -84.5 | -74.6 | 0 | 0 | 111.7 | L662 D663 T669 V670 T671 V696 D700 | L662-M667 HydrophobicContact CD2-CB 3.98Å; L662-M667 HydrophobicContact CD2-CG 4.5Å; L662-M667 HydrophobicContact CG-CB 4.15Å; D663-M667 WeakPolarHBondContact O-CB 3.18Å; D663-M667 PolarHBondContact O-N 2.77Å; M667-T669 VanDerWaalsContact C-N 3.29Å; M667-T669 PolarHBondContact O-N 3.25Å; M667-V670 WeakPolarHBondContact O-CB 3.29Å; M667-V670 PolarHBondContact O-N 3.16Å; M667-T671 PolarHBondContact O-N 2.85Å; M667-T671 PolarHBondContact O-OG1 3.48Å; M667-V696 HydrophobicContact CB-CG1 4.38Å; M667-D700 HydrophobicContact CE-CB 4.08Å; M667-D700 HydrophobicContact SD-CB 3.78Å |
| 668 | R | 90.5 | Very high | 90.6 | Very high | 150 Ų | 150 | 42.3 Ų | 42.3 | 57% | 0.566 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.5 | -41.2 | 175.3 | -75.2 | 176.1 | -176.9 | 173.5 | 2.3 | 112.4 | V664 V665 G666 V670 T671 D672 | V664-R668 VanDerWaalsContact O-CG 3.32Å; V664-R668 WeakPolarHBondContact O-CG 3.16Å; V664-R668 PolarHBondContact O-N 3.46Å; V665-R668 PolarHBondContact O-N 2.96Å; G666-R668 PolarHBondContact O-N 3.22Å; R668-V670 VanDerWaalsContact C-N 3.33Å; R668-V670 PolarHBondContact O-N 3.39Å; R668-T671 CarbonylContact O-C 3.52Å; R668-T671 WeakPolarHBondContact O-CB 3.4Å; R668-T671 PolarHBondContact O-N 2.86Å; R668-D672 WeakPolarHBondContact O-CB 3.33Å; R668-D672 PolarHBondContact O-N 3.38Å |
| 669 | T | 91.7 | Very high | 90.5 | Very high | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | S552 Q556 V665 G666 M667 D672 I673 | S552-T669 WeakPolarHBondContact CB-OG1 3.5Å; Q556-T669 HydrophobicContact CB-CG2 4.23Å; V665-T669 WeakPolarHBondContact O-CB 3.34Å; V665-T669 PolarHBondContact O-N 3.18Å; V665-T669 PolarHBondContact O-OG1 3Å; G666-T669 WeakPolarHBondContact O-CB 3.34Å; G666-T669 PolarHBondContact O-N 2.81Å; M667-T669 VanDerWaalsContact C-N 3.29Å; M667-T669 PolarHBondContact O-N 3.25Å; T669-D672 PolarHBondContact O-N 2.86Å; T669-I673 HydrophobicContact CG2-CD1 3.89Å; T669-I673 WeakPolarHBondContact O-CB 2.92Å; T669-I673 WeakPolarHBondContact O-CD1 3.33Å; T669-I673 WeakPolarHBondContact O-CG1 3.5Å; T669-I673 PolarHBondContact O-N 2.9Å |
| 670 | V | 91.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -48 | 173.5 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L547 F555 W659 G666 M667 R668 D672 I673 I674 F686 L697 | L547-V670 HydrophobicContact CD2-CG2 3.44Å; L547-V670 VanDerWaalsContact CD2-CG2 3.44Å; F555-V670 HydrophobicContact CE1-CG2 4.39Å; W659-V670 HydrophobicContact CH2-CG2 3.76Å; W659-V670 HydrophobicContact CZ3-CG2 4.26Å; G666-V670 WeakPolarHBondContact O-CG2 3.34Å; G666-V670 PolarHBondContact O-N 3.22Å; M667-V670 WeakPolarHBondContact O-CB 3.29Å; M667-V670 PolarHBondContact O-N 3.16Å; R668-V670 VanDerWaalsContact C-N 3.33Å; R668-V670 PolarHBondContact O-N 3.39Å; V670-D672 VanDerWaalsContact C-N 3.32Å; V670-D672 PolarHBondContact O-N 3.14Å; V670-I673 PolarHBondContact O-N 3.42Å; V670-I674 HydrophobicContact CG1-CD1 3.85Å; V670-I674 HydrophobicContact CG1-CG1 4.31Å; V670-I674 VanDerWaalsContact O-CG1 3.23Å; V670-I674 WeakPolarHBondContact O-CG1 3.42Å; V670-I674 PolarHBondContact O-N 3.34Å; V670-F686 HydrophobicContact CG1-CE1 3.83Å; V670-F686 HydrophobicContact CG1-CZ 3.63Å; V670-L697 HydrophobicContact CB-CD2 4.49Å; V670-L697 HydrophobicContact CG1-CD2 4.08Å |
| 671 | T | 89.4 | Confident | 90.3 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 176.9 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | M667 R668 I674 K675 T703 | M667-T671 PolarHBondContact O-N 2.85Å; M667-T671 PolarHBondContact O-OG1 3.48Å; R668-T671 CarbonylContact O-C 3.52Å; R668-T671 WeakPolarHBondContact O-CB 3.4Å; R668-T671 PolarHBondContact O-N 2.86Å; T671-I674 PolarHBondContact O-N 3.25Å; T671-K675 HydrophobicContact CG2-CD 4.09Å; T671-K675 WeakPolarHBondContact O-CG 2.97Å; T671-K675 PolarHBondContact O-N 2.98Å; T671-T703 HydrophobicContact CG2-CG2 3.62Å |
| 672 | D | 89.8 | Confident | 90.4 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 43% | 0.428 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.6 | -39 | 179.6 | -69.9 | -20 | 0 | 0 | 0 | 111.3 | R668 T669 V670 K675 S676 | R668-D672 WeakPolarHBondContact O-CB 3.33Å; R668-D672 PolarHBondContact O-N 3.38Å; T669-D672 PolarHBondContact O-N 2.86Å; V670-D672 VanDerWaalsContact C-N 3.32Å; V670-D672 PolarHBondContact O-N 3.14Å; D672-K675 PolarHBondContact O-N 3.4Å; D672-S676 VanDerWaalsContact O-CB 3.22Å; D672-S676 WeakPolarHBondContact O-CB 3.3Å; D672-S676 PolarHBondContact O-N 3.41Å; D672-S676 PolarHBondContact O-OG 2.93Å |
| 673 | I | 91.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 173.2 | -71.2 | 167 | 0 | 0 | 0 | 110.2 | F555 Q556 I559 T669 V670 K675 S676 Y677 I684 | F555-I673 HydrophobicContact CD1-CD1 3.86Å; F555-I673 HydrophobicContact CE1-CD1 3.72Å; Q556-I673 HydrophobicContact CB-CD1 3.95Å; Q556-I673 HydrophobicContact CB-CG1 4.43Å; Q556-I673 HydrophobicContact CG-CD1 4Å; Q556-I673 HydrophobicContact CG-CG1 3.94Å; I559-I673 HydrophobicContact CD1-CD1 4.1Å; I559-I673 HydrophobicContact CD1-CG2 4.33Å; T669-I673 HydrophobicContact CG2-CD1 3.89Å; T669-I673 WeakPolarHBondContact O-CB 2.92Å; T669-I673 WeakPolarHBondContact O-CD1 3.33Å; T669-I673 WeakPolarHBondContact O-CG1 3.5Å; T669-I673 PolarHBondContact O-N 2.9Å; V670-I673 PolarHBondContact O-N 3.42Å; I673-K675 VanDerWaalsContact C-N 3.33Å; I673-K675 PolarHBondContact O-N 3.44Å; I673-S676 PolarHBondContact O-N 2.93Å; I673-Y677 HydrophobicContact CG2-CD2 3.79Å; I673-Y677 HydrophobicContact CG2-CE2 4.03Å; I673-Y677 WeakPolarHBondContact O-CD2 3.21Å; I673-Y677 PolarHBondContact O-N 3.31Å; I673-I684 HydrophobicContact CG2-CD1 3.49Å; I673-I684 VanDerWaalsContact CG2-CD1 3.49Å |
| 674 | I | 90.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.7 | -50 | 176.9 | -69.6 | 167.3 | 0 | 0 | 0 | 110.6 | V670 T671 A678 F686 Q706 I707 | V670-I674 HydrophobicContact CG1-CD1 3.85Å; V670-I674 HydrophobicContact CG1-CG1 4.31Å; V670-I674 VanDerWaalsContact O-CG1 3.23Å; V670-I674 WeakPolarHBondContact O-CG1 3.42Å; V670-I674 PolarHBondContact O-N 3.34Å; T671-I674 PolarHBondContact O-N 3.25Å; I674-A678 WeakPolarHBondContact O-CB 3.4Å; I674-A678 PolarHBondContact O-N 3.06Å; I674-F686 HydrophobicContact CD1-CE2 3.71Å; I674-F686 HydrophobicContact CD1-CZ 3.61Å; I674-F686 HydrophobicContact CG1-CE2 4.21Å; I674-F686 HydrophobicContact CG1-CZ 3.9Å; I674-Q706 HydrophobicContact CG2-CG 4.13Å; I674-I707 HydrophobicContact CD1-CD1 4.48Å; I674-I707 HydrophobicContact CD1-CG1 4.16Å |
| 675 | K | 89.4 | Confident | 90.6 | Very high | 80 Ų | 80 | 41.1 Ų | 41.1 | 35% | 0.348 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.3 | -46 | -179.8 | -72.7 | 170.5 | -177.7 | 167.2 | 0 | 111.7 | T671 D672 I673 Y677 A678 E679 | T671-K675 HydrophobicContact CG2-CD 4.09Å; T671-K675 WeakPolarHBondContact O-CG 2.97Å; T671-K675 PolarHBondContact O-N 2.98Å; D672-K675 PolarHBondContact O-N 3.4Å; I673-K675 VanDerWaalsContact C-N 3.33Å; I673-K675 PolarHBondContact O-N 3.44Å; K675-Y677 PolarHBondContact O-N 3.29Å; K675-A678 PolarHBondContact O-N 2.9Å; K675-E679 PolarHBondContact O-N 3.17Å; K675-E679 VanDerWaalsContact O-N 3.14Å |
| 676 | S | 90.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -39.2 | -176 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | D672 I673 | D672-S676 VanDerWaalsContact O-CB 3.22Å; D672-S676 WeakPolarHBondContact O-CB 3.3Å; D672-S676 PolarHBondContact O-N 3.41Å; D672-S676 PolarHBondContact O-OG 2.93Å; I673-S676 PolarHBondContact O-N 2.93Å |
| 677 | Y | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -76.1 | -32 | 174.8 | -83 | -88.8 | 0 | 0 | 0 | 112.5 | I559 N560 T563 I565 P567 I652 I673 K675 E679 L680 D681 I682 I684 | I559-Y677 HydrophobicContact CG2-CE2 3.9Å; N560-Y677 PolarHBondContact OD1-OH 3.09Å; T563-Y677 HydrophobicContact CG2-CE1 4.01Å; T563-Y677 PolarHBondContact OG1-OH 2.93Å; I565-Y677 HydrophobicContact CB-CE1 4.44Å; I565-Y677 HydrophobicContact CG2-CE1 4.35Å; I565-Y677 PolarHBondContact O-OH 3.47Å; P567-Y677 HydrophobicContact CG-CD2 4.18Å; P567-Y677 HydrophobicContact CG-CE2 3.88Å; I652-Y677 HydrophobicContact CD1-CD1 3.65Å; I652-Y677 HydrophobicContact CD1-CE1 3.66Å; I652-Y677 HydrophobicContact CD1-CG 4.22Å; I673-Y677 HydrophobicContact CG2-CD2 3.79Å; I673-Y677 HydrophobicContact CG2-CE2 4.03Å; I673-Y677 WeakPolarHBondContact O-CD2 3.21Å; I673-Y677 PolarHBondContact O-N 3.31Å; K675-Y677 PolarHBondContact O-N 3.29Å; Y677-E679 VanDerWaalsContact C-N 3.29Å; Y677-E679 PolarHBondContact O-N 3.14Å; Y677-L680 CarbonylContact O-C 3.53Å; Y677-L680 WeakPolarHBondContact O-CA 3.45Å; Y677-L680 WeakPolarHBondContact O-CB 3.42Å; Y677-L680 PolarHBondContact O-N 3.38Å; Y677-D681 PolarHBondContact O-N 2.99Å; Y677-I682 CarbonylContact C-O 3.58Å; Y677-I682 VanDerWaalsContact C-O 3.26Å; Y677-I682 HydrophobicContact CD1-CB 4.05Å; Y677-I682 HydrophobicContact CD1-CD1 3.92Å; Y677-I682 HydrophobicContact CD1-CG2 3.94Å; Y677-I682 HydrophobicContact CE1-CD1 4.37Å; Y677-I682 PolarHBondContact O-N 3.41Å; Y677-I682 VanDerWaalsContact O-O 3.14Å; Y677-I684 HydrophobicContact CD2-CD1 4.07Å; Y677-I684 HydrophobicContact CG-CD1 4.15Å |
| 678 | A | 89.2 | Confident | 89.8 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -34.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I674 K675 L680 D681 I682 | I674-A678 WeakPolarHBondContact O-CB 3.4Å; I674-A678 PolarHBondContact O-N 3.06Å; K675-A678 PolarHBondContact O-N 2.9Å; A678-L680 PolarHBondContact O-N 3.48Å; A678-D681 PolarHBondContact O-N 3.17Å; A678-I682 PolarHBondContact N-O 3.22Å |
| 679 | E | 87.7 | Confident | 88.9 | Confident | 118 Ų | 118 | 34.7 Ų | 34.7 | 55% | 0.551 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.9 | 171.8 | -72.3 | -173.3 | -164.5 | 0 | 0 | 113.8 | I571 R574 K675 Y677 | I571-E679 HydrophobicContact CD1-CB 4.14Å; I571-E679 WeakPolarHBondContact CD1-OE2 3.25Å; I571-E679 HydrophobicContact CG1-CB 4.43Å; I571-E679 WeakPolarHBondContact CG1-OE2 3.47Å; R574-E679 PolarHBondContact NH1-O 2.97Å; K675-E679 PolarHBondContact O-N 3.17Å; K675-E679 VanDerWaalsContact O-N 3.14Å; Y677-E679 VanDerWaalsContact C-N 3.29Å; Y677-E679 PolarHBondContact O-N 3.14Å |
| 680 | L | 87.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 11.4 | 175 | -59.3 | -174.2 | 0 | 0 | 0 | 113 | I565 P567 V570 I571 Y677 A678 I682 | I565-L680 HydrophobicContact CG2-CD1 3.5Å; I565-L680 VanDerWaalsContact CG2-CD1 3.5Å; P567-L680 HydrophobicContact CB-CD1 3.88Å; V570-L680 HydrophobicContact CB-CD1 4.3Å; V570-L680 HydrophobicContact CB-CD2 4.15Å; V570-L680 HydrophobicContact CG1-CD1 4.32Å; V570-L680 HydrophobicContact CG1-CD2 3.56Å; I571-L680 HydrophobicContact CG1-CD2 4.26Å; Y677-L680 CarbonylContact O-C 3.53Å; Y677-L680 WeakPolarHBondContact O-CA 3.45Å; Y677-L680 WeakPolarHBondContact O-CB 3.42Å; Y677-L680 PolarHBondContact O-N 3.38Å; A678-L680 PolarHBondContact O-N 3.48Å; L680-I682 HydrophobicContact CB-CD1 4.17Å; L680-I682 HydrophobicContact CB-CG1 4.32Å; L680-I682 PolarHBondContact O-N 3.43Å |
| 681 | D | 88.7 | Confident | 87.9 | Confident | 135 Ų | 135 | 40.6 Ų | 40.6 | 72% | 0.722 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 20.5 | -174.1 | -60.3 | -51.6 | 0 | 0 | 0 | 114.1 | Y677 A678 | Y677-D681 PolarHBondContact O-N 2.99Å; A678-D681 PolarHBondContact O-N 3.17Å |
| 682 | I | 91.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -98.6 | 121.6 | 175.8 | -60 | 169.4 | 0 | 0 | 0 | 108.6 | I565 L649 K650 I652 Y677 A678 L680 | I565-I682 HydrophobicContact CD1-CD1 3.73Å; L649-I682 HydrophobicContact CD2-CD1 4.37Å; K650-I682 WeakPolarHBondContact O-CA 3.41Å; I652-I682 HydrophobicContact CD1-CG2 3.7Å; I652-I682 HydrophobicContact CG1-CG2 3.83Å; Y677-I682 CarbonylContact C-O 3.58Å; Y677-I682 VanDerWaalsContact C-O 3.26Å; Y677-I682 HydrophobicContact CD1-CB 4.05Å; Y677-I682 HydrophobicContact CD1-CD1 3.92Å; Y677-I682 HydrophobicContact CD1-CG2 3.94Å; Y677-I682 HydrophobicContact CE1-CD1 4.37Å; Y677-I682 PolarHBondContact O-N 3.41Å; Y677-I682 VanDerWaalsContact O-O 3.14Å; A678-I682 PolarHBondContact N-O 3.22Å; L680-I682 HydrophobicContact CB-CD1 4.17Å; L680-I682 HydrophobicContact CB-CG1 4.32Å; L680-I682 PolarHBondContact O-N 3.43Å |
| 683 | R | 91.9 | Very high | 87.2 | Confident | 127 Ų | 127 | 43.9 Ų | 43.9 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.8 | -179.9 | -64 | -173.9 | -172.2 | 178.2 | 3.3 | 111.1 | K650 F651 I652 L685 | K650-R683 PolarHBondContact O-N 2.64Å; F651-R683 WeakPolarHBondContact CA-O 3.5Å; F651-R683 HydrophobicContact CD1-CB 3.85Å; F651-R683 HydrophobicContact CE1-CB 3.95Å; F651-R683 HydrophobicContact CE1-CG 4.37Å; I652-R683 PolarHBondContact N-O 3.31Å; R683-L685 HydrophobicContact CB-CD1 4.32Å |
| 684 | I | 92.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.5 | 174.5 | -53.7 | -172.7 | 0 | 0 | 0 | 109.6 | I652 I673 Y677 F686 N710 | I652-I684 HydrophobicContact CB-CG1 4.26Å; I652-I684 HydrophobicContact CD1-CG1 4.38Å; I652-I684 CarbonylContact O-C 3.37Å; I652-I684 VanDerWaalsContact O-CA 3.29Å; I652-I684 WeakPolarHBondContact O-CA 3.31Å; I673-I684 HydrophobicContact CG2-CD1 3.49Å; I673-I684 VanDerWaalsContact CG2-CD1 3.49Å; Y677-I684 HydrophobicContact CD2-CD1 4.07Å; Y677-I684 HydrophobicContact CG-CD1 4.15Å; I684-F686 HydrophobicContact CG2-CE1 4.36Å; I684-F686 HydrophobicContact CG2-CE2 4.36Å; I684-F686 HydrophobicContact CG2-CZ 3.97Å; I684-N710 WeakPolarHBondContact O-CB 3.33Å; I684-N710 PolarHBondContact O-ND2 3.22Å |
| 685 | L | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.4 | 176.6 | -70.5 | 77.4 | 0 | 0 | 0 | 109.8 | F651 I652 I653 L654 R683 N710 F712 A718 Y721 C722 | F651-L685 HydrophobicContact CB-CD1 4.5Å; F651-L685 HydrophobicContact CD1-CD1 3.65Å; F651-L685 HydrophobicContact CE1-CD1 4.38Å; I652-L685 PolarHBondContact O-N 2.93Å; I653-L685 HydrophobicContact CG1-CB 4.24Å; L654-L685 PolarHBondContact N-O 3.13Å; R683-L685 HydrophobicContact CB-CD1 4.32Å; L685-N710 CarbonylContact C-O 3.44Å; L685-N710 VanDerWaalsContact CA-O 3.25Å; L685-N710 WeakPolarHBondContact CA-O 3.48Å; L685-F712 HydrophobicContact CB-CD2 4.42Å; L685-F712 HydrophobicContact CB-CE2 4.49Å; L685-F712 HydrophobicContact CD2-CD2 3.84Å; L685-F712 HydrophobicContact CD2-CE2 3.34Å; L685-F712 HydrophobicContact CD2-CZ 4.03Å; L685-F712 HydrophobicContact CG-CD2 4.42Å; L685-F712 HydrophobicContact CG-CE2 4Å; L685-A718 HydrophobicContact CD2-CB 4.05Å; L685-Y721 HydrophobicContact CD2-CD1 3.87Å; L685-Y721 HydrophobicContact CD2-CE1 4.29Å; L685-C722 VanDerWaalsContact CD2-SG 3.59Å |
| 686 | F | 91.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.6 | 177.9 | -60.3 | -81.4 | 0 | 0 | 0 | 110.2 | L654 I656 V670 I674 I684 N710 S711 F712 | L654-F686 HydrophobicContact CB-CD1 4.2Å; L654-F686 HydrophobicContact CB-CE1 4.39Å; L654-F686 HydrophobicContact CD2-CD1 4Å; L654-F686 HydrophobicContact CD2-CE1 3.74Å; L654-F686 WeakPolarHBondContact O-CA 3.5Å; I656-F686 HydrophobicContact CD1-CB 4.19Å; I656-F686 HydrophobicContact CD1-CD1 4.19Å; I656-F686 HydrophobicContact CG2-CD1 4.22Å; V670-F686 HydrophobicContact CG1-CE1 3.83Å; V670-F686 HydrophobicContact CG1-CZ 3.63Å; I674-F686 HydrophobicContact CD1-CE2 3.71Å; I674-F686 HydrophobicContact CD1-CZ 3.61Å; I674-F686 HydrophobicContact CG1-CE2 4.21Å; I674-F686 HydrophobicContact CG1-CZ 3.9Å; I684-F686 HydrophobicContact CG2-CE1 4.36Å; I684-F686 HydrophobicContact CG2-CE2 4.36Å; I684-F686 HydrophobicContact CG2-CZ 3.97Å; F686-N710 PolarHBondContact N-O 3.19Å; F686-S711 CarbonylContact O-C 3.51Å; F686-S711 WeakPolarHBondContact O-CA 3.47Å; F686-F712 PolarHBondContact O-N 3.15Å |
| 687 | T | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.7 | 176.5 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | I653 L654 D655 I656 C689 F712 I715 A718 | I653-T687 HydrophobicContact CG2-CG2 3.54Å; L654-T687 PolarHBondContact O-N 2.96Å; D655-T687 VanDerWaalsContact CA-OG1 3.28Å; D655-T687 WeakPolarHBondContact CA-OG1 3.33Å; D655-T687 PolarHBondContact OD1-OG1 3.33Å; I656-T687 VanDerWaalsContact CG1-O 3.25Å; I656-T687 WeakPolarHBondContact CG1-O 3.26Å; I656-T687 PolarHBondContact N-O 3.46Å; T687-C689 PolarHBondContact O-N 3.4Å; T687-F712 WeakPolarHBondContact CA-O 3.32Å; T687-F712 HydrophobicContact CG2-CB 4.4Å; T687-I715 HydrophobicContact CG2-CG1 4.17Å; T687-A718 HydrophobicContact CG2-CB 3.81Å |
| 688 | L | 74.3 | Confident | 85.1 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 53.8 | 48.7 | 169.8 | -76 | 157.7 | 0 | 0 | 0 | 113.3 | S657 D690 F712 I713 | S657-L688 WeakPolarHBondContact CA-O 3.45Å; L688-D690 PolarHBondContact O-N 3.47Å; L688-F712 PolarHBondContact N-O 2.98Å; L688-I713 WeakPolarHBondContact CD2-O 3.27Å; L688-I713 VanDerWaalsContact CG-O 3.28Å; L688-I713 WeakPolarHBondContact CG-O 3.43Å |
| 689 | C | 72.7 | Confident | 84.5 | Confident | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | trans | -73 | 119.2 | 178.2 | -164.6 | 0 | 0 | 0 | 0 | 111.1 | M26 I656 T687 Y694 | M26-C689 HydrophobicContact CE-CB 4.12Å; I656-C689 HydrophobicContact CD1-CB 3.68Å; I656-C689 WeakPolarHBondContact CD1-SG 3.25Å; I656-C689 HydrophobicContact CG1-CB 4.27Å; T687-C689 PolarHBondContact O-N 3.4Å; C689-Y694 HydrophobicContact CB-CD2 4.19Å; C689-Y694 WeakPolarHBondContact SG-CA 3.39Å; C689-Y694 VanDerWaalsContact SG-CB 3.54Å; C689-Y694 PolarHBondContact SG-N 2.95Å | ||
| 690 | D | 81.7 | Confident | 83.8 | Confident | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | trans | -53.5 | 139.4 | 167.8 | -176.4 | -78.7 | 0 | 0 | 0 | 109.8 | L688 Q692 I693 Y694 | L688-D690 PolarHBondContact O-N 3.47Å; D690-Q692 PolarHBondContact O-N 3.48Å; D690-Q692 VanDerWaalsContact O-N 3.13Å; D690-Q692 WeakPolarHBondContact OD1-CB 3.5Å; D690-Q692 PolarHBondContact OD1-N 3.21Å; D690-I693 HydrophobicContact CB-CB 4.46Å; D690-I693 HydrophobicContact CB-CD1 4.27Å; D690-I693 HydrophobicContact CB-CG1 4.24Å; D690-I693 PolarHBondContact O-N 3.3Å; D690-Y694 PolarHBondContact O-N 2.64Å | ||
| 691 | P | 78.8 | Confident | 82.7 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -52.7 | -34.6 | -179.3 | -28.5 | 35.7 | 0 | 0 | 0 | 114.8 | T695 | P691-T695 PolarHBondContact O-N 3.03Å; P691-T695 VanDerWaalsContact O-N 3.1Å; P691-T695 PolarHBondContact O-OG1 3.08Å |
| 692 | Q | 80.5 | Confident | 81.4 | Confident | 149 Ų | 149 | 52.4 Ų | 52.4 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69 | -42.9 | 178.8 | -61.6 | -175 | -0.3 | 0 | 0 | 110.9 | D690 T695 V696 | D690-Q692 PolarHBondContact O-N 3.48Å; D690-Q692 VanDerWaalsContact O-N 3.13Å; D690-Q692 WeakPolarHBondContact OD1-CB 3.5Å; D690-Q692 PolarHBondContact OD1-N 3.21Å; Q692-T695 PolarHBondContact O-N 2.66Å; Q692-V696 WeakPolarHBondContact O-CG2 3.27Å; Q692-V696 PolarHBondContact O-N 3.01Å |
| 693 | I | 85.5 | Confident | 80 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 177.7 | -61.6 | -177 | 0 | 0 | 0 | 110.5 | W659 L662 D690 T695 V696 L697 | W659-I693 HydrophobicContact CB-CD1 3.3Å; W659-I693 HydrophobicContact CE3-CG2 4.11Å; W659-I693 HydrophobicContact CG-CD1 4.5Å; W659-I693 WeakPolarHBondContact O-CD1 3.36Å; L662-I693 HydrophobicContact CB-CG2 4.28Å; L662-I693 HydrophobicContact CD2-CG2 4.27Å; D690-I693 HydrophobicContact CB-CB 4.46Å; D690-I693 HydrophobicContact CB-CD1 4.27Å; D690-I693 HydrophobicContact CB-CG1 4.24Å; D690-I693 PolarHBondContact O-N 3.3Å; I693-T695 VanDerWaalsContact C-N 3.27Å; I693-T695 PolarHBondContact O-N 3.39Å; I693-V696 PolarHBondContact O-N 3.29Å; I693-V696 VanDerWaalsContact O-N 3.11Å; I693-L697 HydrophobicContact CG2-CD1 3.97Å; I693-L697 HydrophobicContact CG2-CG 4.31Å; I693-L697 WeakPolarHBondContact O-CG 3.45Å; I693-L697 PolarHBondContact O-N 3.49Å |
| 694 | Y | 82.5 | Confident | 78.8 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 178.7 | -171.3 | -114 | 0 | 0 | 0 | 110.8 | M26 C689 D690 V696 L697 I698 | M26-Y694 HydrophobicContact CB-CE2 4.48Å; M26-Y694 HydrophobicContact CG-CE2 4.33Å; C689-Y694 HydrophobicContact CB-CD2 4.19Å; C689-Y694 WeakPolarHBondContact SG-CA 3.39Å; C689-Y694 VanDerWaalsContact SG-CB 3.54Å; C689-Y694 PolarHBondContact SG-N 2.95Å; D690-Y694 PolarHBondContact O-N 2.64Å; Y694-V696 VanDerWaalsContact C-N 3.33Å; Y694-V696 PolarHBondContact O-N 3.37Å; Y694-L697 PolarHBondContact O-N 3.47Å; Y694-I698 HydrophobicContact CD1-CD1 3.71Å; Y694-I698 HydrophobicContact CD2-CD1 4.28Å; Y694-I698 HydrophobicContact CE1-CD1 3.17Å; Y694-I698 HydrophobicContact CE1-CG1 4.38Å; Y694-I698 HydrophobicContact CE2-CD1 3.79Å; Y694-I698 HydrophobicContact CE2-CG1 4.4Å; Y694-I698 HydrophobicContact CG-CD1 4.25Å; Y694-I698 WeakPolarHBondContact O-CB 3.3Å; Y694-I698 PolarHBondContact O-N 2.8Å; Y694-I698 WeakPolarHBondContact OH-CD1 3.47Å |
| 695 | T | 81.1 | Confident | 77.6 | Confident | 87 Ų | 87 | 52 Ų | 52 | 53% | 0.534 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | P691 Q692 I693 S699 | P691-T695 PolarHBondContact O-N 3.03Å; P691-T695 VanDerWaalsContact O-N 3.1Å; P691-T695 PolarHBondContact O-OG1 3.08Å; Q692-T695 PolarHBondContact O-N 2.66Å; I693-T695 VanDerWaalsContact C-N 3.27Å; I693-T695 PolarHBondContact O-N 3.39Å; T695-S699 PolarHBondContact O-N 2.66Å; T695-S699 VanDerWaalsContact O-N 3.13Å |
| 696 | V | 83.7 | Confident | 76.5 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | L662 M667 Q692 I693 Y694 I698 S699 | L662-V696 HydrophobicContact CB-CG1 4.31Å; L662-V696 HydrophobicContact CD2-CB 4.39Å; L662-V696 HydrophobicContact CD2-CG1 3.97Å; L662-V696 HydrophobicContact CG-CG1 4.09Å; M667-V696 HydrophobicContact CB-CG1 4.38Å; Q692-V696 WeakPolarHBondContact O-CG2 3.27Å; Q692-V696 PolarHBondContact O-N 3.01Å; I693-V696 PolarHBondContact O-N 3.29Å; I693-V696 VanDerWaalsContact O-N 3.11Å; Y694-V696 VanDerWaalsContact C-N 3.33Å; Y694-V696 PolarHBondContact O-N 3.37Å; V696-I698 VanDerWaalsContact C-N 3.3Å; V696-I698 PolarHBondContact O-N 2.76Å; V696-S699 WeakPolarHBondContact O-CB 3.2Å; V696-S699 PolarHBondContact O-N 3.41Å; V696-S699 PolarHBondContact O-OG 2.78Å |
| 697 | L | 82.3 | Confident | 75.7 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.3 | -76 | 170.8 | 0 | 0 | 0 | 112.5 | I656 L662 V670 I693 Y694 S699 I707 | I656-L697 HydrophobicContact CD1-CD1 3.95Å; L662-L697 HydrophobicContact CD2-CD2 3.46Å; L662-L697 VanDerWaalsContact CD2-CD2 3.46Å; L662-L697 HydrophobicContact CD2-CG 3.63Å; V670-L697 HydrophobicContact CB-CD2 4.49Å; V670-L697 HydrophobicContact CG1-CD2 4.08Å; I693-L697 HydrophobicContact CG2-CD1 3.97Å; I693-L697 HydrophobicContact CG2-CG 4.31Å; I693-L697 WeakPolarHBondContact O-CG 3.45Å; I693-L697 PolarHBondContact O-N 3.49Å; Y694-L697 PolarHBondContact O-N 3.47Å; L697-S699 VanDerWaalsContact C-N 3.33Å; L697-I707 HydrophobicContact CB-CD1 4.33Å; L697-I707 HydrophobicContact CB-CG2 4.35Å; L697-I707 VanDerWaalsContact O-CD1 3.29Å; L697-I707 WeakPolarHBondContact O-CD1 3.44Å |
| 698 | I | 79.2 | Confident | 75 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.5 | -17.6 | 179.3 | -83.2 | -176 | 0 | 0 | 0 | 113.5 | Y694 V696 D700 L704 I707 Q708 | Y694-I698 HydrophobicContact CD1-CD1 3.71Å; Y694-I698 HydrophobicContact CD2-CD1 4.28Å; Y694-I698 HydrophobicContact CE1-CD1 3.17Å; Y694-I698 HydrophobicContact CE1-CG1 4.38Å; Y694-I698 HydrophobicContact CE2-CD1 3.79Å; Y694-I698 HydrophobicContact CE2-CG1 4.4Å; Y694-I698 HydrophobicContact CG-CD1 4.25Å; Y694-I698 WeakPolarHBondContact O-CB 3.3Å; Y694-I698 PolarHBondContact O-N 2.8Å; Y694-I698 WeakPolarHBondContact OH-CD1 3.47Å; V696-I698 VanDerWaalsContact C-N 3.3Å; V696-I698 PolarHBondContact O-N 2.76Å; I698-D700 PolarHBondContact O-N 3.43Å; I698-D700 VanDerWaalsContact O-N 3.17Å; I698-L704 HydrophobicContact CB-CD1 3.98Å; I698-L704 HydrophobicContact CD1-CD1 4.08Å; I698-L704 HydrophobicContact CG1-CD1 3.76Å; I698-L704 HydrophobicContact CG2-CD1 3.53Å; I698-I707 HydrophobicContact CG1-CG2 4.45Å; I698-Q708 HydrophobicContact CD1-CG 4.02Å |
| 699 | S | 76.6 | Confident | 75.2 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22 | -177.5 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | T695 V696 L697 N701 | T695-S699 PolarHBondContact O-N 2.66Å; T695-S699 VanDerWaalsContact O-N 3.13Å; V696-S699 WeakPolarHBondContact O-CB 3.2Å; V696-S699 PolarHBondContact O-N 3.41Å; V696-S699 PolarHBondContact O-OG 2.78Å; L697-S699 VanDerWaalsContact C-N 3.33Å; S699-N701 PolarHBondContact O-N 3.21Å |
| 700 | D | 73 | Confident | 75.9 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | trans | -83.7 | 104.5 | 170.5 | -170.6 | 10 | 0 | 0 | 0 | 110.8 | M667 I698 L702 T703 L704 | M667-D700 HydrophobicContact CE-CB 4.08Å; M667-D700 HydrophobicContact SD-CB 3.78Å; I698-D700 PolarHBondContact O-N 3.43Å; I698-D700 VanDerWaalsContact O-N 3.17Å; D700-L702 PolarHBondContact O-N 3.21Å; D700-L702 PolarHBondContact OD1-N 3.48Å; D700-T703 PolarHBondContact O-N 3.3Å; D700-T703 VanDerWaalsContact O-N 3.17Å; D700-T703 PolarHBondContact O-OG1 2.85Å; D700-L704 PolarHBondContact O-N 3.44Å | ||
| 701 | N | 64.4 | Low | 76.3 | Confident | 139 Ų | 139 | 55.5 Ų | 55.5 | 74% | 0.743 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -25.4 | 179.5 | -75.7 | -23.3 | 0 | 0 | 0 | 113.3 | S699 T703 | S699-N701 PolarHBondContact O-N 3.21Å; N701-T703 VanDerWaalsContact C-N 3.3Å; N701-T703 PolarHBondContact O-N 3.19Å |
| 702 | L | 60.5 | Low | 76.9 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 71% | 0.712 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.3 | -177.4 | -68 | 171.8 | 0 | 0 | 0 | 113.4 | D700 | D700-L702 PolarHBondContact O-N 3.21Å; D700-L702 PolarHBondContact OD1-N 3.48Å |
| 703 | T | 63.2 | Low | 77.3 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 1.8 | -176.2 | 40 | 0 | 0 | 0 | 0 | 113.9 | T671 D700 N701 S705 Q706 I707 | T671-T703 HydrophobicContact CG2-CG2 3.62Å; D700-T703 PolarHBondContact O-N 3.3Å; D700-T703 VanDerWaalsContact O-N 3.17Å; D700-T703 PolarHBondContact O-OG1 2.85Å; N701-T703 VanDerWaalsContact C-N 3.3Å; N701-T703 PolarHBondContact O-N 3.19Å; T703-S705 PolarHBondContact O-N 2.84Å; T703-Q706 PolarHBondContact O-N 3.04Å; T703-Q706 VanDerWaalsContact O-N 3.11Å; T703-I707 WeakPolarHBondContact O-CG1 3.25Å; T703-I707 PolarHBondContact O-N 3.33Å |
| 704 | L | 65.9 | Low | 77.6 | Confident | 50 Ų | 50 | 49 Ų | 49 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -49.5 | -54.6 | -175.6 | 178.2 | 56.4 | 0 | 0 | 0 | 113.3 | I698 D700 Q706 I707 Q708 | I698-L704 HydrophobicContact CB-CD1 3.98Å; I698-L704 HydrophobicContact CD1-CD1 4.08Å; I698-L704 HydrophobicContact CG1-CD1 3.76Å; I698-L704 HydrophobicContact CG2-CD1 3.53Å; D700-L704 PolarHBondContact O-N 3.44Å; L704-Q706 VanDerWaalsContact C-N 3.31Å; L704-Q706 PolarHBondContact O-N 2.86Å; L704-I707 PolarHBondContact O-N 2.87Å; L704-Q708 HydrophobicContact CD1-CG 4.08Å; L704-Q708 WeakPolarHBondContact O-CB 3.43Å; L704-Q708 WeakPolarHBondContact O-CG 3.43Å; L704-Q708 PolarHBondContact O-N 3.21Å |
| 705 | S | 67.1 | Low | 78.1 | Confident | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.6 | -34.6 | -177.9 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | T703 H709 | T703-S705 PolarHBondContact O-N 2.84Å; S705-H709 PolarHBondContact O-CD2 3.33Å; S705-H709 VanDerWaalsContact O-CD2 3.23Å; S705-H709 PolarHBondContact O-N 3.41Å |
| 706 | Q | 71.5 | Confident | 78.8 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72 | -41.1 | 179.4 | -169.9 | 170 | 4.9 | 0 | 0 | 111.4 | I674 T703 L704 N710 | I674-Q706 HydrophobicContact CG2-CG 4.13Å; T703-Q706 PolarHBondContact O-N 3.04Å; T703-Q706 VanDerWaalsContact O-N 3.11Å; L704-Q706 VanDerWaalsContact C-N 3.31Å; L704-Q706 PolarHBondContact O-N 2.86Å; Q706-N710 WeakPolarHBondContact O-CB 3.3Å; Q706-N710 PolarHBondContact O-N 3.35Å; Q706-N710 PolarHBondContact O-ND2 3.45Å |
| 707 | I | 75.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.6 | -42.5 | -178.9 | -67.1 | 169.4 | 0 | 0 | 0 | 111 | I674 L697 I698 T703 L704 H709 N710 S711 | I674-I707 HydrophobicContact CD1-CD1 4.48Å; I674-I707 HydrophobicContact CD1-CG1 4.16Å; L697-I707 HydrophobicContact CB-CD1 4.33Å; L697-I707 HydrophobicContact CB-CG2 4.35Å; L697-I707 VanDerWaalsContact O-CD1 3.29Å; L697-I707 WeakPolarHBondContact O-CD1 3.44Å; I698-I707 HydrophobicContact CG1-CG2 4.45Å; T703-I707 WeakPolarHBondContact O-CG1 3.25Å; T703-I707 PolarHBondContact O-N 3.33Å; L704-I707 PolarHBondContact O-N 2.87Å; I707-H709 PolarHBondContact O-N 2.89Å; I707-N710 PolarHBondContact O-N 3.24Å; I707-S711 WeakPolarHBondContact O-CB 3.33Å; I707-S711 PolarHBondContact O-N 3.4Å; I707-S711 VanDerWaalsContact O-N 3.08Å; I707-S711 PolarHBondContact O-OG 3.48Å |
| 708 | Q | 75 | Confident | 79.8 | Confident | 59 Ų | 59 | 45 Ų | 45 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.7 | -50 | 180 | -80.9 | -179.4 | -34.2 | 0 | 0 | 112.3 | I698 L704 N710 | I698-Q708 HydrophobicContact CD1-CG 4.02Å; L704-Q708 HydrophobicContact CD1-CG 4.08Å; L704-Q708 WeakPolarHBondContact O-CB 3.43Å; L704-Q708 WeakPolarHBondContact O-CG 3.43Å; L704-Q708 PolarHBondContact O-N 3.21Å; Q708-N710 PolarHBondContact O-N 2.9Å |
| 709 | H | 78.9 | Confident | 80.5 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.3 | -27.6 | 179.8 | -69.4 | -43.8 | 0 | 0 | 0 | 114 | D27 S705 I707 | D27-H709 IonicContact OD2-CE1 2.65Å; D27-H709 IonicContact OD2-ND1 2.83Å; D27-H709 PolarHBondContact OD2-ND1 3.4Å; S705-H709 PolarHBondContact O-CD2 3.33Å; S705-H709 VanDerWaalsContact O-CD2 3.23Å; S705-H709 PolarHBondContact O-N 3.41Å; I707-H709 PolarHBondContact O-N 2.89Å |
| 710 | N | 86.7 | Confident | 81.3 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -93 | 2.8 | -177.6 | -67.4 | 0.9 | 0 | 0 | 0 | 113.6 | I684 L685 F686 Q706 I707 Q708 F712 | I684-N710 WeakPolarHBondContact O-CB 3.33Å; I684-N710 PolarHBondContact O-ND2 3.22Å; L685-N710 CarbonylContact C-O 3.44Å; L685-N710 VanDerWaalsContact CA-O 3.25Å; L685-N710 WeakPolarHBondContact CA-O 3.48Å; F686-N710 PolarHBondContact N-O 3.19Å; Q706-N710 WeakPolarHBondContact O-CB 3.3Å; Q706-N710 PolarHBondContact O-N 3.35Å; Q706-N710 PolarHBondContact O-ND2 3.45Å; I707-N710 PolarHBondContact O-N 3.24Å; Q708-N710 PolarHBondContact O-N 2.9Å; N710-F712 WeakPolarHBondContact O-CD2 3.23Å |
| 711 | S | 89.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.9 | 178.8 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | N25 M26 F686 I707 | N25-S711 CarbonylContact C-O 3.06Å; N25-S711 WeakPolarHBondContact CA-O 3.38Å; N25-S711 WeakPolarHBondContact CB-O 3.34Å; M26-S711 PolarHBondContact N-O 3.39Å; F686-S711 CarbonylContact O-C 3.51Å; F686-S711 WeakPolarHBondContact O-CA 3.47Å; I707-S711 WeakPolarHBondContact O-CB 3.33Å; I707-S711 PolarHBondContact O-N 3.4Å; I707-S711 VanDerWaalsContact O-N 3.08Å; I707-S711 PolarHBondContact O-OG 3.48Å |
| 712 | F | 92.2 | Very high | 83.6 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.6 | -176.2 | -70.1 | -97.3 | 0 | 0 | 0 | 112 | I23 N25 L685 F686 T687 L688 N710 S714 D717 A718 Y721 | I23-F712 HydrophobicContact CG2-CE1 4.49Å; N25-F712 HydrophobicContact CB-CD1 4.21Å; N25-F712 HydrophobicContact CB-CE1 4.06Å; N25-F712 HydrophobicContact CB-CZ 4.33Å; L685-F712 HydrophobicContact CB-CD2 4.42Å; L685-F712 HydrophobicContact CB-CE2 4.49Å; L685-F712 HydrophobicContact CD2-CD2 3.84Å; L685-F712 HydrophobicContact CD2-CE2 3.34Å; L685-F712 HydrophobicContact CD2-CZ 4.03Å; L685-F712 HydrophobicContact CG-CD2 4.42Å; L685-F712 HydrophobicContact CG-CE2 4Å; F686-F712 PolarHBondContact O-N 3.15Å; T687-F712 WeakPolarHBondContact CA-O 3.32Å; T687-F712 HydrophobicContact CG2-CB 4.4Å; L688-F712 PolarHBondContact N-O 2.98Å; N710-F712 WeakPolarHBondContact O-CD2 3.23Å; F712-S714 VanDerWaalsContact C-N 3.35Å; F712-D717 HydrophobicContact CB-CB 4.48Å; F712-D717 HydrophobicContact CD1-CB 3.96Å; F712-A718 HydrophobicContact CB-CB 3.9Å; F712-A718 HydrophobicContact CD1-CB 4.3Å; F712-A718 HydrophobicContact CD2-CB 3.89Å; F712-A718 HydrophobicContact CG-CB 3.76Å; F712-Y721 HydrophobicContact CE1-CD1 4.37Å; F712-Y721 HydrophobicContact CE1-CD2 4.29Å; F712-Y721 AromaticContact CE1-CG 3.89Å; F712-Y721 HydrophobicContact CE1-CG 3.89Å; F712-Y721 HydrophobicContact CE2-CD1 4.27Å; F712-Y721 AromaticContact CZ-CD1 3.59Å; F712-Y721 HydrophobicContact CZ-CD1 3.59Å; F712-Y721 AromaticContact CZ-CD2 3.99Å; F712-Y721 HydrophobicContact CZ-CD2 3.99Å; F712-Y721 HydrophobicContact CZ-CE1 4.08Å; F712-Y721 HydrophobicContact CZ-CE2 4.44Å; F712-Y721 AromaticContact CZ-CG 3.52Å; F712-Y721 HydrophobicContact CZ-CG 3.52Å |
| 713 | I | 88.9 | Confident | 85.2 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -77 | -23.4 | -177.9 | -160.8 | 62.7 | 0 | 0 | 0 | 112.8 | M26 F29 L688 D717 | M26-I713 HydrophobicContact CE-CD1 4.21Å; M26-I713 HydrophobicContact SD-CD1 4.11Å; F29-I713 HydrophobicContact CD1-CD1 4.41Å; F29-I713 HydrophobicContact CD2-CG1 4.35Å; F29-I713 HydrophobicContact CE1-CD1 4.43Å; F29-I713 HydrophobicContact CE2-CG1 4.39Å; L688-I713 WeakPolarHBondContact CD2-O 3.27Å; L688-I713 VanDerWaalsContact CG-O 3.28Å; L688-I713 WeakPolarHBondContact CG-O 3.43Å; I713-D717 VanDerWaalsContact CG2-OD2 3.26Å; I713-D717 WeakPolarHBondContact CG2-OD2 3.21Å |
| 714 | S | 91.6 | Very high | 86.5 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -144.2 | 159.1 | 176.3 | 79.3 | 0 | 0 | 0 | 0 | 111.4 | R21 F712 H716 D717 A718 | R21-S714 PolarHBondContact NH2-OG 2.66Å; F712-S714 VanDerWaalsContact C-N 3.35Å; S714-H716 VanDerWaalsContact C-N 3.26Å; S714-H716 PolarHBondContact O-N 3.32Å; S714-H716 PolarHBondContact OG-N 2.81Å; S714-D717 WeakPolarHBondContact CB-OD2 2.97Å; S714-D717 PolarHBondContact O-N 2.77Å; S714-D717 VanDerWaalsContact OG-CG 3.23Å; S714-D717 PolarHBondContact OG-N 2.85Å; S714-D717 VanDerWaalsContact OG-N 3.15Å; S714-D717 PolarHBondContact OG-OD2 2.74Å; S714-A718 PolarHBondContact O-N 3.31Å |
| 715 | I | 93.8 | Very high | 87.6 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 173.9 | -60.6 | 168.6 | 0 | 0 | 0 | 110.4 | L514 Y523 I540 D655 T687 D717 A718 V719 | L514-I715 HydrophobicContact CD1-CD1 3.76Å; Y523-I715 HydrophobicContact CD1-CG2 4.1Å; Y523-I715 HydrophobicContact CD2-CB 4.04Å; Y523-I715 HydrophobicContact CD2-CG2 3.64Å; Y523-I715 HydrophobicContact CE1-CG2 4.28Å; Y523-I715 HydrophobicContact CE2-CB 4.27Å; Y523-I715 HydrophobicContact CE2-CG2 3.82Å; Y523-I715 HydrophobicContact CG-CG2 3.78Å; I540-I715 HydrophobicContact CD1-CG2 4.03Å; I540-I715 HydrophobicContact CG2-CG2 3.97Å; D655-I715 HydrophobicContact CB-CD1 4.24Å; T687-I715 HydrophobicContact CG2-CG1 4.17Å; I715-D717 VanDerWaalsContact C-N 3.34Å; I715-D717 PolarHBondContact O-N 3.24Å; I715-A718 PolarHBondContact O-N 3.35Å; I715-V719 HydrophobicContact CG2-CG2 4.25Å; I715-V719 WeakPolarHBondContact O-CG2 3.37Å; I715-V719 PolarHBondContact O-N 3.24Å |
| 716 | H | 94.6 | Very high | 88.6 | Confident | 51 Ų | 51 | 34.5 Ų | 34.5 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | -178.4 | -165.9 | 63.8 | 0 | 0 | 0 | 112.5 | N521 Y523 S714 V719 I720 | N521-H716 HydrophobicContact CB-CB 4.28Å; Y523-H716 HydrophobicContact CE2-CB 3.9Å; Y523-H716 AromaticContact CE2-ND1 3.9Å; Y523-H716 AromaticContact CZ-ND1 3.98Å; Y523-H716 PolarHBondContact OH-ND1 2.96Å; S714-H716 VanDerWaalsContact C-N 3.26Å; S714-H716 PolarHBondContact O-N 3.32Å; S714-H716 PolarHBondContact OG-N 2.81Å; H716-V719 PolarHBondContact O-N 2.96Å; H716-I720 VanDerWaalsContact CD2-CD1 3.45Å; H716-I720 WeakPolarHBondContact CD2-CD1 3.48Å; H716-I720 WeakPolarHBondContact NE2-CD1 3.35Å; H716-I720 WeakPolarHBondContact O-CG1 3.35Å; H716-I720 PolarHBondContact O-N 2.89Å |
| 717 | D | 93.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.1 | -68.2 | -52.2 | 0 | 0 | 0 | 112.2 | R21 I23 F712 I713 S714 I715 V719 I720 Y721 | R21-D717 IonicContact CZ-OD1 2.66Å; R21-D717 VanDerWaalsContact CZ-OD1 3.29Å; R21-D717 IonicContact CZ-OD2 3.29Å; R21-D717 VanDerWaalsContact NH1-CG 3.34Å; R21-D717 IonicContact NH1-OD1 3.77Å; R21-D717 PolarHBondContact NH1-OD1 3.2Å; R21-D717 IonicContact NH1-OD2 3.47Å; R21-D717 PolarHBondContact NH1-OD2 2.72Å; R21-D717 VanDerWaalsContact NH2-CG 3.27Å; R21-D717 IonicContact NH2-OD1 3.06Å; R21-D717 PolarHBondContact NH2-OD1 3.33Å; R21-D717 IonicContact NH2-OD2 2.72Å; R21-D717 PolarHBondContact NH2-OD2 3.21Å; I23-D717 HydrophobicContact CG2-CB 3.93Å; F712-D717 HydrophobicContact CB-CB 4.48Å; F712-D717 HydrophobicContact CD1-CB 3.96Å; I713-D717 VanDerWaalsContact CG2-OD2 3.26Å; I713-D717 WeakPolarHBondContact CG2-OD2 3.21Å; S714-D717 WeakPolarHBondContact CB-OD2 2.97Å; S714-D717 PolarHBondContact O-N 2.77Å; S714-D717 VanDerWaalsContact OG-CG 3.23Å; S714-D717 PolarHBondContact OG-N 2.85Å; S714-D717 VanDerWaalsContact OG-N 3.15Å; S714-D717 PolarHBondContact OG-OD2 2.74Å; I715-D717 VanDerWaalsContact C-N 3.34Å; I715-D717 PolarHBondContact O-N 3.24Å; D717-V719 VanDerWaalsContact C-N 3.31Å; D717-V719 PolarHBondContact O-N 3.28Å; D717-I720 PolarHBondContact O-N 2.99Å; D717-Y721 WeakPolarHBondContact O-CB 3.48Å; D717-Y721 PolarHBondContact O-N 3.4Å |
| 718 | A | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I653 L685 T687 F712 S714 I715 Y721 C722 | I653-A718 HydrophobicContact CD1-CB 3.84Å; I653-A718 HydrophobicContact CG1-CB 4.3Å; I653-A718 HydrophobicContact CG2-CB 4.08Å; L685-A718 HydrophobicContact CD2-CB 4.05Å; T687-A718 HydrophobicContact CG2-CB 3.81Å; F712-A718 HydrophobicContact CB-CB 3.9Å; F712-A718 HydrophobicContact CD1-CB 4.3Å; F712-A718 HydrophobicContact CD2-CB 3.89Å; F712-A718 HydrophobicContact CG-CB 3.76Å; S714-A718 PolarHBondContact O-N 3.31Å; I715-A718 PolarHBondContact O-N 3.35Å; A718-Y721 PolarHBondContact O-N 3.27Å; A718-C722 PolarHBondContact O-N 3.18Å; A718-C722 PolarHBondContact O-SG 3.32Å |
| 719 | V | 94.7 | Very high | 89 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -48.3 | 178.4 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | Y523 L535 I540 I653 I715 H716 D717 Y721 C722 Q723 | Y523-V719 HydrophobicContact CE1-CG2 3.87Å; Y523-V719 VanDerWaalsContact OH-CB 3.25Å; Y523-V719 WeakPolarHBondContact OH-CB 3.45Å; Y523-V719 VanDerWaalsContact OH-CG1 3.3Å; Y523-V719 WeakPolarHBondContact OH-CG1 3.48Å; Y523-V719 WeakPolarHBondContact OH-CG2 3.42Å; L535-V719 HydrophobicContact CD1-CB 4.47Å; L535-V719 HydrophobicContact CD1-CG1 3.47Å; L535-V719 VanDerWaalsContact CD1-CG1 3.47Å; L535-V719 HydrophobicContact CD1-CG2 4.1Å; I540-V719 HydrophobicContact CD1-CG2 3.58Å; I540-V719 HydrophobicContact CG1-CG2 4.39Å; I653-V719 HydrophobicContact CD1-CB 4.41Å; I653-V719 HydrophobicContact CD1-CG2 3.55Å; I715-V719 HydrophobicContact CG2-CG2 4.25Å; I715-V719 WeakPolarHBondContact O-CG2 3.37Å; I715-V719 PolarHBondContact O-N 3.24Å; H716-V719 PolarHBondContact O-N 2.96Å; D717-V719 VanDerWaalsContact C-N 3.31Å; D717-V719 PolarHBondContact O-N 3.28Å; V719-Y721 VanDerWaalsContact C-N 3.26Å; V719-Y721 PolarHBondContact O-N 2.87Å; V719-C722 PolarHBondContact O-N 3.04Å; V719-C722 VanDerWaalsContact O-N 3.14Å; V719-Q723 HydrophobicContact CG1-CG 4.27Å; V719-Q723 WeakPolarHBondContact O-CG 3.3Å; V719-Q723 PolarHBondContact O-N 3.43Å |
| 720 | I | 93.1 | Very high | 88.3 | Confident | 54 Ų | 54 | 37.1 Ų | 37.1 | 28% | 0.277 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 178.3 | -62.5 | 163.4 | 0 | 0 | 0 | 109.9 | I23 H716 D717 C722 Q723 S724 | I23-I720 HydrophobicContact CD1-CB 4.03Å; I23-I720 HydrophobicContact CD1-CG2 3.37Å; I23-I720 HydrophobicContact CG1-CB 4.49Å; I23-I720 HydrophobicContact CG1-CG2 4.19Å; H716-I720 VanDerWaalsContact CD2-CD1 3.45Å; H716-I720 WeakPolarHBondContact CD2-CD1 3.48Å; H716-I720 WeakPolarHBondContact NE2-CD1 3.35Å; H716-I720 WeakPolarHBondContact O-CG1 3.35Å; H716-I720 PolarHBondContact O-N 2.89Å; D717-I720 PolarHBondContact O-N 2.99Å; I720-C722 PolarHBondContact O-N 3.42Å; I720-Q723 PolarHBondContact O-N 3.06Å; I720-S724 WeakPolarHBondContact O-CB 3.46Å; I720-S724 PolarHBondContact O-N 3.37Å |
| 721 | Y | 93 | Very high | 86.9 | Confident | 71 Ų | 71 | 39.8 Ų | 39.8 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.6 | -48.9 | 174.7 | 173.9 | -95.5 | 0 | 0 | 0 | 111.7 | L685 F712 D717 A718 V719 Q723 S724 I725 | L685-Y721 HydrophobicContact CD2-CD1 3.87Å; L685-Y721 HydrophobicContact CD2-CE1 4.29Å; F712-Y721 HydrophobicContact CE1-CD1 4.37Å; F712-Y721 HydrophobicContact CE1-CD2 4.29Å; F712-Y721 AromaticContact CE1-CG 3.89Å; F712-Y721 HydrophobicContact CE1-CG 3.89Å; F712-Y721 HydrophobicContact CE2-CD1 4.27Å; F712-Y721 AromaticContact CZ-CD1 3.59Å; F712-Y721 HydrophobicContact CZ-CD1 3.59Å; F712-Y721 AromaticContact CZ-CD2 3.99Å; F712-Y721 HydrophobicContact CZ-CD2 3.99Å; F712-Y721 HydrophobicContact CZ-CE1 4.08Å; F712-Y721 HydrophobicContact CZ-CE2 4.44Å; F712-Y721 AromaticContact CZ-CG 3.52Å; F712-Y721 HydrophobicContact CZ-CG 3.52Å; D717-Y721 WeakPolarHBondContact O-CB 3.48Å; D717-Y721 PolarHBondContact O-N 3.4Å; A718-Y721 PolarHBondContact O-N 3.27Å; V719-Y721 VanDerWaalsContact C-N 3.26Å; V719-Y721 PolarHBondContact O-N 2.87Å; Y721-Q723 PolarHBondContact O-N 3.4Å; Y721-S724 PolarHBondContact O-N 3.36Å; Y721-S724 PolarHBondContact O-OG 2.84Å; Y721-I725 HydrophobicContact CD1-CD1 3.99Å; Y721-I725 HydrophobicContact CE1-CD1 3.37Å; Y721-I725 HydrophobicContact CE2-CD1 3.96Å; Y721-I725 PolarHBondContact O-N 3.46Å |
| 722 | C | 93.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.7 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | I538 F651 L685 A718 V719 I720 S724 I725 L726 | I538-C722 HydrophobicContact CD1-CB 3.43Å; I538-C722 VanDerWaalsContact CD1-CB 3.43Å; I538-C722 HydrophobicContact CG1-CB 3.85Å; F651-C722 HydrophobicContact CB-CB 4.25Å; F651-C722 HydrophobicContact CD1-CB 4.44Å; F651-C722 HydrophobicContact CD2-CB 3.82Å; F651-C722 HydrophobicContact CE2-CB 4.28Å; F651-C722 HydrophobicContact CG-CB 3.92Å; F651-C722 WeakPolarHBondContact CG-SG 3.49Å; L685-C722 VanDerWaalsContact CD2-SG 3.59Å; A718-C722 PolarHBondContact O-N 3.18Å; A718-C722 PolarHBondContact O-SG 3.32Å; V719-C722 PolarHBondContact O-N 3.04Å; V719-C722 VanDerWaalsContact O-N 3.14Å; I720-C722 PolarHBondContact O-N 3.42Å; C722-S724 VanDerWaalsContact C-N 3.3Å; C722-S724 PolarHBondContact O-N 2.96Å; C722-I725 PolarHBondContact O-N 2.89Å; C722-L726 WeakPolarHBondContact O-CG 3.34Å; C722-L726 PolarHBondContact O-N 3.11Å |
| 723 | Q | 92.4 | Very high | 83.5 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 177.9 | -73.3 | 176.3 | -18.6 | 0 | 0 | 112 | I538 V719 I720 Y721 I725 L726 S727 | I538-Q723 HydrophobicContact CD1-CG 3.94Å; V719-Q723 HydrophobicContact CG1-CG 4.27Å; V719-Q723 WeakPolarHBondContact O-CG 3.3Å; V719-Q723 PolarHBondContact O-N 3.43Å; I720-Q723 PolarHBondContact O-N 3.06Å; Y721-Q723 PolarHBondContact O-N 3.4Å; Q723-I725 VanDerWaalsContact C-N 3.31Å; Q723-I725 PolarHBondContact O-N 3.32Å; Q723-L726 PolarHBondContact O-N 3.42Å; Q723-S727 WeakPolarHBondContact O-CB 3.5Å; Q723-S727 PolarHBondContact O-N 3.23Å; Q723-S727 PolarHBondContact O-OG 3.48Å |
| 724 | S | 90.7 | Very high | 81.7 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -33.7 | 177.2 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | I720 Y721 C722 S727 T728 | I720-S724 WeakPolarHBondContact O-CB 3.46Å; I720-S724 PolarHBondContact O-N 3.37Å; Y721-S724 PolarHBondContact O-N 3.36Å; Y721-S724 PolarHBondContact O-OG 2.84Å; C722-S724 VanDerWaalsContact C-N 3.3Å; C722-S724 PolarHBondContact O-N 2.96Å; S724-S727 PolarHBondContact O-OG 3.47Å; S724-T728 PolarHBondContact O-N 3.2Å; S724-T728 PolarHBondContact O-OG1 3.01Å |
| 725 | I | 89 | Confident | 79.4 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -78.4 | -39.6 | 176.8 | -63.5 | 170 | 0 | 0 | 0 | 111 | F651 Y721 C722 Q723 T728 T729 | F651-I725 HydrophobicContact CE1-CD1 4.29Å; F651-I725 HydrophobicContact CE2-CB 4.25Å; F651-I725 HydrophobicContact CE2-CG2 4.24Å; F651-I725 HydrophobicContact CZ-CB 3.87Å; F651-I725 HydrophobicContact CZ-CD1 3.91Å; F651-I725 HydrophobicContact CZ-CG2 3.76Å; Y721-I725 HydrophobicContact CD1-CD1 3.99Å; Y721-I725 HydrophobicContact CE1-CD1 3.37Å; Y721-I725 HydrophobicContact CE2-CD1 3.96Å; Y721-I725 PolarHBondContact O-N 3.46Å; C722-I725 PolarHBondContact O-N 2.89Å; Q723-I725 VanDerWaalsContact C-N 3.31Å; Q723-I725 PolarHBondContact O-N 3.32Å; I725-T728 PolarHBondContact O-N 2.92Å; I725-T729 PolarHBondContact O-N 2.91Å; I725-T729 PolarHBondContact O-OG1 3.12Å |
| 726 | L | 87.9 | Confident | 76.8 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.4 | -72.4 | 172.8 | 0 | 0 | 0 | 111.4 | I538 K650 F651 C722 Q723 T729 I730 | I538-L726 HydrophobicContact CD1-CD1 3.96Å; I538-L726 HydrophobicContact CG1-CD1 3.76Å; K650-L726 HydrophobicContact CB-CD2 4.1Å; K650-L726 HydrophobicContact CD-CD2 3.72Å; K650-L726 HydrophobicContact CG-CD2 4.02Å; F651-L726 HydrophobicContact CD2-CD1 4.3Å; F651-L726 HydrophobicContact CD2-CD2 4.3Å; F651-L726 HydrophobicContact CD2-CG 4.15Å; F651-L726 HydrophobicContact CE2-CD2 4.07Å; F651-L726 HydrophobicContact CE2-CG 3.92Å; C722-L726 WeakPolarHBondContact O-CG 3.34Å; C722-L726 PolarHBondContact O-N 3.11Å; Q723-L726 PolarHBondContact O-N 3.42Å; L726-T729 PolarHBondContact O-N 3.17Å; L726-I730 WeakPolarHBondContact O-CG1 3.44Å; L726-I730 PolarHBondContact O-N 3.4Å |
| 727 | S | 83.6 | Confident | 73.9 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | Q723 S724 T729 I730 T731 | Q723-S727 WeakPolarHBondContact O-CB 3.5Å; Q723-S727 PolarHBondContact O-N 3.23Å; Q723-S727 PolarHBondContact O-OG 3.48Å; S724-S727 PolarHBondContact O-OG 3.47Å; S727-T729 VanDerWaalsContact C-N 3.27Å; S727-T729 PolarHBondContact O-N 3.4Å; S727-I730 PolarHBondContact O-N 2.82Å; S727-T731 PolarHBondContact O-N 3.11Å; S727-T731 VanDerWaalsContact O-N 3.15Å; S727-T731 PolarHBondContact O-OG1 2.99Å |
| 728 | T | 79.6 | Confident | 70.9 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.6 | -34.3 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | S724 I725 T731 N732 | S724-T728 PolarHBondContact O-N 3.2Å; S724-T728 PolarHBondContact O-OG1 3.01Å; I725-T728 PolarHBondContact O-N 2.92Å; T728-T731 WeakPolarHBondContact CA-OG1 3.5Å; T728-T731 PolarHBondContact O-OG1 3.47Å; T728-N732 PolarHBondContact O-N 3.3Å |
| 729 | T | 67.3 | Low | 68 | Low | 40 Ų | 40 | 77.4 Ų | 77.4 | 25% | 0.245 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -71 | -36.3 | 178.1 | -49 | 0 | 0 | 0 | 0 | 111.9 | K650 I725 L726 S727 N733 | K650-T729 VanDerWaalsContact NZ-CG2 3.31Å; I725-T729 PolarHBondContact O-N 2.91Å; I725-T729 PolarHBondContact O-OG1 3.12Å; L726-T729 PolarHBondContact O-N 3.17Å; S727-T729 VanDerWaalsContact C-N 3.27Å; S727-T729 PolarHBondContact O-N 3.4Å; T729-N733 PolarHBondContact O-N 3.31Å |
| 730 | I | 64.2 | Low | 64.8 | Low | 104 Ų | 104 | 83.2 Ų | 83.2 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 178.2 | -65.7 | 165.2 | 0 | 0 | 0 | 110.5 | L726 S727 N732 N733 N734 | L726-I730 WeakPolarHBondContact O-CG1 3.44Å; L726-I730 PolarHBondContact O-N 3.4Å; S727-I730 PolarHBondContact O-N 2.82Å; I730-N732 PolarHBondContact O-N 3.29Å; I730-N733 PolarHBondContact O-N 3.02Å; I730-N734 PolarHBondContact O-N 2.8Å |
| 731 | T | 58 | Low | 61.7 | Low | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | S727 T728 N734 S735 | S727-T731 PolarHBondContact O-N 3.11Å; S727-T731 VanDerWaalsContact O-N 3.15Å; S727-T731 PolarHBondContact O-OG1 2.99Å; T728-T731 WeakPolarHBondContact CA-OG1 3.5Å; T728-T731 PolarHBondContact O-OG1 3.47Å; T731-N734 PolarHBondContact O-N 3.47Å; T731-S735 PolarHBondContact O-N 3.4Å; T731-S735 PolarHBondContact O-OG 3.47Å |
| 732 | N | 56.5 | Low | 58.6 | Low | 100 Ų | 100 | 94.3 Ų | 94.3 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.7 | -33.1 | 179.9 | -71.3 | -5.5 | 0 | 0 | 0 | 113.3 | T728 I730 S735 | T728-N732 PolarHBondContact O-N 3.3Å; I730-N732 PolarHBondContact O-N 3.29Å; N732-S735 PolarHBondContact O-OG 3.1Å |
| 733 | N | 54.6 | Low | 55.4 | Low | 105 Ų | 105 | 101.8 Ų | 101.8 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.8 | -34.7 | 176 | -78.4 | -7.5 | 0 | 0 | 0 | 111.8 | T729 I730 S736 | T729-N733 PolarHBondContact O-N 3.31Å; I730-N733 PolarHBondContact O-N 3.02Å; N733-S736 PolarHBondContact O-OG 3.47Å |
| 734 | N | 49.8 | Very low | 52.2 | Low | 123 Ų | 123 | 104.3 Ų | 104.3 | 66% | 0.658 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.5 | -30.9 | 177.8 | -72 | -14 | 0 | 0 | 0 | 113 | I730 T731 S736 | I730-N734 PolarHBondContact O-N 2.8Å; T731-N734 PolarHBondContact O-N 3.47Å; N734-S736 VanDerWaalsContact C-N 3.31Å; N734-S736 PolarHBondContact O-N 2.79Å |
| 735 | S | 43.3 | Very low | 49.1 | Very low | 78 Ų | 78 | 108.1 Ų | 108.1 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.5 | -19.2 | 176 | 56.7 | 0 | 0 | 0 | 0 | 114 | T731 N732 K737 | T731-S735 PolarHBondContact O-N 3.4Å; T731-S735 PolarHBondContact O-OG 3.47Å; N732-S735 PolarHBondContact O-OG 3.1Å; S735-K737 PolarHBondContact O-N 3.08Å |
| 736 | S | 39 | Very low | 46 | Very low | 95 Ų | 95 | 112.8 Ų | 112.8 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -0.3 | 177.9 | 69.9 | 0 | 0 | 0 | 0 | 115.2 | N733 N734 | N733-S736 PolarHBondContact O-OG 3.47Å; N734-S736 VanDerWaalsContact C-N 3.31Å; N734-S736 PolarHBondContact O-N 2.79Å |
| 737 | K | 34.7 | Very low | 43.1 | Very low | 181 Ų | 181 | 119 Ų | 119 | 79% | 0.787 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -0.6 | 179.6 | -85.3 | -170.7 | 177 | -179.8 | 0 | 116.3 | S735 | S735-K737 PolarHBondContact O-N 3.08Š|
| 738 | D | 29.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -148.2 | 117.7 | 169 | -91 | -43.1 | 0 | 0 | 0 | 110.7 | T740 | D738-T740 PolarHBondContact O-N 3.15Å; D738-T740 VanDerWaalsContact O-N 3.12Å | ||
| 739 | P | 33.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -88.7 | 71.7 | -177.6 | 35.5 | -32.1 | 0 | 0 | 0 | 110.5 | ||||
| 740 | T | 28.2 | Very low | 35.8 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | trans | -158.2 | 131.6 | 161.7 | 37.5 | 0 | 0 | 0 | 0 | 111.3 | D738 | D738-T740 PolarHBondContact O-N 3.15Å; D738-T740 VanDerWaalsContact O-N 3.12Å | ||
| 741 | E | 28.7 | Very low | 33.9 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | trans | 86.9 | 98.4 | 170.4 | -59.6 | -169.9 | 170.9 | 0 | 0 | 118.3 | K743 | E741-K743 PolarHBondContact O-N 2.9Å; E741-K743 IonicContact OE2-NZ 2.81Å; E741-K743 PolarHBondContact OE2-NZ 3.43Å | ||
| 742 | E | 26.2 | Very low | 32.4 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 95% | 0.949 | 72% | 0.721 | S | S | * | * | trans | -55.5 | 101.1 | 151.7 | -71.8 | 177.5 | 148.5 | 0 | 0 | 109.8 | ||||
| 743 | K | 26.6 | Very low | 30.9 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | trans | -110.4 | 113.1 | 158.1 | -82 | 176.8 | -177.5 | 153.5 | 0 | 108.7 | E741 I745 | E741-K743 PolarHBondContact O-N 2.9Å; E741-K743 IonicContact OE2-NZ 2.81Å; E741-K743 PolarHBondContact OE2-NZ 3.43Å; K743-I745 PolarHBondContact O-N 3.04Å | ||
| 744 | T | 25.4 | Very low | 29.5 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -55.4 | 100.7 | 167.6 | -36.7 | 0 | 0 | 0 | 0 | 108.8 | N746 | T744-N746 PolarHBondContact O-N 2.95Å; T744-N746 VanDerWaalsContact O-N 3.1Å | ||
| 745 | I | 26.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -79.1 | 95.3 | 177.3 | -59.8 | 175.4 | 0 | 0 | 0 | 107.7 | K743 L747 | K743-I745 PolarHBondContact O-N 3.04Å; I745-L747 PolarHBondContact O-N 3.31Å | ||
| 746 | N | 23.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 115 | 155.9 | -79.4 | -28 | 0 | 0 | 0 | 107.4 | T744 S748 | T744-N746 PolarHBondContact O-N 2.95Å; T744-N746 VanDerWaalsContact O-N 3.1Å; N746-S748 PolarHBondContact O-N 2.97Å | ||
| 747 | L | 26.4 | Very low | 27 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -67.4 | 75.4 | 165.3 | -87.2 | 151 | 0 | 0 | 0 | 108.7 | I745 I749 | I745-L747 PolarHBondContact O-N 3.31Å; L747-I749 PolarHBondContact O-N 3.26Å | ||
| 748 | S | 23.2 | Very low | 26.7 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | trans | -72.5 | 108.7 | 155.8 | 44.9 | 0 | 0 | 0 | 0 | 106.7 | N746 T750 | N746-S748 PolarHBondContact O-N 2.97Å; S748-T750 VanDerWaalsContact C-N 3.25Å; S748-T750 PolarHBondContact O-N 2.91Å | ||
| 749 | I | 28.9 | Very low | 26.8 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -56.2 | 97.9 | 164.8 | -61.6 | 170.1 | 0 | 0 | 0 | 105.6 | L747 N751 | L747-I749 PolarHBondContact O-N 3.26Å; I749-N751 PolarHBondContact O-N 3.47Å | ||
| 750 | T | 26.2 | Very low | 26.6 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -77.3 | 109.1 | -177.6 | 17.8 | 0 | 0 | 0 | 0 | 107.7 | S748 I752 | S748-T750 VanDerWaalsContact C-N 3.25Å; S748-T750 PolarHBondContact O-N 2.91Å; T750-I752 PolarHBondContact O-N 2.91Å | ||
| 751 | N | 23.9 | Very low | 26.8 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | 42.6 | 77.3 | 135.3 | -61.4 | -12.2 | 0 | 0 | 0 | 115.6 | I749 | I749-N751 PolarHBondContact O-N 3.47Š| ||
| 752 | I | 27.4 | Very low | 26.9 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | -79.4 | 123 | 140.6 | -60.9 | 174.6 | 0 | 0 | 0 | 105.3 | T750 V754 | T750-I752 PolarHBondContact O-N 2.91Å; I752-V754 PolarHBondContact O-N 3.07Å | ||
| 753 | P | 23.2 | Very low | 27.3 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -70.8 | 99.6 | -177 | 28.8 | -31.5 | 0 | 0 | 0 | 108.5 | ||||
| 754 | V | 26.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | -98.5 | 108 | 168.8 | -176 | 0 | 0 | 0 | 0 | 106.1 | I752 Y756 | I752-V754 PolarHBondContact O-N 3.07Å; V754-Y756 PolarHBondContact O-N 3.19Å; V754-Y756 VanDerWaalsContact O-N 3.13Å | ||
| 755 | N | 25.5 | Very low | 28 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -50.3 | 119.3 | 168.7 | -85 | -22 | 0 | 0 | 0 | 108.5 | C757 | N755-C757 PolarHBondContact O-N 3.48Š| ||
| 756 | Y | 26.1 | Very low | 28.4 | Very low | 215 Ų | 215 | 131.7 Ų | 131.7 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | -59.5 | 101.1 | 166.3 | -86 | -99 | 0 | 0 | 0 | 108.1 | V754 | V754-Y756 PolarHBondContact O-N 3.19Å; V754-Y756 VanDerWaalsContact O-N 3.13Å | ||
| 757 | C | 28.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -97.6 | 106 | 148.4 | -89.5 | 0 | 0 | 0 | 0 | 106 | N755 S759 | N755-C757 PolarHBondContact O-N 3.48Å; C757-S759 PolarHBondContact O-N 3.21Å; C757-S759 VanDerWaalsContact O-N 3.11Å | ||
| 758 | D | 27.6 | Very low | 29.2 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | -56.9 | 107.3 | 173.9 | -69.6 | -39 | 0 | 0 | 0 | 110.5 | ||||
| 759 | S | 31.6 | Very low | 29.5 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -163.8 | 65.2 | 151.4 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | C757 I761 | C757-S759 PolarHBondContact O-N 3.21Å; C757-S759 VanDerWaalsContact O-N 3.11Å; S759-I761 PolarHBondContact O-N 3.31Å; S759-I761 VanDerWaalsContact O-N 3.11Å | ||
| 760 | T | 29.4 | Very low | 29.6 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -69 | 99.1 | 161.6 | 33.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 761 | I | 31.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | trans | -87.9 | 110.9 | 157.6 | -61.7 | 175.2 | 0 | 0 | 0 | 105.9 | S759 D765 | S759-I761 PolarHBondContact O-N 3.31Å; S759-I761 VanDerWaalsContact O-N 3.11Å; I761-D765 HydrophobicContact CG2-CB 3.81Å | ||
| 762 | T | 32.1 | Very low | 30.1 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 50% | 0.503 | 74% | 0.735 | S | S | . | * | trans | -76.7 | 150 | 176.9 | 41.8 | 0 | 0 | 0 | 0 | 109.8 | E764 D765 | T762-E764 PolarHBondContact O-N 2.91Å; T762-D765 PolarHBondContact O-N 3.33Å | ||
| 763 | V | 33.4 | Very low | 30.2 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -59.6 | -13.4 | -175.6 | 177.4 | 0 | 0 | 0 | 0 | 113.3 | I766 | V763-I766 PolarHBondContact O-N 3.38Š|
| 764 | E | 32.7 | Very low | 30.6 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -70.2 | -27.2 | 171.3 | -75.9 | -177.4 | 150.9 | 0 | 0 | 113.4 | T762 I766 V767 | T762-E764 PolarHBondContact O-N 2.91Å; E764-I766 PolarHBondContact O-N 3.13Å; E764-V767 PolarHBondContact O-N 3.41Å |
| 765 | D | 33.8 | Very low | 30.4 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 50% | 0.503 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -71.6 | -16.7 | 177.3 | -70.1 | -26.5 | 0 | 0 | 0 | 112.8 | I761 T762 V767 | I761-D765 HydrophobicContact CG2-CB 3.81Å; T762-D765 PolarHBondContact O-N 3.33Å; D765-V767 VanDerWaalsContact C-N 3.33Å |
| 766 | I | 36.5 | Very low | 30.5 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 67% | 0.672 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -80 | -17.2 | 179.5 | -61.3 | 175.9 | 0 | 0 | 0 | 111.6 | V763 E764 | V763-I766 PolarHBondContact O-N 3.38Å; E764-I766 PolarHBondContact O-N 3.13Å |
| 767 | V | 33 | Very low | 31 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -94.6 | -8.6 | -173.3 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | E764 D765 | E764-V767 PolarHBondContact O-N 3.41Å; D765-V767 VanDerWaalsContact C-N 3.33Å |
| 768 | T | 33.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -112 | -1.8 | -176.7 | 36 | 0 | 0 | 0 | 0 | 117.9 | K770 | T768-K770 PolarHBondContact O-N 3.04Š|
| 769 | D | 28.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -80.5 | 82 | 166.3 | -96 | -7.5 | 0 | 0 | 0 | 110.3 | L771 | D769-L771 VanDerWaalsContact C-N 3.31Å; D769-L771 PolarHBondContact O-N 3.19Å | ||
| 770 | K | 31.2 | Very low | 31.2 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -45.3 | 102.6 | 152 | -76.9 | 178 | 175.9 | 175.6 | 0 | 107.3 | T768 S772 | T768-K770 PolarHBondContact O-N 3.04Å; K770-S772 VanDerWaalsContact C-N 3.29Å; K770-S772 PolarHBondContact O-N 3.46Å | ||
| 771 | L | 32.2 | Very low | 31.4 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -53.5 | 100.1 | 164.3 | -118 | 95.3 | 0 | 0 | 0 | 107.2 | D769 L773 | D769-L771 VanDerWaalsContact C-N 3.31Å; D769-L771 PolarHBondContact O-N 3.19Å; L771-L773 PolarHBondContact O-N 3.42Å; L771-L773 VanDerWaalsContact O-N 3.08Å | ||
| 772 | S | 28.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -58.4 | 106.2 | 161.6 | 36.4 | 0 | 0 | 0 | 0 | 106.8 | K770 | K770-S772 VanDerWaalsContact C-N 3.29Å; K770-S772 PolarHBondContact O-N 3.46Å | ||
| 773 | L | 30.4 | Very low | 31.3 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -54.4 | 127 | 160.3 | -86 | 125.2 | 0 | 0 | 0 | 107.7 | L771 T775 | L771-L773 PolarHBondContact O-N 3.42Å; L771-L773 VanDerWaalsContact O-N 3.08Å; L773-T775 PolarHBondContact O-N 3.43Å | ||
| 774 | P | 30.6 | Very low | 31.2 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 100 | 171.1 | 28 | -29 | 0 | 0 | 0 | 108 | ||||
| 775 | T | 23.5 | Very low | 31.1 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -80.4 | 138.2 | 154.5 | 31.7 | 0 | 0 | 0 | 0 | 109 | L773 | L773-T775 PolarHBondContact O-N 3.43Š| ||
| 776 | E | 26.1 | Very low | 30.8 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | 84.5 | 114.5 | 178.8 | -52.9 | -178.4 | 171.8 | 0 | 0 | 113.3 | ||||
| 777 | L | 36.3 | Very low | 30.3 | Very low | 241 Ų | 241 | 152 Ų | 152 | 100% | 1.262 | 83% | 0.832 | S | S | * | * | cis | -151.5 | 0 | 23.8 | -154 | 136 | 0 | 0 | 0 | 110.2 |
Retrieved 777 of 777 residues in 254.3 ms
(Link to these results)