| 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 | 30.7 | Very low | 28.5 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 100% | 1.182 | 84% | 0.836 | S | S | * | * | 0 | 122.9 | 0 | -92.1 | -178.7 | 63.1 | 0 | 0 | 105.3 | |||||
| 2 | A | 30.3 | Very low | 28.2 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | trans | 66.6 | 126 | -162.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | D | 29.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | cis | 64.2 | 143 | 33.6 | -41 | -46.4 | 0 | 0 | 0 | 110.4 | ||||
| 4 | E | 30.7 | Very low | 28.6 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | cis | -148.4 | 167.8 | -10.2 | -105.6 | 155.4 | 145.4 | 0 | 0 | 104.8 | ||||
| 5 | E | 28.7 | Very low | 29.1 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | cis | -150 | 173.3 | 16 | -156.7 | -167.6 | 133.9 | 0 | 0 | 108.8 | ||||
| 6 | A | 30.1 | Very low | 29.8 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -142.7 | 106.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G8 | A6-G8 PolarHBondContact O-N 3.11Š| ||
| 7 | G | 26.2 | Very low | 30.8 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -67.4 | 118.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 8 | G | 24.3 | Very low | 32.1 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -75.6 | 124.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A6 | A6-G8 PolarHBondContact O-N 3.11Š| ||
| 9 | T | 27.6 | Very low | 33.6 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | -76.9 | 114.8 | 156.9 | 27.4 | 0 | 0 | 0 | 0 | 108.8 | R11 | T9-R11 PolarHBondContact O-N 3.23Š| ||
| 10 | E | 27.1 | Very low | 35.1 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -59.9 | 120.6 | 174.6 | -67.7 | 178.5 | 130 | 0 | 0 | 110.3 | M12 | E10-M12 PolarHBondContact O-N 3.3Š| ||
| 11 | R | 27.8 | Very low | 37 | Very low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -69.2 | 110.4 | 159.4 | -81.3 | -177.5 | 169.6 | -172.8 | -5.3 | 107.4 | T9 E13 | T9-R11 PolarHBondContact O-N 3.23Å; R11-E13 PolarHBondContact O-N 3.43Å | ||
| 12 | M | 25.5 | Very low | 39.2 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 77% | 0.768 | 69% | 0.688 | S | S | * | * | trans | -66.5 | 98.8 | 165.1 | -79.9 | -178 | 68.8 | 0 | 0 | 109.3 | E10 I14 | E10-M12 PolarHBondContact O-N 3.3Å; M12-I14 VanDerWaalsContact C-N 3.3Å; M12-I14 HydrophobicContact CB-CG1 4.35Å; M12-I14 HydrophobicContact CE-CD1 3.99Å; M12-I14 HydrophobicContact CE-CG1 4.14Å; M12-I14 PolarHBondContact O-N 3.3Å | ||
| 13 | E | 29.1 | Very low | 41.5 | Very low | 186 Ų | 186 | 124 Ų | 124 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | trans | -69.2 | 87.1 | 163.9 | -72.9 | -172.9 | 152 | 0 | 0 | 109.6 | R11 S15 | R11-E13 PolarHBondContact O-N 3.43Å; E13-S15 PolarHBondContact O-N 2.83Å | ||
| 14 | I | 32.4 | Very low | 43.8 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 55% | 0.549 | 67% | 0.674 | S | S | . | * | trans | -80.9 | 75.8 | 165.7 | -52.2 | -177.4 | 0 | 0 | 0 | 108.3 | M12 A16 | M12-I14 VanDerWaalsContact C-N 3.3Å; M12-I14 HydrophobicContact CB-CG1 4.35Å; M12-I14 HydrophobicContact CE-CD1 3.99Å; M12-I14 HydrophobicContact CE-CG1 4.14Å; M12-I14 PolarHBondContact O-N 3.3Å; I14-A16 HydrophobicContact CG2-CB 4.15Å; I14-A16 PolarHBondContact O-N 2.86Å; I14-A16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | S | 35.7 | Very low | 46.2 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 87% | 0.867 | 64% | 0.635 | S | S | * | * | trans | -75.6 | 90.8 | 164.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | E13 | E13-S15 PolarHBondContact O-N 2.83Š| ||
| 16 | A | 40.5 | Very low | 48.7 | Very low | 62 Ų | 62 | 109.2 Ų | 109.2 | 51% | 0.512 | 60% | 0.6 | S | S | . | * | trans | -130.4 | 120.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I14 L18 | I14-A16 HydrophobicContact CG2-CB 4.15Å; I14-A16 PolarHBondContact O-N 2.86Å; I14-A16 VanDerWaalsContact O-N 3.12Å; A16-L18 PolarHBondContact O-N 2.98Å | ||
| 17 | E | 47.3 | Very low | 51 | Low | 192 Ų | 192 | 107.7 Ų | 107.7 | 90% | 0.897 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.3 | 174.1 | -66.3 | -178.8 | 144.2 | 0 | 0 | 110.1 | ||
| 18 | L | 55.1 | Low | 53.7 | Low | 50 Ų | 50 | 106.9 Ų | 106.9 | 26% | 0.262 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 132.8 | -179.3 | -82.7 | 170.2 | 0 | 0 | 0 | 111.2 | A16 Q20 L25 H42 Q45 | A16-L18 PolarHBondContact O-N 2.98Å; L18-Q20 PolarHBondContact O-N 2.89Å; L18-L25 HydrophobicContact CD2-CD1 4.12Å; L18-H42 WeakPolarHBondContact CD2-ND1 3.33Å; L18-Q45 VanDerWaalsContact CD1-OE1 3.26Å |
| 19 | P | 59.8 | Low | 56.5 | Low | 41 Ų | 41 | 103.3 Ų | 103.3 | 27% | 0.266 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 126 | -178.5 | -24.5 | 32.4 | 0 | 0 | 0 | 114 | T21 R24 L25 W28 | P19-T21 VanDerWaalsContact C-N 3.27Å; P19-T21 PolarHBondContact O-N 3.1Å; P19-T21 VanDerWaalsContact O-N 3.12Å; P19-R24 HydrophobicContact CB-CB 3.67Å; P19-L25 HydrophobicContact CG-CD1 4.47Å; P19-W28 HydrophobicContact CG-CB 4.18Å; P19-W28 HydrophobicContact CG-CG 4.46Å |
| 20 | Q | 63.1 | Low | 59 | Low | 191 Ų | 191 | 100.6 Ų | 100.6 | 89% | 0.893 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -72.7 | 1 | -173.2 | -66 | -174.8 | -9.8 | 0 | 0 | 116.8 | L18 | L18-Q20 PolarHBondContact O-N 2.89Š|
| 21 | T | 76.1 | Confident | 61.5 | Low | 60 Ų | 60 | 98.7 Ų | 98.7 | 37% | 0.368 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -133 | 142.9 | 177.4 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | P19 Q23 R24 L25 | P19-T21 VanDerWaalsContact C-N 3.27Å; P19-T21 PolarHBondContact O-N 3.1Å; P19-T21 VanDerWaalsContact O-N 3.12Å; T21-Q23 VanDerWaalsContact C-N 3.33Å; T21-Q23 PolarHBondContact O-N 3.34Å; T21-R24 PolarHBondContact O-N 3.36Å; T21-R24 WeakPolarHBondContact OG1-CD 3.46Å; T21-R24 WeakPolarHBondContact OG1-CG 3.29Å; T21-L25 PolarHBondContact O-N 2.95Å; T21-L25 VanDerWaalsContact O-N 3.12Å |
| 22 | P | 77.1 | Confident | 64.1 | Low | 29 Ų | 29 | 90.2 Ų | 90.2 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -53.4 | -43.1 | -174.7 | -31.3 | 36.9 | 0 | 0 | 0 | 115 | R24 L25 A26 T72 P73 | P22-R24 VanDerWaalsContact C-N 3.33Å; P22-R24 PolarHBondContact O-N 2.85Å; P22-L25 PolarHBondContact O-N 3.31Å; P22-A26 PolarHBondContact O-N 2.76Å; P22-T72 HydrophobicContact CB-CG2 3.99Å; P22-T72 HydrophobicContact CG-CG2 4.18Å; P22-P73 HydrophobicContact CB-CB 4.47Å; P22-P73 HydrophobicContact CB-CG 3.9Å; P22-P73 HydrophobicContact CG-CG 4.38Å |
| 23 | Q | 77.9 | Confident | 66.6 | Low | 104 Ų | 104 | 90.3 Ų | 90.3 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 175.8 | -73.7 | 176.2 | -27.8 | 0 | 0 | 113.4 | T21 S27 W76 | T21-Q23 VanDerWaalsContact C-N 3.33Å; T21-Q23 PolarHBondContact O-N 3.34Å; Q23-S27 WeakPolarHBondContact O-CB 3.43Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 3.39Å; Q23-W76 HydrophobicContact CG-CD2 3.67Å; Q23-W76 HydrophobicContact CG-CE3 3.72Å; Q23-W76 HydrophobicContact CG-CG 4.38Å; Q23-W76 HydrophobicContact CG-CH2 3.96Å; Q23-W76 HydrophobicContact CG-CZ2 3.89Å; Q23-W76 HydrophobicContact CG-CZ3 3.85Å |
| 24 | R | 78.6 | Confident | 69.2 | Low | 171 Ų | 171 | 85 Ų | 85 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -74 | -34.3 | -179.6 | -71.5 | -180 | 175.5 | -175.2 | -0.2 | 111.5 | P19 T21 P22 S27 W28 | P19-R24 HydrophobicContact CB-CB 3.67Å; T21-R24 PolarHBondContact O-N 3.36Å; T21-R24 WeakPolarHBondContact OG1-CD 3.46Å; T21-R24 WeakPolarHBondContact OG1-CG 3.29Å; P22-R24 VanDerWaalsContact C-N 3.33Å; P22-R24 PolarHBondContact O-N 2.85Å; R24-S27 PolarHBondContact O-N 3.33Å; R24-W28 WeakPolarHBondContact O-CB 3.43Å; R24-W28 PolarHBondContact O-N 3.06Å |
| 25 | L | 80.6 | Confident | 71.9 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 174.4 | -174.5 | 67.2 | 0 | 0 | 0 | 111.4 | L18 P19 T21 P22 S27 W28 W29 H42 P73 | L18-L25 HydrophobicContact CD2-CD1 4.12Å; P19-L25 HydrophobicContact CG-CD1 4.47Å; T21-L25 PolarHBondContact O-N 2.95Å; T21-L25 VanDerWaalsContact O-N 3.12Å; P22-L25 PolarHBondContact O-N 3.31Å; L25-S27 VanDerWaalsContact C-N 3.3Å; L25-S27 PolarHBondContact O-N 2.98Å; L25-W28 HydrophobicContact CD1-CE3 4.02Å; L25-W28 WeakPolarHBondContact O-CB 3.42Å; L25-W28 PolarHBondContact O-N 2.96Å; L25-W29 HydrophobicContact CD2-CH2 4Å; L25-W29 HydrophobicContact CD2-CZ2 4.14Å; L25-W29 HydrophobicContact CD2-CZ3 4.45Å; L25-W29 HydrophobicContact CG-CD2 4.48Å; L25-W29 HydrophobicContact CG-CH2 4.33Å; L25-W29 HydrophobicContact CG-CZ2 4.28Å; L25-W29 HydrophobicContact CG-CZ3 4.46Å; L25-W29 PolarHBondContact O-N 3.39Å; L25-H42 WeakPolarHBondContact CD2-CE1 3.44Å; L25-H42 WeakPolarHBondContact CD2-NE2 3.45Å; L25-P73 HydrophobicContact CB-CB 4.42Å; L25-P73 HydrophobicContact CD2-CB 3.76Å; L25-P73 HydrophobicContact CD2-CG 3.89Å; L25-P73 HydrophobicContact CG-CB 4.35Å |
| 26 | A | 79.9 | Confident | 74.5 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57 | -43.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P22 W28 W29 D30 W76 | P22-A26 PolarHBondContact O-N 2.76Å; A26-W28 VanDerWaalsContact C-N 3.28Å; A26-W28 PolarHBondContact O-N 3.17Å; A26-W29 PolarHBondContact O-N 3.44Å; A26-D30 PolarHBondContact O-N 3.09Å; A26-D30 VanDerWaalsContact O-N 3.17Å; A26-W76 HydrophobicContact CB-CB 3.8Å |
| 27 | S | 79.3 | Confident | 76.7 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -29.3 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | Q23 R24 L25 Q31 | Q23-S27 WeakPolarHBondContact O-CB 3.43Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 3.39Å; R24-S27 PolarHBondContact O-N 3.33Å; L25-S27 VanDerWaalsContact C-N 3.3Å; L25-S27 PolarHBondContact O-N 2.98Å; S27-Q31 WeakPolarHBondContact O-CG 3.48Å; S27-Q31 PolarHBondContact O-NE2 3.03Å; S27-Q31 VanDerWaalsContact O-NE2 3.11Å |
| 28 | W | 83.4 | Confident | 78.7 | Confident | 54 Ų | 54 | 69 Ų | 69 | 21% | 0.205 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.6 | -39.7 | 176 | 175.9 | 80.9 | 0 | 0 | 0 | 111.6 | P19 R24 L25 A26 Q31 Q32 A38 | P19-W28 HydrophobicContact CG-CB 4.18Å; P19-W28 HydrophobicContact CG-CG 4.46Å; R24-W28 WeakPolarHBondContact O-CB 3.43Å; R24-W28 PolarHBondContact O-N 3.06Å; L25-W28 HydrophobicContact CD1-CE3 4.02Å; L25-W28 WeakPolarHBondContact O-CB 3.42Å; L25-W28 PolarHBondContact O-N 2.96Å; A26-W28 VanDerWaalsContact C-N 3.28Å; A26-W28 PolarHBondContact O-N 3.17Å; W28-Q31 PolarHBondContact O-N 3.21Å; W28-Q32 HydrophobicContact CD2-CG 4.5Å; W28-Q32 HydrophobicContact CH2-CG 4.45Å; W28-Q32 HydrophobicContact CZ2-CG 4.36Å; W28-Q32 WeakPolarHBondContact O-CG 3.4Å; W28-Q32 PolarHBondContact O-NE2 3.48Å; W28-A38 HydrophobicContact CH2-CB 3.95Å; W28-A38 HydrophobicContact CZ3-CB 4.08Å |
| 29 | W | 83 | Confident | 80.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 174.9 | -79.2 | -34.3 | 0 | 0 | 0 | 113.2 | L25 A26 Q31 Q32 F35 F39 H42 P73 L74 Y77 | L25-W29 HydrophobicContact CD2-CH2 4Å; L25-W29 HydrophobicContact CD2-CZ2 4.14Å; L25-W29 HydrophobicContact CD2-CZ3 4.45Å; L25-W29 HydrophobicContact CG-CD2 4.48Å; L25-W29 HydrophobicContact CG-CH2 4.33Å; L25-W29 HydrophobicContact CG-CZ2 4.28Å; L25-W29 HydrophobicContact CG-CZ3 4.46Å; L25-W29 PolarHBondContact O-N 3.39Å; A26-W29 PolarHBondContact O-N 3.44Å; W29-Q31 PolarHBondContact O-N 3.25Å; W29-Q32 PolarHBondContact O-N 3.34Å; W29-Q32 VanDerWaalsContact O-N 3.09Å; W29-F35 HydrophobicContact CB-CD2 3.98Å; W29-F35 HydrophobicContact CB-CE2 3.96Å; W29-F35 AromaticContact CD2-CE2 3.86Å; W29-F35 HydrophobicContact CD2-CE2 3.86Å; W29-F35 HydrophobicContact CE3-CE2 4.23Å; W29-F35 HydrophobicContact CG-CD2 4.06Å; W29-F35 AromaticContact CG-CE2 3.73Å; W29-F35 HydrophobicContact CG-CE2 3.73Å; W29-F39 HydrophobicContact CZ2-CD2 4.21Å; W29-H42 HydrophobicContact CZ2-CB 4.21Å; W29-H42 AromaticContact CZ2-CD2 3.59Å; W29-H42 AromaticContact CZ2-CG 3.9Å; W29-P73 HydrophobicContact CH2-CB 3.98Å; W29-P73 HydrophobicContact CZ3-CB 3.65Å; W29-L74 HydrophobicContact CH2-CD2 4.09Å; W29-L74 HydrophobicContact CH2-CG 4.15Å; W29-L74 HydrophobicContact CZ3-CD2 3.87Å; W29-L74 HydrophobicContact CZ3-CG 4.05Å; W29-Y77 HydrophobicContact CB-CD1 4.27Å; W29-Y77 HydrophobicContact CB-CE1 4.26Å; W29-Y77 HydrophobicContact CB-CG 4.43Å; W29-Y77 HydrophobicContact CE3-CD1 4.34Å; W29-Y77 HydrophobicContact CE3-CG 4.49Å |
| 30 | D | 79.2 | Confident | 81.9 | Confident | 82 Ų | 82 | 65 Ų | 65 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.6 | 176.6 | -162.7 | 53.7 | 0 | 0 | 0 | 113.1 | A26 Y77 Q189 K192 | A26-D30 PolarHBondContact O-N 3.09Å; A26-D30 VanDerWaalsContact O-N 3.17Å; D30-Y77 HydrophobicContact CB-CD2 4.18Å; D30-Y77 HydrophobicContact CB-CE2 3.59Å; D30-Q189 PolarHBondContact OD1-NE2 3.12Å; D30-K192 IonicContact OD1-NZ 3.36Å; D30-K192 PolarHBondContact OD1-NZ 3.42Å |
| 31 | Q | 80.8 | Confident | 83.1 | Confident | 146 Ų | 146 | 59.2 Ų | 59.2 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -9.3 | 176.6 | -67.5 | 169.1 | 31.2 | 0 | 0 | 113.7 | S27 W28 W29 | S27-Q31 WeakPolarHBondContact O-CG 3.48Å; S27-Q31 PolarHBondContact O-NE2 3.03Å; S27-Q31 VanDerWaalsContact O-NE2 3.11Å; W28-Q31 PolarHBondContact O-N 3.21Å; W29-Q31 PolarHBondContact O-N 3.25Å |
| 32 | Q | 82.1 | Confident | 83.7 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | trans | -82.8 | 140.6 | -179.3 | -57.2 | -47.8 | -53.2 | 0 | 0 | 111.8 | W28 W29 A38 | W28-Q32 HydrophobicContact CD2-CG 4.5Å; W28-Q32 HydrophobicContact CH2-CG 4.45Å; W28-Q32 HydrophobicContact CZ2-CG 4.36Å; W28-Q32 WeakPolarHBondContact O-CG 3.4Å; W28-Q32 PolarHBondContact O-NE2 3.48Å; W29-Q32 PolarHBondContact O-N 3.34Å; W29-Q32 VanDerWaalsContact O-N 3.09Å; Q32-A38 HydrophobicContact CB-CB 3.99Å; Q32-A38 HydrophobicContact CG-CB 3.65Å | ||
| 33 | V | 76.8 | Confident | 84.5 | Confident | 158 Ų | 158 | 55.2 Ų | 55.2 | 96% | 0.958 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -70.2 | -38 | 178 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 34 | D | 85.8 | Confident | 85 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | trans | -120.5 | 109.4 | 170.1 | 179.4 | 19.4 | 0 | 0 | 0 | 110.3 | Y36 T37 A38 | D34-Y36 VanDerWaalsContact C-N 3.29Å; D34-Y36 PolarHBondContact O-N 3.12Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.37Å; D34-Y36 PolarHBondContact OD1-N 3Å; D34-T37 WeakPolarHBondContact OD2-CB 3.11Å; D34-T37 PolarHBondContact OD2-N 3.23Å; D34-T37 PolarHBondContact OD2-OG1 3.04Å; D34-A38 PolarHBondContact O-N 2.96Å | ||
| 35 | F | 88.7 | Confident | 85.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 174.8 | 174.5 | -104.8 | 0 | 0 | 0 | 112.1 | W29 A38 F39 L74 Y77 I193 | W29-F35 HydrophobicContact CB-CD2 3.98Å; W29-F35 HydrophobicContact CB-CE2 3.96Å; W29-F35 AromaticContact CD2-CE2 3.86Å; W29-F35 HydrophobicContact CD2-CE2 3.86Å; W29-F35 HydrophobicContact CE3-CE2 4.23Å; W29-F35 HydrophobicContact CG-CD2 4.06Å; W29-F35 AromaticContact CG-CE2 3.73Å; W29-F35 HydrophobicContact CG-CE2 3.73Å; F35-A38 PolarHBondContact O-N 2.68Å; F35-F39 HydrophobicContact CE1-CB 4.23Å; F35-F39 HydrophobicContact CE1-CG 4.36Å; F35-F39 HydrophobicContact CE2-CB 4.4Å; F35-F39 HydrophobicContact CZ-CB 4.12Å; F35-F39 HydrophobicContact CZ-CD2 4.17Å; F35-F39 HydrophobicContact CZ-CG 4.2Å; F35-F39 WeakPolarHBondContact O-CB 3.2Å; F35-F39 PolarHBondContact O-N 3.06Å; F35-L74 HydrophobicContact CZ-CD2 4.02Å; F35-Y77 HydrophobicContact CD2-CD1 4.18Å; F35-Y77 AromaticContact CD2-CE1 3.42Å; F35-Y77 HydrophobicContact CD2-CE1 3.42Å; F35-Y77 VanDerWaalsContact CD2-CE1 3.42Å; F35-Y77 AromaticContact CE2-CD1 3.62Å; F35-Y77 HydrophobicContact CE2-CD1 3.62Å; F35-Y77 AromaticContact CE2-CE1 3.34Å; F35-Y77 HydrophobicContact CE2-CE1 3.34Å; F35-Y77 HydrophobicContact CG-CE1 4.09Å; F35-Y77 HydrophobicContact CZ-CD1 4.1Å; F35-Y77 AromaticContact CZ-CE1 3.95Å; F35-Y77 HydrophobicContact CZ-CE1 3.95Å; F35-I193 HydrophobicContact CE1-CB 4.27Å; F35-I193 HydrophobicContact CE1-CG1 4.11Å; F35-I193 HydrophobicContact CE1-CG2 4.3Å; F35-I193 HydrophobicContact CZ-CG1 4.14Å; F35-I193 HydrophobicContact CZ-CG2 4.47Å |
| 36 | Y | 88.9 | Confident | 85.9 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -52.8 | -176.6 | -179.4 | -116 | 0 | 0 | 0 | 111.1 | D34 A38 F39 L40 K199 E203 | D34-Y36 VanDerWaalsContact C-N 3.29Å; D34-Y36 PolarHBondContact O-N 3.12Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.37Å; D34-Y36 PolarHBondContact OD1-N 3Å; Y36-A38 VanDerWaalsContact C-N 3.32Å; Y36-A38 PolarHBondContact O-N 2.68Å; Y36-F39 WeakPolarHBondContact O-CB 3.41Å; Y36-F39 PolarHBondContact O-N 2.85Å; Y36-L40 HydrophobicContact CD1-CD1 4.2Å; Y36-L40 HydrophobicContact CD2-CG 4.4Å; Y36-L40 HydrophobicContact CE1-CD1 3.63Å; Y36-L40 HydrophobicContact CE1-CG 4.37Å; Y36-L40 HydrophobicContact CE2-CD1 4.15Å; Y36-L40 HydrophobicContact CE2-CD2 4.1Å; Y36-L40 HydrophobicContact CE2-CG 4.11Å; Y36-L40 WeakPolarHBondContact O-CG 3.35Å; Y36-L40 PolarHBondContact O-N 3.24Å; Y36-K199 HydrophobicContact CE1-CD 4.31Å; Y36-K199 HydrophobicContact CE2-CB 4.12Å; Y36-K199 HydrophobicContact CE2-CD 4.18Å; Y36-K199 HydrophobicContact CE2-CG 4.13Å; Y36-E203 PolarHBondContact OH-OE2 2.73Å |
| 37 | T | 88 | Confident | 86.5 | Confident | 89 Ų | 89 | 45.5 Ų | 45.5 | 55% | 0.546 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 176 | -58.9 | 0 | 0 | 0 | 0 | 112 | D34 F39 L40 H41 | D34-T37 WeakPolarHBondContact OD2-CB 3.11Å; D34-T37 PolarHBondContact OD2-N 3.23Å; D34-T37 PolarHBondContact OD2-OG1 3.04Å; T37-F39 VanDerWaalsContact C-N 3.35Å; T37-F39 PolarHBondContact O-N 3.48Å; T37-L40 PolarHBondContact O-N 3.06Å; T37-H41 WeakPolarHBondContact O-CB 3.43Å; T37-H41 PolarHBondContact O-N 3.48Å |
| 38 | A | 88.7 | Confident | 87 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W28 Q32 D34 F35 Y36 H42 | W28-A38 HydrophobicContact CH2-CB 3.95Å; W28-A38 HydrophobicContact CZ3-CB 4.08Å; Q32-A38 HydrophobicContact CB-CB 3.99Å; Q32-A38 HydrophobicContact CG-CB 3.65Å; D34-A38 PolarHBondContact O-N 2.96Å; F35-A38 PolarHBondContact O-N 2.68Å; Y36-A38 VanDerWaalsContact C-N 3.32Å; Y36-A38 PolarHBondContact O-N 2.68Å; A38-H42 PolarHBondContact O-N 2.9Å |
| 39 | F | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.2 | -49.4 | 175 | 179 | -119.1 | 0 | 0 | 0 | 111 | W29 F35 Y36 T37 H41 H42 L43 L74 V197 L317 | W29-F39 HydrophobicContact CZ2-CD2 4.21Å; F35-F39 HydrophobicContact CE1-CB 4.23Å; F35-F39 HydrophobicContact CE1-CG 4.36Å; F35-F39 HydrophobicContact CE2-CB 4.4Å; F35-F39 HydrophobicContact CZ-CB 4.12Å; F35-F39 HydrophobicContact CZ-CD2 4.17Å; F35-F39 HydrophobicContact CZ-CG 4.2Å; F35-F39 WeakPolarHBondContact O-CB 3.2Å; F35-F39 PolarHBondContact O-N 3.06Å; Y36-F39 WeakPolarHBondContact O-CB 3.41Å; Y36-F39 PolarHBondContact O-N 2.85Å; T37-F39 VanDerWaalsContact C-N 3.35Å; T37-F39 PolarHBondContact O-N 3.48Å; F39-H41 VanDerWaalsContact C-N 3.33Å; F39-H41 PolarHBondContact O-N 2.85Å; F39-H42 WeakPolarHBondContact O-CB 3.35Å; F39-H42 PolarHBondContact O-N 3Å; F39-H42 VanDerWaalsContact O-N 3.16Å; F39-L43 HydrophobicContact CD1-CD1 4.12Å; F39-L43 HydrophobicContact CD2-CG 4.36Å; F39-L43 HydrophobicContact CE1-CD1 3.61Å; F39-L43 HydrophobicContact CE1-CG 4.34Å; F39-L43 HydrophobicContact CE2-CD1 4.15Å; F39-L43 HydrophobicContact CE2-CD2 3.98Å; F39-L43 HydrophobicContact CE2-CG 4.07Å; F39-L43 HydrophobicContact CZ-CD1 3.63Å; F39-L43 HydrophobicContact CZ-CD2 4.14Å; F39-L43 HydrophobicContact CZ-CG 4.08Å; F39-L43 WeakPolarHBondContact O-CG 3.42Å; F39-L43 PolarHBondContact O-N 2.91Å; F39-L74 HydrophobicContact CD2-CD2 4.29Å; F39-L74 HydrophobicContact CE2-CD1 4.02Å; F39-L74 HydrophobicContact CE2-CD2 3.91Å; F39-L74 HydrophobicContact CE2-CG 4.38Å; F39-L74 HydrophobicContact CZ-CD1 4.41Å; F39-V197 HydrophobicContact CE1-CG2 4.05Å; F39-V197 HydrophobicContact CZ-CG2 4Å; F39-L317 HydrophobicContact CZ-CD2 4.11Å |
| 40 | L | 91.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.5 | -67.3 | -172.9 | 0 | 0 | 0 | 112 | Y36 T37 H42 L43 A44 Y200 E216 L217 | Y36-L40 HydrophobicContact CD1-CD1 4.2Å; Y36-L40 HydrophobicContact CD2-CG 4.4Å; Y36-L40 HydrophobicContact CE1-CD1 3.63Å; Y36-L40 HydrophobicContact CE1-CG 4.37Å; Y36-L40 HydrophobicContact CE2-CD1 4.15Å; Y36-L40 HydrophobicContact CE2-CD2 4.1Å; Y36-L40 HydrophobicContact CE2-CG 4.11Å; Y36-L40 WeakPolarHBondContact O-CG 3.35Å; Y36-L40 PolarHBondContact O-N 3.24Å; T37-L40 PolarHBondContact O-N 3.06Å; L40-H42 VanDerWaalsContact C-N 3.3Å; L40-H42 PolarHBondContact O-N 3.42Å; L40-L43 PolarHBondContact O-N 2.96Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 3.3Å; L40-Y200 HydrophobicContact CD2-CD2 3.58Å; L40-Y200 HydrophobicContact CD2-CE2 4.42Å; L40-Y200 HydrophobicContact CD2-CG 4.4Å; L40-E216 HydrophobicContact CD1-CB 3.58Å; L40-E216 HydrophobicContact CD1-CG 4.07Å; L40-L217 HydrophobicContact CB-CD2 4.12Å; L40-L217 HydrophobicContact CD2-CD2 4.19Å; L40-L217 WeakPolarHBondContact O-CD2 3.5Å |
| 41 | H | 87.8 | Confident | 87.8 | Confident | 71 Ų | 71 | 42.6 Ų | 42.6 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -38 | 177.8 | -175.7 | -80.3 | 0 | 0 | 0 | 112.6 | T37 F39 Q45 I219 | T37-H41 WeakPolarHBondContact O-CB 3.43Å; T37-H41 PolarHBondContact O-N 3.48Å; F39-H41 VanDerWaalsContact C-N 3.33Å; F39-H41 PolarHBondContact O-N 2.85Å; H41-Q45 PolarHBondContact CE1-NE2 2.99Å; H41-I219 HydrophobicContact CB-CD1 4.1Å; H41-I219 VanDerWaalsContact CD2-CD1 3.48Å; H41-I219 WeakPolarHBondContact CD2-CD1 3.46Å |
| 42 | H | 90.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -44.2 | 174 | -172.7 | 71.4 | 0 | 0 | 0 | 112.1 | L18 L25 W29 A38 F39 L40 Q45 L46 S69 | L18-H42 WeakPolarHBondContact CD2-ND1 3.33Å; L25-H42 WeakPolarHBondContact CD2-CE1 3.44Å; L25-H42 WeakPolarHBondContact CD2-NE2 3.45Å; W29-H42 HydrophobicContact CZ2-CB 4.21Å; W29-H42 AromaticContact CZ2-CD2 3.59Å; W29-H42 AromaticContact CZ2-CG 3.9Å; A38-H42 PolarHBondContact O-N 2.9Å; F39-H42 WeakPolarHBondContact O-CB 3.35Å; F39-H42 PolarHBondContact O-N 3Å; F39-H42 VanDerWaalsContact O-N 3.16Å; L40-H42 VanDerWaalsContact C-N 3.3Å; L40-H42 PolarHBondContact O-N 3.42Å; H42-Q45 PolarHBondContact O-N 3.33Å; H42-L46 VanDerWaalsContact CE1-CD1 3.42Å; H42-L46 WeakPolarHBondContact CE1-CD1 3.3Å; H42-L46 WeakPolarHBondContact NE2-CD1 3.43Å; H42-L46 PolarHBondContact O-N 3.39Å; H42-S69 PolarHBondContact NE2-O 3.46Å; H42-S69 VanDerWaalsContact NE2-O 3.17Å |
| 43 | L | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 178.7 | -67.3 | -171.6 | 0 | 0 | 0 | 112.6 | F39 L40 Q45 L46 V47 I70 Y200 F313 | F39-L43 HydrophobicContact CD1-CD1 4.12Å; F39-L43 HydrophobicContact CD2-CG 4.36Å; F39-L43 HydrophobicContact CE1-CD1 3.61Å; F39-L43 HydrophobicContact CE1-CG 4.34Å; F39-L43 HydrophobicContact CE2-CD1 4.15Å; F39-L43 HydrophobicContact CE2-CD2 3.98Å; F39-L43 HydrophobicContact CE2-CG 4.07Å; F39-L43 HydrophobicContact CZ-CD1 3.63Å; F39-L43 HydrophobicContact CZ-CD2 4.14Å; F39-L43 HydrophobicContact CZ-CG 4.08Å; F39-L43 WeakPolarHBondContact O-CG 3.42Å; F39-L43 PolarHBondContact O-N 2.91Å; L40-L43 PolarHBondContact O-N 2.96Å; L43-Q45 PolarHBondContact O-N 3.02Å; L43-Q45 VanDerWaalsContact O-N 3.12Å; L43-L46 PolarHBondContact O-N 3.21Å; L43-V47 HydrophobicContact CB-CG2 4.08Å; L43-V47 HydrophobicContact CD2-CG2 4Å; L43-V47 VanDerWaalsContact O-CB 3.26Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.46Å; L43-V47 PolarHBondContact O-N 3.12Å; L43-I70 HydrophobicContact CD2-CD1 3.88Å; L43-I70 HydrophobicContact CD2-CG2 4Å; L43-Y200 HydrophobicContact CD1-CD1 4.07Å; L43-Y200 HydrophobicContact CD1-CD2 3.67Å; L43-Y200 HydrophobicContact CD1-CE1 4.01Å; L43-Y200 HydrophobicContact CD1-CE2 3.55Å; L43-Y200 HydrophobicContact CD1-CG 3.93Å; L43-F313 HydrophobicContact CD1-CD1 4.41Å; L43-F313 HydrophobicContact CD1-CE1 3.79Å; L43-F313 HydrophobicContact CD2-CD1 4.29Å; L43-F313 HydrophobicContact CD2-CE1 3.44Å; L43-F313 VanDerWaalsContact CD2-CE1 3.44Å; L43-F313 HydrophobicContact CD2-CZ 3.88Å; L43-F313 HydrophobicContact CG-CE1 4.24Å |
| 44 | A | 89.7 | Confident | 87.2 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58 | -24.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L40 L217 I219 | L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 3.3Å; A44-L217 HydrophobicContact CB-CB 4.38Å; A44-L217 HydrophobicContact CB-CD2 3.88Å; A44-I219 HydrophobicContact CB-CB 4.26Å; A44-I219 HydrophobicContact CB-CD1 3.58Å; A44-I219 HydrophobicContact CB-CG1 3.74Å |
| 45 | Q | 87.1 | Confident | 86.7 | Confident | 51 Ų | 51 | 32 Ų | 32 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -86.7 | -49.1 | 175.6 | -63.3 | -171.3 | 10.7 | 0 | 0 | 112.1 | L18 H41 H42 L43 R220 | L18-Q45 VanDerWaalsContact CD1-OE1 3.26Å; H41-Q45 PolarHBondContact CE1-NE2 2.99Å; H42-Q45 PolarHBondContact O-N 3.33Å; L43-Q45 PolarHBondContact O-N 3.02Å; L43-Q45 VanDerWaalsContact O-N 3.12Å; Q45-R220 VanDerWaalsContact O-CZ 3.25Å; Q45-R220 PolarHBondContact O-NH2 3.46Å |
| 46 | L | 90.3 | Very high | 85.9 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -85.3 | -35.5 | -171.2 | -64.9 | -174.8 | 0 | 0 | 0 | 114.8 | H42 L43 E49 I50 I70 | H42-L46 VanDerWaalsContact CE1-CD1 3.42Å; H42-L46 WeakPolarHBondContact CE1-CD1 3.3Å; H42-L46 WeakPolarHBondContact NE2-CD1 3.43Å; H42-L46 PolarHBondContact O-N 3.39Å; L43-L46 PolarHBondContact O-N 3.21Å; L46-E49 PolarHBondContact O-N 2.95Å; L46-I50 HydrophobicContact CB-CD1 4.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.29Å; L46-I70 HydrophobicContact CB-CD1 4.28Å; L46-I70 HydrophobicContact CD1-CD1 4.49Å; L46-I70 HydrophobicContact CD1-CG1 4.02Å |
| 47 | V | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | -171.3 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | L43 E49 I50 Y51 I70 A309 H310 F313 | L43-V47 HydrophobicContact CB-CG2 4.08Å; L43-V47 HydrophobicContact CD2-CG2 4Å; L43-V47 VanDerWaalsContact O-CB 3.26Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.46Å; L43-V47 PolarHBondContact O-N 3.12Å; V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 PolarHBondContact O-N 3.12Å; V47-I50 PolarHBondContact O-N 3Å; V47-Y51 HydrophobicContact CG1-CD2 4.13Å; V47-Y51 PolarHBondContact O-N 3.34Å; V47-Y51 VanDerWaalsContact O-N 3.13Å; V47-I70 HydrophobicContact CG2-CD1 4.04Å; V47-A309 HydrophobicContact CG1-CB 4.26Å; V47-H310 HydrophobicContact CG1-CB 4.4Å; V47-F313 HydrophobicContact CG1-CB 3.62Å; V47-F313 HydrophobicContact CG1-CD1 4.34Å; V47-F313 HydrophobicContact CG1-CG 4.12Å; V47-F313 HydrophobicContact CG2-CB 4.2Å; V47-F313 HydrophobicContact CG2-CD1 3.52Å; V47-F313 HydrophobicContact CG2-CD2 4.39Å; V47-F313 HydrophobicContact CG2-CE1 4.04Å; V47-F313 HydrophobicContact CG2-CG 3.75Å |
| 48 | P | 89.2 | Confident | 85.2 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.104 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -30.6 | 171.4 | -27.2 | 37.8 | 0 | 0 | 0 | 114.4 | F52 E306 | P48-F52 WeakPolarHBondContact O-CA 3.27Å; P48-F52 VanDerWaalsContact O-CB 3.26Å; P48-F52 WeakPolarHBondContact O-CB 3.5Å; P48-F52 PolarHBondContact O-N 2.91Å; P48-E306 HydrophobicContact CB-CG 4.14Å; P48-E306 HydrophobicContact CG-CB 4.31Å; P48-E306 HydrophobicContact CG-CG 4.23Å |
| 49 | E | 87.1 | Confident | 85 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 48% | 0.477 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -79.5 | -33.1 | -179.6 | -67.2 | -174.9 | 176.8 | 0 | 0 | 113.2 | L46 V47 F52 R220 | L46-E49 PolarHBondContact O-N 2.95Å; V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 PolarHBondContact O-N 3.12Å; E49-F52 WeakPolarHBondContact O-CD1 3.3Å; E49-R220 IonicContact OE1-CZ 2.75Å; E49-R220 IonicContact OE1-NH1 3.8Å; E49-R220 PolarHBondContact OE1-NH1 3.15Å; E49-R220 IonicContact OE1-NH2 3.34Å; E49-R220 PolarHBondContact OE1-NH2 3.36Å |
| 50 | I | 88.8 | Confident | 84.7 | Confident | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.4 | -45.4 | 177.6 | -64.9 | 165.3 | 0 | 0 | 0 | 110.1 | L46 V47 Q62 V66 I70 | L46-I50 HydrophobicContact CB-CD1 4.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.29Å; V47-I50 PolarHBondContact O-N 3Å; I50-Q62 HydrophobicContact CG2-CB 4.49Å; I50-Q62 PolarHBondContact O-NE2 3.17Å; I50-V66 HydrophobicContact CD1-CB 4.37Å; I50-V66 HydrophobicContact CG2-CB 4.4Å; I50-I70 HydrophobicContact CD1-CD1 4.04Å |
| 51 | Y | 87.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -102.3 | 28.6 | -174.1 | -57.3 | -75.1 | 0 | 0 | 0 | 113.6 | V47 A53 Q62 K312 F313 | V47-Y51 HydrophobicContact CG1-CD2 4.13Å; V47-Y51 PolarHBondContact O-N 3.34Å; V47-Y51 VanDerWaalsContact O-N 3.13Å; Y51-A53 PolarHBondContact O-N 2.88Å; Y51-A53 VanDerWaalsContact O-N 3.13Å; Y51-Q62 HydrophobicContact CD1-CG 4.41Å; Y51-Q62 HydrophobicContact CE1-CB 4.33Å; Y51-K312 HydrophobicContact CD1-CD 3.78Å; Y51-K312 HydrophobicContact CD1-CG 4.21Å; Y51-K312 HydrophobicContact CE1-CD 4.28Å; Y51-K312 HydrophobicContact CE1-CG 4.36Å; Y51-K312 HydrophobicContact CG-CD 4.43Å; Y51-F313 HydrophobicContact CD2-CB 4.15Å; Y51-F313 HydrophobicContact CE2-CB 3.73Å; Y51-F313 AromaticContact CE2-CD2 3.9Å; Y51-F313 HydrophobicContact CE2-CD2 3.9Å; Y51-F313 HydrophobicContact CE2-CG 4.19Å |
| 52 | F | 76.3 | Confident | 84.6 | Confident | 122 Ų | 122 | 53.8 Ų | 53.8 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | trans | -68.1 | -7.9 | -177.6 | 82.3 | -76 | 0 | 0 | 0 | 115.6 | P48 E49 R225 Y227 | P48-F52 WeakPolarHBondContact O-CA 3.27Å; P48-F52 VanDerWaalsContact O-CB 3.26Å; P48-F52 WeakPolarHBondContact O-CB 3.5Å; P48-F52 PolarHBondContact O-N 2.91Å; E49-F52 WeakPolarHBondContact O-CD1 3.3Å; F52-R225 PolarHBondContact O-NH1 3.36Å; F52-Y227 PolarHBondContact O-OH 3.3Å | ||
| 53 | A | 75.7 | Confident | 84.6 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | trans | -131.2 | 63.2 | -166 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y51 M55 D56 P57 | Y51-A53 PolarHBondContact O-N 2.88Å; Y51-A53 VanDerWaalsContact O-N 3.13Å; A53-M55 PolarHBondContact O-N 3.32Å; A53-D56 CarbonylContact O-C 3.53Å; A53-P57 VanDerWaalsContact O-CA 3.31Å; A53-P57 WeakPolarHBondContact O-CA 3.3Å; A53-P57 WeakPolarHBondContact O-CB 3.46Å | ||
| 54 | E | 75.4 | Confident | 84.4 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -76.6 | -18 | -174.3 | -72.3 | -56.7 | 119.9 | 0 | 0 | 115.8 | Y227 M308 K312 | E54-Y227 HydrophobicContact CB-CE1 4.23Å; E54-Y227 HydrophobicContact CB-CE2 4.15Å; E54-Y227 HydrophobicContact CG-CE2 4.28Å; E54-Y227 PolarHBondContact N-OH 2.91Å; E54-M308 HydrophobicContact CB-CE 4.02Å; E54-M308 HydrophobicContact CB-SD 4.21Å; E54-M308 HydrophobicContact CG-CE 4.07Å; E54-M308 HydrophobicContact CG-CG 4.25Å; E54-M308 HydrophobicContact CG-SD 4.13Å; E54-K312 VanDerWaalsContact OE1-CD 3.22Å; E54-K312 WeakPolarHBondContact OE1-CD 3.42Å; E54-K312 WeakPolarHBondContact OE1-CE 3.38Å; E54-K312 IonicContact OE1-NZ 3.87Å; E54-K312 PolarHBondContact OE1-NZ 3.22Å; E54-K312 VanDerWaalsContact OE2-CD 3.26Å; E54-K312 WeakPolarHBondContact OE2-CD 3.39Å; E54-K312 IonicContact OE2-NZ 3.35Å; E54-K312 PolarHBondContact OE2-NZ 3.01Å | ||
| 55 | M | 74 | Confident | 84.4 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -72.8 | -38.4 | 177.3 | -71.7 | -63.8 | -57.7 | 0 | 0 | 112.5 | A53 Y227 A270 A273 | A53-M55 PolarHBondContact O-N 3.32Å; M55-Y227 HydrophobicContact CG-CD1 4.49Å; M55-Y227 HydrophobicContact CG-CE1 4.21Å; M55-A270 HydrophobicContact SD-CB 3.86Å; M55-A270 VanDerWaalsContact SD-O 3.41Å; M55-A273 HydrophobicContact CG-CB 3.76Å; M55-A273 HydrophobicContact SD-CB 4.4Å |
| 56 | D | 72.5 | Confident | 84.6 | Confident | 145 Ų | 145 | 62.8 Ų | 62.8 | 78% | 0.775 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -142.4 | 77.4 | -178.6 | -171.4 | 22.3 | 0 | 0 | 0 | 109.2 | A53 | A53-D56 CarbonylContact O-C 3.53Š|
| 57 | P | 78.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | trans | -82 | 124.6 | -173.9 | 30.5 | -33.2 | 0 | 0 | 0 | 112 | A53 L59 | A53-P57 VanDerWaalsContact O-CA 3.31Å; A53-P57 WeakPolarHBondContact O-CA 3.3Å; A53-P57 WeakPolarHBondContact O-CB 3.46Å; P57-L59 VanDerWaalsContact C-N 3.31Å; P57-L59 HydrophobicContact CB-CD2 4.11Å; P57-L59 HydrophobicContact CG-CD2 4.05Å; P57-L59 HydrophobicContact CG-CG 4.43Å; P57-L59 PolarHBondContact O-N 2.9Å | ||
| 58 | D | 83.7 | Confident | 84.5 | Confident | 91 Ų | 91 | 69.1 Ų | 69.1 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | trans | -70.7 | 87.7 | 162.7 | -177.6 | -13.3 | 0 | 0 | 0 | 109.1 | E60 K61 Q62 | D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 3.04Å; D58-K61 HydrophobicContact CB-CB 4.09Å; D58-K61 PolarHBondContact O-N 3.37Å; D58-K61 WeakPolarHBondContact OD1-CB 3.39Å; D58-K61 PolarHBondContact OD1-N 2.88Å; D58-K61 VanDerWaalsContact OD1-N 3.1Å; D58-K61 VanDerWaalsContact OD2-CB 3.24Å; D58-K61 WeakPolarHBondContact OD2-CB 3.5Å; D58-K61 WeakPolarHBondContact OD2-CD 3.44Å; D58-Q62 WeakPolarHBondContact O-CB 3.12Å; D58-Q62 WeakPolarHBondContact O-CG 3.36Å; D58-Q62 PolarHBondContact O-N 3.47Å | ||
| 59 | L | 84.6 | Confident | 84.5 | Confident | 114 Ų | 114 | 70.4 Ų | 70.4 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.9 | -36.2 | -172.6 | -66.7 | 175.1 | 0 | 0 | 0 | 113 | P57 E63 | P57-L59 VanDerWaalsContact C-N 3.31Å; P57-L59 HydrophobicContact CB-CD2 4.11Å; P57-L59 HydrophobicContact CG-CD2 4.05Å; P57-L59 HydrophobicContact CG-CG 4.43Å; P57-L59 PolarHBondContact O-N 2.9Å; L59-E63 WeakPolarHBondContact O-CB 3.34Å; L59-E63 PolarHBondContact O-N 2.83Å |
| 60 | E | 86.1 | Confident | 84.7 | Confident | 160 Ų | 160 | 65.5 Ų | 65.5 | 75% | 0.748 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -48.5 | 178.6 | -66.9 | -174.6 | 167.5 | 0 | 0 | 110 | D58 Q62 E63 E64 | D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 3.04Å; E60-Q62 PolarHBondContact O-N 3.32Å; E60-E63 PolarHBondContact O-N 3.21Å; E60-E64 PolarHBondContact O-N 3Å |
| 61 | K | 87.4 | Confident | 85 | Confident | 122 Ų | 122 | 65 Ų | 65 | 53% | 0.53 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 177 | -174 | -179.2 | 176.1 | -174.8 | 0 | 113.2 | D58 E63 S65 | D58-K61 HydrophobicContact CB-CB 4.09Å; D58-K61 PolarHBondContact O-N 3.37Å; D58-K61 WeakPolarHBondContact OD1-CB 3.39Å; D58-K61 PolarHBondContact OD1-N 2.88Å; D58-K61 VanDerWaalsContact OD1-N 3.1Å; D58-K61 VanDerWaalsContact OD2-CB 3.24Å; D58-K61 WeakPolarHBondContact OD2-CB 3.5Å; D58-K61 WeakPolarHBondContact OD2-CD 3.44Å; K61-E63 VanDerWaalsContact C-N 3.32Å; K61-S65 VanDerWaalsContact O-CB 3.23Å; K61-S65 WeakPolarHBondContact O-CB 3.3Å; K61-S65 PolarHBondContact O-N 3.48Å; K61-S65 PolarHBondContact O-OG 3.15Å |
| 62 | Q | 88.6 | Confident | 85.1 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 173.4 | -78.6 | -173.4 | -9.6 | 0 | 0 | 110.8 | I50 Y51 D58 E60 S65 V66 | I50-Q62 HydrophobicContact CG2-CB 4.49Å; I50-Q62 PolarHBondContact O-NE2 3.17Å; Y51-Q62 HydrophobicContact CD1-CG 4.41Å; Y51-Q62 HydrophobicContact CE1-CB 4.33Å; D58-Q62 WeakPolarHBondContact O-CB 3.12Å; D58-Q62 WeakPolarHBondContact O-CG 3.36Å; D58-Q62 PolarHBondContact O-N 3.47Å; E60-Q62 PolarHBondContact O-N 3.32Å; Q62-S65 PolarHBondContact O-N 3.18Å; Q62-V66 WeakPolarHBondContact O-CG1 3.46Å; Q62-V66 PolarHBondContact O-N 2.61Å |
| 63 | E | 88.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 33% | 0.327 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -45 | 179.7 | -167.3 | 67.7 | -177.8 | 0 | 0 | 112.3 | L59 E60 K61 S65 V66 Q67 R316 | L59-E63 WeakPolarHBondContact O-CB 3.34Å; L59-E63 PolarHBondContact O-N 2.83Å; E60-E63 PolarHBondContact O-N 3.21Å; K61-E63 VanDerWaalsContact C-N 3.32Å; E63-S65 VanDerWaalsContact C-N 3.32Å; E63-S65 PolarHBondContact O-N 3.2Å; E63-V66 WeakPolarHBondContact O-CG1 3.48Å; E63-Q67 VanDerWaalsContact O-CB 3.23Å; E63-Q67 WeakPolarHBondContact O-CB 3.42Å; E63-Q67 PolarHBondContact O-N 3.37Å; E63-R316 IonicContact OE1-CZ 3.92Å; E63-R316 IonicContact OE1-NH2 3.08Å; E63-R316 PolarHBondContact OE1-NH2 3.47Å; E63-R316 IonicContact OE2-CZ 3.31Å; E63-R316 IonicContact OE2-NE 3.2Å; E63-R316 PolarHBondContact OE2-NE 3.29Å; E63-R316 IonicContact OE2-NH2 3.88Å; E63-R316 PolarHBondContact OE2-NH2 2.99Å |
| 64 | E | 88.9 | Confident | 86.6 | Confident | 138 Ų | 138 | 59.1 Ų | 59.1 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.1 | -43.3 | 173.4 | -72.1 | -172.5 | 163.3 | 0 | 0 | 111.7 | E60 M68 | E60-E64 PolarHBondContact O-N 3Å; E64-M68 WeakPolarHBondContact O-CB 3.4Å; E64-M68 WeakPolarHBondContact O-CG 3.12Å; E64-M68 PolarHBondContact O-N 3.23Å |
| 65 | S | 89.7 | Confident | 87.4 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | -177.9 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | K61 Q62 E63 S69 | K61-S65 VanDerWaalsContact O-CB 3.23Å; K61-S65 WeakPolarHBondContact O-CB 3.3Å; K61-S65 PolarHBondContact O-N 3.48Å; K61-S65 PolarHBondContact O-OG 3.15Å; Q62-S65 PolarHBondContact O-N 3.18Å; E63-S65 VanDerWaalsContact C-N 3.32Å; E63-S65 PolarHBondContact O-N 3.2Å; S65-S69 WeakPolarHBondContact O-CB 3.23Å; S65-S69 PolarHBondContact O-N 3.15Å; S65-S69 PolarHBondContact O-OG 2.91Å |
| 66 | V | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.8 | -37.9 | 177.8 | 72.2 | 0 | 0 | 0 | 0 | 112 | I50 Q62 E63 I70 F71 F313 | I50-V66 HydrophobicContact CD1-CB 4.37Å; I50-V66 HydrophobicContact CG2-CB 4.4Å; Q62-V66 WeakPolarHBondContact O-CG1 3.46Å; Q62-V66 PolarHBondContact O-N 2.61Å; E63-V66 WeakPolarHBondContact O-CG1 3.48Å; V66-I70 HydrophobicContact CG2-CB 4.38Å; V66-I70 HydrophobicContact CG2-CD1 4.26Å; V66-I70 PolarHBondContact O-N 3.3Å; V66-F71 HydrophobicContact CB-CE2 4.4Å; V66-F71 HydrophobicContact CG1-CD2 4.18Å; V66-F71 HydrophobicContact CG1-CE2 3.73Å; V66-F71 HydrophobicContact CG1-CZ 4.46Å; V66-F71 HydrophobicContact CG2-CD2 4.27Å; V66-F71 HydrophobicContact CG2-CE1 4.34Å; V66-F71 HydrophobicContact CG2-CE2 3.82Å; V66-F71 HydrophobicContact CG2-CZ 3.85Å; V66-F71 PolarHBondContact O-N 2.71Å; V66-F313 HydrophobicContact CG2-CD2 3.84Å; V66-F313 HydrophobicContact CG2-CE2 3.51Å |
| 67 | Q | 91.4 | Very high | 88.9 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -62.9 | -50 | 176.2 | -177.2 | 62.9 | 54 | 0 | 0 | 110.4 | E63 T72 | E63-Q67 VanDerWaalsContact O-CB 3.23Å; E63-Q67 WeakPolarHBondContact O-CB 3.42Å; E63-Q67 PolarHBondContact O-N 3.37Å; Q67-T72 PolarHBondContact NE2-OG1 3.02Å; Q67-T72 VanDerWaalsContact O-CB 3.25Å; Q67-T72 WeakPolarHBondContact O-CB 3.45Å; Q67-T72 PolarHBondContact O-N 3.13Å; Q67-T72 PolarHBondContact O-OG1 3.4Å |
| 68 | M | 88.9 | Confident | 89.5 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 56% | 0.562 | 25% | 0.248 | S | C | * | . | I | π-helix | trans | -69.4 | -37.3 | -178.7 | -74.2 | -59.9 | -59.9 | 0 | 0 | 114.1 | E64 P73 | E64-M68 WeakPolarHBondContact O-CB 3.4Å; E64-M68 WeakPolarHBondContact O-CG 3.12Å; E64-M68 PolarHBondContact O-N 3.23Å; M68-P73 WeakPolarHBondContact O-CD 3.49Å |
| 69 | S | 88.8 | Confident | 89.7 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 30% | 0.301 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -98.3 | -15.5 | -167.9 | -40.9 | 0 | 0 | 0 | 0 | 114.4 | H42 S65 | H42-S69 PolarHBondContact NE2-O 3.46Å; H42-S69 VanDerWaalsContact NE2-O 3.17Å; S65-S69 WeakPolarHBondContact O-CB 3.23Å; S65-S69 PolarHBondContact O-N 3.15Å; S65-S69 PolarHBondContact O-OG 2.91Å |
| 70 | I | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -133.8 | -57.3 | -177.3 | -50.5 | -178.8 | 0 | 0 | 0 | 112.1 | L43 L46 V47 I50 V66 P73 L74 F313 | L43-I70 HydrophobicContact CD2-CD1 3.88Å; L43-I70 HydrophobicContact CD2-CG2 4Å; L46-I70 HydrophobicContact CB-CD1 4.28Å; L46-I70 HydrophobicContact CD1-CD1 4.49Å; L46-I70 HydrophobicContact CD1-CG1 4.02Å; V47-I70 HydrophobicContact CG2-CD1 4.04Å; I50-I70 HydrophobicContact CD1-CD1 4.04Å; V66-I70 HydrophobicContact CG2-CB 4.38Å; V66-I70 HydrophobicContact CG2-CD1 4.26Å; V66-I70 PolarHBondContact O-N 3.3Å; I70-P73 WeakPolarHBondContact O-CD 3.02Å; I70-L74 HydrophobicContact CG2-CD1 4.01Å; I70-L74 WeakPolarHBondContact O-CB 3.22Å; I70-L74 WeakPolarHBondContact O-CG 3.48Å; I70-L74 PolarHBondContact O-N 3.44Å; I70-F313 HydrophobicContact CD1-CE2 4Å; I70-F313 HydrophobicContact CD1-CZ 4.01Å; I70-F313 HydrophobicContact CG2-CE2 4.34Å; I70-F313 HydrophobicContact CG2-CZ 3.81Å |
| 71 | F | 93.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -69.6 | -47.4 | -173.8 | -59.7 | -37 | 0 | 0 | 0 | 113.4 | V66 L74 E75 F313 R316 L317 W320 | V66-F71 HydrophobicContact CB-CE2 4.4Å; V66-F71 HydrophobicContact CG1-CD2 4.18Å; V66-F71 HydrophobicContact CG1-CE2 3.73Å; V66-F71 HydrophobicContact CG1-CZ 4.46Å; V66-F71 HydrophobicContact CG2-CD2 4.27Å; V66-F71 HydrophobicContact CG2-CE1 4.34Å; V66-F71 HydrophobicContact CG2-CE2 3.82Å; V66-F71 HydrophobicContact CG2-CZ 3.85Å; V66-F71 PolarHBondContact O-N 2.71Å; F71-L74 WeakPolarHBondContact O-CB 3.42Å; F71-L74 PolarHBondContact O-N 2.98Å; F71-L74 VanDerWaalsContact O-N 3.11Å; F71-E75 WeakPolarHBondContact O-CB 3.32Å; F71-E75 WeakPolarHBondContact O-CG 3.46Å; F71-E75 PolarHBondContact O-N 3.14Å; F71-F313 AromaticContact CE1-CE2 3.9Å; F71-F313 HydrophobicContact CE1-CE2 3.9Å; F71-F313 HydrophobicContact CE1-CZ 4.29Å; F71-F313 HydrophobicContact CZ-CE2 4.07Å; F71-R316 HydrophobicContact CZ-CB 4.17Å; F71-L317 HydrophobicContact CD1-CD1 4.38Å; F71-L317 HydrophobicContact CE1-CB 4.47Å; F71-L317 HydrophobicContact CE1-CD1 3.85Å; F71-W320 HydrophobicContact CD1-CB 3.97Å; F71-W320 AromaticContact CD1-CD1 3.74Å; F71-W320 HydrophobicContact CD1-CD2 4.11Å; F71-W320 AromaticContact CD1-CG 3.67Å; F71-W320 HydrophobicContact CD1-CG 3.67Å; F71-W320 HydrophobicContact CE1-CB 3.71Å; F71-W320 AromaticContact CE1-CG 3.93Å; F71-W320 HydrophobicContact CE1-CG 3.93Å; F71-W320 HydrophobicContact CE2-CB 4.42Å; F71-W320 HydrophobicContact CG-CB 4.46Å; F71-W320 AromaticContact CG-CD1 3.69Å; F71-W320 HydrophobicContact CG-CG 4.07Å; F71-W320 HydrophobicContact CZ-CB 3.95Å |
| 72 | T | 90.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.3 | P22 Q67 L74 E75 W76 | P22-T72 HydrophobicContact CB-CG2 3.99Å; P22-T72 HydrophobicContact CG-CG2 4.18Å; Q67-T72 PolarHBondContact NE2-OG1 3.02Å; Q67-T72 VanDerWaalsContact O-CB 3.25Å; Q67-T72 WeakPolarHBondContact O-CB 3.45Å; Q67-T72 PolarHBondContact O-N 3.13Å; Q67-T72 PolarHBondContact O-OG1 3.4Å; T72-L74 PolarHBondContact O-N 3.47Å; T72-E75 PolarHBondContact O-N 3.24Å; T72-W76 VanDerWaalsContact O-CD1 3.25Å; T72-W76 PolarHBondContact O-N 3.39Å |
| 73 | P | 91.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.8 | -42 | 170 | -25.4 | 30.7 | 0 | 0 | 0 | 114.8 | P22 L25 W29 M68 I70 W76 Y77 | P22-P73 HydrophobicContact CB-CB 4.47Å; P22-P73 HydrophobicContact CB-CG 3.9Å; P22-P73 HydrophobicContact CG-CG 4.38Å; L25-P73 HydrophobicContact CB-CB 4.42Å; L25-P73 HydrophobicContact CD2-CB 3.76Å; L25-P73 HydrophobicContact CD2-CG 3.89Å; L25-P73 HydrophobicContact CG-CB 4.35Å; W29-P73 HydrophobicContact CH2-CB 3.98Å; W29-P73 HydrophobicContact CZ3-CB 3.65Å; M68-P73 WeakPolarHBondContact O-CD 3.49Å; I70-P73 WeakPolarHBondContact O-CD 3.02Å; P73-W76 PolarHBondContact O-N 3.41Å; P73-Y77 PolarHBondContact O-N 3.43Å |
| 74 | L | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.7 | -77.4 | 171.5 | 0 | 0 | 0 | 111.6 | W29 F35 F39 I70 F71 T72 Y77 L78 I193 L317 W320 | W29-L74 HydrophobicContact CH2-CD2 4.09Å; W29-L74 HydrophobicContact CH2-CG 4.15Å; W29-L74 HydrophobicContact CZ3-CD2 3.87Å; W29-L74 HydrophobicContact CZ3-CG 4.05Å; F35-L74 HydrophobicContact CZ-CD2 4.02Å; F39-L74 HydrophobicContact CD2-CD2 4.29Å; F39-L74 HydrophobicContact CE2-CD1 4.02Å; F39-L74 HydrophobicContact CE2-CD2 3.91Å; F39-L74 HydrophobicContact CE2-CG 4.38Å; F39-L74 HydrophobicContact CZ-CD1 4.41Å; I70-L74 HydrophobicContact CG2-CD1 4.01Å; I70-L74 WeakPolarHBondContact O-CB 3.22Å; I70-L74 WeakPolarHBondContact O-CG 3.48Å; I70-L74 PolarHBondContact O-N 3.44Å; F71-L74 WeakPolarHBondContact O-CB 3.42Å; F71-L74 PolarHBondContact O-N 2.98Å; F71-L74 VanDerWaalsContact O-N 3.11Å; T72-L74 PolarHBondContact O-N 3.47Å; L74-Y77 PolarHBondContact O-N 2.94Å; L74-L78 VanDerWaalsContact O-CB 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 2.83Å; L74-I193 HydrophobicContact CD2-CG2 4.41Å; L74-L317 HydrophobicContact CD1-CD1 4.2Å; L74-W320 HydrophobicContact CB-CH2 4.03Å; L74-W320 HydrophobicContact CB-CZ2 3.89Å; L74-W320 HydrophobicContact CD1-CH2 4.26Å; L74-W320 HydrophobicContact CD1-CZ3 4.4Å |
| 75 | E | 92 | Very high | 88.7 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.8 | -72 | 170.8 | 174.2 | 0 | 0 | 110.8 | F71 T72 Y77 L78 F79 P83 W320 K323 I324 | F71-E75 WeakPolarHBondContact O-CB 3.32Å; F71-E75 WeakPolarHBondContact O-CG 3.46Å; F71-E75 PolarHBondContact O-N 3.14Å; T72-E75 PolarHBondContact O-N 3.24Å; E75-Y77 VanDerWaalsContact C-N 3.34Å; E75-Y77 PolarHBondContact O-N 3.49Å; E75-L78 PolarHBondContact O-N 3.32Å; E75-F79 HydrophobicContact CB-CD2 4.09Å; E75-F79 HydrophobicContact CB-CE2 3.89Å; E75-F79 HydrophobicContact CG-CE2 4.15Å; E75-F79 WeakPolarHBondContact O-CB 3.24Å; E75-F79 WeakPolarHBondContact O-CD2 3.48Å; E75-F79 WeakPolarHBondContact O-CG 3.34Å; E75-F79 PolarHBondContact O-N 2.95Å; E75-P83 HydrophobicContact CB-CB 4.02Å; E75-P83 HydrophobicContact CB-CG 3.81Å; E75-W320 HydrophobicContact CG-CZ2 3.98Å; E75-W320 PolarHBondContact OE1-NE1 3.04Å; E75-K323 IonicContact OE1-NZ 3.05Å; E75-K323 PolarHBondContact OE1-NZ 3.36Å; E75-I324 HydrophobicContact CG-CD1 4.3Å |
| 76 | W | 90.3 | Very high | 88.3 | Confident | 46 Ų | 46 | 35 Ų | 35 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 172.5 | -86.7 | 94.8 | 0 | 0 | 0 | 112.7 | Q23 A26 T72 P73 G80 E81 D82 P83 | Q23-W76 HydrophobicContact CG-CD2 3.67Å; Q23-W76 HydrophobicContact CG-CE3 3.72Å; Q23-W76 HydrophobicContact CG-CG 4.38Å; Q23-W76 HydrophobicContact CG-CH2 3.96Å; Q23-W76 HydrophobicContact CG-CZ2 3.89Å; Q23-W76 HydrophobicContact CG-CZ3 3.85Å; A26-W76 HydrophobicContact CB-CB 3.8Å; T72-W76 VanDerWaalsContact O-CD1 3.25Å; T72-W76 PolarHBondContact O-N 3.39Å; P73-W76 PolarHBondContact O-N 3.41Å; W76-G80 WeakPolarHBondContact O-CA 3.46Å; W76-G80 PolarHBondContact O-N 3.47Å; W76-E81 VanDerWaalsContact CZ3-C 3.42Å; W76-D82 HydrophobicContact CH2-CB 3.6Å; W76-D82 HydrophobicContact CZ2-CB 3.99Å; W76-D82 WeakPolarHBondContact CZ2-OD2 3.22Å; W76-D82 HydrophobicContact CZ3-CB 4.33Å; W76-P83 HydrophobicContact CD2-CG 4.34Å; W76-P83 HydrophobicContact CG-CG 4.06Å |
| 77 | Y | 89.5 | Confident | 87.7 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -35.4 | 177.9 | -177.2 | -133.9 | 0 | 0 | 0 | 112.6 | W29 D30 F35 P73 L74 E75 I193 | W29-Y77 HydrophobicContact CB-CD1 4.27Å; W29-Y77 HydrophobicContact CB-CE1 4.26Å; W29-Y77 HydrophobicContact CB-CG 4.43Å; W29-Y77 HydrophobicContact CE3-CD1 4.34Å; W29-Y77 HydrophobicContact CE3-CG 4.49Å; D30-Y77 HydrophobicContact CB-CD2 4.18Å; D30-Y77 HydrophobicContact CB-CE2 3.59Å; F35-Y77 HydrophobicContact CD2-CD1 4.18Å; F35-Y77 AromaticContact CD2-CE1 3.42Å; F35-Y77 HydrophobicContact CD2-CE1 3.42Å; F35-Y77 VanDerWaalsContact CD2-CE1 3.42Å; F35-Y77 AromaticContact CE2-CD1 3.62Å; F35-Y77 HydrophobicContact CE2-CD1 3.62Å; F35-Y77 AromaticContact CE2-CE1 3.34Å; F35-Y77 HydrophobicContact CE2-CE1 3.34Å; F35-Y77 HydrophobicContact CG-CE1 4.09Å; F35-Y77 HydrophobicContact CZ-CD1 4.1Å; F35-Y77 AromaticContact CZ-CE1 3.95Å; F35-Y77 HydrophobicContact CZ-CE1 3.95Å; P73-Y77 PolarHBondContact O-N 3.43Å; L74-Y77 PolarHBondContact O-N 2.94Å; E75-Y77 VanDerWaalsContact C-N 3.34Å; E75-Y77 PolarHBondContact O-N 3.49Å; Y77-I193 HydrophobicContact CD1-CD1 3.44Å; Y77-I193 VanDerWaalsContact CD1-CD1 3.44Å; Y77-I193 HydrophobicContact CD1-CG1 3.61Å; Y77-I193 HydrophobicContact CE1-CD1 3.84Å; Y77-I193 HydrophobicContact CE1-CG1 3.56Å; Y77-I193 HydrophobicContact CG-CD1 4.12Å |
| 78 | L | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -45.5 | 176.9 | 179.5 | 64.8 | 0 | 0 | 0 | 112.4 | L74 E75 A190 I193 F194 I324 F331 | L74-L78 VanDerWaalsContact O-CB 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 2.83Å; E75-L78 PolarHBondContact O-N 3.32Å; L78-A190 HydrophobicContact CD1-CB 3.72Å; L78-I193 HydrophobicContact CB-CD1 3.86Å; L78-I193 HydrophobicContact CD1-CD1 3.99Å; L78-F194 HydrophobicContact CD1-CE1 4.01Å; L78-F194 HydrophobicContact CD2-CE1 4.47Å; L78-I324 HydrophobicContact CD2-CD1 4.2Å; L78-I324 HydrophobicContact CD2-CG2 3.91Å; L78-F331 HydrophobicContact CD1-CE1 4.02Å; L78-F331 HydrophobicContact CD2-CE1 4.23Å; L78-F331 HydrophobicContact CD2-CZ 4.21Å; L78-F331 HydrophobicContact CG-CE1 4.35Å; L78-F331 HydrophobicContact CG-CZ 4.47Å |
| 79 | F | 88.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -89.3 | -25.6 | -173.3 | -60.6 | -51.2 | 0 | 0 | 0 | 113.6 | E75 E81 P83 C86 L87 L90 V186 I324 F331 | E75-F79 HydrophobicContact CB-CD2 4.09Å; E75-F79 HydrophobicContact CB-CE2 3.89Å; E75-F79 HydrophobicContact CG-CE2 4.15Å; E75-F79 WeakPolarHBondContact O-CB 3.24Å; E75-F79 WeakPolarHBondContact O-CD2 3.48Å; E75-F79 WeakPolarHBondContact O-CG 3.34Å; E75-F79 PolarHBondContact O-N 2.95Å; F79-E81 PolarHBondContact O-N 3.2Å; F79-P83 HydrophobicContact CD2-CB 3.92Å; F79-P83 HydrophobicContact CD2-CG 4.24Å; F79-P83 HydrophobicContact CE2-CB 4.16Å; F79-C86 HydrophobicContact CB-CB 3.92Å; F79-C86 HydrophobicContact CD1-CB 4.06Å; F79-C86 VanDerWaalsContact CD1-SG 3.55Å; F79-C86 HydrophobicContact CD2-CB 4.29Å; F79-C86 HydrophobicContact CG-CB 3.84Å; F79-L87 HydrophobicContact CE1-CD2 4.46Å; F79-L87 HydrophobicContact CE2-CD2 4.15Å; F79-L87 HydrophobicContact CE2-CG 4.15Å; F79-L87 HydrophobicContact CZ-CD2 3.68Å; F79-L87 HydrophobicContact CZ-CG 4.16Å; F79-L90 HydrophobicContact CE1-CD1 4.14Å; F79-V186 HydrophobicContact CD1-CG1 4.44Å; F79-I324 HydrophobicContact CZ-CD1 4.26Å; F79-F331 HydrophobicContact CE1-CE2 4.34Å; F79-F331 AromaticContact CE1-CZ 3.98Å; F79-F331 HydrophobicContact CE1-CZ 3.98Å |
| 80 | G | 84 | Confident | 85.7 | Confident | 70 Ų | 70 | 38 Ų | 38 | 72% | 0.722 | 20% | 0.204 | S | C | * | . | S | Bend | trans | 70.2 | -7.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | W76 | W76-G80 WeakPolarHBondContact O-CA 3.46Å; W76-G80 PolarHBondContact O-N 3.47Å |
| 81 | E | 83.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -132.6 | -173.2 | 173.2 | 68 | 174.8 | 166 | 0 | 0 | 110 | W76 F79 P83 C86 K89 | W76-E81 VanDerWaalsContact CZ3-C 3.42Å; F79-E81 PolarHBondContact O-N 3.2Å; E81-P83 WeakPolarHBondContact O-CD 3.39Å; E81-C86 HydrophobicContact CG-CB 3.99Å; E81-K89 IonicContact OE1-NZ 2.68Å; E81-K89 PolarHBondContact OE1-NZ 2.83Å; E81-K89 IonicContact OE2-NZ 2.68Å; E81-K89 PolarHBondContact OE2-NZ 3.42Å |
| 82 | D | 84.1 | Confident | 82.8 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | trans | -60.3 | 123.1 | 177.5 | -166.3 | -62.3 | 0 | 0 | 0 | 111.6 | W76 D84 I85 C86 | W76-D82 HydrophobicContact CH2-CB 3.6Å; W76-D82 HydrophobicContact CZ2-CB 3.99Å; W76-D82 WeakPolarHBondContact CZ2-OD2 3.22Å; W76-D82 HydrophobicContact CZ3-CB 4.33Å; D82-D84 VanDerWaalsContact C-N 3.31Å; D82-D84 PolarHBondContact O-N 3.04Å; D82-D84 PolarHBondContact OD1-N 3.3Å; D82-I85 HydrophobicContact CB-CB 4.1Å; D82-I85 HydrophobicContact CB-CD1 3.84Å; D82-I85 HydrophobicContact CB-CG1 3.92Å; D82-I85 PolarHBondContact O-N 3.1Å; D82-C86 PolarHBondContact O-N 2.96Å | ||
| 83 | P | 84.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -40.8 | -178.2 | -29.7 | 36.4 | 0 | 0 | 0 | 113.9 | E75 W76 F79 E81 I85 C86 L87 | E75-P83 HydrophobicContact CB-CB 4.02Å; E75-P83 HydrophobicContact CB-CG 3.81Å; W76-P83 HydrophobicContact CD2-CG 4.34Å; W76-P83 HydrophobicContact CG-CG 4.06Å; F79-P83 HydrophobicContact CD2-CB 3.92Å; F79-P83 HydrophobicContact CD2-CG 4.24Å; F79-P83 HydrophobicContact CE2-CB 4.16Å; E81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-I85 VanDerWaalsContact C-N 3.34Å; P83-I85 PolarHBondContact O-N 2.88Å; P83-C86 PolarHBondContact O-N 3.38Å; P83-L87 VanDerWaalsContact O-CB 3.23Å; P83-L87 WeakPolarHBondContact O-CB 3.39Å; P83-L87 WeakPolarHBondContact O-CG 3.42Å; P83-L87 PolarHBondContact O-N 2.94Å |
| 84 | D | 84.6 | Confident | 79.4 | Confident | 121 Ų | 121 | 55.4 Ų | 55.4 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67 | -40.9 | -178 | -75.1 | -38.2 | 0 | 0 | 0 | 110.7 | D82 L87 E88 | D82-D84 VanDerWaalsContact C-N 3.31Å; D82-D84 PolarHBondContact O-N 3.04Å; D82-D84 PolarHBondContact OD1-N 3.3Å; D84-L87 PolarHBondContact O-N 3.13Å; D84-E88 WeakPolarHBondContact O-CG 3.5Å; D84-E88 PolarHBondContact O-N 3.36Å |
| 85 | I | 82.8 | Confident | 77.6 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.7 | -61.6 | -177.8 | 0 | 0 | 0 | 111 | D82 P83 K89 | D82-I85 HydrophobicContact CB-CB 4.1Å; D82-I85 HydrophobicContact CB-CD1 3.84Å; D82-I85 HydrophobicContact CB-CG1 3.92Å; D82-I85 PolarHBondContact O-N 3.1Å; P83-I85 VanDerWaalsContact C-N 3.34Å; P83-I85 PolarHBondContact O-N 2.88Å; I85-K89 WeakPolarHBondContact O-CG 3.41Å; I85-K89 PolarHBondContact O-N 2.91Å |
| 86 | C | 80.8 | Confident | 76.2 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -44.8 | 179.1 | -158.5 | 0 | 0 | 0 | 0 | 111.6 | F79 E81 D82 P83 E88 K89 L90 | F79-C86 HydrophobicContact CB-CB 3.92Å; F79-C86 HydrophobicContact CD1-CB 4.06Å; F79-C86 VanDerWaalsContact CD1-SG 3.55Å; F79-C86 HydrophobicContact CD2-CB 4.29Å; F79-C86 HydrophobicContact CG-CB 3.84Å; E81-C86 HydrophobicContact CG-CB 3.99Å; D82-C86 PolarHBondContact O-N 2.96Å; P83-C86 PolarHBondContact O-N 3.38Å; C86-E88 VanDerWaalsContact C-N 3.34Å; C86-E88 PolarHBondContact O-N 3.48Å; C86-K89 WeakPolarHBondContact O-CB 3.4Å; C86-K89 PolarHBondContact O-N 3.43Å; C86-K89 VanDerWaalsContact O-N 3.14Å; C86-L90 WeakPolarHBondContact O-CG 3.34Å; C86-L90 PolarHBondContact O-N 3.11Å |
| 87 | L | 80.3 | Confident | 75.4 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -35 | 178.7 | -70.6 | 176.6 | 0 | 0 | 0 | 112.4 | F79 P83 D84 L90 K91 Y327 | F79-L87 HydrophobicContact CE1-CD2 4.46Å; F79-L87 HydrophobicContact CE2-CD2 4.15Å; F79-L87 HydrophobicContact CE2-CG 4.15Å; F79-L87 HydrophobicContact CZ-CD2 3.68Å; F79-L87 HydrophobicContact CZ-CG 4.16Å; P83-L87 VanDerWaalsContact O-CB 3.23Å; P83-L87 WeakPolarHBondContact O-CB 3.39Å; P83-L87 WeakPolarHBondContact O-CG 3.42Å; P83-L87 PolarHBondContact O-N 2.94Å; D84-L87 PolarHBondContact O-N 3.13Å; L87-L90 HydrophobicContact CD2-CD1 4.4Å; L87-L90 PolarHBondContact O-N 3.36Å; L87-K91 WeakPolarHBondContact O-CB 3.31Å; L87-K91 VanDerWaalsContact O-CG 3.24Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.46Å; L87-Y327 HydrophobicContact CD1-CE2 4.48Å; L87-Y327 HydrophobicContact CD2-CD1 4.19Å; L87-Y327 HydrophobicContact CD2-CD2 3.44Å; L87-Y327 VanDerWaalsContact CD2-CD2 3.44Å; L87-Y327 HydrophobicContact CD2-CE1 4.05Å; L87-Y327 HydrophobicContact CD2-CE2 3.27Å; L87-Y327 HydrophobicContact CD2-CG 3.92Å |
| 88 | E | 77.4 | Confident | 75 | Confident | 125 Ų | 125 | 68 Ų | 68 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 170.6 | -78.3 | -162.1 | 159.9 | 0 | 0 | 112.2 | D84 C86 L90 K91 H92 | D84-E88 WeakPolarHBondContact O-CG 3.5Å; D84-E88 PolarHBondContact O-N 3.36Å; C86-E88 VanDerWaalsContact C-N 3.34Å; C86-E88 PolarHBondContact O-N 3.48Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 2.96Å; E88-K91 PolarHBondContact O-N 3.48Å; E88-H92 PolarHBondContact O-N 3.49Å; E88-H92 PolarHBondContact O-ND1 3.3Å |
| 89 | K | 75.8 | Confident | 75 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 175.1 | -66.2 | 167.1 | -169.5 | 170.7 | 0 | 111.5 | E81 I85 C86 H92 | E81-K89 IonicContact OE1-NZ 2.68Å; E81-K89 PolarHBondContact OE1-NZ 2.83Å; E81-K89 IonicContact OE2-NZ 2.68Å; E81-K89 PolarHBondContact OE2-NZ 3.42Å; I85-K89 WeakPolarHBondContact O-CG 3.41Å; I85-K89 PolarHBondContact O-N 2.91Å; C86-K89 WeakPolarHBondContact O-CB 3.4Å; C86-K89 PolarHBondContact O-N 3.43Å; C86-K89 VanDerWaalsContact O-N 3.14Å; K89-H92 PolarHBondContact O-N 3.27Å |
| 90 | L | 73.3 | Confident | 74.6 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 179.6 | -65.8 | 172.7 | 0 | 0 | 0 | 112.4 | F79 C86 L87 E88 H92 S93 L182 F331 | F79-L90 HydrophobicContact CE1-CD1 4.14Å; C86-L90 WeakPolarHBondContact O-CG 3.34Å; C86-L90 PolarHBondContact O-N 3.11Å; L87-L90 HydrophobicContact CD2-CD1 4.4Å; L87-L90 PolarHBondContact O-N 3.36Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 2.96Å; L90-H92 PolarHBondContact O-N 3.47Å; L90-H92 VanDerWaalsContact O-N 3.13Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 2.9Å; L90-S93 PolarHBondContact O-OG 3.31Å; L90-L182 HydrophobicContact CD1-CD2 4.41Å; L90-L182 HydrophobicContact CD2-CD2 3.48Å; L90-L182 VanDerWaalsContact CD2-CD2 3.48Å; L90-F331 HydrophobicContact CD1-CE2 4.23Å |
| 91 | K | 67.3 | Low | 74.7 | Confident | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.3 | -27.8 | 178.5 | -76.5 | 167.3 | -174.4 | 167.8 | 0 | 113.8 | L87 E88 | L87-K91 WeakPolarHBondContact O-CB 3.31Å; L87-K91 VanDerWaalsContact O-CG 3.24Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.46Å; E88-K91 PolarHBondContact O-N 3.48Å |
| 92 | H | 58.3 | Low | 74.8 | Confident | 162 Ų | 162 | 70.9 Ų | 70.9 | 75% | 0.75 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5 | 178.5 | -69.5 | 85.6 | 0 | 0 | 0 | 114.2 | E88 K89 L90 | E88-H92 PolarHBondContact O-N 3.49Å; E88-H92 PolarHBondContact O-ND1 3.3Å; K89-H92 PolarHBondContact O-N 3.27Å; L90-H92 PolarHBondContact O-N 3.47Å; L90-H92 VanDerWaalsContact O-N 3.13Å |
| 93 | S | 55.2 | Low | 74.9 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -97.2 | -2.1 | -164.9 | 72.3 | 0 | 0 | 0 | 0 | 117.1 | L90 | L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 2.9Å; L90-S93 PolarHBondContact O-OG 3.31Å |
| 94 | G | 53.8 | Low | 74.8 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | trans | -177.7 | 140.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 95 | A | 53.3 | Low | 74.6 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | trans | -84.8 | 131.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A171 | A95-A171 HydrophobicContact CB-CB 4.42Š| ||
| 96 | F | 63.4 | Low | 74.7 | Confident | 95 Ų | 95 | 73 Ų | 73 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | trans | -68.2 | 138.6 | 177.1 | -58 | -72.4 | 0 | 0 | 0 | 110.6 | L98 H166 S326 | F96-L98 WeakPolarHBondContact CB-O 3.49Å; F96-H166 PolarHBondContact O-CD2 3.31Å; F96-S326 WeakPolarHBondContact CZ-O 3.3Å | ||
| 97 | Q | 72.6 | Confident | 75.2 | Confident | 134 Ų | 134 | 74.3 Ų | 74.3 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -80 | -22.5 | 177 | -66.2 | 179 | -3.4 | 0 | 0 | 112.4 | G152 | Q97-G152 VanDerWaalsContact O-CA 3.24Å; Q97-G152 WeakPolarHBondContact O-CA 3.41Å |
| 98 | L | 82.6 | Confident | 75.8 | Confident | 36 Ų | 36 | 76.4 Ų | 76.4 | 19% | 0.188 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -110.2 | 138.8 | 174.3 | -73.6 | 164.4 | 0 | 0 | 0 | 109.5 | F96 C151 G152 D153 M380 | F96-L98 WeakPolarHBondContact CB-O 3.49Å; L98-C151 WeakPolarHBondContact CA-O 3.41Å; L98-G152 VanDerWaalsContact CD2-C 3.41Å; L98-D153 HydrophobicContact CD2-CB 4.06Å; L98-M380 HydrophobicContact CB-CE 4.12Å |
| 99 | C | 88 | Confident | 76.6 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | trans | -71.6 | -45.9 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | R101 C149 C151 | C99-R101 PolarHBondContact O-N 3.05Å; C99-C149 HydrophobicContact CB-CB 4.14Å; C99-C151 HydrophobicContact CB-CB 3.75Å; C99-C151 PolarHBondContact N-O 2.96Å | ||
| 100 | G | 80.5 | Confident | 77.5 | Confident | 15 Ų | 15 | 66 Ų | 66 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | trans | 62.9 | 2.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | V102 | G100-V102 PolarHBondContact O-N 2.91Š| ||
| 101 | R | 86.8 | Confident | 78.5 | Confident | 101 Ų | 101 | 65 Ų | 65 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | trans | -62.7 | 109.5 | -176.3 | 174.5 | 171.9 | 169.4 | 166.4 | -8.5 | 110.8 | C99 E107 D126 F148 C149 | C99-R101 PolarHBondContact O-N 3.05Å; R101-E107 IonicContact CZ-OE1 3.98Å; R101-E107 IonicContact NE-OE1 3.5Å; R101-E107 PolarHBondContact NE-OE1 3.17Å; R101-E107 IonicContact NH2-OE1 2.83Å; R101-E107 PolarHBondContact NH2-OE1 3.49Å; R101-D126 IonicContact CZ-OD2 3.58Å; R101-D126 IonicContact NH1-OD2 2.81Å; R101-D126 PolarHBondContact NH1-OD2 2.8Å; R101-F148 CarbonylContact O-C 3.52Å; R101-F148 WeakPolarHBondContact O-CA 3.33Å; R101-F148 WeakPolarHBondContact O-CB 3.27Å; R101-C149 HydrophobicContact CB-CB 4.23Å; R101-C149 PolarHBondContact O-N 3.18Å | ||
| 102 | V | 84.3 | Confident | 79.7 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 131.8 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 110 | G100 G147 F148 F375 | G100-V102 PolarHBondContact O-N 2.91Å; V102-G147 CarbonylContact C-O 3.56Å; V102-G147 WeakPolarHBondContact CA-O 3.3Å; V102-F148 HydrophobicContact CG2-CB 4.35Å; V102-F375 HydrophobicContact CG1-CD2 4.32Å; V102-F375 HydrophobicContact CG2-CB 3.68Å; V102-F375 HydrophobicContact CG2-CD1 4.41Å; V102-F375 HydrophobicContact CG2-CD2 4.02Å; V102-F375 HydrophobicContact CG2-CG 3.79Å |
| 103 | F | 86.4 | Confident | 81.1 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -84 | 140 | -179.8 | -58.4 | -59.6 | 0 | 0 | 0 | 112.2 | E107 T109 V122 C124 S143 G147 F148 C149 | F103-E107 WeakPolarHBondContact CA-OE2 3.12Å; F103-T109 HydrophobicContact CD1-CG2 3.69Å; F103-T109 HydrophobicContact CD2-CG2 3.79Å; F103-T109 HydrophobicContact CE1-CG2 3.7Å; F103-T109 HydrophobicContact CE2-CG2 3.8Å; F103-T109 HydrophobicContact CG-CG2 3.74Å; F103-T109 HydrophobicContact CZ-CG2 3.75Å; F103-V122 HydrophobicContact CE2-CB 4.24Å; F103-V122 HydrophobicContact CE2-CG2 3.59Å; F103-V122 HydrophobicContact CZ-CB 4.49Å; F103-V122 HydrophobicContact CZ-CG2 4.23Å; F103-C124 HydrophobicContact CE1-CB 3.75Å; F103-C124 HydrophobicContact CZ-CB 4.46Å; F103-S143 WeakPolarHBondContact CB-OG 3.35Å; F103-G147 WeakPolarHBondContact CD2-O 3.44Å; F103-G147 PolarHBondContact N-O 3.12Å; F103-F148 VanDerWaalsContact CE2-O 3.24Å; F103-F148 WeakPolarHBondContact CE2-O 3.33Å; F103-C149 HydrophobicContact CE1-CB 4.4Å; F103-C149 HydrophobicContact CZ-CB 3.95Å |
| 104 | K | 84.1 | Confident | 82.7 | Confident | 166 Ų | 166 | 54.1 Ų | 54.1 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 154.2 | 169.5 | -64.2 | 177.6 | -177 | 175.8 | 0 | 110.6 | G106 E107 S143 | K104-G106 PolarHBondContact O-N 2.99Å; K104-E107 PolarHBondContact N-OE2 2.98Å; K104-E107 WeakPolarHBondContact O-CB 3.48Å; K104-E107 PolarHBondContact O-N 3.23Å; K104-E107 VanDerWaalsContact O-N 3.09Å; K104-S143 WeakPolarHBondContact O-CB 3.3Å |
| 105 | S | 80.5 | Confident | 84.5 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.1 | 169.2 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | E107 S143 | S105-E107 VanDerWaalsContact C-N 3.34Å; S105-S143 WeakPolarHBondContact CA-O 3.34Å |
| 106 | G | 84.8 | Confident | 86.3 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -9.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K104 S143 | K104-G106 PolarHBondContact O-N 2.99Å; G106-S143 PolarHBondContact N-O 3.36Å |
| 107 | E | 89.8 | Confident | 87.4 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | trans | -75.2 | 140 | -179.4 | -169.2 | 170.2 | -172.9 | 0 | 0 | 112.1 | R101 F103 K104 S105 S143 | R101-E107 IonicContact CZ-OE1 3.98Å; R101-E107 IonicContact NE-OE1 3.5Å; R101-E107 PolarHBondContact NE-OE1 3.17Å; R101-E107 IonicContact NH2-OE1 2.83Å; R101-E107 PolarHBondContact NH2-OE1 3.49Å; F103-E107 WeakPolarHBondContact CA-OE2 3.12Å; K104-E107 PolarHBondContact N-OE2 2.98Å; K104-E107 WeakPolarHBondContact O-CB 3.48Å; K104-E107 PolarHBondContact O-N 3.23Å; K104-E107 VanDerWaalsContact O-N 3.09Å; S105-E107 VanDerWaalsContact C-N 3.34Å; E107-S143 VanDerWaalsContact O-CB 3.23Å; E107-S143 WeakPolarHBondContact O-CB 3.45Å; E107-S143 PolarHBondContact O-N 2.92Å | ||
| 108 | T | 93.6 | Very high | 88.1 | Confident | 53 Ų | 53 | 41 Ų | 41 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.6 | -179.8 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | Y110 M140 H141 | T108-Y110 HydrophobicContact CG2-CE2 4.02Å; T108-M140 HydrophobicContact CG2-CB 4.46Å; T108-M140 HydrophobicContact CG2-CE 3.64Å; T108-H141 WeakPolarHBondContact CA-O 3.2Å |
| 109 | T | 94.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 156.1 | 176.9 | 64.8 | 0 | 0 | 0 | 0 | 112 | F103 M140 H141 | F103-T109 HydrophobicContact CD1-CG2 3.69Å; F103-T109 HydrophobicContact CD2-CG2 3.79Å; F103-T109 HydrophobicContact CE1-CG2 3.7Å; F103-T109 HydrophobicContact CE2-CG2 3.8Å; F103-T109 HydrophobicContact CG-CG2 3.74Å; F103-T109 HydrophobicContact CZ-CG2 3.75Å; T109-M140 WeakPolarHBondContact O-CA 3.39Å; T109-H141 PolarHBondContact N-O 3.4Å; T109-H141 PolarHBondContact O-N 2.88Å |
| 110 | Y | 94.8 | Very high | 88.2 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.2 | -172.3 | -64.9 | -95.6 | 0 | 0 | 0 | 111.3 | T108 V122 L123 M125 F128 Y138 M140 | T108-Y110 HydrophobicContact CG2-CE2 4.02Å; Y110-V122 WeakPolarHBondContact O-CA 3.42Å; Y110-L123 PolarHBondContact N-O 3.32Å; Y110-L123 PolarHBondContact O-N 3.23Å; Y110-M125 HydrophobicContact CE2-CB 4.3Å; Y110-M125 HydrophobicContact CE2-CE 4.07Å; Y110-M125 HydrophobicContact CE2-SD 3.89Å; Y110-M125 WeakPolarHBondContact OH-CE 3.46Å; Y110-M125 PolarHBondContact OH-SD 3.35Å; Y110-M125 VanDerWaalsContact OH-SD 3.35Å; Y110-F128 AromaticContact CD1-CD1 3.47Å; Y110-F128 HydrophobicContact CD1-CD1 3.47Å; Y110-F128 VanDerWaalsContact CD1-CD1 3.47Å; Y110-F128 HydrophobicContact CD1-CD2 4.05Å; Y110-F128 AromaticContact CD1-CE1 3.52Å; Y110-F128 HydrophobicContact CD1-CE1 3.52Å; Y110-F128 HydrophobicContact CD1-CE2 4.09Å; Y110-F128 AromaticContact CD1-CG 3.74Å; Y110-F128 HydrophobicContact CD1-CG 3.74Å; Y110-F128 AromaticContact CD1-CZ 3.83Å; Y110-F128 HydrophobicContact CD1-CZ 3.83Å; Y110-F128 HydrophobicContact CD2-CB 4.04Å; Y110-F128 HydrophobicContact CD2-CD1 4.23Å; Y110-F128 HydrophobicContact CD2-CG 4.15Å; Y110-F128 AromaticContact CE1-CD1 3.74Å; Y110-F128 HydrophobicContact CE1-CD1 3.74Å; Y110-F128 AromaticContact CE1-CE1 3.71Å; Y110-F128 HydrophobicContact CE1-CE1 3.71Å; Y110-F128 HydrophobicContact CE1-CG 4.42Å; Y110-F128 HydrophobicContact CE1-CZ 4.38Å; Y110-F128 HydrophobicContact CE2-CD1 4.48Å; Y110-F128 HydrophobicContact CG-CB 3.91Å; Y110-F128 AromaticContact CG-CD1 3.75Å; Y110-F128 HydrophobicContact CG-CD1 3.75Å; Y110-F128 AromaticContact CG-CD2 3.97Å; Y110-F128 HydrophobicContact CG-CD2 3.97Å; Y110-F128 HydrophobicContact CG-CE1 4.25Å; Y110-F128 HydrophobicContact CG-CE2 4.44Å; Y110-F128 AromaticContact CG-CG 3.59Å; Y110-F128 HydrophobicContact CG-CG 3.59Å; Y110-Y138 AromaticContact CD1-CD2 3.97Å; Y110-Y138 HydrophobicContact CD1-CD2 3.97Å; Y110-Y138 HydrophobicContact CD1-CE2 4.02Å; Y110-Y138 HydrophobicContact CE1-CE2 4.18Å; Y110-M140 HydrophobicContact CD1-CG 3.79Å; Y110-M140 HydrophobicContact CE1-CE 4.09Å; Y110-M140 HydrophobicContact CE1-CG 3.53Å; Y110-M140 HydrophobicContact CE1-SD 3.89Å |
| 111 | S | 93.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.1 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | C121 Y138 K139 | S111-C121 VanDerWaalsContact CB-O 3.22Å; S111-C121 WeakPolarHBondContact CB-O 3.24Å; S111-C121 PolarHBondContact OG-O 2.86Å; S111-Y138 CarbonylContact O-C 3.57Å; S111-Y138 WeakPolarHBondContact O-CA 3.46Å; S111-Y138 WeakPolarHBondContact O-CB 3.25Å; S111-K139 PolarHBondContact N-O 3.3Å; S111-K139 PolarHBondContact O-N 2.96Å |
| 112 | C | 92.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116 | 179.7 | -176 | 0 | 0 | 0 | 0 | 110.9 | D114 C115 A116 H133 H136 W157 | C112-D114 VanDerWaalsContact C-N 3.33Å; C112-D114 PolarHBondContact O-N 3.3Å; C112-C115 HydrophobicContact CB-CB 4.27Å; C112-A116 WeakPolarHBondContact O-CB 2.86Å; C112-A116 PolarHBondContact O-N 3.42Å; C112-H133 HydrophobicContact CB-CB 3.89Å; C112-H136 VanDerWaalsContact SG-CB 3.51Å; C112-W157 HydrophobicContact CB-CZ3 3.84Å |
| 113 | R | 87.9 | Confident | 89.6 | Confident | 49 Ų | 49 | 34.5 Ų | 34.5 | 19% | 0.185 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28 | -176.4 | -58.5 | -48.2 | -148 | 137.7 | 22.8 | 113.6 | R137 N795 | R113-R137 HydrophobicContact CB-CB 4.34Å; R113-R137 PolarHBondContact N-O 3.32Å; R113-N795 PolarHBondContact NH1-O 3.03Å |
| 114 | D | 88.2 | Confident | 90 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 35% | 0.353 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -30.1 | -178.5 | -56.2 | -36.2 | 0 | 0 | 0 | 112.4 | C112 H136 R137 | C112-D114 VanDerWaalsContact C-N 3.33Å; C112-D114 PolarHBondContact O-N 3.3Å; D114-H136 HydrophobicContact CB-CB 4.32Å; D114-H136 WeakPolarHBondContact OD2-CB 3.21Å; D114-R137 IonicContact OD1-CZ 3.08Å; D114-R137 IonicContact OD1-NE 3.82Å; D114-R137 PolarHBondContact OD1-NE 3.2Å; D114-R137 IonicContact OD1-NH2 3.25Å; D114-R137 PolarHBondContact OD1-NH2 2.75Å; D114-R137 WeakPolarHBondContact OD2-CB 3.38Å; D114-R137 PolarHBondContact OD2-N 2.75Å; D114-R137 IonicContact OD2-NE 3.02Å |
| 115 | C | 92.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -29.5 | -173 | -66.7 | 0 | 0 | 0 | 0 | 115.5 | C112 H133 H136 W157 K158 T159 | C112-C115 HydrophobicContact CB-CB 4.27Å; C115-H133 VanDerWaalsContact CB-CE1 3.43Å; C115-H133 WeakPolarHBondContact CB-CE1 3.48Å; C115-H133 WeakPolarHBondContact CB-ND1 3.41Å; C115-H136 PolarHBondContact SG-CE1 3.25Å; C115-H136 PolarHBondContact SG-ND1 2.78Å; C115-W157 HydrophobicContact CB-CE3 4.09Å; C115-K158 WeakPolarHBondContact O-CB 3.44Å; C115-K158 WeakPolarHBondContact O-CG 3.46Å; C115-K158 PolarHBondContact O-N 3.22Å; C115-T159 PolarHBondContact SG-OG1 3.05Å |
| 116 | A | 90.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 5% | 0.05 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -60 | 145.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | C112 D118 C121 W157 K158 | C112-A116 WeakPolarHBondContact O-CB 2.86Å; C112-A116 PolarHBondContact O-N 3.42Å; A116-D118 WeakPolarHBondContact CB-O 3.44Å; A116-C121 HydrophobicContact CB-CB 3.81Å; A116-W157 HydrophobicContact CB-CE3 4.19Å; A116-W157 HydrophobicContact CB-CZ3 3.8Å; A116-K158 VanDerWaalsContact O-CE 3.26Å; A116-K158 WeakPolarHBondContact O-CE 3.39Å; A116-K158 PolarHBondContact O-NZ 3.25Å |
| 117 | I | 87.4 | Confident | 91.6 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 28% | 0.282 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -67.1 | -45 | 170.8 | -75.2 | -75.3 | 0 | 0 | 0 | 109.8 | E155 A156 K158 P425 | I117-E155 WeakPolarHBondContact CG1-O 3.48Å; I117-A156 PolarHBondContact N-O 3.37Å; I117-K158 HydrophobicContact CD1-CG 3.52Å; I117-K158 HydrophobicContact CG1-CG 4.15Å; I117-P425 HydrophobicContact CG2-CG 4.46Å |
| 118 | D | 87.3 | Confident | 91.9 | Very high | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -146.2 | 175.5 | 179.3 | 82.7 | 84.3 | 0 | 0 | 0 | 112.4 | A116 T120 C121 I484 | A116-D118 WeakPolarHBondContact CB-O 3.44Å; D118-T120 VanDerWaalsContact C-N 3.27Å; D118-T120 PolarHBondContact O-N 2.91Å; D118-T120 WeakPolarHBondContact OD1-CB 3.47Å; D118-T120 PolarHBondContact OD1-N 3.48Å; D118-T120 PolarHBondContact OD1-OG1 3.17Å; D118-C121 PolarHBondContact O-N 3.39Å; D118-C121 PolarHBondContact O-SG 2.95Å; D118-C121 VanDerWaalsContact O-SG 3.35Å; D118-I484 HydrophobicContact CB-CD1 4.25Å; D118-I484 HydrophobicContact CB-CG2 3.5Å |
| 119 | P | 84.8 | Confident | 92 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 20% | 0.201 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.8 | -175.5 | -21.4 | 36 | 0 | 0 | 0 | 116.6 | N795 | P119-N795 WeakPolarHBondContact CD-OD1 3.38Å; P119-N795 HydrophobicContact CG-CB 4.24Å |
| 120 | T | 88.8 | Confident | 92 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.5 | 177 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | D118 V122 V419 T423 Y481 | D118-T120 VanDerWaalsContact C-N 3.27Å; D118-T120 PolarHBondContact O-N 2.91Å; D118-T120 WeakPolarHBondContact OD1-CB 3.47Å; D118-T120 PolarHBondContact OD1-N 3.48Å; D118-T120 PolarHBondContact OD1-OG1 3.17Å; T120-V122 PolarHBondContact O-N 3.16Å; T120-V419 HydrophobicContact CG2-CG2 3.73Å; T120-T423 HydrophobicContact CG2-CG2 4.26Å; T120-T423 WeakPolarHBondContact OG1-CG2 3.33Å; T120-Y481 HydrophobicContact CG2-CD1 4.37Å; T120-Y481 HydrophobicContact CG2-CE1 3.88Å |
| 121 | C | 91.7 | Very high | 92 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | trans | -67 | 124.1 | -179.1 | -44.8 | 0 | 0 | 0 | 0 | 111.6 | S111 A116 D118 D150 A156 W157 | S111-C121 VanDerWaalsContact CB-O 3.22Å; S111-C121 WeakPolarHBondContact CB-O 3.24Å; S111-C121 PolarHBondContact OG-O 2.86Å; A116-C121 HydrophobicContact CB-CB 3.81Å; D118-C121 PolarHBondContact O-N 3.39Å; D118-C121 PolarHBondContact O-SG 2.95Å; D118-C121 VanDerWaalsContact O-SG 3.35Å; C121-D150 VanDerWaalsContact CA-OD2 3.26Å; C121-D150 WeakPolarHBondContact CA-OD2 3.18Å; C121-A156 HydrophobicContact CB-CB 4.43Å; C121-A156 PolarHBondContact SG-O 2.59Å; C121-W157 HydrophobicContact CB-CH2 3.98Å; C121-W157 HydrophobicContact CB-CZ2 4.17Å; C121-W157 HydrophobicContact CB-CZ3 4.28Å | ||
| 122 | V | 93.7 | Very high | 92 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | trans | -140.9 | 142.3 | -170.3 | -77 | 0 | 0 | 0 | 0 | 113.5 | F103 Y110 T120 D150 | F103-V122 HydrophobicContact CE2-CB 4.24Å; F103-V122 HydrophobicContact CE2-CG2 3.59Å; F103-V122 HydrophobicContact CZ-CB 4.49Å; F103-V122 HydrophobicContact CZ-CG2 4.23Å; Y110-V122 WeakPolarHBondContact O-CA 3.42Å; T120-V122 PolarHBondContact O-N 3.16Å; V122-D150 PolarHBondContact N-OD2 3.31Å; V122-D150 PolarHBondContact O-N 3.17Å | ||
| 123 | L | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 145.3 | 174.5 | -61.6 | 169.6 | 0 | 0 | 0 | 110.6 | Y110 C127 F128 H133 C151 W157 | Y110-L123 PolarHBondContact N-O 3.32Å; Y110-L123 PolarHBondContact O-N 3.23Å; L123-C127 HydrophobicContact CD2-CB 4.25Å; L123-F128 HydrophobicContact CB-CB 4.11Å; L123-F128 HydrophobicContact CD1-CB 4.45Å; L123-F128 HydrophobicContact CD1-CD2 4.42Å; L123-H133 HydrophobicContact CD1-CB 4.3Å; L123-H133 VanDerWaalsContact CD1-CD2 3.47Å; L123-H133 WeakPolarHBondContact CD1-CD2 3.49Å; L123-C151 HydrophobicContact CD2-CB 3.73Å; L123-W157 HydrophobicContact CD1-CH2 4.03Å; L123-W157 HydrophobicContact CD1-CZ2 4.07Å; L123-W157 HydrophobicContact CD2-CH2 4.32Å; L123-W157 HydrophobicContact CD2-CZ2 3.57Å; L123-W157 HydrophobicContact CG-CH2 3.81Å; L123-W157 HydrophobicContact CG-CZ2 3.57Å |
| 124 | C | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | trans | -68.5 | 162 | 162.3 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | F103 D126 C127 F128 C149 | F103-C124 HydrophobicContact CE1-CB 3.75Å; F103-C124 HydrophobicContact CZ-CB 4.46Å; C124-D126 VanDerWaalsContact C-N 3.29Å; C124-D126 PolarHBondContact O-N 2.88Å; C124-C127 PolarHBondContact O-N 2.88Å; C124-C127 PolarHBondContact SG-N 3.34Å; C124-C127 VanDerWaalsContact SG-N 3.39Å; C124-F128 WeakPolarHBondContact O-CB 3.48Å; C124-F128 PolarHBondContact O-N 2.96Å; C124-C149 HydrophobicContact CB-CB 4.2Å; C124-C149 PolarHBondContact N-SG 2.95Å | ||
| 125 | M | 94.2 | Very high | 92.6 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 36% | 0.36 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -46.8 | -52.2 | 176.5 | -179.9 | 71.4 | 75.8 | 0 | 0 | 112.2 | Y110 F128 Q129 | Y110-M125 HydrophobicContact CE2-CB 4.3Å; Y110-M125 HydrophobicContact CE2-CE 4.07Å; Y110-M125 HydrophobicContact CE2-SD 3.89Å; Y110-M125 WeakPolarHBondContact OH-CE 3.46Å; Y110-M125 PolarHBondContact OH-SD 3.35Å; Y110-M125 VanDerWaalsContact OH-SD 3.35Å; M125-F128 PolarHBondContact O-N 3.39Å; M125-Q129 HydrophobicContact CG-CG 4.49Å; M125-Q129 WeakPolarHBondContact O-CG 3.24Å; M125-Q129 PolarHBondContact O-N 3.31Å; M125-Q129 HydrophobicContact SD-CG 4.25Å |
| 126 | D | 94.2 | Very high | 92.6 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -47.5 | -172.4 | -45.2 | -45.2 | 0 | 0 | 0 | 111 | R101 C124 F128 Q129 D130 | R101-D126 IonicContact CZ-OD2 3.58Å; R101-D126 IonicContact NH1-OD2 2.81Å; R101-D126 PolarHBondContact NH1-OD2 2.8Å; C124-D126 VanDerWaalsContact C-N 3.29Å; C124-D126 PolarHBondContact O-N 2.88Å; D126-F128 VanDerWaalsContact C-N 3.34Å; D126-F128 PolarHBondContact O-N 3.06Å; D126-Q129 PolarHBondContact O-N 2.73Å; D126-D130 WeakPolarHBondContact O-CB 3.44Å; D126-D130 PolarHBondContact O-N 3.2Å |
| 127 | C | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 176.8 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | L123 C124 S131 C151 C163 H166 | L123-C127 HydrophobicContact CD2-CB 4.25Å; C124-C127 PolarHBondContact O-N 2.88Å; C124-C127 PolarHBondContact SG-N 3.34Å; C124-C127 VanDerWaalsContact SG-N 3.39Å; C127-S131 WeakPolarHBondContact O-CB 3.43Å; C127-S131 PolarHBondContact O-N 3.43Å; C127-S131 VanDerWaalsContact O-N 3.12Å; C127-S131 PolarHBondContact O-OG 3.32Å; C127-C151 HydrophobicContact CB-CB 3.75Å; C127-C151 VanDerWaalsContact SG-CB 3.56Å; C127-C151 VanDerWaalsContact SG-SG 3.63Å; C127-C163 HydrophobicContact CB-CB 4.27Å; C127-C163 WeakPolarHBondContact O-CB 3.34Å; C127-H166 PolarHBondContact SG-CE1 2.86Å |
| 128 | F | 95.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -49.9 | 175.3 | 174.8 | -106 | 0 | 0 | 0 | 111.3 | Y110 L123 C124 M125 D126 D130 S131 H133 K134 Y138 | Y110-F128 AromaticContact CD1-CD1 3.47Å; Y110-F128 HydrophobicContact CD1-CD1 3.47Å; Y110-F128 VanDerWaalsContact CD1-CD1 3.47Å; Y110-F128 HydrophobicContact CD1-CD2 4.05Å; Y110-F128 AromaticContact CD1-CE1 3.52Å; Y110-F128 HydrophobicContact CD1-CE1 3.52Å; Y110-F128 HydrophobicContact CD1-CE2 4.09Å; Y110-F128 AromaticContact CD1-CG 3.74Å; Y110-F128 HydrophobicContact CD1-CG 3.74Å; Y110-F128 AromaticContact CD1-CZ 3.83Å; Y110-F128 HydrophobicContact CD1-CZ 3.83Å; Y110-F128 HydrophobicContact CD2-CB 4.04Å; Y110-F128 HydrophobicContact CD2-CD1 4.23Å; Y110-F128 HydrophobicContact CD2-CG 4.15Å; Y110-F128 AromaticContact CE1-CD1 3.74Å; Y110-F128 HydrophobicContact CE1-CD1 3.74Å; Y110-F128 AromaticContact CE1-CE1 3.71Å; Y110-F128 HydrophobicContact CE1-CE1 3.71Å; Y110-F128 HydrophobicContact CE1-CG 4.42Å; Y110-F128 HydrophobicContact CE1-CZ 4.38Å; Y110-F128 HydrophobicContact CE2-CD1 4.48Å; Y110-F128 HydrophobicContact CG-CB 3.91Å; Y110-F128 AromaticContact CG-CD1 3.75Å; Y110-F128 HydrophobicContact CG-CD1 3.75Å; Y110-F128 AromaticContact CG-CD2 3.97Å; Y110-F128 HydrophobicContact CG-CD2 3.97Å; Y110-F128 HydrophobicContact CG-CE1 4.25Å; Y110-F128 HydrophobicContact CG-CE2 4.44Å; Y110-F128 AromaticContact CG-CG 3.59Å; Y110-F128 HydrophobicContact CG-CG 3.59Å; L123-F128 HydrophobicContact CB-CB 4.11Å; L123-F128 HydrophobicContact CD1-CB 4.45Å; L123-F128 HydrophobicContact CD1-CD2 4.42Å; C124-F128 WeakPolarHBondContact O-CB 3.48Å; C124-F128 PolarHBondContact O-N 2.96Å; M125-F128 PolarHBondContact O-N 3.39Å; D126-F128 VanDerWaalsContact C-N 3.34Å; D126-F128 PolarHBondContact O-N 3.06Å; F128-D130 VanDerWaalsContact C-N 3.29Å; F128-D130 PolarHBondContact O-N 3.23Å; F128-S131 PolarHBondContact O-N 2.77Å; F128-S131 PolarHBondContact O-OG 3.04Å; F128-H133 HydrophobicContact CD2-CB 4.31Å; F128-H133 HydrophobicContact CE2-CB 4.35Å; F128-K134 HydrophobicContact CE1-CB 4.1Å; F128-K134 HydrophobicContact CE2-CB 4.3Å; F128-K134 HydrophobicContact CZ-CB 3.93Å; F128-Y138 HydrophobicContact CE1-CE2 4.32Å; F128-Y138 HydrophobicContact CE2-CD1 4.02Å; F128-Y138 HydrophobicContact CE2-CD2 4.19Å; F128-Y138 AromaticContact CE2-CG 3.86Å; F128-Y138 HydrophobicContact CE2-CG 3.86Å; F128-Y138 AromaticContact CZ-CD1 3.61Å; F128-Y138 HydrophobicContact CZ-CD1 3.61Å; F128-Y138 AromaticContact CZ-CD2 3.81Å; F128-Y138 HydrophobicContact CZ-CD2 3.81Å; F128-Y138 AromaticContact CZ-CE1 3.66Å; F128-Y138 HydrophobicContact CZ-CE1 3.66Å; F128-Y138 AromaticContact CZ-CE2 3.84Å; F128-Y138 HydrophobicContact CZ-CE2 3.84Å; F128-Y138 AromaticContact CZ-CG 3.7Å; F128-Y138 HydrophobicContact CZ-CG 3.7Å; F128-Y138 AromaticContact CZ-CZ 3.77Å |
| 129 | Q | 95.3 | Very high | 92.8 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 41% | 0.407 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -33 | 178.5 | -66.6 | -62.3 | -14.6 | 0 | 0 | 112.9 | M125 D126 K134 | M125-Q129 HydrophobicContact CG-CG 4.49Å; M125-Q129 WeakPolarHBondContact O-CG 3.24Å; M125-Q129 PolarHBondContact O-N 3.31Å; M125-Q129 HydrophobicContact SD-CG 4.25Å; D126-Q129 PolarHBondContact O-N 2.73Å; Q129-K134 VanDerWaalsContact O-CD 3.28Å; Q129-K134 WeakPolarHBondContact O-CD 3.19Å; Q129-K134 VanDerWaalsContact O-CE 3.3Å; Q129-K134 WeakPolarHBondContact O-CE 3.33Å; Q129-K134 PolarHBondContact O-NZ 3.48Å |
| 130 | D | 94.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 11.9 | 179.3 | -71 | -25.3 | 0 | 0 | 0 | 113.9 | D126 F128 C163 V164 N165 | D126-D130 WeakPolarHBondContact O-CB 3.44Å; D126-D130 PolarHBondContact O-N 3.2Å; F128-D130 VanDerWaalsContact C-N 3.29Å; F128-D130 PolarHBondContact O-N 3.23Å; D130-C163 HydrophobicContact CB-CB 4.13Å; D130-C163 WeakPolarHBondContact O-CA 3.36Å; D130-C163 WeakPolarHBondContact O-CB 2.93Å; D130-V164 HydrophobicContact CB-CB 4.32Å; D130-V164 WeakPolarHBondContact O-CG2 3.49Å; D130-V164 PolarHBondContact O-N 3.19Å; D130-N165 PolarHBondContact OD2-ND2 3.11Å |
| 131 | S | 93.8 | Very high | 93.1 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -110.3 | 173.3 | 177.8 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | C127 F128 H133 | C127-S131 WeakPolarHBondContact O-CB 3.43Å; C127-S131 PolarHBondContact O-N 3.43Å; C127-S131 VanDerWaalsContact O-N 3.12Å; C127-S131 PolarHBondContact O-OG 3.32Å; F128-S131 PolarHBondContact O-N 2.77Å; F128-S131 PolarHBondContact O-OG 3.04Å; S131-H133 PolarHBondContact O-N 2.99Å; S131-H133 WeakPolarHBondContact OG-CB 3.5Å; S131-H133 PolarHBondContact OG-CD2 2.84Å; S131-H133 VanDerWaalsContact OG-CD2 3.32Å; S131-H133 PolarHBondContact OG-N 2.81Å |
| 132 | V | 94 | Very high | 93.1 | Very high | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -67.6 | -24.8 | 168.9 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | K134 N135 | V132-K134 VanDerWaalsContact C-N 3.26Å; V132-K134 PolarHBondContact O-N 3.13Å; V132-N135 PolarHBondContact O-N 3.42Å; V132-N135 VanDerWaalsContact O-N 3.16Å |
| 133 | H | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -66.9 | -20.9 | -168.5 | -56.3 | -62.5 | 0 | 0 | 0 | 114.6 | C112 C115 L123 F128 S131 N135 H136 W157 T159 G160 | C112-H133 HydrophobicContact CB-CB 3.89Å; C115-H133 VanDerWaalsContact CB-CE1 3.43Å; C115-H133 WeakPolarHBondContact CB-CE1 3.48Å; C115-H133 WeakPolarHBondContact CB-ND1 3.41Å; L123-H133 HydrophobicContact CD1-CB 4.3Å; L123-H133 VanDerWaalsContact CD1-CD2 3.47Å; L123-H133 WeakPolarHBondContact CD1-CD2 3.49Å; F128-H133 HydrophobicContact CD2-CB 4.31Å; F128-H133 HydrophobicContact CE2-CB 4.35Å; S131-H133 PolarHBondContact O-N 2.99Å; S131-H133 WeakPolarHBondContact OG-CB 3.5Å; S131-H133 PolarHBondContact OG-CD2 2.84Å; S131-H133 VanDerWaalsContact OG-CD2 3.32Å; S131-H133 PolarHBondContact OG-N 2.81Å; H133-N135 PolarHBondContact O-N 3.16Å; H133-H136 WeakPolarHBondContact O-CB 3.46Å; H133-H136 PolarHBondContact O-N 3.11Å; H133-W157 AromaticContact CE1-CE3 3.84Å; H133-T159 PolarHBondContact CE1-O 3.41Å; H133-G160 PolarHBondContact NE2-O 3.03Å |
| 134 | K | 93.9 | Very high | 91.7 | Very high | 92 Ų | 92 | 65.4 Ų | 65.4 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -61.5 | -20.2 | 174.2 | 69.3 | -177.5 | 169.1 | -170.7 | 0 | 114.3 | F128 Q129 V132 | F128-K134 HydrophobicContact CE1-CB 4.1Å; F128-K134 HydrophobicContact CE2-CB 4.3Å; F128-K134 HydrophobicContact CZ-CB 3.93Å; Q129-K134 VanDerWaalsContact O-CD 3.28Å; Q129-K134 WeakPolarHBondContact O-CD 3.19Å; Q129-K134 VanDerWaalsContact O-CE 3.3Å; Q129-K134 WeakPolarHBondContact O-CE 3.33Å; Q129-K134 PolarHBondContact O-NZ 3.48Å; V132-K134 VanDerWaalsContact C-N 3.26Å; V132-K134 PolarHBondContact O-N 3.13Å |
| 135 | N | 93.8 | Very high | 90.6 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -96.1 | 2.3 | 178.3 | -57.3 | -49.7 | 0 | 0 | 0 | 113 | V132 H133 | V132-N135 PolarHBondContact O-N 3.42Å; V132-N135 VanDerWaalsContact O-N 3.16Å; H133-N135 PolarHBondContact O-N 3.16Å |
| 136 | H | 92.6 | Very high | 89.4 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -105.8 | 177.2 | -177.9 | -63 | 175.1 | 0 | 0 | 0 | 110.8 | C112 D114 C115 H133 Y138 | C112-H136 VanDerWaalsContact SG-CB 3.51Å; D114-H136 HydrophobicContact CB-CB 4.32Å; D114-H136 WeakPolarHBondContact OD2-CB 3.21Å; C115-H136 PolarHBondContact SG-CE1 3.25Å; C115-H136 PolarHBondContact SG-ND1 2.78Å; H133-H136 WeakPolarHBondContact O-CB 3.46Å; H133-H136 PolarHBondContact O-N 3.11Å; H136-Y138 WeakPolarHBondContact O-CD1 3.44Å; H136-Y138 PolarHBondContact O-N 3.34Å |
| 137 | R | 88.6 | Confident | 88.8 | Confident | 101 Ų | 101 | 60.4 Ų | 60.4 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | trans | -70.9 | 126.9 | 167.1 | -58.2 | -177.6 | -57 | 136.7 | 16.4 | 108.8 | R113 D114 E797 | R113-R137 HydrophobicContact CB-CB 4.34Å; R113-R137 PolarHBondContact N-O 3.32Å; D114-R137 IonicContact OD1-CZ 3.08Å; D114-R137 IonicContact OD1-NE 3.82Å; D114-R137 PolarHBondContact OD1-NE 3.2Å; D114-R137 IonicContact OD1-NH2 3.25Å; D114-R137 PolarHBondContact OD1-NH2 2.75Å; D114-R137 WeakPolarHBondContact OD2-CB 3.38Å; D114-R137 PolarHBondContact OD2-N 2.75Å; D114-R137 IonicContact OD2-NE 3.02Å; R137-E797 IonicContact CZ-OE1 2.83Å; R137-E797 IonicContact NH1-OE1 2.75Å; R137-E797 IonicContact NH2-OE1 3.32Å; R137-E797 PolarHBondContact NH2-OE1 3.46Å | ||
| 138 | Y | 91.2 | Very high | 88.5 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 163.7 | 177.9 | 66.7 | -88.4 | 0 | 0 | 0 | 111.5 | Y110 S111 F128 H136 M140 | Y110-Y138 AromaticContact CD1-CD2 3.97Å; Y110-Y138 HydrophobicContact CD1-CD2 3.97Å; Y110-Y138 HydrophobicContact CD1-CE2 4.02Å; Y110-Y138 HydrophobicContact CE1-CE2 4.18Å; S111-Y138 CarbonylContact O-C 3.57Å; S111-Y138 WeakPolarHBondContact O-CA 3.46Å; S111-Y138 WeakPolarHBondContact O-CB 3.25Å; F128-Y138 HydrophobicContact CE1-CE2 4.32Å; F128-Y138 HydrophobicContact CE2-CD1 4.02Å; F128-Y138 HydrophobicContact CE2-CD2 4.19Å; F128-Y138 AromaticContact CE2-CG 3.86Å; F128-Y138 HydrophobicContact CE2-CG 3.86Å; F128-Y138 AromaticContact CZ-CD1 3.61Å; F128-Y138 HydrophobicContact CZ-CD1 3.61Å; F128-Y138 AromaticContact CZ-CD2 3.81Å; F128-Y138 HydrophobicContact CZ-CD2 3.81Å; F128-Y138 AromaticContact CZ-CE1 3.66Å; F128-Y138 HydrophobicContact CZ-CE1 3.66Å; F128-Y138 AromaticContact CZ-CE2 3.84Å; F128-Y138 HydrophobicContact CZ-CE2 3.84Å; F128-Y138 AromaticContact CZ-CG 3.7Å; F128-Y138 HydrophobicContact CZ-CG 3.7Å; F128-Y138 AromaticContact CZ-CZ 3.77Å; H136-Y138 WeakPolarHBondContact O-CD1 3.44Å; H136-Y138 PolarHBondContact O-N 3.34Å; Y138-M140 HydrophobicContact CD2-CG 4.19Å; Y138-M140 HydrophobicContact CE2-CG 3.89Å; Y138-M140 HydrophobicContact CE2-SD 4.14Å |
| 139 | K | 89 | Confident | 88.3 | Confident | 96 Ų | 96 | 60.5 Ų | 60.5 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138 | 170.6 | -172.5 | 173.1 | 168.2 | -177.6 | 0 | 109.5 | S111 H141 | S111-K139 PolarHBondContact N-O 3.3Å; S111-K139 PolarHBondContact O-N 2.96Å; K139-H141 VanDerWaalsContact CD-NE2 3.28Å; K139-H141 WeakPolarHBondContact CD-NE2 3.4Å; K139-H141 WeakPolarHBondContact CE-NE2 3.47Å; K139-H141 WeakPolarHBondContact CG-NE2 3.37Å |
| 140 | M | 92.3 | Very high | 88.2 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 49% | 0.488 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 140.4 | 172.3 | -67.4 | 169.3 | 65.5 | 0 | 0 | 109.7 | T108 T109 Y110 Y138 | T108-M140 HydrophobicContact CG2-CB 4.46Å; T108-M140 HydrophobicContact CG2-CE 3.64Å; T109-M140 WeakPolarHBondContact O-CA 3.39Å; Y110-M140 HydrophobicContact CD1-CG 3.79Å; Y110-M140 HydrophobicContact CE1-CE 4.09Å; Y110-M140 HydrophobicContact CE1-CG 3.53Å; Y110-M140 HydrophobicContact CE1-SD 3.89Å; Y138-M140 HydrophobicContact CD2-CG 4.19Å; Y138-M140 HydrophobicContact CE2-CG 3.89Å; Y138-M140 HydrophobicContact CE2-SD 4.14Å |
| 141 | H | 88.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.4 | 177.4 | -71.1 | -106.4 | 0 | 0 | 0 | 109.6 | T108 T109 K139 | T108-H141 WeakPolarHBondContact CA-O 3.2Å; T109-H141 PolarHBondContact N-O 3.4Å; T109-H141 PolarHBondContact O-N 2.88Å; K139-H141 VanDerWaalsContact CD-NE2 3.28Å; K139-H141 WeakPolarHBondContact CD-NE2 3.4Å; K139-H141 WeakPolarHBondContact CE-NE2 3.47Å; K139-H141 WeakPolarHBondContact CG-NE2 3.37Å |
| 142 | T | 91.1 | Very high | 87.8 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 63% | 0.632 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.6 | 166.1 | -52.3 | 0 | 0 | 0 | 0 | 107.6 | ||
| 143 | S | 85 | Confident | 87.6 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | trans | -67.6 | 138.9 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | F103 K104 S105 G106 E107 G145 | F103-S143 WeakPolarHBondContact CB-OG 3.35Å; K104-S143 WeakPolarHBondContact O-CB 3.3Å; S105-S143 WeakPolarHBondContact CA-O 3.34Å; G106-S143 PolarHBondContact N-O 3.36Å; E107-S143 VanDerWaalsContact O-CB 3.23Å; E107-S143 WeakPolarHBondContact O-CB 3.45Å; E107-S143 PolarHBondContact O-N 2.92Å; S143-G145 VanDerWaalsContact C-N 3.29Å; S143-G145 PolarHBondContact OG-N 3.44Å | ||
| 144 | T | 75 | Confident | 87.3 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 64% | 0.644 | 29% | 0.294 | S | S | * | . | trans | -88.2 | 2.5 | 167.5 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 145 | G | 71.4 | Confident | 87 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 83.9 | 170.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S143 | S143-G145 VanDerWaalsContact C-N 3.29Å; S143-G145 PolarHBondContact OG-N 3.44Å |
| 146 | G | 68.2 | Low | 86.8 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 19% | 0.186 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 86.1 | 14.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 147 | G | 81.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | trans | -141.6 | 172 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V102 F103 | V102-G147 CarbonylContact C-O 3.56Å; V102-G147 WeakPolarHBondContact CA-O 3.3Å; F103-G147 WeakPolarHBondContact CD2-O 3.44Å; F103-G147 PolarHBondContact N-O 3.12Å | ||
| 148 | F | 88.3 | Confident | 86.9 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -135.7 | 169.8 | 179.8 | 67.4 | -86.2 | 0 | 0 | 0 | 113.1 | R101 V102 F103 F375 F379 Q420 | R101-F148 CarbonylContact O-C 3.52Å; R101-F148 WeakPolarHBondContact O-CA 3.33Å; R101-F148 WeakPolarHBondContact O-CB 3.27Å; V102-F148 HydrophobicContact CG2-CB 4.35Å; F103-F148 VanDerWaalsContact CE2-O 3.24Å; F103-F148 WeakPolarHBondContact CE2-O 3.33Å; F148-F375 AromaticContact CD1-CD1 3.47Å; F148-F375 HydrophobicContact CD1-CD1 3.47Å; F148-F375 VanDerWaalsContact CD1-CD1 3.47Å; F148-F375 AromaticContact CD1-CE1 3.43Å; F148-F375 HydrophobicContact CD1-CE1 3.43Å; F148-F375 VanDerWaalsContact CD1-CE1 3.43Å; F148-F375 AromaticContact CE1-CD1 3.97Å; F148-F375 HydrophobicContact CE1-CD1 3.97Å; F148-F375 AromaticContact CE1-CE1 3.9Å; F148-F375 HydrophobicContact CE1-CE1 3.9Å; F148-F375 HydrophobicContact CG-CD1 4.35Å; F148-F379 HydrophobicContact CE1-CB 4.41Å; F148-F379 AromaticContact CE1-CD2 3.99Å; F148-F379 HydrophobicContact CE1-CD2 3.99Å; F148-Q420 HydrophobicContact CE1-CB 4.43Å; F148-Q420 HydrophobicContact CE1-CG 4.21Å |
| 149 | C | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -74.4 | 118.4 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | C99 R101 F103 C124 C151 | C99-C149 HydrophobicContact CB-CB 4.14Å; R101-C149 HydrophobicContact CB-CB 4.23Å; R101-C149 PolarHBondContact O-N 3.18Å; F103-C149 HydrophobicContact CE1-CB 4.4Å; F103-C149 HydrophobicContact CZ-CB 3.95Å; C124-C149 HydrophobicContact CB-CB 4.2Å; C124-C149 PolarHBondContact N-SG 2.95Å; C149-C151 PolarHBondContact O-N 2.93Å; C149-C151 VanDerWaalsContact O-N 3.1Å; C149-C151 VanDerWaalsContact SG-CB 3.58Å | ||
| 150 | D | 92.4 | Very high | 87 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | trans | -77.1 | 12.8 | -179.6 | -56.7 | -55.6 | 0 | 0 | 0 | 114.3 | C121 V122 G152 D153 A156 W157 | C121-D150 VanDerWaalsContact CA-OD2 3.26Å; C121-D150 WeakPolarHBondContact CA-OD2 3.18Å; V122-D150 PolarHBondContact N-OD2 3.31Å; V122-D150 PolarHBondContact O-N 3.17Å; D150-G152 PolarHBondContact O-N 2.94Å; D150-D153 PolarHBondContact O-N 2.81Å; D150-D153 VanDerWaalsContact O-N 3.12Å; D150-A156 HydrophobicContact CB-CB 3.83Å; D150-W157 HydrophobicContact CB-CZ2 4.15Å; D150-W157 PolarHBondContact O-NE1 3.13Å | ||
| 151 | C | 92.7 | Very high | 87 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 121.8 | 176 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | L98 C99 L123 C127 C149 C163 | L98-C151 WeakPolarHBondContact CA-O 3.41Å; C99-C151 HydrophobicContact CB-CB 3.75Å; C99-C151 PolarHBondContact N-O 2.96Å; L123-C151 HydrophobicContact CD2-CB 3.73Å; C127-C151 HydrophobicContact CB-CB 3.75Å; C127-C151 VanDerWaalsContact SG-CB 3.56Å; C127-C151 VanDerWaalsContact SG-SG 3.63Å; C149-C151 PolarHBondContact O-N 2.93Å; C149-C151 VanDerWaalsContact O-N 3.1Å; C149-C151 VanDerWaalsContact SG-CB 3.58Å; C151-C163 PolarHBondContact SG-N 3.43Å |
| 152 | G | 88.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 37 Ų | 37 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -15.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q97 L98 D150 T154 P161 | Q97-G152 VanDerWaalsContact O-CA 3.24Å; Q97-G152 WeakPolarHBondContact O-CA 3.41Å; L98-G152 VanDerWaalsContact CD2-C 3.41Å; D150-G152 PolarHBondContact O-N 2.94Å; G152-T154 PolarHBondContact O-N 2.9Å; G152-P161 PolarHBondContact N-O 2.74Å |
| 153 | D | 88.2 | Confident | 87.2 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | trans | -80.4 | 109.5 | 178.9 | -165.2 | -40.4 | 0 | 0 | 0 | 110 | L98 D150 E155 A156 W157 | L98-D153 HydrophobicContact CD2-CB 4.06Å; D150-D153 PolarHBondContact O-N 2.81Å; D150-D153 VanDerWaalsContact O-N 3.12Å; D153-E155 PolarHBondContact O-N 2.95Å; D153-E155 WeakPolarHBondContact OD1-CA 3.49Å; D153-E155 WeakPolarHBondContact OD1-CB 2.92Å; D153-E155 PolarHBondContact OD1-N 2.99Å; D153-A156 HydrophobicContact CB-CB 4.01Å; D153-A156 PolarHBondContact O-N 3.07Å; D153-A156 PolarHBondContact OD1-N 3.12Å; D153-W157 VanDerWaalsContact O-CD1 3.29Å | ||
| 154 | T | 88.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 34.3 Ų | 34.3 | 58% | 0.577 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.6 | -179 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | G152 P161 F162 | G152-T154 PolarHBondContact O-N 2.9Å; T154-P161 HydrophobicContact CG2-CB 4.41Å; T154-P161 HydrophobicContact CG2-CG 4.09Å; T154-F162 HydrophobicContact CG2-CE2 4.23Å; T154-F162 HydrophobicContact CG2-CZ 3.94Å |
| 155 | E | 88.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 33.7 Ų | 33.7 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -13.8 | 174.8 | -58.4 | -164.9 | -141.5 | 0 | 0 | 113.8 | I117 D153 P425 T426 | I117-E155 WeakPolarHBondContact CG1-O 3.48Å; D153-E155 PolarHBondContact O-N 2.95Å; D153-E155 WeakPolarHBondContact OD1-CA 3.49Å; D153-E155 WeakPolarHBondContact OD1-CB 2.92Å; D153-E155 PolarHBondContact OD1-N 2.99Å; E155-P425 HydrophobicContact CB-CG 4.23Å; E155-P425 WeakPolarHBondContact OE2-CD 3.28Å; E155-T426 VanDerWaalsContact CD-OG1 3.25Å; E155-T426 WeakPolarHBondContact OE1-CB 3.46Å; E155-T426 WeakPolarHBondContact OE1-CG2 3.25Å; E155-T426 PolarHBondContact OE1-OG1 2.91Å; E155-T426 WeakPolarHBondContact OE2-CB 3.35Å; E155-T426 VanDerWaalsContact OE2-CG2 3.26Å; E155-T426 WeakPolarHBondContact OE2-CG2 3.39Å; E155-T426 PolarHBondContact OE2-N 3.48Å; E155-T426 PolarHBondContact OE2-OG1 3.31Å; E155-T426 VanDerWaalsContact OE2-OG1 3.1Å |
| 156 | A | 89.6 | Confident | 88.4 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -23.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | I117 C121 D150 D153 | I117-A156 PolarHBondContact N-O 3.37Å; C121-A156 HydrophobicContact CB-CB 4.43Å; C121-A156 PolarHBondContact SG-O 2.59Å; D150-A156 HydrophobicContact CB-CB 3.83Å; D153-A156 HydrophobicContact CB-CB 4.01Å; D153-A156 PolarHBondContact O-N 3.07Å; D153-A156 PolarHBondContact OD1-N 3.12Å |
| 157 | W | 91.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -125.6 | 127.3 | -171.7 | -50.9 | 97.6 | 0 | 0 | 0 | 112.9 | C112 C115 A116 C121 L123 H133 D150 D153 T159 P161 | C112-W157 HydrophobicContact CB-CZ3 3.84Å; C115-W157 HydrophobicContact CB-CE3 4.09Å; A116-W157 HydrophobicContact CB-CE3 4.19Å; A116-W157 HydrophobicContact CB-CZ3 3.8Å; C121-W157 HydrophobicContact CB-CH2 3.98Å; C121-W157 HydrophobicContact CB-CZ2 4.17Å; C121-W157 HydrophobicContact CB-CZ3 4.28Å; L123-W157 HydrophobicContact CD1-CH2 4.03Å; L123-W157 HydrophobicContact CD1-CZ2 4.07Å; L123-W157 HydrophobicContact CD2-CH2 4.32Å; L123-W157 HydrophobicContact CD2-CZ2 3.57Å; L123-W157 HydrophobicContact CG-CH2 3.81Å; L123-W157 HydrophobicContact CG-CZ2 3.57Å; H133-W157 AromaticContact CE1-CE3 3.84Å; D150-W157 HydrophobicContact CB-CZ2 4.15Å; D150-W157 PolarHBondContact O-NE1 3.13Å; D153-W157 VanDerWaalsContact O-CD1 3.29Å; W157-T159 PolarHBondContact O-N 2.9Å; W157-P161 HydrophobicContact CB-CB 4.08Å; W157-P161 HydrophobicContact CG-CB 4.28Å |
| 158 | K | 90.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -59.3 | -36.5 | 171.5 | -64.1 | 164.9 | 179 | 139.1 | 0 | 112 | C115 A116 I117 | C115-K158 WeakPolarHBondContact O-CB 3.44Å; C115-K158 WeakPolarHBondContact O-CG 3.46Å; C115-K158 PolarHBondContact O-N 3.22Å; A116-K158 VanDerWaalsContact O-CE 3.26Å; A116-K158 WeakPolarHBondContact O-CE 3.39Å; A116-K158 PolarHBondContact O-NZ 3.25Å; I117-K158 HydrophobicContact CD1-CG 3.52Å; I117-K158 HydrophobicContact CG1-CG 4.15Å |
| 159 | T | 91.4 | Very high | 87.3 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -152.4 | 146.3 | -179.8 | 54 | 0 | 0 | 0 | 0 | 110.4 | C115 H133 W157 | C115-T159 PolarHBondContact SG-OG1 3.05Å; H133-T159 PolarHBondContact CE1-O 3.41Å; W157-T159 PolarHBondContact O-N 2.9Å |
| 160 | G | 91.8 | Very high | 85.4 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | trans | 71.3 | 39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | H133 F162 | H133-G160 PolarHBondContact NE2-O 3.03Å; G160-F162 PolarHBondContact O-N 3Å | ||
| 161 | P | 92.5 | Very high | 83.3 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 16% | 0.156 | 31% | 0.312 | C | S | . | . | trans | -62.5 | -16.2 | -171.9 | 24.8 | -34.4 | 0 | 0 | 0 | 116 | G152 T154 W157 | G152-P161 PolarHBondContact N-O 2.74Å; T154-P161 HydrophobicContact CG2-CB 4.41Å; T154-P161 HydrophobicContact CG2-CG 4.09Å; W157-P161 HydrophobicContact CB-CB 4.08Å; W157-P161 HydrophobicContact CG-CB 4.28Å | ||
| 162 | F | 92.3 | Very high | 80.7 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | trans | -108.4 | 138.5 | -177.6 | -54.4 | -79.3 | 0 | 0 | 0 | 111.7 | T154 G160 H166 P168 | T154-F162 HydrophobicContact CG2-CE2 4.23Å; T154-F162 HydrophobicContact CG2-CZ 3.94Å; G160-F162 PolarHBondContact O-N 3Å; F162-H166 VanDerWaalsContact CD1-O 3.27Å; F162-H166 WeakPolarHBondContact CD1-O 3.35Å; F162-P168 HydrophobicContact CD1-CG 4.25Å; F162-P168 HydrophobicContact CD2-CG 4.45Å; F162-P168 HydrophobicContact CE1-CG 3.87Å; F162-P168 HydrophobicContact CE2-CG 4.08Å; F162-P168 HydrophobicContact CZ-CG 3.79Å | ||
| 163 | C | 91.8 | Very high | 78.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | trans | -83.3 | 166.8 | 159.1 | 83.2 | 0 | 0 | 0 | 0 | 110.6 | C127 D130 C151 N165 H166 E167 | C127-C163 HydrophobicContact CB-CB 4.27Å; C127-C163 WeakPolarHBondContact O-CB 3.34Å; D130-C163 HydrophobicContact CB-CB 4.13Å; D130-C163 WeakPolarHBondContact O-CA 3.36Å; D130-C163 WeakPolarHBondContact O-CB 2.93Å; C151-C163 PolarHBondContact SG-N 3.43Å; C163-N165 PolarHBondContact O-N 2.92Å; C163-H166 PolarHBondContact O-N 3.21Å; C163-H166 PolarHBondContact SG-ND1 3.33Å; C163-E167 PolarHBondContact O-N 3.37Å; C163-E167 VanDerWaalsContact O-N 3.11Å | ||
| 164 | V | 88.1 | Confident | 76 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 36% | 0.358 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.2 | -178.7 | 165.5 | 0 | 0 | 0 | 0 | 113.8 | D130 R170 | D130-V164 HydrophobicContact CB-CB 4.32Å; D130-V164 WeakPolarHBondContact O-CG2 3.49Å; D130-V164 PolarHBondContact O-N 3.19Å; V164-R170 WeakPolarHBondContact O-CD 3.4Å |
| 165 | N | 83.1 | Confident | 73.4 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -19.3 | -177.1 | -55.5 | -31.8 | 0 | 0 | 0 | 113.7 | D130 C163 | D130-N165 PolarHBondContact OD2-ND2 3.11Å; C163-N165 PolarHBondContact O-N 2.92Å |
| 166 | H | 85.3 | Confident | 71 | Confident | 38 Ų | 38 | 81 Ų | 81 | 18% | 0.176 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 9.1 | 179.4 | -55.7 | 103.9 | 0 | 0 | 0 | 112.2 | F96 C127 F162 C163 P168 | F96-H166 PolarHBondContact O-CD2 3.31Å; C127-H166 PolarHBondContact SG-CE1 2.86Å; F162-H166 VanDerWaalsContact CD1-O 3.27Å; F162-H166 WeakPolarHBondContact CD1-O 3.35Å; C163-H166 PolarHBondContact O-N 3.21Å; C163-H166 PolarHBondContact SG-ND1 3.33Å; H166-P168 WeakPolarHBondContact O-CD 3.19Å |
| 167 | E | 82.4 | Confident | 68.5 | Low | 90 Ų | 90 | 88.2 Ų | 88.2 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | trans | -67 | 122.2 | -179.8 | -172.9 | 171.2 | -138.4 | 0 | 0 | 111.5 | C163 G169 R170 | C163-E167 PolarHBondContact O-N 3.37Å; C163-E167 VanDerWaalsContact O-N 3.11Å; E167-G169 PolarHBondContact O-N 3.49Å; E167-R170 PolarHBondContact O-N 3.07Å; E167-R170 IonicContact OE2-CZ 2.73Å; E167-R170 IonicContact OE2-NE 3.95Å; E167-R170 PolarHBondContact OE2-NE 3.41Å; E167-R170 IonicContact OE2-NH2 2.84Å; E167-R170 PolarHBondContact OE2-NH2 2.99Å | ||
| 168 | P | 71.8 | Confident | 66 | Low | 70 Ų | 70 | 91.5 Ų | 91.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 123.5 | -179.5 | -26.2 | 34.9 | 0 | 0 | 0 | 112.5 | F162 H166 | F162-P168 HydrophobicContact CD1-CG 4.25Å; F162-P168 HydrophobicContact CD2-CG 4.45Å; F162-P168 HydrophobicContact CE1-CG 3.87Å; F162-P168 HydrophobicContact CE2-CG 4.08Å; F162-P168 HydrophobicContact CZ-CG 3.79Å; H166-P168 WeakPolarHBondContact O-CD 3.19Å |
| 169 | G | 59.6 | Low | 63.9 | Low | 71 Ų | 71 | 94.2 Ų | 94.2 | 73% | 0.732 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 1.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | E167 | E167-G169 PolarHBondContact O-N 3.49Š|
| 170 | R | 53.1 | Low | 61.8 | Low | 160 Ų | 160 | 94 Ų | 94 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | trans | -73.9 | -26.9 | 170.1 | -86.8 | -170.2 | -177.3 | -130 | 3.3 | 114.5 | V164 E167 G172 | V164-R170 WeakPolarHBondContact O-CD 3.4Å; E167-R170 PolarHBondContact O-N 3.07Å; E167-R170 IonicContact OE2-CZ 2.73Å; E167-R170 IonicContact OE2-NE 3.95Å; E167-R170 PolarHBondContact OE2-NE 3.41Å; E167-R170 IonicContact OE2-NH2 2.84Å; E167-R170 PolarHBondContact OE2-NH2 2.99Å; R170-G172 PolarHBondContact O-N 2.55Å | ||
| 171 | A | 48.8 | Very low | 60.2 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -66.6 | 112.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A95 T173 | A95-A171 HydrophobicContact CB-CB 4.42Å; A171-T173 PolarHBondContact O-N 2.84Å |
| 172 | G | 38.6 | Very low | 59.2 | Low | 59 Ų | 59 | 96 Ų | 96 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | trans | -58.7 | 123.2 | -161 | 0 | 0 | 0 | 0 | 0 | 115.3 | R170 | R170-G172 PolarHBondContact O-N 2.55Š| ||
| 173 | T | 38.8 | Very low | 58.7 | Low | 144 Ų | 144 | 97.7 Ų | 97.7 | 88% | 0.883 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 53.7 | 65.5 | 155 | 51.9 | 0 | 0 | 0 | 0 | 117.6 | A171 | A171-T173 PolarHBondContact O-N 2.84Š|
| 174 | I | 37.5 | Very low | 58.3 | Low | 137 Ų | 137 | 103.6 Ų | 103.6 | 70% | 0.703 | 57% | 0.571 | S | S | * | * | trans | -132.3 | 144.6 | 146.2 | -43.9 | 179.4 | 0 | 0 | 0 | 109.6 | S178 | I174-S178 VanDerWaalsContact CG2-CB 3.46Å; I174-S178 WeakPolarHBondContact CG2-OG 3.11Å | ||
| 175 | K | 34.5 | Very low | 58.2 | Low | 189 Ų | 189 | 107.5 Ų | 107.5 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | trans | -64.2 | 162.6 | -175 | -68 | 175.5 | 176 | 176.4 | 0 | 112.9 | N177 S178 | K175-N177 PolarHBondContact O-N 3.37Å; K175-S178 PolarHBondContact O-N 3.19Å | ||
| 176 | E | 37.8 | Very low | 58.4 | Low | 199 Ų | 199 | 103.4 Ų | 103.4 | 93% | 0.93 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 33.9 | -179.3 | -60.3 | 172.2 | 118.4 | 0 | 0 | 116.9 | ||
| 177 | N | 37.6 | Very low | 58.5 | Low | 160 Ų | 160 | 102.3 Ų | 102.3 | 86% | 0.856 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.9 | 5.8 | 170.2 | -98.1 | -45.5 | 0 | 0 | 0 | 114 | K175 R179 | K175-N177 PolarHBondContact O-N 3.37Å; N177-R179 VanDerWaalsContact C-N 3.34Å; N177-R179 PolarHBondContact O-N 3.21Å |
| 178 | S | 40 | Very low | 58.8 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | trans | -86.7 | 74.8 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | I174 K175 C180 | I174-S178 VanDerWaalsContact CG2-CB 3.46Å; I174-S178 WeakPolarHBondContact CG2-OG 3.11Å; K175-S178 PolarHBondContact O-N 3.19Å; S178-C180 PolarHBondContact O-N 3.23Å | ||
| 179 | R | 45.6 | Very low | 59.7 | Low | 169 Ų | 169 | 99.7 Ų | 99.7 | 64% | 0.638 | 55% | 0.546 | S | S | * | . | trans | -53 | 130.7 | 133.8 | -65.3 | -179.3 | -179.4 | -175.1 | -1.5 | 105.9 | N177 P181 | N177-R179 VanDerWaalsContact C-N 3.34Å; N177-R179 PolarHBondContact O-N 3.21Å; R179-P181 WeakPolarHBondContact O-CD 3.45Å | ||
| 180 | C | 46.3 | Very low | 61.3 | Low | 80 Ų | 80 | 96.3 Ų | 96.3 | 54% | 0.541 | 51% | 0.511 | S | S | . | . | trans | -83.6 | 99.3 | 157.1 | -171.5 | 0 | 0 | 0 | 0 | 104.7 | S178 | S178-C180 PolarHBondContact O-N 3.23Š| ||
| 181 | P | 58.8 | Low | 63.1 | Low | 84 Ų | 84 | 95.1 Ų | 95.1 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 145.9 | -179.1 | -7.8 | 26.4 | 0 | 0 | 0 | 107.2 | R179 D330 | R179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-D330 WeakPolarHBondContact CA-OD2 3.34Å |
| 182 | L | 72.4 | Confident | 65 | Low | 10 Ų | 10 | 96.1 Ų | 96.1 | 5% | 0.052 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 146.6 | 160.5 | -67.2 | 177.7 | 0 | 0 | 0 | 109.2 | L90 E184 V186 I187 D330 F331 | L90-L182 HydrophobicContact CD1-CD2 4.41Å; L90-L182 HydrophobicContact CD2-CD2 3.48Å; L90-L182 VanDerWaalsContact CD2-CD2 3.48Å; L182-E184 PolarHBondContact O-N 3.1Å; L182-V186 HydrophobicContact CB-CG1 4.47Å; L182-V186 HydrophobicContact CD1-CG1 4.28Å; L182-V186 HydrophobicContact CD2-CG1 4.45Å; L182-I187 HydrophobicContact CB-CD1 4.09Å; L182-I187 HydrophobicContact CB-CG1 3.61Å; L182-I187 HydrophobicContact CD1-CG1 4.48Å; L182-I187 WeakPolarHBondContact O-CD1 3.32Å; L182-D330 HydrophobicContact CB-CB 4.43Å; L182-D330 HydrophobicContact CD1-CB 3.64Å; L182-D330 HydrophobicContact CG-CB 3.87Å; L182-D330 PolarHBondContact N-OD2 3.19Å; L182-F331 HydrophobicContact CD1-CD1 3.52Å; L182-F331 HydrophobicContact CD1-CD2 4.03Å; L182-F331 HydrophobicContact CD1-CE1 3.36Å; L182-F331 HydrophobicContact CD1-CE2 3.89Å; L182-F331 HydrophobicContact CD1-CG 3.84Å; L182-F331 HydrophobicContact CD1-CZ 3.55Å; L182-F331 HydrophobicContact CD2-CE2 3.96Å; L182-F331 HydrophobicContact CD2-CZ 3.97Å; L182-F331 HydrophobicContact CG-CZ 4.44Å |
| 183 | N | 80.6 | Confident | 67.6 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 139.7 | 171.6 | 179.9 | 19.1 | 0 | 0 | 0 | 109 | E185 V186 I187 | N183-E185 PolarHBondContact ND2-OE2 3.28Å; N183-E185 PolarHBondContact O-N 3.47Å; N183-E185 VanDerWaalsContact O-N 3.1Å; N183-V186 HydrophobicContact CB-CG2 4.23Å; N183-V186 WeakPolarHBondContact O-CA 3.37Å; N183-V186 WeakPolarHBondContact O-CB 3.46Å; N183-V186 PolarHBondContact O-N 3.24Å; N183-I187 PolarHBondContact O-N 3.19Å |
| 184 | E | 83.4 | Confident | 70.2 | Confident | 126 Ų | 126 | 86.4 Ų | 86.4 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54.1 | -34.5 | -178.3 | -77.3 | -72 | 175.5 | 0 | 0 | 111.9 | L182 I187 V188 | L182-E184 PolarHBondContact O-N 3.1Å; E184-I187 PolarHBondContact O-N 3.32Å; E184-V188 WeakPolarHBondContact O-CB 3.47Å; E184-V188 VanDerWaalsContact O-CG2 3.29Å; E184-V188 WeakPolarHBondContact O-CG2 3.35Å; E184-V188 PolarHBondContact O-N 2.87Å |
| 185 | E | 85.4 | Confident | 72.9 | Confident | 141 Ų | 141 | 81.5 Ų | 81.5 | 66% | 0.659 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 174.3 | -64 | 170.1 | 149.6 | 0 | 0 | 112 | N183 V188 Q189 | N183-E185 PolarHBondContact ND2-OE2 3.28Å; N183-E185 PolarHBondContact O-N 3.47Å; N183-E185 VanDerWaalsContact O-N 3.1Å; E185-V188 PolarHBondContact O-N 2.89Å; E185-Q189 WeakPolarHBondContact O-CG 3.26Å; E185-Q189 PolarHBondContact O-N 3.43Å |
| 186 | V | 88 | Confident | 75.7 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 176.6 | 179 | 0 | 0 | 0 | 0 | 110.9 | F79 L182 N183 Q189 A190 F331 | F79-V186 HydrophobicContact CD1-CG1 4.44Å; L182-V186 HydrophobicContact CB-CG1 4.47Å; L182-V186 HydrophobicContact CD1-CG1 4.28Å; L182-V186 HydrophobicContact CD2-CG1 4.45Å; N183-V186 HydrophobicContact CB-CG2 4.23Å; N183-V186 WeakPolarHBondContact O-CA 3.37Å; N183-V186 WeakPolarHBondContact O-CB 3.46Å; N183-V186 PolarHBondContact O-N 3.24Å; V186-Q189 PolarHBondContact O-N 2.97Å; V186-A190 WeakPolarHBondContact O-CB 3.4Å; V186-A190 PolarHBondContact O-N 3.39Å; V186-F331 HydrophobicContact CG1-CE1 3.93Å; V186-F331 HydrophobicContact CG1-CZ 3.81Å |
| 187 | I | 88.2 | Confident | 78.4 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.9 | -66 | 177 | 0 | 0 | 0 | 110.7 | L182 N183 E184 R191 I334 | L182-I187 HydrophobicContact CB-CD1 4.09Å; L182-I187 HydrophobicContact CB-CG1 3.61Å; L182-I187 HydrophobicContact CD1-CG1 4.48Å; L182-I187 WeakPolarHBondContact O-CD1 3.32Å; N183-I187 PolarHBondContact O-N 3.19Å; E184-I187 PolarHBondContact O-N 3.32Å; I187-R191 WeakPolarHBondContact O-CB 3.45Å; I187-R191 VanDerWaalsContact O-CG 3.3Å; I187-R191 WeakPolarHBondContact O-CG 3.27Å; I187-R191 PolarHBondContact O-N 2.99Å; I187-I334 HydrophobicContact CG2-CD1 4.16Å |
| 188 | V | 88.8 | Confident | 81.1 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 177.8 | 168 | 0 | 0 | 0 | 0 | 111.1 | E184 E185 R191 K192 | E184-V188 WeakPolarHBondContact O-CB 3.47Å; E184-V188 VanDerWaalsContact O-CG2 3.29Å; E184-V188 WeakPolarHBondContact O-CG2 3.35Å; E184-V188 PolarHBondContact O-N 2.87Å; E185-V188 PolarHBondContact O-N 2.89Å; V188-R191 PolarHBondContact O-N 2.87Å; V188-K192 PolarHBondContact O-N 3.12Å |
| 189 | Q | 90.1 | Very high | 83.6 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 177.9 | -60.9 | -63 | 24.7 | 0 | 0 | 111.9 | D30 E185 V186 R191 K192 I193 | D30-Q189 PolarHBondContact OD1-NE2 3.12Å; E185-Q189 WeakPolarHBondContact O-CG 3.26Å; E185-Q189 PolarHBondContact O-N 3.43Å; V186-Q189 PolarHBondContact O-N 2.97Å; Q189-R191 VanDerWaalsContact C-N 3.31Å; Q189-R191 PolarHBondContact O-N 3.01Å; Q189-K192 WeakPolarHBondContact O-CB 3.47Å; Q189-K192 PolarHBondContact O-N 2.9Å; Q189-K192 VanDerWaalsContact OE1-CE 3.27Å; Q189-I193 HydrophobicContact CB-CD1 4.31Å; Q189-I193 VanDerWaalsContact O-CG1 3.3Å; Q189-I193 WeakPolarHBondContact O-CG1 3.08Å; Q189-I193 PolarHBondContact O-N 3.27Å |
| 190 | A | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L78 V186 K192 I193 F194 F331 I334 | L78-A190 HydrophobicContact CD1-CB 3.72Å; V186-A190 WeakPolarHBondContact O-CB 3.4Å; V186-A190 PolarHBondContact O-N 3.39Å; A190-K192 VanDerWaalsContact C-N 3.27Å; A190-K192 PolarHBondContact O-N 2.97Å; A190-I193 PolarHBondContact O-N 2.71Å; A190-F194 HydrophobicContact CB-CD1 4.18Å; A190-F194 HydrophobicContact CB-CE1 4.03Å; A190-F194 HydrophobicContact CB-CZ 4.49Å; A190-F194 VanDerWaalsContact O-CB 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.29Å; A190-F194 VanDerWaalsContact O-CD1 3.31Å; A190-F194 WeakPolarHBondContact O-CD1 3.32Å; A190-F194 WeakPolarHBondContact O-CG 3.38Å; A190-F194 PolarHBondContact O-N 2.77Å; A190-F331 HydrophobicContact CB-CD1 4.14Å; A190-F331 HydrophobicContact CB-CE1 4.01Å; A190-I334 HydrophobicContact CB-CD1 3.85Å; A190-I334 HydrophobicContact CB-CG2 4.38Å |
| 191 | R | 91.4 | Very high | 88.3 | Confident | 135 Ų | 135 | 44 Ų | 44 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.1 | -22.6 | 176.1 | -76.7 | 173.8 | 175.2 | 154 | 3.1 | 114.3 | I187 V188 Q189 P195 I334 | I187-R191 WeakPolarHBondContact O-CB 3.45Å; I187-R191 VanDerWaalsContact O-CG 3.3Å; I187-R191 WeakPolarHBondContact O-CG 3.27Å; I187-R191 PolarHBondContact O-N 2.99Å; V188-R191 PolarHBondContact O-N 2.87Å; Q189-R191 VanDerWaalsContact C-N 3.31Å; Q189-R191 PolarHBondContact O-N 3.01Å; R191-P195 VanDerWaalsContact O-CD 3.3Å; R191-P195 WeakPolarHBondContact O-CD 3.47Å; R191-P195 WeakPolarHBondContact O-CG 3.43Å; R191-I334 HydrophobicContact CG-CD1 4.31Å; R191-I334 HydrophobicContact CG-CG1 4.25Å; R191-I334 HydrophobicContact CG-CG2 4.04Å |
| 192 | K | 88.9 | Confident | 90 | Very high | 86 Ų | 86 | 40 Ų | 40 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.4 | -46.5 | 169.8 | -62.2 | -177.7 | -164.3 | 161.6 | 0 | 112 | D30 V188 Q189 A190 S196 | D30-K192 IonicContact OD1-NZ 3.36Å; D30-K192 PolarHBondContact OD1-NZ 3.42Å; V188-K192 PolarHBondContact O-N 3.12Å; Q189-K192 WeakPolarHBondContact O-CB 3.47Å; Q189-K192 PolarHBondContact O-N 2.9Å; Q189-K192 VanDerWaalsContact OE1-CE 3.27Å; A190-K192 VanDerWaalsContact C-N 3.27Å; A190-K192 PolarHBondContact O-N 2.97Å; K192-S196 PolarHBondContact O-OG 2.78Å |
| 193 | I | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73 | -47.3 | -171.3 | -64.8 | 163.4 | 0 | 0 | 0 | 111.3 | F35 L74 Y77 L78 Q189 A190 S196 V197 | F35-I193 HydrophobicContact CE1-CB 4.27Å; F35-I193 HydrophobicContact CE1-CG1 4.11Å; F35-I193 HydrophobicContact CE1-CG2 4.3Å; F35-I193 HydrophobicContact CZ-CG1 4.14Å; F35-I193 HydrophobicContact CZ-CG2 4.47Å; L74-I193 HydrophobicContact CD2-CG2 4.41Å; Y77-I193 HydrophobicContact CD1-CD1 3.44Å; Y77-I193 VanDerWaalsContact CD1-CD1 3.44Å; Y77-I193 HydrophobicContact CD1-CG1 3.61Å; Y77-I193 HydrophobicContact CE1-CD1 3.84Å; Y77-I193 HydrophobicContact CE1-CG1 3.56Å; Y77-I193 HydrophobicContact CG-CD1 4.12Å; L78-I193 HydrophobicContact CB-CD1 3.86Å; L78-I193 HydrophobicContact CD1-CD1 3.99Å; Q189-I193 HydrophobicContact CB-CD1 4.31Å; Q189-I193 VanDerWaalsContact O-CG1 3.3Å; Q189-I193 WeakPolarHBondContact O-CG1 3.08Å; Q189-I193 PolarHBondContact O-N 3.27Å; A190-I193 PolarHBondContact O-N 2.71Å; I193-S196 WeakPolarHBondContact O-CB 3.24Å; I193-S196 PolarHBondContact O-N 2.85Å; I193-V197 HydrophobicContact CG2-CG2 3.8Å; I193-V197 WeakPolarHBondContact O-CG2 3.44Å; I193-V197 PolarHBondContact O-N 2.98Å |
| 194 | F | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | -168.8 | -79.2 | 35.8 | 0 | 0 | 0 | 112.6 | L78 A190 S196 V197 I198 M321 I324 F331 I334 F335 | L78-F194 HydrophobicContact CD1-CE1 4.01Å; L78-F194 HydrophobicContact CD2-CE1 4.47Å; A190-F194 HydrophobicContact CB-CD1 4.18Å; A190-F194 HydrophobicContact CB-CE1 4.03Å; A190-F194 HydrophobicContact CB-CZ 4.49Å; A190-F194 VanDerWaalsContact O-CB 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.29Å; A190-F194 VanDerWaalsContact O-CD1 3.31Å; A190-F194 WeakPolarHBondContact O-CD1 3.32Å; A190-F194 WeakPolarHBondContact O-CG 3.38Å; A190-F194 PolarHBondContact O-N 2.77Å; F194-S196 VanDerWaalsContact C-N 3.28Å; F194-S196 PolarHBondContact O-N 2.69Å; F194-V197 PolarHBondContact O-N 2.9Å; F194-I198 HydrophobicContact CB-CD1 4.21Å; F194-I198 WeakPolarHBondContact O-CB 3.48Å; F194-I198 VanDerWaalsContact O-CD1 3.3Å; F194-I198 WeakPolarHBondContact O-CD1 3.45Å; F194-I198 WeakPolarHBondContact O-CG1 3.22Å; F194-I198 PolarHBondContact O-N 2.68Å; F194-M321 HydrophobicContact CD1-CE 4.21Å; F194-M321 HydrophobicContact CD1-SD 4.44Å; F194-M321 HydrophobicContact CD2-CE 4.43Å; F194-M321 HydrophobicContact CD2-SD 3.99Å; F194-M321 HydrophobicContact CE1-CE 4.45Å; F194-M321 HydrophobicContact CE1-SD 4.24Å; F194-M321 HydrophobicContact CE2-SD 3.77Å; F194-M321 HydrophobicContact CG-CE 4.2Å; F194-M321 HydrophobicContact CG-SD 4.32Å; F194-M321 HydrophobicContact CZ-SD 3.91Å; F194-I324 HydrophobicContact CE1-CG2 4.34Å; F194-I324 HydrophobicContact CZ-CG2 3.81Å; F194-F331 HydrophobicContact CE1-CD1 4.28Å; F194-F331 HydrophobicContact CE2-CB 4.14Å; F194-F331 HydrophobicContact CE2-CD1 4.26Å; F194-F331 WeakPolarHBondContact CE2-O 3.29Å; F194-F331 HydrophobicContact CZ-CB 4.09Å; F194-F331 AromaticContact CZ-CD1 3.58Å; F194-F331 HydrophobicContact CZ-CD1 3.58Å; F194-F331 HydrophobicContact CZ-CE1 4.33Å; F194-F331 HydrophobicContact CZ-CG 4.08Å; F194-I334 HydrophobicContact CB-CG2 4.17Å; F194-I334 HydrophobicContact CD2-CB 4.36Å; F194-I334 HydrophobicContact CD2-CG2 3.89Å; F194-I334 HydrophobicContact CG-CG2 4.11Å; F194-F335 HydrophobicContact CD2-CB 3.92Å; F194-F335 HydrophobicContact CE2-CB 4.14Å |
| 195 | P | 93.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 32.1 Ų | 32.1 | 22% | 0.221 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.4 | -41.1 | 177 | -24.5 | 34.5 | 0 | 0 | 0 | 113 | R191 K199 A338 | R191-P195 VanDerWaalsContact O-CD 3.3Å; R191-P195 WeakPolarHBondContact O-CD 3.47Å; R191-P195 WeakPolarHBondContact O-CG 3.43Å; P195-K199 WeakPolarHBondContact O-CB 3.38Å; P195-K199 PolarHBondContact O-N 3.42Å; P195-A338 HydrophobicContact CB-CB 4.39Å; P195-A338 HydrophobicContact CG-CB 3.96Å |
| 196 | S | 92.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | -179.8 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | K192 I193 F194 Y200 | K192-S196 PolarHBondContact O-OG 2.78Å; I193-S196 WeakPolarHBondContact O-CB 3.24Å; I193-S196 PolarHBondContact O-N 2.85Å; F194-S196 VanDerWaalsContact C-N 3.28Å; F194-S196 PolarHBondContact O-N 2.69Å; S196-Y200 PolarHBondContact O-N 3.33Å |
| 197 | V | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.3 | -46.3 | 177.2 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | F39 I193 F194 K199 Y200 V201 L317 W320 M321 | F39-V197 HydrophobicContact CE1-CG2 4.05Å; F39-V197 HydrophobicContact CZ-CG2 4Å; I193-V197 HydrophobicContact CG2-CG2 3.8Å; I193-V197 WeakPolarHBondContact O-CG2 3.44Å; I193-V197 PolarHBondContact O-N 2.98Å; F194-V197 PolarHBondContact O-N 2.9Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 3.15Å; V197-Y200 PolarHBondContact O-N 3.21Å; V197-V201 HydrophobicContact CG1-CG2 4.47Å; V197-V201 WeakPolarHBondContact O-CG2 3.26Å; V197-V201 PolarHBondContact O-N 3.36Å; V197-L317 HydrophobicContact CG1-CD1 3.95Å; V197-L317 HydrophobicContact CG1-CD2 3.85Å; V197-L317 HydrophobicContact CG1-CG 3.75Å; V197-W320 HydrophobicContact CG1-CZ3 4.48Å; V197-M321 HydrophobicContact CB-CE 3.95Å; V197-M321 HydrophobicContact CG1-CE 3.43Å; V197-M321 VanDerWaalsContact CG1-CE 3.43Å |
| 198 | I | 94.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 179.5 | -64 | 160.8 | 0 | 0 | 0 | 110.1 | F194 V201 V202 F335 A338 L351 | F194-I198 HydrophobicContact CB-CD1 4.21Å; F194-I198 WeakPolarHBondContact O-CB 3.48Å; F194-I198 VanDerWaalsContact O-CD1 3.3Å; F194-I198 WeakPolarHBondContact O-CD1 3.45Å; F194-I198 WeakPolarHBondContact O-CG1 3.22Å; F194-I198 PolarHBondContact O-N 2.68Å; I198-V201 PolarHBondContact O-N 2.8Å; I198-V202 HydrophobicContact CG2-CG2 4.08Å; I198-V202 WeakPolarHBondContact O-CB 3.45Å; I198-V202 WeakPolarHBondContact O-CG2 3.47Å; I198-V202 PolarHBondContact O-N 2.61Å; I198-F335 HydrophobicContact CD1-CD2 3.49Å; I198-F335 VanDerWaalsContact CD1-CD2 3.49Å; I198-F335 HydrophobicContact CD1-CE2 3.81Å; I198-F335 HydrophobicContact CD1-CG 4.16Å; I198-F335 HydrophobicContact CG1-CD2 3.87Å; I198-F335 HydrophobicContact CG1-CE2 3.74Å; I198-A338 HydrophobicContact CD1-CB 3.61Å; I198-L351 HydrophobicContact CG2-CB 4.39Å; I198-L351 HydrophobicContact CG2-CD1 3.83Å |
| 199 | K | 92.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 176.9 | -173.7 | 166 | -176.8 | 162.8 | 0 | 111.6 | Y36 P195 V197 V201 V202 E203 E343 | Y36-K199 HydrophobicContact CE1-CD 4.31Å; Y36-K199 HydrophobicContact CE2-CB 4.12Å; Y36-K199 HydrophobicContact CE2-CD 4.18Å; Y36-K199 HydrophobicContact CE2-CG 4.13Å; P195-K199 WeakPolarHBondContact O-CB 3.38Å; P195-K199 PolarHBondContact O-N 3.42Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 3.15Å; K199-V201 PolarHBondContact O-N 2.71Å; K199-V202 PolarHBondContact O-N 2.82Å; K199-E203 WeakPolarHBondContact CE-OE1 3.33Å; K199-E203 HydrophobicContact CG-CG 4.36Å; K199-E203 WeakPolarHBondContact CG-OE1 3.38Å; K199-E203 IonicContact NZ-OE1 2.81Å; K199-E203 WeakPolarHBondContact O-CB 3.13Å; K199-E203 VanDerWaalsContact O-CG 3.32Å; K199-E203 WeakPolarHBondContact O-CG 3.33Å; K199-E203 PolarHBondContact O-N 3.11Å; K199-E343 IonicContact NZ-OE1 3.9Å; K199-E343 PolarHBondContact NZ-OE1 3.02Å |
| 200 | Y | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 174.8 | 172.9 | -86.7 | 0 | 0 | 0 | 112.8 | L40 L43 S196 V197 M204 L217 H310 F313 A314 L317 | L40-Y200 HydrophobicContact CD2-CD2 3.58Å; L40-Y200 HydrophobicContact CD2-CE2 4.42Å; L40-Y200 HydrophobicContact CD2-CG 4.4Å; L43-Y200 HydrophobicContact CD1-CD1 4.07Å; L43-Y200 HydrophobicContact CD1-CD2 3.67Å; L43-Y200 HydrophobicContact CD1-CE1 4.01Å; L43-Y200 HydrophobicContact CD1-CE2 3.55Å; L43-Y200 HydrophobicContact CD1-CG 3.93Å; S196-Y200 PolarHBondContact O-N 3.33Å; V197-Y200 PolarHBondContact O-N 3.21Å; Y200-M204 HydrophobicContact CD2-CG 4.07Å; Y200-M204 HydrophobicContact CE1-CG 4.16Å; Y200-M204 HydrophobicContact CE2-CG 3.57Å; Y200-M204 WeakPolarHBondContact O-CB 3.23Å; Y200-M204 PolarHBondContact O-N 3.4Å; Y200-L217 HydrophobicContact CE2-CD1 4.01Å; Y200-H310 AromaticContact CE2-ND1 3.94Å; Y200-H310 AromaticContact CZ-ND1 3.82Å; Y200-H310 WeakPolarHBondContact OH-CB 3.37Å; Y200-H310 PolarHBondContact OH-ND1 3.19Å; Y200-H310 PolarHBondContact OH-O 3.3Å; Y200-H310 VanDerWaalsContact OH-O 3.12Å; Y200-F313 AromaticContact CE1-CD1 3.72Å; Y200-F313 HydrophobicContact CE1-CD1 3.72Å; Y200-F313 AromaticContact CE1-CE1 3.97Å; Y200-F313 HydrophobicContact CE1-CE1 3.97Å; Y200-F313 AromaticContact CZ-CD1 3.91Å; Y200-A314 HydrophobicContact CE1-CB 4.13Å; Y200-L317 HydrophobicContact CD1-CD2 3.73Å; Y200-L317 HydrophobicContact CE1-CD2 4.17Å |
| 201 | V | 95.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | V197 I198 K199 T205 L317 | V197-V201 HydrophobicContact CG1-CG2 4.47Å; V197-V201 WeakPolarHBondContact O-CG2 3.26Å; V197-V201 PolarHBondContact O-N 3.36Å; I198-V201 PolarHBondContact O-N 2.8Å; K199-V201 PolarHBondContact O-N 2.71Å; V201-T205 WeakPolarHBondContact O-CB 3.24Å; V201-T205 PolarHBondContact O-N 2.65Å; V201-T205 PolarHBondContact O-OG1 3.14Å; V201-L317 HydrophobicContact CG2-CB 4.11Å; V201-L317 HydrophobicContact CG2-CD2 3.86Å; V201-L317 HydrophobicContact CG2-CG 3.93Å |
| 202 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -54 | 178.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | I198 K199 M204 T205 I206 L351 R354 L355 | I198-V202 HydrophobicContact CG2-CG2 4.08Å; I198-V202 WeakPolarHBondContact O-CB 3.45Å; I198-V202 WeakPolarHBondContact O-CG2 3.47Å; I198-V202 PolarHBondContact O-N 2.61Å; K199-V202 PolarHBondContact O-N 2.82Å; V202-M204 PolarHBondContact O-N 3.37Å; V202-T205 PolarHBondContact O-N 3.21Å; V202-I206 HydrophobicContact CG1-CD1 4.13Å; V202-I206 WeakPolarHBondContact O-CG1 3.28Å; V202-I206 PolarHBondContact O-N 3.45Å; V202-I206 VanDerWaalsContact O-N 3.09Å; V202-L351 HydrophobicContact CB-CD2 4.34Å; V202-L351 HydrophobicContact CG1-CD2 4.14Å; V202-L351 HydrophobicContact CG2-CB 3.99Å; V202-L351 HydrophobicContact CG2-CD2 4.29Å; V202-R354 HydrophobicContact CG1-CB 4.35Å; V202-L355 HydrophobicContact CB-CG 4.47Å; V202-L355 HydrophobicContact CG1-CD2 4.48Å; V202-L355 HydrophobicContact CG1-CG 4.23Å; V202-L355 HydrophobicContact CG2-CD1 3.63Å; V202-L355 HydrophobicContact CG2-CD2 4.49Å; V202-L355 HydrophobicContact CG2-CG 3.96Å |
| 203 | E | 93.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | -173.9 | -73.5 | 173.9 | 167.8 | 0 | 0 | 112.3 | Y36 K199 W207 | Y36-E203 PolarHBondContact OH-OE2 2.73Å; K199-E203 WeakPolarHBondContact CE-OE1 3.33Å; K199-E203 HydrophobicContact CG-CG 4.36Å; K199-E203 WeakPolarHBondContact CG-OE1 3.38Å; K199-E203 IonicContact NZ-OE1 2.81Å; K199-E203 WeakPolarHBondContact O-CB 3.13Å; K199-E203 VanDerWaalsContact O-CG 3.32Å; K199-E203 WeakPolarHBondContact O-CG 3.33Å; K199-E203 PolarHBondContact O-N 3.11Å; E203-W207 WeakPolarHBondContact O-CB 3.09Å; E203-W207 PolarHBondContact O-N 2.92Å |
| 204 | M | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.4 | -32.1 | 177.2 | -70.6 | -49 | -42.7 | 0 | 0 | 112.9 | Y200 V202 I206 W207 L213 P214 L217 H310 Q311 A314 | Y200-M204 HydrophobicContact CD2-CG 4.07Å; Y200-M204 HydrophobicContact CE1-CG 4.16Å; Y200-M204 HydrophobicContact CE2-CG 3.57Å; Y200-M204 WeakPolarHBondContact O-CB 3.23Å; Y200-M204 PolarHBondContact O-N 3.4Å; V202-M204 PolarHBondContact O-N 3.37Å; M204-I206 VanDerWaalsContact C-N 3.33Å; M204-W207 HydrophobicContact CE-CB 4.11Å; M204-W207 HydrophobicContact CE-CG 4.13Å; M204-L213 HydrophobicContact CE-CD2 4.02Å; M204-L213 HydrophobicContact SD-CD2 4.49Å; M204-P214 HydrophobicContact SD-CG 3.91Å; M204-L217 HydrophobicContact SD-CD1 3.73Å; M204-H310 HydrophobicContact CE-CB 3.73Å; M204-H310 HydrophobicContact CG-CB 4.33Å; M204-H310 HydrophobicContact SD-CB 4.23Å; M204-Q311 HydrophobicContact CE-CG 4.33Å; M204-Q311 WeakPolarHBondContact O-CG 3.49Å; M204-A314 HydrophobicContact CB-CB 3.96Å |
| 205 | T | 93.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69 | -29.7 | 177.5 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | V201 V202 L355 L362 A366 | V201-T205 WeakPolarHBondContact O-CB 3.24Å; V201-T205 PolarHBondContact O-N 2.65Å; V201-T205 PolarHBondContact O-OG1 3.14Å; V202-T205 PolarHBondContact O-N 3.21Å; T205-L355 HydrophobicContact CG2-CD2 4.17Å; T205-L362 HydrophobicContact CG2-CD1 4.04Å; T205-L362 HydrophobicContact CG2-CD2 3.66Å; T205-L362 WeakPolarHBondContact O-CD2 3.5Å; T205-A366 HydrophobicContact CG2-CB 4.14Å |
| 206 | I | 93.4 | Very high | 91.5 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 13 | 179.4 | 76.3 | -176.1 | 0 | 0 | 0 | 114.1 | V202 M204 E208 L355 W358 | V202-I206 HydrophobicContact CG1-CD1 4.13Å; V202-I206 WeakPolarHBondContact O-CG1 3.28Å; V202-I206 PolarHBondContact O-N 3.45Å; V202-I206 VanDerWaalsContact O-N 3.09Å; M204-I206 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.13Å; I206-L355 HydrophobicContact CG2-CD2 4.12Å; I206-W358 HydrophobicContact CB-CD2 3.6Å; I206-W358 HydrophobicContact CB-CE3 3.95Å; I206-W358 HydrophobicContact CB-CG 3.83Å; I206-W358 HydrophobicContact CB-CZ2 4.45Å; I206-W358 HydrophobicContact CB-CZ3 4.49Å; I206-W358 HydrophobicContact CG2-CB 3.71Å; I206-W358 HydrophobicContact CG2-CD2 3.74Å; I206-W358 HydrophobicContact CG2-CE3 4.14Å; I206-W358 HydrophobicContact CG2-CG 3.49Å; I206-W358 VanDerWaalsContact CG2-CG 3.49Å |
| 207 | W | 93.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 27% | 0.269 | 22% | 0.216 | S | C | . | . | trans | -72.6 | 113.2 | -175.6 | -166.6 | -102.7 | 0 | 0 | 0 | 112.2 | E203 M204 E209 E212 P214 Q311 | E203-W207 WeakPolarHBondContact O-CB 3.09Å; E203-W207 PolarHBondContact O-N 2.92Å; M204-W207 HydrophobicContact CE-CB 4.11Å; M204-W207 HydrophobicContact CE-CG 4.13Å; W207-E209 HydrophobicContact CZ2-CB 4.18Å; W207-E209 HydrophobicContact CZ2-CG 4.27Å; W207-E212 PolarHBondContact NE1-O 3.26Å; W207-P214 HydrophobicContact CD2-CG 4.09Å; W207-P214 HydrophobicContact CE3-CG 3.88Å; W207-P214 HydrophobicContact CH2-CB 4.05Å; W207-P214 HydrophobicContact CH2-CG 3.74Å; W207-P214 HydrophobicContact CZ2-CB 4.47Å; W207-P214 HydrophobicContact CZ2-CG 3.94Å; W207-P214 VanDerWaalsContact CZ2-N 3.35Å; W207-P214 HydrophobicContact CZ3-CB 4.27Å; W207-P214 HydrophobicContact CZ3-CG 3.7Å; W207-Q311 PolarHBondContact O-NE2 2.92Å | ||
| 208 | E | 89.4 | Confident | 90.8 | Very high | 128 Ų | 128 | 48.7 Ų | 48.7 | 60% | 0.598 | 24% | 0.235 | S | C | * | . | trans | -81.2 | -28.8 | -179 | -74.3 | -171.7 | 158.2 | 0 | 0 | 114.7 | I206 E210 W358 K361 | I206-E208 PolarHBondContact O-N 3.13Å; E208-E210 PolarHBondContact O-N 2.95Å; E208-W358 HydrophobicContact CG-CH2 3.35Å; E208-W358 HydrophobicContact CG-CZ2 3.89Å; E208-W358 HydrophobicContact CG-CZ3 4.41Å; E208-W358 WeakPolarHBondContact OE1-CH2 3.27Å; E208-W358 WeakPolarHBondContact OE1-CZ2 3.44Å; E208-K361 IonicContact OE1-NZ 2.83Å; E208-K361 PolarHBondContact OE1-NZ 3.27Å | ||
| 209 | E | 90.9 | Very high | 89.7 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | trans | -70.6 | 117.3 | -169.2 | -68.8 | -66.9 | 165.3 | 0 | 0 | 111.8 | W207 K211 I307 | W207-E209 HydrophobicContact CZ2-CB 4.18Å; W207-E209 HydrophobicContact CZ2-CG 4.27Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 3.42Å; E209-I307 VanDerWaalsContact O-CD1 3.25Å; E209-I307 WeakPolarHBondContact O-CD1 3.24Å | ||
| 210 | E | 88.9 | Confident | 88.5 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -68 | -23.3 | -177.4 | -68.7 | -173.5 | 140.8 | 0 | 0 | 113.5 | E208 K283 L303 H304 | E208-E210 PolarHBondContact O-N 2.95Å; E210-K283 IonicContact OE1-NZ 2.8Å; E210-K283 PolarHBondContact OE1-NZ 2.79Å; E210-L303 HydrophobicContact CB-CD2 4.19Å; E210-L303 HydrophobicContact CG-CD2 4.03Å; E210-H304 PolarHBondContact O-N 3.24Å |
| 211 | K | 86.8 | Confident | 87.2 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -121.7 | -23.5 | -161.3 | -68.4 | 174.5 | -178.5 | 171.8 | 0 | 115.5 | E209 Y226 Y276 | E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 3.42Å; K211-Y226 HydrophobicContact CG-CE1 4.46Å; K211-Y276 VanDerWaalsContact CE-CE2 3.46Å; K211-Y276 WeakPolarHBondContact CE-OH 3.4Å; K211-Y276 PolarHBondContact NZ-OH 2.76Å |
| 212 | E | 87.8 | Confident | 85.8 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | trans | -130.5 | 135.5 | -174.3 | -57.1 | -152.8 | 147.2 | 0 | 0 | 110.4 | W207 K222 | W207-E212 PolarHBondContact NE1-O 3.26Å; E212-K222 IonicContact OE1-NZ 2.81Å; E212-K222 PolarHBondContact OE1-NZ 2.98Å | ||
| 213 | L | 89.1 | Confident | 84.8 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | trans | -76 | 164.6 | 170.6 | -81.2 | 168.9 | 0 | 0 | 0 | 110.6 | M204 L217 Q218 E306 I307 H310 | M204-L213 HydrophobicContact CE-CD2 4.02Å; M204-L213 HydrophobicContact SD-CD2 4.49Å; L213-L217 HydrophobicContact CB-CB 4.15Å; L213-L217 HydrophobicContact CD1-CB 4.23Å; L213-L217 HydrophobicContact CD2-CD1 4.36Å; L213-Q218 HydrophobicContact CB-CG 4.05Å; L213-Q218 PolarHBondContact O-NE2 2.8Å; L213-E306 HydrophobicContact CD1-CB 3.84Å; L213-I307 HydrophobicContact CD2-CB 4.46Å; L213-I307 HydrophobicContact CD2-CG1 3.79Å; L213-I307 HydrophobicContact CG-CG1 3.86Å; L213-H310 HydrophobicContact CD2-CB 4.23Å | ||
| 214 | P | 89.5 | Confident | 84.2 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | trans | -48.3 | 141.1 | 163.5 | -23.8 | 30.8 | 0 | 0 | 0 | 111.2 | M204 W207 E216 L217 Q218 | M204-P214 HydrophobicContact SD-CG 3.91Å; W207-P214 HydrophobicContact CD2-CG 4.09Å; W207-P214 HydrophobicContact CE3-CG 3.88Å; W207-P214 HydrophobicContact CH2-CB 4.05Å; W207-P214 HydrophobicContact CH2-CG 3.74Å; W207-P214 HydrophobicContact CZ2-CB 4.47Å; W207-P214 HydrophobicContact CZ2-CG 3.94Å; W207-P214 VanDerWaalsContact CZ2-N 3.35Å; W207-P214 HydrophobicContact CZ3-CB 4.27Å; W207-P214 HydrophobicContact CZ3-CG 3.7Å; P214-E216 WeakPolarHBondContact CB-OE2 3.23Å; P214-E216 PolarHBondContact O-N 3.1Å; P214-L217 HydrophobicContact CG-CD1 4.13Å; P214-L217 PolarHBondContact O-N 3.41Å; P214-Q218 PolarHBondContact O-N 3.5Å | ||
| 215 | P | 85.9 | Confident | 84 | Confident | 99 Ų | 99 | 80.6 Ų | 80.6 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -51.1 | -33.4 | -178.3 | -28.7 | 35.6 | 0 | 0 | 0 | 114.2 | L217 Q218 | P215-L217 PolarHBondContact O-N 3.46Å; P215-Q218 PolarHBondContact O-N 3.18Å |
| 216 | E | 84.7 | Confident | 84 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -69.3 | -17.9 | 179.6 | -57.8 | 75.5 | -166.3 | 0 | 0 | 113.5 | L40 P214 | L40-E216 HydrophobicContact CD1-CB 3.58Å; L40-E216 HydrophobicContact CD1-CG 4.07Å; P214-E216 WeakPolarHBondContact CB-OE2 3.23Å; P214-E216 PolarHBondContact O-N 3.1Å |
| 217 | L | 88.5 | Confident | 84 | Confident | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -105 | -7.6 | 177 | -62.9 | 176.6 | 0 | 0 | 0 | 112.9 | L40 A44 Y200 M204 L213 P214 P215 I219 | L40-L217 HydrophobicContact CB-CD2 4.12Å; L40-L217 HydrophobicContact CD2-CD2 4.19Å; L40-L217 WeakPolarHBondContact O-CD2 3.5Å; A44-L217 HydrophobicContact CB-CB 4.38Å; A44-L217 HydrophobicContact CB-CD2 3.88Å; Y200-L217 HydrophobicContact CE2-CD1 4.01Å; M204-L217 HydrophobicContact SD-CD1 3.73Å; L213-L217 HydrophobicContact CB-CB 4.15Å; L213-L217 HydrophobicContact CD1-CB 4.23Å; L213-L217 HydrophobicContact CD2-CD1 4.36Å; P214-L217 HydrophobicContact CG-CD1 4.13Å; P214-L217 PolarHBondContact O-N 3.41Å; P215-L217 PolarHBondContact O-N 3.46Å; L217-I219 VanDerWaalsContact C-N 3.28Å; L217-I219 PolarHBondContact O-N 3.19Å |
| 218 | Q | 83.6 | Confident | 84.1 | Confident | 87 Ų | 87 | 77.1 Ų | 77.1 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | trans | -80.1 | 64.9 | 178 | -64.6 | -168.8 | 23.3 | 0 | 0 | 112.6 | L213 P214 P215 | L213-Q218 HydrophobicContact CB-CG 4.05Å; L213-Q218 PolarHBondContact O-NE2 2.8Å; P214-Q218 PolarHBondContact O-N 3.5Å; P215-Q218 PolarHBondContact O-N 3.18Å | ||
| 219 | I | 72.7 | Confident | 84.3 | Confident | 67 Ų | 67 | 71 Ų | 71 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | trans | -101.8 | -12.4 | -172.8 | -43.7 | -167.8 | 0 | 0 | 0 | 113 | H41 A44 L217 | H41-I219 HydrophobicContact CB-CD1 4.1Å; H41-I219 VanDerWaalsContact CD2-CD1 3.48Å; H41-I219 WeakPolarHBondContact CD2-CD1 3.46Å; A44-I219 HydrophobicContact CB-CB 4.26Å; A44-I219 HydrophobicContact CB-CD1 3.58Å; A44-I219 HydrophobicContact CB-CG1 3.74Å; L217-I219 VanDerWaalsContact C-N 3.28Å; L217-I219 PolarHBondContact O-N 3.19Å | ||
| 220 | R | 67.8 | Low | 84.5 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -108.9 | 159.1 | -178.5 | -66.1 | -177.4 | 172.9 | -141 | -11.9 | 111.9 | Q45 E49 K222 | Q45-R220 VanDerWaalsContact O-CZ 3.25Å; Q45-R220 PolarHBondContact O-NH2 3.46Å; E49-R220 IonicContact OE1-CZ 2.75Å; E49-R220 IonicContact OE1-NH1 3.8Å; E49-R220 PolarHBondContact OE1-NH1 3.15Å; E49-R220 IonicContact OE1-NH2 3.34Å; E49-R220 PolarHBondContact OE1-NH2 3.36Å; R220-K222 PolarHBondContact O-N 3.49Å |
| 221 | E | 67.1 | Low | 84.7 | Confident | 190 Ų | 190 | 64.2 Ų | 64.2 | 89% | 0.888 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 129.5 | 164.7 | -68.7 | -171.5 | 153.2 | 0 | 0 | 109.1 | N223 | E221-N223 PolarHBondContact O-N 3.17Å; E221-N223 VanDerWaalsContact O-N 3.15Å |
| 222 | K | 66.8 | Low | 84.9 | Confident | 116 Ų | 116 | 61.1 Ų | 61.1 | 50% | 0.504 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 119.6 | -176.9 | -72.5 | -171.7 | 177.8 | -174.4 | 0 | 110.7 | E212 R220 | E212-K222 IonicContact OE1-NZ 2.81Å; E212-K222 PolarHBondContact OE1-NZ 2.98Å; R220-K222 PolarHBondContact O-N 3.49Å |
| 223 | N | 72.8 | Confident | 84.7 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 141.2 | 168.5 | 77.4 | 71.4 | 0 | 0 | 0 | 109.6 | E221 R225 H304 S305 E306 | E221-N223 PolarHBondContact O-N 3.17Å; E221-N223 VanDerWaalsContact O-N 3.15Å; N223-R225 PolarHBondContact O-N 2.9Å; N223-R225 WeakPolarHBondContact OD1-CB 3.49Å; N223-R225 PolarHBondContact OD1-N 2.65Å; N223-R225 VanDerWaalsContact OD1-N 3.09Å; N223-H304 PolarHBondContact O-NE2 2.85Å; N223-S305 PolarHBondContact ND2-OG 3.23Å; N223-S305 PolarHBondContact OD1-OG 3.4Å; N223-S305 VanDerWaalsContact OD1-OG 3.04Å; N223-E306 WeakPolarHBondContact ND2-CG 3.49Å; N223-E306 PolarHBondContact ND2-OE1 3.3Å |
| 224 | E | 81.5 | Confident | 84.4 | Confident | 165 Ų | 165 | 60.9 Ų | 60.9 | 77% | 0.771 | 29% | 0.287 | S | S | * | . | trans | -84.4 | 35.9 | -179 | -64.5 | -165.5 | 150.8 | 0 | 0 | 113.4 | ||||
| 225 | R | 89.2 | Confident | 84 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | trans | -105.9 | 123.3 | -175.6 | -162.2 | 179.6 | -176.6 | -163.9 | -3.4 | 112.2 | F52 N223 S305 | F52-R225 PolarHBondContact O-NH1 3.36Å; N223-R225 PolarHBondContact O-N 2.9Å; N223-R225 WeakPolarHBondContact OD1-CB 3.49Å; N223-R225 PolarHBondContact OD1-N 2.65Å; N223-R225 VanDerWaalsContact OD1-N 3.09Å; R225-S305 WeakPolarHBondContact O-CB 3.45Å; R225-S305 PolarHBondContact O-N 2.65Å; R225-S305 PolarHBondContact O-OG 3.4Å; R225-S305 VanDerWaalsContact O-OG 3.08Å | ||
| 226 | Y | 93.1 | Very high | 84.1 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 159.3 | -179.5 | -63.8 | -97.8 | 0 | 0 | 0 | 110.5 | K211 A273 G274 Y276 C279 V302 L303 H304 | K211-Y226 HydrophobicContact CG-CE1 4.46Å; Y226-A273 WeakPolarHBondContact O-CA 3.26Å; Y226-G274 PolarHBondContact N-O 3.33Å; Y226-G274 PolarHBondContact O-N 3.1Å; Y226-Y276 AromaticContact CD1-CD2 3.76Å; Y226-Y276 HydrophobicContact CD1-CD2 3.76Å; Y226-Y276 HydrophobicContact CD2-CD2 4.49Å; Y226-Y276 AromaticContact CE1-CD2 3.77Å; Y226-Y276 HydrophobicContact CE1-CD2 3.77Å; Y226-Y276 HydrophobicContact CG-CD2 4.13Å; Y226-C279 PolarHBondContact O-SG 3.09Å; Y226-V302 HydrophobicContact CD1-CG1 4.14Å; Y226-V302 HydrophobicContact CG-CG1 4.37Å; Y226-L303 CarbonylContact C-O 3.6Å; Y226-L303 WeakPolarHBondContact CA-O 3.42Å; Y226-H304 HydrophobicContact CD1-CB 4.31Å; Y226-H304 HydrophobicContact CE1-CB 4.14Å; Y226-H304 AromaticContact CE1-CD2 3.87Å; Y226-H304 AromaticContact CZ-CD2 3.8Å |
| 227 | Y | 94.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.4 | 170.6 | -64.8 | -68.7 | 0 | 0 | 0 | 109.9 | F52 E54 M55 A270 K272 A273 V302 L303 M308 | F52-Y227 PolarHBondContact O-OH 3.3Å; E54-Y227 HydrophobicContact CB-CE1 4.23Å; E54-Y227 HydrophobicContact CB-CE2 4.15Å; E54-Y227 HydrophobicContact CG-CE2 4.28Å; E54-Y227 PolarHBondContact N-OH 2.91Å; M55-Y227 HydrophobicContact CG-CD1 4.49Å; M55-Y227 HydrophobicContact CG-CE1 4.21Å; Y227-A270 HydrophobicContact CD1-CB 3.92Å; Y227-A270 HydrophobicContact CG-CB 4.12Å; Y227-K272 CarbonylContact C-O 3.42Å; Y227-K272 WeakPolarHBondContact CA-O 3.29Å; Y227-A273 HydrophobicContact CD1-CB 3.54Å; Y227-A273 HydrophobicContact CE1-CB 3.51Å; Y227-V302 CarbonylContact O-C 3.59Å; Y227-V302 WeakPolarHBondContact O-CA 3.45Å; Y227-L303 PolarHBondContact N-O 3.25Å; Y227-L303 PolarHBondContact O-N 3.18Å; Y227-M308 HydrophobicContact CD2-CB 4.21Å; Y227-M308 HydrophobicContact CD2-SD 3.62Å; Y227-M308 HydrophobicContact CE2-SD 4.26Å; Y227-M308 HydrophobicContact CG-SD 3.99Å |
| 228 | C | 95.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 118 | 159.7 | -172 | 0 | 0 | 0 | 0 | 107.2 | A270 V271 K272 C279 V300 | C228-A270 WeakPolarHBondContact O-CA 3.32Å; C228-V271 HydrophobicContact CB-CG2 4.41Å; C228-V271 WeakPolarHBondContact O-CG2 3.33Å; C228-V271 PolarHBondContact O-N 3.43Å; C228-K272 HydrophobicContact CB-CB 3.9Å; C228-K272 PolarHBondContact N-O 3.03Å; C228-K272 PolarHBondContact O-N 2.86Å; C228-C279 HydrophobicContact CB-CB 4.15Å; C228-V300 WeakPolarHBondContact SG-CG1 3.39Å |
| 229 | V | 94.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.8 | -173.6 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | F231 R268 R269 V300 E301 L303 M308 | V229-F231 HydrophobicContact CB-CE2 4.13Å; V229-F231 HydrophobicContact CG1-CD2 4.17Å; V229-F231 HydrophobicContact CG1-CE2 3.71Å; V229-F231 HydrophobicContact CG1-CZ 4.11Å; V229-R268 HydrophobicContact CG1-CB 4.07Å; V229-R268 HydrophobicContact CG1-CG 4.41Å; V229-R269 WeakPolarHBondContact CA-O 3.33Å; V229-V300 WeakPolarHBondContact O-CA 3.47Å; V229-E301 PolarHBondContact N-O 3.1Å; V229-E301 PolarHBondContact O-N 3.46Å; V229-L303 HydrophobicContact CG2-CB 4.46Å; V229-L303 HydrophobicContact CG2-CD1 4.17Å; V229-L303 HydrophobicContact CG2-CG 4.31Å; V229-M308 HydrophobicContact CG2-SD 3.93Å |
| 230 | L | 94.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.3 | 172.6 | 173.1 | 60.4 | 0 | 0 | 0 | 108.6 | V241 L245 I263 R268 R269 V271 L298 V300 | L230-V241 HydrophobicContact CD2-CG1 3.95Å; L230-L245 HydrophobicContact CD2-CD1 4.14Å; L230-L245 HydrophobicContact CD2-CD2 3.78Å; L230-L245 HydrophobicContact CD2-CG 4.12Å; L230-I263 HydrophobicContact CB-CD1 4.14Å; L230-I263 HydrophobicContact CD2-CD1 3.56Å; L230-I263 HydrophobicContact CG-CD1 3.79Å; L230-R268 CarbonylContact O-C 3.58Å; L230-R268 VanDerWaalsContact O-CA 3.28Å; L230-R268 WeakPolarHBondContact O-CA 3.4Å; L230-R269 PolarHBondContact N-O 3.05Å; L230-R269 PolarHBondContact O-N 3.2Å; L230-V271 HydrophobicContact CB-CG1 4Å; L230-V271 HydrophobicContact CB-CG2 4.35Å; L230-L298 HydrophobicContact CD1-CB 3.86Å; L230-L298 HydrophobicContact CD1-CD1 4.27Å; L230-L298 HydrophobicContact CD1-CD2 4.33Å; L230-L298 HydrophobicContact CD1-CG 4.39Å; L230-V300 HydrophobicContact CB-CG2 4.47Å; L230-V300 HydrophobicContact CD1-CG2 3.66Å |
| 231 | F | 93.2 | Very high | 86.8 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 157.5 | 179 | -70.4 | -105 | 0 | 0 | 0 | 110.8 | V229 R268 H299 E301 | V229-F231 HydrophobicContact CB-CE2 4.13Å; V229-F231 HydrophobicContact CG1-CD2 4.17Å; V229-F231 HydrophobicContact CG1-CE2 3.71Å; V229-F231 HydrophobicContact CG1-CZ 4.11Å; F231-R268 HydrophobicContact CB-CB 4.5Å; F231-R268 HydrophobicContact CD1-CB 3.66Å; F231-R268 HydrophobicContact CD1-CG 4.47Å; F231-R268 HydrophobicContact CE1-CB 4Å; F231-R268 VanDerWaalsContact CE1-CD 3.48Å; F231-R268 HydrophobicContact CE1-CG 4.38Å; F231-R268 HydrophobicContact CG-CB 4Å; F231-H299 HydrophobicContact CB-CB 4.36Å; F231-H299 AromaticContact CD2-CD2 3.81Å; F231-H299 AromaticContact CD2-NE2 3.97Å; F231-H299 AromaticContact CG-CD2 3.6Å; F231-H299 PolarHBondContact N-O 3.35Å; F231-E301 HydrophobicContact CD2-CG 4.39Å; F231-E301 HydrophobicContact CE2-CB 3.93Å; F231-E301 HydrophobicContact CE2-CG 3.76Å; F231-E301 HydrophobicContact CZ-CG 4.46Å; F231-E301 WeakPolarHBondContact CZ-OE2 3.34Å |
| 232 | N | 90.8 | Very high | 88.1 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 128.4 | 170.9 | -165.7 | 70.5 | 0 | 0 | 0 | 109.2 | E234 I263 D264 G267 | N232-E234 PolarHBondContact ND2-OE1 3.19Å; N232-I263 HydrophobicContact CB-CG2 3.69Å; N232-D264 WeakPolarHBondContact OD1-CA 3.32Å; N232-G267 PolarHBondContact N-O 3.29Å |
| 233 | D | 82.3 | Confident | 89.3 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 9% | 0.086 | 25% | 0.25 | C | C | . | . | trans | -113.5 | 147.1 | 156.1 | 64.2 | 66.6 | 0 | 0 | 0 | 107.8 | H235 H236 D407 | D233-H235 PolarHBondContact O-N 3.35Å; D233-H235 WeakPolarHBondContact OD1-CB 3.27Å; D233-H235 PolarHBondContact OD1-N 2.9Å; D233-H235 VanDerWaalsContact OD1-N 3.1Å; D233-H236 IonicContact OD1-CE1 1.95Å; D233-H236 IonicContact OD1-CG 3.73Å; D233-H236 PolarHBondContact OD1-N 3.47Å; D233-H236 IonicContact OD1-ND1 3.79Å; D233-H236 PolarHBondContact OD1-ND1 2.98Å; D233-H236 IonicContact OD2-CE1 2.75Å; D233-H236 IonicContact OD2-CG 3.11Å; D233-H236 IonicContact OD2-ND1 2.91Å; D233-H236 PolarHBondContact OD2-ND1 2.95Å; D233-D407 WeakPolarHBondContact CA-OD2 3.21Å; D233-D407 WeakPolarHBondContact CB-OD2 3.31Å | ||
| 234 | E | 82.9 | Confident | 90.2 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.7 | 16.9 | 178 | -54.6 | -71 | 168.3 | 0 | 0 | 111.4 | N232 K364 | N232-E234 PolarHBondContact ND2-OE1 3.19Å; E234-K364 IonicContact OE1-NZ 2.27Å; E234-K364 PolarHBondContact OE1-NZ 3.46Å; E234-K364 IonicContact OE2-NZ 3.06Å |
| 235 | H | 81.9 | Confident | 90.8 | Very high | 129 Ų | 129 | 43 Ų | 43 | 60% | 0.597 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -99.7 | -38.8 | -178 | -71 | 103.1 | 0 | 0 | 0 | 113 | D233 D407 | D233-H235 PolarHBondContact O-N 3.35Å; D233-H235 WeakPolarHBondContact OD1-CB 3.27Å; D233-H235 PolarHBondContact OD1-N 2.9Å; D233-H235 VanDerWaalsContact OD1-N 3.1Å; H235-D407 WeakPolarHBondContact CE1-CB 3.2Å; H235-D407 WeakPolarHBondContact ND1-CB 3.15Å |
| 236 | H | 87.3 | Confident | 91.1 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -83.7 | 138.8 | -177.4 | -70.7 | 91.4 | 0 | 0 | 0 | 112.5 | D233 V241 S294 H296 L298 | D233-H236 IonicContact OD1-CE1 1.95Å; D233-H236 IonicContact OD1-CG 3.73Å; D233-H236 PolarHBondContact OD1-N 3.47Å; D233-H236 IonicContact OD1-ND1 3.79Å; D233-H236 PolarHBondContact OD1-ND1 2.98Å; D233-H236 IonicContact OD2-CE1 2.75Å; D233-H236 IonicContact OD2-CG 3.11Å; D233-H236 IonicContact OD2-ND1 2.91Å; D233-H236 PolarHBondContact OD2-ND1 2.95Å; H236-V241 HydrophobicContact CB-CG2 3.9Å; H236-S294 PolarHBondContact NE2-OG 2.86Å; H236-S294 VanDerWaalsContact NE2-OG 3.08Å; H236-H296 PolarHBondContact CE1-O 3Å; H236-H296 PolarHBondContact NE2-O 3.44Å; H236-L298 HydrophobicContact CB-CD2 4.03Å; H236-L298 WeakPolarHBondContact ND1-CD2 3.34Å |
| 237 | S | 90.3 | Very high | 91 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 32% | 0.315 | 22% | 0.218 | S | C | . | . | trans | -73.4 | 154.2 | 171.3 | 76.4 | 0 | 0 | 0 | 0 | 110.9 | D239 H240 V241 | S237-D239 PolarHBondContact O-N 3.03Å; S237-H240 WeakPolarHBondContact O-CB 3.43Å; S237-H240 PolarHBondContact O-N 2.96Å; S237-H240 PolarHBondContact OG-CD2 2.7Å; S237-H240 PolarHBondContact OG-N 2.69Å; S237-H240 PolarHBondContact OG-ND1 2.85Å; S237-H240 PolarHBondContact OG-NE2 2.99Å; S237-V241 PolarHBondContact O-N 3.14Å; S237-V241 VanDerWaalsContact O-N 3.15Å | ||
| 238 | Y | 91.9 | Very high | 90.9 | Very high | 110 Ų | 110 | 47.9 Ų | 47.9 | 43% | 0.431 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.1 | -41.5 | 175.5 | -82.1 | -124.4 | 0 | 0 | 0 | 111.3 | H240 V241 I242 T260 D264 | Y238-H240 VanDerWaalsContact C-N 3.34Å; Y238-H240 PolarHBondContact O-N 3.41Å; Y238-V241 PolarHBondContact O-N 3.08Å; Y238-I242 WeakPolarHBondContact O-CB 3.36Å; Y238-I242 WeakPolarHBondContact O-CD1 3.45Å; Y238-I242 WeakPolarHBondContact O-CG1 3.26Å; Y238-I242 PolarHBondContact O-N 3.07Å; Y238-T260 HydrophobicContact CD1-CG2 3.67Å; Y238-T260 HydrophobicContact CE1-CG2 4.22Å; Y238-T260 HydrophobicContact CG-CG2 3.91Å; Y238-D264 VanDerWaalsContact OH-CB 3.31Å; Y238-D264 WeakPolarHBondContact OH-CB 3.4Å; Y238-D264 PolarHBondContact OH-OD2 2.83Å |
| 239 | D | 90.8 | Very high | 90.7 | Very high | 125 Ų | 125 | 49.9 Ų | 49.9 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.9 | -35.8 | 179.5 | -65.7 | -35 | 0 | 0 | 0 | 112.6 | S237 Y243 | S237-D239 PolarHBondContact O-N 3.03Å; D239-Y243 VanDerWaalsContact O-CB 3.3Å; D239-Y243 WeakPolarHBondContact O-CB 3.38Å; D239-Y243 PolarHBondContact O-N 3.38Å |
| 240 | H | 90.3 | Very high | 90.5 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 176 | -61.5 | 173.6 | 0 | 0 | 0 | 111.6 | S237 Y238 Y243 S244 V293 | S237-H240 WeakPolarHBondContact O-CB 3.43Å; S237-H240 PolarHBondContact O-N 2.96Å; S237-H240 PolarHBondContact OG-CD2 2.7Å; S237-H240 PolarHBondContact OG-N 2.69Å; S237-H240 PolarHBondContact OG-ND1 2.85Å; S237-H240 PolarHBondContact OG-NE2 2.99Å; Y238-H240 VanDerWaalsContact C-N 3.34Å; Y238-H240 PolarHBondContact O-N 3.41Å; H240-Y243 PolarHBondContact O-N 3.37Å; H240-S244 WeakPolarHBondContact O-CB 3.21Å; H240-S244 PolarHBondContact O-N 3.04Å; H240-S244 PolarHBondContact O-OG 3.26Å; H240-V293 HydrophobicContact CB-CG1 4.36Å |
| 241 | V | 92.3 | Very high | 90.3 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | L230 H236 S237 Y238 Y243 S244 L245 T260 L298 | L230-V241 HydrophobicContact CD2-CG1 3.95Å; H236-V241 HydrophobicContact CB-CG2 3.9Å; S237-V241 PolarHBondContact O-N 3.14Å; S237-V241 VanDerWaalsContact O-N 3.15Å; Y238-V241 PolarHBondContact O-N 3.08Å; V241-Y243 PolarHBondContact O-N 3.03Å; V241-S244 PolarHBondContact O-N 3.44Å; V241-L245 HydrophobicContact CG1-CD1 3.94Å; V241-L245 HydrophobicContact CG1-CG 4.41Å; V241-L245 WeakPolarHBondContact O-CG 3.47Å; V241-L245 PolarHBondContact O-N 3.1Å; V241-T260 HydrophobicContact CB-CG2 3.95Å; V241-T260 HydrophobicContact CG1-CG2 3.95Å; V241-L298 HydrophobicContact CG2-CD2 4.06Å |
| 242 | I | 93.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 176.4 | -70.6 | 163.1 | 0 | 0 | 0 | 110.5 | Y238 S244 L245 Q246 L253 A256 Q257 T260 | Y238-I242 WeakPolarHBondContact O-CB 3.36Å; Y238-I242 WeakPolarHBondContact O-CD1 3.45Å; Y238-I242 WeakPolarHBondContact O-CG1 3.26Å; Y238-I242 PolarHBondContact O-N 3.07Å; I242-S244 PolarHBondContact O-N 3.42Å; I242-L245 PolarHBondContact O-N 3.21Å; I242-Q246 HydrophobicContact CG2-CG 4.46Å; I242-Q246 WeakPolarHBondContact O-CG 3.38Å; I242-Q246 PolarHBondContact O-N 3.13Å; I242-L253 HydrophobicContact CG2-CD1 3.5Å; I242-A256 HydrophobicContact CG2-CB 4.05Å; I242-Q257 HydrophobicContact CD1-CG 3.66Å; I242-Q257 HydrophobicContact CG1-CG 4.22Å; I242-T260 HydrophobicContact CG1-CG2 4.35Å; I242-T260 WeakPolarHBondContact CG1-OG1 3.29Å |
| 243 | Y | 92.3 | Very high | 90.4 | Very high | 98 Ų | 98 | 67.3 Ų | 67.3 | 38% | 0.384 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 178.9 | 175.2 | -89.5 | 0 | 0 | 0 | 112.3 | D239 H240 V241 Q246 R247 V293 | D239-Y243 VanDerWaalsContact O-CB 3.3Å; D239-Y243 WeakPolarHBondContact O-CB 3.38Å; D239-Y243 PolarHBondContact O-N 3.38Å; H240-Y243 PolarHBondContact O-N 3.37Å; V241-Y243 PolarHBondContact O-N 3.03Å; Y243-Q246 PolarHBondContact O-N 3.06Å; Y243-R247 HydrophobicContact CD1-CG 4.41Å; Y243-R247 HydrophobicContact CE1-CG 4.03Å; Y243-R247 HydrophobicContact CE2-CG 4.23Å; Y243-R247 VanDerWaalsContact O-CG 3.3Å; Y243-R247 WeakPolarHBondContact O-CG 3.48Å; Y243-R247 PolarHBondContact O-N 2.9Å; Y243-R247 VanDerWaalsContact O-N 3.13Å; Y243-V293 HydrophobicContact CD1-CG2 3.69Å; Y243-V293 HydrophobicContact CE1-CG2 3.63Å |
| 244 | S | 92.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | -178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | H240 V241 I242 R247 A248 | H240-S244 WeakPolarHBondContact O-CB 3.21Å; H240-S244 PolarHBondContact O-N 3.04Å; H240-S244 PolarHBondContact O-OG 3.26Å; V241-S244 PolarHBondContact O-N 3.44Å; I242-S244 PolarHBondContact O-N 3.42Å; S244-R247 PolarHBondContact O-N 2.8Å; S244-A248 WeakPolarHBondContact O-CB 3.34Å; S244-A248 PolarHBondContact O-N 2.9Å |
| 245 | L | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 176.2 | -72.3 | 173.9 | 0 | 0 | 0 | 112.5 | L230 V241 I242 R247 A248 L249 C251 A256 H259 V271 I286 | L230-L245 HydrophobicContact CD2-CD1 4.14Å; L230-L245 HydrophobicContact CD2-CD2 3.78Å; L230-L245 HydrophobicContact CD2-CG 4.12Å; V241-L245 HydrophobicContact CG1-CD1 3.94Å; V241-L245 HydrophobicContact CG1-CG 4.41Å; V241-L245 WeakPolarHBondContact O-CG 3.47Å; V241-L245 PolarHBondContact O-N 3.1Å; I242-L245 PolarHBondContact O-N 3.21Å; L245-R247 VanDerWaalsContact C-N 3.25Å; L245-R247 PolarHBondContact O-N 3.3Å; L245-A248 PolarHBondContact O-N 3.42Å; L245-L249 HydrophobicContact CD2-CD1 3.73Å; L245-L249 WeakPolarHBondContact O-CB 3.32Å; L245-L249 PolarHBondContact O-N 3.27Å; L245-C251 PolarHBondContact O-SG 3.21Å; L245-A256 HydrophobicContact CB-CB 4.19Å; L245-H259 HydrophobicContact CD1-CB 3.87Å; L245-V271 HydrophobicContact CD2-CB 4.21Å; L245-V271 HydrophobicContact CD2-CG1 4.01Å; L245-V271 HydrophobicContact CD2-CG2 4.37Å; L245-I286 HydrophobicContact CD2-CD1 4.27Å |
| 246 | Q | 94.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 177.1 | -72.3 | -160.6 | -81.6 | 0 | 0 | 112.4 | I242 Y243 D250 C251 A256 | I242-Q246 HydrophobicContact CG2-CG 4.46Å; I242-Q246 WeakPolarHBondContact O-CG 3.38Å; I242-Q246 PolarHBondContact O-N 3.13Å; Y243-Q246 PolarHBondContact O-N 3.06Å; Q246-D250 WeakPolarHBondContact O-CA 3.33Å; Q246-D250 PolarHBondContact O-N 2.98Å; Q246-C251 PolarHBondContact NE2-O 3.41Å; Q246-A256 HydrophobicContact CG-CB 3.69Å |
| 247 | R | 91.3 | Very high | 92.1 | Very high | 158 Ų | 158 | 66.8 Ų | 66.8 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -79.6 | -39.1 | -178.1 | -67.3 | -71.6 | 165.7 | -169.6 | -6.7 | 113.6 | Y243 S244 L245 H289 | Y243-R247 HydrophobicContact CD1-CG 4.41Å; Y243-R247 HydrophobicContact CE1-CG 4.03Å; Y243-R247 HydrophobicContact CE2-CG 4.23Å; Y243-R247 VanDerWaalsContact O-CG 3.3Å; Y243-R247 WeakPolarHBondContact O-CG 3.48Å; Y243-R247 PolarHBondContact O-N 2.9Å; Y243-R247 VanDerWaalsContact O-N 3.13Å; S244-R247 PolarHBondContact O-N 2.8Å; L245-R247 VanDerWaalsContact C-N 3.25Å; L245-R247 PolarHBondContact O-N 3.3Å; R247-H289 HydrophobicContact CB-CB 4.39Å; R247-H289 VanDerWaalsContact CB-CD2 3.43Å; R247-H289 WeakPolarHBondContact CB-CD2 3.28Å |
| 248 | A | 92.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 69.4 Ų | 69.4 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -83 | -23.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | S244 L245 D285 I286 | S244-A248 WeakPolarHBondContact O-CB 3.34Å; S244-A248 PolarHBondContact O-N 2.9Å; L245-A248 PolarHBondContact O-N 3.42Å; A248-D285 HydrophobicContact CB-CB 3.75Å; A248-I286 HydrophobicContact CB-CB 4.24Å; A248-I286 HydrophobicContact CB-CG1 3.47Å; A248-I286 VanDerWaalsContact CB-CG1 3.47Å |
| 249 | L | 91.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -114.5 | -5.5 | -175.8 | -54.8 | 174.9 | 0 | 0 | 0 | 114 | L245 C251 V271 K272 A282 | L245-L249 HydrophobicContact CD2-CD1 3.73Å; L245-L249 WeakPolarHBondContact O-CB 3.32Å; L245-L249 PolarHBondContact O-N 3.27Å; L249-C251 HydrophobicContact CB-CB 4.33Å; L249-C251 PolarHBondContact O-N 2.91Å; L249-V271 HydrophobicContact CD1-CB 3.87Å; L249-V271 HydrophobicContact CD1-CG2 4.16Å; L249-K272 HydrophobicContact CD2-CB 4.25Å; L249-K272 HydrophobicContact CD2-CD 4.18Å; L249-A282 HydrophobicContact CD2-CB 4.04Å |
| 250 | D | 89.8 | Confident | 92.4 | Very high | 158 Ų | 158 | 58.8 Ų | 58.8 | 85% | 0.845 | 29% | 0.291 | S | S | * | . | trans | 53.7 | 37.6 | -174.2 | -156.1 | 32.5 | 0 | 0 | 0 | 113 | Q246 | Q246-D250 WeakPolarHBondContact O-CA 3.33Å; Q246-D250 PolarHBondContact O-N 2.98Å | ||
| 251 | C | 91.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | trans | -96.9 | 157.9 | -173.6 | 65.2 | 0 | 0 | 0 | 0 | 114 | L245 Q246 L249 E255 | L245-C251 PolarHBondContact O-SG 3.21Å; Q246-C251 PolarHBondContact NE2-O 3.41Å; L249-C251 HydrophobicContact CB-CB 4.33Å; L249-C251 PolarHBondContact O-N 2.91Å; C251-E255 HydrophobicContact CB-CB 4.44Å; C251-E255 HydrophobicContact CB-CG 4.31Å; C251-E255 WeakPolarHBondContact CB-OE2 3.38Å | ||
| 252 | E | 93.4 | Very high | 92.3 | Very high | 150 Ų | 150 | 59.2 Ų | 59.2 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | trans | -69.6 | 154.3 | 177.7 | -69.7 | -162.4 | 174.1 | 0 | 0 | 112.3 | A254 E255 A256 | E252-A254 VanDerWaalsContact C-N 3.25Å; E252-A254 PolarHBondContact O-N 3.36Å; E252-E255 WeakPolarHBondContact O-CB 3.42Å; E252-E255 PolarHBondContact O-N 3.4Å; E252-A256 PolarHBondContact O-N 2.99Å | ||
| 253 | L | 92.4 | Very high | 92.3 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 45% | 0.445 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.6 | -39.3 | -179.6 | 177.7 | 61.8 | 0 | 0 | 0 | 112.5 | I242 E255 Q257 | I242-L253 HydrophobicContact CG2-CD1 3.5Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-Q257 HydrophobicContact CD1-CG 4.28Å; L253-Q257 WeakPolarHBondContact O-CB 3.16Å; L253-Q257 VanDerWaalsContact O-CG 3.23Å; L253-Q257 WeakPolarHBondContact O-CG 3.46Å; L253-Q257 PolarHBondContact O-N 3.32Å |
| 254 | A | 92.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | E252 L258 | E252-A254 VanDerWaalsContact C-N 3.25Å; E252-A254 PolarHBondContact O-N 3.36Å; A254-L258 VanDerWaalsContact O-CB 3.27Å; A254-L258 WeakPolarHBondContact O-CB 3.26Å; A254-L258 PolarHBondContact O-N 3.01Å |
| 255 | E | 91.9 | Very high | 92 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70 | -47.5 | 176.5 | -174.9 | 174.4 | -166.4 | 0 | 0 | 110.6 | C251 E252 L253 Q257 L258 H259 | C251-E255 HydrophobicContact CB-CB 4.44Å; C251-E255 HydrophobicContact CB-CG 4.31Å; C251-E255 WeakPolarHBondContact CB-OE2 3.38Å; E252-E255 WeakPolarHBondContact O-CB 3.42Å; E252-E255 PolarHBondContact O-N 3.4Å; L253-E255 VanDerWaalsContact C-N 3.34Å; E255-Q257 VanDerWaalsContact C-N 3.34Å; E255-Q257 PolarHBondContact O-N 3.26Å; E255-L258 PolarHBondContact O-N 3.33Å; E255-L258 VanDerWaalsContact O-N 3.12Å; E255-H259 PolarHBondContact O-CD2 2.91Å; E255-H259 PolarHBondContact O-N 2.81Å |
| 256 | A | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I242 L245 Q246 E252 H259 T260 | I242-A256 HydrophobicContact CG2-CB 4.05Å; L245-A256 HydrophobicContact CB-CB 4.19Å; Q246-A256 HydrophobicContact CG-CB 3.69Å; E252-A256 PolarHBondContact O-N 2.99Å; A256-H259 PolarHBondContact O-N 3.49Å; A256-T260 WeakPolarHBondContact O-CB 3.44Å; A256-T260 PolarHBondContact O-N 3.46Å; A256-T260 PolarHBondContact O-OG1 3.16Å |
| 257 | Q | 93.6 | Very high | 91.4 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 42% | 0.416 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 173.5 | -78.7 | 173.4 | -18.2 | 0 | 0 | 112.4 | I242 L253 E255 T260 T261 | I242-Q257 HydrophobicContact CD1-CG 3.66Å; I242-Q257 HydrophobicContact CG1-CG 4.22Å; L253-Q257 HydrophobicContact CD1-CG 4.28Å; L253-Q257 WeakPolarHBondContact O-CB 3.16Å; L253-Q257 VanDerWaalsContact O-CG 3.23Å; L253-Q257 WeakPolarHBondContact O-CG 3.46Å; L253-Q257 PolarHBondContact O-N 3.32Å; E255-Q257 VanDerWaalsContact C-N 3.34Å; E255-Q257 PolarHBondContact O-N 3.26Å; Q257-T260 PolarHBondContact O-N 3.16Å; Q257-T261 WeakPolarHBondContact O-CB 3.36Å; Q257-T261 PolarHBondContact O-N 2.92Å; Q257-T261 PolarHBondContact O-OG1 3.37Å |
| 258 | L | 92.1 | Very high | 91.5 | Very high | 100 Ų | 100 | 58.8 Ų | 58.8 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.3 | -34.7 | 178.5 | -178.4 | 139 | 0 | 0 | 0 | 112.2 | A254 E255 A262 R269 | A254-L258 VanDerWaalsContact O-CB 3.27Å; A254-L258 WeakPolarHBondContact O-CB 3.26Å; A254-L258 PolarHBondContact O-N 3.01Å; E255-L258 PolarHBondContact O-N 3.33Å; E255-L258 VanDerWaalsContact O-N 3.12Å; L258-A262 WeakPolarHBondContact O-CB 3.35Å; L258-A262 PolarHBondContact O-N 2.95Å; L258-R269 PolarHBondContact O-NH1 2.99Å |
| 259 | H | 92.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -54.7 | 168.6 | -78.3 | -69.5 | 0 | 0 | 0 | 111.3 | L245 E255 A256 T261 A262 I263 R269 | L245-H259 HydrophobicContact CD1-CB 3.87Å; E255-H259 PolarHBondContact O-CD2 2.91Å; E255-H259 PolarHBondContact O-N 2.81Å; A256-H259 PolarHBondContact O-N 3.49Å; H259-T261 VanDerWaalsContact C-N 3.34Å; H259-T261 PolarHBondContact O-N 2.99Å; H259-A262 PolarHBondContact O-N 3.48Å; H259-A262 VanDerWaalsContact O-N 3.07Å; H259-I263 HydrophobicContact CB-CD1 4.47Å; H259-I263 WeakPolarHBondContact O-CD1 3.26Å; H259-I263 VanDerWaalsContact O-CG1 3.3Å; H259-I263 WeakPolarHBondContact O-CG1 3.3Å; H259-I263 PolarHBondContact O-N 3.3Å; H259-R269 PolarHBondContact ND1-NE 2.68Å |
| 260 | T | 93.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -45.1 | -178 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | Y238 V241 I242 A256 Q257 A262 I263 D264 | Y238-T260 HydrophobicContact CD1-CG2 3.67Å; Y238-T260 HydrophobicContact CE1-CG2 4.22Å; Y238-T260 HydrophobicContact CG-CG2 3.91Å; V241-T260 HydrophobicContact CB-CG2 3.95Å; V241-T260 HydrophobicContact CG1-CG2 3.95Å; I242-T260 HydrophobicContact CG1-CG2 4.35Å; I242-T260 WeakPolarHBondContact CG1-OG1 3.29Å; A256-T260 WeakPolarHBondContact O-CB 3.44Å; A256-T260 PolarHBondContact O-N 3.46Å; A256-T260 PolarHBondContact O-OG1 3.16Å; Q257-T260 PolarHBondContact O-N 3.16Å; T260-A262 VanDerWaalsContact C-N 3.31Å; T260-A262 PolarHBondContact O-N 2.91Å; T260-I263 PolarHBondContact O-N 2.91Å; T260-D264 PolarHBondContact O-N 3.33Å; T260-D264 VanDerWaalsContact O-N 3.13Å |
| 261 | T | 91.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | Q257 H259 K265 | Q257-T261 WeakPolarHBondContact O-CB 3.36Å; Q257-T261 PolarHBondContact O-N 2.92Å; Q257-T261 PolarHBondContact O-OG1 3.37Å; H259-T261 VanDerWaalsContact C-N 3.34Å; H259-T261 PolarHBondContact O-N 2.99Å; T261-K265 WeakPolarHBondContact O-CB 3.4Å; T261-K265 PolarHBondContact O-N 3.18Å |
| 262 | A | 89.9 | Confident | 91.8 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 12% | 0.116 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.6 | -33.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L258 H259 T260 K265 E266 R269 | L258-A262 WeakPolarHBondContact O-CB 3.35Å; L258-A262 PolarHBondContact O-N 2.95Å; H259-A262 PolarHBondContact O-N 3.48Å; H259-A262 VanDerWaalsContact O-N 3.07Å; T260-A262 VanDerWaalsContact C-N 3.31Å; T260-A262 PolarHBondContact O-N 2.91Å; A262-K265 PolarHBondContact O-N 2.9Å; A262-E266 WeakPolarHBondContact O-CB 3.44Å; A262-E266 PolarHBondContact O-N 2.97Å; A262-R269 VanDerWaalsContact CB-NH1 3.29Å |
| 263 | I | 92.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 175.6 | -69.2 | 158.8 | 0 | 0 | 0 | 110.3 | L230 N232 H259 T260 K265 G267 R269 V271 | L230-I263 HydrophobicContact CB-CD1 4.14Å; L230-I263 HydrophobicContact CD2-CD1 3.56Å; L230-I263 HydrophobicContact CG-CD1 3.79Å; N232-I263 HydrophobicContact CB-CG2 3.69Å; H259-I263 HydrophobicContact CB-CD1 4.47Å; H259-I263 WeakPolarHBondContact O-CD1 3.26Å; H259-I263 VanDerWaalsContact O-CG1 3.3Å; H259-I263 WeakPolarHBondContact O-CG1 3.3Å; H259-I263 PolarHBondContact O-N 3.3Å; T260-I263 PolarHBondContact O-N 2.91Å; I263-K265 VanDerWaalsContact C-N 3.33Å; I263-K265 PolarHBondContact O-N 2.99Å; I263-G267 CarbonylContact O-C 3.55Å; I263-G267 WeakPolarHBondContact O-CA 3.39Å; I263-G267 PolarHBondContact O-N 3Å; I263-R269 HydrophobicContact CD1-CB 4.36Å; I263-R269 HydrophobicContact CG1-CB 3.56Å; I263-V271 HydrophobicContact CD1-CG1 4.48Å |
| 264 | D | 90.4 | Very high | 91.8 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -45.7 | 174 | 160.6 | 57.5 | 0 | 0 | 0 | 112.2 | N232 Y238 T260 K364 | N232-D264 WeakPolarHBondContact OD1-CA 3.32Å; Y238-D264 VanDerWaalsContact OH-CB 3.31Å; Y238-D264 WeakPolarHBondContact OH-CB 3.4Å; Y238-D264 PolarHBondContact OH-OD2 2.83Å; T260-D264 PolarHBondContact O-N 3.33Å; T260-D264 VanDerWaalsContact O-N 3.13Å; D264-K364 VanDerWaalsContact O-CD 3.27Å; D264-K364 WeakPolarHBondContact O-CD 3.45Å; D264-K364 WeakPolarHBondContact O-CE 3.12Å; D264-K364 PolarHBondContact O-NZ 3.33Å; D264-K364 IonicContact OD1-NZ 2.93Å; D264-K364 PolarHBondContact OD1-NZ 3.29Å |
| 265 | K | 87.1 | Confident | 91.8 | Very high | 155 Ų | 155 | 44.8 Ų | 44.8 | 67% | 0.674 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.8 | -37.6 | -174.7 | -175.7 | -172.1 | 171.1 | -154.8 | 0 | 113.7 | T261 A262 I263 | T261-K265 WeakPolarHBondContact O-CB 3.4Å; T261-K265 PolarHBondContact O-N 3.18Å; A262-K265 PolarHBondContact O-N 2.9Å; I263-K265 VanDerWaalsContact C-N 3.33Å; I263-K265 PolarHBondContact O-N 2.99Å |
| 266 | E | 85.7 | Confident | 91.8 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -108.6 | -17.8 | -170.9 | -62.2 | -179.7 | -165.4 | 0 | 0 | 113 | A262 Y363 G365 | A262-E266 WeakPolarHBondContact O-CB 3.44Å; A262-E266 PolarHBondContact O-N 2.97Å; E266-Y363 WeakPolarHBondContact O-CD2 3.35Å; E266-G365 WeakPolarHBondContact O-CA 3.16Å; E266-G365 PolarHBondContact O-N 3.39Å |
| 267 | G | 90.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 91.9 | -13.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N232 I263 | N232-G267 PolarHBondContact N-O 3.29Å; I263-G267 CarbonylContact O-C 3.55Å; I263-G267 WeakPolarHBondContact O-CA 3.39Å; I263-G267 PolarHBondContact O-N 3Å |
| 268 | R | 92.5 | Very high | 91.8 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 159.6 | 175.4 | 66 | -175.7 | -170.8 | 165.8 | 3.1 | 111.7 | V229 L230 F231 Q311 Y363 | V229-R268 HydrophobicContact CG1-CB 4.07Å; V229-R268 HydrophobicContact CG1-CG 4.41Å; L230-R268 CarbonylContact O-C 3.58Å; L230-R268 VanDerWaalsContact O-CA 3.28Å; L230-R268 WeakPolarHBondContact O-CA 3.4Å; F231-R268 HydrophobicContact CB-CB 4.5Å; F231-R268 HydrophobicContact CD1-CB 3.66Å; F231-R268 HydrophobicContact CD1-CG 4.47Å; F231-R268 HydrophobicContact CE1-CB 4Å; F231-R268 VanDerWaalsContact CE1-CD 3.48Å; F231-R268 HydrophobicContact CE1-CG 4.38Å; F231-R268 HydrophobicContact CG-CB 4Å; R268-Q311 VanDerWaalsContact CZ-OE1 3.27Å; R268-Y363 HydrophobicContact CG-CD2 3.94Å; R268-Y363 HydrophobicContact CG-CE2 4.18Å; R268-Y363 HydrophobicContact CG-CG 4.19Å; R268-Y363 VanDerWaalsContact CZ-CE1 3.43Å; R268-Y363 VanDerWaalsContact NE-CZ 3.32Å; R268-Y363 PolarHBondContact NH2-OH 3.36Å |
| 269 | R | 92.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 40 Ų | 40 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.9 | 172.1 | -174.4 | 160.4 | 177.5 | 176.9 | 4.6 | 112.7 | V229 L230 L258 H259 A262 I263 V271 | V229-R269 WeakPolarHBondContact CA-O 3.33Å; L230-R269 PolarHBondContact N-O 3.05Å; L230-R269 PolarHBondContact O-N 3.2Å; L258-R269 PolarHBondContact O-NH1 2.99Å; H259-R269 PolarHBondContact ND1-NE 2.68Å; A262-R269 VanDerWaalsContact CB-NH1 3.29Å; I263-R269 HydrophobicContact CD1-CB 4.36Å; I263-R269 HydrophobicContact CG1-CB 3.56Å; R269-V271 PolarHBondContact O-N 3.13Å |
| 270 | A | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M55 Y227 C228 M308 | M55-A270 HydrophobicContact SD-CB 3.86Å; M55-A270 VanDerWaalsContact SD-O 3.41Å; Y227-A270 HydrophobicContact CD1-CB 3.92Å; Y227-A270 HydrophobicContact CG-CB 4.12Å; C228-A270 WeakPolarHBondContact O-CA 3.32Å; A270-M308 HydrophobicContact CB-CE 3.87Å; A270-M308 HydrophobicContact CB-SD 4.12Å |
| 271 | V | 93.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -15.9 | -179 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | C228 L230 L245 L249 I263 R269 I286 | C228-V271 HydrophobicContact CB-CG2 4.41Å; C228-V271 WeakPolarHBondContact O-CG2 3.33Å; C228-V271 PolarHBondContact O-N 3.43Å; L230-V271 HydrophobicContact CB-CG1 4Å; L230-V271 HydrophobicContact CB-CG2 4.35Å; L245-V271 HydrophobicContact CD2-CB 4.21Å; L245-V271 HydrophobicContact CD2-CG1 4.01Å; L245-V271 HydrophobicContact CD2-CG2 4.37Å; L249-V271 HydrophobicContact CD1-CB 3.87Å; L249-V271 HydrophobicContact CD1-CG2 4.16Å; I263-V271 HydrophobicContact CD1-CG1 4.48Å; R269-V271 PolarHBondContact O-N 3.13Å; V271-I286 HydrophobicContact CG2-CD1 3.84Å |
| 272 | K | 92.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 147.6 | 170 | -164.1 | 177.2 | -176.3 | -176.4 | 0 | 109.5 | Y227 C228 L249 A278 A282 | Y227-K272 CarbonylContact C-O 3.42Å; Y227-K272 WeakPolarHBondContact CA-O 3.29Å; C228-K272 HydrophobicContact CB-CB 3.9Å; C228-K272 PolarHBondContact N-O 3.03Å; C228-K272 PolarHBondContact O-N 2.86Å; L249-K272 HydrophobicContact CD2-CB 4.25Å; L249-K272 HydrophobicContact CD2-CD 4.18Å; K272-A278 WeakPolarHBondContact CD-O 3.36Å; K272-A278 VanDerWaalsContact CE-O 3.31Å; K272-A278 WeakPolarHBondContact CE-O 3.38Å; K272-A278 PolarHBondContact NZ-O 2.83Å; K272-A282 HydrophobicContact CB-CB 4.48Å; K272-A282 HydrophobicContact CD-CB 3.39Å |
| 273 | A | 92.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | M55 Y226 Y227 | M55-A273 HydrophobicContact CG-CB 3.76Å; M55-A273 HydrophobicContact SD-CB 4.4Å; Y226-A273 WeakPolarHBondContact O-CA 3.26Å; Y227-A273 HydrophobicContact CD1-CB 3.54Å; Y227-A273 HydrophobicContact CE1-CB 3.51Å |
| 274 | G | 92.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | -157.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y226 | Y226-G274 PolarHBondContact N-O 3.33Å; Y226-G274 PolarHBondContact O-N 3.1Å |
| 275 | A | 93.2 | Very high | 92.8 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68.5 | 156.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A277 A278 C279 | A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 3.34Å; A275-A278 PolarHBondContact O-N 3.4Å; A275-A278 VanDerWaalsContact O-N 3.11Å; A275-C279 PolarHBondContact O-N 3.24Å |
| 276 | Y | 92.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -49.7 | -48 | -177.1 | -177.2 | -105.4 | 0 | 0 | 0 | 113 | K211 Y226 A278 C279 Q280 V302 | K211-Y276 VanDerWaalsContact CE-CE2 3.46Å; K211-Y276 WeakPolarHBondContact CE-OH 3.4Å; K211-Y276 PolarHBondContact NZ-OH 2.76Å; Y226-Y276 AromaticContact CD1-CD2 3.76Å; Y226-Y276 HydrophobicContact CD1-CD2 3.76Å; Y226-Y276 HydrophobicContact CD2-CD2 4.49Å; Y226-Y276 AromaticContact CE1-CD2 3.77Å; Y226-Y276 HydrophobicContact CE1-CD2 3.77Å; Y226-Y276 HydrophobicContact CG-CD2 4.13Å; Y276-A278 PolarHBondContact O-N 2.99Å; Y276-C279 PolarHBondContact O-N 3.42Å; Y276-Q280 WeakPolarHBondContact O-CB 3.41Å; Y276-Q280 PolarHBondContact O-N 3.32Å; Y276-Q280 PolarHBondContact OH-OE1 3.05Å; Y276-V302 HydrophobicContact CD2-CG1 3.69Å; Y276-V302 HydrophobicContact CE2-CB 4.28Å; Y276-V302 HydrophobicContact CE2-CG1 3.75Å |
| 277 | A | 93.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.6 | -42.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A275 C279 Q280 E281 | A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 3.34Å; A277-C279 VanDerWaalsContact C-N 3.33Å; A277-C279 PolarHBondContact O-N 3.01Å; A277-Q280 PolarHBondContact O-N 3.27Å; A277-E281 WeakPolarHBondContact O-CB 3.39Å; A277-E281 PolarHBondContact O-N 3.5Å |
| 278 | A | 93.3 | Very high | 93.6 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 28% | 0.281 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.1 | -25.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | K272 A275 Y276 | K272-A278 WeakPolarHBondContact CD-O 3.36Å; K272-A278 VanDerWaalsContact CE-O 3.31Å; K272-A278 WeakPolarHBondContact CE-O 3.38Å; K272-A278 PolarHBondContact NZ-O 2.83Å; A275-A278 PolarHBondContact O-N 3.4Å; A275-A278 VanDerWaalsContact O-N 3.11Å; Y276-A278 PolarHBondContact O-N 2.99Å |
| 279 | C | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.2 | -39.1 | 172.5 | -61 | 0 | 0 | 0 | 0 | 111.3 | Y226 C228 A275 Y276 A277 A282 K283 V302 | Y226-C279 PolarHBondContact O-SG 3.09Å; C228-C279 HydrophobicContact CB-CB 4.15Å; A275-C279 PolarHBondContact O-N 3.24Å; Y276-C279 PolarHBondContact O-N 3.42Å; A277-C279 VanDerWaalsContact C-N 3.33Å; A277-C279 PolarHBondContact O-N 3.01Å; C279-A282 PolarHBondContact O-N 3.39Å; C279-K283 PolarHBondContact O-N 3.34Å; C279-V302 HydrophobicContact CB-CG1 3.68Å; C279-V302 HydrophobicContact CB-CG2 4.05Å |
| 280 | Q | 95.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.5 | -168.8 | 70 | 40.8 | 0 | 0 | 111.7 | Y276 A277 A282 K283 E284 | Y276-Q280 WeakPolarHBondContact O-CB 3.41Å; Y276-Q280 PolarHBondContact O-N 3.32Å; Y276-Q280 PolarHBondContact OH-OE1 3.05Å; A277-Q280 PolarHBondContact O-N 3.27Å; Q280-A282 VanDerWaalsContact C-N 3.34Å; Q280-A282 PolarHBondContact O-N 3.49Å; Q280-K283 WeakPolarHBondContact O-CB 3.48Å; Q280-K283 PolarHBondContact O-N 3.22Å; Q280-K283 VanDerWaalsContact O-N 3.08Å; Q280-E284 PolarHBondContact NE2-OE1 2.98Å; Q280-E284 PolarHBondContact O-N 3.18Å |
| 281 | E | 95.3 | Very high | 92.9 | Very high | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -52.1 | -51.4 | 173.1 | -178.6 | 179.1 | -134.6 | 0 | 0 | 111 | A277 K283 E284 D285 | A277-E281 WeakPolarHBondContact O-CB 3.39Å; A277-E281 PolarHBondContact O-N 3.5Å; E281-K283 VanDerWaalsContact C-N 3.33Å; E281-K283 PolarHBondContact O-N 3.47Å; E281-E284 PolarHBondContact O-N 3.3Å; E281-D285 PolarHBondContact O-N 3.07Å |
| 282 | A | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -31.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L249 K272 C279 Q280 I286 | L249-A282 HydrophobicContact CD2-CB 4.04Å; K272-A282 HydrophobicContact CB-CB 4.48Å; K272-A282 HydrophobicContact CD-CB 3.39Å; C279-A282 PolarHBondContact O-N 3.39Å; Q280-A282 VanDerWaalsContact C-N 3.34Å; Q280-A282 PolarHBondContact O-N 3.49Å; A282-I286 WeakPolarHBondContact O-CB 3.47Å; A282-I286 WeakPolarHBondContact O-CD1 3.37Å; A282-I286 WeakPolarHBondContact O-CG1 3.25Å; A282-I286 PolarHBondContact O-N 2.85Å |
| 283 | K | 95.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.6 | 167 | 168.7 | 170.4 | 166.6 | 0 | 111 | E210 C279 Q280 E281 K287 V300 V302 | E210-K283 IonicContact OE1-NZ 2.8Å; E210-K283 PolarHBondContact OE1-NZ 2.79Å; C279-K283 PolarHBondContact O-N 3.34Å; Q280-K283 WeakPolarHBondContact O-CB 3.48Å; Q280-K283 PolarHBondContact O-N 3.22Å; Q280-K283 VanDerWaalsContact O-N 3.08Å; E281-K283 VanDerWaalsContact C-N 3.33Å; E281-K283 PolarHBondContact O-N 3.47Å; K283-K287 VanDerWaalsContact O-CG 3.31Å; K283-K287 WeakPolarHBondContact O-CG 3.4Å; K283-K287 PolarHBondContact O-N 3.04Å; K283-V300 HydrophobicContact CB-CG1 3.88Å; K283-V300 HydrophobicContact CD-CG1 4.46Å; K283-V300 WeakPolarHBondContact CD-O 3.37Å; K283-V300 WeakPolarHBondContact CE-O 3.11Å; K283-V300 HydrophobicContact CG-CB 4.17Å; K283-V300 HydrophobicContact CG-CG1 3.93Å; K283-V300 PolarHBondContact NZ-O 3.27Å; K283-V302 HydrophobicContact CB-CG2 4.01Å; K283-V302 HydrophobicContact CD-CG2 3.74Å |
| 284 | E | 95.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 176.4 | -56.4 | -46.2 | 140.7 | 0 | 0 | 112 | Q280 E281 K287 S288 | Q280-E284 PolarHBondContact NE2-OE1 2.98Å; Q280-E284 PolarHBondContact O-N 3.18Å; E281-E284 PolarHBondContact O-N 3.3Å; E284-K287 PolarHBondContact O-N 2.75Å; E284-S288 VanDerWaalsContact O-CB 3.31Å; E284-S288 WeakPolarHBondContact O-CB 3.42Å; E284-S288 PolarHBondContact O-N 2.86Å |
| 285 | D | 93.7 | Very high | 90 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 177.2 | -73.5 | -33.3 | 0 | 0 | 0 | 112.2 | A248 E281 K287 S288 H289 | A248-D285 HydrophobicContact CB-CB 3.75Å; E281-D285 PolarHBondContact O-N 3.07Å; D285-K287 VanDerWaalsContact C-N 3.34Å; D285-K287 PolarHBondContact O-N 3.05Å; D285-S288 PolarHBondContact O-N 3.05Å; D285-H289 WeakPolarHBondContact O-CB 3.43Å; D285-H289 PolarHBondContact O-N 3.49Å; D285-H289 PolarHBondContact O-ND1 2.6Å |
| 286 | I | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.1 | -68.1 | 164.4 | 0 | 0 | 0 | 109.9 | L245 A248 V271 A282 H289 S290 L298 V300 | L245-I286 HydrophobicContact CD2-CD1 4.27Å; A248-I286 HydrophobicContact CB-CB 4.24Å; A248-I286 HydrophobicContact CB-CG1 3.47Å; A248-I286 VanDerWaalsContact CB-CG1 3.47Å; V271-I286 HydrophobicContact CG2-CD1 3.84Å; A282-I286 WeakPolarHBondContact O-CB 3.47Å; A282-I286 WeakPolarHBondContact O-CD1 3.37Å; A282-I286 WeakPolarHBondContact O-CG1 3.25Å; A282-I286 PolarHBondContact O-N 2.85Å; I286-H289 PolarHBondContact O-N 3.35Å; I286-S290 WeakPolarHBondContact O-CB 3.39Å; I286-S290 PolarHBondContact O-N 2.86Å; I286-S290 PolarHBondContact O-OG 3.04Å; I286-L298 HydrophobicContact CG2-CB 4.24Å; I286-L298 HydrophobicContact CG2-CD1 3.91Å; I286-V300 HydrophobicContact CB-CG2 4.21Å; I286-V300 HydrophobicContact CD1-CG1 4.47Å; I286-V300 HydrophobicContact CG2-CG2 3.69Å |
| 287 | K | 92.8 | Very high | 89.3 | Confident | 56 Ų | 56 | 62 Ų | 62 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.2 | -54.3 | 177.9 | -74.6 | -176 | 173.6 | -166.4 | 0 | 111.8 | K283 E284 D285 H289 S290 E291 P297 | K283-K287 VanDerWaalsContact O-CG 3.31Å; K283-K287 WeakPolarHBondContact O-CG 3.4Å; K283-K287 PolarHBondContact O-N 3.04Å; E284-K287 PolarHBondContact O-N 2.75Å; D285-K287 VanDerWaalsContact C-N 3.34Å; D285-K287 PolarHBondContact O-N 3.05Å; K287-H289 VanDerWaalsContact C-N 3.31Å; K287-H289 PolarHBondContact O-N 3.17Å; K287-S290 WeakPolarHBondContact CA-OG 3.37Å; K287-S290 PolarHBondContact O-N 3.36Å; K287-S290 PolarHBondContact O-OG 2.95Å; K287-E291 WeakPolarHBondContact O-CG 3.41Å; K287-E291 PolarHBondContact O-N 3.12Å; K287-P297 HydrophobicContact CB-CB 4.11Å; K287-P297 HydrophobicContact CG-CB 4.06Å |
| 288 | S | 91.6 | Very high | 89.3 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.6 | -43.2 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | E284 D285 N292 | E284-S288 VanDerWaalsContact O-CB 3.31Å; E284-S288 WeakPolarHBondContact O-CB 3.42Å; E284-S288 PolarHBondContact O-N 2.86Å; D285-S288 PolarHBondContact O-N 3.05Å; S288-N292 PolarHBondContact O-N 3.3Å; S288-N292 PolarHBondContact O-ND2 2.8Å |
| 289 | H | 89.2 | Confident | 89.2 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -33.7 | 177 | -72 | 96.5 | 0 | 0 | 0 | 113.3 | R247 D285 I286 K287 N292 | R247-H289 HydrophobicContact CB-CB 4.39Å; R247-H289 VanDerWaalsContact CB-CD2 3.43Å; R247-H289 WeakPolarHBondContact CB-CD2 3.28Å; D285-H289 WeakPolarHBondContact O-CB 3.43Å; D285-H289 PolarHBondContact O-N 3.49Å; D285-H289 PolarHBondContact O-ND1 2.6Å; I286-H289 PolarHBondContact O-N 3.35Å; K287-H289 VanDerWaalsContact C-N 3.31Å; K287-H289 PolarHBondContact O-N 3.17Å; H289-N292 PolarHBondContact O-N 3.25Å |
| 290 | S | 88.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.8 | -37 | 176.2 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | I286 K287 N292 V293 S294 P297 L298 | I286-S290 WeakPolarHBondContact O-CB 3.39Å; I286-S290 PolarHBondContact O-N 2.86Å; I286-S290 PolarHBondContact O-OG 3.04Å; K287-S290 WeakPolarHBondContact CA-OG 3.37Å; K287-S290 PolarHBondContact O-N 3.36Å; K287-S290 PolarHBondContact O-OG 2.95Å; S290-N292 PolarHBondContact O-N 2.79Å; S290-V293 PolarHBondContact O-N 3.33Å; S290-V293 VanDerWaalsContact O-N 3.07Å; S290-S294 PolarHBondContact O-N 3.29Å; S290-S294 PolarHBondContact O-OG 2.9Å; S290-P297 WeakPolarHBondContact OG-CA 3.23Å; S290-L298 PolarHBondContact OG-N 2.73Å |
| 291 | E | 86.4 | Confident | 89.2 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.3 | -24.7 | 175.1 | -69.7 | 177.7 | 172.9 | 0 | 0 | 112.9 | K287 V293 S294 P297 | K287-E291 WeakPolarHBondContact O-CG 3.41Å; K287-E291 PolarHBondContact O-N 3.12Å; E291-V293 PolarHBondContact O-N 3.1Å; E291-S294 VanDerWaalsContact O-O 3.13Å; E291-P297 HydrophobicContact CG-CB 3.84Å; E291-P297 HydrophobicContact CG-CG 4.36Å |
| 292 | N | 79 | Confident | 89.2 | Confident | 122 Ų | 122 | 56 Ų | 56 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.2 | 174.4 | -74 | -58.7 | 0 | 0 | 0 | 113.5 | S288 H289 S290 | S288-N292 PolarHBondContact O-N 3.3Å; S288-N292 PolarHBondContact O-ND2 2.8Å; H289-N292 PolarHBondContact O-N 3.25Å; S290-N292 PolarHBondContact O-N 2.79Å |
| 293 | V | 77.6 | Confident | 89.2 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -21.5 | -174.4 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | H240 Y243 S290 E291 | H240-V293 HydrophobicContact CB-CG1 4.36Å; Y243-V293 HydrophobicContact CD1-CG2 3.69Å; Y243-V293 HydrophobicContact CE1-CG2 3.63Å; S290-V293 PolarHBondContact O-N 3.33Å; S290-V293 VanDerWaalsContact O-N 3.07Å; E291-V293 PolarHBondContact O-N 3.1Å |
| 294 | S | 79.6 | Confident | 89 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -144.5 | 167.9 | -171.2 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | H236 S290 E291 H296 | H236-S294 PolarHBondContact NE2-OG 2.86Å; H236-S294 VanDerWaalsContact NE2-OG 3.08Å; S290-S294 PolarHBondContact O-N 3.29Å; S290-S294 PolarHBondContact O-OG 2.9Å; E291-S294 VanDerWaalsContact O-O 3.13Å; S294-H296 VanDerWaalsContact C-N 3.34Å; S294-H296 PolarHBondContact OG-O 3.03Å |
| 295 | Q | 75.7 | Confident | 88.8 | Confident | 184 Ų | 184 | 51.7 Ų | 51.7 | 86% | 0.86 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -78.4 | -13.9 | -177.7 | -70.5 | -176.1 | -9.8 | 0 | 0 | 114.6 | ||
| 296 | H | 81.6 | Confident | 88.7 | Confident | 127 Ų | 127 | 49.8 Ų | 49.8 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -137.4 | 138.5 | -175.5 | -58.6 | 101.3 | 0 | 0 | 0 | 109.5 | H236 S294 | H236-H296 PolarHBondContact CE1-O 3Å; H236-H296 PolarHBondContact NE2-O 3.44Å; S294-H296 VanDerWaalsContact C-N 3.34Å; S294-H296 PolarHBondContact OG-O 3.03Å |
| 297 | P | 89.6 | Confident | 88.6 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 34% | 0.344 | 26% | 0.255 | S | S | . | . | trans | -66.9 | 149.2 | 176.4 | 26 | -33.2 | 0 | 0 | 0 | 112 | K287 S290 E291 | K287-P297 HydrophobicContact CB-CB 4.11Å; K287-P297 HydrophobicContact CG-CB 4.06Å; S290-P297 WeakPolarHBondContact OG-CA 3.23Å; E291-P297 HydrophobicContact CG-CB 3.84Å; E291-P297 HydrophobicContact CG-CG 4.36Å | ||
| 298 | L | 91.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -58.1 | 142.7 | 169.2 | -74.8 | 168.4 | 0 | 0 | 0 | 111.5 | L230 H236 V241 I286 S290 V300 | L230-L298 HydrophobicContact CD1-CB 3.86Å; L230-L298 HydrophobicContact CD1-CD1 4.27Å; L230-L298 HydrophobicContact CD1-CD2 4.33Å; L230-L298 HydrophobicContact CD1-CG 4.39Å; H236-L298 HydrophobicContact CB-CD2 4.03Å; H236-L298 WeakPolarHBondContact ND1-CD2 3.34Å; V241-L298 HydrophobicContact CG2-CD2 4.06Å; I286-L298 HydrophobicContact CG2-CB 4.24Å; I286-L298 HydrophobicContact CG2-CD1 3.91Å; S290-L298 PolarHBondContact OG-N 2.73Å; L298-V300 HydrophobicContact CB-CG2 4.34Å; L298-V300 PolarHBondContact O-N 3.2Å | ||
| 299 | H | 92.1 | Very high | 88.6 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 40% | 0.403 | 23% | 0.227 | S | C | . | . | trans | -77.8 | 109 | 177.8 | -177.7 | 45.5 | 0 | 0 | 0 | 111.6 | F231 E301 | F231-H299 HydrophobicContact CB-CB 4.36Å; F231-H299 AromaticContact CD2-CD2 3.81Å; F231-H299 AromaticContact CD2-NE2 3.97Å; F231-H299 AromaticContact CG-CD2 3.6Å; F231-H299 PolarHBondContact N-O 3.35Å; H299-E301 IonicContact CE1-OE1 3.71Å; H299-E301 PolarHBondContact CE1-OE1 3.39Å; H299-E301 VanDerWaalsContact CE1-OE1 3.32Å; H299-E301 IonicContact NE2-OE1 2.84Å | ||
| 300 | V | 94.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.5 | -175.5 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | C228 V229 L230 K283 I286 L298 | C228-V300 WeakPolarHBondContact SG-CG1 3.39Å; V229-V300 WeakPolarHBondContact O-CA 3.47Å; L230-V300 HydrophobicContact CB-CG2 4.47Å; L230-V300 HydrophobicContact CD1-CG2 3.66Å; K283-V300 HydrophobicContact CB-CG1 3.88Å; K283-V300 HydrophobicContact CD-CG1 4.46Å; K283-V300 WeakPolarHBondContact CD-O 3.37Å; K283-V300 WeakPolarHBondContact CE-O 3.11Å; K283-V300 HydrophobicContact CG-CB 4.17Å; K283-V300 HydrophobicContact CG-CG1 3.93Å; K283-V300 PolarHBondContact NZ-O 3.27Å; I286-V300 HydrophobicContact CB-CG2 4.21Å; I286-V300 HydrophobicContact CD1-CG1 4.47Å; I286-V300 HydrophobicContact CG2-CG2 3.69Å; L298-V300 HydrophobicContact CB-CG2 4.34Å; L298-V300 PolarHBondContact O-N 3.2Å |
| 301 | E | 94.9 | Very high | 89 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 162.7 | 179.9 | -54.9 | -169.6 | 146.3 | 0 | 0 | 112.6 | V229 F231 H299 L303 | V229-E301 PolarHBondContact N-O 3.1Å; V229-E301 PolarHBondContact O-N 3.46Å; F231-E301 HydrophobicContact CD2-CG 4.39Å; F231-E301 HydrophobicContact CE2-CB 3.93Å; F231-E301 HydrophobicContact CE2-CG 3.76Å; F231-E301 HydrophobicContact CZ-CG 4.46Å; F231-E301 WeakPolarHBondContact CZ-OE2 3.34Å; H299-E301 IonicContact CE1-OE1 3.71Å; H299-E301 PolarHBondContact CE1-OE1 3.39Å; H299-E301 VanDerWaalsContact CE1-OE1 3.32Å; H299-E301 IonicContact NE2-OE1 2.84Å; E301-L303 HydrophobicContact CB-CD2 4.3Å; E301-L303 HydrophobicContact CB-CG 4.46Å |
| 302 | V | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 96.2 | 176.7 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | Y226 Y227 Y276 C279 K283 | Y226-V302 HydrophobicContact CD1-CG1 4.14Å; Y226-V302 HydrophobicContact CG-CG1 4.37Å; Y227-V302 CarbonylContact O-C 3.59Å; Y227-V302 WeakPolarHBondContact O-CA 3.45Å; Y276-V302 HydrophobicContact CD2-CG1 3.69Å; Y276-V302 HydrophobicContact CE2-CB 4.28Å; Y276-V302 HydrophobicContact CE2-CG1 3.75Å; C279-V302 HydrophobicContact CB-CG1 3.68Å; C279-V302 HydrophobicContact CB-CG2 4.05Å; K283-V302 HydrophobicContact CB-CG2 4.01Å; K283-V302 HydrophobicContact CD-CG2 3.74Å |
| 303 | L | 93.8 | Very high | 90.1 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.2 | -174.2 | -57.3 | -177.7 | 0 | 0 | 0 | 111.3 | E210 Y226 Y227 V229 E301 | E210-L303 HydrophobicContact CB-CD2 4.19Å; E210-L303 HydrophobicContact CG-CD2 4.03Å; Y226-L303 CarbonylContact C-O 3.6Å; Y226-L303 WeakPolarHBondContact CA-O 3.42Å; Y227-L303 PolarHBondContact N-O 3.25Å; Y227-L303 PolarHBondContact O-N 3.18Å; V229-L303 HydrophobicContact CG2-CB 4.46Å; V229-L303 HydrophobicContact CG2-CD1 4.17Å; V229-L303 HydrophobicContact CG2-CG 4.31Å; E301-L303 HydrophobicContact CB-CD2 4.3Å; E301-L303 HydrophobicContact CB-CG 4.46Å |
| 304 | H | 92.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 140.5 | 169 | -170.2 | -100.8 | 0 | 0 | 0 | 110.9 | E210 N223 Y226 E306 I307 M308 | E210-H304 PolarHBondContact O-N 3.24Å; N223-H304 PolarHBondContact O-NE2 2.85Å; Y226-H304 HydrophobicContact CD1-CB 4.31Å; Y226-H304 HydrophobicContact CE1-CB 4.14Å; Y226-H304 AromaticContact CE1-CD2 3.87Å; Y226-H304 AromaticContact CZ-CD2 3.8Å; H304-E306 VanDerWaalsContact C-N 3.29Å; H304-E306 IonicContact CE1-OE2 2.86Å; H304-E306 PolarHBondContact CE1-OE2 3.03Å; H304-E306 PolarHBondContact ND1-N 2.76Å; H304-E306 IonicContact ND1-OE2 3.22Å; H304-E306 PolarHBondContact O-N 2.83Å; H304-I307 HydrophobicContact CB-CB 4.5Å; H304-I307 HydrophobicContact CB-CD1 3.82Å; H304-I307 HydrophobicContact CB-CG1 4.02Å; H304-I307 PolarHBondContact O-N 2.89Å; H304-M308 PolarHBondContact O-N 3.34Å |
| 305 | S | 91.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.1 | -39.7 | -172.5 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | N223 R225 M308 A309 | N223-S305 PolarHBondContact ND2-OG 3.23Å; N223-S305 PolarHBondContact OD1-OG 3.4Å; N223-S305 VanDerWaalsContact OD1-OG 3.04Å; R225-S305 WeakPolarHBondContact O-CB 3.45Å; R225-S305 PolarHBondContact O-N 2.65Å; R225-S305 PolarHBondContact O-OG 3.4Å; R225-S305 VanDerWaalsContact O-OG 3.08Å; S305-M308 PolarHBondContact O-N 3.15Å; S305-A309 PolarHBondContact O-N 3.07Å; S305-A309 VanDerWaalsContact O-N 3.08Å |
| 306 | E | 91 | Very high | 92.5 | Very high | 22 Ų | 22 | 26 Ų | 26 | 10% | 0.103 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.3 | -31.3 | -180 | -54.8 | -179.6 | 160.6 | 0 | 0 | 112.2 | P48 L213 N223 H304 A309 H310 | P48-E306 HydrophobicContact CB-CG 4.14Å; P48-E306 HydrophobicContact CG-CB 4.31Å; P48-E306 HydrophobicContact CG-CG 4.23Å; L213-E306 HydrophobicContact CD1-CB 3.84Å; N223-E306 WeakPolarHBondContact ND2-CG 3.49Å; N223-E306 PolarHBondContact ND2-OE1 3.3Å; H304-E306 VanDerWaalsContact C-N 3.29Å; H304-E306 IonicContact CE1-OE2 2.86Å; H304-E306 PolarHBondContact CE1-OE2 3.03Å; H304-E306 PolarHBondContact ND1-N 2.76Å; H304-E306 IonicContact ND1-OE2 3.22Å; H304-E306 PolarHBondContact O-N 2.83Å; E306-A309 WeakPolarHBondContact O-CB 3.33Å; E306-A309 PolarHBondContact O-N 3.3Å; E306-H310 PolarHBondContact O-CD2 3.18Å; E306-H310 PolarHBondContact O-N 3.2Å |
| 307 | I | 92.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69 | -43.8 | 177.1 | -60.1 | 177 | 0 | 0 | 0 | 109.8 | E209 L213 H304 A309 H310 Q311 | E209-I307 VanDerWaalsContact O-CD1 3.25Å; E209-I307 WeakPolarHBondContact O-CD1 3.24Å; L213-I307 HydrophobicContact CD2-CB 4.46Å; L213-I307 HydrophobicContact CD2-CG1 3.79Å; L213-I307 HydrophobicContact CG-CG1 3.86Å; H304-I307 HydrophobicContact CB-CB 4.5Å; H304-I307 HydrophobicContact CB-CD1 3.82Å; H304-I307 HydrophobicContact CB-CG1 4.02Å; H304-I307 PolarHBondContact O-N 2.89Å; I307-A309 VanDerWaalsContact C-N 3.32Å; I307-A309 PolarHBondContact O-N 2.84Å; I307-H310 PolarHBondContact O-N 2.92Å; I307-Q311 HydrophobicContact CG2-CG 4.41Å; I307-Q311 WeakPolarHBondContact O-CB 3.34Å; I307-Q311 WeakPolarHBondContact O-CG 3.36Å; I307-Q311 PolarHBondContact O-N 3.38Å |
| 308 | M | 91 | Very high | 93.4 | Very high | 11 Ų | 11 | 17.5 Ų | 17.5 | 5% | 0.054 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.8 | -169.7 | 169.9 | 178 | 0 | 0 | 111.8 | E54 Y227 V229 A270 H304 S305 K312 | E54-M308 HydrophobicContact CB-CE 4.02Å; E54-M308 HydrophobicContact CB-SD 4.21Å; E54-M308 HydrophobicContact CG-CE 4.07Å; E54-M308 HydrophobicContact CG-CG 4.25Å; E54-M308 HydrophobicContact CG-SD 4.13Å; Y227-M308 HydrophobicContact CD2-CB 4.21Å; Y227-M308 HydrophobicContact CD2-SD 3.62Å; Y227-M308 HydrophobicContact CE2-SD 4.26Å; Y227-M308 HydrophobicContact CG-SD 3.99Å; V229-M308 HydrophobicContact CG2-SD 3.93Å; A270-M308 HydrophobicContact CB-CE 3.87Å; A270-M308 HydrophobicContact CB-SD 4.12Å; H304-M308 PolarHBondContact O-N 3.34Å; S305-M308 PolarHBondContact O-N 3.15Å; M308-K312 WeakPolarHBondContact O-CB 3.34Å; M308-K312 PolarHBondContact O-N 3.4Å |
| 309 | A | 92.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.5 | -49.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V47 S305 E306 I307 K312 F313 | V47-A309 HydrophobicContact CG1-CB 4.26Å; S305-A309 PolarHBondContact O-N 3.07Å; S305-A309 VanDerWaalsContact O-N 3.08Å; E306-A309 WeakPolarHBondContact O-CB 3.33Å; E306-A309 PolarHBondContact O-N 3.3Å; I307-A309 VanDerWaalsContact C-N 3.32Å; I307-A309 PolarHBondContact O-N 2.84Å; A309-K312 PolarHBondContact O-N 3.1Å; A309-F313 WeakPolarHBondContact O-CB 3.47Å; A309-F313 PolarHBondContact O-N 3.46Å |
| 310 | H | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 179.7 | -82.1 | -76.4 | 0 | 0 | 0 | 113.3 | V47 Y200 M204 L213 E306 I307 F313 A314 | V47-H310 HydrophobicContact CG1-CB 4.4Å; Y200-H310 AromaticContact CE2-ND1 3.94Å; Y200-H310 AromaticContact CZ-ND1 3.82Å; Y200-H310 WeakPolarHBondContact OH-CB 3.37Å; Y200-H310 PolarHBondContact OH-ND1 3.19Å; Y200-H310 PolarHBondContact OH-O 3.3Å; Y200-H310 VanDerWaalsContact OH-O 3.12Å; M204-H310 HydrophobicContact CE-CB 3.73Å; M204-H310 HydrophobicContact CG-CB 4.33Å; M204-H310 HydrophobicContact SD-CB 4.23Å; L213-H310 HydrophobicContact CD2-CB 4.23Å; E306-H310 PolarHBondContact O-CD2 3.18Å; E306-H310 PolarHBondContact O-N 3.2Å; I307-H310 PolarHBondContact O-N 2.92Å; H310-F313 PolarHBondContact O-N 3.34Å; H310-A314 PolarHBondContact O-N 3.18Å |
| 311 | Q | 93.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 15.1 Ų | 15.1 | 8% | 0.075 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 173.1 | -75.2 | -180 | -12.5 | 0 | 0 | 112.4 | M204 W207 R268 I307 A314 L315 | M204-Q311 HydrophobicContact CE-CG 4.33Å; M204-Q311 WeakPolarHBondContact O-CG 3.49Å; W207-Q311 PolarHBondContact O-NE2 2.92Å; R268-Q311 VanDerWaalsContact CZ-OE1 3.27Å; I307-Q311 HydrophobicContact CG2-CG 4.41Å; I307-Q311 WeakPolarHBondContact O-CB 3.34Å; I307-Q311 WeakPolarHBondContact O-CG 3.36Å; I307-Q311 PolarHBondContact O-N 3.38Å; Q311-A314 PolarHBondContact O-N 3.47Å; Q311-L315 PolarHBondContact O-N 3.42Å |
| 312 | K | 92.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 14.4 Ų | 14.4 | 19% | 0.187 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 175.9 | -175.9 | 172.5 | -179.9 | 176.8 | 0 | 111.5 | Y51 E54 M308 A309 A314 L315 R316 | Y51-K312 HydrophobicContact CD1-CD 3.78Å; Y51-K312 HydrophobicContact CD1-CG 4.21Å; Y51-K312 HydrophobicContact CE1-CD 4.28Å; Y51-K312 HydrophobicContact CE1-CG 4.36Å; Y51-K312 HydrophobicContact CG-CD 4.43Å; E54-K312 VanDerWaalsContact OE1-CD 3.22Å; E54-K312 WeakPolarHBondContact OE1-CD 3.42Å; E54-K312 WeakPolarHBondContact OE1-CE 3.38Å; E54-K312 IonicContact OE1-NZ 3.87Å; E54-K312 PolarHBondContact OE1-NZ 3.22Å; E54-K312 VanDerWaalsContact OE2-CD 3.26Å; E54-K312 WeakPolarHBondContact OE2-CD 3.39Å; E54-K312 IonicContact OE2-NZ 3.35Å; E54-K312 PolarHBondContact OE2-NZ 3.01Å; M308-K312 WeakPolarHBondContact O-CB 3.34Å; M308-K312 PolarHBondContact O-N 3.4Å; A309-K312 PolarHBondContact O-N 3.1Å; K312-A314 VanDerWaalsContact C-N 3.34Å; K312-A314 PolarHBondContact O-N 2.9Å; K312-L315 PolarHBondContact O-N 2.8Å; K312-R316 PolarHBondContact O-N 3.01Å |
| 313 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 175.4 | 178.1 | -112.5 | 0 | 0 | 0 | 112.5 | L43 V47 Y51 V66 I70 F71 Y200 A309 H310 L315 R316 L317 | L43-F313 HydrophobicContact CD1-CD1 4.41Å; L43-F313 HydrophobicContact CD1-CE1 3.79Å; L43-F313 HydrophobicContact CD2-CD1 4.29Å; L43-F313 HydrophobicContact CD2-CE1 3.44Å; L43-F313 VanDerWaalsContact CD2-CE1 3.44Å; L43-F313 HydrophobicContact CD2-CZ 3.88Å; L43-F313 HydrophobicContact CG-CE1 4.24Å; V47-F313 HydrophobicContact CG1-CB 3.62Å; V47-F313 HydrophobicContact CG1-CD1 4.34Å; V47-F313 HydrophobicContact CG1-CG 4.12Å; V47-F313 HydrophobicContact CG2-CB 4.2Å; V47-F313 HydrophobicContact CG2-CD1 3.52Å; V47-F313 HydrophobicContact CG2-CD2 4.39Å; V47-F313 HydrophobicContact CG2-CE1 4.04Å; V47-F313 HydrophobicContact CG2-CG 3.75Å; Y51-F313 HydrophobicContact CD2-CB 4.15Å; Y51-F313 HydrophobicContact CE2-CB 3.73Å; Y51-F313 AromaticContact CE2-CD2 3.9Å; Y51-F313 HydrophobicContact CE2-CD2 3.9Å; Y51-F313 HydrophobicContact CE2-CG 4.19Å; V66-F313 HydrophobicContact CG2-CD2 3.84Å; V66-F313 HydrophobicContact CG2-CE2 3.51Å; I70-F313 HydrophobicContact CD1-CE2 4Å; I70-F313 HydrophobicContact CD1-CZ 4.01Å; I70-F313 HydrophobicContact CG2-CE2 4.34Å; I70-F313 HydrophobicContact CG2-CZ 3.81Å; F71-F313 AromaticContact CE1-CE2 3.9Å; F71-F313 HydrophobicContact CE1-CE2 3.9Å; F71-F313 HydrophobicContact CE1-CZ 4.29Å; F71-F313 HydrophobicContact CZ-CE2 4.07Å; Y200-F313 AromaticContact CE1-CD1 3.72Å; Y200-F313 HydrophobicContact CE1-CD1 3.72Å; Y200-F313 AromaticContact CE1-CE1 3.97Å; Y200-F313 HydrophobicContact CE1-CE1 3.97Å; Y200-F313 AromaticContact CZ-CD1 3.91Å; A309-F313 WeakPolarHBondContact O-CB 3.47Å; A309-F313 PolarHBondContact O-N 3.46Å; H310-F313 PolarHBondContact O-N 3.34Å; F313-L315 VanDerWaalsContact C-N 3.27Å; F313-L315 PolarHBondContact O-N 3.17Å; F313-R316 PolarHBondContact O-N 3.07Å; F313-R316 VanDerWaalsContact O-N 3.1Å; F313-L317 HydrophobicContact CE1-CB 4.26Å; F313-L317 HydrophobicContact CE1-CD2 3.82Å; F313-L317 HydrophobicContact CE2-CB 4.37Å; F313-L317 HydrophobicContact CZ-CB 4.04Å; F313-L317 HydrophobicContact CZ-CD1 4.19Å; F313-L317 HydrophobicContact CZ-CD2 4.03Å; F313-L317 HydrophobicContact CZ-CG 4.33Å; F313-L317 WeakPolarHBondContact O-CB 3.41Å; F313-L317 PolarHBondContact O-N 3.44Å |
| 314 | A | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.2 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y200 M204 H310 Q311 K312 L317 G318 | Y200-A314 HydrophobicContact CE1-CB 4.13Å; M204-A314 HydrophobicContact CB-CB 3.96Å; H310-A314 PolarHBondContact O-N 3.18Å; Q311-A314 PolarHBondContact O-N 3.47Å; K312-A314 VanDerWaalsContact C-N 3.34Å; K312-A314 PolarHBondContact O-N 2.9Å; A314-L317 PolarHBondContact O-N 3.27Å; A314-G318 PolarHBondContact O-N 3.29Å |
| 315 | L | 93.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 17.5 Ų | 17.5 | 12% | 0.115 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 175 | -61.5 | -161.9 | 0 | 0 | 0 | 113.2 | Q311 K312 F313 G318 S319 Y363 A366 I369 | Q311-L315 PolarHBondContact O-N 3.42Å; K312-L315 PolarHBondContact O-N 2.8Å; F313-L315 VanDerWaalsContact C-N 3.27Å; F313-L315 PolarHBondContact O-N 3.17Å; L315-G318 PolarHBondContact O-N 2.97Å; L315-S319 PolarHBondContact O-N 3.37Å; L315-S319 PolarHBondContact O-OG 3.13Å; L315-Y363 HydrophobicContact CD1-CE2 3.86Å; L315-Y363 VanDerWaalsContact CD1-OH 3.25Å; L315-Y363 WeakPolarHBondContact CD1-OH 3.38Å; L315-A366 HydrophobicContact CD1-CB 4.37Å; L315-A366 HydrophobicContact CD2-CB 3.95Å; L315-I369 HydrophobicContact CB-CG1 4.18Å; L315-I369 HydrophobicContact CD2-CB 4.23Å; L315-I369 HydrophobicContact CD2-CG1 4.17Å; L315-I369 HydrophobicContact CD2-CG2 4.5Å |
| 316 | R | 94.5 | Very high | 92.4 | Very high | 82 Ų | 82 | 19.6 Ų | 19.6 | 31% | 0.309 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -66 | -39 | 173.4 | -61.1 | -56.6 | -65.7 | 136.4 | -7.3 | 111.4 | E63 F71 K312 F313 S319 W320 | E63-R316 IonicContact OE1-CZ 3.92Å; E63-R316 IonicContact OE1-NH2 3.08Å; E63-R316 PolarHBondContact OE1-NH2 3.47Å; E63-R316 IonicContact OE2-CZ 3.31Å; E63-R316 IonicContact OE2-NE 3.2Å; E63-R316 PolarHBondContact OE2-NE 3.29Å; E63-R316 IonicContact OE2-NH2 3.88Å; E63-R316 PolarHBondContact OE2-NH2 2.99Å; F71-R316 HydrophobicContact CZ-CB 4.17Å; K312-R316 PolarHBondContact O-N 3.01Å; F313-R316 PolarHBondContact O-N 3.07Å; F313-R316 VanDerWaalsContact O-N 3.1Å; R316-S319 PolarHBondContact NH1-OG 2.78Å; R316-S319 VanDerWaalsContact O-CB 3.28Å; R316-S319 WeakPolarHBondContact O-CB 3.35Å; R316-S319 PolarHBondContact O-N 3.43Å; R316-W320 PolarHBondContact O-N 3.24Å |
| 317 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.4 | -35.8 | 176.1 | -174.2 | 60.8 | 0 | 0 | 0 | 112.1 | F39 F71 L74 V197 Y200 V201 F313 A314 W320 M321 | F39-L317 HydrophobicContact CZ-CD2 4.11Å; F71-L317 HydrophobicContact CD1-CD1 4.38Å; F71-L317 HydrophobicContact CE1-CB 4.47Å; F71-L317 HydrophobicContact CE1-CD1 3.85Å; L74-L317 HydrophobicContact CD1-CD1 4.2Å; V197-L317 HydrophobicContact CG1-CD1 3.95Å; V197-L317 HydrophobicContact CG1-CD2 3.85Å; V197-L317 HydrophobicContact CG1-CG 3.75Å; Y200-L317 HydrophobicContact CD1-CD2 3.73Å; Y200-L317 HydrophobicContact CE1-CD2 4.17Å; V201-L317 HydrophobicContact CG2-CB 4.11Å; V201-L317 HydrophobicContact CG2-CD2 3.86Å; V201-L317 HydrophobicContact CG2-CG 3.93Å; F313-L317 HydrophobicContact CE1-CB 4.26Å; F313-L317 HydrophobicContact CE1-CD2 3.82Å; F313-L317 HydrophobicContact CE2-CB 4.37Å; F313-L317 HydrophobicContact CZ-CB 4.04Å; F313-L317 HydrophobicContact CZ-CD1 4.19Å; F313-L317 HydrophobicContact CZ-CD2 4.03Å; F313-L317 HydrophobicContact CZ-CG 4.33Å; F313-L317 WeakPolarHBondContact O-CB 3.41Å; F313-L317 PolarHBondContact O-N 3.44Å; A314-L317 PolarHBondContact O-N 3.27Å; L317-W320 HydrophobicContact CD1-CD2 4.45Å; L317-W320 HydrophobicContact CD1-CE3 3.77Å; L317-W320 HydrophobicContact CD1-CZ3 4.28Å; L317-W320 PolarHBondContact O-N 3.31Å; L317-M321 PolarHBondContact O-N 2.91Å |
| 318 | G | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A314 L315 W320 M321 N322 | A314-G318 PolarHBondContact O-N 3.29Å; L315-G318 PolarHBondContact O-N 2.97Å; G318-W320 VanDerWaalsContact C-N 3.33Å; G318-W320 PolarHBondContact O-N 3.08Å; G318-M321 PolarHBondContact O-N 3.48Å; G318-N322 PolarHBondContact O-N 3.3Å |
| 319 | S | 93.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 22 Ų | 22 | 22% | 0.217 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 173.5 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | L315 R316 N322 K323 I369 | L315-S319 PolarHBondContact O-N 3.37Å; L315-S319 PolarHBondContact O-OG 3.13Å; R316-S319 PolarHBondContact NH1-OG 2.78Å; R316-S319 VanDerWaalsContact O-CB 3.28Å; R316-S319 WeakPolarHBondContact O-CB 3.35Å; R316-S319 PolarHBondContact O-N 3.43Å; S319-N322 PolarHBondContact O-N 2.83Å; S319-K323 PolarHBondContact O-N 3Å; S319-K323 VanDerWaalsContact O-N 3.14Å; S319-I369 WeakPolarHBondContact OG-CD1 3.49Å |
| 320 | W | 94.6 | Very high | 91 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.3 | 174 | 84.4 | 0 | 0 | 0 | 111.8 | F71 L74 E75 V197 R316 L317 G318 N322 K323 I324 | F71-W320 HydrophobicContact CD1-CB 3.97Å; F71-W320 AromaticContact CD1-CD1 3.74Å; F71-W320 HydrophobicContact CD1-CD2 4.11Å; F71-W320 AromaticContact CD1-CG 3.67Å; F71-W320 HydrophobicContact CD1-CG 3.67Å; F71-W320 HydrophobicContact CE1-CB 3.71Å; F71-W320 AromaticContact CE1-CG 3.93Å; F71-W320 HydrophobicContact CE1-CG 3.93Å; F71-W320 HydrophobicContact CE2-CB 4.42Å; F71-W320 HydrophobicContact CG-CB 4.46Å; F71-W320 AromaticContact CG-CD1 3.69Å; F71-W320 HydrophobicContact CG-CG 4.07Å; F71-W320 HydrophobicContact CZ-CB 3.95Å; L74-W320 HydrophobicContact CB-CH2 4.03Å; L74-W320 HydrophobicContact CB-CZ2 3.89Å; L74-W320 HydrophobicContact CD1-CH2 4.26Å; L74-W320 HydrophobicContact CD1-CZ3 4.4Å; E75-W320 HydrophobicContact CG-CZ2 3.98Å; E75-W320 PolarHBondContact OE1-NE1 3.04Å; V197-W320 HydrophobicContact CG1-CZ3 4.48Å; R316-W320 PolarHBondContact O-N 3.24Å; L317-W320 HydrophobicContact CD1-CD2 4.45Å; L317-W320 HydrophobicContact CD1-CE3 3.77Å; L317-W320 HydrophobicContact CD1-CZ3 4.28Å; L317-W320 PolarHBondContact O-N 3.31Å; G318-W320 VanDerWaalsContact C-N 3.33Å; G318-W320 PolarHBondContact O-N 3.08Å; W320-N322 VanDerWaalsContact C-N 3.34Å; W320-N322 PolarHBondContact O-N 2.99Å; W320-K323 WeakPolarHBondContact O-CB 3.22Å; W320-K323 PolarHBondContact O-N 3.45Å; W320-K323 VanDerWaalsContact O-N 3.13Å; W320-I324 HydrophobicContact CD2-CG1 4.03Å; W320-I324 HydrophobicContact CE3-CG1 4.37Å; W320-I324 HydrophobicContact CH2-CG1 4.11Å; W320-I324 HydrophobicContact CZ2-CD1 3.91Å; W320-I324 HydrophobicContact CZ2-CG1 3.71Å; W320-I324 HydrophobicContact CZ3-CG1 4.42Å; W320-I324 WeakPolarHBondContact O-CG1 3.41Å; W320-I324 PolarHBondContact O-N 3.4Å |
| 321 | M | 93.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.2 | -172.8 | 60.8 | 70.2 | 0 | 0 | 111.8 | F194 V197 L317 G318 K323 I324 M325 F335 L373 | F194-M321 HydrophobicContact CD1-CE 4.21Å; F194-M321 HydrophobicContact CD1-SD 4.44Å; F194-M321 HydrophobicContact CD2-CE 4.43Å; F194-M321 HydrophobicContact CD2-SD 3.99Å; F194-M321 HydrophobicContact CE1-CE 4.45Å; F194-M321 HydrophobicContact CE1-SD 4.24Å; F194-M321 HydrophobicContact CE2-SD 3.77Å; F194-M321 HydrophobicContact CG-CE 4.2Å; F194-M321 HydrophobicContact CG-SD 4.32Å; F194-M321 HydrophobicContact CZ-SD 3.91Å; V197-M321 HydrophobicContact CB-CE 3.95Å; V197-M321 HydrophobicContact CG1-CE 3.43Å; V197-M321 VanDerWaalsContact CG1-CE 3.43Å; L317-M321 PolarHBondContact O-N 2.91Å; G318-M321 PolarHBondContact O-N 3.48Å; M321-K323 PolarHBondContact O-N 2.85Å; M321-I324 PolarHBondContact O-N 3.01Å; M321-M325 HydrophobicContact CG-CE 4.19Å; M321-M325 HydrophobicContact CG-CG 4.47Å; M321-M325 HydrophobicContact CG-SD 4.36Å; M321-M325 WeakPolarHBondContact O-CB 3.41Å; M321-M325 WeakPolarHBondContact O-CG 3.48Å; M321-M325 PolarHBondContact O-N 3.48Å; M321-M325 HydrophobicContact SD-CG 4.48Å; M321-F335 HydrophobicContact CG-CD2 3.67Å; M321-F335 HydrophobicContact CG-CE2 3.68Å; M321-F335 HydrophobicContact SD-CD2 4Å; M321-L373 HydrophobicContact CB-CD2 4.17Å; M321-L373 HydrophobicContact CG-CD2 4.23Å |
| 322 | N | 90.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 22.9 Ų | 22.9 | 21% | 0.209 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 172.7 | -175.4 | 5.4 | 0 | 0 | 0 | 111.6 | G318 S319 W320 I324 M325 S326 E372 L373 S376 | G318-N322 PolarHBondContact O-N 3.3Å; S319-N322 PolarHBondContact O-N 2.83Å; W320-N322 VanDerWaalsContact C-N 3.34Å; W320-N322 PolarHBondContact O-N 2.99Å; N322-I324 PolarHBondContact O-N 3.07Å; N322-M325 PolarHBondContact O-N 3.27Å; N322-S326 PolarHBondContact O-N 2.77Å; N322-S326 VanDerWaalsContact O-N 3.11Å; N322-E372 PolarHBondContact ND2-OE2 3.48Å; N322-L373 HydrophobicContact CB-CD2 4.36Å; N322-S376 WeakPolarHBondContact OD1-CB 3.26Å; N322-S376 PolarHBondContact OD1-OG 3.39Å |
| 323 | K | 89.3 | Confident | 90.7 | Very high | 76 Ų | 76 | 22.3 Ų | 22.3 | 33% | 0.33 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 173.4 | -178.9 | -165.7 | 173.3 | -155.6 | 0 | 111.7 | E75 S319 W320 M321 S326 Y327 | E75-K323 IonicContact OE1-NZ 3.05Å; E75-K323 PolarHBondContact OE1-NZ 3.36Å; S319-K323 PolarHBondContact O-N 3Å; S319-K323 VanDerWaalsContact O-N 3.14Å; W320-K323 WeakPolarHBondContact O-CB 3.22Å; W320-K323 PolarHBondContact O-N 3.45Å; W320-K323 VanDerWaalsContact O-N 3.13Å; M321-K323 PolarHBondContact O-N 2.85Å; K323-S326 WeakPolarHBondContact O-CB 3.4Å; K323-S326 PolarHBondContact O-N 2.97Å; K323-S326 PolarHBondContact O-OG 3.37Å; K323-Y327 WeakPolarHBondContact CE-OH 3.35Å; K323-Y327 HydrophobicContact CG-CE2 4.14Å; K323-Y327 WeakPolarHBondContact O-CD2 3.47Å; K323-Y327 VanDerWaalsContact O-CE2 3.24Å; K323-Y327 WeakPolarHBondContact O-CE2 3.25Å |
| 324 | I | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 178.9 | -62.9 | -62.7 | 0 | 0 | 0 | 111.9 | E75 L78 F79 F194 W320 M321 N322 S326 Y327 F331 | E75-I324 HydrophobicContact CG-CD1 4.3Å; L78-I324 HydrophobicContact CD2-CD1 4.2Å; L78-I324 HydrophobicContact CD2-CG2 3.91Å; F79-I324 HydrophobicContact CZ-CD1 4.26Å; F194-I324 HydrophobicContact CE1-CG2 4.34Å; F194-I324 HydrophobicContact CZ-CG2 3.81Å; W320-I324 HydrophobicContact CD2-CG1 4.03Å; W320-I324 HydrophobicContact CE3-CG1 4.37Å; W320-I324 HydrophobicContact CH2-CG1 4.11Å; W320-I324 HydrophobicContact CZ2-CD1 3.91Å; W320-I324 HydrophobicContact CZ2-CG1 3.71Å; W320-I324 HydrophobicContact CZ3-CG1 4.42Å; W320-I324 WeakPolarHBondContact O-CG1 3.41Å; W320-I324 PolarHBondContact O-N 3.4Å; M321-I324 PolarHBondContact O-N 3.01Å; N322-I324 PolarHBondContact O-N 3.07Å; I324-S326 PolarHBondContact O-N 2.9Å; I324-Y327 HydrophobicContact CD1-CE2 4.38Å; I324-Y327 WeakPolarHBondContact O-CD2 3.48Å; I324-Y327 PolarHBondContact O-N 3.29Å; I324-Y327 VanDerWaalsContact O-N 3.13Å; I324-F331 HydrophobicContact CG2-CD1 4.33Å; I324-F331 HydrophobicContact CG2-CD2 3.95Å; I324-F331 HydrophobicContact CG2-CE2 4.16Å; I324-F331 HydrophobicContact CG2-CG 4.06Å; I324-F331 HydrophobicContact CG2-CZ 4.44Å; I324-F331 WeakPolarHBondContact O-CD2 3.24Å |
| 325 | M | 89 | Confident | 90.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.8 | -23.8 | 179 | -72 | -170.1 | -57.5 | 0 | 0 | 113.9 | M321 N322 Y327 R332 F335 L373 S376 | M321-M325 HydrophobicContact CG-CE 4.19Å; M321-M325 HydrophobicContact CG-CG 4.47Å; M321-M325 HydrophobicContact CG-SD 4.36Å; M321-M325 WeakPolarHBondContact O-CB 3.41Å; M321-M325 WeakPolarHBondContact O-CG 3.48Å; M321-M325 PolarHBondContact O-N 3.48Å; M321-M325 HydrophobicContact SD-CG 4.48Å; N322-M325 PolarHBondContact O-N 3.27Å; M325-Y327 PolarHBondContact O-N 2.93Å; M325-R332 HydrophobicContact CB-CG 3.98Å; M325-R332 HydrophobicContact CG-CG 4.44Å; M325-R332 WeakPolarHBondContact O-CG 3.28Å; M325-R332 PolarHBondContact O-NH1 3.48Å; M325-R332 VanDerWaalsContact O-NH1 3.16Å; M325-F335 HydrophobicContact CE-CD1 4.43Å; M325-F335 HydrophobicContact CE-CD2 4.35Å; M325-F335 HydrophobicContact CE-CE1 4.41Å; M325-F335 HydrophobicContact CE-CE2 4.34Å; M325-F335 HydrophobicContact CE-CG 4.41Å; M325-F335 HydrophobicContact CE-CZ 4.37Å; M325-F335 HydrophobicContact CG-CB 4.38Å; M325-F335 HydrophobicContact SD-CB 3.55Å; M325-F335 VanDerWaalsContact SD-CB 3.55Å; M325-F335 HydrophobicContact SD-CD1 3.56Å; M325-F335 VanDerWaalsContact SD-CD1 3.56Å; M325-F335 HydrophobicContact SD-CD2 3.59Å; M325-F335 VanDerWaalsContact SD-CD2 3.59Å; M325-F335 HydrophobicContact SD-CE1 4.11Å; M325-F335 HydrophobicContact SD-CE2 4.15Å; M325-F335 HydrophobicContact SD-CG 3.27Å; M325-F335 WeakPolarHBondContact SD-CG 3.49Å; M325-F335 HydrophobicContact SD-CZ 4.38Å; M325-L373 HydrophobicContact CE-CD2 3.55Å; M325-S376 WeakPolarHBondContact CE-OG 3.22Å |
| 326 | S | 84.7 | Confident | 90.7 | Very high | 57 Ų | 57 | 22.2 Ų | 22.2 | 40% | 0.399 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.7 | 174.7 | 80.7 | 0 | 0 | 0 | 0 | 113.5 | F96 N322 K323 I324 | F96-S326 WeakPolarHBondContact CZ-O 3.3Å; N322-S326 PolarHBondContact O-N 2.77Å; N322-S326 VanDerWaalsContact O-N 3.11Å; K323-S326 WeakPolarHBondContact O-CB 3.4Å; K323-S326 PolarHBondContact O-N 2.97Å; K323-S326 PolarHBondContact O-OG 3.37Å; I324-S326 PolarHBondContact O-N 2.9Å |
| 327 | Y | 83.2 | Confident | 90.7 | Very high | 40 Ų | 40 | 22.6 Ų | 22.6 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.9 | -173.7 | -58.9 | -55.9 | 0 | 0 | 0 | 115.4 | L87 K323 I324 M325 | L87-Y327 HydrophobicContact CD1-CE2 4.48Å; L87-Y327 HydrophobicContact CD2-CD1 4.19Å; L87-Y327 HydrophobicContact CD2-CD2 3.44Å; L87-Y327 VanDerWaalsContact CD2-CD2 3.44Å; L87-Y327 HydrophobicContact CD2-CE1 4.05Å; L87-Y327 HydrophobicContact CD2-CE2 3.27Å; L87-Y327 HydrophobicContact CD2-CG 3.92Å; K323-Y327 WeakPolarHBondContact CE-OH 3.35Å; K323-Y327 HydrophobicContact CG-CE2 4.14Å; K323-Y327 WeakPolarHBondContact O-CD2 3.47Å; K323-Y327 VanDerWaalsContact O-CE2 3.24Å; K323-Y327 WeakPolarHBondContact O-CE2 3.25Å; I324-Y327 HydrophobicContact CD1-CE2 4.38Å; I324-Y327 WeakPolarHBondContact O-CD2 3.48Å; I324-Y327 PolarHBondContact O-N 3.29Å; I324-Y327 VanDerWaalsContact O-N 3.13Å; M325-Y327 PolarHBondContact O-N 2.93Å |
| 328 | S | 83.1 | Confident | 90.6 | Very high | 12 Ų | 12 | 23 Ų | 23 | 8% | 0.084 | 12% | 0.122 | C | C | . | . | trans | -156.3 | 147.4 | -177.9 | 178.2 | 0 | 0 | 0 | 0 | 113.2 | D330 F331 R332 | S328-D330 VanDerWaalsContact C-N 3.28Å; S328-D330 PolarHBondContact O-N 3.24Å; S328-D330 PolarHBondContact OG-N 3.3Å; S328-D330 VanDerWaalsContact OG-N 3.1Å; S328-F331 PolarHBondContact O-N 3.2Å; S328-R332 PolarHBondContact O-N 3.44Å; S328-R332 PolarHBondContact O-NH1 2.91Å | ||
| 329 | S | 83.4 | Confident | 90.7 | Very high | 31 Ų | 31 | 23.1 Ų | 23.1 | 22% | 0.217 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | 168.1 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | F331 R332 Q333 E381 | S329-F331 VanDerWaalsContact C-N 3.3Å; S329-F331 PolarHBondContact O-N 3.33Å; S329-R332 WeakPolarHBondContact O-CB 3.22Å; S329-R332 PolarHBondContact O-N 3.1Å; S329-R332 VanDerWaalsContact O-N 3.13Å; S329-Q333 WeakPolarHBondContact O-CG 3.39Å; S329-Q333 PolarHBondContact O-N 3.05Å; S329-E381 WeakPolarHBondContact CB-OE1 3.34Å |
| 330 | D | 86.8 | Confident | 90.7 | Very high | 20 Ų | 20 | 23.4 Ų | 23.4 | 11% | 0.107 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | -176.7 | -60.3 | -32.6 | 0 | 0 | 0 | 110.9 | P181 L182 S328 Q333 I334 | P181-D330 WeakPolarHBondContact CA-OD2 3.34Å; L182-D330 HydrophobicContact CB-CB 4.43Å; L182-D330 HydrophobicContact CD1-CB 3.64Å; L182-D330 HydrophobicContact CG-CB 3.87Å; L182-D330 PolarHBondContact N-OD2 3.19Å; S328-D330 VanDerWaalsContact C-N 3.28Å; S328-D330 PolarHBondContact O-N 3.24Å; S328-D330 PolarHBondContact OG-N 3.3Å; S328-D330 VanDerWaalsContact OG-N 3.1Å; D330-Q333 PolarHBondContact O-N 3.23Å; D330-I334 WeakPolarHBondContact O-CD1 3.24Å; D330-I334 VanDerWaalsContact O-CG1 3.22Å; D330-I334 WeakPolarHBondContact O-CG1 3.24Å; D330-I334 PolarHBondContact O-N 2.91Å |
| 331 | F | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 172.8 | -71 | -45 | 0 | 0 | 0 | 112.1 | L78 F79 L90 L182 V186 A190 F194 I324 S328 S329 Q333 I334 F335 | L78-F331 HydrophobicContact CD1-CE1 4.02Å; L78-F331 HydrophobicContact CD2-CE1 4.23Å; L78-F331 HydrophobicContact CD2-CZ 4.21Å; L78-F331 HydrophobicContact CG-CE1 4.35Å; L78-F331 HydrophobicContact CG-CZ 4.47Å; F79-F331 HydrophobicContact CE1-CE2 4.34Å; F79-F331 AromaticContact CE1-CZ 3.98Å; F79-F331 HydrophobicContact CE1-CZ 3.98Å; L90-F331 HydrophobicContact CD1-CE2 4.23Å; L182-F331 HydrophobicContact CD1-CD1 3.52Å; L182-F331 HydrophobicContact CD1-CD2 4.03Å; L182-F331 HydrophobicContact CD1-CE1 3.36Å; L182-F331 HydrophobicContact CD1-CE2 3.89Å; L182-F331 HydrophobicContact CD1-CG 3.84Å; L182-F331 HydrophobicContact CD1-CZ 3.55Å; L182-F331 HydrophobicContact CD2-CE2 3.96Å; L182-F331 HydrophobicContact CD2-CZ 3.97Å; L182-F331 HydrophobicContact CG-CZ 4.44Å; V186-F331 HydrophobicContact CG1-CE1 3.93Å; V186-F331 HydrophobicContact CG1-CZ 3.81Å; A190-F331 HydrophobicContact CB-CD1 4.14Å; A190-F331 HydrophobicContact CB-CE1 4.01Å; F194-F331 HydrophobicContact CE1-CD1 4.28Å; F194-F331 HydrophobicContact CE2-CB 4.14Å; F194-F331 HydrophobicContact CE2-CD1 4.26Å; F194-F331 WeakPolarHBondContact CE2-O 3.29Å; F194-F331 HydrophobicContact CZ-CB 4.09Å; F194-F331 AromaticContact CZ-CD1 3.58Å; F194-F331 HydrophobicContact CZ-CD1 3.58Å; F194-F331 HydrophobicContact CZ-CE1 4.33Å; F194-F331 HydrophobicContact CZ-CG 4.08Å; I324-F331 HydrophobicContact CG2-CD1 4.33Å; I324-F331 HydrophobicContact CG2-CD2 3.95Å; I324-F331 HydrophobicContact CG2-CE2 4.16Å; I324-F331 HydrophobicContact CG2-CG 4.06Å; I324-F331 HydrophobicContact CG2-CZ 4.44Å; I324-F331 WeakPolarHBondContact O-CD2 3.24Å; S328-F331 PolarHBondContact O-N 3.2Å; S329-F331 VanDerWaalsContact C-N 3.3Å; S329-F331 PolarHBondContact O-N 3.33Å; F331-Q333 VanDerWaalsContact C-N 3.34Å; F331-Q333 PolarHBondContact O-N 3.04Å; F331-I334 PolarHBondContact O-N 3.02Å; F331-F335 WeakPolarHBondContact O-CB 3.4Å; F331-F335 PolarHBondContact O-N 3.28Å |
| 332 | R | 90.6 | Very high | 89.8 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.7 | -67.7 | -174 | -64.9 | -94.4 | 11.5 | 111.9 | M325 S328 S329 F335 C336 S376 E381 | M325-R332 HydrophobicContact CB-CG 3.98Å; M325-R332 HydrophobicContact CG-CG 4.44Å; M325-R332 WeakPolarHBondContact O-CG 3.28Å; M325-R332 PolarHBondContact O-NH1 3.48Å; M325-R332 VanDerWaalsContact O-NH1 3.16Å; S328-R332 PolarHBondContact O-N 3.44Å; S328-R332 PolarHBondContact O-NH1 2.91Å; S329-R332 WeakPolarHBondContact O-CB 3.22Å; S329-R332 PolarHBondContact O-N 3.1Å; S329-R332 VanDerWaalsContact O-N 3.13Å; R332-F335 PolarHBondContact O-N 3.44Å; R332-C336 PolarHBondContact O-N 3.21Å; R332-C336 PolarHBondContact O-SG 3.22Å; R332-S376 WeakPolarHBondContact CD-O 3.29Å; R332-S376 WeakPolarHBondContact CG-O 3.14Å; R332-E381 HydrophobicContact CB-CG 4.19Å; R332-E381 IonicContact CZ-OE1 3.86Å; R332-E381 VanDerWaalsContact CZ-OE1 3.27Å; R332-E381 IonicContact NE-OE1 2.8Å; R332-E381 PolarHBondContact NE-OE1 3.25Å; R332-E381 IonicContact NH2-OE1 3.93Å; R332-E381 PolarHBondContact NH2-OE1 2.53Å |
| 333 | Q | 91.4 | Very high | 89.2 | Confident | 31 Ų | 31 | 38.9 Ų | 38.9 | 15% | 0.145 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 179.7 | -64.3 | -180 | 17 | 0 | 0 | 111.6 | S329 D330 F331 C336 Q337 E381 Y384 | S329-Q333 WeakPolarHBondContact O-CG 3.39Å; S329-Q333 PolarHBondContact O-N 3.05Å; D330-Q333 PolarHBondContact O-N 3.23Å; F331-Q333 VanDerWaalsContact C-N 3.34Å; F331-Q333 PolarHBondContact O-N 3.04Å; Q333-C336 PolarHBondContact O-N 3.08Å; Q333-Q337 WeakPolarHBondContact O-CB 3.46Å; Q333-Q337 VanDerWaalsContact O-CG 3.22Å; Q333-Q337 WeakPolarHBondContact O-CG 3.34Å; Q333-Q337 PolarHBondContact O-N 3.09Å; Q333-E381 HydrophobicContact CG-CG 4.34Å; Q333-E381 PolarHBondContact NE2-OE2 3.48Å; Q333-Y384 HydrophobicContact CB-CE2 3.95Å; Q333-Y384 HydrophobicContact CG-CD2 4.27Å; Q333-Y384 HydrophobicContact CG-CE2 3.65Å |
| 334 | I | 93.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 174.5 | -66.5 | 164.4 | 0 | 0 | 0 | 111.2 | I187 A190 R191 F194 D330 F331 Q337 A338 | I187-I334 HydrophobicContact CG2-CD1 4.16Å; A190-I334 HydrophobicContact CB-CD1 3.85Å; A190-I334 HydrophobicContact CB-CG2 4.38Å; R191-I334 HydrophobicContact CG-CD1 4.31Å; R191-I334 HydrophobicContact CG-CG1 4.25Å; R191-I334 HydrophobicContact CG-CG2 4.04Å; F194-I334 HydrophobicContact CB-CG2 4.17Å; F194-I334 HydrophobicContact CD2-CB 4.36Å; F194-I334 HydrophobicContact CD2-CG2 3.89Å; F194-I334 HydrophobicContact CG-CG2 4.11Å; D330-I334 WeakPolarHBondContact O-CD1 3.24Å; D330-I334 VanDerWaalsContact O-CG1 3.22Å; D330-I334 WeakPolarHBondContact O-CG1 3.24Å; D330-I334 PolarHBondContact O-N 2.91Å; F331-I334 PolarHBondContact O-N 3.02Å; I334-Q337 PolarHBondContact O-N 3.23Å; I334-A338 WeakPolarHBondContact O-CB 3.19Å; I334-A338 PolarHBondContact O-N 2.86Å |
| 335 | F | 95.3 | Very high | 87.3 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -52.3 | 174.7 | 176.3 | -88.8 | 0 | 0 | 0 | 111.6 | F194 I198 M321 M325 F331 R332 Q337 A338 C339 L373 S377 F378 | F194-F335 HydrophobicContact CD2-CB 3.92Å; F194-F335 HydrophobicContact CE2-CB 4.14Å; I198-F335 HydrophobicContact CD1-CD2 3.49Å; I198-F335 VanDerWaalsContact CD1-CD2 3.49Å; I198-F335 HydrophobicContact CD1-CE2 3.81Å; I198-F335 HydrophobicContact CD1-CG 4.16Å; I198-F335 HydrophobicContact CG1-CD2 3.87Å; I198-F335 HydrophobicContact CG1-CE2 3.74Å; M321-F335 HydrophobicContact CG-CD2 3.67Å; M321-F335 HydrophobicContact CG-CE2 3.68Å; M321-F335 HydrophobicContact SD-CD2 4Å; M325-F335 HydrophobicContact CE-CD1 4.43Å; M325-F335 HydrophobicContact CE-CD2 4.35Å; M325-F335 HydrophobicContact CE-CE1 4.41Å; M325-F335 HydrophobicContact CE-CE2 4.34Å; M325-F335 HydrophobicContact CE-CG 4.41Å; M325-F335 HydrophobicContact CE-CZ 4.37Å; M325-F335 HydrophobicContact CG-CB 4.38Å; M325-F335 HydrophobicContact SD-CB 3.55Å; M325-F335 VanDerWaalsContact SD-CB 3.55Å; M325-F335 HydrophobicContact SD-CD1 3.56Å; M325-F335 VanDerWaalsContact SD-CD1 3.56Å; M325-F335 HydrophobicContact SD-CD2 3.59Å; M325-F335 VanDerWaalsContact SD-CD2 3.59Å; M325-F335 HydrophobicContact SD-CE1 4.11Å; M325-F335 HydrophobicContact SD-CE2 4.15Å; M325-F335 HydrophobicContact SD-CG 3.27Å; M325-F335 WeakPolarHBondContact SD-CG 3.49Å; M325-F335 HydrophobicContact SD-CZ 4.38Å; F331-F335 WeakPolarHBondContact O-CB 3.4Å; F331-F335 PolarHBondContact O-N 3.28Å; R332-F335 PolarHBondContact O-N 3.44Å; F335-Q337 VanDerWaalsContact C-N 3.32Å; F335-Q337 PolarHBondContact O-N 2.96Å; F335-A338 PolarHBondContact O-N 3.21Å; F335-A338 VanDerWaalsContact O-N 3.12Å; F335-C339 VanDerWaalsContact CE1-SG 3.52Å; F335-C339 VanDerWaalsContact CZ-SG 3.55Å; F335-C339 WeakPolarHBondContact O-CB 3.46Å; F335-C339 PolarHBondContact O-N 2.82Å; F335-L373 HydrophobicContact CE2-CD2 4.22Å; F335-L373 HydrophobicContact CZ-CB 4.22Å; F335-L373 HydrophobicContact CZ-CD1 4.49Å; F335-L373 HydrophobicContact CZ-CD2 4.09Å; F335-S377 WeakPolarHBondContact CD1-OG 3.07Å; F335-S377 VanDerWaalsContact CE1-OG 3.3Å; F335-S377 WeakPolarHBondContact CE1-OG 3.42Å; F335-F378 HydrophobicContact CE1-CE2 4.13Å |
| 336 | C | 95.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 179.5 | -66 | 0 | 0 | 0 | 0 | 112.1 | R332 Q333 C339 L340 F378 Y384 | R332-C336 PolarHBondContact O-N 3.21Å; R332-C336 PolarHBondContact O-SG 3.22Å; Q333-C336 PolarHBondContact O-N 3.08Å; C336-C339 PolarHBondContact O-N 2.65Å; C336-L340 WeakPolarHBondContact O-CB 3.33Å; C336-L340 VanDerWaalsContact O-CG 3.3Å; C336-L340 WeakPolarHBondContact O-CG 3.39Å; C336-L340 PolarHBondContact O-N 3.02Å; C336-F378 HydrophobicContact CB-CD1 4.06Å; C336-F378 HydrophobicContact CB-CE1 3.75Å; C336-F378 HydrophobicContact CB-CZ 4.07Å; C336-F378 VanDerWaalsContact SG-CD1 3.6Å; C336-Y384 HydrophobicContact CB-CD1 3.25Å; C336-Y384 HydrophobicContact CB-CD2 4.4Å; C336-Y384 HydrophobicContact CB-CE1 3.79Å; C336-Y384 HydrophobicContact CB-CG 3.59Å |
| 337 | Q | 94.8 | Very high | 86.2 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 173.4 | -75.6 | 173.6 | 6.8 | 0 | 0 | 112.5 | Q333 I334 F335 R341 Y384 | Q333-Q337 WeakPolarHBondContact O-CB 3.46Å; Q333-Q337 VanDerWaalsContact O-CG 3.22Å; Q333-Q337 WeakPolarHBondContact O-CG 3.34Å; Q333-Q337 PolarHBondContact O-N 3.09Å; I334-Q337 PolarHBondContact O-N 3.23Å; F335-Q337 VanDerWaalsContact C-N 3.32Å; F335-Q337 PolarHBondContact O-N 2.96Å; Q337-R341 PolarHBondContact O-N 2.92Å; Q337-Y384 HydrophobicContact CG-CE1 3.95Å; Q337-Y384 PolarHBondContact NE2-OH 3.1Å |
| 338 | A | 94.4 | Very high | 86.2 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P195 I198 I334 F335 R341 | P195-A338 HydrophobicContact CB-CB 4.39Å; P195-A338 HydrophobicContact CG-CB 3.96Å; I198-A338 HydrophobicContact CD1-CB 3.61Å; I334-A338 WeakPolarHBondContact O-CB 3.19Å; I334-A338 PolarHBondContact O-N 2.86Å; F335-A338 PolarHBondContact O-N 3.21Å; F335-A338 VanDerWaalsContact O-N 3.12Å; A338-R341 WeakPolarHBondContact O-CB 3.1Å; A338-R341 PolarHBondContact O-N 2.69Å |
| 339 | C | 95.2 | Very high | 86.6 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 176.1 | -78.7 | 0 | 0 | 0 | 0 | 114.1 | F335 C336 R341 L351 I352 F378 | F335-C339 VanDerWaalsContact CE1-SG 3.52Å; F335-C339 VanDerWaalsContact CZ-SG 3.55Å; F335-C339 WeakPolarHBondContact O-CB 3.46Å; F335-C339 PolarHBondContact O-N 2.82Å; C336-C339 PolarHBondContact O-N 2.65Å; C339-R341 VanDerWaalsContact C-N 3.34Å; C339-L351 PolarHBondContact O-N 2.79Å; C339-L351 VanDerWaalsContact O-N 3.1Å; C339-I352 HydrophobicContact CB-CB 4.12Å; C339-I352 HydrophobicContact CB-CG2 4.37Å; C339-I352 PolarHBondContact O-N 2.65Å; C339-F378 HydrophobicContact CB-CE2 4.15Å; C339-F378 HydrophobicContact CB-CZ 3.72Å |
| 340 | L | 93.7 | Very high | 87.1 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.5 | 179.1 | -69.6 | 171.3 | 0 | 0 | 0 | 113.5 | C336 E342 I352 F378 Y384 L387 E391 | C336-L340 WeakPolarHBondContact O-CB 3.33Å; C336-L340 VanDerWaalsContact O-CG 3.3Å; C336-L340 WeakPolarHBondContact O-CG 3.39Å; C336-L340 PolarHBondContact O-N 3.02Å; L340-E342 PolarHBondContact O-N 3Å; L340-I352 HydrophobicContact CD2-CG2 3.97Å; L340-F378 HydrophobicContact CD1-CE1 3.95Å; L340-F378 HydrophobicContact CD2-CE1 4.23Å; L340-F378 HydrophobicContact CG-CE1 3.91Å; L340-F378 HydrophobicContact CG-CZ 4.27Å; L340-Y384 HydrophobicContact CD1-CD1 4.13Å; L340-L387 HydrophobicContact CD1-CB 3.79Å; L340-L387 HydrophobicContact CD1-CD1 3.83Å; L340-L387 HydrophobicContact CD1-CG 4.43Å; L340-E391 HydrophobicContact CD2-CG 4.31Å |
| 341 | R | 88.8 | Confident | 87.4 | Confident | 164 Ų | 164 | 60 Ų | 60 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 123.9 | -179.7 | -172.8 | 176.1 | -179.4 | -176.8 | -1.2 | 110.4 | Q337 A338 C339 | Q337-R341 PolarHBondContact O-N 2.92Å; A338-R341 WeakPolarHBondContact O-CB 3.1Å; A338-R341 PolarHBondContact O-N 2.69Å; C339-R341 VanDerWaalsContact C-N 3.34Å |
| 342 | E | 82.2 | Confident | 87.6 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 140.7 | 167.8 | -63.3 | 179.7 | 157.3 | 0 | 0 | 109.6 | L340 C350 | L340-E342 PolarHBondContact O-N 3Å; E342-C350 HydrophobicContact CG-CB 4.22Å |
| 343 | E | 77.2 | Confident | 87.8 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 128.1 | 172.9 | -74.1 | -176.5 | 157.5 | 0 | 0 | 109 | K199 D345 S346 | K199-E343 IonicContact NZ-OE1 3.9Å; K199-E343 PolarHBondContact NZ-OE1 3.02Å; E343-D345 PolarHBondContact O-N 3.14Å; E343-S346 VanDerWaalsContact O-CB 3.3Å; E343-S346 WeakPolarHBondContact O-CB 3.03Å; E343-S346 PolarHBondContact O-N 2.95Å |
| 344 | P | 70.8 | Confident | 87.9 | Confident | 109 Ų | 109 | 60 Ų | 60 | 71% | 0.708 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 139 | 177.3 | -23.8 | 33.7 | 0 | 0 | 0 | 111.5 | S346 | P344-S346 PolarHBondContact O-N 3.01Å; P344-S346 VanDerWaalsContact O-N 3.15Å |
| 345 | D | 67.9 | Low | 88 | Confident | 177 Ų | 177 | 60.2 Ų | 60.2 | 95% | 0.947 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 14.4 | 179.6 | -50 | -48.7 | 0 | 0 | 0 | 115.5 | E343 | E343-D345 PolarHBondContact O-N 3.14Š|
| 346 | S | 74.5 | Confident | 88 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -99 | 130.6 | 175.9 | -161.7 | 0 | 0 | 0 | 0 | 111 | E343 P344 N348 | E343-S346 VanDerWaalsContact O-CB 3.3Å; E343-S346 WeakPolarHBondContact O-CB 3.03Å; E343-S346 PolarHBondContact O-N 2.95Å; P344-S346 PolarHBondContact O-N 3.01Å; P344-S346 VanDerWaalsContact O-N 3.15Å; S346-N348 PolarHBondContact O-N 2.88Å; S346-N348 PolarHBondContact OG-ND2 2.76Å | ||
| 347 | E | 78 | Confident | 88 | Confident | 203 Ų | 203 | 61.2 Ų | 61.2 | 95% | 0.949 | 31% | 0.308 | S | S | * | . | trans | -75.6 | -5.5 | 169.8 | -66.9 | -169.7 | 161.2 | 0 | 0 | 112.7 | ||||
| 348 | N | 82.6 | Confident | 87.9 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -73 | 138.1 | -177.8 | -68.1 | -66.9 | 0 | 0 | 0 | 111.7 | S346 | S346-N348 PolarHBondContact O-N 2.88Å; S346-N348 PolarHBondContact OG-ND2 2.76Å |
| 349 | P | 90.9 | Very high | 88 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 159.2 | 170.1 | -22.2 | 32.8 | 0 | 0 | 0 | 112.6 | R354 L357 | P349-R354 HydrophobicContact CB-CG 4.24Å; P349-R354 VanDerWaalsContact O-CD 3.29Å; P349-R354 WeakPolarHBondContact O-CD 3.43Å; P349-R354 WeakPolarHBondContact O-CG 3.19Å; P349-L357 HydrophobicContact CG-CD1 3.95Å |
| 350 | C | 93.5 | Very high | 87.9 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -57 | 159 | 170.8 | 72 | 0 | 0 | 0 | 0 | 111.8 | E342 I352 S353 R354 | E342-C350 HydrophobicContact CG-CB 4.22Å; C350-I352 VanDerWaalsContact C-N 3.3Å; C350-I352 PolarHBondContact O-N 3.35Å; C350-S353 PolarHBondContact O-N 3.48Å; C350-S353 PolarHBondContact SG-OG 3.22Å; C350-S353 VanDerWaalsContact SG-OG 3.33Å; C350-R354 PolarHBondContact O-N 2.9Å |
| 351 | L | 93.8 | Very high | 87.8 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -37.2 | -168.5 | -66.2 | 176.5 | 0 | 0 | 0 | 113.7 | I198 V202 C339 L355 | I198-L351 HydrophobicContact CG2-CB 4.39Å; I198-L351 HydrophobicContact CG2-CD1 3.83Å; V202-L351 HydrophobicContact CB-CD2 4.34Å; V202-L351 HydrophobicContact CG1-CD2 4.14Å; V202-L351 HydrophobicContact CG2-CB 3.99Å; V202-L351 HydrophobicContact CG2-CD2 4.29Å; C339-L351 PolarHBondContact O-N 2.79Å; C339-L351 VanDerWaalsContact O-N 3.1Å; L351-L355 PolarHBondContact O-N 3.32Å |
| 352 | I | 94.7 | Very high | 87.9 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -40.4 | 175 | -172.8 | 59.8 | 0 | 0 | 0 | 112 | C339 L340 C350 R354 L355 M356 L370 I374 F378 F388 | C339-I352 HydrophobicContact CB-CB 4.12Å; C339-I352 HydrophobicContact CB-CG2 4.37Å; C339-I352 PolarHBondContact O-N 2.65Å; L340-I352 HydrophobicContact CD2-CG2 3.97Å; C350-I352 VanDerWaalsContact C-N 3.3Å; C350-I352 PolarHBondContact O-N 3.35Å; I352-R354 VanDerWaalsContact C-N 3.33Å; I352-R354 PolarHBondContact O-N 2.66Å; I352-L355 PolarHBondContact O-N 3.2Å; I352-L355 VanDerWaalsContact O-N 3.16Å; I352-M356 WeakPolarHBondContact O-CG 3.29Å; I352-M356 PolarHBondContact O-N 2.99Å; I352-L370 HydrophobicContact CD1-CD1 4Å; I352-I374 HydrophobicContact CD1-CD1 4.18Å; I352-I374 HydrophobicContact CD1-CG1 4.03Å; I352-F378 HydrophobicContact CB-CE2 4.47Å; I352-F378 HydrophobicContact CB-CZ 4.3Å; I352-F378 HydrophobicContact CD1-CE2 4.3Å; I352-F378 HydrophobicContact CG1-CE2 4.07Å; I352-F378 HydrophobicContact CG1-CZ 4.24Å; I352-F378 HydrophobicContact CG2-CZ 4.17Å; I352-F388 HydrophobicContact CD1-CE2 4.19Å; I352-F388 HydrophobicContact CG1-CD2 3.93Å; I352-F388 HydrophobicContact CG1-CE2 3.77Å |
| 353 | S | 95.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -33.9 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | C350 M356 L357 E391 | C350-S353 PolarHBondContact O-N 3.48Å; C350-S353 PolarHBondContact SG-OG 3.22Å; C350-S353 VanDerWaalsContact SG-OG 3.33Å; S353-M356 PolarHBondContact O-N 2.98Å; S353-L357 WeakPolarHBondContact O-CB 3.2Å; S353-L357 VanDerWaalsContact O-CG 3.26Å; S353-L357 WeakPolarHBondContact O-CG 3.47Å; S353-L357 PolarHBondContact O-N 3.38Å; S353-E391 PolarHBondContact OG-OE2 3.05Å |
| 354 | R | 94.3 | Very high | 89 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 16% | 0.158 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 168.4 | -73.8 | 171.9 | 64.8 | -174.6 | -0.6 | 111.7 | V202 P349 C350 I352 W358 | V202-R354 HydrophobicContact CG1-CB 4.35Å; P349-R354 HydrophobicContact CB-CG 4.24Å; P349-R354 VanDerWaalsContact O-CD 3.29Å; P349-R354 WeakPolarHBondContact O-CD 3.43Å; P349-R354 WeakPolarHBondContact O-CG 3.19Å; C350-R354 PolarHBondContact O-N 2.9Å; I352-R354 VanDerWaalsContact C-N 3.33Å; I352-R354 PolarHBondContact O-N 2.66Å; R354-W358 WeakPolarHBondContact O-CB 3.46Å; R354-W358 VanDerWaalsContact O-CD1 3.25Å; R354-W358 PolarHBondContact O-N 3.12Å |
| 355 | L | 94.3 | Very high | 89.9 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 176.9 | -75.7 | 168.6 | 0 | 0 | 0 | 112.8 | V202 T205 I206 L351 I352 W358 D359 L370 | V202-L355 HydrophobicContact CB-CG 4.47Å; V202-L355 HydrophobicContact CG1-CD2 4.48Å; V202-L355 HydrophobicContact CG1-CG 4.23Å; V202-L355 HydrophobicContact CG2-CD1 3.63Å; V202-L355 HydrophobicContact CG2-CD2 4.49Å; V202-L355 HydrophobicContact CG2-CG 3.96Å; T205-L355 HydrophobicContact CG2-CD2 4.17Å; I206-L355 HydrophobicContact CG2-CD2 4.12Å; L351-L355 PolarHBondContact O-N 3.32Å; I352-L355 PolarHBondContact O-N 3.2Å; I352-L355 VanDerWaalsContact O-N 3.16Å; L355-W358 PolarHBondContact O-N 3.15Å; L355-D359 PolarHBondContact O-N 3.25Å; L355-L370 HydrophobicContact CB-CD1 3.85Å; L355-L370 HydrophobicContact CB-CD2 4.28Å; L355-L370 HydrophobicContact CD1-CD1 4.05Å; L355-L370 HydrophobicContact CG-CD1 4.48Å |
| 356 | M | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 176.9 | -67.4 | -166.5 | -69.1 | 0 | 0 | 112 | I352 S353 W358 D359 F388 E391 F392 L399 I414 | I352-M356 WeakPolarHBondContact O-CG 3.29Å; I352-M356 PolarHBondContact O-N 2.99Å; S353-M356 PolarHBondContact O-N 2.98Å; M356-W358 PolarHBondContact O-N 3.37Å; M356-D359 VanDerWaalsContact O-CB 3.29Å; M356-D359 WeakPolarHBondContact O-CB 3.37Å; M356-D359 PolarHBondContact O-N 3.25Å; M356-D359 VanDerWaalsContact O-N 3.1Å; M356-F388 HydrophobicContact CE-CE2 4.45Å; M356-F388 HydrophobicContact CG-CE2 4.41Å; M356-F388 HydrophobicContact SD-CD2 4.49Å; M356-F388 HydrophobicContact SD-CE2 3.59Å; M356-F388 VanDerWaalsContact SD-CE2 3.59Å; M356-F388 HydrophobicContact SD-CZ 3.61Å; M356-E391 HydrophobicContact CE-CB 3.99Å; M356-F392 HydrophobicContact SD-CB 4.41Å; M356-F392 HydrophobicContact SD-CD2 4.15Å; M356-L399 VanDerWaalsContact C-CD2 3.49Å; M356-L399 HydrophobicContact CB-CD1 4.43Å; M356-L399 HydrophobicContact CB-CD2 4.17Å; M356-L399 WeakPolarHBondContact O-CD2 3.42Å; M356-I414 HydrophobicContact CB-CG1 4.29Å; M356-I414 HydrophobicContact CG-CD1 3.92Å; M356-I414 HydrophobicContact CG-CG1 3.85Å; M356-I414 HydrophobicContact SD-CD1 4.46Å; M356-I414 HydrophobicContact SD-CG1 4.2Å |
| 357 | L | 95.2 | Very high | 92 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -5.5 | 176.6 | -70 | 170.8 | 0 | 0 | 0 | 114.1 | P349 S353 Y395 Q398 L399 | P349-L357 HydrophobicContact CG-CD1 3.95Å; S353-L357 WeakPolarHBondContact O-CB 3.2Å; S353-L357 VanDerWaalsContact O-CG 3.26Å; S353-L357 WeakPolarHBondContact O-CG 3.47Å; S353-L357 PolarHBondContact O-N 3.38Å; L357-Y395 HydrophobicContact CD1-CD1 3.9Å; L357-Y395 HydrophobicContact CD1-CE1 3.88Å; L357-Y395 HydrophobicContact CD1-CG 4.29Å; L357-Y395 HydrophobicContact CD2-CD1 3.76Å; L357-Y395 HydrophobicContact CD2-CG 3.96Å; L357-Y395 HydrophobicContact CG-CD1 4.2Å; L357-Y395 HydrophobicContact CG-CG 4.24Å; L357-Q398 HydrophobicContact CD2-CB 4.35Å; L357-Q398 VanDerWaalsContact CD2-CD 3.49Å; L357-Q398 HydrophobicContact CD2-CG 3.99Å; L357-L399 HydrophobicContact CD2-CD2 4.22Å |
| 358 | W | 94.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 32 Ų | 32 | 20% | 0.201 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -12.3 | 178 | -96.9 | 84.1 | 0 | 0 | 0 | 113.4 | I206 E208 R354 L355 M356 A360 K361 L362 | I206-W358 HydrophobicContact CB-CD2 3.6Å; I206-W358 HydrophobicContact CB-CE3 3.95Å; I206-W358 HydrophobicContact CB-CG 3.83Å; I206-W358 HydrophobicContact CB-CZ2 4.45Å; I206-W358 HydrophobicContact CB-CZ3 4.49Å; I206-W358 HydrophobicContact CG2-CB 3.71Å; I206-W358 HydrophobicContact CG2-CD2 3.74Å; I206-W358 HydrophobicContact CG2-CE3 4.14Å; I206-W358 HydrophobicContact CG2-CG 3.49Å; I206-W358 VanDerWaalsContact CG2-CG 3.49Å; E208-W358 HydrophobicContact CG-CH2 3.35Å; E208-W358 HydrophobicContact CG-CZ2 3.89Å; E208-W358 HydrophobicContact CG-CZ3 4.41Å; E208-W358 WeakPolarHBondContact OE1-CH2 3.27Å; E208-W358 WeakPolarHBondContact OE1-CZ2 3.44Å; R354-W358 WeakPolarHBondContact O-CB 3.46Å; R354-W358 VanDerWaalsContact O-CD1 3.25Å; R354-W358 PolarHBondContact O-N 3.12Å; L355-W358 PolarHBondContact O-N 3.15Å; M356-W358 PolarHBondContact O-N 3.37Å; W358-A360 PolarHBondContact O-N 3.44Å; W358-K361 HydrophobicContact CD2-CD 4.22Å; W358-K361 HydrophobicContact CE3-CB 3.69Å; W358-K361 HydrophobicContact CE3-CD 3.7Å; W358-K361 HydrophobicContact CE3-CG 4.33Å; W358-K361 HydrophobicContact CH2-CD 3.39Å; W358-K361 HydrophobicContact CZ2-CD 3.98Å; W358-K361 HydrophobicContact CZ3-CB 3.62Å; W358-K361 HydrophobicContact CZ3-CD 3.26Å; W358-K361 HydrophobicContact CZ3-CG 4.13Å; W358-K361 PolarHBondContact O-N 3.32Å; W358-L362 HydrophobicContact CE3-CD2 4.34Å; W358-L362 WeakPolarHBondContact O-CG 3.5Å; W358-L362 PolarHBondContact O-N 3.2Å |
| 359 | D | 94.9 | Very high | 93 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -46.6 | -51.8 | -172.5 | -178.4 | 73.8 | 0 | 0 | 0 | 113.3 | L355 M356 K361 L362 R367 H371 S413 I414 | L355-D359 PolarHBondContact O-N 3.25Å; M356-D359 VanDerWaalsContact O-CB 3.29Å; M356-D359 WeakPolarHBondContact O-CB 3.37Å; M356-D359 PolarHBondContact O-N 3.25Å; M356-D359 VanDerWaalsContact O-N 3.1Å; D359-K361 PolarHBondContact O-N 3.43Å; D359-K361 VanDerWaalsContact O-N 3.16Å; D359-L362 WeakPolarHBondContact O-CB 3.17Å; D359-L362 PolarHBondContact O-N 2.92Å; D359-R367 PolarHBondContact O-NE 2.96Å; D359-R367 PolarHBondContact O-NH2 2.69Å; D359-R367 IonicContact OD2-NH1 2.99Å; D359-H371 IonicContact OD1-NE2 2.73Å; D359-H371 PolarHBondContact OD1-NE2 3.38Å; D359-S413 WeakPolarHBondContact OD2-CA 3.46Å; D359-S413 WeakPolarHBondContact OD2-CB 3.47Å; D359-S413 PolarHBondContact OD2-OG 3.48Å; D359-I414 HydrophobicContact CB-CB 3.96Å; D359-I414 HydrophobicContact CB-CG2 3.65Å; D359-I414 PolarHBondContact OD1-N 2.69Å; D359-I414 PolarHBondContact OD2-N 2.93Å |
| 360 | A | 92.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 27 Ų | 27 | 22% | 0.223 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -64.2 | -20.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W358 R367 E402 D406 | W358-A360 PolarHBondContact O-N 3.44Å; A360-R367 PolarHBondContact O-NH2 2.9Å; A360-R367 VanDerWaalsContact O-NH2 3.13Å; A360-E402 HydrophobicContact CB-CB 3.82Å; A360-D406 HydrophobicContact CB-CB 4.35Å |
| 361 | K | 91.7 | Very high | 93 | Very high | 132 Ų | 132 | 27.5 Ų | 27.5 | 57% | 0.574 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | -92.4 | -15.2 | 173.5 | -66.4 | -178.5 | 175.1 | -178.2 | 0 | 113.1 | E208 W358 D359 | E208-K361 IonicContact OE1-NZ 2.83Å; E208-K361 PolarHBondContact OE1-NZ 3.27Å; W358-K361 HydrophobicContact CD2-CD 4.22Å; W358-K361 HydrophobicContact CE3-CB 3.69Å; W358-K361 HydrophobicContact CE3-CD 3.7Å; W358-K361 HydrophobicContact CE3-CG 4.33Å; W358-K361 HydrophobicContact CH2-CD 3.39Å; W358-K361 HydrophobicContact CZ2-CD 3.98Å; W358-K361 HydrophobicContact CZ3-CB 3.62Å; W358-K361 HydrophobicContact CZ3-CD 3.26Å; W358-K361 HydrophobicContact CZ3-CG 4.13Å; W358-K361 PolarHBondContact O-N 3.32Å; D359-K361 PolarHBondContact O-N 3.43Å; D359-K361 VanDerWaalsContact O-N 3.16Å |
| 362 | L | 92.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -77.7 | 138.7 | -178.2 | -65.5 | -176.4 | 0 | 0 | 0 | 110.8 | T205 W358 D359 A366 R367 L370 | T205-L362 HydrophobicContact CG2-CD1 4.04Å; T205-L362 HydrophobicContact CG2-CD2 3.66Å; T205-L362 WeakPolarHBondContact O-CD2 3.5Å; W358-L362 HydrophobicContact CE3-CD2 4.34Å; W358-L362 WeakPolarHBondContact O-CG 3.5Å; W358-L362 PolarHBondContact O-N 3.2Å; D359-L362 WeakPolarHBondContact O-CB 3.17Å; D359-L362 PolarHBondContact O-N 2.92Å; L362-A366 HydrophobicContact CB-CB 4.11Å; L362-A366 HydrophobicContact CD1-CB 4.38Å; L362-A366 HydrophobicContact CD2-CB 4.39Å; L362-R367 HydrophobicContact CB-CG 3.72Å; L362-R367 PolarHBondContact O-NE 3.31Å; L362-R367 PolarHBondContact O-NH2 3.26Å; L362-L370 HydrophobicContact CD1-CD2 4.4Å |
| 363 | Y | 91.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | trans | -70 | 152.4 | 170.9 | 62.1 | -83.8 | 0 | 0 | 0 | 111.5 | E266 R268 L315 G365 A366 R367 | E266-Y363 WeakPolarHBondContact O-CD2 3.35Å; R268-Y363 HydrophobicContact CG-CD2 3.94Å; R268-Y363 HydrophobicContact CG-CE2 4.18Å; R268-Y363 HydrophobicContact CG-CG 4.19Å; R268-Y363 VanDerWaalsContact CZ-CE1 3.43Å; R268-Y363 VanDerWaalsContact NE-CZ 3.32Å; R268-Y363 PolarHBondContact NH2-OH 3.36Å; L315-Y363 HydrophobicContact CD1-CE2 3.86Å; L315-Y363 VanDerWaalsContact CD1-OH 3.25Å; L315-Y363 WeakPolarHBondContact CD1-OH 3.38Å; Y363-G365 VanDerWaalsContact C-N 3.29Å; Y363-G365 PolarHBondContact O-N 3.37Å; Y363-A366 HydrophobicContact CD1-CB 4.15Å; Y363-A366 HydrophobicContact CD2-CB 4.46Å; Y363-A366 HydrophobicContact CE1-CB 3.91Å; Y363-A366 HydrophobicContact CE2-CB 4.26Å; Y363-A366 HydrophobicContact CG-CB 4.41Å; Y363-A366 WeakPolarHBondContact O-CA 2.86Å; Y363-A366 WeakPolarHBondContact O-CB 3.33Å; Y363-A366 PolarHBondContact O-N 2.73Å; Y363-R367 PolarHBondContact O-N 2.93Å; Y363-R367 VanDerWaalsContact O-N 3.15Å | ||
| 364 | K | 90.3 | Very high | 92.7 | Very high | 38 Ų | 38 | 29.9 Ų | 29.9 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -34.6 | -50.1 | -180 | -160.6 | 154.8 | 174.3 | 176.5 | 0 | 115 | E234 D264 A366 K368 I412 | E234-K364 IonicContact OE1-NZ 2.27Å; E234-K364 PolarHBondContact OE1-NZ 3.46Å; E234-K364 IonicContact OE2-NZ 3.06Å; D264-K364 VanDerWaalsContact O-CD 3.27Å; D264-K364 WeakPolarHBondContact O-CD 3.45Å; D264-K364 WeakPolarHBondContact O-CE 3.12Å; D264-K364 PolarHBondContact O-NZ 3.33Å; D264-K364 IonicContact OD1-NZ 2.93Å; D264-K364 PolarHBondContact OD1-NZ 3.29Å; K364-A366 PolarHBondContact O-N 3.28Å; K364-K368 WeakPolarHBondContact O-CB 3.42Å; K364-K368 PolarHBondContact O-N 3.37Å; K364-I412 HydrophobicContact CB-CD1 4.46Å; K364-I412 HydrophobicContact CD-CD1 4.15Å; K364-I412 HydrophobicContact CG-CD1 3.79Å |
| 365 | G | 90.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | E266 Y363 I369 | E266-G365 WeakPolarHBondContact O-CA 3.16Å; E266-G365 PolarHBondContact O-N 3.39Å; Y363-G365 VanDerWaalsContact C-N 3.29Å; Y363-G365 PolarHBondContact O-N 3.37Å; G365-I369 PolarHBondContact O-N 2.82Å |
| 366 | A | 92.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T205 L315 L362 Y363 K364 K368 I369 L370 | T205-A366 HydrophobicContact CG2-CB 4.14Å; L315-A366 HydrophobicContact CD1-CB 4.37Å; L315-A366 HydrophobicContact CD2-CB 3.95Å; L362-A366 HydrophobicContact CB-CB 4.11Å; L362-A366 HydrophobicContact CD1-CB 4.38Å; L362-A366 HydrophobicContact CD2-CB 4.39Å; Y363-A366 HydrophobicContact CD1-CB 4.15Å; Y363-A366 HydrophobicContact CD2-CB 4.46Å; Y363-A366 HydrophobicContact CE1-CB 3.91Å; Y363-A366 HydrophobicContact CE2-CB 4.26Å; Y363-A366 HydrophobicContact CG-CB 4.41Å; Y363-A366 WeakPolarHBondContact O-CA 2.86Å; Y363-A366 WeakPolarHBondContact O-CB 3.33Å; Y363-A366 PolarHBondContact O-N 2.73Å; K364-A366 PolarHBondContact O-N 3.28Å; A366-K368 VanDerWaalsContact C-N 3.27Å; A366-K368 PolarHBondContact O-N 2.96Å; A366-I369 PolarHBondContact O-N 3.42Å; A366-L370 PolarHBondContact O-N 2.75Å |
| 367 | R | 92.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.5 | -40.4 | 174.2 | -59.6 | -168.5 | -161.2 | -159.6 | 7.5 | 111.9 | D359 A360 L362 Y363 I369 L370 H371 D406 H408 I412 | D359-R367 PolarHBondContact O-NE 2.96Å; D359-R367 PolarHBondContact O-NH2 2.69Å; D359-R367 IonicContact OD2-NH1 2.99Å; A360-R367 PolarHBondContact O-NH2 2.9Å; A360-R367 VanDerWaalsContact O-NH2 3.13Å; L362-R367 HydrophobicContact CB-CG 3.72Å; L362-R367 PolarHBondContact O-NE 3.31Å; L362-R367 PolarHBondContact O-NH2 3.26Å; Y363-R367 PolarHBondContact O-N 2.93Å; Y363-R367 VanDerWaalsContact O-N 3.15Å; R367-I369 PolarHBondContact O-N 2.83Å; R367-L370 WeakPolarHBondContact O-CB 3.45Å; R367-L370 PolarHBondContact O-N 2.92Å; R367-H371 PolarHBondContact O-CD2 3.08Å; R367-H371 PolarHBondContact O-N 2.8Å; R367-D406 IonicContact CZ-OD1 3.45Å; R367-D406 IonicContact CZ-OD2 2.76Å; R367-D406 IonicContact NH1-OD1 3.44Å; R367-D406 IonicContact NH1-OD2 3.46Å; R367-D406 PolarHBondContact NH1-OD2 3.37Å; R367-D406 IonicContact NH2-OD1 3.3Å; R367-D406 PolarHBondContact NH2-OD1 3.35Å; R367-D406 IonicContact NH2-OD2 3.76Å; R367-D406 PolarHBondContact NH2-OD2 3.4Å; R367-H408 PolarHBondContact NH2-ND1 2.75Å; R367-I412 VanDerWaalsContact CB-O 3.31Å; R367-I412 WeakPolarHBondContact CB-O 3.32Å; R367-I412 WeakPolarHBondContact CD-O 3.35Å |
| 368 | K | 89.9 | Confident | 91.8 | Very high | 121 Ų | 121 | 27.1 Ų | 27.1 | 53% | 0.526 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.2 | -45 | 175.7 | -178.6 | -179.8 | 168.9 | -171.5 | 0 | 112.7 | K364 A366 H371 E372 | K364-K368 WeakPolarHBondContact O-CB 3.42Å; K364-K368 PolarHBondContact O-N 3.37Å; A366-K368 VanDerWaalsContact C-N 3.27Å; A366-K368 PolarHBondContact O-N 2.96Å; K368-H371 PolarHBondContact O-N 2.95Å; K368-E372 WeakPolarHBondContact CE-OE1 3.28Å; K368-E372 IonicContact NZ-OE1 3.44Å; K368-E372 WeakPolarHBondContact O-CB 3.43Å; K368-E372 WeakPolarHBondContact O-CG 3.3Å; K368-E372 PolarHBondContact O-N 3.28Å |
| 369 | I | 91.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 24.8 Ų | 24.8 | 9% | 0.092 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 176.2 | -65.7 | -62.5 | 0 | 0 | 0 | 111.2 | L315 S319 G365 A366 R367 E372 L373 | L315-I369 HydrophobicContact CB-CG1 4.18Å; L315-I369 HydrophobicContact CD2-CB 4.23Å; L315-I369 HydrophobicContact CD2-CG1 4.17Å; L315-I369 HydrophobicContact CD2-CG2 4.5Å; S319-I369 WeakPolarHBondContact OG-CD1 3.49Å; G365-I369 PolarHBondContact O-N 2.82Å; A366-I369 PolarHBondContact O-N 3.42Å; R367-I369 PolarHBondContact O-N 2.83Å; I369-E372 PolarHBondContact O-N 3.28Å; I369-L373 HydrophobicContact CG2-CD1 3.96Å; I369-L373 HydrophobicContact CG2-CG 4.33Å; I369-L373 WeakPolarHBondContact O-CB 3.43Å; I369-L373 VanDerWaalsContact O-CG 3.27Å; I369-L373 WeakPolarHBondContact O-CG 3.47Å; I369-L373 PolarHBondContact O-N 3.12Å |
| 370 | L | 93.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 173.6 | 175 | 58.3 | 0 | 0 | 0 | 111.8 | I352 L355 L362 A366 R367 L373 I374 I414 | I352-L370 HydrophobicContact CD1-CD1 4Å; L355-L370 HydrophobicContact CB-CD1 3.85Å; L355-L370 HydrophobicContact CB-CD2 4.28Å; L355-L370 HydrophobicContact CD1-CD1 4.05Å; L355-L370 HydrophobicContact CG-CD1 4.48Å; L362-L370 HydrophobicContact CD1-CD2 4.4Å; A366-L370 PolarHBondContact O-N 2.75Å; R367-L370 WeakPolarHBondContact O-CB 3.45Å; R367-L370 PolarHBondContact O-N 2.92Å; L370-L373 PolarHBondContact O-N 3.3Å; L370-I374 HydrophobicContact CD1-CD1 3.76Å; L370-I374 HydrophobicContact CD1-CG1 4.3Å; L370-I374 HydrophobicContact CG-CD1 3.97Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.85Å; L370-I414 HydrophobicContact CD2-CD1 4.21Å; L370-I414 HydrophobicContact CG-CD1 4.4Å |
| 371 | H | 91.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.065 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 175.8 | -81.1 | -133.4 | 0 | 0 | 0 | 111.6 | D359 R367 K368 L373 I374 F375 S411 I412 S413 I414 | D359-H371 IonicContact OD1-NE2 2.73Å; D359-H371 PolarHBondContact OD1-NE2 3.38Å; R367-H371 PolarHBondContact O-CD2 3.08Å; R367-H371 PolarHBondContact O-N 2.8Å; K368-H371 PolarHBondContact O-N 2.95Å; H371-L373 VanDerWaalsContact C-N 3.3Å; H371-L373 PolarHBondContact O-N 3.48Å; H371-I374 PolarHBondContact O-N 3.22Å; H371-I374 VanDerWaalsContact O-N 3.14Å; H371-F375 HydrophobicContact CB-CD2 4.25Å; H371-F375 HydrophobicContact CB-CE2 4.17Å; H371-F375 WeakPolarHBondContact O-CD2 3.47Å; H371-F375 PolarHBondContact O-N 2.74Å; H371-S411 PolarHBondContact CE1-O 2.91Å; H371-S411 VanDerWaalsContact CE1-O 3.25Å; H371-I412 VanDerWaalsContact CE1-C 3.46Å; H371-I412 PolarHBondContact NE2-O 3.15Å; H371-S413 PolarHBondContact CE1-O 3.07Å; H371-S413 WeakPolarHBondContact NE2-CA 3.46Å; H371-S413 PolarHBondContact NE2-N 3.33Å; H371-S413 PolarHBondContact NE2-O 3.21Å; H371-I414 WeakPolarHBondContact NE2-CA 3.32Å; H371-I414 PolarHBondContact NE2-N 2.79Å |
| 372 | E | 89.7 | Confident | 90.5 | Very high | 59 Ų | 59 | 23.9 Ų | 23.9 | 28% | 0.276 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 178.1 | -78.6 | -177.8 | -163.2 | 0 | 0 | 112.2 | N322 K368 I369 S376 | N322-E372 PolarHBondContact ND2-OE2 3.48Å; K368-E372 WeakPolarHBondContact CE-OE1 3.28Å; K368-E372 IonicContact NZ-OE1 3.44Å; K368-E372 WeakPolarHBondContact O-CB 3.43Å; K368-E372 WeakPolarHBondContact O-CG 3.3Å; K368-E372 PolarHBondContact O-N 3.28Å; I369-E372 PolarHBondContact O-N 3.28Å; E372-S376 VanDerWaalsContact O-CB 3.24Å; E372-S376 WeakPolarHBondContact O-CB 3.13Å; E372-S376 PolarHBondContact O-N 3.17Å; E372-S376 PolarHBondContact O-OG 3.4Å |
| 373 | L | 92.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 175.2 | -73.1 | 171.3 | 0 | 0 | 0 | 112.3 | M321 N322 M325 F335 I369 L370 H371 S376 S377 | M321-L373 HydrophobicContact CB-CD2 4.17Å; M321-L373 HydrophobicContact CG-CD2 4.23Å; N322-L373 HydrophobicContact CB-CD2 4.36Å; M325-L373 HydrophobicContact CE-CD2 3.55Å; F335-L373 HydrophobicContact CE2-CD2 4.22Å; F335-L373 HydrophobicContact CZ-CB 4.22Å; F335-L373 HydrophobicContact CZ-CD1 4.49Å; F335-L373 HydrophobicContact CZ-CD2 4.09Å; I369-L373 HydrophobicContact CG2-CD1 3.96Å; I369-L373 HydrophobicContact CG2-CG 4.33Å; I369-L373 WeakPolarHBondContact O-CB 3.43Å; I369-L373 VanDerWaalsContact O-CG 3.27Å; I369-L373 WeakPolarHBondContact O-CG 3.47Å; I369-L373 PolarHBondContact O-N 3.12Å; L370-L373 PolarHBondContact O-N 3.3Å; H371-L373 VanDerWaalsContact C-N 3.3Å; H371-L373 PolarHBondContact O-N 3.48Å; L373-S376 WeakPolarHBondContact CA-OG 3.49Å; L373-S376 PolarHBondContact O-OG 3.42Å; L373-S377 WeakPolarHBondContact O-CB 3.37Å; L373-S377 PolarHBondContact O-N 3.08Å; L373-S377 VanDerWaalsContact O-N 3.17Å; L373-S377 PolarHBondContact O-OG 2.93Å |
| 374 | I | 94.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 178.6 | -65.6 | 161.5 | 0 | 0 | 0 | 111.3 | I352 L370 H371 S376 S377 F378 F379 F388 I414 L417 | I352-I374 HydrophobicContact CD1-CD1 4.18Å; I352-I374 HydrophobicContact CD1-CG1 4.03Å; L370-I374 HydrophobicContact CD1-CD1 3.76Å; L370-I374 HydrophobicContact CD1-CG1 4.3Å; L370-I374 HydrophobicContact CG-CD1 3.97Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.85Å; H371-I374 PolarHBondContact O-N 3.22Å; H371-I374 VanDerWaalsContact O-N 3.14Å; I374-S376 PolarHBondContact O-N 3.37Å; I374-S377 PolarHBondContact O-N 3.17Å; I374-F378 HydrophobicContact CG2-CB 4.38Å; I374-F378 PolarHBondContact O-N 3.25Å; I374-F378 VanDerWaalsContact O-N 3.15Å; I374-F379 HydrophobicContact CG2-CD1 4.16Å; I374-F379 HydrophobicContact CG2-CD2 4.4Å; I374-F379 HydrophobicContact CG2-CE1 3.98Å; I374-F379 HydrophobicContact CG2-CE2 4.19Å; I374-F379 HydrophobicContact CG2-CG 4.38Å; I374-F379 HydrophobicContact CG2-CZ 4Å; I374-F379 PolarHBondContact O-N 3.48Å; I374-F388 HydrophobicContact CD1-CE2 3.87Å; I374-F388 HydrophobicContact CD1-CZ 3.89Å; I374-F388 HydrophobicContact CG1-CE2 4.07Å; I374-F388 HydrophobicContact CG1-CZ 4.4Å; I374-F388 HydrophobicContact CG2-CE1 4.27Å; I374-F388 HydrophobicContact CG2-CE2 4.14Å; I374-F388 HydrophobicContact CG2-CZ 3.99Å; I374-I414 HydrophobicContact CD1-CD1 3.43Å; I374-I414 VanDerWaalsContact CD1-CD1 3.43Å; I374-L417 HydrophobicContact CB-CD1 4.4Å; I374-L417 HydrophobicContact CD1-CD1 3.82Å; I374-L417 HydrophobicContact CG2-CD1 3.94Å |
| 375 | F | 89.4 | Confident | 90.6 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.6 | -77 | -60.7 | 0 | 0 | 0 | 112.1 | V102 F148 H371 S377 F379 M380 L417 Q420 | V102-F375 HydrophobicContact CG1-CD2 4.32Å; V102-F375 HydrophobicContact CG2-CB 3.68Å; V102-F375 HydrophobicContact CG2-CD1 4.41Å; V102-F375 HydrophobicContact CG2-CD2 4.02Å; V102-F375 HydrophobicContact CG2-CG 3.79Å; F148-F375 AromaticContact CD1-CD1 3.47Å; F148-F375 HydrophobicContact CD1-CD1 3.47Å; F148-F375 VanDerWaalsContact CD1-CD1 3.47Å; F148-F375 AromaticContact CD1-CE1 3.43Å; F148-F375 HydrophobicContact CD1-CE1 3.43Å; F148-F375 VanDerWaalsContact CD1-CE1 3.43Å; F148-F375 AromaticContact CE1-CD1 3.97Å; F148-F375 HydrophobicContact CE1-CD1 3.97Å; F148-F375 AromaticContact CE1-CE1 3.9Å; F148-F375 HydrophobicContact CE1-CE1 3.9Å; F148-F375 HydrophobicContact CG-CD1 4.35Å; H371-F375 HydrophobicContact CB-CD2 4.25Å; H371-F375 HydrophobicContact CB-CE2 4.17Å; H371-F375 WeakPolarHBondContact O-CD2 3.47Å; H371-F375 PolarHBondContact O-N 2.74Å; F375-S377 VanDerWaalsContact C-N 3.32Å; F375-S377 PolarHBondContact O-N 3.13Å; F375-F379 AromaticContact CD1-CD2 3.58Å; F375-F379 HydrophobicContact CD1-CD2 3.58Å; F375-F379 HydrophobicContact CD1-CE2 4.2Å; F375-F379 AromaticContact CE1-CD2 3.64Å; F375-F379 HydrophobicContact CE1-CD2 3.64Å; F375-F379 AromaticContact CE1-CE2 3.86Å; F375-F379 HydrophobicContact CE1-CE2 3.86Å; F375-M380 WeakPolarHBondContact O-CG 3.26Å; F375-L417 HydrophobicContact CE1-CD2 4.21Å; F375-L417 HydrophobicContact CE2-CD2 3.8Å; F375-L417 HydrophobicContact CZ-CD2 3.41Å; F375-L417 VanDerWaalsContact CZ-CD2 3.41Å; F375-Q420 HydrophobicContact CE1-CG 4.11Å |
| 376 | S | 87.8 | Confident | 90.8 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 15% | 0.147 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -77.7 | -10.9 | -179.1 | 59 | 0 | 0 | 0 | 0 | 114.6 | N322 M325 R332 E372 L373 I374 | N322-S376 WeakPolarHBondContact OD1-CB 3.26Å; N322-S376 PolarHBondContact OD1-OG 3.39Å; M325-S376 WeakPolarHBondContact CE-OG 3.22Å; R332-S376 WeakPolarHBondContact CD-O 3.29Å; R332-S376 WeakPolarHBondContact CG-O 3.14Å; E372-S376 VanDerWaalsContact O-CB 3.24Å; E372-S376 WeakPolarHBondContact O-CB 3.13Å; E372-S376 PolarHBondContact O-N 3.17Å; E372-S376 PolarHBondContact O-OG 3.4Å; L373-S376 WeakPolarHBondContact CA-OG 3.49Å; L373-S376 PolarHBondContact O-OG 3.42Å; I374-S376 PolarHBondContact O-N 3.37Å |
| 377 | S | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -85.2 | -178.9 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | F335 L373 I374 F375 F379 M380 | F335-S377 WeakPolarHBondContact CD1-OG 3.07Å; F335-S377 VanDerWaalsContact CE1-OG 3.3Å; F335-S377 WeakPolarHBondContact CE1-OG 3.42Å; L373-S377 WeakPolarHBondContact O-CB 3.37Å; L373-S377 PolarHBondContact O-N 3.08Å; L373-S377 VanDerWaalsContact O-N 3.17Å; L373-S377 PolarHBondContact O-OG 2.93Å; I374-S377 PolarHBondContact O-N 3.17Å; F375-S377 VanDerWaalsContact C-N 3.32Å; F375-S377 PolarHBondContact O-N 3.13Å; S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact O-N 3.41Å; S377-M380 PolarHBondContact O-N 3.16Å; S377-M380 VanDerWaalsContact O-N 3.13Å |
| 378 | F | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -54.3 | -42.1 | -173.3 | -71.5 | -84.8 | 0 | 0 | 0 | 112.6 | F335 C336 C339 L340 I352 I374 M380 E381 K385 F388 | F335-F378 HydrophobicContact CE1-CE2 4.13Å; C336-F378 HydrophobicContact CB-CD1 4.06Å; C336-F378 HydrophobicContact CB-CE1 3.75Å; C336-F378 HydrophobicContact CB-CZ 4.07Å; C336-F378 VanDerWaalsContact SG-CD1 3.6Å; C339-F378 HydrophobicContact CB-CE2 4.15Å; C339-F378 HydrophobicContact CB-CZ 3.72Å; L340-F378 HydrophobicContact CD1-CE1 3.95Å; L340-F378 HydrophobicContact CD2-CE1 4.23Å; L340-F378 HydrophobicContact CG-CE1 3.91Å; L340-F378 HydrophobicContact CG-CZ 4.27Å; I352-F378 HydrophobicContact CB-CE2 4.47Å; I352-F378 HydrophobicContact CB-CZ 4.3Å; I352-F378 HydrophobicContact CD1-CE2 4.3Å; I352-F378 HydrophobicContact CG1-CE2 4.07Å; I352-F378 HydrophobicContact CG1-CZ 4.24Å; I352-F378 HydrophobicContact CG2-CZ 4.17Å; I374-F378 HydrophobicContact CG2-CB 4.38Å; I374-F378 PolarHBondContact O-N 3.25Å; I374-F378 VanDerWaalsContact O-N 3.15Å; F378-M380 VanDerWaalsContact C-N 3.34Å; F378-M380 PolarHBondContact O-N 3.16Å; F378-E381 PolarHBondContact O-N 3.06Å; F378-E381 VanDerWaalsContact O-O 3.12Å; F378-K385 WeakPolarHBondContact O-CA 3.26Å; F378-K385 WeakPolarHBondContact O-CB 3.34Å; F378-K385 PolarHBondContact O-N 2.68Å; F378-F388 HydrophobicContact CB-CB 4.16Å; F378-F388 HydrophobicContact CB-CG 4.4Å; F378-F388 HydrophobicContact CD1-CB 3.65Å; F378-F388 HydrophobicContact CD1-CD2 4.31Å; F378-F388 HydrophobicContact CD1-CG 4.34Å; F378-F388 HydrophobicContact CD2-CD2 4.3Å; F378-F388 HydrophobicContact CE1-CB 4.24Å; F378-F388 HydrophobicContact CG-CB 4.03Å; F378-F388 HydrophobicContact CG-CD2 4.16Å; F378-F388 HydrophobicContact CG-CG 4.32Å |
| 379 | F | 90.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -80.3 | -12.7 | -175.2 | -70.9 | -0 | 0 | 0 | 0 | 114.7 | F148 I374 F375 S377 K385 F388 L417 Q420 M421 | F148-F379 HydrophobicContact CE1-CB 4.41Å; F148-F379 AromaticContact CE1-CD2 3.99Å; F148-F379 HydrophobicContact CE1-CD2 3.99Å; I374-F379 HydrophobicContact CG2-CD1 4.16Å; I374-F379 HydrophobicContact CG2-CD2 4.4Å; I374-F379 HydrophobicContact CG2-CE1 3.98Å; I374-F379 HydrophobicContact CG2-CE2 4.19Å; I374-F379 HydrophobicContact CG2-CG 4.38Å; I374-F379 HydrophobicContact CG2-CZ 4Å; I374-F379 PolarHBondContact O-N 3.48Å; F375-F379 AromaticContact CD1-CD2 3.58Å; F375-F379 HydrophobicContact CD1-CD2 3.58Å; F375-F379 HydrophobicContact CD1-CE2 4.2Å; F375-F379 AromaticContact CE1-CD2 3.64Å; F375-F379 HydrophobicContact CE1-CD2 3.64Å; F375-F379 AromaticContact CE1-CE2 3.86Å; F375-F379 HydrophobicContact CE1-CE2 3.86Å; S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact O-N 3.41Å; F379-K385 HydrophobicContact CD1-CB 4.4Å; F379-K385 HydrophobicContact CD1-CG 3.84Å; F379-K385 HydrophobicContact CE1-CG 4.24Å; F379-K385 WeakPolarHBondContact O-CE 3.38Å; F379-K385 PolarHBondContact O-NZ 3.14Å; F379-F388 AromaticContact CE1-CD1 3.64Å; F379-F388 HydrophobicContact CE1-CD1 3.64Å; F379-F388 AromaticContact CE1-CE1 3.9Å; F379-F388 HydrophobicContact CE1-CE1 3.9Å; F379-F388 HydrophobicContact CE1-CG 4.46Å; F379-F388 HydrophobicContact CZ-CD1 4.2Å; F379-F388 AromaticContact CZ-CE1 3.99Å; F379-F388 HydrophobicContact CZ-CE1 3.99Å; F379-L417 HydrophobicContact CE2-CB 4.34Å; F379-L417 HydrophobicContact CE2-CD1 4.42Å; F379-L417 HydrophobicContact CE2-CD2 4.34Å; F379-L417 HydrophobicContact CZ-CB 4.17Å; F379-L417 HydrophobicContact CZ-CD1 4.34Å; F379-Q420 HydrophobicContact CD2-CB 3.97Å; F379-Q420 HydrophobicContact CD2-CG 4.38Å; F379-Q420 HydrophobicContact CE2-CB 3.4Å; F379-Q420 HydrophobicContact CE2-CG 3.85Å; F379-Q420 HydrophobicContact CZ-CB 3.92Å; F379-M421 HydrophobicContact CE1-CG 4.08Å; F379-M421 HydrophobicContact CE1-SD 4.22Å; F379-M421 HydrophobicContact CZ-CG 4.01Å; F379-M421 HydrophobicContact CZ-SD 4.23Å |
| 380 | M | 84.9 | Confident | 91.6 | Very high | 36 Ų | 36 | 29.8 Ų | 29.8 | 18% | 0.177 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -83.3 | -17 | 173.9 | -61 | -58.7 | -73.8 | 0 | 0 | 113.2 | L98 F375 S377 F378 | L98-M380 HydrophobicContact CB-CE 4.12Å; F375-M380 WeakPolarHBondContact O-CG 3.26Å; S377-M380 PolarHBondContact O-N 3.16Å; S377-M380 VanDerWaalsContact O-N 3.13Å; F378-M380 VanDerWaalsContact C-N 3.34Å; F378-M380 PolarHBondContact O-N 3.16Å |
| 381 | E | 83.4 | Confident | 91.7 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -125.2 | 105.9 | -174.1 | -52.7 | -73.2 | 143.8 | 0 | 0 | 109.5 | S329 R332 Q333 F378 E383 Y384 K385 | S329-E381 WeakPolarHBondContact CB-OE1 3.34Å; R332-E381 HydrophobicContact CB-CG 4.19Å; R332-E381 IonicContact CZ-OE1 3.86Å; R332-E381 VanDerWaalsContact CZ-OE1 3.27Å; R332-E381 IonicContact NE-OE1 2.8Å; R332-E381 PolarHBondContact NE-OE1 3.25Å; R332-E381 IonicContact NH2-OE1 3.93Å; R332-E381 PolarHBondContact NH2-OE1 2.53Å; Q333-E381 HydrophobicContact CG-CG 4.34Å; Q333-E381 PolarHBondContact NE2-OE2 3.48Å; F378-E381 PolarHBondContact O-N 3.06Å; F378-E381 VanDerWaalsContact O-O 3.12Å; E381-E383 VanDerWaalsContact C-N 3.25Å; E381-E383 PolarHBondContact O-N 3.35Å; E381-E383 VanDerWaalsContact O-N 3.07Å; E381-Y384 HydrophobicContact CB-CD2 3.85Å; E381-Y384 PolarHBondContact O-N 2.72Å; E381-K385 PolarHBondContact O-N 3.49Å |
| 382 | M | 86.1 | Confident | 92 | Very high | 79 Ų | 79 | 30.2 Ų | 30.2 | 39% | 0.389 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -55.8 | -32.3 | -169.4 | -75.5 | -65.3 | -77 | 0 | 0 | 115.2 | K385 K386 V424 | M382-K385 HydrophobicContact SD-CD 3.96Å; M382-K386 WeakPolarHBondContact O-CB 3.24Å; M382-K386 PolarHBondContact O-N 3.05Å; M382-K386 VanDerWaalsContact O-N 3.12Å; M382-V424 HydrophobicContact CE-CG1 4.17Å |
| 383 | E | 90.3 | Very high | 92.4 | Very high | 132 Ų | 132 | 27.6 Ų | 27.6 | 62% | 0.617 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -63.9 | -42.3 | 174.5 | -176.9 | 172.1 | -164.4 | 0 | 0 | 111.9 | E381 K386 L387 | E381-E383 VanDerWaalsContact C-N 3.25Å; E381-E383 PolarHBondContact O-N 3.35Å; E381-E383 VanDerWaalsContact O-N 3.07Å; E383-K386 WeakPolarHBondContact O-CB 3.43Å; E383-L387 WeakPolarHBondContact O-CG 3.49Å; E383-L387 PolarHBondContact O-N 3.14Å |
| 384 | Y | 93.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -80.9 | -32.2 | 179.2 | -63.7 | -81.1 | 0 | 0 | 0 | 112 | Q333 C336 Q337 L340 E381 K386 L387 F388 | Q333-Y384 HydrophobicContact CB-CE2 3.95Å; Q333-Y384 HydrophobicContact CG-CD2 4.27Å; Q333-Y384 HydrophobicContact CG-CE2 3.65Å; C336-Y384 HydrophobicContact CB-CD1 3.25Å; C336-Y384 HydrophobicContact CB-CD2 4.4Å; C336-Y384 HydrophobicContact CB-CE1 3.79Å; C336-Y384 HydrophobicContact CB-CG 3.59Å; Q337-Y384 HydrophobicContact CG-CE1 3.95Å; Q337-Y384 PolarHBondContact NE2-OH 3.1Å; L340-Y384 HydrophobicContact CD1-CD1 4.13Å; E381-Y384 HydrophobicContact CB-CD2 3.85Å; E381-Y384 PolarHBondContact O-N 2.72Å; Y384-K386 PolarHBondContact O-N 3.24Å; Y384-L387 HydrophobicContact CD1-CD1 4.09Å; Y384-L387 HydrophobicContact CE1-CD1 4.39Å; Y384-L387 PolarHBondContact O-N 3.09Å; Y384-F388 WeakPolarHBondContact O-CB 3.19Å; Y384-F388 PolarHBondContact O-N 3.24Å |
| 385 | K | 93.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -53.8 | -43.9 | 168 | -173.7 | -178.9 | -68.9 | -178.4 | 0 | 110.6 | F378 F379 E381 M382 A389 L427 | F378-K385 WeakPolarHBondContact O-CA 3.26Å; F378-K385 WeakPolarHBondContact O-CB 3.34Å; F378-K385 PolarHBondContact O-N 2.68Å; F379-K385 HydrophobicContact CD1-CB 4.4Å; F379-K385 HydrophobicContact CD1-CG 3.84Å; F379-K385 HydrophobicContact CE1-CG 4.24Å; F379-K385 WeakPolarHBondContact O-CE 3.38Å; F379-K385 PolarHBondContact O-NZ 3.14Å; E381-K385 PolarHBondContact O-N 3.49Å; M382-K385 HydrophobicContact SD-CD 3.96Å; K385-A389 WeakPolarHBondContact O-CB 3.13Å; K385-A389 PolarHBondContact O-N 2.98Å; K385-L427 HydrophobicContact CD-CD2 4.37Å; K385-L427 HydrophobicContact CG-CD2 4.12Å |
| 386 | K | 94.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 37% | 0.37 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 176 | -179 | -166.2 | 177.5 | -165.9 | 0 | 112.6 | M382 E383 Y384 A389 M390 L427 H430 | M382-K386 WeakPolarHBondContact O-CB 3.24Å; M382-K386 PolarHBondContact O-N 3.05Å; M382-K386 VanDerWaalsContact O-N 3.12Å; E383-K386 WeakPolarHBondContact O-CB 3.43Å; Y384-K386 PolarHBondContact O-N 3.24Å; K386-A389 PolarHBondContact O-N 3Å; K386-M390 WeakPolarHBondContact O-CG 3.38Å; K386-M390 PolarHBondContact O-N 3.02Å; K386-M390 VanDerWaalsContact O-N 3.11Å; K386-L427 HydrophobicContact CB-CD1 4.06Å; K386-L427 HydrophobicContact CG-CD1 3.94Å; K386-H430 WeakPolarHBondContact CE-CD2 3.42Å; K386-H430 VanDerWaalsContact CE-CE1 3.46Å; K386-H430 WeakPolarHBondContact CE-CE1 3.48Å; K386-H430 WeakPolarHBondContact CE-NE2 3.36Å |
| 387 | L | 95.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 35% | 0.346 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | 179.1 | -68.2 | 171 | 0 | 0 | 0 | 112 | L340 E383 Y384 A389 M390 E391 | L340-L387 HydrophobicContact CD1-CB 3.79Å; L340-L387 HydrophobicContact CD1-CD1 3.83Å; L340-L387 HydrophobicContact CD1-CG 4.43Å; E383-L387 WeakPolarHBondContact O-CG 3.49Å; E383-L387 PolarHBondContact O-N 3.14Å; Y384-L387 HydrophobicContact CD1-CD1 4.09Å; Y384-L387 HydrophobicContact CE1-CD1 4.39Å; Y384-L387 PolarHBondContact O-N 3.09Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A389 PolarHBondContact O-N 2.94Å; L387-M390 PolarHBondContact O-N 3.44Å; L387-E391 PolarHBondContact O-N 3.22Å |
| 388 | F | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.3 | 177.4 | -90.5 | 0 | 0 | 0 | 111.7 | I352 M356 I374 F378 F379 Y384 M390 E391 F392 I414 L417 M421 | I352-F388 HydrophobicContact CD1-CE2 4.19Å; I352-F388 HydrophobicContact CG1-CD2 3.93Å; I352-F388 HydrophobicContact CG1-CE2 3.77Å; M356-F388 HydrophobicContact CE-CE2 4.45Å; M356-F388 HydrophobicContact CG-CE2 4.41Å; M356-F388 HydrophobicContact SD-CD2 4.49Å; M356-F388 HydrophobicContact SD-CE2 3.59Å; M356-F388 VanDerWaalsContact SD-CE2 3.59Å; M356-F388 HydrophobicContact SD-CZ 3.61Å; I374-F388 HydrophobicContact CD1-CE2 3.87Å; I374-F388 HydrophobicContact CD1-CZ 3.89Å; I374-F388 HydrophobicContact CG1-CE2 4.07Å; I374-F388 HydrophobicContact CG1-CZ 4.4Å; I374-F388 HydrophobicContact CG2-CE1 4.27Å; I374-F388 HydrophobicContact CG2-CE2 4.14Å; I374-F388 HydrophobicContact CG2-CZ 3.99Å; F378-F388 HydrophobicContact CB-CB 4.16Å; F378-F388 HydrophobicContact CB-CG 4.4Å; F378-F388 HydrophobicContact CD1-CB 3.65Å; F378-F388 HydrophobicContact CD1-CD2 4.31Å; F378-F388 HydrophobicContact CD1-CG 4.34Å; F378-F388 HydrophobicContact CD2-CD2 4.3Å; F378-F388 HydrophobicContact CE1-CB 4.24Å; F378-F388 HydrophobicContact CG-CB 4.03Å; F378-F388 HydrophobicContact CG-CD2 4.16Å; F378-F388 HydrophobicContact CG-CG 4.32Å; F379-F388 AromaticContact CE1-CD1 3.64Å; F379-F388 HydrophobicContact CE1-CD1 3.64Å; F379-F388 AromaticContact CE1-CE1 3.9Å; F379-F388 HydrophobicContact CE1-CE1 3.9Å; F379-F388 HydrophobicContact CE1-CG 4.46Å; F379-F388 HydrophobicContact CZ-CD1 4.2Å; F379-F388 AromaticContact CZ-CE1 3.99Å; F379-F388 HydrophobicContact CZ-CE1 3.99Å; Y384-F388 WeakPolarHBondContact O-CB 3.19Å; Y384-F388 PolarHBondContact O-N 3.24Å; F388-M390 VanDerWaalsContact C-N 3.27Å; F388-M390 PolarHBondContact O-N 3.48Å; F388-E391 PolarHBondContact O-N 3.38Å; F388-F392 HydrophobicContact CE1-CB 4.37Å; F388-F392 WeakPolarHBondContact O-CB 3.47Å; F388-F392 PolarHBondContact O-N 3.06Å; F388-I414 HydrophobicContact CZ-CD1 4.32Å; F388-L417 HydrophobicContact CE1-CD1 4.47Å; F388-L417 HydrophobicContact CZ-CD1 4.23Å; F388-M421 HydrophobicContact CD1-CE 4.43Å; F388-M421 HydrophobicContact CD1-SD 3.53Å; F388-M421 VanDerWaalsContact CD1-SD 3.53Å; F388-M421 HydrophobicContact CE1-CE 3.96Å; F388-M421 HydrophobicContact CE1-SD 3.65Å |
| 389 | A | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -30.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K385 K386 L387 V393 M421 L427 L431 | K385-A389 WeakPolarHBondContact O-CB 3.13Å; K385-A389 PolarHBondContact O-N 2.98Å; K386-A389 PolarHBondContact O-N 3Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A389 PolarHBondContact O-N 2.94Å; A389-V393 WeakPolarHBondContact O-CG2 3.48Å; A389-V393 PolarHBondContact O-N 3.24Å; A389-M421 VanDerWaalsContact CA-SD 3.53Å; A389-M421 HydrophobicContact CB-CB 4.18Å; A389-M421 HydrophobicContact CB-CG 4.05Å; A389-M421 HydrophobicContact CB-SD 3.53Å; A389-M421 VanDerWaalsContact CB-SD 3.53Å; A389-L427 HydrophobicContact CB-CD1 4.07Å; A389-L427 HydrophobicContact CB-CD2 3.9Å; A389-L427 HydrophobicContact CB-CG 4.3Å; A389-L431 HydrophobicContact CB-CD1 4.13Å; A389-L431 HydrophobicContact CB-CD2 4.14Å |
| 390 | M | 96 | Very high | 94.2 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 26% | 0.261 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 172.7 | -69.6 | 170.1 | 56.6 | 0 | 0 | 111.6 | K386 L387 F388 F392 V393 K394 L431 Q435 | K386-M390 WeakPolarHBondContact O-CG 3.38Å; K386-M390 PolarHBondContact O-N 3.02Å; K386-M390 VanDerWaalsContact O-N 3.11Å; L387-M390 PolarHBondContact O-N 3.44Å; F388-M390 VanDerWaalsContact C-N 3.27Å; F388-M390 PolarHBondContact O-N 3.48Å; M390-F392 VanDerWaalsContact C-N 3.34Å; M390-F392 PolarHBondContact O-N 2.63Å; M390-V393 PolarHBondContact O-N 3.08Å; M390-K394 WeakPolarHBondContact O-CB 3.43Å; M390-K394 PolarHBondContact O-N 2.82Å; M390-L431 HydrophobicContact CG-CD2 4.31Å; M390-Q435 HydrophobicContact CG-CG 4.32Å |
| 391 | E | 95.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 174.3 | -75.8 | -63.8 | 108.8 | 0 | 0 | 112.3 | L340 S353 M356 L387 F388 K394 Y395 | L340-E391 HydrophobicContact CD2-CG 4.31Å; S353-E391 PolarHBondContact OG-OE2 3.05Å; M356-E391 HydrophobicContact CE-CB 3.99Å; L387-E391 PolarHBondContact O-N 3.22Å; F388-E391 PolarHBondContact O-N 3.38Å; E391-K394 WeakPolarHBondContact O-CB 3.38Å; E391-K394 PolarHBondContact O-N 2.99Å; E391-K394 WeakPolarHBondContact OE1-CD 3.49Å; E391-K394 WeakPolarHBondContact OE1-CE 3.4Å; E391-K394 IonicContact OE1-NZ 4Å; E391-K394 PolarHBondContact OE1-NZ 3.01Å; E391-K394 IonicContact OE2-NZ 2.78Å; E391-K394 PolarHBondContact OE2-NZ 3.23Å; E391-Y395 VanDerWaalsContact O-CD2 3.32Å; E391-Y395 WeakPolarHBondContact O-CD2 3.19Å; E391-Y395 PolarHBondContact O-N 3.05Å |
| 392 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.2 | -178.7 | -96.9 | 0 | 0 | 0 | 111.7 | M356 F388 M390 Y395 Y396 L399 I414 M421 F422 | M356-F392 HydrophobicContact SD-CB 4.41Å; M356-F392 HydrophobicContact SD-CD2 4.15Å; F388-F392 HydrophobicContact CE1-CB 4.37Å; F388-F392 WeakPolarHBondContact O-CB 3.47Å; F388-F392 PolarHBondContact O-N 3.06Å; M390-F392 VanDerWaalsContact C-N 3.34Å; M390-F392 PolarHBondContact O-N 2.63Å; F392-Y395 PolarHBondContact O-N 2.55Å; F392-Y396 HydrophobicContact CD1-CD2 4.26Å; F392-Y396 AromaticContact CE1-CD2 3.62Å; F392-Y396 HydrophobicContact CE1-CD2 3.62Å; F392-Y396 HydrophobicContact CE1-CE2 4.08Å; F392-Y396 HydrophobicContact CZ-CD2 4.14Å; F392-Y396 HydrophobicContact CZ-CE2 4.49Å; F392-Y396 WeakPolarHBondContact O-CA 3.48Å; F392-Y396 WeakPolarHBondContact O-CB 2.99Å; F392-Y396 PolarHBondContact O-N 2.74Å; F392-L399 HydrophobicContact CD2-CD1 3.91Å; F392-L399 HydrophobicContact CE2-CD1 3.98Å; F392-I414 HydrophobicContact CE2-CG1 4.4Å; F392-I414 WeakPolarHBondContact CE2-O 3.42Å; F392-M421 HydrophobicContact CB-CE 4.04Å; F392-M421 HydrophobicContact CB-SD 4.28Å; F392-M421 HydrophobicContact CD1-CE 3.38Å; F392-M421 HydrophobicContact CD1-SD 4.43Å; F392-M421 HydrophobicContact CD2-CE 3.9Å; F392-M421 HydrophobicContact CE1-CE 3.66Å; F392-M421 HydrophobicContact CE2-CE 4.16Å; F392-M421 HydrophobicContact CG-CE 3.51Å; F392-M421 HydrophobicContact CG-SD 4.38Å; F392-M421 HydrophobicContact CZ-CE 4.04Å; F392-F422 HydrophobicContact CD1-CE1 4.37Å; F392-F422 HydrophobicContact CD1-CZ 4.14Å; F392-F422 HydrophobicContact CE1-CE1 4.41Å; F392-F422 HydrophobicContact CE1-CE2 4.46Å; F392-F422 AromaticContact CE1-CZ 3.86Å; F392-F422 HydrophobicContact CE1-CZ 3.86Å |
| 393 | V | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 112 | A389 M390 Y395 Y396 F422 L431 Q435 V437 V440 | A389-V393 WeakPolarHBondContact O-CG2 3.48Å; A389-V393 PolarHBondContact O-N 3.24Å; M390-V393 PolarHBondContact O-N 3.08Å; V393-Y395 VanDerWaalsContact C-N 3.28Å; V393-Y395 PolarHBondContact O-N 3.17Å; V393-Y396 WeakPolarHBondContact O-CB 3.28Å; V393-Y396 PolarHBondContact O-N 3.25Å; V393-F422 HydrophobicContact CG2-CE1 3.79Å; V393-F422 HydrophobicContact CG2-CZ 4.06Å; V393-L431 HydrophobicContact CG2-CD1 4.3Å; V393-L431 HydrophobicContact CG2-CD2 4.1Å; V393-Q435 HydrophobicContact CB-CB 4.38Å; V393-Q435 HydrophobicContact CG1-CB 3.73Å; V393-Q435 HydrophobicContact CG1-CG 4.5Å; V393-V437 HydrophobicContact CB-CG2 4.45Å; V393-V437 HydrophobicContact CG1-CB 4.07Å; V393-V437 HydrophobicContact CG1-CG2 3.88Å; V393-V437 HydrophobicContact CG2-CB 4.31Å; V393-V437 HydrophobicContact CG2-CG2 3.61Å; V393-V440 HydrophobicContact CG1-CG1 4.44Å; V393-V440 HydrophobicContact CG1-CG2 4.26Å |
| 394 | K | 95.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 34.9 Ų | 34.9 | 40% | 0.404 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -55.1 | -39.4 | 174.7 | 175.1 | -171 | 179.3 | -170.6 | 0 | 112.7 | M390 E391 | M390-K394 WeakPolarHBondContact O-CB 3.43Å; M390-K394 PolarHBondContact O-N 2.82Å; E391-K394 WeakPolarHBondContact O-CB 3.38Å; E391-K394 PolarHBondContact O-N 2.99Å; E391-K394 WeakPolarHBondContact OE1-CD 3.49Å; E391-K394 WeakPolarHBondContact OE1-CE 3.4Å; E391-K394 IonicContact OE1-NZ 4Å; E391-K394 PolarHBondContact OE1-NZ 3.01Å; E391-K394 IonicContact OE2-NZ 2.78Å; E391-K394 PolarHBondContact OE2-NZ 3.23Å |
| 395 | Y | 96.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 39 Ų | 39 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -102.9 | -4.7 | 179.5 | -64.5 | -68.1 | 0 | 0 | 0 | 115 | L357 E391 F392 V393 K397 Q398 L399 | L357-Y395 HydrophobicContact CD1-CD1 3.9Å; L357-Y395 HydrophobicContact CD1-CE1 3.88Å; L357-Y395 HydrophobicContact CD1-CG 4.29Å; L357-Y395 HydrophobicContact CD2-CD1 3.76Å; L357-Y395 HydrophobicContact CD2-CG 3.96Å; L357-Y395 HydrophobicContact CG-CD1 4.2Å; L357-Y395 HydrophobicContact CG-CG 4.24Å; E391-Y395 VanDerWaalsContact O-CD2 3.32Å; E391-Y395 WeakPolarHBondContact O-CD2 3.19Å; E391-Y395 PolarHBondContact O-N 3.05Å; F392-Y395 PolarHBondContact O-N 2.55Å; V393-Y395 VanDerWaalsContact C-N 3.28Å; V393-Y395 PolarHBondContact O-N 3.17Å; Y395-K397 PolarHBondContact O-N 3.36Å; Y395-Q398 WeakPolarHBondContact O-CB 3.47Å; Y395-Q398 PolarHBondContact O-N 3.5Å; Y395-L399 PolarHBondContact O-N 3.5Å; Y395-L399 VanDerWaalsContact O-N 3.14Å |
| 396 | Y | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -43.4 | -47.1 | -173.1 | -179.5 | -91.7 | 0 | 0 | 0 | 114.2 | F392 V393 Q398 L399 Q400 F422 V440 I441 T444 V475 D478 | F392-Y396 HydrophobicContact CD1-CD2 4.26Å; F392-Y396 AromaticContact CE1-CD2 3.62Å; F392-Y396 HydrophobicContact CE1-CD2 3.62Å; F392-Y396 HydrophobicContact CE1-CE2 4.08Å; F392-Y396 HydrophobicContact CZ-CD2 4.14Å; F392-Y396 HydrophobicContact CZ-CE2 4.49Å; F392-Y396 WeakPolarHBondContact O-CA 3.48Å; F392-Y396 WeakPolarHBondContact O-CB 2.99Å; F392-Y396 PolarHBondContact O-N 2.74Å; V393-Y396 WeakPolarHBondContact O-CB 3.28Å; V393-Y396 PolarHBondContact O-N 3.25Å; Y396-Q398 VanDerWaalsContact C-N 3.29Å; Y396-Q398 PolarHBondContact O-N 2.88Å; Y396-L399 PolarHBondContact O-N 2.73Å; Y396-Q400 HydrophobicContact CD1-CG 4Å; Y396-Q400 HydrophobicContact CD2-CG 4.25Å; Y396-Q400 HydrophobicContact CE1-CG 3.63Å; Y396-Q400 HydrophobicContact CE2-CG 3.92Å; Y396-Q400 HydrophobicContact CG-CG 4.29Å; Y396-Q400 VanDerWaalsContact O-CG 3.28Å; Y396-Q400 WeakPolarHBondContact O-CG 3.49Å; Y396-Q400 PolarHBondContact O-N 2.86Å; Y396-Q400 PolarHBondContact OH-NE2 2.84Å; Y396-F422 HydrophobicContact CD2-CE2 4.41Å; Y396-F422 HydrophobicContact CD2-CZ 4.17Å; Y396-F422 AromaticContact CE2-CE2 3.86Å; Y396-F422 HydrophobicContact CE2-CE2 3.86Å; Y396-F422 HydrophobicContact CE2-CZ 4.08Å; Y396-V440 HydrophobicContact CD1-CG1 4.01Å; Y396-V440 HydrophobicContact CG-CG1 4.39Å; Y396-I441 HydrophobicContact CD1-CG1 4.43Å; Y396-I441 HydrophobicContact CE1-CB 4.22Å; Y396-I441 HydrophobicContact CE1-CG1 3.76Å; Y396-I441 HydrophobicContact CE1-CG2 4.39Å; Y396-I441 HydrophobicContact CE2-CG1 4.42Å; Y396-T444 HydrophobicContact CD1-CG2 4.47Å; Y396-T444 HydrophobicContact CE1-CG2 4.2Å; Y396-V475 HydrophobicContact CE1-CG1 4.25Å; Y396-D478 WeakPolarHBondContact CE2-OD2 3.38Å; Y396-D478 VanDerWaalsContact OH-CB 3.25Å; Y396-D478 WeakPolarHBondContact OH-CB 3.47Å; Y396-D478 PolarHBondContact OH-OD2 3.36Å; Y396-D478 VanDerWaalsContact OH-OD2 3.06Å |
| 397 | K | 96.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 37.5 Ų | 37.5 | 34% | 0.335 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.3 | -35.6 | -178.4 | -178.2 | 178.8 | -178.7 | 174.8 | 0 | 113.5 | Y395 K401 E447 | Y395-K397 PolarHBondContact O-N 3.36Å; K397-K401 WeakPolarHBondContact O-CG 3.45Å; K397-E447 WeakPolarHBondContact CE-OE1 3.33Å; K397-E447 WeakPolarHBondContact CE-OE2 3.41Å; K397-E447 VanDerWaalsContact NZ-CD 3.28Å; K397-E447 IonicContact NZ-OE1 3.49Å; K397-E447 PolarHBondContact NZ-OE1 3.46Å; K397-E447 IonicContact NZ-OE2 3.71Å; K397-E447 PolarHBondContact NZ-OE2 2.97Å |
| 398 | Q | 96.5 | Very high | 94.4 | Very high | 90 Ų | 90 | 34.8 Ų | 34.8 | 42% | 0.421 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -76.6 | -50.1 | 175.6 | 177.6 | 167.9 | -8 | 0 | 0 | 110.1 | L357 Y395 Y396 Q400 K401 E402 | L357-Q398 HydrophobicContact CD2-CB 4.35Å; L357-Q398 VanDerWaalsContact CD2-CD 3.49Å; L357-Q398 HydrophobicContact CD2-CG 3.99Å; Y395-Q398 WeakPolarHBondContact O-CB 3.47Å; Y395-Q398 PolarHBondContact O-N 3.5Å; Y396-Q398 VanDerWaalsContact C-N 3.29Å; Y396-Q398 PolarHBondContact O-N 2.88Å; Q398-Q400 VanDerWaalsContact C-N 3.28Å; Q398-Q400 PolarHBondContact O-N 3.04Å; Q398-K401 PolarHBondContact O-N 2.73Å; Q398-E402 HydrophobicContact CG-CG 4.35Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.43Å; Q398-E402 PolarHBondContact NE2-OE1 3.36Å; Q398-E402 WeakPolarHBondContact O-CG 3.31Å; Q398-E402 PolarHBondContact O-N 3.15Å |
| 399 | L | 96.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.8 | -42.1 | 179.9 | -59.3 | 176.9 | 0 | 0 | 0 | 112.6 | M356 L357 F392 Y395 Y396 Y403 I414 T415 | M356-L399 VanDerWaalsContact C-CD2 3.49Å; M356-L399 HydrophobicContact CB-CD1 4.43Å; M356-L399 HydrophobicContact CB-CD2 4.17Å; M356-L399 WeakPolarHBondContact O-CD2 3.42Å; L357-L399 HydrophobicContact CD2-CD2 4.22Å; F392-L399 HydrophobicContact CD2-CD1 3.91Å; F392-L399 HydrophobicContact CE2-CD1 3.98Å; Y395-L399 PolarHBondContact O-N 3.5Å; Y395-L399 VanDerWaalsContact O-N 3.14Å; Y396-L399 PolarHBondContact O-N 2.73Å; L399-Y403 VanDerWaalsContact O-CB 3.32Å; L399-Y403 WeakPolarHBondContact O-CB 3.46Å; L399-Y403 PolarHBondContact O-N 2.83Å; L399-I414 HydrophobicContact CD1-CG2 4.3Å; L399-I414 HydrophobicContact CD2-CG2 4.2Å; L399-T415 HydrophobicContact CB-CG2 4.24Å |
| 400 | Q | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.4 | -35.4 | 178.4 | -65.2 | -67.3 | -8.1 | 0 | 0 | 113 | Y396 Q398 Y403 I404 T444 V475 D478 | Y396-Q400 HydrophobicContact CD1-CG 4Å; Y396-Q400 HydrophobicContact CD2-CG 4.25Å; Y396-Q400 HydrophobicContact CE1-CG 3.63Å; Y396-Q400 HydrophobicContact CE2-CG 3.92Å; Y396-Q400 HydrophobicContact CG-CG 4.29Å; Y396-Q400 VanDerWaalsContact O-CG 3.28Å; Y396-Q400 WeakPolarHBondContact O-CG 3.49Å; Y396-Q400 PolarHBondContact O-N 2.86Å; Y396-Q400 PolarHBondContact OH-NE2 2.84Å; Q398-Q400 VanDerWaalsContact C-N 3.28Å; Q398-Q400 PolarHBondContact O-N 3.04Å; Q400-Y403 PolarHBondContact O-N 3.01Å; Q400-I404 WeakPolarHBondContact O-CB 3.39Å; Q400-I404 WeakPolarHBondContact O-CD1 3.45Å; Q400-I404 WeakPolarHBondContact O-CG1 3.34Å; Q400-I404 PolarHBondContact O-N 3.43Å; Q400-T444 HydrophobicContact CB-CG2 3.85Å; Q400-T444 HydrophobicContact CG-CG2 4.35Å; Q400-V475 HydrophobicContact CB-CG2 4.03Å; Q400-V475 HydrophobicContact CG-CG2 4.08Å; Q400-D478 PolarHBondContact NE2-OD2 3.14Å |
| 401 | K | 94.8 | Very high | 92.8 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.9 | -39.7 | 176.1 | -77.1 | -177.9 | 179.9 | -168.7 | 0 | 112.1 | K397 Q398 I404 S405 E447 V448 | K397-K401 WeakPolarHBondContact O-CG 3.45Å; Q398-K401 PolarHBondContact O-N 2.73Å; K401-I404 PolarHBondContact O-N 3.15Å; K401-S405 PolarHBondContact O-N 3.32Å; K401-S405 PolarHBondContact O-OG 3.08Å; K401-E447 WeakPolarHBondContact CE-OE2 3.25Å; K401-E447 IonicContact NZ-OE2 2.68Å; K401-E447 PolarHBondContact NZ-OE2 3.33Å; K401-V448 HydrophobicContact CG-CG1 4Å |
| 402 | E | 94.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.7 | -51.1 | 172.9 | -71.7 | 167 | 174.7 | 0 | 0 | 109.4 | A360 Q398 I404 S405 D406 | A360-E402 HydrophobicContact CB-CB 3.82Å; Q398-E402 HydrophobicContact CG-CG 4.35Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.43Å; Q398-E402 PolarHBondContact NE2-OE1 3.36Å; Q398-E402 WeakPolarHBondContact O-CG 3.31Å; Q398-E402 PolarHBondContact O-N 3.15Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 2.88Å; E402-S405 CarbonylContact O-C 3.53Å; E402-S405 WeakPolarHBondContact O-CA 3.31Å; E402-S405 PolarHBondContact O-N 3.47Å; E402-D406 WeakPolarHBondContact O-CB 3.25Å; E402-D406 PolarHBondContact O-N 2.93Å |
| 403 | Y | 94.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.2 | -35.3 | 175.7 | 171.9 | -110.1 | 0 | 0 | 0 | 114.7 | L399 Q400 S405 D406 R410 T415 R471 A474 | L399-Y403 VanDerWaalsContact O-CB 3.32Å; L399-Y403 WeakPolarHBondContact O-CB 3.46Å; L399-Y403 PolarHBondContact O-N 2.83Å; Q400-Y403 PolarHBondContact O-N 3.01Å; Y403-S405 PolarHBondContact O-N 3.46Å; Y403-D406 HydrophobicContact CD2-CB 4.46Å; Y403-D406 WeakPolarHBondContact O-CB 3.36Å; Y403-D406 PolarHBondContact O-N 2.86Å; Y403-R410 HydrophobicContact CE1-CG 4.14Å; Y403-R410 HydrophobicContact CE2-CB 4.12Å; Y403-R410 HydrophobicContact CE2-CG 4.17Å; Y403-R410 WeakPolarHBondContact OH-CB 3.24Å; Y403-T415 HydrophobicContact CD1-CG2 4.44Å; Y403-T415 HydrophobicContact CG-CG2 4.07Å; Y403-R471 HydrophobicContact CE1-CB 3.91Å; Y403-R471 HydrophobicContact CE1-CG 4.17Å; Y403-R471 WeakPolarHBondContact O-CD 3.43Å; Y403-R471 PolarHBondContact O-NH1 3.49Å; Y403-A474 HydrophobicContact CD1-CB 4.48Å; Y403-A474 HydrophobicContact CE1-CB 3.83Å |
| 404 | I | 92.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.5 | -20.9 | 174.6 | -72.7 | 161.1 | 0 | 0 | 0 | 112.2 | Q400 K401 E402 V448 R471 V472 V475 | Q400-I404 WeakPolarHBondContact O-CB 3.39Å; Q400-I404 WeakPolarHBondContact O-CD1 3.45Å; Q400-I404 WeakPolarHBondContact O-CG1 3.34Å; Q400-I404 PolarHBondContact O-N 3.43Å; K401-I404 PolarHBondContact O-N 3.15Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 2.88Å; I404-V448 HydrophobicContact CD1-CB 4.14Å; I404-V448 HydrophobicContact CD1-CG1 3.82Å; I404-V448 HydrophobicContact CD1-CG2 4.09Å; I404-R471 HydrophobicContact CB-CB 4.4Å; I404-R471 HydrophobicContact CG1-CB 3.95Å; I404-V472 HydrophobicContact CD1-CG2 3.94Å; I404-V472 HydrophobicContact CG1-CG2 4.32Å; I404-V472 HydrophobicContact CG2-CG2 4.39Å; I404-V475 HydrophobicContact CD1-CG2 4.17Å |
| 405 | S | 89.9 | Confident | 91.9 | Very high | 103 Ų | 103 | 36 Ų | 36 | 72% | 0.72 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -103.3 | -10.2 | 178.3 | -45.7 | 0 | 0 | 0 | 0 | 113.6 | K401 E402 Y403 | K401-S405 PolarHBondContact O-N 3.32Å; K401-S405 PolarHBondContact O-OG 3.08Å; E402-S405 CarbonylContact O-C 3.53Å; E402-S405 WeakPolarHBondContact O-CA 3.31Å; E402-S405 PolarHBondContact O-N 3.47Å; Y403-S405 PolarHBondContact O-N 3.46Å |
| 406 | D | 89.4 | Confident | 91.7 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -67.6 | 160.7 | 176.6 | -171.4 | 3.3 | 0 | 0 | 0 | 110.6 | A360 R367 E402 Y403 H408 R471 | A360-D406 HydrophobicContact CB-CB 4.35Å; R367-D406 IonicContact CZ-OD1 3.45Å; R367-D406 IonicContact CZ-OD2 2.76Å; R367-D406 IonicContact NH1-OD1 3.44Å; R367-D406 IonicContact NH1-OD2 3.46Å; R367-D406 PolarHBondContact NH1-OD2 3.37Å; R367-D406 IonicContact NH2-OD1 3.3Å; R367-D406 PolarHBondContact NH2-OD1 3.35Å; R367-D406 IonicContact NH2-OD2 3.76Å; R367-D406 PolarHBondContact NH2-OD2 3.4Å; E402-D406 WeakPolarHBondContact O-CB 3.25Å; E402-D406 PolarHBondContact O-N 2.93Å; Y403-D406 HydrophobicContact CD2-CB 4.46Å; Y403-D406 WeakPolarHBondContact O-CB 3.36Å; Y403-D406 PolarHBondContact O-N 2.86Å; D406-H408 IonicContact OD1-CG 3.01Å; D406-H408 PolarHBondContact OD1-N 3.31Å; D406-H408 IonicContact OD1-ND1 3.98Å; D406-R471 PolarHBondContact O-NE 2.98Å; D406-R471 PolarHBondContact O-NH1 2.91Å; D406-R471 PolarHBondContact O-NH2 3Å | ||
| 407 | D | 84 | Confident | 91.4 | Very high | 42 Ų | 42 | 34.4 Ų | 34.4 | 23% | 0.225 | 18% | 0.179 | C | C | . | . | trans | -100.6 | -27.8 | 172.2 | 60 | -12.9 | 0 | 0 | 0 | 112 | D233 H235 R471 | D233-D407 WeakPolarHBondContact CA-OD2 3.21Å; D233-D407 WeakPolarHBondContact CB-OD2 3.31Å; H235-D407 WeakPolarHBondContact CE1-CB 3.2Å; H235-D407 WeakPolarHBondContact ND1-CB 3.15Å; D407-R471 PolarHBondContact O-NH2 2.92Å | ||
| 408 | H | 86.8 | Confident | 91.4 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.046 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -69.7 | 158 | -176.4 | -72.9 | 65.7 | 0 | 0 | 0 | 113.6 | R367 D406 I412 R471 | R367-H408 PolarHBondContact NH2-ND1 2.75Å; D406-H408 IonicContact OD1-CG 3.01Å; D406-H408 PolarHBondContact OD1-N 3.31Å; D406-H408 IonicContact OD1-ND1 3.98Å; H408-I412 HydrophobicContact CB-CD1 4.13Å; H408-I412 HydrophobicContact CB-CG1 4.46Å; H408-R471 PolarHBondContact O-NH1 3.23Å; H408-R471 PolarHBondContact O-NH2 3.27Å |
| 409 | D | 83.9 | Confident | 91.1 | Very high | 98 Ų | 98 | 27.5 Ų | 27.5 | 52% | 0.524 | 15% | 0.149 | S | C | . | . | trans | -70.1 | 145.2 | -178.1 | -145.3 | 6.6 | 0 | 0 | 0 | 112.4 | S411 I412 | D409-S411 PolarHBondContact O-N 3.21Å; D409-S411 VanDerWaalsContact O-N 3.15Å; D409-I412 HydrophobicContact CB-CG1 4.34Å; D409-I412 WeakPolarHBondContact O-CG1 3.47Å; D409-I412 PolarHBondContact O-N 3.13Å | ||
| 410 | R | 87.6 | Confident | 90.8 | Very high | 44 Ų | 44 | 28.3 Ų | 28.3 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -58.8 | -36.5 | -175.3 | -159.8 | -171.4 | 169 | 178.4 | 1.4 | 112.4 | Y403 I412 S413 T415 A416 S418 A474 D478 | Y403-R410 HydrophobicContact CE1-CG 4.14Å; Y403-R410 HydrophobicContact CE2-CB 4.12Å; Y403-R410 HydrophobicContact CE2-CG 4.17Å; Y403-R410 WeakPolarHBondContact OH-CB 3.24Å; R410-I412 PolarHBondContact O-N 3.49Å; R410-S413 PolarHBondContact O-N 2.84Å; R410-T415 PolarHBondContact NH2-O 3.37Å; R410-A416 HydrophobicContact CG-CB 4.3Å; R410-A416 WeakPolarHBondContact O-CB 3.32Å; R410-S418 PolarHBondContact NH2-OG 3.45Å; R410-S418 VanDerWaalsContact NH2-OG 3.08Å; R410-A474 PolarHBondContact NH1-O 3.16Å; R410-D478 IonicContact CZ-OD1 3.82Å; R410-D478 IonicContact NH1-OD1 3.3Å; R410-D478 IonicContact NH2-OD1 2.67Å; R410-D478 PolarHBondContact NH2-OD1 3.21Å; R410-D478 IonicContact NH2-OD2 3.35Å; R410-D478 PolarHBondContact NH2-OD2 3.2Å |
| 411 | S | 84.9 | Confident | 90.7 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -57.6 | -22.3 | -174 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | H371 D409 | H371-S411 PolarHBondContact CE1-O 2.91Å; H371-S411 VanDerWaalsContact CE1-O 3.25Å; D409-S411 PolarHBondContact O-N 3.21Å; D409-S411 VanDerWaalsContact O-N 3.15Å |
| 412 | I | 86.1 | Confident | 90.7 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 17% | 0.169 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -112.9 | 1.9 | 178.9 | 56.9 | 174 | 0 | 0 | 0 | 113.1 | K364 R367 H371 H408 D409 R410 | K364-I412 HydrophobicContact CB-CD1 4.46Å; K364-I412 HydrophobicContact CD-CD1 4.15Å; K364-I412 HydrophobicContact CG-CD1 3.79Å; R367-I412 VanDerWaalsContact CB-O 3.31Å; R367-I412 WeakPolarHBondContact CB-O 3.32Å; R367-I412 WeakPolarHBondContact CD-O 3.35Å; H371-I412 VanDerWaalsContact CE1-C 3.46Å; H371-I412 PolarHBondContact NE2-O 3.15Å; H408-I412 HydrophobicContact CB-CD1 4.13Å; H408-I412 HydrophobicContact CB-CG1 4.46Å; D409-I412 HydrophobicContact CB-CG1 4.34Å; D409-I412 WeakPolarHBondContact O-CG1 3.47Å; D409-I412 PolarHBondContact O-N 3.13Å; R410-I412 PolarHBondContact O-N 3.49Å |
| 413 | S | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -88.9 | 145.7 | 170.7 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | D359 H371 R410 T415 A416 | D359-S413 WeakPolarHBondContact OD2-CA 3.46Å; D359-S413 WeakPolarHBondContact OD2-CB 3.47Å; D359-S413 PolarHBondContact OD2-OG 3.48Å; H371-S413 PolarHBondContact CE1-O 3.07Å; H371-S413 WeakPolarHBondContact NE2-CA 3.46Å; H371-S413 PolarHBondContact NE2-N 3.33Å; H371-S413 PolarHBondContact NE2-O 3.21Å; R410-S413 PolarHBondContact O-N 2.84Å; S413-T415 PolarHBondContact O-N 3.16Å; S413-T415 PolarHBondContact OG-N 2.99Å; S413-T415 PolarHBondContact OG-OG1 3.35Å; S413-A416 WeakPolarHBondContact O-CB 3.4Å; S413-A416 PolarHBondContact O-N 3.09Å |
| 414 | I | 94 | Very high | 90.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -50.4 | -28.6 | 170.5 | -160.5 | 76.7 | 0 | 0 | 0 | 112.5 | M356 D359 L370 H371 I374 F388 F392 L399 A416 L417 | M356-I414 HydrophobicContact CB-CG1 4.29Å; M356-I414 HydrophobicContact CG-CD1 3.92Å; M356-I414 HydrophobicContact CG-CG1 3.85Å; M356-I414 HydrophobicContact SD-CD1 4.46Å; M356-I414 HydrophobicContact SD-CG1 4.2Å; D359-I414 HydrophobicContact CB-CB 3.96Å; D359-I414 HydrophobicContact CB-CG2 3.65Å; D359-I414 PolarHBondContact OD1-N 2.69Å; D359-I414 PolarHBondContact OD2-N 2.93Å; L370-I414 HydrophobicContact CD2-CD1 4.21Å; L370-I414 HydrophobicContact CG-CD1 4.4Å; H371-I414 WeakPolarHBondContact NE2-CA 3.32Å; H371-I414 PolarHBondContact NE2-N 2.79Å; I374-I414 HydrophobicContact CD1-CD1 3.43Å; I374-I414 VanDerWaalsContact CD1-CD1 3.43Å; F388-I414 HydrophobicContact CZ-CD1 4.32Å; F392-I414 HydrophobicContact CE2-CG1 4.4Å; F392-I414 WeakPolarHBondContact CE2-O 3.42Å; L399-I414 HydrophobicContact CD1-CG2 4.3Å; L399-I414 HydrophobicContact CD2-CG2 4.2Å; I414-A416 PolarHBondContact O-N 2.98Å; I414-L417 HydrophobicContact CD1-CD1 3.67Å; I414-L417 HydrophobicContact CG1-CD1 4.4Å; I414-L417 WeakPolarHBondContact O-CB 3.3Å; I414-L417 WeakPolarHBondContact O-CG 3.32Å; I414-L417 PolarHBondContact O-N 3.47Å |
| 415 | T | 94.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -66.9 | -17.4 | 178.2 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | L399 Y403 R410 S413 L417 S418 | L399-T415 HydrophobicContact CB-CG2 4.24Å; Y403-T415 HydrophobicContact CD1-CG2 4.44Å; Y403-T415 HydrophobicContact CG-CG2 4.07Å; R410-T415 PolarHBondContact NH2-O 3.37Å; S413-T415 PolarHBondContact O-N 3.16Å; S413-T415 PolarHBondContact OG-N 2.99Å; S413-T415 PolarHBondContact OG-OG1 3.35Å; T415-L417 VanDerWaalsContact C-N 3.3Å; T415-S418 PolarHBondContact O-OG 2.89Å |
| 416 | A | 92.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -71.9 | -22.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R410 S413 I414 S418 V419 | R410-A416 HydrophobicContact CG-CB 4.3Å; R410-A416 WeakPolarHBondContact O-CB 3.32Å; S413-A416 WeakPolarHBondContact O-CB 3.4Å; S413-A416 PolarHBondContact O-N 3.09Å; I414-A416 PolarHBondContact O-N 2.98Å; A416-S418 PolarHBondContact O-N 2.81Å; A416-S418 VanDerWaalsContact O-N 3.16Å; A416-V419 WeakPolarHBondContact O-CG1 3.34Å; A416-V419 PolarHBondContact O-N 3.42Å |
| 417 | L | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -69.3 | -12.2 | -177.7 | -56.3 | -170.8 | 0 | 0 | 0 | 113.3 | I374 F375 F379 F388 I414 T415 V419 Q420 M421 | I374-L417 HydrophobicContact CB-CD1 4.4Å; I374-L417 HydrophobicContact CD1-CD1 3.82Å; I374-L417 HydrophobicContact CG2-CD1 3.94Å; F375-L417 HydrophobicContact CE1-CD2 4.21Å; F375-L417 HydrophobicContact CE2-CD2 3.8Å; F375-L417 HydrophobicContact CZ-CD2 3.41Å; F375-L417 VanDerWaalsContact CZ-CD2 3.41Å; F379-L417 HydrophobicContact CE2-CB 4.34Å; F379-L417 HydrophobicContact CE2-CD1 4.42Å; F379-L417 HydrophobicContact CE2-CD2 4.34Å; F379-L417 HydrophobicContact CZ-CB 4.17Å; F379-L417 HydrophobicContact CZ-CD1 4.34Å; F388-L417 HydrophobicContact CE1-CD1 4.47Å; F388-L417 HydrophobicContact CZ-CD1 4.23Å; I414-L417 HydrophobicContact CD1-CD1 3.67Å; I414-L417 HydrophobicContact CG1-CD1 4.4Å; I414-L417 WeakPolarHBondContact O-CB 3.3Å; I414-L417 WeakPolarHBondContact O-CG 3.32Å; I414-L417 PolarHBondContact O-N 3.47Å; T415-L417 VanDerWaalsContact C-N 3.3Å; L417-V419 PolarHBondContact O-N 3.01Å; L417-Q420 WeakPolarHBondContact O-CB 3.27Å; L417-Q420 PolarHBondContact O-N 3.26Å; L417-M421 HydrophobicContact CB-CE 4.22Å; L417-M421 WeakPolarHBondContact O-CE 3.22Å |
| 418 | S | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -50.6 | -38.7 | 174.4 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | R410 T415 A416 Q420 M421 F422 D478 | R410-S418 PolarHBondContact NH2-OG 3.45Å; R410-S418 VanDerWaalsContact NH2-OG 3.08Å; T415-S418 PolarHBondContact O-OG 2.89Å; A416-S418 PolarHBondContact O-N 2.81Å; A416-S418 VanDerWaalsContact O-N 3.16Å; S418-Q420 PolarHBondContact O-N 3.45Å; S418-M421 PolarHBondContact O-N 3.43Å; S418-M421 VanDerWaalsContact O-N 3.1Å; S418-F422 WeakPolarHBondContact O-CB 3.49Å; S418-F422 PolarHBondContact O-N 3.07Å; S418-D478 WeakPolarHBondContact CB-OD1 3.48Å; S418-D478 VanDerWaalsContact CB-OD2 3.31Å; S418-D478 WeakPolarHBondContact CB-OD2 3.39Å; S418-D478 PolarHBondContact OG-OD1 3.42Å; S418-D478 PolarHBondContact OG-OD2 3.03Å |
| 419 | V | 91.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 21.9 Ų | 21.9 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -64.1 | -21.6 | 178.7 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | T120 A416 L417 T423 Y481 | T120-V419 HydrophobicContact CG2-CG2 3.73Å; A416-V419 WeakPolarHBondContact O-CG1 3.34Å; A416-V419 PolarHBondContact O-N 3.42Å; L417-V419 PolarHBondContact O-N 3.01Å; V419-T423 HydrophobicContact CG2-CG2 3.91Å; V419-T423 WeakPolarHBondContact O-CB 3.46Å; V419-T423 WeakPolarHBondContact O-CG2 3.19Å; V419-T423 PolarHBondContact O-OG1 2.99Å; V419-Y481 HydrophobicContact CB-CD2 4.1Å; V419-Y481 HydrophobicContact CB-CE2 3.69Å; V419-Y481 HydrophobicContact CG2-CD1 4.15Å; V419-Y481 HydrophobicContact CG2-CD2 4.2Å; V419-Y481 HydrophobicContact CG2-CE1 3.71Å; V419-Y481 HydrophobicContact CG2-CE2 3.78Å; V419-Y481 HydrophobicContact CG2-CG 4.4Å |
| 420 | Q | 89.6 | Confident | 91.7 | Very high | 22 Ų | 22 | 19.5 Ų | 19.5 | 10% | 0.103 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -89.4 | -4.4 | 179.8 | -54.5 | -61.2 | -23.4 | 0 | 0 | 112.9 | F148 F375 F379 L417 S418 V424 | F148-Q420 HydrophobicContact CE1-CB 4.43Å; F148-Q420 HydrophobicContact CE1-CG 4.21Å; F375-Q420 HydrophobicContact CE1-CG 4.11Å; F379-Q420 HydrophobicContact CD2-CB 3.97Å; F379-Q420 HydrophobicContact CD2-CG 4.38Å; F379-Q420 HydrophobicContact CE2-CB 3.4Å; F379-Q420 HydrophobicContact CE2-CG 3.85Å; F379-Q420 HydrophobicContact CZ-CB 3.92Å; L417-Q420 WeakPolarHBondContact O-CB 3.27Å; L417-Q420 PolarHBondContact O-N 3.26Å; S418-Q420 PolarHBondContact O-N 3.45Å; Q420-V424 WeakPolarHBondContact O-CG2 3.42Å |
| 421 | M | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -41.6 | -174.9 | -62.6 | -179.6 | -74.8 | 0 | 0 | 112.7 | F379 F388 A389 F392 L417 S418 L427 | F379-M421 HydrophobicContact CE1-CG 4.08Å; F379-M421 HydrophobicContact CE1-SD 4.22Å; F379-M421 HydrophobicContact CZ-CG 4.01Å; F379-M421 HydrophobicContact CZ-SD 4.23Å; F388-M421 HydrophobicContact CD1-CE 4.43Å; F388-M421 HydrophobicContact CD1-SD 3.53Å; F388-M421 VanDerWaalsContact CD1-SD 3.53Å; F388-M421 HydrophobicContact CE1-CE 3.96Å; F388-M421 HydrophobicContact CE1-SD 3.65Å; A389-M421 VanDerWaalsContact CA-SD 3.53Å; A389-M421 HydrophobicContact CB-CB 4.18Å; A389-M421 HydrophobicContact CB-CG 4.05Å; A389-M421 HydrophobicContact CB-SD 3.53Å; A389-M421 VanDerWaalsContact CB-SD 3.53Å; F392-M421 HydrophobicContact CB-CE 4.04Å; F392-M421 HydrophobicContact CB-SD 4.28Å; F392-M421 HydrophobicContact CD1-CE 3.38Å; F392-M421 HydrophobicContact CD1-SD 4.43Å; F392-M421 HydrophobicContact CD2-CE 3.9Å; F392-M421 HydrophobicContact CE1-CE 3.66Å; F392-M421 HydrophobicContact CE2-CE 4.16Å; F392-M421 HydrophobicContact CG-CE 3.51Å; F392-M421 HydrophobicContact CG-SD 4.38Å; F392-M421 HydrophobicContact CZ-CE 4.04Å; L417-M421 HydrophobicContact CB-CE 4.22Å; L417-M421 WeakPolarHBondContact O-CE 3.22Å; S418-M421 PolarHBondContact O-N 3.43Å; S418-M421 VanDerWaalsContact O-N 3.1Å; M421-L427 HydrophobicContact CB-CD2 4.16Å; M421-L427 HydrophobicContact CG-CD2 4.5Å |
| 422 | F | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -84.5 | -18.3 | -174.7 | -63.4 | -8 | 0 | 0 | 0 | 113.2 | F392 V393 Y396 S418 A428 L431 V437 I441 D478 Y481 I482 | F392-F422 HydrophobicContact CD1-CE1 4.37Å; F392-F422 HydrophobicContact CD1-CZ 4.14Å; F392-F422 HydrophobicContact CE1-CE1 4.41Å; F392-F422 HydrophobicContact CE1-CE2 4.46Å; F392-F422 AromaticContact CE1-CZ 3.86Å; F392-F422 HydrophobicContact CE1-CZ 3.86Å; V393-F422 HydrophobicContact CG2-CE1 3.79Å; V393-F422 HydrophobicContact CG2-CZ 4.06Å; Y396-F422 HydrophobicContact CD2-CE2 4.41Å; Y396-F422 HydrophobicContact CD2-CZ 4.17Å; Y396-F422 AromaticContact CE2-CE2 3.86Å; Y396-F422 HydrophobicContact CE2-CE2 3.86Å; Y396-F422 HydrophobicContact CE2-CZ 4.08Å; S418-F422 WeakPolarHBondContact O-CB 3.49Å; S418-F422 PolarHBondContact O-N 3.07Å; F422-A428 WeakPolarHBondContact O-CB 3.27Å; F422-L431 HydrophobicContact CD1-CD1 3.84Å; F422-L431 HydrophobicContact CE1-CD1 3.9Å; F422-V437 HydrophobicContact CE1-CG2 4.04Å; F422-V437 HydrophobicContact CZ-CG2 3.91Å; F422-I441 HydrophobicContact CD2-CD1 4.22Å; F422-I441 HydrophobicContact CE2-CD1 3.82Å; F422-I441 HydrophobicContact CE2-CG1 4.46Å; F422-I441 HydrophobicContact CZ-CD1 4.46Å; F422-D478 HydrophobicContact CD2-CB 4.08Å; F422-D478 HydrophobicContact CE2-CB 4.05Å; F422-Y481 CarbonylContact O-C 3.44Å; F422-Y481 VanDerWaalsContact O-O 3.09Å; F422-I482 HydrophobicContact CB-CB 4.21Å; F422-I482 HydrophobicContact CB-CD1 3.87Å; F422-I482 HydrophobicContact CD1-CD1 3.95Å; F422-I482 HydrophobicContact CG-CD1 3.94Å; F422-I482 WeakPolarHBondContact O-CA 3.27Å |
| 423 | T | 92.1 | Very high | 93 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 8% | 0.08 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -79.3 | -38.5 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | T120 V419 P425 Y481 I484 S485 | T120-T423 HydrophobicContact CG2-CG2 4.26Å; T120-T423 WeakPolarHBondContact OG1-CG2 3.33Å; V419-T423 HydrophobicContact CG2-CG2 3.91Å; V419-T423 WeakPolarHBondContact O-CB 3.46Å; V419-T423 WeakPolarHBondContact O-CG2 3.19Å; V419-T423 PolarHBondContact O-OG1 2.99Å; T423-P425 VanDerWaalsContact O-CD 3.23Å; T423-P425 WeakPolarHBondContact O-CD 3.33Å; T423-P425 VanDerWaalsContact O-N 3.12Å; T423-Y481 HydrophobicContact CG2-CD1 3.95Å; T423-Y481 HydrophobicContact CG2-CG 4.12Å; T423-I484 HydrophobicContact CG2-CD1 4.25Å; T423-S485 PolarHBondContact O-OG 3.2Å |
| 424 | V | 91.1 | Very high | 93 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 7% | 0.073 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -55.6 | 109.8 | -176.6 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | M382 Q420 T426 L427 A428 | M382-V424 HydrophobicContact CE-CG1 4.17Å; Q420-V424 WeakPolarHBondContact O-CG2 3.42Å; V424-T426 PolarHBondContact O-N 3.01Å; V424-L427 HydrophobicContact CB-CB 4.01Å; V424-L427 HydrophobicContact CG1-CB 3.84Å; V424-L427 PolarHBondContact O-N 3.49Å; V424-A428 WeakPolarHBondContact O-CB 3.4Å; V424-A428 PolarHBondContact O-N 3.24Å |
| 425 | P | 90.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 23.1 Ų | 23.1 | 14% | 0.136 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -53.2 | -45.8 | -168.5 | -26.7 | 27.9 | 0 | 0 | 0 | 116.2 | I117 E155 T423 R429 S485 | I117-P425 HydrophobicContact CG2-CG 4.46Å; E155-P425 HydrophobicContact CB-CG 4.23Å; E155-P425 WeakPolarHBondContact OE2-CD 3.28Å; T423-P425 VanDerWaalsContact O-CD 3.23Å; T423-P425 WeakPolarHBondContact O-CD 3.33Å; T423-P425 VanDerWaalsContact O-N 3.12Å; P425-R429 VanDerWaalsContact C-NH2 3.32Å; P425-R429 PolarHBondContact O-N 3.5Å; P425-R429 PolarHBondContact O-NE 3.5Å; P425-R429 PolarHBondContact O-NH2 2.84Å; P425-S485 WeakPolarHBondContact CG-OG 3.37Å |
| 426 | T | 91 | Very high | 93.1 | Very high | 61 Ų | 61 | 24.4 Ų | 24.4 | 37% | 0.374 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -71.2 | -41.6 | -180 | 58.3 | 0 | 0 | 0 | 0 | 112 | E155 V424 H430 | E155-T426 VanDerWaalsContact CD-OG1 3.25Å; E155-T426 WeakPolarHBondContact OE1-CB 3.46Å; E155-T426 WeakPolarHBondContact OE1-CG2 3.25Å; E155-T426 PolarHBondContact OE1-OG1 2.91Å; E155-T426 WeakPolarHBondContact OE2-CB 3.35Å; E155-T426 VanDerWaalsContact OE2-CG2 3.26Å; E155-T426 WeakPolarHBondContact OE2-CG2 3.39Å; E155-T426 PolarHBondContact OE2-N 3.48Å; E155-T426 PolarHBondContact OE2-OG1 3.31Å; E155-T426 VanDerWaalsContact OE2-OG1 3.1Å; V424-T426 PolarHBondContact O-N 3.01Å; T426-H430 PolarHBondContact O-N 2.93Å; T426-H430 VanDerWaalsContact O-N 3.08Å |
| 427 | L | 93.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 5% | 0.047 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.3 | -44.8 | -178.3 | -177.4 | 54.8 | 0 | 0 | 0 | 111.4 | K385 K386 A389 M421 V424 R429 H430 L431 | K385-L427 HydrophobicContact CD-CD2 4.37Å; K385-L427 HydrophobicContact CG-CD2 4.12Å; K386-L427 HydrophobicContact CB-CD1 4.06Å; K386-L427 HydrophobicContact CG-CD1 3.94Å; A389-L427 HydrophobicContact CB-CD1 4.07Å; A389-L427 HydrophobicContact CB-CD2 3.9Å; A389-L427 HydrophobicContact CB-CG 4.3Å; M421-L427 HydrophobicContact CB-CD2 4.16Å; M421-L427 HydrophobicContact CG-CD2 4.5Å; V424-L427 HydrophobicContact CB-CB 4.01Å; V424-L427 HydrophobicContact CG1-CB 3.84Å; V424-L427 PolarHBondContact O-N 3.49Å; L427-R429 VanDerWaalsContact C-N 3.34Å; L427-R429 PolarHBondContact O-N 3.29Å; L427-H430 CarbonylContact O-C 3.6Å; L427-H430 WeakPolarHBondContact O-CA 3.47Å; L427-H430 WeakPolarHBondContact O-CB 3.33Å; L427-H430 PolarHBondContact O-N 3.3Å; L427-L431 HydrophobicContact CD1-CD1 4.28Å; L427-L431 HydrophobicContact CD1-CD2 4.41Å; L427-L431 HydrophobicContact CD1-CG 4.09Å; L427-L431 HydrophobicContact CG-CD1 4.06Å; L427-L431 HydrophobicContact CG-CG 4.34Å; L427-L431 WeakPolarHBondContact O-CG 3.46Å; L427-L431 PolarHBondContact O-N 3.25Å |
| 428 | A | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -53.9 | -49.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F422 V424 H430 L431 I432 I482 | F422-A428 WeakPolarHBondContact O-CB 3.27Å; V424-A428 WeakPolarHBondContact O-CB 3.4Å; V424-A428 PolarHBondContact O-N 3.24Å; A428-H430 VanDerWaalsContact C-N 3.34Å; A428-H430 PolarHBondContact O-N 3.32Å; A428-L431 PolarHBondContact O-N 3.23Å; A428-I432 VanDerWaalsContact O-CG1 3.29Å; A428-I432 WeakPolarHBondContact O-CG1 3.19Å; A428-I432 PolarHBondContact O-N 3.49Å; A428-I482 HydrophobicContact CB-CD1 3.76Å |
| 429 | R | 91.9 | Very high | 93.7 | Very high | 82 Ų | 82 | 23.9 Ų | 23.9 | 31% | 0.309 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.2 | -77.3 | 175.1 | -76.2 | 145.8 | -5.9 | 112.3 | P425 L427 I432 E433 | P425-R429 VanDerWaalsContact C-NH2 3.32Å; P425-R429 PolarHBondContact O-N 3.5Å; P425-R429 PolarHBondContact O-NE 3.5Å; P425-R429 PolarHBondContact O-NH2 2.84Å; L427-R429 VanDerWaalsContact C-N 3.34Å; L427-R429 PolarHBondContact O-N 3.29Å; R429-I432 PolarHBondContact O-N 2.85Å; R429-E433 WeakPolarHBondContact O-CB 3.34Å; R429-E433 PolarHBondContact O-N 2.91Å |
| 430 | H | 93.3 | Very high | 94 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 22% | 0.218 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 177.1 | -174 | 70.1 | 0 | 0 | 0 | 112.8 | K386 T426 L427 A428 E433 E434 | K386-H430 WeakPolarHBondContact CE-CD2 3.42Å; K386-H430 VanDerWaalsContact CE-CE1 3.46Å; K386-H430 WeakPolarHBondContact CE-CE1 3.48Å; K386-H430 WeakPolarHBondContact CE-NE2 3.36Å; T426-H430 PolarHBondContact O-N 2.93Å; T426-H430 VanDerWaalsContact O-N 3.08Å; L427-H430 CarbonylContact O-C 3.6Å; L427-H430 WeakPolarHBondContact O-CA 3.47Å; L427-H430 WeakPolarHBondContact O-CB 3.33Å; L427-H430 PolarHBondContact O-N 3.3Å; A428-H430 VanDerWaalsContact C-N 3.34Å; A428-H430 PolarHBondContact O-N 3.32Å; H430-E433 PolarHBondContact O-N 2.98Å; H430-E434 WeakPolarHBondContact CE1-CG 3.48Å; H430-E434 WeakPolarHBondContact O-CB 3.23Å; H430-E434 PolarHBondContact O-N 2.6Å |
| 431 | L | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.8 | -31.9 | 177.8 | -65.2 | 171.8 | 0 | 0 | 0 | 112.4 | A389 M390 V393 F422 L427 A428 Q435 N436 V437 | A389-L431 HydrophobicContact CB-CD1 4.13Å; A389-L431 HydrophobicContact CB-CD2 4.14Å; M390-L431 HydrophobicContact CG-CD2 4.31Å; V393-L431 HydrophobicContact CG2-CD1 4.3Å; V393-L431 HydrophobicContact CG2-CD2 4.1Å; F422-L431 HydrophobicContact CD1-CD1 3.84Å; F422-L431 HydrophobicContact CE1-CD1 3.9Å; L427-L431 HydrophobicContact CD1-CD1 4.28Å; L427-L431 HydrophobicContact CD1-CD2 4.41Å; L427-L431 HydrophobicContact CD1-CG 4.09Å; L427-L431 HydrophobicContact CG-CD1 4.06Å; L427-L431 HydrophobicContact CG-CG 4.34Å; L427-L431 WeakPolarHBondContact O-CG 3.46Å; L427-L431 PolarHBondContact O-N 3.25Å; A428-L431 PolarHBondContact O-N 3.23Å; L431-Q435 HydrophobicContact CD2-CG 4.2Å; L431-Q435 CarbonylContact O-C 3.34Å; L431-Q435 WeakPolarHBondContact O-CA 3.19Å; L431-Q435 WeakPolarHBondContact O-CB 3.46Å; L431-Q435 PolarHBondContact O-N 2.87Å; L431-N436 PolarHBondContact O-N 3.45Å; L431-N436 VanDerWaalsContact O-N 3.16Å; L431-V437 HydrophobicContact CB-CB 4.13Å; L431-V437 HydrophobicContact CB-CG1 3.77Å; L431-V437 PolarHBondContact O-N 2.84Å |
| 432 | I | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.3 | -47.9 | 172.1 | -59.8 | 162.1 | 0 | 0 | 0 | 110 | A428 R429 N436 V437 I438 I482 L494 Q497 W552 | A428-I432 VanDerWaalsContact O-CG1 3.29Å; A428-I432 WeakPolarHBondContact O-CG1 3.19Å; A428-I432 PolarHBondContact O-N 3.49Å; R429-I432 PolarHBondContact O-N 2.85Å; I432-N436 WeakPolarHBondContact O-CA 3.41Å; I432-N436 PolarHBondContact O-N 3.01Å; I432-V437 HydrophobicContact CG1-CG1 3.79Å; I432-I438 HydrophobicContact CD1-CD1 3.91Å; I432-I438 HydrophobicContact CD1-CG1 4.44Å; I432-I438 HydrophobicContact CG1-CD1 3.94Å; I432-I438 HydrophobicContact CG1-CG1 4.06Å; I432-I438 HydrophobicContact CG2-CD1 4.02Å; I432-I482 HydrophobicContact CD1-CG1 4.1Å; I432-I482 HydrophobicContact CG1-CD1 4.49Å; I432-I482 HydrophobicContact CG1-CG1 3.99Å; I432-L494 HydrophobicContact CB-CD1 3.91Å; I432-L494 HydrophobicContact CG2-CD1 3.62Å; I432-Q497 HydrophobicContact CG2-CB 4.27Å; I432-Q497 VanDerWaalsContact O-CB 3.28Å; I432-Q497 WeakPolarHBondContact O-CB 3.22Å; I432-Q497 WeakPolarHBondContact O-CG 3.46Å; I432-W552 HydrophobicContact CD1-CH2 3.43Å; I432-W552 VanDerWaalsContact CD1-CH2 3.43Å; I432-W552 HydrophobicContact CD1-CZ2 4.47Å; I432-W552 HydrophobicContact CD1-CZ3 3.85Å |
| 433 | E | 93.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.2 | -43.4 | -175.6 | -172.6 | 164.6 | -150 | 0 | 0 | 112.9 | R429 H430 T491 R493 L494 | R429-E433 WeakPolarHBondContact O-CB 3.34Å; R429-E433 PolarHBondContact O-N 2.91Å; H430-E433 PolarHBondContact O-N 2.98Å; E433-T491 WeakPolarHBondContact OE1-CB 3.27Å; E433-T491 PolarHBondContact OE1-OG1 3.13Å; E433-R493 HydrophobicContact CG-CB 4.04Å; E433-R493 HydrophobicContact CG-CG 3.82Å; E433-R493 PolarHBondContact O-NE 2.87Å; E433-R493 PolarHBondContact O-NH2 2.96Å; E433-L494 HydrophobicContact CB-CD1 4.37Å |
| 434 | E | 93.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 26.5 Ų | 26.5 | 35% | 0.346 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -93 | -35.2 | -176.2 | -64.8 | -54.4 | 137.5 | 0 | 0 | 115 | H430 R493 | H430-E434 WeakPolarHBondContact CE1-CG 3.48Å; H430-E434 WeakPolarHBondContact O-CB 3.23Å; H430-E434 PolarHBondContact O-N 2.6Å; E434-R493 VanDerWaalsContact CD-CZ 3.4Å; E434-R493 IonicContact OE1-CZ 3.93Å; E434-R493 IonicContact OE1-NE 3.66Å; E434-R493 IonicContact OE1-NH1 3.69Å; E434-R493 PolarHBondContact OE1-NH1 3.08Å; E434-R493 IonicContact OE1-NH2 2.77Å; E434-R493 IonicContact OE2-CZ 2.73Å; E434-R493 IonicContact OE2-NH1 2.65Å; E434-R493 PolarHBondContact OE2-NH1 3.45Å; E434-R493 IonicContact OE2-NH2 3.43Å; E434-R493 PolarHBondContact OE2-NH2 3.12Å |
| 435 | Q | 95.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 26 Ų | 26 | 29% | 0.285 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -114.4 | 3.6 | -171.3 | -59.1 | -63.3 | -41.9 | 0 | 0 | 114 | M390 V393 L431 V437 | M390-Q435 HydrophobicContact CG-CG 4.32Å; V393-Q435 HydrophobicContact CB-CB 4.38Å; V393-Q435 HydrophobicContact CG1-CB 3.73Å; V393-Q435 HydrophobicContact CG1-CG 4.5Å; L431-Q435 HydrophobicContact CD2-CG 4.2Å; L431-Q435 CarbonylContact O-C 3.34Å; L431-Q435 WeakPolarHBondContact O-CA 3.19Å; L431-Q435 WeakPolarHBondContact O-CB 3.46Å; L431-Q435 PolarHBondContact O-N 2.87Å; Q435-V437 PolarHBondContact O-N 3.38Å; Q435-V437 VanDerWaalsContact O-N 3.13Å |
| 436 | N | 95.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 27.1 Ų | 27.1 | 15% | 0.15 | 13% | 0.133 | C | C | . | . | trans | 50.7 | 36.1 | -178.6 | -159.7 | 0.4 | 0 | 0 | 0 | 113.6 | L431 I432 I438 S439 V440 Q497 E500 | L431-N436 PolarHBondContact O-N 3.45Å; L431-N436 VanDerWaalsContact O-N 3.16Å; I432-N436 WeakPolarHBondContact O-CA 3.41Å; I432-N436 PolarHBondContact O-N 3.01Å; N436-I438 PolarHBondContact O-N 2.66Å; N436-S439 VanDerWaalsContact CG-CB 3.46Å; N436-S439 VanDerWaalsContact CG-OG 3.23Å; N436-S439 WeakPolarHBondContact ND2-CB 3.45Å; N436-S439 PolarHBondContact ND2-OG 3.33Å; N436-S439 WeakPolarHBondContact O-CA 3.2Å; N436-S439 WeakPolarHBondContact O-CB 3.39Å; N436-S439 PolarHBondContact O-N 3.33Å; N436-S439 VanDerWaalsContact OD1-CB 3.26Å; N436-S439 WeakPolarHBondContact OD1-CB 3.45Å; N436-S439 PolarHBondContact OD1-OG 3.21Å; N436-V440 PolarHBondContact O-N 3.28Å; N436-V440 VanDerWaalsContact O-N 3.1Å; N436-Q497 PolarHBondContact ND2-OE1 3.25Å; N436-Q497 PolarHBondContact OD1-O 3.21Å; N436-Q497 PolarHBondContact OD1-OE1 2.98Å; N436-E500 PolarHBondContact ND2-OE2 3.38Å | ||
| 437 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -28.3 | -163.8 | 67.9 | 0 | 0 | 0 | 0 | 114.2 | V393 F422 L431 I432 Q435 V440 I441 I482 | V393-V437 HydrophobicContact CB-CG2 4.45Å; V393-V437 HydrophobicContact CG1-CB 4.07Å; V393-V437 HydrophobicContact CG1-CG2 3.88Å; V393-V437 HydrophobicContact CG2-CB 4.31Å; V393-V437 HydrophobicContact CG2-CG2 3.61Å; F422-V437 HydrophobicContact CE1-CG2 4.04Å; F422-V437 HydrophobicContact CZ-CG2 3.91Å; L431-V437 HydrophobicContact CB-CB 4.13Å; L431-V437 HydrophobicContact CB-CG1 3.77Å; L431-V437 PolarHBondContact O-N 2.84Å; I432-V437 HydrophobicContact CG1-CG1 3.79Å; Q435-V437 PolarHBondContact O-N 3.38Å; Q435-V437 VanDerWaalsContact O-N 3.13Å; V437-V440 PolarHBondContact O-N 2.86Å; V437-I441 HydrophobicContact CG2-CD1 3.93Å; V437-I441 HydrophobicContact CG2-CG1 4.23Å; V437-I441 VanDerWaalsContact O-CG1 3.24Å; V437-I441 WeakPolarHBondContact O-CG1 3.48Å; V437-I441 PolarHBondContact O-N 3.18Å; V437-I482 HydrophobicContact CG1-CD1 3.63Å; V437-I482 HydrophobicContact CG1-CG1 3.67Å |
| 438 | I | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.1 | -61.2 | 169.9 | 0 | 0 | 0 | 110.7 | I432 N436 T442 L479 I482 L483 F498 F549 | I432-I438 HydrophobicContact CD1-CD1 3.91Å; I432-I438 HydrophobicContact CD1-CG1 4.44Å; I432-I438 HydrophobicContact CG1-CD1 3.94Å; I432-I438 HydrophobicContact CG1-CG1 4.06Å; I432-I438 HydrophobicContact CG2-CD1 4.02Å; N436-I438 PolarHBondContact O-N 2.66Å; I438-T442 HydrophobicContact CG2-CG2 4.45Å; I438-T442 WeakPolarHBondContact O-CB 3.46Å; I438-T442 VanDerWaalsContact O-CG2 3.29Å; I438-T442 WeakPolarHBondContact O-CG2 3.39Å; I438-T442 PolarHBondContact O-N 3.19Å; I438-T442 PolarHBondContact O-OG1 3.11Å; I438-L479 HydrophobicContact CG2-CD1 3.98Å; I438-I482 HydrophobicContact CG1-CG2 4.02Å; I438-L483 HydrophobicContact CD1-CD2 4.02Å; I438-F498 HydrophobicContact CD1-CD2 3.86Å; I438-F549 HydrophobicContact CG2-CE1 4.23Å; I438-F549 HydrophobicContact CG2-CZ 3.95Å |
| 439 | S | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -44 | 173.7 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | N436 I441 T442 E443 G501 | N436-S439 VanDerWaalsContact CG-CB 3.46Å; N436-S439 VanDerWaalsContact CG-OG 3.23Å; N436-S439 WeakPolarHBondContact ND2-CB 3.45Å; N436-S439 PolarHBondContact ND2-OG 3.33Å; N436-S439 WeakPolarHBondContact O-CA 3.2Å; N436-S439 WeakPolarHBondContact O-CB 3.39Å; N436-S439 PolarHBondContact O-N 3.33Å; N436-S439 VanDerWaalsContact OD1-CB 3.26Å; N436-S439 WeakPolarHBondContact OD1-CB 3.45Å; N436-S439 PolarHBondContact OD1-OG 3.21Å; S439-I441 PolarHBondContact O-N 2.83Å; S439-T442 WeakPolarHBondContact CA-OG1 3.5Å; S439-T442 PolarHBondContact O-N 2.8Å; S439-T442 PolarHBondContact O-OG1 2.7Å; S439-E443 VanDerWaalsContact O-CB 3.27Å; S439-E443 WeakPolarHBondContact O-CB 3.26Å; S439-E443 VanDerWaalsContact O-CG 3.29Å; S439-E443 WeakPolarHBondContact O-CG 3.37Å; S439-E443 PolarHBondContact O-N 3.07Å; S439-G501 VanDerWaalsContact OG-CA 3.24Å; S439-G501 WeakPolarHBondContact OG-CA 3.39Å; S439-G501 PolarHBondContact OG-N 2.94Å; S439-G501 VanDerWaalsContact OG-N 3.07Å |
| 440 | V | 97.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 28.5 Ų | 28.5 | 22% | 0.218 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | V393 Y396 N436 V437 T444 | V393-V440 HydrophobicContact CG1-CG1 4.44Å; V393-V440 HydrophobicContact CG1-CG2 4.26Å; Y396-V440 HydrophobicContact CD1-CG1 4.01Å; Y396-V440 HydrophobicContact CG-CG1 4.39Å; N436-V440 PolarHBondContact O-N 3.28Å; N436-V440 VanDerWaalsContact O-N 3.1Å; V437-V440 PolarHBondContact O-N 2.86Å; V440-T444 WeakPolarHBondContact O-CB 3.12Å; V440-T444 PolarHBondContact O-N 3.16Å; V440-T444 PolarHBondContact O-OG1 3.18Å |
| 441 | I | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -46.3 | 178.5 | -62.2 | 163.2 | 0 | 0 | 0 | 111.1 | Y396 F422 V437 S439 E443 T444 L445 V475 L479 I482 | Y396-I441 HydrophobicContact CD1-CG1 4.43Å; Y396-I441 HydrophobicContact CE1-CB 4.22Å; Y396-I441 HydrophobicContact CE1-CG1 3.76Å; Y396-I441 HydrophobicContact CE1-CG2 4.39Å; Y396-I441 HydrophobicContact CE2-CG1 4.42Å; F422-I441 HydrophobicContact CD2-CD1 4.22Å; F422-I441 HydrophobicContact CE2-CD1 3.82Å; F422-I441 HydrophobicContact CE2-CG1 4.46Å; F422-I441 HydrophobicContact CZ-CD1 4.46Å; V437-I441 HydrophobicContact CG2-CD1 3.93Å; V437-I441 HydrophobicContact CG2-CG1 4.23Å; V437-I441 VanDerWaalsContact O-CG1 3.24Å; V437-I441 WeakPolarHBondContact O-CG1 3.48Å; V437-I441 PolarHBondContact O-N 3.18Å; S439-I441 PolarHBondContact O-N 2.83Å; I441-E443 PolarHBondContact O-N 2.79Å; I441-T444 WeakPolarHBondContact O-CB 3.44Å; I441-T444 PolarHBondContact O-N 2.75Å; I441-L445 PolarHBondContact O-N 3.42Å; I441-V475 HydrophobicContact CG2-CG1 3.99Å; I441-V475 WeakPolarHBondContact CG2-O 3.13Å; I441-L479 HydrophobicContact CG2-CB 3.83Å; I441-I482 HydrophobicContact CD1-CG2 4.14Å |
| 442 | T | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.2 | -30.9 | -178.2 | 54 | 0 | 0 | 0 | 0 | 113.2 | I438 S439 L445 L446 L479 S504 F505 I508 | I438-T442 HydrophobicContact CG2-CG2 4.45Å; I438-T442 WeakPolarHBondContact O-CB 3.46Å; I438-T442 VanDerWaalsContact O-CG2 3.29Å; I438-T442 WeakPolarHBondContact O-CG2 3.39Å; I438-T442 PolarHBondContact O-N 3.19Å; I438-T442 PolarHBondContact O-OG1 3.11Å; S439-T442 WeakPolarHBondContact CA-OG1 3.5Å; S439-T442 PolarHBondContact O-N 2.8Å; S439-T442 PolarHBondContact O-OG1 2.7Å; T442-L445 WeakPolarHBondContact O-CB 3.27Å; T442-L445 PolarHBondContact O-N 2.86Å; T442-L446 VanDerWaalsContact O-CG 3.27Å; T442-L446 WeakPolarHBondContact O-CG 3.39Å; T442-L446 PolarHBondContact O-N 3.26Å; T442-L479 HydrophobicContact CG2-CD1 4.14Å; T442-L479 HydrophobicContact CG2-CD2 3.81Å; T442-S504 VanDerWaalsContact OG1-CB 3.22Å; T442-S504 WeakPolarHBondContact OG1-CB 3.48Å; T442-F505 HydrophobicContact CG2-CB 3.98Å; T442-F505 HydrophobicContact CG2-CD2 4.35Å; T442-I508 HydrophobicContact CG2-CD1 4.37Å |
| 443 | E | 96.3 | Very high | 94.2 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75.3 | -33.4 | 172.7 | -70.4 | -177.3 | 173.2 | 0 | 0 | 112.3 | S439 I441 L445 L446 E447 | S439-E443 VanDerWaalsContact O-CB 3.27Å; S439-E443 WeakPolarHBondContact O-CB 3.26Å; S439-E443 VanDerWaalsContact O-CG 3.29Å; S439-E443 WeakPolarHBondContact O-CG 3.37Å; S439-E443 PolarHBondContact O-N 3.07Å; I441-E443 PolarHBondContact O-N 2.79Å; E443-L445 VanDerWaalsContact C-N 3.33Å; E443-L446 PolarHBondContact O-N 2.82Å; E443-E447 PolarHBondContact O-N 3.09Å; E443-E447 VanDerWaalsContact O-N 3.12Å |
| 444 | T | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 168.9 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | Y396 Q400 V440 I441 L446 E447 V448 V475 | Y396-T444 HydrophobicContact CD1-CG2 4.47Å; Y396-T444 HydrophobicContact CE1-CG2 4.2Å; Q400-T444 HydrophobicContact CB-CG2 3.85Å; Q400-T444 HydrophobicContact CG-CG2 4.35Å; V440-T444 WeakPolarHBondContact O-CB 3.12Å; V440-T444 PolarHBondContact O-N 3.16Å; V440-T444 PolarHBondContact O-OG1 3.18Å; I441-T444 WeakPolarHBondContact O-CB 3.44Å; I441-T444 PolarHBondContact O-N 2.75Å; T444-L446 PolarHBondContact O-N 2.92Å; T444-E447 PolarHBondContact O-N 2.94Å; T444-V448 PolarHBondContact O-N 3.35Å; T444-V475 HydrophobicContact CG2-CG1 4.19Å |
| 445 | L | 95.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 172.1 | -74 | 172.4 | 0 | 0 | 0 | 112.1 | I441 T442 E443 E447 V448 L449 V472 V475 I476 L479 I508 | I441-L445 PolarHBondContact O-N 3.42Å; T442-L445 WeakPolarHBondContact O-CB 3.27Å; T442-L445 PolarHBondContact O-N 2.86Å; E443-L445 VanDerWaalsContact C-N 3.33Å; L445-E447 PolarHBondContact O-N 2.95Å; L445-E447 VanDerWaalsContact O-N 3.13Å; L445-V448 PolarHBondContact O-N 2.99Å; L445-L449 HydrophobicContact CB-CD1 3.96Å; L445-L449 HydrophobicContact CD2-CD1 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.49Å; L445-L449 WeakPolarHBondContact O-CD1 3.49Å; L445-L449 WeakPolarHBondContact O-CG 3.47Å; L445-L449 PolarHBondContact O-N 2.71Å; L445-V472 HydrophobicContact CD2-CG1 4.12Å; L445-V475 HydrophobicContact CD1-CG1 4.49Å; L445-V475 HydrophobicContact CD2-CB 3.71Å; L445-V475 HydrophobicContact CD2-CG1 3.67Å; L445-V475 HydrophobicContact CG-CB 4.28Å; L445-V475 HydrophobicContact CG-CG1 3.67Å; L445-I476 HydrophobicContact CD1-CG1 4.22Å; L445-I476 HydrophobicContact CD2-CG1 3.76Å; L445-L479 HydrophobicContact CD1-CD2 4.41Å; L445-I508 HydrophobicContact CB-CD1 3.73Å; L445-I508 HydrophobicContact CD1-CD1 3.82Å; L445-I508 HydrophobicContact CG-CD1 4.43Å |
| 446 | L | 93.3 | Very high | 93.3 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -15.2 | 179.6 | -72.7 | 164.6 | 0 | 0 | 0 | 114.5 | T442 E443 T444 P450 K507 I508 | T442-L446 VanDerWaalsContact O-CG 3.27Å; T442-L446 WeakPolarHBondContact O-CG 3.39Å; T442-L446 PolarHBondContact O-N 3.26Å; E443-L446 PolarHBondContact O-N 2.82Å; T444-L446 PolarHBondContact O-N 2.92Å; L446-P450 VanDerWaalsContact O-CD 3.27Å; L446-P450 WeakPolarHBondContact O-CD 3.22Å; L446-P450 WeakPolarHBondContact O-CG 3.5Å; L446-K507 HydrophobicContact CD1-CB 4.01Å; L446-K507 HydrophobicContact CD1-CD 3.67Å; L446-K507 HydrophobicContact CD1-CG 4.48Å; L446-K507 HydrophobicContact CD2-CB 3.88Å; L446-I508 HydrophobicContact CD1-CG1 4.48Å; L446-I508 HydrophobicContact CD2-CG1 3.64Å; L446-I508 HydrophobicContact CG-CD1 4.42Å; L446-I508 HydrophobicContact CG-CG1 3.79Å |
| 447 | E | 93.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -98.8 | -20.1 | 175.9 | -75.4 | -170.9 | -166.8 | 0 | 0 | 114.9 | K397 K401 E443 T444 L445 P450 | K397-E447 WeakPolarHBondContact CE-OE1 3.33Å; K397-E447 WeakPolarHBondContact CE-OE2 3.41Å; K397-E447 VanDerWaalsContact NZ-CD 3.28Å; K397-E447 IonicContact NZ-OE1 3.49Å; K397-E447 PolarHBondContact NZ-OE1 3.46Å; K397-E447 IonicContact NZ-OE2 3.71Å; K397-E447 PolarHBondContact NZ-OE2 2.97Å; K401-E447 WeakPolarHBondContact CE-OE2 3.25Å; K401-E447 IonicContact NZ-OE2 2.68Å; K401-E447 PolarHBondContact NZ-OE2 3.33Å; E443-E447 PolarHBondContact O-N 3.09Å; E443-E447 VanDerWaalsContact O-N 3.12Å; T444-E447 PolarHBondContact O-N 2.94Å; L445-E447 PolarHBondContact O-N 2.95Å; L445-E447 VanDerWaalsContact O-N 3.13Å; E447-P450 WeakPolarHBondContact O-CD 3.39Å |
| 448 | V | 91.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -96.8 | -28.9 | 175.1 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | K401 I404 T444 L445 V472 | K401-V448 HydrophobicContact CG-CG1 4Å; I404-V448 HydrophobicContact CD1-CB 4.14Å; I404-V448 HydrophobicContact CD1-CG1 3.82Å; I404-V448 HydrophobicContact CD1-CG2 4.09Å; T444-V448 PolarHBondContact O-N 3.35Å; L445-V448 PolarHBondContact O-N 2.99Å; V448-V472 HydrophobicContact CG2-CG1 4.18Å; V448-V472 HydrophobicContact CG2-CG2 4.08Å |
| 449 | L | 89.1 | Confident | 92.6 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -68.8 | -19 | 176.8 | -70.2 | 172.4 | 0 | 0 | 0 | 116.6 | L445 E451 Y452 F459 V472 I508 | L445-L449 HydrophobicContact CB-CD1 3.96Å; L445-L449 HydrophobicContact CD2-CD1 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.49Å; L445-L449 WeakPolarHBondContact O-CD1 3.49Å; L445-L449 WeakPolarHBondContact O-CG 3.47Å; L445-L449 PolarHBondContact O-N 2.71Å; L449-E451 PolarHBondContact O-N 3.44Å; L449-Y452 HydrophobicContact CD2-CD2 4.16Å; L449-Y452 PolarHBondContact O-N 3.01Å; L449-F459 HydrophobicContact CB-CE1 3.79Å; L449-F459 HydrophobicContact CB-CZ 3.92Å; L449-F459 HydrophobicContact CD1-CZ 3.91Å; L449-F459 HydrophobicContact CD2-CE1 4.26Å; L449-F459 HydrophobicContact CD2-CZ 4.27Å; L449-F459 HydrophobicContact CG-CE1 4.43Å; L449-F459 HydrophobicContact CG-CZ 4.26Å; L449-V472 HydrophobicContact CD2-CG1 3.96Å; L449-I508 HydrophobicContact CD1-CG2 4.05Å |
| 450 | P | 89.5 | Confident | 92.3 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -60.7 | -21.5 | 176.9 | -27.8 | 37.5 | 0 | 0 | 0 | 116.2 | L446 E447 Y452 L453 | L446-P450 VanDerWaalsContact O-CD 3.27Å; L446-P450 WeakPolarHBondContact O-CD 3.22Å; L446-P450 WeakPolarHBondContact O-CG 3.5Å; E447-P450 WeakPolarHBondContact O-CD 3.39Å; P450-Y452 PolarHBondContact O-N 2.63Å; P450-L453 HydrophobicContact CB-CD1 4.34Å; P450-L453 PolarHBondContact O-N 3.02Å |
| 451 | E | 87.6 | Confident | 91.9 | Very high | 131 Ų | 131 | 54.1 Ų | 54.1 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -60.1 | -24.4 | 172.9 | -170 | 173 | 167.8 | 0 | 0 | 111.6 | L449 K468 | L449-E451 PolarHBondContact O-N 3.44Å; E451-K468 IonicContact OE1-NZ 3.43Å; E451-K468 PolarHBondContact OE1-NZ 3.26Å; E451-K468 IonicContact OE2-NZ 2.73Å; E451-K468 PolarHBondContact OE2-NZ 2.92Å |
| 452 | Y | 89.8 | Confident | 91.3 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -104.7 | 12.3 | -178.5 | -45.9 | -72.6 | 0 | 0 | 0 | 113.9 | L449 P450 F459 N460 F461 L469 | L449-Y452 HydrophobicContact CD2-CD2 4.16Å; L449-Y452 PolarHBondContact O-N 3.01Å; P450-Y452 PolarHBondContact O-N 2.63Å; Y452-F459 CarbonylContact O-C 3.56Å; Y452-F459 WeakPolarHBondContact O-CA 3.23Å; Y452-N460 PolarHBondContact O-N 3.32Å; Y452-F461 AromaticContact CD1-CD1 3.78Å; Y452-F461 HydrophobicContact CD1-CD1 3.78Å; Y452-F461 AromaticContact CD1-CE1 3.93Å; Y452-F461 HydrophobicContact CD1-CE1 3.93Å; Y452-F461 HydrophobicContact CD2-CE1 4.21Å; Y452-F461 AromaticContact CG-CD1 3.96Å; Y452-F461 HydrophobicContact CG-CD1 3.96Å; Y452-F461 AromaticContact CG-CE1 3.62Å; Y452-F461 HydrophobicContact CG-CE1 3.62Å; Y452-L469 HydrophobicContact CD2-CD1 4.43Å; Y452-L469 HydrophobicContact CE1-CD1 4.42Å; Y452-L469 HydrophobicContact CE2-CD1 3.9Å |
| 453 | L | 91.5 | Very high | 90.6 | Very high | 52 Ų | 52 | 65 Ų | 65 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -94.3 | 134.6 | -179.4 | -68.3 | 179.6 | 0 | 0 | 0 | 112.8 | P450 K458 F459 C511 | P450-L453 HydrophobicContact CB-CD1 4.34Å; P450-L453 PolarHBondContact O-N 3.02Å; L453-K458 CarbonylContact C-O 3.54Å; L453-K458 WeakPolarHBondContact CA-O 3.33Å; L453-F459 HydrophobicContact CD2-CD1 3.49Å; L453-F459 VanDerWaalsContact CD2-CD1 3.49Å; L453-F459 HydrophobicContact CD2-CE1 3.41Å; L453-F459 VanDerWaalsContact CD2-CE1 3.41Å; L453-F459 HydrophobicContact CD2-CG 4.24Å; L453-F459 HydrophobicContact CD2-CZ 4.17Å; L453-F459 HydrophobicContact CG-CD1 4.31Å; L453-F459 HydrophobicContact CG-CE1 4.08Å; L453-C511 HydrophobicContact CD2-CB 3.85Å |
| 454 | D | 88.9 | Confident | 90.2 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | trans | -78.8 | -179.9 | 171.6 | 92.7 | -29.9 | 0 | 0 | 0 | 112.5 | N456 N457 K458 N460 | D454-N456 PolarHBondContact O-N 3.46Å; D454-N456 VanDerWaalsContact O-N 3.09Å; D454-N456 VanDerWaalsContact OD1-CA 3.27Å; D454-N456 WeakPolarHBondContact OD1-CA 3.43Å; D454-N456 WeakPolarHBondContact OD1-CB 3.09Å; D454-N456 PolarHBondContact OD1-N 2.84Å; D454-N456 PolarHBondContact OD2-ND2 3.13Å; D454-N457 PolarHBondContact O-N 2.83Å; D454-N457 PolarHBondContact OD1-N 3.35Å; D454-N457 VanDerWaalsContact OD1-N 3.12Å; D454-K458 PolarHBondContact N-O 3.44Å; D454-K458 WeakPolarHBondContact OD1-CB 3.35Å; D454-K458 PolarHBondContact OD1-N 3.12Å; D454-N460 HydrophobicContact CB-CB 4.19Å | ||
| 455 | R | 87.9 | Confident | 89.7 | Confident | 247 Ų | 247 | 66.7 Ų | 66.7 | 93% | 0.932 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.7 | 179 | -61 | -179 | -176.1 | 175.6 | 2.2 | 114.4 | ||
| 456 | N | 87.4 | Confident | 89.2 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 4.7 | 177.6 | -54.3 | -65.6 | 0 | 0 | 0 | 112.3 | D454 K458 | D454-N456 PolarHBondContact O-N 3.46Å; D454-N456 VanDerWaalsContact O-N 3.09Å; D454-N456 VanDerWaalsContact OD1-CA 3.27Å; D454-N456 WeakPolarHBondContact OD1-CA 3.43Å; D454-N456 WeakPolarHBondContact OD1-CB 3.09Å; D454-N456 PolarHBondContact OD1-N 2.84Å; D454-N456 PolarHBondContact OD2-ND2 3.13Å; N456-K458 VanDerWaalsContact C-N 3.3Å; N456-K458 HydrophobicContact CB-CG 4.15Å |
| 457 | N | 90.8 | Very high | 88.8 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 57% | 0.572 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 60.3 | 36.9 | -170.7 | -48.8 | -85.7 | 0 | 0 | 0 | 112.8 | D454 C511 | D454-N457 PolarHBondContact O-N 2.83Å; D454-N457 PolarHBondContact OD1-N 3.35Å; D454-N457 VanDerWaalsContact OD1-N 3.12Å; N457-C511 WeakPolarHBondContact O-CA 3.47Å; N457-C511 PolarHBondContact O-SG 2.85Å; N457-C511 VanDerWaalsContact O-SG 3.38Å |
| 458 | K | 92.9 | Very high | 88.6 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | trans | -109.3 | 150.9 | 171.9 | -59 | -61.9 | 175.3 | 174.9 | 0 | 110.4 | L453 D454 N456 T510 C511 Q513 M515 | L453-K458 CarbonylContact C-O 3.54Å; L453-K458 WeakPolarHBondContact CA-O 3.33Å; D454-K458 PolarHBondContact N-O 3.44Å; D454-K458 WeakPolarHBondContact OD1-CB 3.35Å; D454-K458 PolarHBondContact OD1-N 3.12Å; N456-K458 VanDerWaalsContact C-N 3.3Å; N456-K458 HydrophobicContact CB-CG 4.15Å; K458-T510 PolarHBondContact NZ-O 2.82Å; K458-C511 WeakPolarHBondContact CA-O 3.42Å; K458-C511 WeakPolarHBondContact CD-O 3.4Å; K458-Q513 WeakPolarHBondContact CE-O 3.18Å; K458-Q513 PolarHBondContact NZ-O 3.38Å; K458-M515 HydrophobicContact CB-CB 4.49Å | ||
| 459 | F | 92.7 | Very high | 88.5 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.022 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 142.7 | 176.2 | -67.8 | -53.9 | 0 | 0 | 0 | 112.5 | L449 Y452 L453 F461 I508 C511 M512 M515 E516 | L449-F459 HydrophobicContact CB-CE1 3.79Å; L449-F459 HydrophobicContact CB-CZ 3.92Å; L449-F459 HydrophobicContact CD1-CZ 3.91Å; L449-F459 HydrophobicContact CD2-CE1 4.26Å; L449-F459 HydrophobicContact CD2-CZ 4.27Å; L449-F459 HydrophobicContact CG-CE1 4.43Å; L449-F459 HydrophobicContact CG-CZ 4.26Å; Y452-F459 CarbonylContact O-C 3.56Å; Y452-F459 WeakPolarHBondContact O-CA 3.23Å; L453-F459 HydrophobicContact CD2-CD1 3.49Å; L453-F459 VanDerWaalsContact CD2-CD1 3.49Å; L453-F459 HydrophobicContact CD2-CE1 3.41Å; L453-F459 VanDerWaalsContact CD2-CE1 3.41Å; L453-F459 HydrophobicContact CD2-CG 4.24Å; L453-F459 HydrophobicContact CD2-CZ 4.17Å; L453-F459 HydrophobicContact CG-CD1 4.31Å; L453-F459 HydrophobicContact CG-CE1 4.08Å; F459-F461 HydrophobicContact CB-CE2 3.59Å; F459-F461 HydrophobicContact CB-CZ 3.64Å; F459-F461 HydrophobicContact CD1-CZ 4.08Å; F459-F461 HydrophobicContact CD2-CZ 4.5Å; F459-F461 HydrophobicContact CG-CE2 4.25Å; F459-F461 AromaticContact CG-CZ 3.83Å; F459-F461 HydrophobicContact CG-CZ 3.83Å; F459-I508 HydrophobicContact CE2-CG2 4.49Å; F459-C511 HydrophobicContact CD2-CB 4.08Å; F459-C511 HydrophobicContact CE1-CB 4.33Å; F459-C511 HydrophobicContact CE2-CB 3.62Å; F459-C511 HydrophobicContact CZ-CB 3.74Å; F459-C511 PolarHBondContact N-O 2.98Å; F459-M512 HydrophobicContact CD2-CB 4.44Å; F459-M512 HydrophobicContact CD2-CG 3.63Å; F459-M512 HydrophobicContact CE2-CG 3.63Å; F459-M515 HydrophobicContact CB-CB 4.07Å; F459-M515 HydrophobicContact CB-CG 4.49Å; F459-M515 HydrophobicContact CB-SD 3.75Å; F459-M515 HydrophobicContact CD2-SD 3.91Å; F459-M515 HydrophobicContact CG-SD 4.32Å; F459-M515 WeakPolarHBondContact O-CB 3.31Å; F459-E516 PolarHBondContact O-N 3.4Å |
| 460 | N | 91.1 | Very high | 88.5 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | trans | -149.7 | 119.8 | 173.1 | -177.5 | -61 | 0 | 0 | 0 | 107.3 | Y452 D454 Q462 | Y452-N460 PolarHBondContact O-N 3.32Å; D454-N460 HydrophobicContact CB-CB 4.19Å; N460-Q462 VanDerWaalsContact OD1-CB 3.23Å; N460-Q462 WeakPolarHBondContact OD1-CB 3.18Å; N460-Q462 PolarHBondContact OD1-N 3.3Å; N460-Q462 VanDerWaalsContact OD1-N 3.09Å | ||
| 461 | F | 89.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | trans | -101.7 | 18.6 | -174.2 | -61.6 | -75.6 | 0 | 0 | 0 | 113.8 | Y452 F459 G463 Y464 L469 E516 A534 A535 I538 | Y452-F461 AromaticContact CD1-CD1 3.78Å; Y452-F461 HydrophobicContact CD1-CD1 3.78Å; Y452-F461 AromaticContact CD1-CE1 3.93Å; Y452-F461 HydrophobicContact CD1-CE1 3.93Å; Y452-F461 HydrophobicContact CD2-CE1 4.21Å; Y452-F461 AromaticContact CG-CD1 3.96Å; Y452-F461 HydrophobicContact CG-CD1 3.96Å; Y452-F461 AromaticContact CG-CE1 3.62Å; Y452-F461 HydrophobicContact CG-CE1 3.62Å; F459-F461 HydrophobicContact CB-CE2 3.59Å; F459-F461 HydrophobicContact CB-CZ 3.64Å; F459-F461 HydrophobicContact CD1-CZ 4.08Å; F459-F461 HydrophobicContact CD2-CZ 4.5Å; F459-F461 HydrophobicContact CG-CE2 4.25Å; F459-F461 AromaticContact CG-CZ 3.83Å; F459-F461 HydrophobicContact CG-CZ 3.83Å; F461-G463 PolarHBondContact O-N 3.15Å; F461-G463 VanDerWaalsContact O-N 3.08Å; F461-Y464 HydrophobicContact CB-CD1 4.19Å; F461-Y464 HydrophobicContact CB-CG 4.27Å; F461-Y464 WeakPolarHBondContact O-CB 3.2Å; F461-Y464 WeakPolarHBondContact O-CD1 3.38Å; F461-Y464 PolarHBondContact O-N 3.05Å; F461-L469 HydrophobicContact CD1-CD2 4.14Å; F461-L469 HydrophobicContact CE1-CD1 4.3Å; F461-L469 HydrophobicContact CE1-CD2 4.3Å; F461-E516 WeakPolarHBondContact CD2-OE1 3.28Å; F461-E516 PolarHBondContact N-OE1 3.05Å; F461-A534 HydrophobicContact CB-CB 3.49Å; F461-A534 VanDerWaalsContact CB-CB 3.49Å; F461-A534 HydrophobicContact CD1-CB 3.96Å; F461-A534 HydrophobicContact CD2-CB 3.88Å; F461-A534 HydrophobicContact CG-CB 3.48Å; F461-A534 VanDerWaalsContact CG-CB 3.48Å; F461-A535 HydrophobicContact CD2-CB 4.07Å; F461-A535 HydrophobicContact CE2-CB 4.26Å; F461-I538 HydrophobicContact CE1-CD1 3.59Å; F461-I538 HydrophobicContact CE2-CD1 3.84Å; F461-I538 HydrophobicContact CZ-CD1 3.14Å | ||
| 462 | Q | 85.1 | Confident | 88.9 | Confident | 160 Ų | 160 | 66.6 Ų | 66.6 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 115.7 | -178.1 | -173.3 | 171.5 | 15.9 | 0 | 0 | 111.5 | N460 | N460-Q462 VanDerWaalsContact OD1-CB 3.23Å; N460-Q462 WeakPolarHBondContact OD1-CB 3.18Å; N460-Q462 PolarHBondContact OD1-N 3.3Å; N460-Q462 VanDerWaalsContact OD1-N 3.09Å |
| 463 | G | 82.5 | Confident | 89.1 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 23.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F461 D531 | F461-G463 PolarHBondContact O-N 3.15Å; F461-G463 VanDerWaalsContact O-N 3.08Å; G463-D531 PolarHBondContact N-OD2 2.87Å |
| 464 | Y | 86.9 | Confident | 89.1 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | trans | -60.9 | 152.2 | 176.3 | 79.6 | -67 | 0 | 0 | 0 | 113.7 | F461 Q466 L469 A534 | F461-Y464 HydrophobicContact CB-CD1 4.19Å; F461-Y464 HydrophobicContact CB-CG 4.27Å; F461-Y464 WeakPolarHBondContact O-CB 3.2Å; F461-Y464 WeakPolarHBondContact O-CD1 3.38Å; F461-Y464 PolarHBondContact O-N 3.05Å; Y464-Q466 HydrophobicContact CE2-CB 4.09Å; Y464-Q466 HydrophobicContact CE2-CG 4.45Å; Y464-L469 HydrophobicContact CD2-CB 3.93Å; Y464-L469 HydrophobicContact CD2-CD2 3.5Å; Y464-L469 HydrophobicContact CD2-CG 4.35Å; Y464-L469 HydrophobicContact CE2-CB 4.29Å; Y464-L469 HydrophobicContact CE2-CD2 3.64Å; Y464-L469 HydrophobicContact CG-CD2 4.49Å; Y464-A534 HydrophobicContact CD1-CB 4.21Å; Y464-A534 HydrophobicContact CD2-CB 4.17Å; Y464-A534 HydrophobicContact CE1-CB 3.92Å; Y464-A534 HydrophobicContact CE2-CB 3.86Å; Y464-A534 HydrophobicContact CG-CB 4.33Å | ||
| 465 | S | 86.7 | Confident | 89.5 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | trans | -82.5 | 120 | 165.2 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | D467 K468 L469 | S465-D467 VanDerWaalsContact C-N 3.33Å; S465-D467 PolarHBondContact O-N 2.91Å; S465-K468 PolarHBondContact OG-N 2.9Å; S465-L469 WeakPolarHBondContact O-CB 3.37Å; S465-L469 PolarHBondContact O-N 3.43Å; S465-L469 VanDerWaalsContact O-N 3.09Å | ||
| 466 | Q | 85.8 | Confident | 89.8 | Confident | 152 Ų | 152 | 51.9 Ų | 51.9 | 71% | 0.71 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.8 | -35.3 | 178.3 | -173.8 | 177.7 | -6 | 0 | 0 | 112.5 | Y464 G470 | Y464-Q466 HydrophobicContact CE2-CB 4.09Å; Y464-Q466 HydrophobicContact CE2-CG 4.45Å; Q466-G470 PolarHBondContact O-N 3.21Å |
| 467 | D | 84.8 | Confident | 90.2 | Very high | 82 Ų | 82 | 48 Ų | 48 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.2 | -56.4 | 177.6 | -179.3 | 76.9 | 0 | 0 | 0 | 111.3 | S465 L469 G470 R471 | S465-D467 VanDerWaalsContact C-N 3.33Å; S465-D467 PolarHBondContact O-N 2.91Å; D467-L469 VanDerWaalsContact C-N 3.28Å; D467-L469 PolarHBondContact O-N 3.33Å; D467-G470 CarbonylContact O-C 3.57Å; D467-G470 VanDerWaalsContact O-CA 3.3Å; D467-G470 WeakPolarHBondContact O-CA 3.34Å; D467-G470 PolarHBondContact O-N 3.14Å; D467-R471 PolarHBondContact O-N 3.07Å; D467-R471 IonicContact OD1-NE 3.8Å; D467-R471 IonicContact OD1-NH2 3.35Å; D467-R471 IonicContact OD2-CZ 3.51Å; D467-R471 IonicContact OD2-NE 2.66Å; D467-R471 PolarHBondContact OD2-NE 3.43Å; D467-R471 IonicContact OD2-NH2 2.65Å |
| 468 | K | 88 | Confident | 90.4 | Very high | 77 Ų | 77 | 43 Ų | 43 | 34% | 0.335 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.2 | -45.5 | 176.7 | -75.8 | -170.1 | 173.3 | -168.9 | 0 | 112 | E451 S465 G470 R471 V472 | E451-K468 IonicContact OE1-NZ 3.43Å; E451-K468 PolarHBondContact OE1-NZ 3.26Å; E451-K468 IonicContact OE2-NZ 2.73Å; E451-K468 PolarHBondContact OE2-NZ 2.92Å; S465-K468 PolarHBondContact OG-N 2.9Å; K468-G470 VanDerWaalsContact C-N 3.31Å; K468-G470 PolarHBondContact O-N 3.49Å; K468-R471 WeakPolarHBondContact O-CB 3.45Å; K468-R471 PolarHBondContact O-N 3.28Å; K468-V472 WeakPolarHBondContact O-CG2 3.42Å; K468-V472 PolarHBondContact O-N 3.37Å |
| 469 | L | 90 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -33.9 | 179.6 | -170.7 | 64.4 | 0 | 0 | 0 | 111.5 | Y452 F461 Y464 S465 D467 R471 V472 Y473 A534 I538 | Y452-L469 HydrophobicContact CD2-CD1 4.43Å; Y452-L469 HydrophobicContact CE1-CD1 4.42Å; Y452-L469 HydrophobicContact CE2-CD1 3.9Å; F461-L469 HydrophobicContact CD1-CD2 4.14Å; F461-L469 HydrophobicContact CE1-CD1 4.3Å; F461-L469 HydrophobicContact CE1-CD2 4.3Å; Y464-L469 HydrophobicContact CD2-CB 3.93Å; Y464-L469 HydrophobicContact CD2-CD2 3.5Å; Y464-L469 HydrophobicContact CD2-CG 4.35Å; Y464-L469 HydrophobicContact CE2-CB 4.29Å; Y464-L469 HydrophobicContact CE2-CD2 3.64Å; Y464-L469 HydrophobicContact CG-CD2 4.49Å; S465-L469 WeakPolarHBondContact O-CB 3.37Å; S465-L469 PolarHBondContact O-N 3.43Å; S465-L469 VanDerWaalsContact O-N 3.09Å; D467-L469 VanDerWaalsContact C-N 3.28Å; D467-L469 PolarHBondContact O-N 3.33Å; L469-R471 VanDerWaalsContact C-N 3.34Å; L469-V472 HydrophobicContact CD1-CB 4.38Å; L469-V472 WeakPolarHBondContact O-CB 3.48Å; L469-V472 PolarHBondContact O-N 2.89Å; L469-Y473 HydrophobicContact CD1-CE1 4.15Å; L469-Y473 HydrophobicContact CD2-CE1 4.26Å; L469-Y473 WeakPolarHBondContact CD2-OH 3.42Å; L469-Y473 HydrophobicContact CG-CE1 3.73Å; L469-Y473 VanDerWaalsContact O-CD1 3.28Å; L469-Y473 WeakPolarHBondContact O-CD1 3.34Å; L469-Y473 PolarHBondContact O-N 2.97Å; L469-Y473 VanDerWaalsContact O-N 3.09Å; L469-A534 HydrophobicContact CD2-CB 3.73Å; L469-I538 HydrophobicContact CD1-CD1 4.18Å; L469-I538 HydrophobicContact CD2-CD1 4.5Å |
| 470 | G | 89.8 | Confident | 90.7 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.1 | -43.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q466 D467 K468 Y473 | Q466-G470 PolarHBondContact O-N 3.21Å; D467-G470 CarbonylContact O-C 3.57Å; D467-G470 VanDerWaalsContact O-CA 3.3Å; D467-G470 WeakPolarHBondContact O-CA 3.34Å; D467-G470 PolarHBondContact O-N 3.14Å; K468-G470 VanDerWaalsContact C-N 3.31Å; K468-G470 PolarHBondContact O-N 3.49Å; G470-Y473 WeakPolarHBondContact O-CB 3.12Å; G470-Y473 PolarHBondContact O-N 3Å |
| 471 | R | 91.7 | Very high | 90.8 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 173.9 | -61.8 | 173.3 | -177.7 | -90.6 | -7.2 | 111.8 | Y403 I404 D406 D407 H408 D467 K468 L469 Y473 A474 | Y403-R471 HydrophobicContact CE1-CB 3.91Å; Y403-R471 HydrophobicContact CE1-CG 4.17Å; Y403-R471 WeakPolarHBondContact O-CD 3.43Å; Y403-R471 PolarHBondContact O-NH1 3.49Å; I404-R471 HydrophobicContact CB-CB 4.4Å; I404-R471 HydrophobicContact CG1-CB 3.95Å; D406-R471 PolarHBondContact O-NE 2.98Å; D406-R471 PolarHBondContact O-NH1 2.91Å; D406-R471 PolarHBondContact O-NH2 3Å; D407-R471 PolarHBondContact O-NH2 2.92Å; H408-R471 PolarHBondContact O-NH1 3.23Å; H408-R471 PolarHBondContact O-NH2 3.27Å; D467-R471 PolarHBondContact O-N 3.07Å; D467-R471 IonicContact OD1-NE 3.8Å; D467-R471 IonicContact OD1-NH2 3.35Å; D467-R471 IonicContact OD2-CZ 3.51Å; D467-R471 IonicContact OD2-NE 2.66Å; D467-R471 PolarHBondContact OD2-NE 3.43Å; D467-R471 IonicContact OD2-NH2 2.65Å; K468-R471 WeakPolarHBondContact O-CB 3.45Å; K468-R471 PolarHBondContact O-N 3.28Å; L469-R471 VanDerWaalsContact C-N 3.34Å; R471-Y473 VanDerWaalsContact C-N 3.26Å; R471-Y473 PolarHBondContact O-N 3.21Å; R471-A474 WeakPolarHBondContact O-CB 3.47Å; R471-A474 PolarHBondContact O-N 3.42Å |
| 472 | V | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -32.3 | 173 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | I404 L445 V448 L449 K468 L469 A474 V475 I476 | I404-V472 HydrophobicContact CD1-CG2 3.94Å; I404-V472 HydrophobicContact CG1-CG2 4.32Å; I404-V472 HydrophobicContact CG2-CG2 4.39Å; L445-V472 HydrophobicContact CD2-CG1 4.12Å; V448-V472 HydrophobicContact CG2-CG1 4.18Å; V448-V472 HydrophobicContact CG2-CG2 4.08Å; L449-V472 HydrophobicContact CD2-CG1 3.96Å; K468-V472 WeakPolarHBondContact O-CG2 3.42Å; K468-V472 PolarHBondContact O-N 3.37Å; L469-V472 HydrophobicContact CD1-CB 4.38Å; L469-V472 WeakPolarHBondContact O-CB 3.48Å; L469-V472 PolarHBondContact O-N 2.89Å; V472-A474 PolarHBondContact O-N 2.99Å; V472-V475 PolarHBondContact O-N 2.88Å; V472-V475 VanDerWaalsContact O-N 3.14Å; V472-I476 PolarHBondContact O-N 3.47Å |
| 473 | Y | 93.1 | Very high | 91.5 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -22.2 | 174.4 | -56.1 | -25.3 | 0 | 0 | 0 | 113.1 | L469 G470 R471 V475 I476 C477 A537 I538 Q541 | L469-Y473 HydrophobicContact CD1-CE1 4.15Å; L469-Y473 HydrophobicContact CD2-CE1 4.26Å; L469-Y473 WeakPolarHBondContact CD2-OH 3.42Å; L469-Y473 HydrophobicContact CG-CE1 3.73Å; L469-Y473 VanDerWaalsContact O-CD1 3.28Å; L469-Y473 WeakPolarHBondContact O-CD1 3.34Å; L469-Y473 PolarHBondContact O-N 2.97Å; L469-Y473 VanDerWaalsContact O-N 3.09Å; G470-Y473 WeakPolarHBondContact O-CB 3.12Å; G470-Y473 PolarHBondContact O-N 3Å; R471-Y473 VanDerWaalsContact C-N 3.26Å; R471-Y473 PolarHBondContact O-N 3.21Å; Y473-V475 VanDerWaalsContact C-N 3.34Å; Y473-V475 PolarHBondContact O-N 3.12Å; Y473-I476 HydrophobicContact CD1-CD1 4.16Å; Y473-I476 PolarHBondContact O-N 3.43Å; Y473-C477 WeakPolarHBondContact O-CB 3.49Å; Y473-C477 PolarHBondContact O-N 3.5Å; Y473-A537 VanDerWaalsContact OH-CB 3.29Å; Y473-A537 WeakPolarHBondContact OH-CB 3.27Å; Y473-I538 HydrophobicContact CE1-CG1 3.72Å; Y473-Q541 HydrophobicContact CD1-CG 4.1Å; Y473-Q541 HydrophobicContact CG-CG 4.12Å |
| 474 | A | 92.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 32 Ų | 32 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y403 R410 R471 V472 C477 D478 | Y403-A474 HydrophobicContact CD1-CB 4.48Å; Y403-A474 HydrophobicContact CE1-CB 3.83Å; R410-A474 PolarHBondContact NH1-O 3.16Å; R471-A474 WeakPolarHBondContact O-CB 3.47Å; R471-A474 PolarHBondContact O-N 3.42Å; V472-A474 PolarHBondContact O-N 2.99Å; A474-C477 WeakPolarHBondContact O-CB 3.46Å; A474-C477 PolarHBondContact O-N 3.33Å; A474-C477 VanDerWaalsContact O-N 3.16Å; A474-D478 PolarHBondContact O-N 2.86Å |
| 475 | V | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -35.8 | 179 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | Y396 Q400 I404 I441 T444 L445 V472 Y473 D478 L479 | Y396-V475 HydrophobicContact CE1-CG1 4.25Å; Q400-V475 HydrophobicContact CB-CG2 4.03Å; Q400-V475 HydrophobicContact CG-CG2 4.08Å; I404-V475 HydrophobicContact CD1-CG2 4.17Å; I441-V475 HydrophobicContact CG2-CG1 3.99Å; I441-V475 WeakPolarHBondContact CG2-O 3.13Å; T444-V475 HydrophobicContact CG2-CG1 4.19Å; L445-V475 HydrophobicContact CD1-CG1 4.49Å; L445-V475 HydrophobicContact CD2-CB 3.71Å; L445-V475 HydrophobicContact CD2-CG1 3.67Å; L445-V475 HydrophobicContact CG-CB 4.28Å; L445-V475 HydrophobicContact CG-CG1 3.67Å; V472-V475 PolarHBondContact O-N 2.88Å; V472-V475 VanDerWaalsContact O-N 3.14Å; Y473-V475 VanDerWaalsContact C-N 3.34Å; Y473-V475 PolarHBondContact O-N 3.12Å; V475-D478 PolarHBondContact O-N 2.77Å; V475-L479 PolarHBondContact O-N 3.32Å |
| 476 | I | 95.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 172.2 | -57.3 | -179.3 | 0 | 0 | 0 | 110.4 | L445 V472 Y473 D478 L479 K480 Q541 L542 I545 | L445-I476 HydrophobicContact CD1-CG1 4.22Å; L445-I476 HydrophobicContact CD2-CG1 3.76Å; V472-I476 PolarHBondContact O-N 3.47Å; Y473-I476 HydrophobicContact CD1-CD1 4.16Å; Y473-I476 PolarHBondContact O-N 3.43Å; I476-D478 VanDerWaalsContact C-N 3.31Å; I476-D478 PolarHBondContact O-N 2.87Å; I476-L479 WeakPolarHBondContact O-CB 3.44Å; I476-L479 PolarHBondContact O-N 2.94Å; I476-K480 PolarHBondContact O-N 3.03Å; I476-K480 VanDerWaalsContact O-N 3.12Å; I476-Q541 HydrophobicContact CG2-CB 3.89Å; I476-L542 HydrophobicContact CG2-CD2 3.76Å; I476-L542 HydrophobicContact CG2-CG 4.39Å; I476-I545 HydrophobicContact CG2-CD1 3.57Å; I476-I545 VanDerWaalsContact O-CD1 3.25Å; I476-I545 WeakPolarHBondContact O-CD1 3.29Å |
| 477 | C | 94.2 | Very high | 91.8 | Very high | 34 Ų | 34 | 25 Ų | 25 | 23% | 0.23 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 176.7 | -157.5 | 0 | 0 | 0 | 0 | 112 | Y473 A474 L479 K480 Y481 | Y473-C477 WeakPolarHBondContact O-CB 3.49Å; Y473-C477 PolarHBondContact O-N 3.5Å; A474-C477 WeakPolarHBondContact O-CB 3.46Å; A474-C477 PolarHBondContact O-N 3.33Å; A474-C477 VanDerWaalsContact O-N 3.16Å; C477-L479 VanDerWaalsContact C-N 3.33Å; C477-L479 PolarHBondContact O-N 3.19Å; C477-K480 WeakPolarHBondContact O-CA 3.15Å; C477-K480 VanDerWaalsContact O-CB 3.23Å; C477-K480 WeakPolarHBondContact O-CB 3.17Å; C477-K480 PolarHBondContact O-N 3.49Å; C477-Y481 HydrophobicContact CB-CE2 4.49Å; C477-Y481 WeakPolarHBondContact O-CD2 3.41Å; C477-Y481 PolarHBondContact O-N 3.36Å; C477-Y481 PolarHBondContact SG-OH 3.01Å; C477-Y481 VanDerWaalsContact SG-OH 3.4Å |
| 478 | D | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 176.2 | -70.8 | 0.2 | 0 | 0 | 0 | 112.4 | Y396 Q400 R410 S418 F422 A474 V475 I476 K480 Y481 I482 | Y396-D478 WeakPolarHBondContact CE2-OD2 3.38Å; Y396-D478 VanDerWaalsContact OH-CB 3.25Å; Y396-D478 WeakPolarHBondContact OH-CB 3.47Å; Y396-D478 PolarHBondContact OH-OD2 3.36Å; Y396-D478 VanDerWaalsContact OH-OD2 3.06Å; Q400-D478 PolarHBondContact NE2-OD2 3.14Å; R410-D478 IonicContact CZ-OD1 3.82Å; R410-D478 IonicContact NH1-OD1 3.3Å; R410-D478 IonicContact NH2-OD1 2.67Å; R410-D478 PolarHBondContact NH2-OD1 3.21Å; R410-D478 IonicContact NH2-OD2 3.35Å; R410-D478 PolarHBondContact NH2-OD2 3.2Å; S418-D478 WeakPolarHBondContact CB-OD1 3.48Å; S418-D478 VanDerWaalsContact CB-OD2 3.31Å; S418-D478 WeakPolarHBondContact CB-OD2 3.39Å; S418-D478 PolarHBondContact OG-OD1 3.42Å; S418-D478 PolarHBondContact OG-OD2 3.03Å; F422-D478 HydrophobicContact CD2-CB 4.08Å; F422-D478 HydrophobicContact CE2-CB 4.05Å; A474-D478 PolarHBondContact O-N 2.86Å; V475-D478 PolarHBondContact O-N 2.77Å; I476-D478 VanDerWaalsContact C-N 3.31Å; I476-D478 PolarHBondContact O-N 2.87Å; D478-K480 VanDerWaalsContact C-N 3.3Å; D478-K480 PolarHBondContact O-N 3.37Å; D478-Y481 PolarHBondContact O-N 3Å; D478-I482 PolarHBondContact O-N 2.98Å; D478-I482 VanDerWaalsContact O-N 3.16Å |
| 479 | L | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -31.3 | 170.1 | -175.5 | 58.5 | 0 | 0 | 0 | 112.3 | I438 I441 T442 L445 V475 I476 C477 I482 L483 F505 I545 F549 | I438-L479 HydrophobicContact CG2-CD1 3.98Å; I441-L479 HydrophobicContact CG2-CB 3.83Å; T442-L479 HydrophobicContact CG2-CD1 4.14Å; T442-L479 HydrophobicContact CG2-CD2 3.81Å; L445-L479 HydrophobicContact CD1-CD2 4.41Å; V475-L479 PolarHBondContact O-N 3.32Å; I476-L479 WeakPolarHBondContact O-CB 3.44Å; I476-L479 PolarHBondContact O-N 2.94Å; C477-L479 VanDerWaalsContact C-N 3.33Å; C477-L479 PolarHBondContact O-N 3.19Å; L479-I482 HydrophobicContact CD1-CG2 4.26Å; L479-L483 HydrophobicContact CD1-CD1 4.27Å; L479-L483 HydrophobicContact CG-CD1 4.38Å; L479-L483 WeakPolarHBondContact O-CD1 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.49Å; L479-F505 HydrophobicContact CD2-CD2 3.88Å; L479-F505 HydrophobicContact CD2-CE2 4.07Å; L479-I545 HydrophobicContact CB-CD1 4.27Å; L479-I545 HydrophobicContact CD2-CG2 3.97Å; L479-I545 HydrophobicContact CG-CD1 4.38Å; L479-I545 HydrophobicContact CG-CG2 4.07Å; L479-F549 HydrophobicContact CD1-CE2 4.44Å; L479-F549 HydrophobicContact CD1-CZ 4.24Å; L479-F549 HydrophobicContact CD2-CE2 4.34Å |
| 480 | K | 94.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 31.5 Ų | 31.5 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -49.7 | 169.6 | -168 | -161.5 | 173.4 | -166 | 0 | 110.3 | I476 C477 D478 I482 L483 I484 I545 M548 E794 | I476-K480 PolarHBondContact O-N 3.03Å; I476-K480 VanDerWaalsContact O-N 3.12Å; C477-K480 WeakPolarHBondContact O-CA 3.15Å; C477-K480 VanDerWaalsContact O-CB 3.23Å; C477-K480 WeakPolarHBondContact O-CB 3.17Å; C477-K480 PolarHBondContact O-N 3.49Å; D478-K480 VanDerWaalsContact C-N 3.3Å; D478-K480 PolarHBondContact O-N 3.37Å; K480-I482 PolarHBondContact O-N 3.41Å; K480-L483 PolarHBondContact O-N 3.46Å; K480-I484 PolarHBondContact O-N 2.86Å; K480-I545 HydrophobicContact CB-CD1 4.09Å; K480-I545 HydrophobicContact CB-CG1 3.9Å; K480-I545 HydrophobicContact CG-CG1 4.31Å; K480-M548 HydrophobicContact CG-CE 4.16Å; K480-M548 HydrophobicContact CG-SD 3.79Å; K480-M548 WeakPolarHBondContact O-CE 3.48Å; K480-E794 PolarHBondContact NZ-O 3.18Å |
| 481 | Y | 94.2 | Very high | 92 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -50 | -175.9 | -63.6 | -39.1 | 0 | 0 | 0 | 112.2 | T120 V419 F422 T423 C477 D478 L483 I484 | T120-Y481 HydrophobicContact CG2-CD1 4.37Å; T120-Y481 HydrophobicContact CG2-CE1 3.88Å; V419-Y481 HydrophobicContact CB-CD2 4.1Å; V419-Y481 HydrophobicContact CB-CE2 3.69Å; V419-Y481 HydrophobicContact CG2-CD1 4.15Å; V419-Y481 HydrophobicContact CG2-CD2 4.2Å; V419-Y481 HydrophobicContact CG2-CE1 3.71Å; V419-Y481 HydrophobicContact CG2-CE2 3.78Å; V419-Y481 HydrophobicContact CG2-CG 4.4Å; F422-Y481 CarbonylContact O-C 3.44Å; F422-Y481 VanDerWaalsContact O-O 3.09Å; T423-Y481 HydrophobicContact CG2-CD1 3.95Å; T423-Y481 HydrophobicContact CG2-CG 4.12Å; C477-Y481 HydrophobicContact CB-CE2 4.49Å; C477-Y481 WeakPolarHBondContact O-CD2 3.41Å; C477-Y481 PolarHBondContact O-N 3.36Å; C477-Y481 PolarHBondContact SG-OH 3.01Å; C477-Y481 VanDerWaalsContact SG-OH 3.4Å; D478-Y481 PolarHBondContact O-N 3Å; Y481-L483 PolarHBondContact O-N 2.86Å; Y481-L483 VanDerWaalsContact O-N 3.13Å; Y481-I484 HydrophobicContact CD1-CD1 4.15Å; Y481-I484 WeakPolarHBondContact O-CB 3.46Å; Y481-I484 WeakPolarHBondContact O-CG1 3.44Å; Y481-I484 PolarHBondContact O-N 2.96Å; Y481-I484 VanDerWaalsContact O-N 3.08Å |
| 482 | I | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -24.1 | -177.2 | -159.3 | 76.9 | 0 | 0 | 0 | 113.6 | F422 A428 I432 V437 I438 I441 D478 L479 K480 | F422-I482 HydrophobicContact CB-CB 4.21Å; F422-I482 HydrophobicContact CB-CD1 3.87Å; F422-I482 HydrophobicContact CD1-CD1 3.95Å; F422-I482 HydrophobicContact CG-CD1 3.94Å; F422-I482 WeakPolarHBondContact O-CA 3.27Å; A428-I482 HydrophobicContact CB-CD1 3.76Å; I432-I482 HydrophobicContact CD1-CG1 4.1Å; I432-I482 HydrophobicContact CG1-CD1 4.49Å; I432-I482 HydrophobicContact CG1-CG1 3.99Å; V437-I482 HydrophobicContact CG1-CD1 3.63Å; V437-I482 HydrophobicContact CG1-CG1 3.67Å; I438-I482 HydrophobicContact CG1-CG2 4.02Å; I441-I482 HydrophobicContact CD1-CG2 4.14Å; D478-I482 PolarHBondContact O-N 2.98Å; D478-I482 VanDerWaalsContact O-N 3.16Å; L479-I482 HydrophobicContact CD1-CG2 4.26Å; K480-I482 PolarHBondContact O-N 3.41Å |
| 483 | L | 93.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.7 | 179.5 | -66.9 | 173.4 | 0 | 0 | 0 | 113.8 | I438 L479 K480 Y481 S485 F498 I545 M548 F549 W552 | I438-L483 HydrophobicContact CD1-CD2 4.02Å; L479-L483 HydrophobicContact CD1-CD1 4.27Å; L479-L483 HydrophobicContact CG-CD1 4.38Å; L479-L483 WeakPolarHBondContact O-CD1 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.49Å; K480-L483 PolarHBondContact O-N 3.46Å; Y481-L483 PolarHBondContact O-N 2.86Å; Y481-L483 VanDerWaalsContact O-N 3.13Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-S485 PolarHBondContact O-N 3.45Å; L483-F498 HydrophobicContact CD2-CE2 4.29Å; L483-I545 HydrophobicContact CD1-CG2 4Å; L483-M548 VanDerWaalsContact C-CE 3.42Å; L483-M548 HydrophobicContact CB-CB 4.06Å; L483-M548 HydrophobicContact CB-CE 3.84Å; L483-M548 HydrophobicContact CB-SD 4.44Å; L483-M548 HydrophobicContact CD1-CB 4.33Å; L483-M548 WeakPolarHBondContact O-CE 3.36Å; L483-F549 HydrophobicContact CD1-CD1 4.41Å; L483-F549 HydrophobicContact CD1-CD2 3.84Å; L483-F549 HydrophobicContact CD1-CE1 4.26Å; L483-F549 HydrophobicContact CD1-CE2 3.66Å; L483-F549 HydrophobicContact CD1-CG 4.22Å; L483-F549 HydrophobicContact CD1-CZ 3.89Å; L483-F549 HydrophobicContact CD2-CD1 4.41Å; L483-F549 HydrophobicContact CD2-CE1 4.18Å; L483-F549 HydrophobicContact CD2-CZ 4.47Å; L483-W552 HydrophobicContact CD2-CD2 4.17Å; L483-W552 HydrophobicContact CD2-CG 4.48Å; L483-W552 HydrophobicContact CD2-CZ2 4.29Å; L483-W552 PolarHBondContact O-NE1 3.25Å |
| 484 | I | 89.5 | Confident | 92.2 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.159 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -58.5 | -46.6 | -178.5 | -72.5 | 174.7 | 0 | 0 | 0 | 111.1 | D118 T423 K480 Y481 K486 M548 | D118-I484 HydrophobicContact CB-CD1 4.25Å; D118-I484 HydrophobicContact CB-CG2 3.5Å; T423-I484 HydrophobicContact CG2-CD1 4.25Å; K480-I484 PolarHBondContact O-N 2.86Å; Y481-I484 HydrophobicContact CD1-CD1 4.15Å; Y481-I484 WeakPolarHBondContact O-CB 3.46Å; Y481-I484 WeakPolarHBondContact O-CG1 3.44Å; Y481-I484 PolarHBondContact O-N 2.96Å; Y481-I484 VanDerWaalsContact O-N 3.08Å; I484-K486 PolarHBondContact O-N 3.11Å; I484-M548 HydrophobicContact CB-CE 4.36Å; I484-M548 HydrophobicContact CG1-CE 3.8Å |
| 485 | S | 83.9 | Confident | 92.3 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -94.6 | 73.2 | -168 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | T423 P425 L483 | T423-S485 PolarHBondContact O-OG 3.2Å; P425-S485 WeakPolarHBondContact CG-OG 3.37Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-S485 PolarHBondContact O-N 3.45Å |
| 486 | K | 87.7 | Confident | 92.3 | Very high | 101 Ų | 101 | 47.5 Ų | 47.5 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | trans | -55.6 | 135.4 | -179.7 | 66.3 | -170.5 | 171.4 | -150 | 0 | 113.3 | I484 E551 W552 | I484-K486 PolarHBondContact O-N 3.11Å; K486-E551 IonicContact NZ-OE2 2.6Å; K486-E551 PolarHBondContact NZ-OE2 3.19Å; K486-W552 HydrophobicContact CB-CD2 4.47Å; K486-W552 HydrophobicContact CB-CG 4.41Å | ||
| 487 | P | 86.7 | Confident | 92.4 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | trans | -73.7 | 134.9 | -174 | 29.5 | -35.9 | 0 | 0 | 0 | 111.8 | W490 L494 W552 | P487-W490 HydrophobicContact CG-CD2 4Å; P487-W490 VanDerWaalsContact CG-CE2 3.45Å; P487-W490 HydrophobicContact CG-CE3 4.41Å; P487-W490 HydrophobicContact CG-CH2 3.89Å; P487-W490 HydrophobicContact CG-CZ2 3.4Å; P487-W490 HydrophobicContact CG-CZ3 4.36Å; P487-L494 HydrophobicContact CB-CD2 3.88Å; P487-L494 HydrophobicContact CG-CD2 4.19Å; P487-W552 VanDerWaalsContact CD-CE3 3.49Å; P487-W552 VanDerWaalsContact CD-CZ3 3.44Å; P487-W552 HydrophobicContact CG-CE3 4Å; P487-W552 HydrophobicContact CG-CH2 4.4Å; P487-W552 HydrophobicContact CG-CZ3 3.87Å | ||
| 488 | T | 85.1 | Confident | 92.5 | Very high | 130 Ų | 130 | 47.5 Ų | 47.5 | 80% | 0.798 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -87.1 | -16.6 | 171.3 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 489 | I | 87.2 | Confident | 92.5 | Very high | 136 Ų | 136 | 48.3 Ų | 48.3 | 70% | 0.697 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -135.1 | 131 | -179.7 | -57.5 | 175.7 | 0 | 0 | 0 | 107.5 | ||
| 490 | W | 91.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | trans | -113.2 | 115.2 | -178.4 | -77.1 | 98.2 | 0 | 0 | 0 | 111.7 | P487 L494 R495 F498 W552 C555 D556 L559 | P487-W490 HydrophobicContact CG-CD2 4Å; P487-W490 VanDerWaalsContact CG-CE2 3.45Å; P487-W490 HydrophobicContact CG-CE3 4.41Å; P487-W490 HydrophobicContact CG-CH2 3.89Å; P487-W490 HydrophobicContact CG-CZ2 3.4Å; P487-W490 HydrophobicContact CG-CZ3 4.36Å; W490-L494 HydrophobicContact CD2-CD2 4.43Å; W490-L494 HydrophobicContact CE3-CB 4.26Å; W490-L494 HydrophobicContact CE3-CD2 3.88Å; W490-L494 HydrophobicContact CE3-CG 3.79Å; W490-L494 HydrophobicContact CZ3-CD2 4.22Å; W490-L494 HydrophobicContact CZ3-CG 3.84Å; W490-R495 HydrophobicContact CB-CG 4.31Å; W490-R495 VanDerWaalsContact CB-CZ 3.46Å; W490-R495 VanDerWaalsContact CB-NH2 3.29Å; W490-R495 HydrophobicContact CD2-CG 4.28Å; W490-R495 HydrophobicContact CE3-CB 4.42Å; W490-R495 HydrophobicContact CE3-CG 3.66Å; W490-R495 HydrophobicContact CZ3-CG 4.32Å; W490-R495 PolarHBondContact O-NH1 2.74Å; W490-R495 PolarHBondContact O-NH2 2.94Å; W490-F498 HydrophobicContact CH2-CB 4.21Å; W490-F498 AromaticContact CH2-CD1 3.97Å; W490-F498 HydrophobicContact CH2-CD1 3.97Å; W490-F498 HydrophobicContact CH2-CD2 4.36Å; W490-F498 HydrophobicContact CH2-CE1 4.46Å; W490-F498 AromaticContact CH2-CG 3.91Å; W490-F498 HydrophobicContact CH2-CG 3.91Å; W490-F498 HydrophobicContact CZ3-CB 4.01Å; W490-F498 HydrophobicContact CZ3-CD1 4.39Å; W490-F498 HydrophobicContact CZ3-CG 4.22Å; W490-W552 AromaticContact CH2-CE3 3.86Å; W490-W552 HydrophobicContact CH2-CE3 3.86Å; W490-W552 HydrophobicContact CH2-CZ3 4.36Å; W490-W552 HydrophobicContact CZ2-CE3 4.22Å; W490-C555 HydrophobicContact CZ2-CB 4.47Å; W490-D556 HydrophobicContact CG-CB 4.32Å; W490-L559 HydrophobicContact CD2-CD2 4.5Å; W490-L559 HydrophobicContact CE3-CD2 4.43Å; W490-L559 HydrophobicContact CH2-CD2 3.31Å; W490-L559 HydrophobicContact CZ2-CD2 3.38Å; W490-L559 HydrophobicContact CZ3-CD2 3.87Å | ||
| 491 | T | 92.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | trans | -81.6 | 161.2 | 165.2 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | E433 R493 L494 R495 | E433-T491 WeakPolarHBondContact OE1-CB 3.27Å; E433-T491 PolarHBondContact OE1-OG1 3.13Å; T491-R493 VanDerWaalsContact C-N 3.31Å; T491-R493 PolarHBondContact O-N 3.27Å; T491-L494 PolarHBondContact O-N 3.01Å; T491-L494 WeakPolarHBondContact OG1-CB 3.28Å; T491-L494 PolarHBondContact OG1-N 2.83Å; T491-R495 WeakPolarHBondContact O-CG 3.48Å; T491-R495 PolarHBondContact O-N 2.93Å; T491-R495 PolarHBondContact O-NH1 3.07Å | ||
| 492 | E | 93.4 | Very high | 92.9 | Very high | 121 Ų | 121 | 48.7 Ų | 48.7 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.6 | -38 | 175.7 | -170.7 | 57.4 | -161.5 | 0 | 0 | 112 | R495 M496 | E492-R495 PolarHBondContact O-N 3.28Å; E492-R495 IonicContact OE2-NH1 2.75Å; E492-M496 HydrophobicContact CG-CE 4.34Å; E492-M496 WeakPolarHBondContact O-CG 3.42Å; E492-M496 PolarHBondContact O-N 3.24Å |
| 493 | R | 95.1 | Very high | 93 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 175.4 | -170.8 | 175.9 | 177.7 | 178.6 | 0.5 | 111.1 | E433 E434 T491 R495 M496 Q497 | E433-R493 HydrophobicContact CG-CB 4.04Å; E433-R493 HydrophobicContact CG-CG 3.82Å; E433-R493 PolarHBondContact O-NE 2.87Å; E433-R493 PolarHBondContact O-NH2 2.96Å; E434-R493 VanDerWaalsContact CD-CZ 3.4Å; E434-R493 IonicContact OE1-CZ 3.93Å; E434-R493 IonicContact OE1-NE 3.66Å; E434-R493 IonicContact OE1-NH1 3.69Å; E434-R493 PolarHBondContact OE1-NH1 3.08Å; E434-R493 IonicContact OE1-NH2 2.77Å; E434-R493 IonicContact OE2-CZ 2.73Å; E434-R493 IonicContact OE2-NH1 2.65Å; E434-R493 PolarHBondContact OE2-NH1 3.45Å; E434-R493 IonicContact OE2-NH2 3.43Å; E434-R493 PolarHBondContact OE2-NH2 3.12Å; T491-R493 VanDerWaalsContact C-N 3.31Å; T491-R493 PolarHBondContact O-N 3.27Å; R493-R495 VanDerWaalsContact C-N 3.34Å; R493-R495 PolarHBondContact O-N 2.97Å; R493-M496 PolarHBondContact O-N 3.21Å; R493-Q497 HydrophobicContact CG-CG 4.29Å; R493-Q497 VanDerWaalsContact O-CG 3.3Å; R493-Q497 WeakPolarHBondContact O-CG 3.41Å; R493-Q497 PolarHBondContact O-N 3.45Å |
| 494 | L | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 177 | -175.2 | 64.8 | 0 | 0 | 0 | 112.2 | I432 E433 P487 W490 T491 F498 | I432-L494 HydrophobicContact CB-CD1 3.91Å; I432-L494 HydrophobicContact CG2-CD1 3.62Å; E433-L494 HydrophobicContact CB-CD1 4.37Å; P487-L494 HydrophobicContact CB-CD2 3.88Å; P487-L494 HydrophobicContact CG-CD2 4.19Å; W490-L494 HydrophobicContact CD2-CD2 4.43Å; W490-L494 HydrophobicContact CE3-CB 4.26Å; W490-L494 HydrophobicContact CE3-CD2 3.88Å; W490-L494 HydrophobicContact CE3-CG 3.79Å; W490-L494 HydrophobicContact CZ3-CD2 4.22Å; W490-L494 HydrophobicContact CZ3-CG 3.84Å; T491-L494 PolarHBondContact O-N 3.01Å; T491-L494 WeakPolarHBondContact OG1-CB 3.28Å; T491-L494 PolarHBondContact OG1-N 2.83Å; L494-F498 VanDerWaalsContact O-CB 3.26Å; L494-F498 WeakPolarHBondContact O-CB 3.45Å; L494-F498 PolarHBondContact O-N 3.24Å |
| 495 | R | 95.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 173.6 | -72.9 | -175.5 | -171.9 | 81 | 3.8 | 111.8 | W490 T491 E492 R493 L499 D556 | W490-R495 HydrophobicContact CB-CG 4.31Å; W490-R495 VanDerWaalsContact CB-CZ 3.46Å; W490-R495 VanDerWaalsContact CB-NH2 3.29Å; W490-R495 HydrophobicContact CD2-CG 4.28Å; W490-R495 HydrophobicContact CE3-CB 4.42Å; W490-R495 HydrophobicContact CE3-CG 3.66Å; W490-R495 HydrophobicContact CZ3-CG 4.32Å; W490-R495 PolarHBondContact O-NH1 2.74Å; W490-R495 PolarHBondContact O-NH2 2.94Å; T491-R495 WeakPolarHBondContact O-CG 3.48Å; T491-R495 PolarHBondContact O-N 2.93Å; T491-R495 PolarHBondContact O-NH1 3.07Å; E492-R495 PolarHBondContact O-N 3.28Å; E492-R495 IonicContact OE2-NH1 2.75Å; R493-R495 VanDerWaalsContact C-N 3.34Å; R493-R495 PolarHBondContact O-N 2.97Å; R495-L499 WeakPolarHBondContact O-CB 3.03Å; R495-L499 WeakPolarHBondContact O-CG 3.32Å; R495-L499 PolarHBondContact O-N 3.22Å; R495-D556 IonicContact CZ-OD2 3.49Å; R495-D556 IonicContact NE-OD1 2.83Å; R495-D556 IonicContact NE-OD2 3.51Å; R495-D556 PolarHBondContact NE-OD2 3.48Å; R495-D556 IonicContact NH2-OD2 3.27Å; R495-D556 PolarHBondContact NH2-OD2 3.37Å |
| 496 | M | 95.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 51.9 Ų | 51.9 | 49% | 0.488 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -49.4 | -179.6 | -71.8 | -172 | -66.1 | 0 | 0 | 112.4 | E492 R493 L499 E500 | E492-M496 HydrophobicContact CG-CE 4.34Å; E492-M496 WeakPolarHBondContact O-CG 3.42Å; E492-M496 PolarHBondContact O-N 3.24Å; R493-M496 PolarHBondContact O-N 3.21Å; M496-L499 PolarHBondContact O-N 3.49Å; M496-E500 PolarHBondContact O-N 2.89Å |
| 497 | Q | 96.6 | Very high | 94.7 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | -178.7 | -60 | -59.8 | -28.3 | 0 | 0 | 111.5 | I432 N436 R493 L499 E500 G501 | I432-Q497 HydrophobicContact CG2-CB 4.27Å; I432-Q497 VanDerWaalsContact O-CB 3.28Å; I432-Q497 WeakPolarHBondContact O-CB 3.22Å; I432-Q497 WeakPolarHBondContact O-CG 3.46Å; N436-Q497 PolarHBondContact ND2-OE1 3.25Å; N436-Q497 PolarHBondContact OD1-O 3.21Å; N436-Q497 PolarHBondContact OD1-OE1 2.98Å; R493-Q497 HydrophobicContact CG-CG 4.29Å; R493-Q497 VanDerWaalsContact O-CG 3.3Å; R493-Q497 WeakPolarHBondContact O-CG 3.41Å; R493-Q497 PolarHBondContact O-N 3.45Å; Q497-L499 PolarHBondContact O-N 3.08Å; Q497-E500 PolarHBondContact O-N 3.14Å; Q497-G501 PolarHBondContact O-N 2.99Å |
| 498 | F | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.5 | 172.8 | -92 | 0 | 0 | 0 | 112.3 | I438 L483 W490 L494 E500 G501 F502 F549 W552 L559 | I438-F498 HydrophobicContact CD1-CD2 3.86Å; L483-F498 HydrophobicContact CD2-CE2 4.29Å; W490-F498 HydrophobicContact CH2-CB 4.21Å; W490-F498 AromaticContact CH2-CD1 3.97Å; W490-F498 HydrophobicContact CH2-CD1 3.97Å; W490-F498 HydrophobicContact CH2-CD2 4.36Å; W490-F498 HydrophobicContact CH2-CE1 4.46Å; W490-F498 AromaticContact CH2-CG 3.91Å; W490-F498 HydrophobicContact CH2-CG 3.91Å; W490-F498 HydrophobicContact CZ3-CB 4.01Å; W490-F498 HydrophobicContact CZ3-CD1 4.39Å; W490-F498 HydrophobicContact CZ3-CG 4.22Å; L494-F498 VanDerWaalsContact O-CB 3.26Å; L494-F498 WeakPolarHBondContact O-CB 3.45Å; L494-F498 PolarHBondContact O-N 3.24Å; F498-E500 VanDerWaalsContact C-N 3.34Å; F498-E500 PolarHBondContact O-N 3.43Å; F498-G501 PolarHBondContact O-N 3.08Å; F498-F502 WeakPolarHBondContact O-CB 3.49Å; F498-F502 PolarHBondContact O-N 2.96Å; F498-F549 AromaticContact CE2-CD1 3.75Å; F498-F549 HydrophobicContact CE2-CD1 3.75Å; F498-F549 AromaticContact CE2-CE1 3.91Å; F498-F549 HydrophobicContact CE2-CE1 3.91Å; F498-F549 AromaticContact CZ-CD1 3.76Å; F498-F549 HydrophobicContact CZ-CD1 3.76Å; F498-F549 HydrophobicContact CZ-CE1 4.27Å; F498-W552 HydrophobicContact CD2-CD2 4.28Å; F498-W552 AromaticContact CD2-CE3 3.45Å; F498-W552 HydrophobicContact CD2-CE3 3.45Å; F498-W552 VanDerWaalsContact CD2-CE3 3.45Å; F498-W552 AromaticContact CD2-CZ3 3.95Å; F498-W552 HydrophobicContact CD2-CZ3 3.95Å; F498-W552 HydrophobicContact CE1-CB 4.5Å; F498-W552 HydrophobicContact CE2-CB 3.63Å; F498-W552 AromaticContact CE2-CD2 3.86Å; F498-W552 HydrophobicContact CE2-CD2 3.86Å; F498-W552 AromaticContact CE2-CE3 3.48Å; F498-W552 HydrophobicContact CE2-CE3 3.48Å; F498-W552 VanDerWaalsContact CE2-CE3 3.48Å; F498-W552 AromaticContact CE2-CG 3.97Å; F498-W552 HydrophobicContact CE2-CG 3.97Å; F498-W552 HydrophobicContact CE2-CZ3 4.36Å; F498-W552 HydrophobicContact CG-CE3 4.31Å; F498-W552 HydrophobicContact CZ-CB 3.53Å; F498-W552 HydrophobicContact CZ-CE3 4.36Å; F498-W552 HydrophobicContact CZ-CG 4.37Å; F498-L559 HydrophobicContact CD1-CD1 3.73Å; F498-L559 HydrophobicContact CD1-CD2 3.95Å; F498-L559 HydrophobicContact CD1-CG 4.36Å; F498-L559 HydrophobicContact CE1-CD1 4Å; F498-L559 HydrophobicContact CE1-CD2 3.9Å; F498-L559 HydrophobicContact CE1-CG 4.27Å |
| 499 | L | 97.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -34.4 | 176.3 | -82.5 | 172.3 | 0 | 0 | 0 | 113 | R495 M496 Q497 R503 L559 V562 A563 | R495-L499 WeakPolarHBondContact O-CB 3.03Å; R495-L499 WeakPolarHBondContact O-CG 3.32Å; R495-L499 PolarHBondContact O-N 3.22Å; M496-L499 PolarHBondContact O-N 3.49Å; Q497-L499 PolarHBondContact O-N 3.08Å; L499-R503 WeakPolarHBondContact O-CB 3.43Å; L499-R503 WeakPolarHBondContact O-CG 3.1Å; L499-R503 PolarHBondContact O-N 3.25Å; L499-L559 HydrophobicContact CD1-CD1 3.92Å; L499-L559 HydrophobicContact CD2-CD1 3.55Å; L499-L559 HydrophobicContact CG-CD1 3.43Å; L499-L559 VanDerWaalsContact CG-CD1 3.43Å; L499-V562 HydrophobicContact CD1-CB 4.36Å; L499-V562 HydrophobicContact CD1-CG1 3.8Å; L499-V562 HydrophobicContact CD2-CB 4.37Å; L499-V562 HydrophobicContact CD2-CG1 3.89Å; L499-A563 HydrophobicContact CD2-CB 4.42Å |
| 500 | E | 97.4 | Very high | 96.1 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.8 | -49.4 | 173.7 | -170.3 | 167.9 | -149.2 | 0 | 0 | 111.1 | N436 M496 Q497 F498 F502 R503 S504 | N436-E500 PolarHBondContact ND2-OE2 3.38Å; M496-E500 PolarHBondContact O-N 2.89Å; Q497-E500 PolarHBondContact O-N 3.14Å; F498-E500 VanDerWaalsContact C-N 3.34Å; F498-E500 PolarHBondContact O-N 3.43Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 3.35Å; E500-R503 WeakPolarHBondContact O-CB 3.41Å; E500-R503 PolarHBondContact O-N 3.15Å; E500-R503 VanDerWaalsContact O-N 3.1Å; E500-S504 PolarHBondContact O-N 3.19Å |
| 501 | G | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S439 Q497 F498 S504 F505 | S439-G501 VanDerWaalsContact OG-CA 3.24Å; S439-G501 WeakPolarHBondContact OG-CA 3.39Å; S439-G501 PolarHBondContact OG-N 2.94Å; S439-G501 VanDerWaalsContact OG-N 3.07Å; Q497-G501 PolarHBondContact O-N 2.99Å; F498-G501 PolarHBondContact O-N 3.08Å; G501-S504 PolarHBondContact O-N 3.41Å; G501-F505 WeakPolarHBondContact O-CB 3.42Å; G501-F505 PolarHBondContact O-N 3.39Å |
| 502 | F | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 173.8 | -177.8 | -113.3 | 0 | 0 | 0 | 112.1 | F498 E500 S504 F505 L506 F549 A563 L618 | F498-F502 WeakPolarHBondContact O-CB 3.49Å; F498-F502 PolarHBondContact O-N 2.96Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 3.35Å; F502-S504 VanDerWaalsContact C-N 3.33Å; F502-S504 PolarHBondContact O-N 2.74Å; F502-F505 HydrophobicContact CD2-CD1 4.45Å; F502-F505 WeakPolarHBondContact O-CB 3.37Å; F502-F505 PolarHBondContact O-N 2.81Å; F502-L506 HydrophobicContact CD1-CD1 4.07Å; F502-L506 HydrophobicContact CD1-CG 4.4Å; F502-L506 HydrophobicContact CE1-CD1 3.67Å; F502-L506 HydrophobicContact CE1-CD2 4.26Å; F502-L506 HydrophobicContact CE1-CG 4.05Å; F502-L506 HydrophobicContact CE2-CD2 4.25Å; F502-L506 HydrophobicContact CE2-CG 4.4Å; F502-L506 HydrophobicContact CZ-CD1 4.12Å; F502-L506 HydrophobicContact CZ-CD2 3.84Å; F502-L506 HydrophobicContact CZ-CG 4.06Å; F502-L506 WeakPolarHBondContact O-CG 3.28Å; F502-L506 PolarHBondContact O-N 2.95Å; F502-F549 HydrophobicContact CB-CD1 4.41Å; F502-F549 HydrophobicContact CB-CE1 4.19Å; F502-F549 HydrophobicContact CD2-CB 4.23Å; F502-F549 AromaticContact CD2-CD1 3.57Å; F502-F549 HydrophobicContact CD2-CD1 3.57Å; F502-F549 AromaticContact CD2-CE1 3.99Å; F502-F549 HydrophobicContact CD2-CE1 3.99Å; F502-F549 AromaticContact CD2-CG 3.93Å; F502-F549 HydrophobicContact CD2-CG 3.93Å; F502-F549 HydrophobicContact CE2-CB 4.16Å; F502-F549 HydrophobicContact CE2-CD1 4.34Å; F502-F549 HydrophobicContact CE2-CG 4.3Å; F502-F549 HydrophobicContact CG-CD1 4.41Å; F502-A563 HydrophobicContact CD1-CB 4.01Å; F502-A563 HydrophobicContact CE1-CB 3.68Å; F502-A563 HydrophobicContact CZ-CB 4.42Å; F502-L618 HydrophobicContact CZ-CD1 4.17Å |
| 503 | R | 98.1 | Very high | 96.4 | Very high | 101 Ų | 101 | 32.5 Ų | 32.5 | 38% | 0.381 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 173.9 | -73.5 | 166.7 | -170.6 | 135.7 | 3.5 | 112.2 | L499 E500 L506 K507 E566 | L499-R503 WeakPolarHBondContact O-CB 3.43Å; L499-R503 WeakPolarHBondContact O-CG 3.1Å; L499-R503 PolarHBondContact O-N 3.25Å; E500-R503 WeakPolarHBondContact O-CB 3.41Å; E500-R503 PolarHBondContact O-N 3.15Å; E500-R503 VanDerWaalsContact O-N 3.1Å; R503-L506 PolarHBondContact O-N 2.86Å; R503-K507 PolarHBondContact O-N 3.48Å; R503-E566 HydrophobicContact CG-CB 4.38Å; R503-E566 HydrophobicContact CG-CG 4.22Å |
| 504 | S | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | 174 | -79.9 | 0 | 0 | 0 | 0 | 111.9 | T442 E500 G501 F502 L506 K507 | T442-S504 VanDerWaalsContact OG1-CB 3.22Å; T442-S504 WeakPolarHBondContact OG1-CB 3.48Å; E500-S504 PolarHBondContact O-N 3.19Å; G501-S504 PolarHBondContact O-N 3.41Å; F502-S504 VanDerWaalsContact C-N 3.33Å; F502-S504 PolarHBondContact O-N 2.74Å; S504-L506 PolarHBondContact O-N 2.69Å; S504-K507 VanDerWaalsContact O-CB 3.27Å; S504-K507 WeakPolarHBondContact O-CB 3.41Å; S504-K507 PolarHBondContact O-N 2.57Å; S504-K507 VanDerWaalsContact O-N 3.07Å; S504-K507 PolarHBondContact OG-NZ 3.46Å |
| 505 | F | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 170.9 | -176.8 | -117 | 0 | 0 | 0 | 113.1 | T442 L479 G501 F502 K507 I508 L509 L542 I545 L546 F549 | T442-F505 HydrophobicContact CG2-CB 3.98Å; T442-F505 HydrophobicContact CG2-CD2 4.35Å; L479-F505 HydrophobicContact CD2-CD2 3.88Å; L479-F505 HydrophobicContact CD2-CE2 4.07Å; G501-F505 WeakPolarHBondContact O-CB 3.42Å; G501-F505 PolarHBondContact O-N 3.39Å; F502-F505 HydrophobicContact CD2-CD1 4.45Å; F502-F505 WeakPolarHBondContact O-CB 3.37Å; F502-F505 PolarHBondContact O-N 2.81Å; F505-K507 PolarHBondContact O-N 3.29Å; F505-I508 HydrophobicContact CD2-CD1 4.35Å; F505-I508 WeakPolarHBondContact O-CB 3.44Å; F505-I508 PolarHBondContact O-N 3.04Å; F505-L509 HydrophobicContact CD1-CD1 4.2Å; F505-L509 HydrophobicContact CD1-CG 4.34Å; F505-L509 HydrophobicContact CE1-CD1 3.73Å; F505-L509 HydrophobicContact CE1-CD2 4.17Å; F505-L509 HydrophobicContact CE1-CG 4.01Å; F505-L509 HydrophobicContact CE2-CD2 4.26Å; F505-L509 HydrophobicContact CZ-CD1 4.25Å; F505-L509 HydrophobicContact CZ-CD2 3.83Å; F505-L509 HydrophobicContact CZ-CG 4.15Å; F505-L509 PolarHBondContact O-N 2.88Å; F505-L509 VanDerWaalsContact O-N 3.11Å; F505-L542 HydrophobicContact CE2-CD2 3.92Å; F505-L542 HydrophobicContact CZ-CD2 4.31Å; F505-I545 HydrophobicContact CE1-CG2 4.41Å; F505-I545 HydrophobicContact CE2-CG2 3.91Å; F505-I545 HydrophobicContact CZ-CG2 3.74Å; F505-L546 HydrophobicContact CE1-CD2 3.91Å; F505-L546 HydrophobicContact CZ-CD2 3.89Å; F505-F549 HydrophobicContact CB-CE2 4Å; F505-F549 HydrophobicContact CB-CZ 3.98Å; F505-F549 AromaticContact CD1-CD2 3.47Å; F505-F549 HydrophobicContact CD1-CD2 3.47Å; F505-F549 VanDerWaalsContact CD1-CD2 3.47Å; F505-F549 AromaticContact CD1-CE2 3.35Å; F505-F549 HydrophobicContact CD1-CE2 3.35Å; F505-F549 HydrophobicContact CD1-CG 4.28Å; F505-F549 HydrophobicContact CD1-CZ 4.08Å; F505-F549 AromaticContact CD2-CE2 3.87Å; F505-F549 HydrophobicContact CD2-CE2 3.87Å; F505-F549 AromaticContact CE1-CD2 3.45Å; F505-F549 HydrophobicContact CE1-CD2 3.45Å; F505-F549 VanDerWaalsContact CE1-CD2 3.45Å; F505-F549 AromaticContact CE1-CE2 3.66Å; F505-F549 HydrophobicContact CE1-CE2 3.66Å; F505-F549 HydrophobicContact CE1-CG 4.41Å; F505-F549 HydrophobicContact CE2-CE2 4.16Å; F505-F549 HydrophobicContact CG-CD2 4.09Å; F505-F549 AromaticContact CG-CE2 3.46Å; F505-F549 HydrophobicContact CG-CE2 3.46Å; F505-F549 VanDerWaalsContact CG-CE2 3.46Å; F505-F549 AromaticContact CG-CZ 3.97Å; F505-F549 HydrophobicContact CG-CZ 3.97Å; F505-F549 HydrophobicContact CZ-CD2 4.07Å; F505-F549 HydrophobicContact CZ-CE2 4.07Å |
| 506 | L | 98 | Very high | 95.9 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -24.3 | 174.7 | -69.4 | 175.4 | 0 | 0 | 0 | 113.2 | F502 R503 S504 L509 T510 E566 C567 L611 | F502-L506 HydrophobicContact CD1-CD1 4.07Å; F502-L506 HydrophobicContact CD1-CG 4.4Å; F502-L506 HydrophobicContact CE1-CD1 3.67Å; F502-L506 HydrophobicContact CE1-CD2 4.26Å; F502-L506 HydrophobicContact CE1-CG 4.05Å; F502-L506 HydrophobicContact CE2-CD2 4.25Å; F502-L506 HydrophobicContact CE2-CG 4.4Å; F502-L506 HydrophobicContact CZ-CD1 4.12Å; F502-L506 HydrophobicContact CZ-CD2 3.84Å; F502-L506 HydrophobicContact CZ-CG 4.06Å; F502-L506 WeakPolarHBondContact O-CG 3.28Å; F502-L506 PolarHBondContact O-N 2.95Å; R503-L506 PolarHBondContact O-N 2.86Å; S504-L506 PolarHBondContact O-N 2.69Å; L506-L509 HydrophobicContact CD2-CD1 4.42Å; L506-T510 WeakPolarHBondContact O-CB 3.36Å; L506-T510 PolarHBondContact O-N 3.26Å; L506-T510 PolarHBondContact O-OG1 2.76Å; L506-E566 HydrophobicContact CD1-CB 4.05Å; L506-C567 HydrophobicContact CD1-CB 4.33Å; L506-C567 HydrophobicContact CD2-CB 4.16Å; L506-L611 HydrophobicContact CD2-CD1 3.55Å |
| 507 | K | 96.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 26 Ų | 26 | 43% | 0.426 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 171.7 | -56.8 | 165.1 | -170.2 | 158.4 | 0 | 110.7 | L446 R503 S504 F505 T510 C511 | L446-K507 HydrophobicContact CD1-CB 4.01Å; L446-K507 HydrophobicContact CD1-CD 3.67Å; L446-K507 HydrophobicContact CD1-CG 4.48Å; L446-K507 HydrophobicContact CD2-CB 3.88Å; R503-K507 PolarHBondContact O-N 3.48Å; S504-K507 VanDerWaalsContact O-CB 3.27Å; S504-K507 WeakPolarHBondContact O-CB 3.41Å; S504-K507 PolarHBondContact O-N 2.57Å; S504-K507 VanDerWaalsContact O-N 3.07Å; S504-K507 PolarHBondContact OG-NZ 3.46Å; F505-K507 PolarHBondContact O-N 3.29Å; K507-T510 VanDerWaalsContact O-CB 3.28Å; K507-T510 WeakPolarHBondContact O-CB 3.46Å; K507-T510 PolarHBondContact O-N 2.79Å; K507-T510 VanDerWaalsContact O-N 3.15Å; K507-C511 PolarHBondContact O-N 3.4Å |
| 508 | I | 95.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.4 | -55.1 | 172.2 | 0 | 0 | 0 | 109.9 | T442 L445 L446 L449 F459 F505 T510 C511 M512 | T442-I508 HydrophobicContact CG2-CD1 4.37Å; L445-I508 HydrophobicContact CB-CD1 3.73Å; L445-I508 HydrophobicContact CD1-CD1 3.82Å; L445-I508 HydrophobicContact CG-CD1 4.43Å; L446-I508 HydrophobicContact CD1-CG1 4.48Å; L446-I508 HydrophobicContact CD2-CG1 3.64Å; L446-I508 HydrophobicContact CG-CD1 4.42Å; L446-I508 HydrophobicContact CG-CG1 3.79Å; L449-I508 HydrophobicContact CD1-CG2 4.05Å; F459-I508 HydrophobicContact CE2-CG2 4.49Å; F505-I508 HydrophobicContact CD2-CD1 4.35Å; F505-I508 WeakPolarHBondContact O-CB 3.44Å; F505-I508 PolarHBondContact O-N 3.04Å; I508-T510 PolarHBondContact O-N 3.24Å; I508-C511 WeakPolarHBondContact O-CB 3.41Å; I508-C511 PolarHBondContact O-N 3.42Å; I508-C511 VanDerWaalsContact O-N 3.08Å; I508-M512 PolarHBondContact O-N 3.27Å; I508-M512 VanDerWaalsContact O-N 3.14Å |
| 509 | L | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -27 | 176.3 | -58 | -167.4 | 0 | 0 | 0 | 113 | F505 L506 M512 Q513 L542 L546 P610 L611 T614 | F505-L509 HydrophobicContact CD1-CD1 4.2Å; F505-L509 HydrophobicContact CD1-CG 4.34Å; F505-L509 HydrophobicContact CE1-CD1 3.73Å; F505-L509 HydrophobicContact CE1-CD2 4.17Å; F505-L509 HydrophobicContact CE1-CG 4.01Å; F505-L509 HydrophobicContact CE2-CD2 4.26Å; F505-L509 HydrophobicContact CZ-CD1 4.25Å; F505-L509 HydrophobicContact CZ-CD2 3.83Å; F505-L509 HydrophobicContact CZ-CG 4.15Å; F505-L509 PolarHBondContact O-N 2.88Å; F505-L509 VanDerWaalsContact O-N 3.11Å; L506-L509 HydrophobicContact CD2-CD1 4.42Å; L509-M512 HydrophobicContact CD2-SD 4.01Å; L509-M512 PolarHBondContact O-N 2.96Å; L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.8Å; L509-L542 HydrophobicContact CD2-CD1 4.47Å; L509-L546 HydrophobicContact CD1-CD2 3.68Å; L509-L546 HydrophobicContact CD2-CD2 3.96Å; L509-L546 HydrophobicContact CG-CD2 4.47Å; L509-P610 HydrophobicContact CD2-CB 4.24Å; L509-P610 HydrophobicContact CD2-CG 4.35Å; L509-L611 HydrophobicContact CB-CB 4.12Å; L509-L611 HydrophobicContact CB-CD1 3.98Å; L509-L611 HydrophobicContact CD1-CD1 4.43Å; L509-T614 WeakPolarHBondContact CD1-OG1 3.39Å |
| 510 | T | 95.7 | Very high | 95 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 28% | 0.282 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 173.1 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | K458 L506 K507 I508 | K458-T510 PolarHBondContact NZ-O 2.82Å; L506-T510 WeakPolarHBondContact O-CB 3.36Å; L506-T510 PolarHBondContact O-N 3.26Å; L506-T510 PolarHBondContact O-OG1 2.76Å; K507-T510 VanDerWaalsContact O-CB 3.28Å; K507-T510 WeakPolarHBondContact O-CB 3.46Å; K507-T510 PolarHBondContact O-N 2.79Å; K507-T510 VanDerWaalsContact O-N 3.15Å; I508-T510 PolarHBondContact O-N 3.24Å |
| 511 | C | 94.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.122 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.8 | -31.9 | 171.9 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | L453 N457 K458 F459 K507 I508 | L453-C511 HydrophobicContact CD2-CB 3.85Å; N457-C511 WeakPolarHBondContact O-CA 3.47Å; N457-C511 PolarHBondContact O-SG 2.85Å; N457-C511 VanDerWaalsContact O-SG 3.38Å; K458-C511 WeakPolarHBondContact CA-O 3.42Å; K458-C511 WeakPolarHBondContact CD-O 3.4Å; F459-C511 HydrophobicContact CD2-CB 4.08Å; F459-C511 HydrophobicContact CE1-CB 4.33Å; F459-C511 HydrophobicContact CE2-CB 3.62Å; F459-C511 HydrophobicContact CZ-CB 3.74Å; F459-C511 PolarHBondContact N-O 2.98Å; K507-C511 PolarHBondContact O-N 3.4Å; I508-C511 WeakPolarHBondContact O-CB 3.41Å; I508-C511 PolarHBondContact O-N 3.42Å; I508-C511 VanDerWaalsContact O-N 3.08Å |
| 512 | M | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -78.6 | -30 | 175.8 | -62.4 | -178 | 77.2 | 0 | 0 | 114.6 | F459 I508 L509 G514 M515 I538 L542 P610 | F459-M512 HydrophobicContact CD2-CB 4.44Å; F459-M512 HydrophobicContact CD2-CG 3.63Å; F459-M512 HydrophobicContact CE2-CG 3.63Å; I508-M512 PolarHBondContact O-N 3.27Å; I508-M512 VanDerWaalsContact O-N 3.14Å; L509-M512 HydrophobicContact CD2-SD 4.01Å; L509-M512 PolarHBondContact O-N 2.96Å; M512-G514 PolarHBondContact O-N 3.39Å; M512-M515 HydrophobicContact CB-SD 3.87Å; M512-M515 HydrophobicContact CE-CE 3.81Å; M512-M515 HydrophobicContact CE-SD 4.3Å; M512-M515 HydrophobicContact CG-SD 3.97Å; M512-M515 WeakPolarHBondContact O-CB 3.32Å; M512-M515 VanDerWaalsContact O-CG 3.26Å; M512-M515 WeakPolarHBondContact O-CG 3.37Å; M512-M515 PolarHBondContact O-N 3.47Å; M512-I538 HydrophobicContact CE-CG2 3.82Å; M512-I538 HydrophobicContact SD-CG2 4.32Å; M512-L542 HydrophobicContact CE-CD1 3.85Å; M512-L542 HydrophobicContact SD-CD1 3.29Å; M512-L542 WeakPolarHBondContact SD-CD1 3.3Å; M512-P610 HydrophobicContact CB-CG 3.47Å; M512-P610 VanDerWaalsContact CB-CG 3.47Å; M512-P610 HydrophobicContact CE-CG 4.15Å; M512-P610 HydrophobicContact CG-CG 4.35Å; M512-P610 HydrophobicContact SD-CG 3.99Å |
| 513 | Q | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 103.7 | -174.1 | 177.9 | 68.1 | 28.9 | 0 | 0 | 111 | K458 L509 C574 L609 L611 S612 | K458-Q513 WeakPolarHBondContact CE-O 3.18Å; K458-Q513 PolarHBondContact NZ-O 3.38Å; L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.8Å; Q513-C574 HydrophobicContact CG-CB 3.96Å; Q513-L609 VanDerWaalsContact OE1-CA 3.32Å; Q513-L609 PolarHBondContact OE1-O 3.33Å; Q513-L611 HydrophobicContact CB-CB 3.95Å; Q513-L611 HydrophobicContact CB-CD2 4.3Å; Q513-L611 HydrophobicContact CG-CB 4.17Å; Q513-L611 HydrophobicContact CG-CD2 4.42Å; Q513-S612 PolarHBondContact NE2-OG 3.42Å; Q513-S612 VanDerWaalsContact OE1-N 3.12Å |
| 514 | G | 92.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 35.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M512 E517 H608 | M512-G514 PolarHBondContact O-N 3.39Å; G514-E517 VanDerWaalsContact O-CG 3.3Å; G514-E517 WeakPolarHBondContact O-CG 3.18Å; G514-H608 PolarHBondContact N-O 3Å |
| 515 | M | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -75.7 | 156.3 | 166.9 | 72.6 | -173.6 | -171.8 | 0 | 0 | 111.3 | K458 F459 M512 E517 A535 S606 H608 | K458-M515 HydrophobicContact CB-CB 4.49Å; F459-M515 HydrophobicContact CB-CB 4.07Å; F459-M515 HydrophobicContact CB-CG 4.49Å; F459-M515 HydrophobicContact CB-SD 3.75Å; F459-M515 HydrophobicContact CD2-SD 3.91Å; F459-M515 HydrophobicContact CG-SD 4.32Å; F459-M515 WeakPolarHBondContact O-CB 3.31Å; M512-M515 HydrophobicContact CB-SD 3.87Å; M512-M515 HydrophobicContact CE-CE 3.81Å; M512-M515 HydrophobicContact CE-SD 4.3Å; M512-M515 HydrophobicContact CG-SD 3.97Å; M512-M515 WeakPolarHBondContact O-CB 3.32Å; M512-M515 VanDerWaalsContact O-CG 3.26Å; M512-M515 WeakPolarHBondContact O-CG 3.37Å; M512-M515 PolarHBondContact O-N 3.47Å; M515-E517 PolarHBondContact O-N 2.86Å; M515-A535 HydrophobicContact CE-CB 3.76Å; M515-S606 VanDerWaalsContact O-CB 3.29Å; M515-S606 WeakPolarHBondContact O-CB 3.49Å; M515-S606 PolarHBondContact O-OG 2.94Å; M515-H608 HydrophobicContact CE-CB 3.77Å; M515-H608 VanDerWaalsContact CE-CG 3.48Å; M515-H608 VanDerWaalsContact CE-ND1 3.3Å; M515-H608 WeakPolarHBondContact CE-ND1 3.35Å; M515-H608 HydrophobicContact CG-CB 3.58Å; M515-H608 HydrophobicContact SD-CB 4.38Å | ||
| 516 | E | 89.4 | Confident | 90.9 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 49.6 | 49.9 | 179.6 | -56.3 | -164.9 | 155.4 | 0 | 0 | 114.1 | F459 F461 I518 A535 | F459-E516 PolarHBondContact O-N 3.4Å; F461-E516 WeakPolarHBondContact CD2-OE1 3.28Å; F461-E516 PolarHBondContact N-OE1 3.05Å; E516-I518 PolarHBondContact O-N 2.95Å; E516-A535 HydrophobicContact CG-CB 4.5Å; E516-A535 WeakPolarHBondContact OE2-CB 3.36Å |
| 517 | E | 90.6 | Very high | 89.9 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | trans | -65.2 | 128.2 | 178.1 | -56.6 | -168.3 | 122.6 | 0 | 0 | 112.2 | G514 M515 L604 V605 | G514-E517 VanDerWaalsContact O-CG 3.3Å; G514-E517 WeakPolarHBondContact O-CG 3.18Å; M515-E517 PolarHBondContact O-N 2.86Å; E517-L604 HydrophobicContact CB-CB 4Å; E517-L604 HydrophobicContact CB-CD2 4Å; E517-L604 HydrophobicContact CB-CG 4.45Å; E517-V605 CarbonylContact C-O 3.57Å; E517-V605 WeakPolarHBondContact CA-O 3.18Å | ||
| 518 | I | 91.2 | Very high | 89 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 152.5 | 178.9 | 61.6 | 175.1 | 0 | 0 | 0 | 111.3 | E516 L604 V605 L655 W664 L671 | E516-I518 PolarHBondContact O-N 2.95Å; I518-L604 WeakPolarHBondContact O-CA 3.25Å; I518-V605 HydrophobicContact CG1-CG1 3.96Å; I518-V605 WeakPolarHBondContact CG1-O 3.3Å; I518-V605 PolarHBondContact N-O 3.2Å; I518-V605 PolarHBondContact O-N 3.23Å; I518-L655 HydrophobicContact CD1-CD1 4.21Å; I518-L655 HydrophobicContact CD1-CD2 4.07Å; I518-W664 HydrophobicContact CD1-CE3 4.4Å; I518-W664 HydrophobicContact CD1-CZ3 3.89Å; I518-W664 HydrophobicContact CG1-CH2 4.43Å; I518-W664 HydrophobicContact CG1-CZ3 4.02Å; I518-L671 HydrophobicContact CD1-CD1 3.32Å; I518-L671 HydrophobicContact CD1-CD2 4.01Å; I518-L671 HydrophobicContact CD1-CG 4.22Å |
| 519 | R | 92.4 | Very high | 88.1 | Confident | 145 Ų | 145 | 64.1 Ų | 64.1 | 55% | 0.547 | 33% | 0.329 | S | S | . | . | trans | -123.7 | 139.7 | 172.6 | -162.5 | 176.9 | -170.5 | -176.7 | 4.8 | 110.8 | Q521 E602 L604 N667 | R519-Q521 PolarHBondContact O-N 3.06Å; R519-Q521 PolarHBondContact O-NE2 3.02Å; R519-E602 PolarHBondContact NE-O 3.08Å; R519-E602 PolarHBondContact NH2-O 3.38Å; R519-L604 HydrophobicContact CB-CD2 3.99Å; R519-N667 PolarHBondContact O-ND2 2.67Å | ||
| 520 | R | 93.3 | Very high | 87.2 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | trans | -63.1 | 131.1 | -179.6 | -170.6 | -170.9 | 172.4 | -153 | 0.3 | 112 | V522 S601 M663 W664 | R520-V522 HydrophobicContact CG-CG2 4.42Å; R520-S601 WeakPolarHBondContact CD-O 2.99Å; R520-M663 PolarHBondContact NE-O 2.78Å; R520-M663 PolarHBondContact NH2-O 3.43Å; R520-M663 VanDerWaalsContact NH2-O 3.13Å; R520-W664 VanDerWaalsContact CA-CZ3 3.41Å; R520-W664 HydrophobicContact CB-CD2 4.04Å; R520-W664 HydrophobicContact CB-CE3 3.91Å; R520-W664 HydrophobicContact CB-CH2 3.73Å; R520-W664 HydrophobicContact CB-CZ2 3.84Å; R520-W664 HydrophobicContact CB-CZ3 3.76Å; R520-W664 HydrophobicContact CG-CD2 3.89Å; R520-W664 HydrophobicContact CG-CE3 4.11Å; R520-W664 HydrophobicContact CG-CG 4.32Å; R520-W664 HydrophobicContact CG-CZ2 4.4Å; R520-W664 HydrophobicContact CG-CZ3 4.47Å | ||
| 521 | Q | 90.6 | Very high | 86.5 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -90.7 | 117.1 | 175.8 | -60.6 | -55.7 | -28.5 | 0 | 0 | 111.6 | R519 I526 R666 N667 | R519-Q521 PolarHBondContact O-N 3.06Å; R519-Q521 PolarHBondContact O-NE2 3.02Å; Q521-I526 HydrophobicContact CG-CG2 3.91Å; Q521-R666 HydrophobicContact CB-CB 3.83Å; Q521-R666 WeakPolarHBondContact O-CB 3.3Å; Q521-N667 PolarHBondContact N-OD1 3.41Å | ||
| 522 | V | 84.3 | Confident | 86.1 | Confident | 99 Ų | 99 | 69 Ų | 69 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | trans | -108.3 | -3 | -179.5 | -167 | 0 | 0 | 0 | 0 | 111.7 | R520 R666 | R520-V522 HydrophobicContact CG-CG2 4.42Å; V522-R666 VanDerWaalsContact C-NH1 3.28Å; V522-R666 PolarHBondContact O-NH1 2.8Å | ||
| 523 | G | 82.3 | Confident | 85.8 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -103.3 | -123.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R666 | G523-R666 VanDerWaalsContact O-CD 3.22Å; G523-R666 WeakPolarHBondContact O-CD 3.45Å; G523-R666 PolarHBondContact O-NH1 2.81Å |
| 524 | Q | 78.3 | Confident | 85.6 | Confident | 170 Ų | 170 | 73.1 Ų | 73.1 | 79% | 0.794 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -68.2 | 163.3 | 172.1 | -72.1 | 168.4 | -38.2 | 0 | 0 | 111.5 | ||
| 525 | H | 81.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 150.6 | 168.1 | -174.6 | 85.6 | 0 | 0 | 0 | 109 | E527 R665 | H525-E527 PolarHBondContact O-N 3.06Å; H525-R665 PolarHBondContact ND1-O 2.77Å |
| 526 | I | 82.8 | Confident | 85.5 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 131.6 | 174.1 | 66.2 | 176.8 | 0 | 0 | 0 | 110.1 | Q521 R666 N667 | Q521-I526 HydrophobicContact CG-CG2 3.91Å; I526-R666 PolarHBondContact N-O 3.3Å; I526-N667 WeakPolarHBondContact CD1-O 3.38Å |
| 527 | E | 76.2 | Confident | 85.6 | Confident | 188 Ų | 188 | 73 Ų | 73 | 88% | 0.879 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -82.2 | -20.5 | -176.6 | -62.8 | -174.4 | 160.7 | 0 | 0 | 112.9 | H525 | H525-E527 PolarHBondContact O-N 3.06Š|
| 528 | V | 77.9 | Confident | 85.6 | Confident | 123 Ų | 123 | 69.2 Ų | 69.2 | 75% | 0.745 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -133.6 | 126.2 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 529 | D | 76.5 | Confident | 85.6 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 135.6 | 171.4 | -93.6 | -51.1 | 0 | 0 | 0 | 109.5 | G668 L669 S670 | D529-G668 VanDerWaalsContact OD1-CA 3.29Å; D529-G668 WeakPolarHBondContact OD1-CA 3.48Å; D529-L669 PolarHBondContact OD1-N 2.79Å; D529-L669 PolarHBondContact OD2-N 2.75Å; D529-L669 VanDerWaalsContact OD2-N 3.16Å; D529-S670 VanDerWaalsContact OD1-CB 3.29Å; D529-S670 WeakPolarHBondContact OD1-CB 3.5Å; D529-S670 PolarHBondContact OD1-N 2.87Å |
| 530 | P | 79.4 | Confident | 85.5 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 144.1 | 175.9 | 30.3 | -34.5 | 0 | 0 | 0 | 111.3 | W532 S670 | P530-W532 PolarHBondContact O-N 2.82Å; P530-S670 PolarHBondContact O-OG 3.42Å |
| 531 | D | 80 | Confident | 85.3 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 122.5 | 169.4 | -53.9 | -48.9 | 0 | 0 | 0 | 109.4 | G463 | G463-D531 PolarHBondContact N-OD2 2.87Š|
| 532 | W | 85.9 | Confident | 85.4 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 11% | 0.114 | 33% | 0.331 | C | S | . | . | trans | -133.1 | -15.6 | -175.8 | 64 | -80.5 | 0 | 0 | 0 | 112.4 | P530 A534 A535 I536 S670 Q674 Y677 | P530-W532 PolarHBondContact O-N 2.82Å; W532-A534 VanDerWaalsContact C-N 3.32Å; W532-A534 PolarHBondContact O-N 2.86Å; W532-A535 PolarHBondContact O-N 3.06Å; W532-I536 HydrophobicContact CE3-CB 4.35Å; W532-I536 HydrophobicContact CE3-CG1 3.77Å; W532-I536 HydrophobicContact CZ3-CB 4.21Å; W532-I536 HydrophobicContact CZ3-CG1 3.91Å; W532-I536 HydrophobicContact CZ3-CG2 4.45Å; W532-I536 PolarHBondContact O-N 3.1Å; W532-S670 WeakPolarHBondContact CB-OG 3.47Å; W532-Q674 HydrophobicContact CB-CG 4.09Å; W532-Q674 HydrophobicContact CD2-CG 4.34Å; W532-Q674 HydrophobicContact CE3-CG 4.11Å; W532-Q674 HydrophobicContact CG-CG 4.33Å; W532-Y677 AromaticContact CH2-CD2 3.83Å; W532-Y677 HydrophobicContact CH2-CD2 3.83Å; W532-Y677 AromaticContact CH2-CE2 3.42Å; W532-Y677 HydrophobicContact CH2-CE2 3.42Å; W532-Y677 VanDerWaalsContact CH2-CE2 3.42Å; W532-Y677 AromaticContact CZ3-CD2 3.55Å; W532-Y677 HydrophobicContact CZ3-CD2 3.55Å; W532-Y677 AromaticContact CZ3-CE2 3.63Å; W532-Y677 HydrophobicContact CZ3-CE2 3.63Å | ||
| 533 | E | 89.9 | Confident | 85.7 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | -176.3 | -68.9 | 80.5 | 176.3 | 0 | 0 | 111.6 | I536 A537 | E533-I536 PolarHBondContact O-N 2.99Å; E533-A537 WeakPolarHBondContact O-CB 3.34Å; E533-A537 PolarHBondContact O-N 3.34Å |
| 534 | A | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F461 Y464 L469 W532 I536 A537 I538 | F461-A534 HydrophobicContact CB-CB 3.49Å; F461-A534 VanDerWaalsContact CB-CB 3.49Å; F461-A534 HydrophobicContact CD1-CB 3.96Å; F461-A534 HydrophobicContact CD2-CB 3.88Å; F461-A534 HydrophobicContact CG-CB 3.48Å; F461-A534 VanDerWaalsContact CG-CB 3.48Å; Y464-A534 HydrophobicContact CD1-CB 4.21Å; Y464-A534 HydrophobicContact CD2-CB 4.17Å; Y464-A534 HydrophobicContact CE1-CB 3.92Å; Y464-A534 HydrophobicContact CE2-CB 3.86Å; Y464-A534 HydrophobicContact CG-CB 4.33Å; L469-A534 HydrophobicContact CD2-CB 3.73Å; W532-A534 VanDerWaalsContact C-N 3.32Å; W532-A534 PolarHBondContact O-N 2.86Å; A534-I536 PolarHBondContact O-N 2.73Å; A534-A537 PolarHBondContact O-N 3.39Å; A534-I538 PolarHBondContact O-N 3.34Å |
| 535 | A | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F461 M515 E516 W532 Q539 | F461-A535 HydrophobicContact CD2-CB 4.07Å; F461-A535 HydrophobicContact CE2-CB 4.26Å; M515-A535 HydrophobicContact CE-CB 3.76Å; E516-A535 HydrophobicContact CG-CB 4.5Å; E516-A535 WeakPolarHBondContact OE2-CB 3.36Å; W532-A535 PolarHBondContact O-N 3.06Å; A535-Q539 WeakPolarHBondContact O-CB 3.48Å; A535-Q539 PolarHBondContact O-N 3.07Å; A535-Q539 VanDerWaalsContact O-N 3.16Å |
| 536 | I | 91.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -39.1 | 172.7 | -68.3 | -67 | 0 | 0 | 0 | 111.2 | W532 E533 A534 Q539 M540 I607 Y677 | W532-I536 HydrophobicContact CE3-CB 4.35Å; W532-I536 HydrophobicContact CE3-CG1 3.77Å; W532-I536 HydrophobicContact CZ3-CB 4.21Å; W532-I536 HydrophobicContact CZ3-CG1 3.91Å; W532-I536 HydrophobicContact CZ3-CG2 4.45Å; W532-I536 PolarHBondContact O-N 3.1Å; E533-I536 PolarHBondContact O-N 2.99Å; A534-I536 PolarHBondContact O-N 2.73Å; I536-Q539 WeakPolarHBondContact O-CB 3.45Å; I536-Q539 PolarHBondContact O-N 3.37Å; I536-M540 HydrophobicContact CG2-CG 4.36Å; I536-M540 HydrophobicContact CG2-SD 4.23Å; I536-M540 WeakPolarHBondContact O-CB 3.4Å; I536-M540 WeakPolarHBondContact O-CG 3.38Å; I536-M540 PolarHBondContact O-N 3.33Å; I536-I607 HydrophobicContact CD1-CD1 4.19Å; I536-Y677 HydrophobicContact CG2-CD1 4.07Å; I536-Y677 HydrophobicContact CG2-CD2 4.49Å; I536-Y677 HydrophobicContact CG2-CG 4.02Å |
| 537 | A | 91.5 | Very high | 88 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 21% | 0.207 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y473 E533 A534 Q539 M540 Q541 | Y473-A537 VanDerWaalsContact OH-CB 3.29Å; Y473-A537 WeakPolarHBondContact OH-CB 3.27Å; E533-A537 WeakPolarHBondContact O-CB 3.34Å; E533-A537 PolarHBondContact O-N 3.34Å; A534-A537 PolarHBondContact O-N 3.39Å; A537-Q539 PolarHBondContact O-N 2.95Å; A537-M540 WeakPolarHBondContact O-CB 3.46Å; A537-M540 PolarHBondContact O-N 3.03Å; A537-M540 VanDerWaalsContact O-N 3.14Å; A537-Q541 WeakPolarHBondContact O-CG 3.39Å; A537-Q541 PolarHBondContact O-N 3.38Å |
| 538 | I | 91 | Very high | 88.8 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 174.5 | -68.3 | 170.1 | 0 | 0 | 0 | 111 | F461 L469 Y473 M512 A534 M540 Q541 L542 | F461-I538 HydrophobicContact CE1-CD1 3.59Å; F461-I538 HydrophobicContact CE2-CD1 3.84Å; F461-I538 HydrophobicContact CZ-CD1 3.14Å; L469-I538 HydrophobicContact CD1-CD1 4.18Å; L469-I538 HydrophobicContact CD2-CD1 4.5Å; Y473-I538 HydrophobicContact CE1-CG1 3.72Å; M512-I538 HydrophobicContact CE-CG2 3.82Å; M512-I538 HydrophobicContact SD-CG2 4.32Å; A534-I538 PolarHBondContact O-N 3.34Å; I538-M540 PolarHBondContact O-N 2.72Å; I538-Q541 PolarHBondContact O-N 3.23Å; I538-L542 HydrophobicContact CG2-CD1 3.79Å; I538-L542 HydrophobicContact CG2-CG 4.34Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 WeakPolarHBondContact O-CG 3.48Å; I538-L542 PolarHBondContact O-N 3.33Å |
| 539 | Q | 91.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -38.8 | 175.7 | -175.5 | 68.6 | 40.2 | 0 | 0 | 111.5 | A535 I536 A537 K543 M687 | A535-Q539 WeakPolarHBondContact O-CB 3.48Å; A535-Q539 PolarHBondContact O-N 3.07Å; A535-Q539 VanDerWaalsContact O-N 3.16Å; I536-Q539 WeakPolarHBondContact O-CB 3.45Å; I536-Q539 PolarHBondContact O-N 3.37Å; A537-Q539 PolarHBondContact O-N 2.95Å; Q539-K543 PolarHBondContact O-N 2.97Å; Q539-K543 VanDerWaalsContact O-N 3.11Å; Q539-M687 HydrophobicContact CG-CE 4.2Å; Q539-M687 HydrophobicContact CG-SD 3.99Å |
| 540 | M | 89.6 | Confident | 90.6 | Very high | 60 Ų | 60 | 25.7 Ų | 25.7 | 30% | 0.296 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -69 | -38.8 | 175.4 | -75.4 | -174.1 | 64.8 | 0 | 0 | 113.3 | I536 A537 I538 K543 K682 | I536-M540 HydrophobicContact CG2-CG 4.36Å; I536-M540 HydrophobicContact CG2-SD 4.23Å; I536-M540 WeakPolarHBondContact O-CB 3.4Å; I536-M540 WeakPolarHBondContact O-CG 3.38Å; I536-M540 PolarHBondContact O-N 3.33Å; A537-M540 WeakPolarHBondContact O-CB 3.46Å; A537-M540 PolarHBondContact O-N 3.03Å; A537-M540 VanDerWaalsContact O-N 3.14Å; I538-M540 PolarHBondContact O-N 2.72Å; M540-K543 WeakPolarHBondContact O-CG 3.3Å; M540-K682 HydrophobicContact CE-CB 4.4Å; M540-K682 HydrophobicContact CE-CD 4.09Å |
| 541 | Q | 90.6 | Very high | 91.2 | Very high | 83 Ų | 83 | 23.7 Ų | 23.7 | 39% | 0.388 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 174.6 | -61.7 | -54 | -21 | 0 | 0 | 111.4 | Y473 I476 A537 I538 | Y473-Q541 HydrophobicContact CD1-CG 4.1Å; Y473-Q541 HydrophobicContact CG-CG 4.12Å; I476-Q541 HydrophobicContact CG2-CB 3.89Å; A537-Q541 WeakPolarHBondContact O-CG 3.39Å; A537-Q541 PolarHBondContact O-N 3.38Å; I538-Q541 PolarHBondContact O-N 3.23Å |
| 542 | L | 92.5 | Very high | 92 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -76.7 | -19.8 | -177.4 | -70.1 | 176.1 | 0 | 0 | 0 | 114.4 | I476 F505 L509 M512 I538 N544 I545 L546 | I476-L542 HydrophobicContact CG2-CD2 3.76Å; I476-L542 HydrophobicContact CG2-CG 4.39Å; F505-L542 HydrophobicContact CE2-CD2 3.92Å; F505-L542 HydrophobicContact CZ-CD2 4.31Å; L509-L542 HydrophobicContact CD2-CD1 4.47Å; M512-L542 HydrophobicContact CE-CD1 3.85Å; M512-L542 HydrophobicContact SD-CD1 3.29Å; M512-L542 WeakPolarHBondContact SD-CD1 3.3Å; I538-L542 HydrophobicContact CG2-CD1 3.79Å; I538-L542 HydrophobicContact CG2-CG 4.34Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 WeakPolarHBondContact O-CG 3.48Å; I538-L542 PolarHBondContact O-N 3.33Å; L542-N544 VanDerWaalsContact C-N 3.26Å; L542-N544 PolarHBondContact O-N 3.17Å; L542-N544 VanDerWaalsContact O-N 3.11Å; L542-I545 HydrophobicContact CD2-CD1 4.1Å; L542-I545 WeakPolarHBondContact O-CA 3.34Å; L542-I545 WeakPolarHBondContact O-CB 3.14Å; L542-I545 PolarHBondContact O-N 2.72Å; L542-L546 WeakPolarHBondContact O-CG 3.37Å; L542-L546 PolarHBondContact O-N 3.32Å |
| 543 | K | 90.2 | Very high | 92.4 | Very high | 36 Ų | 36 | 19.2 Ų | 19.2 | 16% | 0.157 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -50.3 | -43.7 | -173 | 84.1 | -176.2 | -165.8 | 170.2 | 0 | 113.6 | Q539 M540 L547 K682 | Q539-K543 PolarHBondContact O-N 2.97Å; Q539-K543 VanDerWaalsContact O-N 3.11Å; M540-K543 WeakPolarHBondContact O-CG 3.3Å; K543-L547 PolarHBondContact O-N 3.11Å; K543-K682 VanDerWaalsContact CD-O 3.29Å; K543-K682 WeakPolarHBondContact CD-O 3.23Å; K543-K682 PolarHBondContact NZ-O 3.25Å |
| 544 | N | 90.2 | Very high | 92.6 | Very high | 24 Ų | 24 | 15.5 Ų | 15.5 | 13% | 0.128 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -73.5 | -41.5 | -179.3 | -67.9 | -25.5 | 0 | 0 | 0 | 110.4 | L542 L546 L547 M548 | L542-N544 VanDerWaalsContact C-N 3.26Å; L542-N544 PolarHBondContact O-N 3.17Å; L542-N544 VanDerWaalsContact O-N 3.11Å; N544-L546 VanDerWaalsContact C-N 3.3Å; N544-L546 PolarHBondContact O-N 3.43Å; N544-L547 WeakPolarHBondContact O-CB 3.41Å; N544-L547 PolarHBondContact O-N 2.65Å; N544-L547 VanDerWaalsContact O-N 3.12Å; N544-M548 HydrophobicContact CB-SD 4.29Å; N544-M548 WeakPolarHBondContact O-CB 3.28Å; N544-M548 WeakPolarHBondContact O-CG 3.34Å; N544-M548 PolarHBondContact O-N 3.18Å |
| 545 | I | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 178.7 | -65.9 | 164.3 | 0 | 0 | 0 | 111 | I476 L479 K480 L483 F505 L542 M548 F549 | I476-I545 HydrophobicContact CG2-CD1 3.57Å; I476-I545 VanDerWaalsContact O-CD1 3.25Å; I476-I545 WeakPolarHBondContact O-CD1 3.29Å; L479-I545 HydrophobicContact CB-CD1 4.27Å; L479-I545 HydrophobicContact CD2-CG2 3.97Å; L479-I545 HydrophobicContact CG-CD1 4.38Å; L479-I545 HydrophobicContact CG-CG2 4.07Å; K480-I545 HydrophobicContact CB-CD1 4.09Å; K480-I545 HydrophobicContact CB-CG1 3.9Å; K480-I545 HydrophobicContact CG-CG1 4.31Å; L483-I545 HydrophobicContact CD1-CG2 4Å; F505-I545 HydrophobicContact CE1-CG2 4.41Å; F505-I545 HydrophobicContact CE2-CG2 3.91Å; F505-I545 HydrophobicContact CZ-CG2 3.74Å; L542-I545 HydrophobicContact CD2-CD1 4.1Å; L542-I545 WeakPolarHBondContact O-CA 3.34Å; L542-I545 WeakPolarHBondContact O-CB 3.14Å; L542-I545 PolarHBondContact O-N 2.72Å; I545-M548 PolarHBondContact O-N 2.93Å; I545-F549 HydrophobicContact CG2-CD2 3.68Å; I545-F549 HydrophobicContact CG2-CE2 3.63Å; I545-F549 WeakPolarHBondContact O-CD2 3.46Å; I545-F549 PolarHBondContact O-N 3.13Å |
| 546 | L | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 172.8 | -66.3 | 174.1 | 0 | 0 | 0 | 111.6 | F505 L509 L542 N544 Q550 P610 | F505-L546 HydrophobicContact CE1-CD2 3.91Å; F505-L546 HydrophobicContact CZ-CD2 3.89Å; L509-L546 HydrophobicContact CD1-CD2 3.68Å; L509-L546 HydrophobicContact CD2-CD2 3.96Å; L509-L546 HydrophobicContact CG-CD2 4.47Å; L542-L546 WeakPolarHBondContact O-CG 3.37Å; L542-L546 PolarHBondContact O-N 3.32Å; N544-L546 VanDerWaalsContact C-N 3.3Å; N544-L546 PolarHBondContact O-N 3.43Å; L546-Q550 WeakPolarHBondContact O-CG 3.49Å; L546-Q550 PolarHBondContact O-N 3.24Å; L546-Q550 PolarHBondContact O-NE2 3.11Å; L546-P610 HydrophobicContact CD1-CB 4.34Å |
| 547 | L | 92.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 177 | 179.4 | 63.6 | 0 | 0 | 0 | 111.8 | K543 N544 Q550 E551 R621 E794 | K543-L547 PolarHBondContact O-N 3.11Å; N544-L547 WeakPolarHBondContact O-CB 3.41Å; N544-L547 PolarHBondContact O-N 2.65Å; N544-L547 VanDerWaalsContact O-N 3.12Å; L547-Q550 CarbonylContact O-C 3.49Å; L547-Q550 WeakPolarHBondContact O-CA 3.43Å; L547-Q550 WeakPolarHBondContact O-CB 3.48Å; L547-Q550 PolarHBondContact O-N 2.95Å; L547-Q550 VanDerWaalsContact O-N 3.13Å; L547-E551 HydrophobicContact CD1-CG 4.45Å; L547-E551 PolarHBondContact O-N 2.93Å; L547-R621 VanDerWaalsContact CD1-NH2 3.32Å; L547-E794 HydrophobicContact CD2-CG 4.46Å |
| 548 | M | 94.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | -179 | -67.7 | 163.2 | 93.6 | 0 | 0 | 111.2 | K480 L483 I484 N544 I545 Q550 E551 W552 E794 | K480-M548 HydrophobicContact CG-CE 4.16Å; K480-M548 HydrophobicContact CG-SD 3.79Å; K480-M548 WeakPolarHBondContact O-CE 3.48Å; L483-M548 VanDerWaalsContact C-CE 3.42Å; L483-M548 HydrophobicContact CB-CB 4.06Å; L483-M548 HydrophobicContact CB-CE 3.84Å; L483-M548 HydrophobicContact CB-SD 4.44Å; L483-M548 HydrophobicContact CD1-CB 4.33Å; L483-M548 WeakPolarHBondContact O-CE 3.36Å; I484-M548 HydrophobicContact CB-CE 4.36Å; I484-M548 HydrophobicContact CG1-CE 3.8Å; N544-M548 HydrophobicContact CB-SD 4.29Å; N544-M548 WeakPolarHBondContact O-CB 3.28Å; N544-M548 WeakPolarHBondContact O-CG 3.34Å; N544-M548 PolarHBondContact O-N 3.18Å; I545-M548 PolarHBondContact O-N 2.93Å; M548-Q550 VanDerWaalsContact C-N 3.31Å; M548-Q550 PolarHBondContact O-N 2.77Å; M548-E551 PolarHBondContact O-N 3Å; M548-E551 VanDerWaalsContact O-N 3.17Å; M548-W552 PolarHBondContact O-N 3.44Å; M548-E794 HydrophobicContact CG-CG 3.9Å; M548-E794 VanDerWaalsContact CG-OE1 3.26Å; M548-E794 WeakPolarHBondContact CG-OE1 3.44Å; M548-E794 HydrophobicContact SD-CG 4.23Å |
| 549 | F | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 172 | -86.5 | -65 | 0 | 0 | 0 | 112.1 | I438 L479 L483 F498 F502 F505 I545 W552 C553 | I438-F549 HydrophobicContact CG2-CE1 4.23Å; I438-F549 HydrophobicContact CG2-CZ 3.95Å; L479-F549 HydrophobicContact CD1-CE2 4.44Å; L479-F549 HydrophobicContact CD1-CZ 4.24Å; L479-F549 HydrophobicContact CD2-CE2 4.34Å; L483-F549 HydrophobicContact CD1-CD1 4.41Å; L483-F549 HydrophobicContact CD1-CD2 3.84Å; L483-F549 HydrophobicContact CD1-CE1 4.26Å; L483-F549 HydrophobicContact CD1-CE2 3.66Å; L483-F549 HydrophobicContact CD1-CG 4.22Å; L483-F549 HydrophobicContact CD1-CZ 3.89Å; L483-F549 HydrophobicContact CD2-CD1 4.41Å; L483-F549 HydrophobicContact CD2-CE1 4.18Å; L483-F549 HydrophobicContact CD2-CZ 4.47Å; F498-F549 AromaticContact CE2-CD1 3.75Å; F498-F549 HydrophobicContact CE2-CD1 3.75Å; F498-F549 AromaticContact CE2-CE1 3.91Å; F498-F549 HydrophobicContact CE2-CE1 3.91Å; F498-F549 AromaticContact CZ-CD1 3.76Å; F498-F549 HydrophobicContact CZ-CD1 3.76Å; F498-F549 HydrophobicContact CZ-CE1 4.27Å; F502-F549 HydrophobicContact CB-CD1 4.41Å; F502-F549 HydrophobicContact CB-CE1 4.19Å; F502-F549 HydrophobicContact CD2-CB 4.23Å; F502-F549 AromaticContact CD2-CD1 3.57Å; F502-F549 HydrophobicContact CD2-CD1 3.57Å; F502-F549 AromaticContact CD2-CE1 3.99Å; F502-F549 HydrophobicContact CD2-CE1 3.99Å; F502-F549 AromaticContact CD2-CG 3.93Å; F502-F549 HydrophobicContact CD2-CG 3.93Å; F502-F549 HydrophobicContact CE2-CB 4.16Å; F502-F549 HydrophobicContact CE2-CD1 4.34Å; F502-F549 HydrophobicContact CE2-CG 4.3Å; F502-F549 HydrophobicContact CG-CD1 4.41Å; F505-F549 HydrophobicContact CB-CE2 4Å; F505-F549 HydrophobicContact CB-CZ 3.98Å; F505-F549 AromaticContact CD1-CD2 3.47Å; F505-F549 HydrophobicContact CD1-CD2 3.47Å; F505-F549 VanDerWaalsContact CD1-CD2 3.47Å; F505-F549 AromaticContact CD1-CE2 3.35Å; F505-F549 HydrophobicContact CD1-CE2 3.35Å; F505-F549 HydrophobicContact CD1-CG 4.28Å; F505-F549 HydrophobicContact CD1-CZ 4.08Å; F505-F549 AromaticContact CD2-CE2 3.87Å; F505-F549 HydrophobicContact CD2-CE2 3.87Å; F505-F549 AromaticContact CE1-CD2 3.45Å; F505-F549 HydrophobicContact CE1-CD2 3.45Å; F505-F549 VanDerWaalsContact CE1-CD2 3.45Å; F505-F549 AromaticContact CE1-CE2 3.66Å; F505-F549 HydrophobicContact CE1-CE2 3.66Å; F505-F549 HydrophobicContact CE1-CG 4.41Å; F505-F549 HydrophobicContact CE2-CE2 4.16Å; F505-F549 HydrophobicContact CG-CD2 4.09Å; F505-F549 AromaticContact CG-CE2 3.46Å; F505-F549 HydrophobicContact CG-CE2 3.46Å; F505-F549 VanDerWaalsContact CG-CE2 3.46Å; F505-F549 AromaticContact CG-CZ 3.97Å; F505-F549 HydrophobicContact CG-CZ 3.97Å; F505-F549 HydrophobicContact CZ-CD2 4.07Å; F505-F549 HydrophobicContact CZ-CE2 4.07Å; I545-F549 HydrophobicContact CG2-CD2 3.68Å; I545-F549 HydrophobicContact CG2-CE2 3.63Å; I545-F549 WeakPolarHBondContact O-CD2 3.46Å; I545-F549 PolarHBondContact O-N 3.13Å; F549-W552 PolarHBondContact O-N 2.87Å; F549-C553 WeakPolarHBondContact O-CB 3.44Å; F549-C553 PolarHBondContact O-N 3.06Å; F549-C553 PolarHBondContact O-SG 3.33Å |
| 550 | Q | 95.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 175.4 | -65.9 | 163.1 | 49.7 | 0 | 0 | 112.5 | L546 L547 M548 A554 L618 E686 | L546-Q550 WeakPolarHBondContact O-CG 3.49Å; L546-Q550 PolarHBondContact O-N 3.24Å; L546-Q550 PolarHBondContact O-NE2 3.11Å; L547-Q550 CarbonylContact O-C 3.49Å; L547-Q550 WeakPolarHBondContact O-CA 3.43Å; L547-Q550 WeakPolarHBondContact O-CB 3.48Å; L547-Q550 PolarHBondContact O-N 2.95Å; L547-Q550 VanDerWaalsContact O-N 3.13Å; M548-Q550 VanDerWaalsContact C-N 3.31Å; M548-Q550 PolarHBondContact O-N 2.77Å; Q550-A554 VanDerWaalsContact O-CB 3.28Å; Q550-A554 WeakPolarHBondContact O-CB 3.3Å; Q550-A554 PolarHBondContact O-N 3.32Å; Q550-A554 VanDerWaalsContact O-N 3.14Å; Q550-L618 HydrophobicContact CB-CD2 4.33Å; Q550-L618 HydrophobicContact CG-CD2 4.06Å; Q550-L618 HydrophobicContact CG-CG 4.35Å; Q550-E686 PolarHBondContact NE2-OE2 3.22Å |
| 551 | E | 92.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 12% | 0.121 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.1 | -41.5 | 175.3 | -70.6 | -133.9 | 159.9 | 0 | 0 | 112 | K486 L547 M548 A554 C555 K764 | K486-E551 IonicContact NZ-OE2 2.6Å; K486-E551 PolarHBondContact NZ-OE2 3.19Å; L547-E551 HydrophobicContact CD1-CG 4.45Å; L547-E551 PolarHBondContact O-N 2.93Å; M548-E551 PolarHBondContact O-N 3Å; M548-E551 VanDerWaalsContact O-N 3.17Å; E551-A554 CarbonylContact O-C 3.55Å; E551-A554 PolarHBondContact O-N 2.95Å; E551-C555 PolarHBondContact O-N 3.13Å; E551-C555 PolarHBondContact O-SG 3.17Å; E551-K764 IonicContact OE1-NZ 3.17Å; E551-K764 PolarHBondContact OE1-NZ 3.31Å |
| 552 | W | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 174.8 | -85.9 | 62.1 | 0 | 0 | 0 | 112 | I432 L483 K486 P487 W490 F498 M548 F549 A554 C555 | I432-W552 HydrophobicContact CD1-CH2 3.43Å; I432-W552 VanDerWaalsContact CD1-CH2 3.43Å; I432-W552 HydrophobicContact CD1-CZ2 4.47Å; I432-W552 HydrophobicContact CD1-CZ3 3.85Å; L483-W552 HydrophobicContact CD2-CD2 4.17Å; L483-W552 HydrophobicContact CD2-CG 4.48Å; L483-W552 HydrophobicContact CD2-CZ2 4.29Å; L483-W552 PolarHBondContact O-NE1 3.25Å; K486-W552 HydrophobicContact CB-CD2 4.47Å; K486-W552 HydrophobicContact CB-CG 4.41Å; P487-W552 VanDerWaalsContact CD-CE3 3.49Å; P487-W552 VanDerWaalsContact CD-CZ3 3.44Å; P487-W552 HydrophobicContact CG-CE3 4Å; P487-W552 HydrophobicContact CG-CH2 4.4Å; P487-W552 HydrophobicContact CG-CZ3 3.87Å; W490-W552 AromaticContact CH2-CE3 3.86Å; W490-W552 HydrophobicContact CH2-CE3 3.86Å; W490-W552 HydrophobicContact CH2-CZ3 4.36Å; W490-W552 HydrophobicContact CZ2-CE3 4.22Å; F498-W552 HydrophobicContact CD2-CD2 4.28Å; F498-W552 AromaticContact CD2-CE3 3.45Å; F498-W552 HydrophobicContact CD2-CE3 3.45Å; F498-W552 VanDerWaalsContact CD2-CE3 3.45Å; F498-W552 AromaticContact CD2-CZ3 3.95Å; F498-W552 HydrophobicContact CD2-CZ3 3.95Å; F498-W552 HydrophobicContact CE1-CB 4.5Å; F498-W552 HydrophobicContact CE2-CB 3.63Å; F498-W552 AromaticContact CE2-CD2 3.86Å; F498-W552 HydrophobicContact CE2-CD2 3.86Å; F498-W552 AromaticContact CE2-CE3 3.48Å; F498-W552 HydrophobicContact CE2-CE3 3.48Å; F498-W552 VanDerWaalsContact CE2-CE3 3.48Å; F498-W552 AromaticContact CE2-CG 3.97Å; F498-W552 HydrophobicContact CE2-CG 3.97Å; F498-W552 HydrophobicContact CE2-CZ3 4.36Å; F498-W552 HydrophobicContact CG-CE3 4.31Å; F498-W552 HydrophobicContact CZ-CB 3.53Å; F498-W552 HydrophobicContact CZ-CE3 4.36Å; F498-W552 HydrophobicContact CZ-CG 4.37Å; M548-W552 PolarHBondContact O-N 3.44Å; F549-W552 PolarHBondContact O-N 2.87Å; W552-A554 PolarHBondContact O-N 3.2Å; W552-C555 WeakPolarHBondContact O-CB 3.37Å; W552-C555 PolarHBondContact O-N 3.26Å |
| 553 | C | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.6 | -43.1 | 174.1 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | F549 C555 D556 L560 A563 L618 | F549-C553 WeakPolarHBondContact O-CB 3.44Å; F549-C553 PolarHBondContact O-N 3.06Å; F549-C553 PolarHBondContact O-SG 3.33Å; C553-C555 PolarHBondContact O-N 3.28Å; C553-C555 VanDerWaalsContact O-N 3.12Å; C553-D556 PolarHBondContact O-N 2.69Å; C553-L560 HydrophobicContact CB-CD1 3.62Å; C553-L560 WeakPolarHBondContact O-CB 3.46Å; C553-A563 HydrophobicContact CB-CB 4.26Å; C553-A563 VanDerWaalsContact SG-CB 3.5Å; C553-L618 HydrophobicContact CB-CD2 3.95Å |
| 554 | A | 94.3 | Very high | 95 | Very high | 10 Ų | 10 | 18.2 Ų | 18.2 | 8% | 0.083 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 3.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q550 E551 W552 L560 R621 | Q550-A554 VanDerWaalsContact O-CB 3.28Å; Q550-A554 WeakPolarHBondContact O-CB 3.3Å; Q550-A554 PolarHBondContact O-N 3.32Å; Q550-A554 VanDerWaalsContact O-N 3.14Å; E551-A554 CarbonylContact O-C 3.55Å; E551-A554 PolarHBondContact O-N 2.95Å; W552-A554 PolarHBondContact O-N 3.2Å; A554-L560 HydrophobicContact CB-CD2 4.49Å; A554-R621 HydrophobicContact CB-CB 3.89Å; A554-R621 HydrophobicContact CB-CG 3.95Å |
| 555 | C | 94.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 20.1 Ų | 20.1 | 39% | 0.385 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -12 | 172.3 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | W490 E551 W552 C553 | W490-C555 HydrophobicContact CZ2-CB 4.47Å; E551-C555 PolarHBondContact O-N 3.13Å; E551-C555 PolarHBondContact O-SG 3.17Å; W552-C555 WeakPolarHBondContact O-CB 3.37Å; W552-C555 PolarHBondContact O-N 3.26Å; C553-C555 PolarHBondContact O-N 3.28Å; C553-C555 VanDerWaalsContact O-N 3.12Å |
| 556 | D | 93.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 13% | 0.134 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -145.1 | 126.6 | 177.4 | 178.8 | -70.3 | 0 | 0 | 0 | 109.5 | W490 R495 C553 E558 L559 L560 | W490-D556 HydrophobicContact CG-CB 4.32Å; R495-D556 IonicContact CZ-OD2 3.49Å; R495-D556 IonicContact NE-OD1 2.83Å; R495-D556 IonicContact NE-OD2 3.51Å; R495-D556 PolarHBondContact NE-OD2 3.48Å; R495-D556 IonicContact NH2-OD2 3.27Å; R495-D556 PolarHBondContact NH2-OD2 3.37Å; C553-D556 PolarHBondContact O-N 2.69Å; D556-E558 PolarHBondContact OD1-N 2.86Å; D556-L559 HydrophobicContact CB-CB 3.76Å; D556-L559 HydrophobicContact CB-CD2 4.26Å; D556-L559 WeakPolarHBondContact OD1-CB 3.4Å; D556-L559 PolarHBondContact OD1-N 3.42Å; D556-L560 WeakPolarHBondContact O-CB 3.44Å; D556-L560 PolarHBondContact O-N 3.09Å |
| 557 | E | 94.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 21.7 Ų | 21.7 | 37% | 0.369 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.4 | -42.3 | -170.7 | -174.5 | -176.6 | 115.6 | 0 | 0 | 112.8 | L560 L561 A627 R630 | E557-L560 PolarHBondContact O-N 3.09Å; E557-L561 HydrophobicContact CG-CD1 4.15Å; E557-L561 WeakPolarHBondContact O-CG 3.33Å; E557-L561 PolarHBondContact O-N 3.44Å; E557-A627 HydrophobicContact CG-CB 3.74Å; E557-R630 WeakPolarHBondContact OE1-CD 3.38Å; E557-R630 IonicContact OE1-CZ 2.71Å; E557-R630 IonicContact OE1-NE 2.71Å; E557-R630 IonicContact OE1-NH1 2.69Å; E557-R630 PolarHBondContact OE1-NH1 3.34Å |
| 558 | E | 93.8 | Very high | 95.9 | Very high | 87 Ų | 87 | 20.5 Ų | 20.5 | 41% | 0.407 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -70 | -41.1 | -178 | -168.8 | 67.9 | -170.5 | 0 | 0 | 110 | D556 L560 L561 V562 R630 F634 | D556-E558 PolarHBondContact OD1-N 2.86Å; E558-L560 VanDerWaalsContact C-N 3.33Å; E558-L560 PolarHBondContact O-N 3.22Å; E558-L561 PolarHBondContact O-N 2.99Å; E558-V562 WeakPolarHBondContact O-CG2 3.19Å; E558-V562 PolarHBondContact O-N 2.96Å; E558-R630 IonicContact OE2-CZ 2.85Å; E558-R630 IonicContact OE2-NH1 3.47Å; E558-R630 PolarHBondContact OE2-NH1 2.9Å; E558-R630 IonicContact OE2-NH2 3.91Å; E558-R630 PolarHBondContact OE2-NH2 3.18Å; E558-F634 VanDerWaalsContact OE1-CZ 3.29Å; E558-F634 WeakPolarHBondContact OE1-CZ 3.36Å |
| 559 | L | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 170.5 | 176.2 | 65.6 | 0 | 0 | 0 | 111.9 | W490 F498 L499 D556 L561 V562 A563 | W490-L559 HydrophobicContact CD2-CD2 4.5Å; W490-L559 HydrophobicContact CE3-CD2 4.43Å; W490-L559 HydrophobicContact CH2-CD2 3.31Å; W490-L559 HydrophobicContact CZ2-CD2 3.38Å; W490-L559 HydrophobicContact CZ3-CD2 3.87Å; F498-L559 HydrophobicContact CD1-CD1 3.73Å; F498-L559 HydrophobicContact CD1-CD2 3.95Å; F498-L559 HydrophobicContact CD1-CG 4.36Å; F498-L559 HydrophobicContact CE1-CD1 4Å; F498-L559 HydrophobicContact CE1-CD2 3.9Å; F498-L559 HydrophobicContact CE1-CG 4.27Å; L499-L559 HydrophobicContact CD1-CD1 3.92Å; L499-L559 HydrophobicContact CD2-CD1 3.55Å; L499-L559 HydrophobicContact CG-CD1 3.43Å; L499-L559 VanDerWaalsContact CG-CD1 3.43Å; D556-L559 HydrophobicContact CB-CB 3.76Å; D556-L559 HydrophobicContact CB-CD2 4.26Å; D556-L559 WeakPolarHBondContact OD1-CB 3.4Å; D556-L559 PolarHBondContact OD1-N 3.42Å; L559-L561 PolarHBondContact O-N 2.9Å; L559-V562 PolarHBondContact O-N 2.92Å; L559-A563 VanDerWaalsContact O-CB 3.24Å; L559-A563 WeakPolarHBondContact O-CB 3.44Å; L559-A563 PolarHBondContact O-N 3.32Å |
| 560 | L | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 179.4 | -176.5 | 59.4 | 0 | 0 | 0 | 112.3 | C553 A554 D556 E557 E558 A563 Y564 L618 R621 L622 L625 | C553-L560 HydrophobicContact CB-CD1 3.62Å; C553-L560 WeakPolarHBondContact O-CB 3.46Å; A554-L560 HydrophobicContact CB-CD2 4.49Å; D556-L560 WeakPolarHBondContact O-CB 3.44Å; D556-L560 PolarHBondContact O-N 3.09Å; E557-L560 PolarHBondContact O-N 3.09Å; E558-L560 VanDerWaalsContact C-N 3.33Å; E558-L560 PolarHBondContact O-N 3.22Å; L560-A563 PolarHBondContact O-N 2.93Å; L560-Y564 WeakPolarHBondContact O-CB 3.44Å; L560-Y564 PolarHBondContact O-N 3.29Å; L560-L618 HydrophobicContact CD1-CB 4.41Å; L560-L618 HydrophobicContact CD1-CD2 3.73Å; L560-R621 HydrophobicContact CD1-CB 4.22Å; L560-R621 HydrophobicContact CD2-CB 3.9Å; L560-L622 HydrophobicContact CB-CD2 4.39Å; L560-L622 HydrophobicContact CD2-CB 4.43Å; L560-L622 HydrophobicContact CD2-CD2 3.66Å; L560-L622 HydrophobicContact CD2-CG 3.84Å; L560-L622 HydrophobicContact CG-CD2 3.66Å; L560-L622 HydrophobicContact CG-CG 3.9Å; L560-L625 HydrophobicContact CD2-CD1 3.83Å |
| 561 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 177.8 | -73.7 | 161.5 | 0 | 0 | 0 | 111.7 | E557 E558 L559 K565 L622 R630 L631 F634 | E557-L561 HydrophobicContact CG-CD1 4.15Å; E557-L561 WeakPolarHBondContact O-CG 3.33Å; E557-L561 PolarHBondContact O-N 3.44Å; E558-L561 PolarHBondContact O-N 2.99Å; L559-L561 PolarHBondContact O-N 2.9Å; L561-K565 PolarHBondContact O-N 3.17Å; L561-K565 VanDerWaalsContact O-N 3.08Å; L561-L622 HydrophobicContact CD2-CD2 3.62Å; L561-L622 HydrophobicContact CG-CD2 3.92Å; L561-R630 HydrophobicContact CD1-CB 4.11Å; L561-R630 HydrophobicContact CD2-CB 4.4Å; L561-L631 HydrophobicContact CD2-CD1 4.45Å; L561-F634 HydrophobicContact CB-CD1 3.97Å; L561-F634 HydrophobicContact CB-CD2 3.79Å; L561-F634 HydrophobicContact CB-CE1 3.88Å; L561-F634 HydrophobicContact CB-CE2 3.73Å; L561-F634 HydrophobicContact CB-CG 3.95Å; L561-F634 HydrophobicContact CB-CZ 3.76Å; L561-F634 HydrophobicContact CD1-CD2 4.26Å; L561-F634 HydrophobicContact CD1-CE2 3.68Å; L561-F634 HydrophobicContact CD1-CZ 4.1Å; L561-F634 HydrophobicContact CD2-CD2 3.98Å; L561-F634 HydrophobicContact CD2-CE2 4.25Å; L561-F634 HydrophobicContact CG-CD2 4.23Å; L561-F634 HydrophobicContact CG-CE2 4.09Å; L561-F634 HydrophobicContact CG-CZ 4.49Å |
| 562 | V | 97.4 | Very high | 95.8 | Very high | 29 Ų | 29 | 24.2 Ų | 24.2 | 18% | 0.176 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 174.4 | 177 | 0 | 0 | 0 | 0 | 111.5 | L499 E558 L559 Y564 K565 E566 F634 | L499-V562 HydrophobicContact CD1-CB 4.36Å; L499-V562 HydrophobicContact CD1-CG1 3.8Å; L499-V562 HydrophobicContact CD2-CB 4.37Å; L499-V562 HydrophobicContact CD2-CG1 3.89Å; E558-V562 WeakPolarHBondContact O-CG2 3.19Å; E558-V562 PolarHBondContact O-N 2.96Å; L559-V562 PolarHBondContact O-N 2.92Å; V562-Y564 PolarHBondContact O-N 2.82Å; V562-K565 WeakPolarHBondContact O-CB 3.46Å; V562-K565 PolarHBondContact O-N 3.49Å; V562-E566 PolarHBondContact O-N 3.25Å; V562-F634 HydrophobicContact CG2-CD1 4.21Å; V562-F634 HydrophobicContact CG2-CE1 3.8Å |
| 563 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L499 F502 C553 L559 L560 K565 E566 C567 | L499-A563 HydrophobicContact CD2-CB 4.42Å; F502-A563 HydrophobicContact CD1-CB 4.01Å; F502-A563 HydrophobicContact CE1-CB 3.68Å; F502-A563 HydrophobicContact CZ-CB 4.42Å; C553-A563 HydrophobicContact CB-CB 4.26Å; C553-A563 VanDerWaalsContact SG-CB 3.5Å; L559-A563 VanDerWaalsContact O-CB 3.24Å; L559-A563 WeakPolarHBondContact O-CB 3.44Å; L559-A563 PolarHBondContact O-N 3.32Å; L560-A563 PolarHBondContact O-N 2.93Å; A563-K565 PolarHBondContact O-N 2.81Å; A563-E566 PolarHBondContact O-N 3.4Å; A563-C567 WeakPolarHBondContact O-CB 3.45Å; A563-C567 PolarHBondContact O-N 3.1Å |
| 564 | Y | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 174.2 | -170 | -81.6 | 0 | 0 | 0 | 111.7 | L560 V562 C567 H568 L615 L618 H619 L622 L631 F640 | L560-Y564 WeakPolarHBondContact O-CB 3.44Å; L560-Y564 PolarHBondContact O-N 3.29Å; V562-Y564 PolarHBondContact O-N 2.82Å; Y564-C567 PolarHBondContact O-N 2.88Å; Y564-H568 HydrophobicContact CE1-CB 4.41Å; Y564-H568 VanDerWaalsContact O-CB 3.32Å; Y564-H568 WeakPolarHBondContact O-CB 3.47Å; Y564-H568 PolarHBondContact O-N 2.8Å; Y564-L615 HydrophobicContact CD1-CD1 4.08Å; Y564-L615 HydrophobicContact CD2-CD1 3.83Å; Y564-L615 HydrophobicContact CE1-CD1 3.81Å; Y564-L615 HydrophobicContact CE2-CD1 3.49Å; Y564-L615 VanDerWaalsContact CE2-CD1 3.49Å; Y564-L615 HydrophobicContact CE2-CG 4Å; Y564-L615 HydrophobicContact CG-CD1 4.11Å; Y564-L615 VanDerWaalsContact CZ-CD1 3.5Å; Y564-L618 HydrophobicContact CD2-CB 3.77Å; Y564-L618 HydrophobicContact CE2-CB 4.44Å; Y564-H619 HydrophobicContact CE2-CB 3.78Å; Y564-H619 AromaticContact CE2-ND1 3.81Å; Y564-H619 AromaticContact CZ-ND1 3.74Å; Y564-H619 PolarHBondContact OH-ND1 3.03Å; Y564-L622 HydrophobicContact CD1-CD1 4.43Å; Y564-L622 HydrophobicContact CD2-CD1 3.49Å; Y564-L622 VanDerWaalsContact CD2-CD1 3.49Å; Y564-L622 HydrophobicContact CE2-CD1 4.05Å; Y564-L622 HydrophobicContact CG-CD1 3.71Å; Y564-L631 HydrophobicContact CD1-CD1 3.4Å; Y564-L631 HydrophobicContact CD1-CD2 4.35Å; Y564-L631 HydrophobicContact CD1-CG 4.48Å; Y564-L631 HydrophobicContact CE1-CD1 3.72Å; Y564-L631 HydrophobicContact CE1-CD2 3.87Å; Y564-L631 HydrophobicContact CE1-CG 4.36Å; Y564-L631 HydrophobicContact CG-CD1 4.08Å; Y564-F640 AromaticContact CE1-CE2 3.99Å; Y564-F640 HydrophobicContact CE1-CE2 3.99Å |
| 565 | K | 97.6 | Very high | 94.6 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 28% | 0.278 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.2 | -179.7 | -179.2 | -172.6 | 143 | 0 | 112.6 | L561 V562 A563 H568 K569 F634 V635 | L561-K565 PolarHBondContact O-N 3.17Å; L561-K565 VanDerWaalsContact O-N 3.08Å; V562-K565 WeakPolarHBondContact O-CB 3.46Å; V562-K565 PolarHBondContact O-N 3.49Å; A563-K565 PolarHBondContact O-N 2.81Å; K565-H568 PolarHBondContact O-N 2.96Å; K565-K569 VanDerWaalsContact O-CG 3.3Å; K565-K569 WeakPolarHBondContact O-CG 3.33Å; K565-K569 PolarHBondContact O-N 3.29Å; K565-F634 HydrophobicContact CB-CB 4.25Å; K565-F634 HydrophobicContact CD-CB 4.14Å; K565-F634 HydrophobicContact CD-CD1 4.39Å; K565-F634 WeakPolarHBondContact CD-O 3.45Å; K565-F634 WeakPolarHBondContact CE-O 3.41Å; K565-F634 PolarHBondContact NZ-O 3.49Å; K565-V635 HydrophobicContact CB-CG2 4.16Å; K565-V635 HydrophobicContact CG-CG2 4.18Å |
| 566 | E | 97.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 16% | 0.164 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.4 | -37.4 | 178.5 | -62.7 | -50.5 | 124.4 | 0 | 0 | 112.1 | R503 L506 V562 A563 K569 A570 | R503-E566 HydrophobicContact CG-CB 4.38Å; R503-E566 HydrophobicContact CG-CG 4.22Å; L506-E566 HydrophobicContact CD1-CB 4.05Å; V562-E566 PolarHBondContact O-N 3.25Å; A563-E566 PolarHBondContact O-N 3.4Å; E566-K569 IonicContact OE1-NZ 2.67Å; E566-K569 PolarHBondContact OE1-NZ 3.31Å; E566-K569 IonicContact OE2-NZ 2.9Å; E566-A570 PolarHBondContact O-N 3.17Å; E566-A570 VanDerWaalsContact O-N 3.09Å |
| 567 | C | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 173.3 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | L506 A563 Y564 A570 V571 L615 L618 | L506-C567 HydrophobicContact CD1-CB 4.33Å; L506-C567 HydrophobicContact CD2-CB 4.16Å; A563-C567 WeakPolarHBondContact O-CB 3.45Å; A563-C567 PolarHBondContact O-N 3.1Å; Y564-C567 PolarHBondContact O-N 2.88Å; C567-A570 PolarHBondContact O-N 3.29Å; C567-V571 WeakPolarHBondContact O-CG2 3.42Å; C567-V571 PolarHBondContact O-N 3.14Å; C567-L615 HydrophobicContact CB-CD1 4.01Å; C567-L618 HydrophobicContact CB-CD1 3.89Å |
| 568 | H | 96.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 176.2 | 173.6 | -89.5 | 0 | 0 | 0 | 111.2 | Y564 K565 A570 V571 M572 L615 V635 D639 F640 | Y564-H568 HydrophobicContact CE1-CB 4.41Å; Y564-H568 VanDerWaalsContact O-CB 3.32Å; Y564-H568 WeakPolarHBondContact O-CB 3.47Å; Y564-H568 PolarHBondContact O-N 2.8Å; K565-H568 PolarHBondContact O-N 2.96Å; H568-A570 PolarHBondContact O-N 3.28Å; H568-V571 PolarHBondContact O-N 2.99Å; H568-V571 VanDerWaalsContact O-N 3.14Å; H568-M572 VanDerWaalsContact CE1-CG 3.44Å; H568-M572 WeakPolarHBondContact CE1-CG 3.45Å; H568-M572 WeakPolarHBondContact O-CG 3.31Å; H568-M572 PolarHBondContact O-N 3.08Å; H568-L615 HydrophobicContact CB-CD1 4.02Å; H568-L615 HydrophobicContact CB-CD2 4.47Å; H568-V635 HydrophobicContact CB-CG2 4.37Å; H568-D639 PolarHBondContact CE1-O 3.29Å; H568-F640 PolarHBondContact NE2-O 2.94Å; H568-F640 VanDerWaalsContact NE2-O 3.07Å |
| 569 | K | 95.3 | Very high | 88.2 | Confident | 76 Ų | 76 | 33.7 Ų | 33.7 | 33% | 0.33 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -53.8 | -41.6 | 173.5 | -74.3 | 168.5 | 177.4 | 175 | 0 | 112.3 | K565 E566 M572 R573 | K565-K569 VanDerWaalsContact O-CG 3.3Å; K565-K569 WeakPolarHBondContact O-CG 3.33Å; K565-K569 PolarHBondContact O-N 3.29Å; E566-K569 IonicContact OE1-NZ 2.67Å; E566-K569 PolarHBondContact OE1-NZ 3.31Å; E566-K569 IonicContact OE2-NZ 2.9Å; K569-M572 PolarHBondContact O-N 2.83Å; K569-R573 VanDerWaalsContact O-CG 3.27Å; K569-R573 WeakPolarHBondContact O-CG 3.48Å; K569-R573 PolarHBondContact O-N 3.08Å |
| 570 | A | 95.7 | Very high | 86.2 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E566 C567 H568 M572 R573 C574 L611 | E566-A570 PolarHBondContact O-N 3.17Å; E566-A570 VanDerWaalsContact O-N 3.09Å; C567-A570 PolarHBondContact O-N 3.29Å; H568-A570 PolarHBondContact O-N 3.28Å; A570-M572 VanDerWaalsContact C-N 3.35Å; A570-M572 PolarHBondContact O-N 3.01Å; A570-R573 WeakPolarHBondContact O-CB 3.32Å; A570-R573 PolarHBondContact O-N 3.09Å; A570-C574 PolarHBondContact O-N 3.47Å; A570-C574 VanDerWaalsContact O-N 3.08Å; A570-C574 PolarHBondContact O-SG 2.83Å; A570-L611 HydrophobicContact CB-CD1 3.97Å; A570-L611 HydrophobicContact CB-CD2 3.87Å; A570-L611 HydrophobicContact CB-CG 4.41Å |
| 571 | V | 94.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 173 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | C567 H568 R573 C574 S575 L611 L615 L645 | C567-V571 WeakPolarHBondContact O-CG2 3.42Å; C567-V571 PolarHBondContact O-N 3.14Å; H568-V571 PolarHBondContact O-N 2.99Å; H568-V571 VanDerWaalsContact O-N 3.14Å; V571-R573 VanDerWaalsContact C-N 3.32Å; V571-R573 PolarHBondContact O-N 2.93Å; V571-C574 PolarHBondContact O-N 3.44Å; V571-S575 WeakPolarHBondContact O-CB 3.35Å; V571-S575 PolarHBondContact O-N 2.86Å; V571-S575 PolarHBondContact O-OG 2.9Å; V571-L611 HydrophobicContact CG2-CD2 4.27Å; V571-L611 HydrophobicContact CG2-CG 3.78Å; V571-L615 HydrophobicContact CB-CD2 4.46Å; V571-L615 HydrophobicContact CG2-CB 4.29Å; V571-L615 HydrophobicContact CG2-CD2 4.07Å; V571-L645 HydrophobicContact CG1-CD2 3.73Å |
| 572 | M | 92.1 | Very high | 83.3 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -36.5 | 179.8 | -66.5 | -50.9 | -65.4 | 0 | 0 | 112 | H568 K569 A570 S575 T576 Q641 V644 L645 | H568-M572 VanDerWaalsContact CE1-CG 3.44Å; H568-M572 WeakPolarHBondContact CE1-CG 3.45Å; H568-M572 WeakPolarHBondContact O-CG 3.31Å; H568-M572 PolarHBondContact O-N 3.08Å; K569-M572 PolarHBondContact O-N 2.83Å; A570-M572 VanDerWaalsContact C-N 3.35Å; A570-M572 PolarHBondContact O-N 3.01Å; M572-S575 CarbonylContact O-C 3.35Å; M572-S575 PolarHBondContact O-N 3.27Å; M572-T576 WeakPolarHBondContact O-CG2 3.44Å; M572-T576 PolarHBondContact O-N 3.07Å; M572-Q641 HydrophobicContact CE-CB 3.7Å; M572-Q641 HydrophobicContact CE-CG 4.07Å; M572-Q641 VanDerWaalsContact CE-OE1 3.23Å; M572-Q641 HydrophobicContact SD-CB 4.42Å; M572-V644 HydrophobicContact CE-CB 4.17Å; M572-V644 HydrophobicContact CE-CG1 4.02Å; M572-V644 HydrophobicContact CE-CG2 4.42Å; M572-V644 HydrophobicContact SD-CB 4.37Å; M572-V644 HydrophobicContact SD-CG1 4.12Å; M572-L645 HydrophobicContact SD-CD2 3.88Å |
| 573 | R | 90.3 | Very high | 82.6 | Confident | 171 Ų | 171 | 49.9 Ų | 49.9 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.3 | -48.5 | 172.4 | -76 | 169.9 | -175.7 | 171.6 | 1.8 | 112.1 | K569 A570 V571 S575 T576 | K569-R573 VanDerWaalsContact O-CG 3.27Å; K569-R573 WeakPolarHBondContact O-CG 3.48Å; K569-R573 PolarHBondContact O-N 3.08Å; A570-R573 WeakPolarHBondContact O-CB 3.32Å; A570-R573 PolarHBondContact O-N 3.09Å; V571-R573 VanDerWaalsContact C-N 3.32Å; V571-R573 PolarHBondContact O-N 2.93Å; R573-S575 PolarHBondContact O-N 2.77Å; R573-T576 WeakPolarHBondContact O-CB 3.31Å; R573-T576 WeakPolarHBondContact O-CG2 3.43Å; R573-T576 PolarHBondContact O-N 3.21Å; R573-T576 VanDerWaalsContact O-N 3.14Å; R573-T576 PolarHBondContact O-OG1 3.42Å |
| 574 | C | 88.5 | Confident | 81.8 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -35.2 | 174.9 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | Q513 A570 V571 T576 | Q513-C574 HydrophobicContact CG-CB 3.96Å; A570-C574 PolarHBondContact O-N 3.47Å; A570-C574 VanDerWaalsContact O-N 3.08Å; A570-C574 PolarHBondContact O-SG 2.83Å; V571-C574 PolarHBondContact O-N 3.44Å; C574-T576 VanDerWaalsContact C-N 3.28Å; C574-T576 PolarHBondContact O-N 3.21Å |
| 575 | S | 81.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 1.2 | -178.9 | -50.7 | 0 | 0 | 0 | 0 | 114.2 | V571 M572 R573 S577 F578 | V571-S575 WeakPolarHBondContact O-CB 3.35Å; V571-S575 PolarHBondContact O-N 2.86Å; V571-S575 PolarHBondContact O-OG 2.9Å; M572-S575 CarbonylContact O-C 3.35Å; M572-S575 PolarHBondContact O-N 3.27Å; R573-S575 PolarHBondContact O-N 2.77Å; S575-S577 PolarHBondContact O-N 2.74Å; S575-F578 VanDerWaalsContact O-CB 3.3Å; S575-F578 WeakPolarHBondContact O-CB 3.3Å; S575-F578 PolarHBondContact O-N 3.22Å; S575-F578 VanDerWaalsContact O-N 3.12Å |
| 576 | T | 65.5 | Low | 80.7 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | -177.7 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | M572 R573 C574 F578 I579 | M572-T576 WeakPolarHBondContact O-CG2 3.44Å; M572-T576 PolarHBondContact O-N 3.07Å; R573-T576 WeakPolarHBondContact O-CB 3.31Å; R573-T576 WeakPolarHBondContact O-CG2 3.43Å; R573-T576 PolarHBondContact O-N 3.21Å; R573-T576 VanDerWaalsContact O-N 3.14Å; R573-T576 PolarHBondContact O-OG1 3.42Å; C574-T576 VanDerWaalsContact C-N 3.28Å; C574-T576 PolarHBondContact O-N 3.21Å; T576-F578 PolarHBondContact O-N 2.86Å; T576-I579 WeakPolarHBondContact O-CB 3.41Å; T576-I579 PolarHBondContact O-N 3.22Å |
| 577 | S | 60.1 | Low | 80.2 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.2 | -32.3 | 173.3 | 58.3 | 0 | 0 | 0 | 0 | 112 | S575 I579 | S575-S577 PolarHBondContact O-N 2.74Å; S577-I579 VanDerWaalsContact C-N 3.28Å; S577-I579 PolarHBondContact O-N 3.4Å |
| 578 | F | 56.9 | Low | 79.6 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.7 | -22.4 | 173.4 | -176.1 | -123.6 | 0 | 0 | 0 | 111.8 | S575 T576 S580 K596 E647 R651 | S575-F578 VanDerWaalsContact O-CB 3.3Å; S575-F578 WeakPolarHBondContact O-CB 3.3Å; S575-F578 PolarHBondContact O-N 3.22Å; S575-F578 VanDerWaalsContact O-N 3.12Å; T576-F578 PolarHBondContact O-N 2.86Å; F578-S580 PolarHBondContact O-N 3.21Å; F578-K596 HydrophobicContact CD2-CB 4.47Å; F578-K596 HydrophobicContact CD2-CD 4.19Å; F578-K596 HydrophobicContact CE1-CD 4.31Å; F578-K596 HydrophobicContact CE1-CG 4.3Å; F578-K596 HydrophobicContact CE2-CB 3.59Å; F578-K596 HydrophobicContact CE2-CD 3.99Å; F578-K596 HydrophobicContact CE2-CG 4Å; F578-K596 HydrophobicContact CG-CD 4.45Å; F578-K596 HydrophobicContact CZ-CB 3.72Å; F578-K596 HydrophobicContact CZ-CD 4.05Å; F578-K596 HydrophobicContact CZ-CG 3.78Å; F578-K596 WeakPolarHBondContact O-CD 3.46Å; F578-K596 WeakPolarHBondContact O-CE 3.38Å; F578-K596 PolarHBondContact O-NZ 3Å; F578-E647 HydrophobicContact CD1-CG 4.47Å; F578-E647 HydrophobicContact CE1-CB 4.48Å; F578-E647 HydrophobicContact CE1-CG 3.64Å; F578-E647 VanDerWaalsContact CZ-CD 3.5Å; F578-E647 HydrophobicContact CZ-CG 3.9Å; F578-R651 VanDerWaalsContact CZ-NH2 3.34Å |
| 579 | I | 57.9 | Low | 78.9 | Confident | 86 Ų | 86 | 62 Ų | 62 | 44% | 0.441 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.2 | -27.6 | -172.6 | -62.8 | 176.5 | 0 | 0 | 0 | 113 | T576 S577 | T576-I579 WeakPolarHBondContact O-CB 3.41Å; T576-I579 PolarHBondContact O-N 3.22Å; S577-I579 VanDerWaalsContact C-N 3.28Å; S577-I579 PolarHBondContact O-N 3.4Å |
| 580 | S | 54.4 | Low | 78.5 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3.4 | -168.8 | 60.6 | 0 | 0 | 0 | 0 | 116.9 | F578 | F578-S580 PolarHBondContact O-N 3.21Š|
| 581 | S | 62.2 | Low | 78.3 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 34% | 0.336 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -88 | 167.3 | -174.6 | 67.4 | 0 | 0 | 0 | 0 | 114.9 | K596 | S581-K596 VanDerWaalsContact OG-CD 3.29Å; S581-K596 WeakPolarHBondContact OG-CD 3.42Å |
| 582 | S | 71.6 | Confident | 78.1 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 143.4 | 178 | 54 | 0 | 0 | 0 | 0 | 112.2 | S597 | S582-S597 PolarHBondContact O-N 3.12Š|
| 583 | K | 81.3 | Confident | 78 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 146.9 | -178.9 | -59 | -173.4 | -174.9 | -173.6 | 0 | 112.1 | E594 | K583-E594 HydrophobicContact CB-CG 4.26Å; K583-E594 HydrophobicContact CD-CG 3.87Å; K583-E594 WeakPolarHBondContact CD-OE1 3.3Å; K583-E594 WeakPolarHBondContact CE-OE1 3.5Å; K583-E594 IonicContact NZ-OE1 2.68Å; K583-E594 PolarHBondContact NZ-OE1 3.12Å |
| 584 | T | 82.2 | Confident | 77.8 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.4 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 108.4 | T595 S597 | T584-T595 PolarHBondContact N-O 3.23Å; T584-T595 PolarHBondContact O-N 3.44Å; T584-T595 VanDerWaalsContact O-N 3.15Å; T584-S597 WeakPolarHBondContact OG1-CB 3.39Å |
| 585 | V | 86 | Confident | 77.5 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.4 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 109 | Q587 L593 E594 | V585-Q587 HydrophobicContact CG1-CG 3.97Å; V585-L593 WeakPolarHBondContact CA-O 3.37Å; V585-E594 HydrophobicContact CG2-CB 4.32Å; V585-E594 HydrophobicContact CG2-CG 4.14Å |
| 586 | V | 85.8 | Confident | 77.3 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.3 | 169.6 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | S592 L593 L709 Q713 A718 | V586-S592 WeakPolarHBondContact O-CA 3.31Å; V586-L593 PolarHBondContact N-O 3.14Å; V586-L593 PolarHBondContact O-N 3.38Å; V586-L709 HydrophobicContact CG1-CD2 4.18Å; V586-Q713 HydrophobicContact CG2-CB 4.28Å; V586-Q713 VanDerWaalsContact CG2-CD 3.44Å; V586-Q713 HydrophobicContact CG2-CG 4Å; V586-A718 HydrophobicContact CG1-CB 3.95Å |
| 587 | Q | 86.9 | Confident | 78.1 | Confident | 132 Ų | 132 | 62.7 Ų | 62.7 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.3 | 178.5 | -58.5 | -172.2 | -15.5 | 0 | 0 | 109.9 | V585 H591 N722 | V585-Q587 HydrophobicContact CG1-CG 3.97Å; Q587-H591 WeakPolarHBondContact CA-O 3.25Å; Q587-N722 PolarHBondContact O-ND2 3.49Å |
| 588 | S | 85.6 | Confident | 79.5 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 149.3 | 168.5 | -161.7 | 0 | 0 | 0 | 0 | 110.1 | G590 H591 N722 Y889 | S588-G590 PolarHBondContact O-N 3.35Å; S588-H591 PolarHBondContact N-O 2.9Å; S588-H591 PolarHBondContact O-N 3.23Å; S588-H591 VanDerWaalsContact O-O 3.14Å; S588-N722 WeakPolarHBondContact CB-OD1 3.41Å; S588-N722 PolarHBondContact OG-OD1 3.47Å; S588-Y889 WeakPolarHBondContact OG-CE1 3.48Å |
| 589 | C | 82.9 | Confident | 81.2 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 28.2 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 116.2 | H591 I886 Y889 | C589-H591 VanDerWaalsContact C-N 3.25Å; C589-H591 PolarHBondContact O-CD2 3.21Å; C589-H591 PolarHBondContact O-N 2.89Å; C589-I886 HydrophobicContact CB-CD1 3.93Å; C589-Y889 WeakPolarHBondContact SG-CB 3.47Å |
| 590 | G | 85.5 | Confident | 82.9 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 89% | 0.887 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -3.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S588 | S588-G590 PolarHBondContact O-N 3.35Š|
| 591 | H | 91.8 | Very high | 84.8 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 148.3 | 173.9 | -62 | -76.7 | 0 | 0 | 0 | 110.6 | Q587 S588 C589 N705 L709 D885 | Q587-H591 WeakPolarHBondContact CA-O 3.25Å; S588-H591 PolarHBondContact N-O 2.9Å; S588-H591 PolarHBondContact O-N 3.23Å; S588-H591 VanDerWaalsContact O-O 3.14Å; C589-H591 VanDerWaalsContact C-N 3.25Å; C589-H591 PolarHBondContact O-CD2 3.21Å; C589-H591 PolarHBondContact O-N 2.89Å; H591-N705 HydrophobicContact CB-CB 4.12Å; H591-N705 PolarHBondContact CE1-ND2 2.94Å; H591-L709 HydrophobicContact CB-CD1 4.03Å; H591-D885 IonicContact CD2-OD2 2.92Å; H591-D885 IonicContact CE1-OD2 3.95Å; H591-D885 IonicContact NE2-OD2 2.63Å; H591-D885 PolarHBondContact NE2-OD2 2.96Å |
| 592 | S | 91.4 | Very high | 86.2 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.6 | 176.7 | 61.9 | 0 | 0 | 0 | 0 | 112 | V586 | V586-S592 WeakPolarHBondContact O-CA 3.31Å |
| 593 | L | 89.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.1 | 170 | 178.9 | 67.8 | 0 | 0 | 0 | 108.8 | V585 V586 T595 K706 L709 L710 | V585-L593 WeakPolarHBondContact CA-O 3.37Å; V586-L593 PolarHBondContact N-O 3.14Å; V586-L593 PolarHBondContact O-N 3.38Å; L593-T595 HydrophobicContact CD2-CG2 3.73Å; L593-T595 HydrophobicContact CG-CG2 4.04Å; L593-K706 HydrophobicContact CD1-CB 4.29Å; L593-K706 HydrophobicContact CD1-CG 4.46Å; L593-L709 HydrophobicContact CB-CB 3.97Å; L593-L709 HydrophobicContact CB-CD1 4.07Å; L593-L709 HydrophobicContact CD2-CB 4.11Å; L593-L710 HydrophobicContact CD2-CB 3.63Å; L593-L710 HydrophobicContact CD2-CD1 4.12Å; L593-L710 HydrophobicContact CD2-CG 4.46Å |
| 594 | E | 86.7 | Confident | 87.8 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 97.7 | 169.4 | -176.3 | -167.7 | 150.4 | 0 | 0 | 107.5 | K583 V585 | K583-E594 HydrophobicContact CB-CG 4.26Å; K583-E594 HydrophobicContact CD-CG 3.87Å; K583-E594 WeakPolarHBondContact CD-OE1 3.3Å; K583-E594 WeakPolarHBondContact CE-OE1 3.5Å; K583-E594 IonicContact NZ-OE1 2.68Å; K583-E594 PolarHBondContact NZ-OE1 3.12Å; V585-E594 HydrophobicContact CG2-CB 4.32Å; V585-E594 HydrophobicContact CG2-CG 4.14Å |
| 595 | T | 81.9 | Confident | 88.3 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 172.9 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | T584 L593 L710 Q713 R714 | T584-T595 PolarHBondContact N-O 3.23Å; T584-T595 PolarHBondContact O-N 3.44Å; T584-T595 VanDerWaalsContact O-N 3.15Å; L593-T595 HydrophobicContact CD2-CG2 3.73Å; L593-T595 HydrophobicContact CG-CG2 4.04Å; T595-L710 HydrophobicContact CG2-CD1 3.95Å; T595-Q713 VanDerWaalsContact CG2-CD 3.41Å; T595-R714 PolarHBondContact OG1-NH2 3.27Å; T595-R714 VanDerWaalsContact OG1-NH2 3.11Å |
| 596 | K | 77.8 | Confident | 88.7 | Confident | 23 Ų | 23 | 47 Ų | 47 | 10% | 0.1 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 149.7 | -171 | -47.4 | -153.9 | -166.4 | 88.6 | 0 | 112.2 | F578 S581 Y598 R714 | F578-K596 HydrophobicContact CD2-CB 4.47Å; F578-K596 HydrophobicContact CD2-CD 4.19Å; F578-K596 HydrophobicContact CE1-CD 4.31Å; F578-K596 HydrophobicContact CE1-CG 4.3Å; F578-K596 HydrophobicContact CE2-CB 3.59Å; F578-K596 HydrophobicContact CE2-CD 3.99Å; F578-K596 HydrophobicContact CE2-CG 4Å; F578-K596 HydrophobicContact CG-CD 4.45Å; F578-K596 HydrophobicContact CZ-CB 3.72Å; F578-K596 HydrophobicContact CZ-CD 4.05Å; F578-K596 HydrophobicContact CZ-CG 3.78Å; F578-K596 WeakPolarHBondContact O-CD 3.46Å; F578-K596 WeakPolarHBondContact O-CE 3.38Å; F578-K596 PolarHBondContact O-NZ 3Å; S581-K596 VanDerWaalsContact OG-CD 3.29Å; S581-K596 WeakPolarHBondContact OG-CD 3.42Å; K596-Y598 PolarHBondContact O-N 2.7Å; K596-Y598 VanDerWaalsContact O-N 3.13Å; K596-R714 PolarHBondContact O-NH1 2.81Å; K596-R714 PolarHBondContact O-NH2 3Å; K596-R714 VanDerWaalsContact O-NH2 3.07Å |
| 597 | S | 82.2 | Confident | 89.1 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | trans | -65.9 | 109.8 | 169.3 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | S582 T584 | S582-S597 PolarHBondContact O-N 3.12Å; T584-S597 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 598 | Y | 88.7 | Confident | 89.5 | Confident | 25 Ų | 25 | 40 Ų | 40 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | trans | -156.1 | 127.8 | 173.1 | -179.7 | -81.1 | 0 | 0 | 0 | 107.5 | K596 V600 D603 L604 R651 R714 | K596-Y598 PolarHBondContact O-N 2.7Å; K596-Y598 VanDerWaalsContact O-N 3.13Å; Y598-V600 HydrophobicContact CD1-CG2 4.48Å; Y598-V600 HydrophobicContact CE1-CG2 3.77Å; Y598-D603 VanDerWaalsContact CA-OD2 3.31Å; Y598-D603 WeakPolarHBondContact CA-OD2 3.25Å; Y598-D603 HydrophobicContact CD2-CB 3.86Å; Y598-D603 HydrophobicContact CE1-CB 4.44Å; Y598-D603 HydrophobicContact CE2-CB 3.48Å; Y598-D603 VanDerWaalsContact CE2-CB 3.48Å; Y598-L604 PolarHBondContact OH-O 2.89Å; Y598-R651 HydrophobicContact CD1-CG 4.06Å; Y598-R651 HydrophobicContact CE1-CB 4.34Å; Y598-R651 VanDerWaalsContact CE1-CD 3.42Å; Y598-R651 HydrophobicContact CE1-CG 3.5Å; Y598-R651 VanDerWaalsContact CE1-CG 3.5Å; Y598-R714 PolarHBondContact O-NH1 3.27Å | ||
| 599 | R | 92.4 | Very high | 90 | Very high | 98 Ų | 98 | 39.4 Ų | 39.4 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | trans | -128.5 | 114.9 | -176.4 | -67 | 179.7 | 66.5 | -154.5 | -7.1 | 108.7 | S601 E602 D603 E716 | R599-S601 PolarHBondContact O-N 3.09Å; R599-S601 VanDerWaalsContact O-N 3.12Å; R599-E602 HydrophobicContact CB-CB 4.35Å; R599-E602 VanDerWaalsContact CZ-CD 3.46Å; R599-E602 IonicContact CZ-OE1 3.33Å; R599-E602 IonicContact CZ-OE2 2.66Å; R599-E602 IonicContact NE-OE2 3.72Å; R599-E602 IonicContact NH1-OE1 2.67Å; R599-E602 PolarHBondContact NH1-OE1 3.12Å; R599-E602 IonicContact NH1-OE2 3.44Å; R599-E602 PolarHBondContact NH1-OE2 3.2Å; R599-E602 IonicContact NH2-OE1 3.79Å; R599-E602 PolarHBondContact O-N 2.79Å; R599-D603 PolarHBondContact N-OD2 3.12Å; R599-D603 WeakPolarHBondContact O-CB 3.43Å; R599-D603 PolarHBondContact O-N 3.23Å; R599-E716 IonicContact CZ-OE2 2.68Å; R599-E716 IonicContact NE-OE2 3.32Å; R599-E716 PolarHBondContact NE-OE2 2.91Å; R599-E716 IonicContact NH2-OE2 2.66Å; R599-E716 PolarHBondContact NH2-OE2 3.37Å | ||
| 600 | V | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.1 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 111 | Y598 E602 V605 R651 V654 L655 W664 | Y598-V600 HydrophobicContact CD1-CG2 4.48Å; Y598-V600 HydrophobicContact CE1-CG2 3.77Å; V600-E602 PolarHBondContact O-N 3.42Å; V600-V605 HydrophobicContact CG1-CG1 4.39Å; V600-R651 HydrophobicContact CG2-CB 4.05Å; V600-R651 HydrophobicContact CG2-CG 4.15Å; V600-V654 HydrophobicContact CB-CB 4.43Å; V600-V654 HydrophobicContact CB-CG1 3.67Å; V600-V654 HydrophobicContact CG1-CG1 3.98Å; V600-V654 HydrophobicContact CG2-CB 3.97Å; V600-V654 HydrophobicContact CG2-CG1 3.66Å; V600-L655 HydrophobicContact CG1-CB 3.99Å; V600-W664 HydrophobicContact CG1-CZ2 4.23Å; V600-W664 VanDerWaalsContact O-CZ2 3.24Å; V600-W664 WeakPolarHBondContact O-CZ2 3.25Å |
| 601 | S | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5.9 | 177.8 | 67 | 0 | 0 | 0 | 0 | 115.5 | R520 R599 Q658 E716 | R520-S601 WeakPolarHBondContact CD-O 2.99Å; R599-S601 PolarHBondContact O-N 3.09Å; R599-S601 VanDerWaalsContact O-N 3.12Å; S601-Q658 VanDerWaalsContact CA-OE1 3.32Å; S601-E716 WeakPolarHBondContact CB-OE1 3.49Å; S601-E716 PolarHBondContact N-OE1 3.42Å; S601-E716 PolarHBondContact OG-OE1 3.23Å; S601-E716 PolarHBondContact OG-OE2 2.87Å |
| 602 | E | 92.7 | Very high | 91.3 | Very high | 91 Ų | 91 | 30 Ų | 30 | 43% | 0.425 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | -29.5 | -174.8 | -67.7 | -177.8 | 164.5 | 0 | 0 | 114.6 | R519 R599 V600 | R519-E602 PolarHBondContact NE-O 3.08Å; R519-E602 PolarHBondContact NH2-O 3.38Å; R599-E602 HydrophobicContact CB-CB 4.35Å; R599-E602 VanDerWaalsContact CZ-CD 3.46Å; R599-E602 IonicContact CZ-OE1 3.33Å; R599-E602 IonicContact CZ-OE2 2.66Å; R599-E602 IonicContact NE-OE2 3.72Å; R599-E602 IonicContact NH1-OE1 2.67Å; R599-E602 PolarHBondContact NH1-OE1 3.12Å; R599-E602 IonicContact NH1-OE2 3.44Å; R599-E602 PolarHBondContact NH1-OE2 3.2Å; R599-E602 IonicContact NH2-OE1 3.79Å; R599-E602 PolarHBondContact O-N 2.79Å; V600-E602 PolarHBondContact O-N 3.42Å |
| 603 | D | 92.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 27 Ų | 27 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -93.6 | 173.3 | -176 | -67.1 | -48.9 | 0 | 0 | 0 | 113 | Y598 R599 | Y598-D603 VanDerWaalsContact CA-OD2 3.31Å; Y598-D603 WeakPolarHBondContact CA-OD2 3.25Å; Y598-D603 HydrophobicContact CD2-CB 3.86Å; Y598-D603 HydrophobicContact CE1-CB 4.44Å; Y598-D603 HydrophobicContact CE2-CB 3.48Å; Y598-D603 VanDerWaalsContact CE2-CB 3.48Å; R599-D603 PolarHBondContact N-OD2 3.12Å; R599-D603 WeakPolarHBondContact O-CB 3.43Å; R599-D603 PolarHBondContact O-N 3.23Å |
| 604 | L | 92.1 | Very high | 92 | Very high | 81 Ų | 81 | 26.9 Ų | 26.9 | 42% | 0.424 | 13% | 0.133 | S | C | . | . | trans | -76.3 | 131.7 | 175.6 | -77.1 | 169.8 | 0 | 0 | 0 | 111.2 | E517 I518 R519 Y598 | E517-L604 HydrophobicContact CB-CB 4Å; E517-L604 HydrophobicContact CB-CD2 4Å; E517-L604 HydrophobicContact CB-CG 4.45Å; I518-L604 WeakPolarHBondContact O-CA 3.25Å; R519-L604 HydrophobicContact CB-CD2 3.99Å; Y598-L604 PolarHBondContact OH-O 2.89Å | ||
| 605 | V | 93.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -139.9 | 151.9 | -178.4 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | E517 I518 V600 R651 L655 W664 | E517-V605 CarbonylContact C-O 3.57Å; E517-V605 WeakPolarHBondContact CA-O 3.18Å; I518-V605 HydrophobicContact CG1-CG1 3.96Å; I518-V605 WeakPolarHBondContact CG1-O 3.3Å; I518-V605 PolarHBondContact N-O 3.2Å; I518-V605 PolarHBondContact O-N 3.23Å; V600-V605 HydrophobicContact CG1-CG1 4.39Å; V605-R651 HydrophobicContact CG2-CB 4.12Å; V605-L655 HydrophobicContact CG1-CB 4.48Å; V605-L655 HydrophobicContact CG1-CD1 4.07Å; V605-L655 HydrophobicContact CG1-CD2 3.98Å; V605-L655 HydrophobicContact CG1-CG 4.4Å; V605-L655 HydrophobicContact CG2-CB 4.18Å; V605-L655 HydrophobicContact CG2-CD2 4.12Å; V605-W664 HydrophobicContact CG1-CH2 3.76Å; V605-W664 HydrophobicContact CG1-CZ2 4.26Å |
| 606 | S | 93.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | trans | -141.3 | 149.1 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | M515 H608 | M515-S606 VanDerWaalsContact O-CB 3.29Å; M515-S606 WeakPolarHBondContact O-CB 3.49Å; M515-S606 PolarHBondContact O-OG 2.94Å; S606-H608 PolarHBondContact OG-N 3.19Å | ||
| 607 | I | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -86.5 | -8.2 | 172.7 | 64.6 | 156.8 | 0 | 0 | 0 | 113.2 | I536 L609 R613 L655 Q674 M687 | I536-I607 HydrophobicContact CD1-CD1 4.19Å; I607-L609 PolarHBondContact O-N 2.67Å; I607-R613 VanDerWaalsContact O-CZ 3.29Å; I607-R613 PolarHBondContact O-NH1 3.24Å; I607-R613 PolarHBondContact O-NH2 3.49Å; I607-L655 HydrophobicContact CG2-CD2 3.86Å; I607-Q674 HydrophobicContact CD1-CB 3.73Å; I607-Q674 HydrophobicContact CD1-CG 4.35Å; I607-Q674 WeakPolarHBondContact CD1-O 3.29Å; I607-M687 HydrophobicContact CD1-CE 4.26Å |
| 608 | H | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -92.8 | 87.9 | -174.1 | -62 | -79 | 0 | 0 | 0 | 110.8 | G514 M515 S606 P610 | G514-H608 PolarHBondContact N-O 3Å; M515-H608 HydrophobicContact CE-CB 3.77Å; M515-H608 VanDerWaalsContact CE-CG 3.48Å; M515-H608 VanDerWaalsContact CE-ND1 3.3Å; M515-H608 WeakPolarHBondContact CE-ND1 3.35Å; M515-H608 HydrophobicContact CG-CB 3.58Å; M515-H608 HydrophobicContact SD-CB 4.38Å; S606-H608 PolarHBondContact OG-N 3.19Å; H608-P610 WeakPolarHBondContact O-CD 3.41Å | ||
| 609 | L | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | trans | -121.7 | 41.7 | -172.9 | -50.1 | 174.9 | 0 | 0 | 0 | 113.8 | Q513 I607 L611 S612 R613 Y648 C652 | Q513-L609 VanDerWaalsContact OE1-CA 3.32Å; Q513-L609 PolarHBondContact OE1-O 3.33Å; I607-L609 PolarHBondContact O-N 2.67Å; L609-L611 PolarHBondContact O-N 3.29Å; L609-L611 VanDerWaalsContact O-N 3.17Å; L609-S612 PolarHBondContact O-N 3.28Å; L609-R613 VanDerWaalsContact O-CG 3.27Å; L609-R613 WeakPolarHBondContact O-CG 3.24Å; L609-R613 PolarHBondContact O-N 3.38Å; L609-R613 VanDerWaalsContact O-N 3.09Å; L609-Y648 WeakPolarHBondContact CD1-O 3.45Å; L609-Y648 HydrophobicContact CD2-CD1 3.69Å; L609-Y648 HydrophobicContact CD2-CG 4.14Å; L609-C652 HydrophobicContact CD1-CB 3.83Å | ||
| 610 | P | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.5 | -27.9 | -168 | 27.9 | -36.3 | 0 | 0 | 0 | 113.5 | L509 M512 L546 H608 R613 T614 | L509-P610 HydrophobicContact CD2-CB 4.24Å; L509-P610 HydrophobicContact CD2-CG 4.35Å; M512-P610 HydrophobicContact CB-CG 3.47Å; M512-P610 VanDerWaalsContact CB-CG 3.47Å; M512-P610 HydrophobicContact CE-CG 4.15Å; M512-P610 HydrophobicContact CG-CG 4.35Å; M512-P610 HydrophobicContact SD-CG 3.99Å; L546-P610 HydrophobicContact CD1-CB 4.34Å; H608-P610 WeakPolarHBondContact O-CD 3.41Å; P610-R613 PolarHBondContact O-N 2.94Å; P610-T614 WeakPolarHBondContact O-CB 3.45Å; P610-T614 PolarHBondContact O-N 3.14Å; P610-T614 PolarHBondContact O-OG1 3.34Å |
| 611 | L | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -72.5 | -44.8 | 179.8 | -174.1 | 64.7 | 0 | 0 | 0 | 111.6 | L506 L509 Q513 A570 V571 L609 R613 T614 L615 | L506-L611 HydrophobicContact CD2-CD1 3.55Å; L509-L611 HydrophobicContact CB-CB 4.12Å; L509-L611 HydrophobicContact CB-CD1 3.98Å; L509-L611 HydrophobicContact CD1-CD1 4.43Å; Q513-L611 HydrophobicContact CB-CB 3.95Å; Q513-L611 HydrophobicContact CB-CD2 4.3Å; Q513-L611 HydrophobicContact CG-CB 4.17Å; Q513-L611 HydrophobicContact CG-CD2 4.42Å; A570-L611 HydrophobicContact CB-CD1 3.97Å; A570-L611 HydrophobicContact CB-CD2 3.87Å; A570-L611 HydrophobicContact CB-CG 4.41Å; V571-L611 HydrophobicContact CG2-CD2 4.27Å; V571-L611 HydrophobicContact CG2-CG 3.78Å; L609-L611 PolarHBondContact O-N 3.29Å; L609-L611 VanDerWaalsContact O-N 3.17Å; L611-R613 VanDerWaalsContact C-N 3.29Å; L611-R613 PolarHBondContact O-N 2.83Å; L611-T614 PolarHBondContact O-N 2.85Å; L611-L615 PolarHBondContact O-N 3.12Å |
| 612 | S | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 171.8 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | Q513 L609 L615 A616 M694 | Q513-S612 PolarHBondContact NE2-OG 3.42Å; Q513-S612 VanDerWaalsContact OE1-N 3.12Å; L609-S612 PolarHBondContact O-N 3.28Å; S612-L615 WeakPolarHBondContact O-CB 3.25Å; S612-L615 PolarHBondContact O-N 3.15Å; S612-A616 PolarHBondContact O-N 3.27Å; S612-A616 VanDerWaalsContact O-N 3.13Å; S612-M694 WeakPolarHBondContact O-CE 3.41Å |
| 613 | R | 97.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -71.5 | -34.1 | -178.8 | -66.1 | 177.9 | -174.4 | 142.2 | 3.5 | 112.9 | I607 L609 P610 L611 L615 A616 G617 E686 M687 K690 D691 | I607-R613 VanDerWaalsContact O-CZ 3.29Å; I607-R613 PolarHBondContact O-NH1 3.24Å; I607-R613 PolarHBondContact O-NH2 3.49Å; L609-R613 VanDerWaalsContact O-CG 3.27Å; L609-R613 WeakPolarHBondContact O-CG 3.24Å; L609-R613 PolarHBondContact O-N 3.38Å; L609-R613 VanDerWaalsContact O-N 3.09Å; P610-R613 PolarHBondContact O-N 2.94Å; L611-R613 VanDerWaalsContact C-N 3.29Å; L611-R613 PolarHBondContact O-N 2.83Å; R613-L615 VanDerWaalsContact C-N 3.35Å; R613-A616 PolarHBondContact O-N 3.46Å; R613-G617 PolarHBondContact O-N 2.94Å; R613-E686 WeakPolarHBondContact CD-O 3.41Å; R613-M687 PolarHBondContact NE-O 3.43Å; R613-K690 HydrophobicContact CB-CB 3.58Å; R613-K690 HydrophobicContact CB-CG 4.02Å; R613-K690 HydrophobicContact CG-CB 3.6Å; R613-D691 WeakPolarHBondContact CG-OD1 3.23Å; R613-D691 IonicContact CZ-OD1 2.88Å; R613-D691 IonicContact CZ-OD2 2.75Å; R613-D691 IonicContact NE-OD1 3.31Å; R613-D691 PolarHBondContact NE-OD1 2.75Å; R613-D691 IonicContact NE-OD2 3.94Å; R613-D691 PolarHBondContact NE-OD2 3.3Å; R613-D691 IonicContact NH2-OD1 2.75Å; R613-D691 PolarHBondContact NH2-OD1 2.93Å; R613-D691 IonicContact NH2-OD2 3.2Å; R613-D691 PolarHBondContact NH2-OD2 3.23Å |
| 614 | T | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 169.3 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L509 P610 L611 A616 G617 L618 | L509-T614 WeakPolarHBondContact CD1-OG1 3.39Å; P610-T614 WeakPolarHBondContact O-CB 3.45Å; P610-T614 PolarHBondContact O-N 3.14Å; P610-T614 PolarHBondContact O-OG1 3.34Å; L611-T614 PolarHBondContact O-N 2.85Å; T614-A616 VanDerWaalsContact C-N 3.34Å; T614-A616 PolarHBondContact O-N 2.94Å; T614-G617 PolarHBondContact O-N 3.11Å; T614-G617 VanDerWaalsContact O-N 3.17Å; T614-L618 HydrophobicContact CG2-CD1 4.18Å; T614-L618 HydrophobicContact CG2-CG 4.43Å; T614-L618 WeakPolarHBondContact O-CG 3.45Å; T614-L618 PolarHBondContact O-N 2.8Å |
| 615 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.9 | -170.5 | 68.4 | 0 | 0 | 0 | 112.2 | Y564 C567 H568 V571 L611 S612 R613 L618 H619 L645 M694 | Y564-L615 HydrophobicContact CD1-CD1 4.08Å; Y564-L615 HydrophobicContact CD2-CD1 3.83Å; Y564-L615 HydrophobicContact CE1-CD1 3.81Å; Y564-L615 HydrophobicContact CE2-CD1 3.49Å; Y564-L615 VanDerWaalsContact CE2-CD1 3.49Å; Y564-L615 HydrophobicContact CE2-CG 4Å; Y564-L615 HydrophobicContact CG-CD1 4.11Å; Y564-L615 VanDerWaalsContact CZ-CD1 3.5Å; C567-L615 HydrophobicContact CB-CD1 4.01Å; H568-L615 HydrophobicContact CB-CD1 4.02Å; H568-L615 HydrophobicContact CB-CD2 4.47Å; V571-L615 HydrophobicContact CB-CD2 4.46Å; V571-L615 HydrophobicContact CG2-CB 4.29Å; V571-L615 HydrophobicContact CG2-CD2 4.07Å; L611-L615 PolarHBondContact O-N 3.12Å; S612-L615 WeakPolarHBondContact O-CB 3.25Å; S612-L615 PolarHBondContact O-N 3.15Å; R613-L615 VanDerWaalsContact C-N 3.35Å; L615-L618 PolarHBondContact O-N 2.74Å; L615-H619 PolarHBondContact O-N 3.12Å; L615-L645 HydrophobicContact CD2-CD1 4.25Å; L615-L645 HydrophobicContact CD2-CD2 3.95Å; L615-M694 HydrophobicContact CB-CE 4.04Å; L615-M694 HydrophobicContact CD2-CE 4.12Å; L615-M694 HydrophobicContact CG-CE 4.27Å |
| 616 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | S612 R613 T614 H619 V620 K690 I693 M694 I697 | S612-A616 PolarHBondContact O-N 3.27Å; S612-A616 VanDerWaalsContact O-N 3.13Å; R613-A616 PolarHBondContact O-N 3.46Å; T614-A616 VanDerWaalsContact C-N 3.34Å; T614-A616 PolarHBondContact O-N 2.94Å; A616-H619 WeakPolarHBondContact O-CB 3.3Å; A616-H619 PolarHBondContact O-N 3.01Å; A616-V620 WeakPolarHBondContact O-CG2 3.32Å; A616-V620 PolarHBondContact O-N 3.37Å; A616-V620 VanDerWaalsContact O-N 3.07Å; A616-K690 HydrophobicContact CB-CD 4.41Å; A616-I693 HydrophobicContact CB-CG2 4.06Å; A616-M694 HydrophobicContact CB-CB 4.24Å; A616-M694 HydrophobicContact CB-CE 3.98Å; A616-I697 HydrophobicContact CB-CD1 4.19Å |
| 617 | G | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58 | -48 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R613 T614 H619 V620 R621 | R613-G617 PolarHBondContact O-N 2.94Å; T614-G617 PolarHBondContact O-N 3.11Å; T614-G617 VanDerWaalsContact O-N 3.17Å; G617-H619 VanDerWaalsContact C-N 3.33Å; G617-H619 PolarHBondContact O-N 3.47Å; G617-V620 PolarHBondContact O-N 2.97Å; G617-R621 WeakPolarHBondContact O-CG 3.5Å; G617-R621 PolarHBondContact O-N 2.99Å; G617-R621 VanDerWaalsContact O-N 3.14Å |
| 618 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 175.1 | -64.2 | 172.6 | 0 | 0 | 0 | 112.1 | F502 Q550 C553 L560 Y564 C567 T614 L615 V620 R621 L622 | F502-L618 HydrophobicContact CZ-CD1 4.17Å; Q550-L618 HydrophobicContact CB-CD2 4.33Å; Q550-L618 HydrophobicContact CG-CD2 4.06Å; Q550-L618 HydrophobicContact CG-CG 4.35Å; C553-L618 HydrophobicContact CB-CD2 3.95Å; L560-L618 HydrophobicContact CD1-CB 4.41Å; L560-L618 HydrophobicContact CD1-CD2 3.73Å; Y564-L618 HydrophobicContact CD2-CB 3.77Å; Y564-L618 HydrophobicContact CE2-CB 4.44Å; C567-L618 HydrophobicContact CB-CD1 3.89Å; T614-L618 HydrophobicContact CG2-CD1 4.18Å; T614-L618 HydrophobicContact CG2-CG 4.43Å; T614-L618 WeakPolarHBondContact O-CG 3.45Å; T614-L618 PolarHBondContact O-N 2.8Å; L615-L618 PolarHBondContact O-N 2.74Å; L618-V620 PolarHBondContact O-N 3.19Å; L618-R621 WeakPolarHBondContact O-CB 3.4Å; L618-R621 PolarHBondContact O-N 2.92Å; L618-L622 PolarHBondContact O-N 3.42Å |
| 619 | H | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.1 | -160 | 92 | 0 | 0 | 0 | 112.2 | Y564 L615 A616 G617 R621 L622 S623 I697 F875 | Y564-H619 HydrophobicContact CE2-CB 3.78Å; Y564-H619 AromaticContact CE2-ND1 3.81Å; Y564-H619 AromaticContact CZ-ND1 3.74Å; Y564-H619 PolarHBondContact OH-ND1 3.03Å; L615-H619 PolarHBondContact O-N 3.12Å; A616-H619 WeakPolarHBondContact O-CB 3.3Å; A616-H619 PolarHBondContact O-N 3.01Å; G617-H619 VanDerWaalsContact C-N 3.33Å; G617-H619 PolarHBondContact O-N 3.47Å; H619-R621 VanDerWaalsContact C-N 3.29Å; H619-R621 PolarHBondContact O-N 2.89Å; H619-L622 PolarHBondContact O-N 3.39Å; H619-S623 WeakPolarHBondContact O-CB 3.5Å; H619-S623 PolarHBondContact O-N 3.23Å; H619-I697 HydrophobicContact CB-CD1 3.5Å; H619-I697 VanDerWaalsContact CB-CD1 3.5Å; H619-I697 HydrophobicContact CB-CG1 4.35Å; H619-F875 AromaticContact CD2-CZ 3.91Å |
| 620 | V | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | A616 G617 L618 S623 R624 I693 V756 P757 V759 F875 | A616-V620 WeakPolarHBondContact O-CG2 3.32Å; A616-V620 PolarHBondContact O-N 3.37Å; A616-V620 VanDerWaalsContact O-N 3.07Å; G617-V620 PolarHBondContact O-N 2.97Å; L618-V620 PolarHBondContact O-N 3.19Å; V620-S623 PolarHBondContact O-N 3.02Å; V620-R624 WeakPolarHBondContact O-CB 3.42Å; V620-R624 PolarHBondContact O-N 3.44Å; V620-I693 HydrophobicContact CG2-CG2 3.52Å; V620-V756 HydrophobicContact CG1-CG1 4.16Å; V620-P757 WeakPolarHBondContact CG1-O 3.24Å; V620-V759 HydrophobicContact CG2-CG2 3.77Å; V620-F875 HydrophobicContact CG2-CZ 4.32Å |
| 621 | R | 96.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 11% | 0.106 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.2 | -44 | 173.3 | -62 | -62.4 | -178 | -97.7 | -1.2 | 112.1 | L547 A554 L560 G617 L618 H619 S623 R624 L625 | L547-R621 VanDerWaalsContact CD1-NH2 3.32Å; A554-R621 HydrophobicContact CB-CB 3.89Å; A554-R621 HydrophobicContact CB-CG 3.95Å; L560-R621 HydrophobicContact CD1-CB 4.22Å; L560-R621 HydrophobicContact CD2-CB 3.9Å; G617-R621 WeakPolarHBondContact O-CG 3.5Å; G617-R621 PolarHBondContact O-N 2.99Å; G617-R621 VanDerWaalsContact O-N 3.14Å; L618-R621 WeakPolarHBondContact O-CB 3.4Å; L618-R621 PolarHBondContact O-N 2.92Å; H619-R621 VanDerWaalsContact C-N 3.29Å; H619-R621 PolarHBondContact O-N 2.89Å; R621-S623 VanDerWaalsContact C-N 3.32Å; R621-S623 PolarHBondContact O-N 3.13Å; R621-R624 PolarHBondContact O-N 3Å; R621-L625 PolarHBondContact O-N 3.13Å; R621-L625 VanDerWaalsContact O-N 3.15Å |
| 622 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 174.4 | -76 | 170.6 | 0 | 0 | 0 | 111.2 | L560 L561 Y564 L618 H619 L625 G626 A627 V628 L631 | L560-L622 HydrophobicContact CB-CD2 4.39Å; L560-L622 HydrophobicContact CD2-CB 4.43Å; L560-L622 HydrophobicContact CD2-CD2 3.66Å; L560-L622 HydrophobicContact CD2-CG 3.84Å; L560-L622 HydrophobicContact CG-CD2 3.66Å; L560-L622 HydrophobicContact CG-CG 3.9Å; L561-L622 HydrophobicContact CD2-CD2 3.62Å; L561-L622 HydrophobicContact CG-CD2 3.92Å; Y564-L622 HydrophobicContact CD1-CD1 4.43Å; Y564-L622 HydrophobicContact CD2-CD1 3.49Å; Y564-L622 VanDerWaalsContact CD2-CD1 3.49Å; Y564-L622 HydrophobicContact CE2-CD1 4.05Å; Y564-L622 HydrophobicContact CG-CD1 3.71Å; L618-L622 PolarHBondContact O-N 3.42Å; H619-L622 PolarHBondContact O-N 3.39Å; L622-L625 PolarHBondContact O-N 3.23Å; L622-G626 PolarHBondContact O-N 3.33Å; L622-A627 HydrophobicContact CD2-CB 3.71Å; L622-A627 PolarHBondContact O-N 2.78Å; L622-V628 HydrophobicContact CB-CG2 3.67Å; L622-L631 HydrophobicContact CD1-CD1 4.19Å; L622-L631 HydrophobicContact CD1-CD2 4.31Å |
| 623 | S | 96.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | H619 V620 R621 L625 G626 G758 | H619-S623 WeakPolarHBondContact O-CB 3.5Å; H619-S623 PolarHBondContact O-N 3.23Å; V620-S623 PolarHBondContact O-N 3.02Å; R621-S623 VanDerWaalsContact C-N 3.32Å; R621-S623 PolarHBondContact O-N 3.13Å; S623-L625 VanDerWaalsContact C-N 3.25Å; S623-L625 PolarHBondContact O-N 2.99Å; S623-G626 PolarHBondContact O-N 3.14Å; S623-G626 VanDerWaalsContact O-N 3.08Å; S623-G758 WeakPolarHBondContact CB-O 3.34Å; S623-G758 PolarHBondContact OG-O 3.35Å |
| 624 | R | 94.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 33.4 Ų | 33.4 | 41% | 0.408 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.8 | -31.2 | 177.3 | -169.6 | -174.4 | 70.8 | -175.9 | 3.1 | 113.2 | V620 R621 | V620-R624 WeakPolarHBondContact O-CB 3.42Å; V620-R624 PolarHBondContact O-N 3.44Å; R621-R624 PolarHBondContact O-N 3Å |
| 625 | L | 93.7 | Very high | 95 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 38% | 0.382 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -90 | -7.7 | 177.1 | -64.2 | 179.4 | 0 | 0 | 0 | 113.7 | L560 R621 L622 S623 A627 | L560-L625 HydrophobicContact CD2-CD1 3.83Å; R621-L625 PolarHBondContact O-N 3.13Å; R621-L625 VanDerWaalsContact O-N 3.15Å; L622-L625 PolarHBondContact O-N 3.23Å; S623-L625 VanDerWaalsContact C-N 3.25Å; S623-L625 PolarHBondContact O-N 2.99Å; L625-A627 HydrophobicContact CB-CB 4.39Å; L625-A627 PolarHBondContact O-N 2.85Å |
| 626 | G | 93.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 35.7 Ų | 35.7 | 49% | 0.485 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -2.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | L622 S623 V628 S629 | L622-G626 PolarHBondContact O-N 3.33Å; S623-G626 PolarHBondContact O-N 3.14Å; S623-G626 VanDerWaalsContact O-N 3.08Å; G626-V628 VanDerWaalsContact C-N 3.26Å; G626-V628 PolarHBondContact O-N 3.39Å; G626-S629 PolarHBondContact O-OG 3.07Å |
| 627 | A | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -72.7 | -8.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E557 L622 L625 S629 R630 | E557-A627 HydrophobicContact CG-CB 3.74Å; L622-A627 HydrophobicContact CD2-CB 3.71Å; L622-A627 PolarHBondContact O-N 2.78Å; L625-A627 HydrophobicContact CB-CB 4.39Å; L625-A627 PolarHBondContact O-N 2.85Å; A627-S629 PolarHBondContact O-N 3.01Å; A627-S629 VanDerWaalsContact O-N 3.14Å; A627-R630 PolarHBondContact O-N 2.94Å |
| 628 | V | 92.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -56.1 | -30.3 | 174 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | L622 G626 R630 L631 A874 | L622-V628 HydrophobicContact CB-CG2 3.67Å; G626-V628 VanDerWaalsContact C-N 3.26Å; G626-V628 PolarHBondContact O-N 3.39Å; V628-R630 VanDerWaalsContact C-N 3.26Å; V628-R630 PolarHBondContact O-N 3.34Å; V628-L631 VanDerWaalsContact O-CB 3.24Å; V628-L631 WeakPolarHBondContact O-CB 3.49Å; V628-L631 PolarHBondContact O-N 3.38Å; V628-L631 VanDerWaalsContact O-N 3.15Å; V628-A874 HydrophobicContact CB-CB 4.28Å; V628-A874 HydrophobicContact CG1-CB 4.15Å; V628-A874 HydrophobicContact CG2-CB 4.02Å |
| 629 | S | 90.6 | Very high | 92.2 | Very high | 87 Ų | 87 | 56.8 Ų | 56.8 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -55.8 | -38.7 | 174.5 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | G626 A627 H632 | G626-S629 PolarHBondContact O-OG 3.07Å; A627-S629 PolarHBondContact O-N 3.01Å; A627-S629 VanDerWaalsContact O-N 3.14Å; S629-H632 PolarHBondContact O-CE1 3.13Å; S629-H632 VanDerWaalsContact O-CE1 3.31Å; S629-H632 PolarHBondContact O-ND1 2.89Å |
| 630 | R | 94.2 | Very high | 91.6 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -84.1 | -9.5 | 179.3 | -65.8 | -174.4 | 58.8 | -144.2 | -9.9 | 114.3 | E557 E558 L561 A627 V628 H632 E633 | E557-R630 WeakPolarHBondContact OE1-CD 3.38Å; E557-R630 IonicContact OE1-CZ 2.71Å; E557-R630 IonicContact OE1-NE 2.71Å; E557-R630 IonicContact OE1-NH1 2.69Å; E557-R630 PolarHBondContact OE1-NH1 3.34Å; E558-R630 IonicContact OE2-CZ 2.85Å; E558-R630 IonicContact OE2-NH1 3.47Å; E558-R630 PolarHBondContact OE2-NH1 2.9Å; E558-R630 IonicContact OE2-NH2 3.91Å; E558-R630 PolarHBondContact OE2-NH2 3.18Å; L561-R630 HydrophobicContact CD1-CB 4.11Å; L561-R630 HydrophobicContact CD2-CB 4.4Å; A627-R630 PolarHBondContact O-N 2.94Å; V628-R630 VanDerWaalsContact C-N 3.26Å; V628-R630 PolarHBondContact O-N 3.34Å; R630-H632 PolarHBondContact O-N 2.97Å; R630-E633 WeakPolarHBondContact CG-OE1 3.2Å; R630-E633 IonicContact CZ-OE2 2.77Å; R630-E633 IonicContact NE-OE1 3.22Å; R630-E633 IonicContact NE-OE2 2.7Å; R630-E633 PolarHBondContact NE-OE2 2.84Å; R630-E633 IonicContact NH2-OE2 3.38Å; R630-E633 PolarHBondContact NH2-OE2 3.07Å; R630-E633 WeakPolarHBondContact O-CB 3.36Å; R630-E633 WeakPolarHBondContact O-CG 3.48Å; R630-E633 PolarHBondContact O-N 3.39Å |
| 631 | L | 92.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -57.1 | -30.7 | -172.1 | -178.8 | 54.5 | 0 | 0 | 0 | 113.7 | L561 Y564 L622 V628 E633 F634 V635 F640 | L561-L631 HydrophobicContact CD2-CD1 4.45Å; Y564-L631 HydrophobicContact CD1-CD1 3.4Å; Y564-L631 HydrophobicContact CD1-CD2 4.35Å; Y564-L631 HydrophobicContact CD1-CG 4.48Å; Y564-L631 HydrophobicContact CE1-CD1 3.72Å; Y564-L631 HydrophobicContact CE1-CD2 3.87Å; Y564-L631 HydrophobicContact CE1-CG 4.36Å; Y564-L631 HydrophobicContact CG-CD1 4.08Å; L622-L631 HydrophobicContact CD1-CD1 4.19Å; L622-L631 HydrophobicContact CD1-CD2 4.31Å; V628-L631 VanDerWaalsContact O-CB 3.24Å; V628-L631 WeakPolarHBondContact O-CB 3.49Å; V628-L631 PolarHBondContact O-N 3.38Å; V628-L631 VanDerWaalsContact O-N 3.15Å; L631-E633 PolarHBondContact O-N 3.44Å; L631-F634 PolarHBondContact O-N 3.3Å; L631-V635 HydrophobicContact CD1-CG2 4.48Å; L631-V635 PolarHBondContact O-N 2.81Å; L631-F640 HydrophobicContact CD2-CE2 3.88Å |
| 632 | H | 91.7 | Very high | 90.8 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -64.4 | -20.4 | 176.5 | 75.4 | -79 | 0 | 0 | 0 | 114.3 | S629 R630 F634 V635 F637 | S629-H632 PolarHBondContact O-CE1 3.13Å; S629-H632 VanDerWaalsContact O-CE1 3.31Å; S629-H632 PolarHBondContact O-ND1 2.89Å; R630-H632 PolarHBondContact O-N 2.97Å; H632-F634 PolarHBondContact O-N 2.91Å; H632-V635 WeakPolarHBondContact CA-O 3.43Å; H632-F637 HydrophobicContact CB-CD2 4.48Å; H632-F637 HydrophobicContact CB-CE1 4.44Å; H632-F637 HydrophobicContact CB-CE2 3.78Å; H632-F637 HydrophobicContact CB-CZ 3.76Å |
| 633 | E | 93.5 | Very high | 90.5 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -68.7 | -25.1 | 172 | -59.9 | 161.6 | -159.5 | 0 | 0 | 111.3 | R630 L631 | R630-E633 WeakPolarHBondContact CG-OE1 3.2Å; R630-E633 IonicContact CZ-OE2 2.77Å; R630-E633 IonicContact NE-OE1 3.22Å; R630-E633 IonicContact NE-OE2 2.7Å; R630-E633 PolarHBondContact NE-OE2 2.84Å; R630-E633 IonicContact NH2-OE2 3.38Å; R630-E633 PolarHBondContact NH2-OE2 3.07Å; R630-E633 WeakPolarHBondContact O-CB 3.36Å; R630-E633 WeakPolarHBondContact O-CG 3.48Å; R630-E633 PolarHBondContact O-N 3.39Å; L631-E633 PolarHBondContact O-N 3.44Å |
| 634 | F | 94.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -40.4 | -171.5 | -67.4 | -96.1 | 0 | 0 | 0 | 112.8 | E558 L561 V562 K565 L631 H632 | E558-F634 VanDerWaalsContact OE1-CZ 3.29Å; E558-F634 WeakPolarHBondContact OE1-CZ 3.36Å; L561-F634 HydrophobicContact CB-CD1 3.97Å; L561-F634 HydrophobicContact CB-CD2 3.79Å; L561-F634 HydrophobicContact CB-CE1 3.88Å; L561-F634 HydrophobicContact CB-CE2 3.73Å; L561-F634 HydrophobicContact CB-CG 3.95Å; L561-F634 HydrophobicContact CB-CZ 3.76Å; L561-F634 HydrophobicContact CD1-CD2 4.26Å; L561-F634 HydrophobicContact CD1-CE2 3.68Å; L561-F634 HydrophobicContact CD1-CZ 4.1Å; L561-F634 HydrophobicContact CD2-CD2 3.98Å; L561-F634 HydrophobicContact CD2-CE2 4.25Å; L561-F634 HydrophobicContact CG-CD2 4.23Å; L561-F634 HydrophobicContact CG-CE2 4.09Å; L561-F634 HydrophobicContact CG-CZ 4.49Å; V562-F634 HydrophobicContact CG2-CD1 4.21Å; V562-F634 HydrophobicContact CG2-CE1 3.8Å; K565-F634 HydrophobicContact CB-CB 4.25Å; K565-F634 HydrophobicContact CD-CB 4.14Å; K565-F634 HydrophobicContact CD-CD1 4.39Å; K565-F634 WeakPolarHBondContact CD-O 3.45Å; K565-F634 WeakPolarHBondContact CE-O 3.41Å; K565-F634 PolarHBondContact NZ-O 3.49Å; L631-F634 PolarHBondContact O-N 3.3Å; H632-F634 PolarHBondContact O-N 2.91Å |
| 635 | V | 92.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -127.3 | 117.8 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | K565 H568 L631 H632 D639 F640 | K565-V635 HydrophobicContact CB-CG2 4.16Å; K565-V635 HydrophobicContact CG-CG2 4.18Å; H568-V635 HydrophobicContact CB-CG2 4.37Å; L631-V635 HydrophobicContact CD1-CG2 4.48Å; L631-V635 PolarHBondContact O-N 2.81Å; H632-V635 WeakPolarHBondContact CA-O 3.43Å; V635-D639 HydrophobicContact CG1-CB 4.24Å; V635-F640 HydrophobicContact CB-CD2 4.32Å; V635-F640 HydrophobicContact CG1-CB 4.21Å; V635-F640 HydrophobicContact CG1-CD2 3.82Å; V635-F640 HydrophobicContact CG1-CG 4.47Å |
| 636 | S | 88.3 | Confident | 90.1 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | trans | -67.1 | 157.1 | -178.2 | 83.4 | 0 | 0 | 0 | 0 | 111.6 | E638 D639 F640 | S636-E638 PolarHBondContact O-N 2.83Å; S636-E638 PolarHBondContact OG-N 3.18Å; S636-D639 WeakPolarHBondContact CB-OD2 3.39Å; S636-D639 PolarHBondContact O-N 3.35Å; S636-D639 WeakPolarHBondContact OG-CB 3.46Å; S636-D639 PolarHBondContact OG-N 3.3Å; S636-D639 VanDerWaalsContact OG-N 3.08Å; S636-D639 PolarHBondContact OG-OD2 3.16Å; S636-F640 WeakPolarHBondContact O-CB 3.31Å; S636-F640 PolarHBondContact O-N 3.47Å | ||
| 637 | F | 82.2 | Confident | 90 | Very high | 178 Ų | 178 | 54.1 Ų | 54.1 | 78% | 0.781 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.8 | -30 | 176.4 | -68.4 | -71.2 | 0 | 0 | 0 | 113.1 | H632 | H632-F637 HydrophobicContact CB-CD2 4.48Å; H632-F637 HydrophobicContact CB-CE1 4.44Å; H632-F637 HydrophobicContact CB-CE2 3.78Å; H632-F637 HydrophobicContact CB-CZ 3.76Å |
| 638 | E | 79.8 | Confident | 90 | Very high | 173 Ų | 173 | 55.2 Ų | 55.2 | 81% | 0.808 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.7 | -39.9 | 177.7 | -62.9 | -179.5 | -178.1 | 0 | 0 | 111.6 | S636 F640 Q641 | S636-E638 PolarHBondContact O-N 2.83Å; S636-E638 PolarHBondContact OG-N 3.18Å; E638-F640 VanDerWaalsContact C-N 3.34Å; E638-Q641 WeakPolarHBondContact O-CG 3.15Å |
| 639 | D | 83.4 | Confident | 90.2 | Very high | 96 Ų | 96 | 53.6 Ų | 53.6 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.7 | -26.6 | 177.6 | -64.6 | -52.3 | 0 | 0 | 0 | 112.8 | H568 V635 S636 Q641 | H568-D639 PolarHBondContact CE1-O 3.29Å; V635-D639 HydrophobicContact CG1-CB 4.24Å; S636-D639 WeakPolarHBondContact CB-OD2 3.39Å; S636-D639 PolarHBondContact O-N 3.35Å; S636-D639 WeakPolarHBondContact OG-CB 3.46Å; S636-D639 PolarHBondContact OG-N 3.3Å; S636-D639 VanDerWaalsContact OG-N 3.08Å; S636-D639 PolarHBondContact OG-OD2 3.16Å; D639-Q641 VanDerWaalsContact C-N 3.31Å; D639-Q641 PolarHBondContact O-N 3.21Å |
| 640 | F | 85.1 | Confident | 90.5 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | -169.5 | -162.9 | -86.4 | 0 | 0 | 0 | 113.3 | Y564 H568 L631 V635 S636 E638 V642 L645 L701 | Y564-F640 AromaticContact CE1-CE2 3.99Å; Y564-F640 HydrophobicContact CE1-CE2 3.99Å; H568-F640 PolarHBondContact NE2-O 2.94Å; H568-F640 VanDerWaalsContact NE2-O 3.07Å; L631-F640 HydrophobicContact CD2-CE2 3.88Å; V635-F640 HydrophobicContact CB-CD2 4.32Å; V635-F640 HydrophobicContact CG1-CB 4.21Å; V635-F640 HydrophobicContact CG1-CD2 3.82Å; V635-F640 HydrophobicContact CG1-CG 4.47Å; S636-F640 WeakPolarHBondContact O-CB 3.31Å; S636-F640 PolarHBondContact O-N 3.47Å; E638-F640 VanDerWaalsContact C-N 3.34Å; F640-V642 HydrophobicContact CD1-CB 4.46Å; F640-V642 HydrophobicContact CD1-CG2 3.59Å; F640-V642 HydrophobicContact CE1-CG2 3.9Å; F640-V642 PolarHBondContact O-N 2.81Å; F640-L645 HydrophobicContact CD1-CD1 4.02Å; F640-L645 HydrophobicContact CE1-CD1 3.54Å; F640-L645 HydrophobicContact CZ-CD1 3.98Å; F640-L701 HydrophobicContact CD1-CD1 4.34Å; F640-L701 HydrophobicContact CE1-CD1 3.51Å; F640-L701 HydrophobicContact CZ-CD1 3.88Å |
| 641 | Q | 87.8 | Confident | 90.6 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | trans | 43.4 | 59.4 | 173.7 | -61.5 | -170.5 | 18.3 | 0 | 0 | 114.8 | M572 E638 D639 E643 V644 L645 | M572-Q641 HydrophobicContact CE-CB 3.7Å; M572-Q641 HydrophobicContact CE-CG 4.07Å; M572-Q641 VanDerWaalsContact CE-OE1 3.23Å; M572-Q641 HydrophobicContact SD-CB 4.42Å; E638-Q641 WeakPolarHBondContact O-CG 3.15Å; D639-Q641 VanDerWaalsContact C-N 3.31Å; D639-Q641 PolarHBondContact O-N 3.21Å; Q641-E643 PolarHBondContact O-N 3.15Å; Q641-E643 VanDerWaalsContact O-N 3.08Å; Q641-V644 HydrophobicContact CB-CB 4.31Å; Q641-V644 HydrophobicContact CB-CG2 4.13Å; Q641-V644 WeakPolarHBondContact O-CB 3.49Å; Q641-V644 PolarHBondContact O-N 3.5Å; Q641-L645 PolarHBondContact O-N 3.02Å | ||
| 642 | V | 90.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -48.4 | -42.3 | -176.8 | -166 | 0 | 0 | 0 | 0 | 113 | F640 V644 L645 V646 L701 M702 | F640-V642 HydrophobicContact CD1-CB 4.46Å; F640-V642 HydrophobicContact CD1-CG2 3.59Å; F640-V642 HydrophobicContact CE1-CG2 3.9Å; F640-V642 PolarHBondContact O-N 2.81Å; V642-V644 PolarHBondContact O-N 2.89Å; V642-V644 VanDerWaalsContact O-N 3.16Å; V642-L645 PolarHBondContact O-N 3.05Å; V642-V646 HydrophobicContact CG1-CG1 4.48Å; V642-V646 PolarHBondContact O-N 2.97Å; V642-L701 HydrophobicContact CG1-CB 4.12Å; V642-L701 HydrophobicContact CG2-CB 3.76Å; V642-L701 HydrophobicContact CG2-CD1 4.16Å; V642-M702 HydrophobicContact CB-CG 3.9Å; V642-M702 HydrophobicContact CB-SD 4.38Å; V642-M702 HydrophobicContact CG1-CG 3.68Å; V642-M702 HydrophobicContact CG1-SD 4.03Å |
| 643 | E | 88.9 | Confident | 91.1 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.3 | -29.4 | 178.5 | -72.3 | 177.8 | -172.4 | 0 | 0 | 113.3 | Q641 V646 E647 M702 | Q641-E643 PolarHBondContact O-N 3.15Å; Q641-E643 VanDerWaalsContact O-N 3.08Å; E643-V646 WeakPolarHBondContact O-CG2 3.49Å; E643-E647 VanDerWaalsContact O-CG 3.25Å; E643-E647 WeakPolarHBondContact O-CG 3.19Å; E643-M702 HydrophobicContact CG-CE 3.57Å; E643-M702 HydrophobicContact CG-SD 4.06Å |
| 644 | V | 89.1 | Confident | 91.3 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -82.6 | -33.8 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | M572 Q641 V642 E647 | M572-V644 HydrophobicContact CE-CB 4.17Å; M572-V644 HydrophobicContact CE-CG1 4.02Å; M572-V644 HydrophobicContact CE-CG2 4.42Å; M572-V644 HydrophobicContact SD-CB 4.37Å; M572-V644 HydrophobicContact SD-CG1 4.12Å; Q641-V644 HydrophobicContact CB-CB 4.31Å; Q641-V644 HydrophobicContact CB-CG2 4.13Å; Q641-V644 WeakPolarHBondContact O-CB 3.49Å; Q641-V644 PolarHBondContact O-N 3.5Å; V642-V644 PolarHBondContact O-N 2.89Å; V642-V644 VanDerWaalsContact O-N 3.16Å; V644-E647 PolarHBondContact O-N 3.26Å |
| 645 | L | 92.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -35.5 | -179.5 | -55.9 | -178.1 | 0 | 0 | 0 | 112.6 | V571 M572 L615 F640 Q641 V642 M694 | V571-L645 HydrophobicContact CG1-CD2 3.73Å; M572-L645 HydrophobicContact SD-CD2 3.88Å; L615-L645 HydrophobicContact CD2-CD1 4.25Å; L615-L645 HydrophobicContact CD2-CD2 3.95Å; F640-L645 HydrophobicContact CD1-CD1 4.02Å; F640-L645 HydrophobicContact CE1-CD1 3.54Å; F640-L645 HydrophobicContact CZ-CD1 3.98Å; Q641-L645 PolarHBondContact O-N 3.02Å; V642-L645 PolarHBondContact O-N 3.05Å; L645-M694 HydrophobicContact CB-SD 4.17Å |
| 646 | V | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.4 | -179.3 | -62.7 | 0 | 0 | 0 | 0 | 114.1 | V642 E643 L650 L695 M702 F707 L710 | V642-V646 HydrophobicContact CG1-CG1 4.48Å; V642-V646 PolarHBondContact O-N 2.97Å; E643-V646 WeakPolarHBondContact O-CG2 3.49Å; V646-L650 VanDerWaalsContact O-CB 3.22Å; V646-L650 WeakPolarHBondContact O-CB 3.49Å; V646-L650 PolarHBondContact O-N 3.37Å; V646-L695 HydrophobicContact CB-CD2 3.93Å; V646-L695 HydrophobicContact CG1-CD2 4.3Å; V646-M702 HydrophobicContact CG2-SD 4.39Å; V646-F707 HydrophobicContact CG1-CE2 4.46Å; V646-L710 HydrophobicContact CG2-CD2 3.61Å |
| 647 | E | 91.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -51.7 | -170.9 | -83.5 | -82 | 168.2 | 0 | 0 | 113.4 | F578 E643 V644 L650 R651 R714 | F578-E647 HydrophobicContact CD1-CG 4.47Å; F578-E647 HydrophobicContact CE1-CB 4.48Å; F578-E647 HydrophobicContact CE1-CG 3.64Å; F578-E647 VanDerWaalsContact CZ-CD 3.5Å; F578-E647 HydrophobicContact CZ-CG 3.9Å; E643-E647 VanDerWaalsContact O-CG 3.25Å; E643-E647 WeakPolarHBondContact O-CG 3.19Å; V644-E647 PolarHBondContact O-N 3.26Å; E647-L650 PolarHBondContact O-N 3.44Å; E647-R651 WeakPolarHBondContact O-CD 3.29Å; E647-R651 WeakPolarHBondContact O-CG 3.19Å; E647-R651 PolarHBondContact O-N 3.01Å; E647-R651 IonicContact OE2-CZ 3.41Å; E647-R651 VanDerWaalsContact OE2-CZ 3.27Å; E647-R651 IonicContact OE2-NE 2.75Å; E647-R651 PolarHBondContact OE2-NE 3.44Å; E647-R651 IonicContact OE2-NH2 3.69Å; E647-R651 PolarHBondContact OE2-NH2 3.45Å; E647-R714 IonicContact OE1-CZ 2.69Å; E647-R714 VanDerWaalsContact OE1-CZ 3.31Å; E647-R714 IonicContact OE1-NE 3.21Å; E647-R714 PolarHBondContact OE1-NE 3.45Å; E647-R714 VanDerWaalsContact OE1-NE 3.11Å; E647-R714 IonicContact OE1-NH2 2.64Å; E647-R714 PolarHBondContact OE1-NH2 3.42Å; E647-R714 IonicContact OE2-CZ 2.76Å; E647-R714 IonicContact OE2-NE 2.84Å; E647-R714 PolarHBondContact OE2-NE 3.12Å; E647-R714 IonicContact OE2-NH2 3.4Å |
| 648 | Y | 93.9 | Very high | 92.8 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 9% | 0.094 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -52.7 | -178.1 | -81.9 | -70.9 | 0 | 0 | 0 | 112.1 | L609 L650 R651 C652 | L609-Y648 WeakPolarHBondContact CD1-O 3.45Å; L609-Y648 HydrophobicContact CD2-CD1 3.69Å; L609-Y648 HydrophobicContact CD2-CG 4.14Å; Y648-L650 PolarHBondContact O-N 3.32Å; Y648-R651 PolarHBondContact O-N 3.5Å; Y648-C652 PolarHBondContact O-N 2.89Å; Y648-C652 VanDerWaalsContact O-N 3.11Å |
| 649 | P | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.8 | -45.5 | 172.3 | -31.9 | 39.2 | 0 | 0 | 0 | 114.5 | R651 C652 L653 D691 M694 L695 | P649-R651 VanDerWaalsContact C-N 3.33Å; P649-R651 PolarHBondContact O-N 3.33Å; P649-C652 WeakPolarHBondContact O-CB 3.27Å; P649-C652 PolarHBondContact O-N 3.22Å; P649-L653 WeakPolarHBondContact O-CG 3.32Å; P649-L653 PolarHBondContact O-N 2.97Å; P649-D691 HydrophobicContact CB-CB 3.83Å; P649-M694 HydrophobicContact CB-CB 4.32Å; P649-M694 HydrophobicContact CG-CB 3.79Å; P649-M694 HydrophobicContact CG-CG 3.83Å; P649-L695 HydrophobicContact CB-CD2 4.43Å |
| 650 | L | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | -179 | -176.9 | 53 | 0 | 0 | 0 | 111.7 | V646 E647 Y648 L653 V654 L695 L710 V711 R714 Y715 | V646-L650 VanDerWaalsContact O-CB 3.22Å; V646-L650 WeakPolarHBondContact O-CB 3.49Å; V646-L650 PolarHBondContact O-N 3.37Å; E647-L650 PolarHBondContact O-N 3.44Å; Y648-L650 PolarHBondContact O-N 3.32Å; L650-L653 PolarHBondContact O-N 3.16Å; L650-V654 HydrophobicContact CD1-CG2 4.32Å; L650-V654 WeakPolarHBondContact O-CB 3.49Å; L650-V654 VanDerWaalsContact O-CG2 3.25Å; L650-V654 WeakPolarHBondContact O-CG2 3.39Å; L650-V654 PolarHBondContact O-N 2.87Å; L650-L695 HydrophobicContact CB-CD2 4.08Å; L650-L695 HydrophobicContact CD1-CD1 4.24Å; L650-L710 HydrophobicContact CD2-CD2 4.34Å; L650-L710 HydrophobicContact CD2-CG 3.93Å; L650-V711 HydrophobicContact CD1-CG2 4.22Å; L650-V711 HydrophobicContact CD2-CG2 4.33Å; L650-R714 HydrophobicContact CD2-CB 3.89Å; L650-R714 HydrophobicContact CD2-CG 3.73Å; L650-R714 HydrophobicContact CG-CB 3.93Å; L650-R714 HydrophobicContact CG-CG 4.13Å; L650-Y715 HydrophobicContact CD1-CE2 4.15Å |
| 651 | R | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 15.9 Ų | 15.9 | 6% | 0.06 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -40 | 175.7 | -65.6 | 163.9 | -168.7 | -168.5 | 9.7 | 112.3 | F578 Y598 V600 V605 E647 Y648 P649 V654 L655 | F578-R651 VanDerWaalsContact CZ-NH2 3.34Å; Y598-R651 HydrophobicContact CD1-CG 4.06Å; Y598-R651 HydrophobicContact CE1-CB 4.34Å; Y598-R651 VanDerWaalsContact CE1-CD 3.42Å; Y598-R651 HydrophobicContact CE1-CG 3.5Å; Y598-R651 VanDerWaalsContact CE1-CG 3.5Å; V600-R651 HydrophobicContact CG2-CB 4.05Å; V600-R651 HydrophobicContact CG2-CG 4.15Å; V605-R651 HydrophobicContact CG2-CB 4.12Å; E647-R651 WeakPolarHBondContact O-CD 3.29Å; E647-R651 WeakPolarHBondContact O-CG 3.19Å; E647-R651 PolarHBondContact O-N 3.01Å; E647-R651 IonicContact OE2-CZ 3.41Å; E647-R651 VanDerWaalsContact OE2-CZ 3.27Å; E647-R651 IonicContact OE2-NE 2.75Å; E647-R651 PolarHBondContact OE2-NE 3.44Å; E647-R651 IonicContact OE2-NH2 3.69Å; E647-R651 PolarHBondContact OE2-NH2 3.45Å; Y648-R651 PolarHBondContact O-N 3.5Å; P649-R651 VanDerWaalsContact C-N 3.33Å; P649-R651 PolarHBondContact O-N 3.33Å; R651-V654 PolarHBondContact O-N 2.97Å; R651-L655 WeakPolarHBondContact O-CB 3.4Å; R651-L655 PolarHBondContact O-N 2.99Å |
| 652 | C | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | L609 Y648 P649 L655 V656 Y678 | L609-C652 HydrophobicContact CD1-CB 3.83Å; Y648-C652 PolarHBondContact O-N 2.89Å; Y648-C652 VanDerWaalsContact O-N 3.11Å; P649-C652 WeakPolarHBondContact O-CB 3.27Å; P649-C652 PolarHBondContact O-N 3.22Å; C652-L655 WeakPolarHBondContact O-CB 3.29Å; C652-L655 PolarHBondContact O-N 3.43Å; C652-V656 WeakPolarHBondContact O-CG2 3.36Å; C652-V656 PolarHBondContact O-N 3.49Å; C652-V656 VanDerWaalsContact O-N 3.14Å; C652-Y678 VanDerWaalsContact SG-CZ 3.53Å |
| 653 | L | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.5 | -69 | 165.7 | 0 | 0 | 0 | 112.4 | P649 L650 V656 A657 Y688 D691 I692 L695 V746 | P649-L653 WeakPolarHBondContact O-CG 3.32Å; P649-L653 PolarHBondContact O-N 2.97Å; L650-L653 PolarHBondContact O-N 3.16Å; L653-V656 PolarHBondContact O-N 3.03Å; L653-A657 PolarHBondContact O-N 3.33Å; L653-Y688 HydrophobicContact CD2-CD2 3.9Å; L653-Y688 HydrophobicContact CD2-CE2 3.55Å; L653-D691 HydrophobicContact CD1-CB 4.35Å; L653-D691 HydrophobicContact CG-CB 4.47Å; L653-I692 HydrophobicContact CD1-CD1 3.97Å; L653-I692 HydrophobicContact CD2-CD1 4.09Å; L653-L695 HydrophobicContact CD1-CD1 3.47Å; L653-L695 VanDerWaalsContact CD1-CD1 3.47Å; L653-L695 HydrophobicContact CD1-CG 4.21Å; L653-V746 HydrophobicContact CD1-CG1 4.45Å |
| 654 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | V600 L650 R651 V656 A657 Q658 R714 Y715 | V600-V654 HydrophobicContact CB-CB 4.43Å; V600-V654 HydrophobicContact CB-CG1 3.67Å; V600-V654 HydrophobicContact CG1-CG1 3.98Å; V600-V654 HydrophobicContact CG2-CB 3.97Å; V600-V654 HydrophobicContact CG2-CG1 3.66Å; L650-V654 HydrophobicContact CD1-CG2 4.32Å; L650-V654 WeakPolarHBondContact O-CB 3.49Å; L650-V654 VanDerWaalsContact O-CG2 3.25Å; L650-V654 WeakPolarHBondContact O-CG2 3.39Å; L650-V654 PolarHBondContact O-N 2.87Å; R651-V654 PolarHBondContact O-N 2.97Å; V654-V656 VanDerWaalsContact C-N 3.33Å; V654-V656 PolarHBondContact O-N 3.08Å; V654-A657 WeakPolarHBondContact O-CB 3.37Å; V654-A657 PolarHBondContact O-N 3.43Å; V654-Q658 HydrophobicContact CG1-CG 4.12Å; V654-Q658 WeakPolarHBondContact O-CB 3.48Å; V654-Q658 WeakPolarHBondContact O-CG 3.39Å; V654-Q658 PolarHBondContact O-N 2.98Å; V654-R714 WeakPolarHBondContact CG1-O 3.5Å; V654-R714 HydrophobicContact CG2-CB 4.25Å; V654-Y715 HydrophobicContact CG2-CD1 4.25Å; V654-Y715 HydrophobicContact CG2-CD2 3.43Å; V654-Y715 VanDerWaalsContact CG2-CD2 3.43Å; V654-Y715 HydrophobicContact CG2-CE1 4.3Å; V654-Y715 HydrophobicContact CG2-CE2 3.48Å; V654-Y715 VanDerWaalsContact CG2-CE2 3.48Å; V654-Y715 HydrophobicContact CG2-CG 3.84Å |
| 655 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 175.2 | 166.7 | 65 | 0 | 0 | 0 | 110.4 | I518 V600 V605 I607 R651 C652 A657 Q658 V659 W664 | I518-L655 HydrophobicContact CD1-CD1 4.21Å; I518-L655 HydrophobicContact CD1-CD2 4.07Å; V600-L655 HydrophobicContact CG1-CB 3.99Å; V605-L655 HydrophobicContact CG1-CB 4.48Å; V605-L655 HydrophobicContact CG1-CD1 4.07Å; V605-L655 HydrophobicContact CG1-CD2 3.98Å; V605-L655 HydrophobicContact CG1-CG 4.4Å; V605-L655 HydrophobicContact CG2-CB 4.18Å; V605-L655 HydrophobicContact CG2-CD2 4.12Å; I607-L655 HydrophobicContact CG2-CD2 3.86Å; R651-L655 WeakPolarHBondContact O-CB 3.4Å; R651-L655 PolarHBondContact O-N 2.99Å; C652-L655 WeakPolarHBondContact O-CB 3.29Å; C652-L655 PolarHBondContact O-N 3.43Å; L655-A657 VanDerWaalsContact C-N 3.35Å; L655-A657 PolarHBondContact O-N 2.96Å; L655-Q658 PolarHBondContact O-N 3.38Å; L655-V659 HydrophobicContact CD1-CG2 4.02Å; L655-V659 HydrophobicContact CG-CG2 4.46Å; L655-V659 WeakPolarHBondContact O-CG2 3.43Å; L655-V659 PolarHBondContact O-N 3.48Å; L655-W664 HydrophobicContact CD1-CD2 3.91Å; L655-W664 HydrophobicContact CD1-CE3 4.17Å; L655-W664 HydrophobicContact CD1-CH2 3.83Å; L655-W664 HydrophobicContact CD1-CZ2 3.53Å; L655-W664 HydrophobicContact CD1-CZ3 4.13Å |
| 656 | V | 96.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 111 | C652 L653 V654 Q658 V659 V660 V675 Y678 | C652-V656 WeakPolarHBondContact O-CG2 3.36Å; C652-V656 PolarHBondContact O-N 3.49Å; C652-V656 VanDerWaalsContact O-N 3.14Å; L653-V656 PolarHBondContact O-N 3.03Å; V654-V656 VanDerWaalsContact C-N 3.33Å; V654-V656 PolarHBondContact O-N 3.08Å; V656-Q658 VanDerWaalsContact C-N 3.33Å; V656-Q658 PolarHBondContact O-N 2.96Å; V656-V659 PolarHBondContact O-N 2.81Å; V656-V660 WeakPolarHBondContact O-CB 3.36Å; V656-V660 WeakPolarHBondContact O-CG2 3.3Å; V656-V660 PolarHBondContact O-N 3.2Å; V656-V675 HydrophobicContact CG1-CG1 4.05Å; V656-V675 HydrophobicContact CG2-CG1 4.06Å; V656-V675 HydrophobicContact CG2-CG2 4.27Å; V656-Y678 HydrophobicContact CG2-CD1 3.73Å; V656-Y678 HydrophobicContact CG2-CE1 3.72Å |
| 657 | A | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L653 V654 L655 V660 A661 Y715 L739 E742 | L653-A657 PolarHBondContact O-N 3.33Å; V654-A657 WeakPolarHBondContact O-CB 3.37Å; V654-A657 PolarHBondContact O-N 3.43Å; L655-A657 VanDerWaalsContact C-N 3.35Å; L655-A657 PolarHBondContact O-N 2.96Å; A657-V660 PolarHBondContact O-N 3.41Å; A657-A661 WeakPolarHBondContact O-CB 3.47Å; A657-A661 PolarHBondContact O-N 3.16Å; A657-Y715 HydrophobicContact CB-CD1 4.45Å; A657-Y715 HydrophobicContact CB-CE1 3.68Å; A657-L739 HydrophobicContact CB-CD2 4.1Å; A657-E742 HydrophobicContact CB-CB 3.5Å; A657-E742 HydrophobicContact CB-CG 3.88Å |
| 658 | Q | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.8 | -33.2 | 177.5 | -69.9 | -171.8 | 1.7 | 0 | 0 | 113 | S601 V654 L655 V656 A661 E662 M663 W664 E716 L739 | S601-Q658 VanDerWaalsContact CA-OE1 3.32Å; V654-Q658 HydrophobicContact CG1-CG 4.12Å; V654-Q658 WeakPolarHBondContact O-CB 3.48Å; V654-Q658 WeakPolarHBondContact O-CG 3.39Å; V654-Q658 PolarHBondContact O-N 2.98Å; L655-Q658 PolarHBondContact O-N 3.38Å; V656-Q658 VanDerWaalsContact C-N 3.33Å; V656-Q658 PolarHBondContact O-N 2.96Å; Q658-A661 CarbonylContact O-C 3.48Å; Q658-A661 PolarHBondContact O-N 3Å; Q658-E662 PolarHBondContact O-N 2.72Å; Q658-M663 HydrophobicContact CB-CB 4.36Å; Q658-M663 HydrophobicContact CB-SD 3.82Å; Q658-M663 HydrophobicContact CG-CE 4.15Å; Q658-M663 HydrophobicContact CG-SD 3.66Å; Q658-M663 WeakPolarHBondContact O-CB 3.26Å; Q658-M663 PolarHBondContact O-N 3.3Å; Q658-W664 VanDerWaalsContact CB-NE1 3.32Å; Q658-E716 PolarHBondContact NE2-OE1 3.48Å; Q658-E716 VanDerWaalsContact NE2-OE1 3.15Å; Q658-L739 HydrophobicContact CG-CD2 3.84Å |
| 659 | V | 96.1 | Very high | 94.5 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 171.4 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | L655 V656 E662 W664 L671 V675 | L655-V659 HydrophobicContact CD1-CG2 4.02Å; L655-V659 HydrophobicContact CG-CG2 4.46Å; L655-V659 WeakPolarHBondContact O-CG2 3.43Å; L655-V659 PolarHBondContact O-N 3.48Å; V656-V659 PolarHBondContact O-N 2.81Å; V659-E662 WeakPolarHBondContact O-CA 3.41Å; V659-E662 PolarHBondContact O-N 2.99Å; V659-W664 HydrophobicContact CG2-CB 3.97Å; V659-W664 HydrophobicContact CG2-CG 4Å; V659-L671 HydrophobicContact CG2-CD1 4.44Å; V659-L671 HydrophobicContact CG2-CD2 3.96Å; V659-L671 HydrophobicContact CG2-CG 4.17Å; V659-V675 HydrophobicContact CG2-CG2 4.27Å |
| 660 | V | 94.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 173.3 | 165.2 | 0 | 0 | 0 | 0 | 112.4 | V656 A657 E662 T738 E742 K840 | V656-V660 WeakPolarHBondContact O-CB 3.36Å; V656-V660 WeakPolarHBondContact O-CG2 3.3Å; V656-V660 PolarHBondContact O-N 3.2Å; A657-V660 PolarHBondContact O-N 3.41Å; V660-E662 PolarHBondContact O-N 3.2Å; V660-E662 VanDerWaalsContact O-N 3.08Å; V660-T738 HydrophobicContact CG1-CG2 3.75Å; V660-E742 HydrophobicContact CG1-CG 4.1Å; V660-E742 WeakPolarHBondContact CG1-OE1 3.41Å; V660-K840 VanDerWaalsContact CG1-NZ 3.27Å |
| 661 | A | 95.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 11.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A657 Q658 M663 Q735 T738 L739 | A657-A661 WeakPolarHBondContact O-CB 3.47Å; A657-A661 PolarHBondContact O-N 3.16Å; Q658-A661 CarbonylContact O-C 3.48Å; Q658-A661 PolarHBondContact O-N 3Å; A661-M663 HydrophobicContact CB-CG 4.17Å; A661-M663 HydrophobicContact CB-SD 4.18Å; A661-M663 PolarHBondContact O-N 2.98Å; A661-M663 VanDerWaalsContact O-N 3.09Å; A661-Q735 WeakPolarHBondContact O-CG 3.4Å; A661-T738 HydrophobicContact CB-CG2 3.92Å; A661-L739 HydrophobicContact CB-CD2 4.01Å; A661-L739 HydrophobicContact CB-CG 4.04Å |
| 662 | E | 93.6 | Very high | 93.5 | Very high | 69 Ų | 69 | 34 Ų | 34 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 13 | 173.1 | -48.6 | -171.7 | 115.1 | 0 | 0 | 114.6 | Q658 V659 V660 W664 R665 K734 | Q658-E662 PolarHBondContact O-N 2.72Å; V659-E662 WeakPolarHBondContact O-CA 3.41Å; V659-E662 PolarHBondContact O-N 2.99Å; V660-E662 PolarHBondContact O-N 3.2Å; V660-E662 VanDerWaalsContact O-N 3.08Å; E662-W664 VanDerWaalsContact C-N 3.27Å; E662-W664 PolarHBondContact O-N 3.07Å; E662-R665 HydrophobicContact CB-CG 4.32Å; E662-R665 VanDerWaalsContact CD-CZ 3.43Å; E662-R665 WeakPolarHBondContact O-CD 3.33Å; E662-R665 WeakPolarHBondContact O-CG 3.48Å; E662-R665 IonicContact OE1-CZ 3.79Å; E662-R665 IonicContact OE1-NE 2.88Å; E662-R665 IonicContact OE1-NH2 3.45Å; E662-R665 PolarHBondContact OE1-NH2 3.31Å; E662-R665 IonicContact OE2-CZ 3.33Å; E662-R665 IonicContact OE2-NH1 3.77Å; E662-R665 IonicContact OE2-NH2 2.65Å; E662-R665 PolarHBondContact OE2-NH2 3.05Å; E662-K734 IonicContact OE2-NZ 2.57Å; E662-K734 PolarHBondContact OE2-NZ 3.11Å |
| 663 | M | 94.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 35.8 Ų | 35.8 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.2 | -175.6 | -63.2 | 171.1 | 65.5 | 0 | 0 | 112.5 | R520 Q658 A661 Q735 L739 | R520-M663 PolarHBondContact NE-O 2.78Å; R520-M663 PolarHBondContact NH2-O 3.43Å; R520-M663 VanDerWaalsContact NH2-O 3.13Å; Q658-M663 HydrophobicContact CB-CB 4.36Å; Q658-M663 HydrophobicContact CB-SD 3.82Å; Q658-M663 HydrophobicContact CG-CE 4.15Å; Q658-M663 HydrophobicContact CG-SD 3.66Å; Q658-M663 WeakPolarHBondContact O-CB 3.26Å; Q658-M663 PolarHBondContact O-N 3.3Å; A661-M663 HydrophobicContact CB-CG 4.17Å; A661-M663 HydrophobicContact CB-SD 4.18Å; A661-M663 PolarHBondContact O-N 2.98Å; A661-M663 VanDerWaalsContact O-N 3.09Å; M663-Q735 HydrophobicContact CG-CG 4.05Å; M663-L739 HydrophobicContact SD-CD1 3.99Å; M663-L739 HydrophobicContact SD-CD2 4.47Å |
| 664 | W | 94 | Very high | 93 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 11.9 | -171.6 | -68.2 | 76.6 | 0 | 0 | 0 | 114.8 | I518 R520 V600 V605 L655 Q658 V659 E662 R666 N667 L671 | I518-W664 HydrophobicContact CD1-CE3 4.4Å; I518-W664 HydrophobicContact CD1-CZ3 3.89Å; I518-W664 HydrophobicContact CG1-CH2 4.43Å; I518-W664 HydrophobicContact CG1-CZ3 4.02Å; R520-W664 VanDerWaalsContact CA-CZ3 3.41Å; R520-W664 HydrophobicContact CB-CD2 4.04Å; R520-W664 HydrophobicContact CB-CE3 3.91Å; R520-W664 HydrophobicContact CB-CH2 3.73Å; R520-W664 HydrophobicContact CB-CZ2 3.84Å; R520-W664 HydrophobicContact CB-CZ3 3.76Å; R520-W664 HydrophobicContact CG-CD2 3.89Å; R520-W664 HydrophobicContact CG-CE3 4.11Å; R520-W664 HydrophobicContact CG-CG 4.32Å; R520-W664 HydrophobicContact CG-CZ2 4.4Å; R520-W664 HydrophobicContact CG-CZ3 4.47Å; V600-W664 HydrophobicContact CG1-CZ2 4.23Å; V600-W664 VanDerWaalsContact O-CZ2 3.24Å; V600-W664 WeakPolarHBondContact O-CZ2 3.25Å; V605-W664 HydrophobicContact CG1-CH2 3.76Å; V605-W664 HydrophobicContact CG1-CZ2 4.26Å; L655-W664 HydrophobicContact CD1-CD2 3.91Å; L655-W664 HydrophobicContact CD1-CE3 4.17Å; L655-W664 HydrophobicContact CD1-CH2 3.83Å; L655-W664 HydrophobicContact CD1-CZ2 3.53Å; L655-W664 HydrophobicContact CD1-CZ3 4.13Å; Q658-W664 VanDerWaalsContact CB-NE1 3.32Å; V659-W664 HydrophobicContact CG2-CB 3.97Å; V659-W664 HydrophobicContact CG2-CG 4Å; E662-W664 VanDerWaalsContact C-N 3.27Å; E662-W664 PolarHBondContact O-N 3.07Å; W664-R666 PolarHBondContact O-N 2.78Å; W664-N667 HydrophobicContact CE3-CB 4.38Å; W664-N667 WeakPolarHBondContact O-CB 3.46Å; W664-N667 PolarHBondContact O-N 3.49Å; W664-L671 HydrophobicContact CB-CD2 3.76Å; W664-L671 HydrophobicContact CD2-CD2 4.04Å; W664-L671 HydrophobicContact CE3-CD2 3.58Å; W664-L671 HydrophobicContact CG-CD2 4.15Å; W664-L671 HydrophobicContact CZ3-CD2 4.44Å |
| 665 | R | 89.6 | Confident | 92.8 | Very high | 163 Ų | 163 | 36.5 Ų | 36.5 | 62% | 0.615 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -15 | -179.7 | -77.6 | 169.6 | 165.9 | 158.9 | -6.8 | 116.4 | H525 E662 | H525-R665 PolarHBondContact ND1-O 2.77Å; E662-R665 HydrophobicContact CB-CG 4.32Å; E662-R665 VanDerWaalsContact CD-CZ 3.43Å; E662-R665 WeakPolarHBondContact O-CD 3.33Å; E662-R665 WeakPolarHBondContact O-CG 3.48Å; E662-R665 IonicContact OE1-CZ 3.79Å; E662-R665 IonicContact OE1-NE 2.88Å; E662-R665 IonicContact OE1-NH2 3.45Å; E662-R665 PolarHBondContact OE1-NH2 3.31Å; E662-R665 IonicContact OE2-CZ 3.33Å; E662-R665 IonicContact OE2-NH1 3.77Å; E662-R665 IonicContact OE2-NH2 2.65Å; E662-R665 PolarHBondContact OE2-NH2 3.05Å |
| 666 | R | 88.7 | Confident | 92.6 | Very high | 115 Ų | 115 | 42.1 Ų | 42.1 | 43% | 0.434 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -3.6 | -178.6 | -62.8 | -171.8 | -172.1 | 159.6 | 11.4 | 114.2 | Q521 V522 G523 I526 W664 G668 | Q521-R666 HydrophobicContact CB-CB 3.83Å; Q521-R666 WeakPolarHBondContact O-CB 3.3Å; V522-R666 VanDerWaalsContact C-NH1 3.28Å; V522-R666 PolarHBondContact O-NH1 2.8Å; G523-R666 VanDerWaalsContact O-CD 3.22Å; G523-R666 WeakPolarHBondContact O-CD 3.45Å; G523-R666 PolarHBondContact O-NH1 2.81Å; I526-R666 PolarHBondContact N-O 3.3Å; W664-R666 PolarHBondContact O-N 2.78Å; R666-G668 VanDerWaalsContact C-N 3.33Å; R666-G668 PolarHBondContact O-N 3.43Å |
| 667 | N | 90.9 | Very high | 92.4 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.1 | 22.3 | -179.8 | -75.6 | 76 | 0 | 0 | 0 | 114.1 | R519 Q521 I526 W664 L671 | R519-N667 PolarHBondContact O-ND2 2.67Å; Q521-N667 PolarHBondContact N-OD1 3.41Å; I526-N667 WeakPolarHBondContact CD1-O 3.38Å; W664-N667 HydrophobicContact CE3-CB 4.38Å; W664-N667 WeakPolarHBondContact O-CB 3.46Å; W664-N667 PolarHBondContact O-N 3.49Å; N667-L671 HydrophobicContact CB-CB 4.33Å; N667-L671 HydrophobicContact CB-CD2 3.71Å |
| 668 | G | 87.2 | Confident | 92.2 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -170 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D529 R666 | D529-G668 VanDerWaalsContact OD1-CA 3.29Å; D529-G668 WeakPolarHBondContact OD1-CA 3.48Å; R666-G668 VanDerWaalsContact C-N 3.33Å; R666-G668 PolarHBondContact O-N 3.43Å |
| 669 | L | 87.4 | Confident | 92.1 | Very high | 117 Ų | 117 | 48.5 Ų | 48.5 | 61% | 0.613 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -23.5 | 177.7 | -67 | 177.1 | 0 | 0 | 0 | 112.1 | D529 L671 I672 S673 | D529-L669 PolarHBondContact OD1-N 2.79Å; D529-L669 PolarHBondContact OD2-N 2.75Å; D529-L669 VanDerWaalsContact OD2-N 3.16Å; L669-L671 VanDerWaalsContact C-N 3.32Å; L669-L671 PolarHBondContact O-N 3.26Å; L669-I672 HydrophobicContact CD2-CD1 4.27Å; L669-I672 PolarHBondContact O-N 2.87Å; L669-S673 PolarHBondContact O-N 3.23Å; L669-S673 PolarHBondContact O-OG 3.26Å |
| 670 | S | 88.6 | Confident | 91.9 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.9 | -48.2 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | D529 P530 W532 I672 S673 Q674 | D529-S670 VanDerWaalsContact OD1-CB 3.29Å; D529-S670 WeakPolarHBondContact OD1-CB 3.5Å; D529-S670 PolarHBondContact OD1-N 2.87Å; P530-S670 PolarHBondContact O-OG 3.42Å; W532-S670 WeakPolarHBondContact CB-OG 3.47Å; S670-I672 PolarHBondContact O-N 3.33Å; S670-S673 WeakPolarHBondContact O-CB 3.46Å; S670-S673 PolarHBondContact O-N 3.39Å; S670-Q674 WeakPolarHBondContact O-CG 3.27Å; S670-Q674 PolarHBondContact O-N 2.93Å; S670-Q674 PolarHBondContact OG-NE2 2.94Å |
| 671 | L | 91.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.8 | 177 | 53.7 | 0 | 0 | 0 | 113.2 | I518 V659 W664 N667 L669 S673 Q674 V675 | I518-L671 HydrophobicContact CD1-CD1 3.32Å; I518-L671 HydrophobicContact CD1-CD2 4.01Å; I518-L671 HydrophobicContact CD1-CG 4.22Å; V659-L671 HydrophobicContact CG2-CD1 4.44Å; V659-L671 HydrophobicContact CG2-CD2 3.96Å; V659-L671 HydrophobicContact CG2-CG 4.17Å; W664-L671 HydrophobicContact CB-CD2 3.76Å; W664-L671 HydrophobicContact CD2-CD2 4.04Å; W664-L671 HydrophobicContact CE3-CD2 3.58Å; W664-L671 HydrophobicContact CG-CD2 4.15Å; W664-L671 HydrophobicContact CZ3-CD2 4.44Å; N667-L671 HydrophobicContact CB-CB 4.33Å; N667-L671 HydrophobicContact CB-CD2 3.71Å; L669-L671 VanDerWaalsContact C-N 3.32Å; L669-L671 PolarHBondContact O-N 3.26Å; L671-S673 VanDerWaalsContact C-N 3.33Å; L671-Q674 PolarHBondContact O-N 3.2Å; L671-V675 HydrophobicContact CD1-CG2 4.08Å; L671-V675 WeakPolarHBondContact O-CG2 3.34Å; L671-V675 PolarHBondContact O-N 3.49Å |
| 672 | I | 91 | Very high | 91.4 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 179.7 | -59.2 | 179.8 | 0 | 0 | 0 | 109.8 | L669 S670 V675 F676 | L669-I672 HydrophobicContact CD2-CD1 4.27Å; L669-I672 PolarHBondContact O-N 2.87Å; S670-I672 PolarHBondContact O-N 3.33Å; I672-V675 PolarHBondContact O-N 3.22Å; I672-F676 WeakPolarHBondContact O-CB 3.37Å; I672-F676 PolarHBondContact O-N 3.17Å |
| 673 | S | 91.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | L669 S670 L671 V675 F676 Y677 | L669-S673 PolarHBondContact O-N 3.23Å; L669-S673 PolarHBondContact O-OG 3.26Å; S670-S673 WeakPolarHBondContact O-CB 3.46Å; S670-S673 PolarHBondContact O-N 3.39Å; L671-S673 VanDerWaalsContact C-N 3.33Å; S673-V675 PolarHBondContact O-N 3.06Å; S673-F676 WeakPolarHBondContact O-CB 2.9Å; S673-F676 PolarHBondContact O-N 3.49Å; S673-F676 VanDerWaalsContact O-N 3.15Å; S673-Y677 VanDerWaalsContact O-CD2 3.28Å; S673-Y677 WeakPolarHBondContact O-CD2 2.91Å; S673-Y677 PolarHBondContact O-N 3.13Å |
| 674 | Q | 92.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 175.9 | -75.3 | 180 | 43 | 0 | 0 | 112.5 | W532 I607 S670 L671 F676 Y677 Y678 | W532-Q674 HydrophobicContact CB-CG 4.09Å; W532-Q674 HydrophobicContact CD2-CG 4.34Å; W532-Q674 HydrophobicContact CE3-CG 4.11Å; W532-Q674 HydrophobicContact CG-CG 4.33Å; I607-Q674 HydrophobicContact CD1-CB 3.73Å; I607-Q674 HydrophobicContact CD1-CG 4.35Å; I607-Q674 WeakPolarHBondContact CD1-O 3.29Å; S670-Q674 WeakPolarHBondContact O-CG 3.27Å; S670-Q674 PolarHBondContact O-N 2.93Å; S670-Q674 PolarHBondContact OG-NE2 2.94Å; L671-Q674 PolarHBondContact O-N 3.2Å; Q674-F676 VanDerWaalsContact C-N 3.33Å; Q674-F676 PolarHBondContact O-N 3.49Å; Q674-Y677 PolarHBondContact O-N 3.48Å; Q674-Y678 WeakPolarHBondContact O-CB 2.91Å; Q674-Y678 PolarHBondContact O-N 3.31Å |
| 675 | V | 93.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -35.5 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 112 | V656 V659 L671 I672 S673 | V656-V675 HydrophobicContact CG1-CG1 4.05Å; V656-V675 HydrophobicContact CG2-CG1 4.06Å; V656-V675 HydrophobicContact CG2-CG2 4.27Å; V659-V675 HydrophobicContact CG2-CG2 4.27Å; L671-V675 HydrophobicContact CD1-CG2 4.08Å; L671-V675 WeakPolarHBondContact O-CG2 3.34Å; L671-V675 PolarHBondContact O-N 3.49Å; I672-V675 PolarHBondContact O-N 3.22Å; S673-V675 PolarHBondContact O-N 3.06Å |
| 676 | F | 92.7 | Very high | 91.2 | Very high | 118 Ų | 118 | 45.1 Ų | 45.1 | 52% | 0.518 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 173 | 170.4 | -93 | 0 | 0 | 0 | 111.5 | I672 S673 Q674 Y678 Q679 D680 | I672-F676 WeakPolarHBondContact O-CB 3.37Å; I672-F676 PolarHBondContact O-N 3.17Å; S673-F676 WeakPolarHBondContact O-CB 2.9Å; S673-F676 PolarHBondContact O-N 3.49Å; S673-F676 VanDerWaalsContact O-N 3.15Å; Q674-F676 VanDerWaalsContact C-N 3.33Å; Q674-F676 PolarHBondContact O-N 3.49Å; F676-Y678 VanDerWaalsContact C-N 3.34Å; F676-Y678 PolarHBondContact O-N 3.47Å; F676-Q679 PolarHBondContact O-N 3.35Å; F676-D680 HydrophobicContact CE1-CB 4.36Å; F676-D680 PolarHBondContact O-N 3.19Å |
| 677 | Y | 92.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.9 | -81.3 | -78.9 | 0 | 0 | 0 | 112.9 | W532 I536 S673 Q674 Q679 D680 C683 | W532-Y677 AromaticContact CH2-CD2 3.83Å; W532-Y677 HydrophobicContact CH2-CD2 3.83Å; W532-Y677 AromaticContact CH2-CE2 3.42Å; W532-Y677 HydrophobicContact CH2-CE2 3.42Å; W532-Y677 VanDerWaalsContact CH2-CE2 3.42Å; W532-Y677 AromaticContact CZ3-CD2 3.55Å; W532-Y677 HydrophobicContact CZ3-CD2 3.55Å; W532-Y677 AromaticContact CZ3-CE2 3.63Å; W532-Y677 HydrophobicContact CZ3-CE2 3.63Å; I536-Y677 HydrophobicContact CG2-CD1 4.07Å; I536-Y677 HydrophobicContact CG2-CD2 4.49Å; I536-Y677 HydrophobicContact CG2-CG 4.02Å; S673-Y677 VanDerWaalsContact O-CD2 3.28Å; S673-Y677 WeakPolarHBondContact O-CD2 2.91Å; S673-Y677 PolarHBondContact O-N 3.13Å; Q674-Y677 PolarHBondContact O-N 3.48Å; Y677-Q679 PolarHBondContact O-N 3.09Å; Y677-Q679 VanDerWaalsContact O-N 3.13Å; Y677-D680 PolarHBondContact O-N 2.9Å; Y677-D680 VanDerWaalsContact O-N 3.12Å; Y677-C683 PolarHBondContact O-SG 3.24Å |
| 678 | Y | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.2 | -34.3 | 174.4 | 172.9 | -115.3 | 0 | 0 | 0 | 113.5 | C652 V656 Q674 F676 M687 Y688 D691 | C652-Y678 VanDerWaalsContact SG-CZ 3.53Å; V656-Y678 HydrophobicContact CG2-CD1 3.73Å; V656-Y678 HydrophobicContact CG2-CE1 3.72Å; Q674-Y678 WeakPolarHBondContact O-CB 2.91Å; Q674-Y678 PolarHBondContact O-N 3.31Å; F676-Y678 VanDerWaalsContact C-N 3.34Å; F676-Y678 PolarHBondContact O-N 3.47Å; Y678-M687 HydrophobicContact CD2-CB 3.86Å; Y678-M687 HydrophobicContact CD2-CE 4.19Å; Y678-M687 HydrophobicContact CE2-CB 4.14Å; Y678-Y688 HydrophobicContact CD1-CD2 4.42Å; Y678-Y688 AromaticContact CE1-CD2 3.56Å; Y678-Y688 HydrophobicContact CE1-CD2 3.56Å; Y678-Y688 HydrophobicContact CE1-CE2 4.37Å; Y678-Y688 HydrophobicContact CE1-CG 4.36Å; Y678-Y688 AromaticContact CZ-CD2 3.74Å; Y678-Y688 WeakPolarHBondContact O-CB 3.39Å; Y678-D691 VanDerWaalsContact CE2-OD2 3.22Å; Y678-D691 WeakPolarHBondContact CE2-OD2 3.44Å; Y678-D691 PolarHBondContact OH-OD2 2.93Å |
| 679 | Q | 93 | Very high | 92.3 | Very high | 85 Ų | 85 | 39.9 Ų | 39.9 | 40% | 0.397 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -102.5 | -7.8 | -179.5 | -56.5 | -172.8 | -55.3 | 0 | 0 | 113.9 | F676 Y677 | F676-Q679 PolarHBondContact O-N 3.35Å; Y677-Q679 PolarHBondContact O-N 3.09Å; Y677-Q679 VanDerWaalsContact O-N 3.13Å |
| 680 | D | 92.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 35.2 Ų | 35.2 | 17% | 0.171 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -70.3 | 145 | -177.2 | -176.1 | -99.9 | 0 | 0 | 0 | 112.5 | F676 Y677 K682 C683 R684 | F676-D680 HydrophobicContact CE1-CB 4.36Å; F676-D680 PolarHBondContact O-N 3.19Å; Y677-D680 PolarHBondContact O-N 2.9Å; Y677-D680 VanDerWaalsContact O-N 3.12Å; D680-K682 PolarHBondContact O-N 2.98Å; D680-K682 VanDerWaalsContact OD1-CB 3.22Å; D680-K682 WeakPolarHBondContact OD1-CB 3.42Å; D680-K682 WeakPolarHBondContact OD1-CD 3.45Å; D680-K682 WeakPolarHBondContact OD1-CG 3.46Å; D680-K682 PolarHBondContact OD1-N 3.34Å; D680-C683 PolarHBondContact O-N 3.07Å; D680-C683 VanDerWaalsContact O-N 3.08Å; D680-R684 WeakPolarHBondContact O-CB 3.29Å; D680-R684 PolarHBondContact O-N 3.44Å |
| 681 | V | 91.8 | Very high | 93.2 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27 | -178.1 | 67 | 0 | 0 | 0 | 0 | 113.6 | C683 L790 | V681-C683 PolarHBondContact O-N 3.27Å; V681-L790 VanDerWaalsContact CG2-C 3.42Å |
| 682 | K | 88.4 | Confident | 93.5 | Very high | 105 Ų | 105 | 35 Ų | 35 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.3 | 179.2 | -68.9 | 170.4 | -176.2 | 176.8 | 0 | 113.9 | M540 K543 D680 | M540-K682 HydrophobicContact CE-CB 4.4Å; M540-K682 HydrophobicContact CE-CD 4.09Å; K543-K682 VanDerWaalsContact CD-O 3.29Å; K543-K682 WeakPolarHBondContact CD-O 3.23Å; K543-K682 PolarHBondContact NZ-O 3.25Å; D680-K682 PolarHBondContact O-N 2.98Å; D680-K682 VanDerWaalsContact OD1-CB 3.22Å; D680-K682 WeakPolarHBondContact OD1-CB 3.42Å; D680-K682 WeakPolarHBondContact OD1-CD 3.45Å; D680-K682 WeakPolarHBondContact OD1-CG 3.46Å; D680-K682 PolarHBondContact OD1-N 3.34Å |
| 683 | C | 88.9 | Confident | 93.9 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.6 | -9.1 | -172.4 | 39.3 | 0 | 0 | 0 | 0 | 116.1 | Y677 D680 V681 E685 E686 M687 | Y677-C683 PolarHBondContact O-SG 3.24Å; D680-C683 PolarHBondContact O-N 3.07Å; D680-C683 VanDerWaalsContact O-N 3.08Å; V681-C683 PolarHBondContact O-N 3.27Å; C683-E685 PolarHBondContact O-N 3.29Å; C683-E685 VanDerWaalsContact O-N 3.11Å; C683-E686 CarbonylContact O-C 3.56Å; C683-E686 PolarHBondContact O-N 3.09Å; C683-M687 HydrophobicContact CB-CG 4.34Å; C683-M687 HydrophobicContact CB-SD 3.9Å; C683-M687 WeakPolarHBondContact O-CG 3.49Å; C683-M687 PolarHBondContact O-N 2.89Å; C683-M687 VanDerWaalsContact O-N 3.13Å |
| 684 | R | 92.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 6% | 0.064 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -50.8 | -38.3 | -178.7 | 70.8 | -173.3 | -168.4 | -152.1 | 4.3 | 114.1 | D680 E686 M687 Y688 D689 E771 H837 | D680-R684 WeakPolarHBondContact O-CB 3.29Å; D680-R684 PolarHBondContact O-N 3.44Å; R684-E686 VanDerWaalsContact C-N 3.27Å; R684-E686 PolarHBondContact O-N 3.44Å; R684-M687 CarbonylContact O-C 3.52Å; R684-M687 PolarHBondContact O-N 3.43Å; R684-Y688 PolarHBondContact O-N 2.99Å; R684-D689 PolarHBondContact O-N 3.02Å; R684-E771 IonicContact CZ-OE1 3.69Å; R684-E771 IonicContact NH2-OE1 3.09Å; R684-E771 PolarHBondContact NH2-OE1 2.73Å; R684-E771 IonicContact NH2-OE2 2.77Å; R684-E771 PolarHBondContact NH2-OE2 3.48Å; R684-H837 VanDerWaalsContact CD-CD2 3.48Å; R684-H837 WeakPolarHBondContact CD-CD2 3.31Å; R684-H837 PolarHBondContact NE-CD2 3.14Å; R684-H837 VanDerWaalsContact NE-CD2 3.32Å; R684-H837 PolarHBondContact NE-ND1 2.86Å; R684-H837 PolarHBondContact NH2-ND1 2.95Å; R684-H837 VanDerWaalsContact NH2-ND1 3.14Å |
| 685 | E | 92.1 | Very high | 94.5 | Very high | 71 Ų | 71 | 28.5 Ų | 28.5 | 33% | 0.332 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -58.9 | -31.6 | 178.3 | -69.7 | -164.5 | 138.4 | 0 | 0 | 114 | C683 K690 P791 | C683-E685 PolarHBondContact O-N 3.29Å; C683-E685 VanDerWaalsContact O-N 3.11Å; E685-K690 WeakPolarHBondContact O-CG 3.38Å; E685-K690 PolarHBondContact O-NZ 2.83Å; E685-P791 VanDerWaalsContact CD-CB 3.4Å; E685-P791 HydrophobicContact CG-CB 4.03Å; E685-P791 HydrophobicContact CG-CG 4.4Å; E685-P791 VanDerWaalsContact OE1-CG 3.3Å; E685-P791 WeakPolarHBondContact OE1-CG 3.42Å; E685-P791 WeakPolarHBondContact OE2-CB 3.14Å |
| 686 | E | 92.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -108.2 | 12.4 | 176.2 | -64.9 | -57.2 | 131.2 | 0 | 0 | 112.2 | Q550 R613 C683 R684 K690 | Q550-E686 PolarHBondContact NE2-OE2 3.22Å; R613-E686 WeakPolarHBondContact CD-O 3.41Å; C683-E686 CarbonylContact O-C 3.56Å; C683-E686 PolarHBondContact O-N 3.09Å; R684-E686 VanDerWaalsContact C-N 3.27Å; R684-E686 PolarHBondContact O-N 3.44Å; E686-K690 VanDerWaalsContact CD-NZ 3.27Å; E686-K690 WeakPolarHBondContact OE1-CE 3.22Å; E686-K690 IonicContact OE1-NZ 2.65Å; E686-K690 PolarHBondContact OE1-NZ 3.34Å; E686-K690 WeakPolarHBondContact OE2-CE 3.48Å; E686-K690 IonicContact OE2-NZ 2.99Å; E686-K690 PolarHBondContact OE2-NZ 3.44Å |
| 687 | M | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -97 | 177.6 | -63.5 | -172.3 | 85.6 | 0 | 0 | 110.6 | Q539 I607 R613 Y678 C683 R684 D689 K690 D691 | Q539-M687 HydrophobicContact CG-CE 4.2Å; Q539-M687 HydrophobicContact CG-SD 3.99Å; I607-M687 HydrophobicContact CD1-CE 4.26Å; R613-M687 PolarHBondContact NE-O 3.43Å; Y678-M687 HydrophobicContact CD2-CB 3.86Å; Y678-M687 HydrophobicContact CD2-CE 4.19Å; Y678-M687 HydrophobicContact CE2-CB 4.14Å; C683-M687 HydrophobicContact CB-CG 4.34Å; C683-M687 HydrophobicContact CB-SD 3.9Å; C683-M687 WeakPolarHBondContact O-CG 3.49Å; C683-M687 PolarHBondContact O-N 2.89Å; C683-M687 VanDerWaalsContact O-N 3.13Å; R684-M687 CarbonylContact O-C 3.52Å; R684-M687 PolarHBondContact O-N 3.43Å; M687-D689 PolarHBondContact O-N 3.08Å; M687-K690 PolarHBondContact O-N 2.91Å; M687-D691 PolarHBondContact O-N 3.15Å |
| 688 | Y | 96.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 19.7 Ų | 19.7 | 6% | 0.059 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -51.7 | -49 | -177.4 | -178.2 | -120.2 | 0 | 0 | 0 | 114.2 | L653 Y678 R684 K690 D691 I692 Y749 Y836 | L653-Y688 HydrophobicContact CD2-CD2 3.9Å; L653-Y688 HydrophobicContact CD2-CE2 3.55Å; Y678-Y688 HydrophobicContact CD1-CD2 4.42Å; Y678-Y688 AromaticContact CE1-CD2 3.56Å; Y678-Y688 HydrophobicContact CE1-CD2 3.56Å; Y678-Y688 HydrophobicContact CE1-CE2 4.37Å; Y678-Y688 HydrophobicContact CE1-CG 4.36Å; Y678-Y688 AromaticContact CZ-CD2 3.74Å; Y678-Y688 WeakPolarHBondContact O-CB 3.39Å; R684-Y688 PolarHBondContact O-N 2.99Å; Y688-K690 VanDerWaalsContact C-N 3.34Å; Y688-K690 PolarHBondContact O-N 2.96Å; Y688-D691 WeakPolarHBondContact O-CB 3.45Å; Y688-D691 PolarHBondContact O-N 2.84Å; Y688-D691 VanDerWaalsContact O-N 3.14Å; Y688-I692 HydrophobicContact CE2-CD1 4.49Å; Y688-I692 HydrophobicContact CE2-CG1 4.48Å; Y688-I692 PolarHBondContact O-N 2.68Å; Y688-I692 VanDerWaalsContact O-N 3.12Å; Y688-Y749 WeakPolarHBondContact OH-CD2 3.38Å; Y688-Y749 WeakPolarHBondContact OH-CE2 3.23Å; Y688-Y836 HydrophobicContact CD1-CD2 4.26Å; Y688-Y836 AromaticContact CE1-CD2 3.79Å; Y688-Y836 HydrophobicContact CE1-CD2 3.79Å |
| 689 | D | 97.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | -178.1 | -71.1 | 50 | 0 | 0 | 0 | 111.7 | R684 M687 D691 I692 I693 Y836 H837 | R684-D689 PolarHBondContact O-N 3.02Å; M687-D689 PolarHBondContact O-N 3.08Å; D689-D691 VanDerWaalsContact C-N 3.3Å; D689-D691 PolarHBondContact O-N 3.14Å; D689-I692 PolarHBondContact O-N 3.08Å; D689-I693 WeakPolarHBondContact O-CB 3.45Å; D689-I693 WeakPolarHBondContact O-CD1 3.49Å; D689-I693 WeakPolarHBondContact O-CG1 3.29Å; D689-I693 PolarHBondContact O-N 3.01Å; D689-Y836 VanDerWaalsContact OD2-CE2 3.28Å; D689-Y836 WeakPolarHBondContact OD2-CE2 3.35Å; D689-Y836 PolarHBondContact OD2-OH 3.21Å; D689-H837 IonicContact OD1-CD2 3.75Å; D689-H837 IonicContact OD1-NE2 3.62Å; D689-H837 PolarHBondContact OD1-NE2 2.74Å; D689-H837 IonicContact OD2-CE1 3.5Å; D689-H837 PolarHBondContact OD2-CE1 3.25Å; D689-H837 IonicContact OD2-NE2 2.78Å; D689-H837 PolarHBondContact OD2-NE2 2.83Å |
| 690 | K | 97.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 16 Ų | 16 | 9% | 0.087 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.4 | -29.4 | 177.9 | -66.1 | -66.1 | -167.3 | -66.7 | 0 | 112.5 | R613 A616 E685 E686 M687 Y688 I693 M694 | R613-K690 HydrophobicContact CB-CB 3.58Å; R613-K690 HydrophobicContact CB-CG 4.02Å; R613-K690 HydrophobicContact CG-CB 3.6Å; A616-K690 HydrophobicContact CB-CD 4.41Å; E685-K690 WeakPolarHBondContact O-CG 3.38Å; E685-K690 PolarHBondContact O-NZ 2.83Å; E686-K690 VanDerWaalsContact CD-NZ 3.27Å; E686-K690 WeakPolarHBondContact OE1-CE 3.22Å; E686-K690 IonicContact OE1-NZ 2.65Å; E686-K690 PolarHBondContact OE1-NZ 3.34Å; E686-K690 WeakPolarHBondContact OE2-CE 3.48Å; E686-K690 IonicContact OE2-NZ 2.99Å; E686-K690 PolarHBondContact OE2-NZ 3.44Å; M687-K690 PolarHBondContact O-N 2.91Å; Y688-K690 VanDerWaalsContact C-N 3.34Å; Y688-K690 PolarHBondContact O-N 2.96Å; K690-I693 HydrophobicContact CD-CD1 4.31Å; K690-M694 PolarHBondContact O-N 3.06Å |
| 691 | D | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.9 | -43.3 | 174.6 | -69 | -18 | 0 | 0 | 0 | 111 | R613 P649 L653 Y678 M687 Y688 D689 M694 L695 | R613-D691 WeakPolarHBondContact CG-OD1 3.23Å; R613-D691 IonicContact CZ-OD1 2.88Å; R613-D691 IonicContact CZ-OD2 2.75Å; R613-D691 IonicContact NE-OD1 3.31Å; R613-D691 PolarHBondContact NE-OD1 2.75Å; R613-D691 IonicContact NE-OD2 3.94Å; R613-D691 PolarHBondContact NE-OD2 3.3Å; R613-D691 IonicContact NH2-OD1 2.75Å; R613-D691 PolarHBondContact NH2-OD1 2.93Å; R613-D691 IonicContact NH2-OD2 3.2Å; R613-D691 PolarHBondContact NH2-OD2 3.23Å; P649-D691 HydrophobicContact CB-CB 3.83Å; L653-D691 HydrophobicContact CD1-CB 4.35Å; L653-D691 HydrophobicContact CG-CB 4.47Å; Y678-D691 VanDerWaalsContact CE2-OD2 3.22Å; Y678-D691 WeakPolarHBondContact CE2-OD2 3.44Å; Y678-D691 PolarHBondContact OH-OD2 2.93Å; M687-D691 PolarHBondContact O-N 3.15Å; Y688-D691 WeakPolarHBondContact O-CB 3.45Å; Y688-D691 PolarHBondContact O-N 2.84Å; Y688-D691 VanDerWaalsContact O-N 3.14Å; D689-D691 VanDerWaalsContact C-N 3.3Å; D689-D691 PolarHBondContact O-N 3.14Å; D691-M694 PolarHBondContact O-N 2.64Å; D691-L695 PolarHBondContact O-N 2.27Å; D691-L695 VanDerWaalsContact O-N 3.07Å |
| 692 | I | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 171.7 | -60.7 | -63.7 | 0 | 0 | 0 | 110.9 | L653 Y688 D689 M694 L695 Q696 Y749 | L653-I692 HydrophobicContact CD1-CD1 3.97Å; L653-I692 HydrophobicContact CD2-CD1 4.09Å; Y688-I692 HydrophobicContact CE2-CD1 4.49Å; Y688-I692 HydrophobicContact CE2-CG1 4.48Å; Y688-I692 PolarHBondContact O-N 2.68Å; Y688-I692 VanDerWaalsContact O-N 3.12Å; D689-I692 PolarHBondContact O-N 3.08Å; I692-M694 VanDerWaalsContact C-N 3.34Å; I692-M694 PolarHBondContact O-N 3.09Å; I692-L695 CarbonylContact O-C 3.59Å; I692-L695 WeakPolarHBondContact O-CB 3.4Å; I692-L695 PolarHBondContact O-N 2.79Å; I692-L695 VanDerWaalsContact O-N 3.13Å; I692-Q696 WeakPolarHBondContact O-CG 3.36Å; I692-Q696 PolarHBondContact O-N 2.92Å; I692-Y749 HydrophobicContact CD1-CD2 4.41Å |
| 693 | I | 98.4 | Very high | 96 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 4% | 0.036 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.9 | -68.6 | 162.9 | 0 | 0 | 0 | 111.2 | A616 V620 D689 K690 L695 Q696 I697 V756 V759 | A616-I693 HydrophobicContact CB-CG2 4.06Å; V620-I693 HydrophobicContact CG2-CG2 3.52Å; D689-I693 WeakPolarHBondContact O-CB 3.45Å; D689-I693 WeakPolarHBondContact O-CD1 3.49Å; D689-I693 WeakPolarHBondContact O-CG1 3.29Å; D689-I693 PolarHBondContact O-N 3.01Å; K690-I693 HydrophobicContact CD-CD1 4.31Å; I693-L695 VanDerWaalsContact C-N 3.31Å; I693-L695 PolarHBondContact O-N 1.95Å; I693-Q696 WeakPolarHBondContact O-CB 3.45Å; I693-Q696 PolarHBondContact O-N 3.49Å; I693-Q696 VanDerWaalsContact O-N 3.13Å; I693-I697 HydrophobicContact CG2-CD1 4.21Å; I693-I697 WeakPolarHBondContact O-CG1 3.41Å; I693-I697 PolarHBondContact O-N 3.32Å; I693-V756 HydrophobicContact CD1-CG1 4.07Å; I693-V756 HydrophobicContact CD1-CG2 4.34Å; I693-V759 HydrophobicContact CG1-CG2 4.23Å; I693-V759 HydrophobicContact CG2-CG2 4.36Å |
| 694 | M | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.8 | -170.8 | 60.9 | 85.5 | 0 | 0 | 112 | S612 L615 A616 L645 P649 K690 D691 I692 Q696 I697 G698 | S612-M694 WeakPolarHBondContact O-CE 3.41Å; L615-M694 HydrophobicContact CB-CE 4.04Å; L615-M694 HydrophobicContact CD2-CE 4.12Å; L615-M694 HydrophobicContact CG-CE 4.27Å; A616-M694 HydrophobicContact CB-CB 4.24Å; A616-M694 HydrophobicContact CB-CE 3.98Å; L645-M694 HydrophobicContact CB-SD 4.17Å; P649-M694 HydrophobicContact CB-CB 4.32Å; P649-M694 HydrophobicContact CG-CB 3.79Å; P649-M694 HydrophobicContact CG-CG 3.83Å; K690-M694 PolarHBondContact O-N 3.06Å; D691-M694 PolarHBondContact O-N 2.64Å; I692-M694 VanDerWaalsContact C-N 3.34Å; I692-M694 PolarHBondContact O-N 3.09Å; M694-Q696 VanDerWaalsContact C-N 3.34Å; M694-I697 PolarHBondContact O-N 3.24Å; M694-I697 HydrophobicContact SD-CB 4.37Å; M694-I697 HydrophobicContact SD-CD1 4.05Å; M694-G698 PolarHBondContact O-N 3.04Å |
| 695 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.6 | -32.8 | 171.1 | -65.8 | -164.6 | 0 | 0 | 0 | 112.7 | V646 P649 L650 L653 D691 I692 I693 G698 A699 F707 V746 I750 | V646-L695 HydrophobicContact CB-CD2 3.93Å; V646-L695 HydrophobicContact CG1-CD2 4.3Å; P649-L695 HydrophobicContact CB-CD2 4.43Å; L650-L695 HydrophobicContact CB-CD2 4.08Å; L650-L695 HydrophobicContact CD1-CD1 4.24Å; L653-L695 HydrophobicContact CD1-CD1 3.47Å; L653-L695 VanDerWaalsContact CD1-CD1 3.47Å; L653-L695 HydrophobicContact CD1-CG 4.21Å; D691-L695 PolarHBondContact O-N 2.27Å; D691-L695 VanDerWaalsContact O-N 3.07Å; I692-L695 CarbonylContact O-C 3.59Å; I692-L695 WeakPolarHBondContact O-CB 3.4Å; I692-L695 PolarHBondContact O-N 2.79Å; I692-L695 VanDerWaalsContact O-N 3.13Å; I693-L695 VanDerWaalsContact C-N 3.31Å; I693-L695 PolarHBondContact O-N 1.95Å; L695-G698 PolarHBondContact O-N 2.96Å; L695-A699 VanDerWaalsContact O-CB 3.31Å; L695-A699 WeakPolarHBondContact O-CB 3.43Å; L695-A699 PolarHBondContact O-N 2.87Å; L695-F707 HydrophobicContact CB-CZ 4.19Å; L695-F707 HydrophobicContact CD2-CZ 4.49Å; L695-F707 WeakPolarHBondContact O-CZ 3.36Å; L695-V746 HydrophobicContact CD1-CG1 4.13Å; L695-I750 HydrophobicContact CB-CD1 3.85Å; L695-I750 HydrophobicContact CB-CG1 3.97Å; L695-I750 HydrophobicContact CD1-CD1 3.89Å |
| 696 | Q | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 171.6 | -70.9 | 174.3 | -36.3 | 0 | 0 | 112.4 | I692 I693 M694 G698 A699 S700 I750 E753 F875 V878 | I692-Q696 WeakPolarHBondContact O-CG 3.36Å; I692-Q696 PolarHBondContact O-N 2.92Å; I693-Q696 WeakPolarHBondContact O-CB 3.45Å; I693-Q696 PolarHBondContact O-N 3.49Å; I693-Q696 VanDerWaalsContact O-N 3.13Å; M694-Q696 VanDerWaalsContact C-N 3.34Å; Q696-G698 VanDerWaalsContact C-N 3.32Å; Q696-A699 PolarHBondContact O-N 3.23Å; Q696-S700 PolarHBondContact O-N 2.77Å; Q696-I750 HydrophobicContact CG-CB 4.45Å; Q696-I750 HydrophobicContact CG-CG2 4.04Å; Q696-I750 WeakPolarHBondContact CG-O 3.31Å; Q696-I750 PolarHBondContact NE2-O 3.22Å; Q696-E753 PolarHBondContact NE2-O 3.41Å; Q696-F875 HydrophobicContact CB-CD1 3.91Å; Q696-F875 HydrophobicContact CB-CE1 3.86Å; Q696-V878 HydrophobicContact CB-CG2 4.46Å; Q696-V878 VanDerWaalsContact O-CG2 3.3Å; Q696-V878 WeakPolarHBondContact O-CG2 3.36Å |
| 697 | I | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 171.1 | -63.4 | 165.1 | 0 | 0 | 0 | 109.7 | A616 H619 I693 M694 S700 L701 F875 | A616-I697 HydrophobicContact CB-CD1 4.19Å; H619-I697 HydrophobicContact CB-CD1 3.5Å; H619-I697 VanDerWaalsContact CB-CD1 3.5Å; H619-I697 HydrophobicContact CB-CG1 4.35Å; I693-I697 HydrophobicContact CG2-CD1 4.21Å; I693-I697 WeakPolarHBondContact O-CG1 3.41Å; I693-I697 PolarHBondContact O-N 3.32Å; M694-I697 PolarHBondContact O-N 3.24Å; M694-I697 HydrophobicContact SD-CB 4.37Å; M694-I697 HydrophobicContact SD-CD1 4.05Å; I697-S700 PolarHBondContact O-N 3.08Å; I697-S700 PolarHBondContact O-OG 3.46Å; I697-S700 VanDerWaalsContact O-OG 3.06Å; I697-L701 HydrophobicContact CG2-CD1 3.89Å; I697-L701 WeakPolarHBondContact O-CG 3.33Å; I697-L701 PolarHBondContact O-N 3.08Å; I697-F875 HydrophobicContact CG1-CE1 3.64Å; I697-F875 HydrophobicContact CG1-CZ 3.74Å |
| 698 | G | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54.9 | -53.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M694 L695 Q696 S700 L701 M702 | M694-G698 PolarHBondContact O-N 3.04Å; L695-G698 PolarHBondContact O-N 2.96Å; Q696-G698 VanDerWaalsContact C-N 3.32Å; G698-S700 VanDerWaalsContact C-N 3.28Å; G698-S700 PolarHBondContact O-N 3.21Å; G698-L701 PolarHBondContact O-N 2.97Å; G698-M702 VanDerWaalsContact O-CB 3.29Å; G698-M702 WeakPolarHBondContact O-CB 3.38Å; G698-M702 WeakPolarHBondContact O-CG 3.45Å; G698-M702 PolarHBondContact O-N 3.14Å |
| 699 | A | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65 | -25.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L695 Q696 F707 I750 V878 L881 | L695-A699 VanDerWaalsContact O-CB 3.31Å; L695-A699 WeakPolarHBondContact O-CB 3.43Å; L695-A699 PolarHBondContact O-N 2.87Å; Q696-A699 PolarHBondContact O-N 3.23Å; A699-F707 HydrophobicContact CB-CD1 4.46Å; A699-F707 HydrophobicContact CB-CD2 4.49Å; A699-F707 HydrophobicContact CB-CE1 4.24Å; A699-F707 HydrophobicContact CB-CE2 4.27Å; A699-F707 HydrophobicContact CB-CZ 4.14Å; A699-I750 HydrophobicContact CB-CG2 4.09Å; A699-V878 HydrophobicContact CB-CG1 4.25Å; A699-V878 HydrophobicContact CB-CG2 4.09Å; A699-L881 HydrophobicContact CB-CD1 3.58Å; A699-L881 HydrophobicContact CB-CD2 4.42Å; A699-L881 HydrophobicContact CB-CG 4.07Å |
| 700 | S | 96.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -82 | -24.2 | 176.7 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | Q696 I697 G698 A874 K877 | Q696-S700 PolarHBondContact O-N 2.77Å; I697-S700 PolarHBondContact O-N 3.08Å; I697-S700 PolarHBondContact O-OG 3.46Å; I697-S700 VanDerWaalsContact O-OG 3.06Å; G698-S700 VanDerWaalsContact C-N 3.28Å; G698-S700 PolarHBondContact O-N 3.21Å; S700-A874 WeakPolarHBondContact CB-O 3.43Å; S700-A874 PolarHBondContact OG-O 2.97Å; S700-K877 WeakPolarHBondContact O-CB 3.48Å; S700-K877 VanDerWaalsContact O-CD 3.3Å; S700-K877 WeakPolarHBondContact O-CD 3.38Å |
| 701 | L | 94.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 15.5 Ų | 15.5 | 42% | 0.424 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -107.8 | -25.4 | -174.3 | -61.3 | 176.9 | 0 | 0 | 0 | 114.4 | F640 V642 I697 G698 | F640-L701 HydrophobicContact CD1-CD1 4.34Å; F640-L701 HydrophobicContact CE1-CD1 3.51Å; F640-L701 HydrophobicContact CZ-CD1 3.88Å; V642-L701 HydrophobicContact CG1-CB 4.12Å; V642-L701 HydrophobicContact CG2-CB 3.76Å; V642-L701 HydrophobicContact CG2-CD1 4.16Å; I697-L701 HydrophobicContact CG2-CD1 3.89Å; I697-L701 WeakPolarHBondContact O-CG 3.33Å; I697-L701 PolarHBondContact O-N 3.08Å; G698-L701 PolarHBondContact O-N 2.97Å |
| 702 | M | 94.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 15.8 Ų | 15.8 | 11% | 0.113 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -86.5 | 163.3 | 178.3 | -68 | 178.7 | 58.4 | 0 | 0 | 112.9 | V642 E643 V646 G698 F707 L710 | V642-M702 HydrophobicContact CB-CG 3.9Å; V642-M702 HydrophobicContact CB-SD 4.38Å; V642-M702 HydrophobicContact CG1-CG 3.68Å; V642-M702 HydrophobicContact CG1-SD 4.03Å; E643-M702 HydrophobicContact CG-CE 3.57Å; E643-M702 HydrophobicContact CG-SD 4.06Å; V646-M702 HydrophobicContact CG2-SD 4.39Å; G698-M702 VanDerWaalsContact O-CB 3.29Å; G698-M702 WeakPolarHBondContact O-CB 3.38Å; G698-M702 WeakPolarHBondContact O-CG 3.45Å; G698-M702 PolarHBondContact O-N 3.14Å; M702-F707 HydrophobicContact CB-CB 4.32Å; M702-F707 HydrophobicContact CE-CB 4.31Å; M702-F707 HydrophobicContact CE-CD2 4.42Å; M702-F707 HydrophobicContact SD-CD2 3.91Å; M702-L710 HydrophobicContact CE-CD2 4.41Å |
| 703 | D | 95.6 | Very high | 96.5 | Very high | 72 Ų | 72 | 16.6 Ų | 16.6 | 39% | 0.385 | 9% | 0.085 | S | C | . | . | trans | -63.3 | 131.9 | 161.4 | 170.3 | -89.4 | 0 | 0 | 0 | 109.8 | N705 K706 F707 | D703-N705 VanDerWaalsContact C-N 3.3Å; D703-N705 PolarHBondContact O-N 3.34Å; D703-N705 WeakPolarHBondContact OD1-CA 3.48Å; D703-N705 VanDerWaalsContact OD1-CB 3.29Å; D703-N705 WeakPolarHBondContact OD1-CB 3.36Å; D703-N705 PolarHBondContact OD1-N 3.24Å; D703-K706 HydrophobicContact CB-CB 4.16Å; D703-K706 HydrophobicContact CB-CD 4.22Å; D703-K706 HydrophobicContact CB-CG 4.15Å; D703-K706 PolarHBondContact O-N 3.12Å; D703-K706 PolarHBondContact OD1-N 3.09Å; D703-F707 PolarHBondContact O-N 2.97Å | ||
| 704 | P | 96.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 16.3 Ų | 16.3 | 17% | 0.169 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.2 | -22.2 | -172.8 | 28.6 | -37.4 | 0 | 0 | 0 | 113.8 | L708 N880 L881 C884 | P704-L708 WeakPolarHBondContact O-CG 3.28Å; P704-L708 PolarHBondContact O-N 3.13Å; P704-N880 HydrophobicContact CB-CB 4.37Å; P704-N880 HydrophobicContact CG-CB 4.21Å; P704-L881 HydrophobicContact CB-CD2 3.81Å; P704-C884 HydrophobicContact CB-CB 3.82Å; P704-C884 HydrophobicContact CG-CB 3.9Å |
| 705 | N | 96.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 6% | 0.059 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -76.1 | -46.1 | 173.1 | -58.2 | -75.6 | 0 | 0 | 0 | 109.9 | H591 D703 F707 L708 L709 C884 D885 I886 | H591-N705 HydrophobicContact CB-CB 4.12Å; H591-N705 PolarHBondContact CE1-ND2 2.94Å; D703-N705 VanDerWaalsContact C-N 3.3Å; D703-N705 PolarHBondContact O-N 3.34Å; D703-N705 WeakPolarHBondContact OD1-CA 3.48Å; D703-N705 VanDerWaalsContact OD1-CB 3.29Å; D703-N705 WeakPolarHBondContact OD1-CB 3.36Å; D703-N705 PolarHBondContact OD1-N 3.24Å; N705-F707 VanDerWaalsContact C-N 3.32Å; N705-F707 PolarHBondContact O-N 3.37Å; N705-L708 PolarHBondContact O-N 3.21Å; N705-L709 WeakPolarHBondContact O-CG 3.39Å; N705-L709 PolarHBondContact O-N 2.89Å; N705-C884 WeakPolarHBondContact OD1-CB 3.46Å; N705-D885 PolarHBondContact OD1-N 3.16Å; N705-I886 HydrophobicContact CB-CG1 3.83Å; N705-I886 PolarHBondContact OD1-N 2.77Å |
| 706 | K | 95.8 | Very high | 95.9 | Very high | 87 Ų | 87 | 18.1 Ų | 18.1 | 38% | 0.378 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -58.4 | -42 | 174.5 | -71.8 | -171.9 | 177.4 | -174.2 | 0 | 112.4 | L593 D703 L709 L710 | L593-K706 HydrophobicContact CD1-CB 4.29Å; L593-K706 HydrophobicContact CD1-CG 4.46Å; D703-K706 HydrophobicContact CB-CB 4.16Å; D703-K706 HydrophobicContact CB-CD 4.22Å; D703-K706 HydrophobicContact CB-CG 4.15Å; D703-K706 PolarHBondContact O-N 3.12Å; D703-K706 PolarHBondContact OD1-N 3.09Å; K706-L709 PolarHBondContact O-N 3.42Å; K706-L710 PolarHBondContact O-N 3.14Å |
| 707 | F | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.3 | -176.8 | -90.1 | 0 | 0 | 0 | 111.8 | V646 L695 A699 M702 D703 N705 L709 L710 V711 I750 L881 | V646-F707 HydrophobicContact CG1-CE2 4.46Å; L695-F707 HydrophobicContact CB-CZ 4.19Å; L695-F707 HydrophobicContact CD2-CZ 4.49Å; L695-F707 WeakPolarHBondContact O-CZ 3.36Å; A699-F707 HydrophobicContact CB-CD1 4.46Å; A699-F707 HydrophobicContact CB-CD2 4.49Å; A699-F707 HydrophobicContact CB-CE1 4.24Å; A699-F707 HydrophobicContact CB-CE2 4.27Å; A699-F707 HydrophobicContact CB-CZ 4.14Å; M702-F707 HydrophobicContact CB-CB 4.32Å; M702-F707 HydrophobicContact CE-CB 4.31Å; M702-F707 HydrophobicContact CE-CD2 4.42Å; M702-F707 HydrophobicContact SD-CD2 3.91Å; D703-F707 PolarHBondContact O-N 2.97Å; N705-F707 VanDerWaalsContact C-N 3.32Å; N705-F707 PolarHBondContact O-N 3.37Å; F707-L709 PolarHBondContact O-N 3.04Å; F707-L710 WeakPolarHBondContact O-CB 3.15Å; F707-L710 PolarHBondContact O-N 3.05Å; F707-V711 HydrophobicContact CD1-CG2 4.26Å; F707-V711 HydrophobicContact CE1-CG2 3.89Å; F707-V711 HydrophobicContact CZ-CG2 4.31Å; F707-V711 WeakPolarHBondContact O-CG2 3.22Å; F707-V711 PolarHBondContact O-N 3.12Å; F707-I750 HydrophobicContact CE1-CD1 4.15Å; F707-I750 HydrophobicContact CZ-CD1 4.16Å; F707-L881 HydrophobicContact CB-CD2 4.22Å; F707-L881 HydrophobicContact CD1-CD1 4.07Å; F707-L881 HydrophobicContact CD1-CD2 3.58Å; F707-L881 HydrophobicContact CD1-CG 4.49Å; F707-L881 HydrophobicContact CE1-CD1 3.98Å; F707-L881 HydrophobicContact CE1-CD2 4.33Å; F707-L881 HydrophobicContact CG-CD2 4.18Å |
| 708 | L | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.2 | -31.1 | 177.5 | -65.9 | -172.2 | 0 | 0 | 0 | 113.5 | P704 N705 L710 V711 L712 L747 L881 C884 I886 M887 I890 | P704-L708 WeakPolarHBondContact O-CG 3.28Å; P704-L708 PolarHBondContact O-N 3.13Å; N705-L708 PolarHBondContact O-N 3.21Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-V711 PolarHBondContact O-N 2.89Å; L708-L712 WeakPolarHBondContact O-CB 3.23Å; L708-L712 WeakPolarHBondContact O-CG 3.24Å; L708-L712 PolarHBondContact O-N 2.75Å; L708-L747 HydrophobicContact CD2-CD1 4.19Å; L708-L747 HydrophobicContact CD2-CD2 3.41Å; L708-L747 VanDerWaalsContact CD2-CD2 3.41Å; L708-L747 HydrophobicContact CD2-CG 4.47Å; L708-L881 HydrophobicContact CD2-CD2 4.18Å; L708-L881 HydrophobicContact CG-CD2 4.17Å; L708-C884 WeakPolarHBondContact CD1-SG 3.39Å; L708-I886 HydrophobicContact CB-CB 4.11Å; L708-I886 HydrophobicContact CB-CG2 3.57Å; L708-I886 HydrophobicContact CD1-CB 4.25Å; L708-I886 HydrophobicContact CD1-CG2 4.14Å; L708-M887 HydrophobicContact CD1-CB 3.77Å; L708-M887 HydrophobicContact CD1-CE 4.06Å; L708-I890 HydrophobicContact CD1-CD1 4.47Å |
| 709 | L | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 170.6 | -72.1 | 177.1 | 0 | 0 | 0 | 111.5 | V586 H591 L593 N705 K706 F707 Q713 I886 | V586-L709 HydrophobicContact CG1-CD2 4.18Å; H591-L709 HydrophobicContact CB-CD1 4.03Å; L593-L709 HydrophobicContact CB-CB 3.97Å; L593-L709 HydrophobicContact CB-CD1 4.07Å; L593-L709 HydrophobicContact CD2-CB 4.11Å; N705-L709 WeakPolarHBondContact O-CG 3.39Å; N705-L709 PolarHBondContact O-N 2.89Å; K706-L709 PolarHBondContact O-N 3.42Å; F707-L709 PolarHBondContact O-N 3.04Å; L709-Q713 VanDerWaalsContact O-CB 3.28Å; L709-Q713 WeakPolarHBondContact O-CB 3.47Å; L709-Q713 PolarHBondContact O-N 3.32Å; L709-I886 HydrophobicContact CD2-CD1 3.81Å; L709-I886 HydrophobicContact CD2-CG1 4.35Å; L709-I886 HydrophobicContact CG-CD1 4.2Å; L709-I886 HydrophobicContact CG-CG1 4.27Å |
| 710 | L | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.6 | -177.1 | 61.3 | 0 | 0 | 0 | 111.4 | L593 T595 V646 L650 M702 K706 F707 L708 Q713 R714 | L593-L710 HydrophobicContact CD2-CB 3.63Å; L593-L710 HydrophobicContact CD2-CD1 4.12Å; L593-L710 HydrophobicContact CD2-CG 4.46Å; T595-L710 HydrophobicContact CG2-CD1 3.95Å; V646-L710 HydrophobicContact CG2-CD2 3.61Å; L650-L710 HydrophobicContact CD2-CD2 4.34Å; L650-L710 HydrophobicContact CD2-CG 3.93Å; M702-L710 HydrophobicContact CE-CD2 4.41Å; K706-L710 PolarHBondContact O-N 3.14Å; F707-L710 WeakPolarHBondContact O-CB 3.15Å; F707-L710 PolarHBondContact O-N 3.05Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L710-Q713 PolarHBondContact O-N 3.5Å; L710-R714 HydrophobicContact CD1-CG 4.24Å; L710-R714 WeakPolarHBondContact O-CG 3.43Å; L710-R714 PolarHBondContact O-N 3.31Å |
| 711 | V | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.8 | -54.2 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | L650 F707 L708 Q713 R714 Y715 M743 | L650-V711 HydrophobicContact CD1-CG2 4.22Å; L650-V711 HydrophobicContact CD2-CG2 4.33Å; F707-V711 HydrophobicContact CD1-CG2 4.26Å; F707-V711 HydrophobicContact CE1-CG2 3.89Å; F707-V711 HydrophobicContact CZ-CG2 4.31Å; F707-V711 WeakPolarHBondContact O-CG2 3.22Å; F707-V711 PolarHBondContact O-N 3.12Å; L708-V711 PolarHBondContact O-N 2.89Å; V711-Q713 PolarHBondContact O-N 2.74Å; V711-R714 PolarHBondContact O-N 3.15Å; V711-Y715 HydrophobicContact CG1-CD2 3.78Å; V711-Y715 HydrophobicContact CG1-CE2 3.95Å; V711-Y715 WeakPolarHBondContact O-CD2 3.4Å; V711-Y715 PolarHBondContact O-N 2.64Å; V711-M743 HydrophobicContact CG1-CG 3.77Å; V711-M743 HydrophobicContact CG1-SD 4.18Å |
| 712 | L | 94.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.2 | -37 | 177.4 | -79 | 168.5 | 0 | 0 | 0 | 112.8 | L708 E716 L717 A718 F721 M743 I886 I890 | L708-L712 WeakPolarHBondContact O-CB 3.23Å; L708-L712 WeakPolarHBondContact O-CG 3.24Å; L708-L712 PolarHBondContact O-N 2.75Å; L712-E716 PolarHBondContact O-N 2.88Å; L712-L717 HydrophobicContact CD2-CB 4.19Å; L712-L717 PolarHBondContact O-N 3.32Å; L712-A718 HydrophobicContact CB-CB 4.44Å; L712-A718 PolarHBondContact O-N 2.92Å; L712-A718 VanDerWaalsContact O-N 3.08Å; L712-F721 HydrophobicContact CD2-CD2 3.74Å; L712-F721 HydrophobicContact CD2-CE2 3.98Å; L712-F721 HydrophobicContact CD2-CG 4.41Å; L712-M743 HydrophobicContact CD2-CE 4.1Å; L712-M743 HydrophobicContact CD2-SD 3.73Å; L712-M743 HydrophobicContact CG-SD 4.36Å; L712-I886 HydrophobicContact CD1-CG2 3.8Å; L712-I890 HydrophobicContact CD1-CD1 4.11Å; L712-I890 HydrophobicContact CD1-CG1 4.42Å; L712-I890 HydrophobicContact CD2-CD1 4.28Å; L712-I890 HydrophobicContact CD2-CG1 4.48Å; L712-I890 HydrophobicContact CG-CD1 4.31Å |
| 713 | Q | 93 | Very high | 91.2 | Very high | 22 Ų | 22 | 29 Ų | 29 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.6 | -43.2 | 178.9 | -176.8 | 171 | -9.1 | 0 | 0 | 112.5 | V586 T595 L709 L710 V711 E716 | V586-Q713 HydrophobicContact CG2-CB 4.28Å; V586-Q713 VanDerWaalsContact CG2-CD 3.44Å; V586-Q713 HydrophobicContact CG2-CG 4Å; T595-Q713 VanDerWaalsContact CG2-CD 3.41Å; L709-Q713 VanDerWaalsContact O-CB 3.28Å; L709-Q713 WeakPolarHBondContact O-CB 3.47Å; L709-Q713 PolarHBondContact O-N 3.32Å; L710-Q713 PolarHBondContact O-N 3.5Å; V711-Q713 PolarHBondContact O-N 2.74Å; Q713-E716 WeakPolarHBondContact O-CA 3.41Å; Q713-E716 PolarHBondContact O-N 3.49Å |
| 714 | R | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.2 | -33.5 | 179.8 | -69.4 | -71.9 | 173.4 | -98.6 | -15 | 112.6 | T595 K596 Y598 E647 L650 V654 L710 V711 E716 | T595-R714 PolarHBondContact OG1-NH2 3.27Å; T595-R714 VanDerWaalsContact OG1-NH2 3.11Å; K596-R714 PolarHBondContact O-NH1 2.81Å; K596-R714 PolarHBondContact O-NH2 3Å; K596-R714 VanDerWaalsContact O-NH2 3.07Å; Y598-R714 PolarHBondContact O-NH1 3.27Å; E647-R714 IonicContact OE1-CZ 2.69Å; E647-R714 VanDerWaalsContact OE1-CZ 3.31Å; E647-R714 IonicContact OE1-NE 3.21Å; E647-R714 PolarHBondContact OE1-NE 3.45Å; E647-R714 VanDerWaalsContact OE1-NE 3.11Å; E647-R714 IonicContact OE1-NH2 2.64Å; E647-R714 PolarHBondContact OE1-NH2 3.42Å; E647-R714 IonicContact OE2-CZ 2.76Å; E647-R714 IonicContact OE2-NE 2.84Å; E647-R714 PolarHBondContact OE2-NE 3.12Å; E647-R714 IonicContact OE2-NH2 3.4Å; L650-R714 HydrophobicContact CD2-CB 3.89Å; L650-R714 HydrophobicContact CD2-CG 3.73Å; L650-R714 HydrophobicContact CG-CB 3.93Å; L650-R714 HydrophobicContact CG-CG 4.13Å; V654-R714 WeakPolarHBondContact CG1-O 3.5Å; V654-R714 HydrophobicContact CG2-CB 4.25Å; L710-R714 HydrophobicContact CD1-CG 4.24Å; L710-R714 WeakPolarHBondContact O-CG 3.43Å; L710-R714 PolarHBondContact O-N 3.31Å; V711-R714 PolarHBondContact O-N 3.15Å; R714-E716 PolarHBondContact O-N 3.42Å |
| 715 | Y | 96.2 | Very high | 88 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -5 | 168.1 | -85.3 | -96.9 | 0 | 0 | 0 | 113.7 | L650 V654 A657 V711 L717 E742 M743 V746 | L650-Y715 HydrophobicContact CD1-CE2 4.15Å; V654-Y715 HydrophobicContact CG2-CD1 4.25Å; V654-Y715 HydrophobicContact CG2-CD2 3.43Å; V654-Y715 VanDerWaalsContact CG2-CD2 3.43Å; V654-Y715 HydrophobicContact CG2-CE1 4.3Å; V654-Y715 HydrophobicContact CG2-CE2 3.48Å; V654-Y715 VanDerWaalsContact CG2-CE2 3.48Å; V654-Y715 HydrophobicContact CG2-CG 3.84Å; A657-Y715 HydrophobicContact CB-CD1 4.45Å; A657-Y715 HydrophobicContact CB-CE1 3.68Å; V711-Y715 HydrophobicContact CG1-CD2 3.78Å; V711-Y715 HydrophobicContact CG1-CE2 3.95Å; V711-Y715 WeakPolarHBondContact O-CD2 3.4Å; V711-Y715 PolarHBondContact O-N 2.64Å; Y715-L717 HydrophobicContact CD1-CD1 4.48Å; Y715-L717 HydrophobicContact CG-CD1 4.49Å; Y715-L717 PolarHBondContact O-N 2.87Å; Y715-E742 HydrophobicContact CE1-CB 4.34Å; Y715-M743 HydrophobicContact CD1-CB 3.75Å; Y715-M743 HydrophobicContact CD1-CG 4.31Å; Y715-M743 HydrophobicContact CD2-CB 4.33Å; Y715-M743 HydrophobicContact CD2-CG 4.03Å; Y715-M743 HydrophobicContact CE1-CB 3.72Å; Y715-M743 HydrophobicContact CE1-CG 4.42Å; Y715-M743 HydrophobicContact CE2-CB 4.32Å; Y715-M743 HydrophobicContact CE2-CG 4.17Å; Y715-M743 HydrophobicContact CG-CB 4.06Å; Y715-M743 HydrophobicContact CG-CG 4.11Å; Y715-V746 WeakPolarHBondContact OH-CG2 3.39Å |
| 716 | E | 93.8 | Very high | 86.1 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 25.1 | -178.1 | -49.9 | -177 | -133.7 | 0 | 0 | 113.3 | R599 S601 Q658 L712 Q713 R714 | R599-E716 IonicContact CZ-OE2 2.68Å; R599-E716 IonicContact NE-OE2 3.32Å; R599-E716 PolarHBondContact NE-OE2 2.91Å; R599-E716 IonicContact NH2-OE2 2.66Å; R599-E716 PolarHBondContact NH2-OE2 3.37Å; S601-E716 WeakPolarHBondContact CB-OE1 3.49Å; S601-E716 PolarHBondContact N-OE1 3.42Å; S601-E716 PolarHBondContact OG-OE1 3.23Å; S601-E716 PolarHBondContact OG-OE2 2.87Å; Q658-E716 PolarHBondContact NE2-OE1 3.48Å; Q658-E716 VanDerWaalsContact NE2-OE1 3.15Å; L712-E716 PolarHBondContact O-N 2.88Å; Q713-E716 WeakPolarHBondContact O-CA 3.41Å; Q713-E716 PolarHBondContact O-N 3.49Å; R714-E716 PolarHBondContact O-N 3.42Å |
| 717 | L | 93.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -100.5 | -7.1 | -176.7 | -68.4 | 174.9 | 0 | 0 | 0 | 114.4 | L712 Y715 E719 A720 F721 Y736 L739 I740 M743 | L712-L717 HydrophobicContact CD2-CB 4.19Å; L712-L717 PolarHBondContact O-N 3.32Å; Y715-L717 HydrophobicContact CD1-CD1 4.48Å; Y715-L717 HydrophobicContact CG-CD1 4.49Å; Y715-L717 PolarHBondContact O-N 2.87Å; L717-E719 VanDerWaalsContact C-N 3.34Å; L717-E719 PolarHBondContact O-N 3.28Å; L717-A720 HydrophobicContact CD2-CB 4.1Å; L717-A720 WeakPolarHBondContact O-CA 3.49Å; L717-A720 VanDerWaalsContact O-CB 3.32Å; L717-A720 WeakPolarHBondContact O-CB 3.35Å; L717-A720 PolarHBondContact O-N 3.34Å; L717-F721 HydrophobicContact CB-CD2 4.31Å; L717-F721 HydrophobicContact CB-CE2 4.4Å; L717-F721 PolarHBondContact O-N 3.41Å; L717-Y736 HydrophobicContact CD2-CD1 3.84Å; L717-L739 HydrophobicContact CD1-CB 4.3Å; L717-L739 HydrophobicContact CD2-CB 4.23Å; L717-L739 HydrophobicContact CG-CB 4.5Å; L717-I740 HydrophobicContact CD1-CB 4.47Å; L717-I740 HydrophobicContact CD1-CG1 3.75Å; L717-I740 HydrophobicContact CD2-CD1 4.4Å; L717-I740 HydrophobicContact CD2-CG1 3.79Å; L717-I740 HydrophobicContact CG-CG1 4.4Å; L717-M743 HydrophobicContact CD1-CB 4.22Å; L717-M743 HydrophobicContact CD1-CE 4.33Å; L717-M743 HydrophobicContact CD1-SD 3.8Å | ||
| 718 | A | 88.8 | Confident | 83.7 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.3 | -43.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V586 L712 N722 | V586-A718 HydrophobicContact CG1-CB 3.95Å; L712-A718 HydrophobicContact CB-CB 4.44Å; L712-A718 PolarHBondContact O-N 2.92Å; L712-A718 VanDerWaalsContact O-N 3.08Å; A718-N722 WeakPolarHBondContact O-CB 3.35Å; A718-N722 PolarHBondContact O-N 3.28Å; A718-N722 VanDerWaalsContact O-N 3.15Å |
| 719 | E | 83.3 | Confident | 83.1 | Confident | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.7 | -36 | 173.4 | -64.1 | -140.7 | 114.5 | 0 | 0 | 112.4 | L717 F721 N722 K723 | L717-E719 VanDerWaalsContact C-N 3.34Å; L717-E719 PolarHBondContact O-N 3.28Å; E719-F721 VanDerWaalsContact C-N 3.25Å; E719-F721 PolarHBondContact O-N 2.91Å; E719-N722 PolarHBondContact O-N 3.2Å; E719-K723 PolarHBondContact O-N 3Å; E719-K723 IonicContact OE1-NZ 3.69Å; E719-K723 PolarHBondContact OE1-NZ 3.22Å |
| 720 | A | 83.9 | Confident | 82.5 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -28.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L717 I725 Y736 R897 | L717-A720 HydrophobicContact CD2-CB 4.1Å; L717-A720 WeakPolarHBondContact O-CA 3.49Å; L717-A720 VanDerWaalsContact O-CB 3.32Å; L717-A720 WeakPolarHBondContact O-CB 3.35Å; L717-A720 PolarHBondContact O-N 3.34Å; A720-I725 HydrophobicContact CB-CD1 3.58Å; A720-I725 HydrophobicContact CB-CG1 4.48Å; A720-Y736 HydrophobicContact CB-CD1 4.29Å; A720-Y736 HydrophobicContact CB-CE1 4.34Å; A720-R897 PolarHBondContact O-NH2 3.39Å |
| 721 | F | 86.2 | Confident | 82.1 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -85.5 | -47.1 | 169.8 | -80.1 | -95.5 | 0 | 0 | 0 | 112.4 | L712 L717 E719 K723 I740 M743 Y889 I890 T893 V894 | L712-F721 HydrophobicContact CD2-CD2 3.74Å; L712-F721 HydrophobicContact CD2-CE2 3.98Å; L712-F721 HydrophobicContact CD2-CG 4.41Å; L717-F721 HydrophobicContact CB-CD2 4.31Å; L717-F721 HydrophobicContact CB-CE2 4.4Å; L717-F721 PolarHBondContact O-N 3.41Å; E719-F721 VanDerWaalsContact C-N 3.25Å; E719-F721 PolarHBondContact O-N 2.91Å; F721-K723 PolarHBondContact O-N 3.06Å; F721-I740 HydrophobicContact CE2-CD1 4.31Å; F721-I740 HydrophobicContact CE2-CG1 4.09Å; F721-I740 HydrophobicContact CZ-CG1 4.43Å; F721-I740 HydrophobicContact CZ-CG2 4.34Å; F721-M743 HydrophobicContact CE2-CE 4.29Å; F721-M743 HydrophobicContact CZ-CE 4.4Å; F721-Y889 VanDerWaalsContact C-OH 3.24Å; F721-Y889 HydrophobicContact CB-CE1 4.03Å; F721-Y889 PolarHBondContact O-OH 3.22Å; F721-I890 HydrophobicContact CD1-CG1 4.44Å; F721-I890 HydrophobicContact CE1-CB 4.22Å; F721-I890 HydrophobicContact CE1-CG1 4.22Å; F721-I890 HydrophobicContact CE1-CG2 3.97Å; F721-I890 HydrophobicContact CZ-CG2 4.07Å; F721-T893 HydrophobicContact CD1-CG2 3.61Å; F721-T893 HydrophobicContact CE1-CG2 3.95Å; F721-V894 HydrophobicContact CE1-CG2 4.27Å; F721-V894 HydrophobicContact CZ-CG2 4.36Å |
| 722 | N | 76.4 | Confident | 81.7 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.2 | -21.9 | -172.2 | -80.6 | -14.7 | 0 | 0 | 0 | 115.5 | Q587 S588 A718 E719 | Q587-N722 PolarHBondContact O-ND2 3.49Å; S588-N722 WeakPolarHBondContact CB-OD1 3.41Å; S588-N722 PolarHBondContact OG-OD1 3.47Å; A718-N722 WeakPolarHBondContact O-CB 3.35Å; A718-N722 PolarHBondContact O-N 3.28Å; A718-N722 VanDerWaalsContact O-N 3.15Å; E719-N722 PolarHBondContact O-N 3.2Å |
| 723 | K | 65.8 | Low | 81.3 | Confident | 125 Ų | 125 | 62.5 Ų | 62.5 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -127.5 | 146.3 | -177.7 | -65.1 | 171.9 | -178.2 | 167 | 0 | 111.1 | E719 F721 I725 | E719-K723 PolarHBondContact O-N 3Å; E719-K723 IonicContact OE1-NZ 3.69Å; E719-K723 PolarHBondContact OE1-NZ 3.22Å; F721-K723 PolarHBondContact O-N 3.06Å; K723-I725 PolarHBondContact O-N 3.41Å; K723-I725 VanDerWaalsContact O-N 3.08Å |
| 724 | T | 62.3 | Low | 81.3 | Confident | 139 Ų | 139 | 66.4 Ų | 66.4 | 85% | 0.853 | 34% | 0.343 | S | S | * | . | trans | -65.2 | 108.8 | 167.6 | -45.7 | 0 | 0 | 0 | 0 | 109.4 | S726 | T724-S726 PolarHBondContact O-N 3.11Š| ||
| 725 | I | 62.3 | Low | 81.2 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | trans | -72.6 | 90.8 | -178.1 | -45.7 | 175.1 | 0 | 0 | 0 | 109.8 | A720 K723 T727 Y736 L905 | A720-I725 HydrophobicContact CB-CD1 3.58Å; A720-I725 HydrophobicContact CB-CG1 4.48Å; K723-I725 PolarHBondContact O-N 3.41Å; K723-I725 VanDerWaalsContact O-N 3.08Å; I725-T727 HydrophobicContact CG2-CG2 3.79Å; I725-T727 PolarHBondContact O-N 3.31Å; I725-Y736 HydrophobicContact CD1-CD2 4.17Å; I725-Y736 HydrophobicContact CD1-CE2 4.29Å; I725-Y736 HydrophobicContact CG2-CE2 4.46Å; I725-L905 HydrophobicContact CB-CD1 4.25Å; I725-L905 HydrophobicContact CD1-CD2 4.25Å | ||
| 726 | S | 58.1 | Low | 81 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 84% | 0.839 | 37% | 0.365 | S | S | * | . | trans | -82.1 | 52.3 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | T724 | T724-S726 PolarHBondContact O-N 3.11Š| ||
| 727 | T | 68 | Low | 81 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | trans | -93.3 | 147.5 | 170.2 | -166.4 | 0 | 0 | 0 | 0 | 111.3 | I725 D729 L732 I733 | I725-T727 HydrophobicContact CG2-CG2 3.79Å; I725-T727 PolarHBondContact O-N 3.31Å; T727-D729 PolarHBondContact OG1-N 2.97Å; T727-L732 HydrophobicContact CG2-CD2 4.4Å; T727-I733 HydrophobicContact CG2-CD1 4.04Å; T727-I733 HydrophobicContact CG2-CG1 3.74Å | ||
| 728 | K | 72.9 | Confident | 81.2 | Confident | 198 Ų | 198 | 71.5 Ų | 71.5 | 86% | 0.861 | 37% | 0.367 | S | S | * | . | trans | -101.7 | -1.5 | 170 | -65.9 | -172.6 | 177.9 | -176.1 | 0 | 112.7 | Q730 | K728-Q730 PolarHBondContact O-N 3.42Š| ||
| 729 | D | 84.1 | Confident | 81.6 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | -74.9 | 109.9 | 178.8 | -174.4 | -21.9 | 0 | 0 | 0 | 110.2 | T727 D731 L732 I733 | T727-D729 PolarHBondContact OG1-N 2.97Å; D729-D731 PolarHBondContact OD1-N 3Å; D729-L732 HydrophobicContact CB-CB 3.86Å; D729-L732 PolarHBondContact OD1-N 3.02Å; D729-I733 WeakPolarHBondContact O-CD1 3.22Å; D729-I733 VanDerWaalsContact O-CG1 3.28Å; D729-I733 WeakPolarHBondContact O-CG1 3.44Å; D729-I733 PolarHBondContact O-N 3.4Å; D729-I733 VanDerWaalsContact O-N 3.09Å | ||
| 730 | Q | 84.7 | Confident | 82.2 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.4 | -32.1 | -178.4 | -67.8 | -67.3 | -30.2 | 0 | 0 | 112.6 | K728 I733 K734 | K728-Q730 PolarHBondContact O-N 3.42Å; Q730-I733 PolarHBondContact O-N 3.33Å; Q730-K734 WeakPolarHBondContact O-CB 3.45Å; Q730-K734 PolarHBondContact O-N 2.98Å |
| 731 | D | 85.5 | Confident | 82.9 | Confident | 113 Ų | 113 | 67.2 Ų | 67.2 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.7 | -38.4 | 178.1 | -75 | -33.3 | 0 | 0 | 0 | 110.3 | D729 K734 Q735 | D729-D731 PolarHBondContact OD1-N 3Å; D731-K734 PolarHBondContact O-N 2.91Å; D731-Q735 VanDerWaalsContact O-CG 3.32Å; D731-Q735 WeakPolarHBondContact O-CG 3.36Å; D731-Q735 PolarHBondContact O-N 2.75Å |
| 732 | L | 87.2 | Confident | 83.4 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 173.5 | -174.9 | 63.6 | 0 | 0 | 0 | 112.1 | T727 D729 Q735 Y736 | T727-L732 HydrophobicContact CG2-CD2 4.4Å; D729-L732 HydrophobicContact CB-CB 3.86Å; D729-L732 PolarHBondContact OD1-N 3.02Å; L732-Q735 PolarHBondContact O-N 2.88Å; L732-Y736 HydrophobicContact CD1-CD2 4.29Å; L732-Y736 HydrophobicContact CD1-CE2 3.79Å; L732-Y736 HydrophobicContact CD2-CE2 3.91Å; L732-Y736 HydrophobicContact CG-CD2 3.95Å; L732-Y736 HydrophobicContact CG-CE2 3.53Å; L732-Y736 VanDerWaalsContact O-CD2 3.26Å; L732-Y736 WeakPolarHBondContact O-CD2 3.29Å; L732-Y736 PolarHBondContact O-N 2.61Å |
| 733 | I | 88.1 | Confident | 84.4 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 172.8 | -72.2 | 164.3 | 0 | 0 | 0 | 110.5 | T727 D729 Q730 Q735 Y736 N737 N904 L905 | T727-I733 HydrophobicContact CG2-CD1 4.04Å; T727-I733 HydrophobicContact CG2-CG1 3.74Å; D729-I733 WeakPolarHBondContact O-CD1 3.22Å; D729-I733 VanDerWaalsContact O-CG1 3.28Å; D729-I733 WeakPolarHBondContact O-CG1 3.44Å; D729-I733 PolarHBondContact O-N 3.4Å; D729-I733 VanDerWaalsContact O-N 3.09Å; Q730-I733 PolarHBondContact O-N 3.33Å; I733-Q735 VanDerWaalsContact C-N 3.34Å; I733-Q735 PolarHBondContact O-N 3.13Å; I733-Y736 PolarHBondContact O-N 2.82Å; I733-N737 WeakPolarHBondContact O-CB 3.36Å; I733-N737 VanDerWaalsContact O-CG 3.23Å; I733-N737 PolarHBondContact O-N 3.36Å; I733-N737 PolarHBondContact O-OD1 3.09Å; I733-N904 HydrophobicContact CG2-CB 4.13Å; I733-N904 VanDerWaalsContact CG2-O 3.29Å; I733-N904 WeakPolarHBondContact CG2-O 3.24Å; I733-L905 HydrophobicContact CG1-CD2 4.17Å; I733-L905 HydrophobicContact CG2-CD2 4.29Å |
| 734 | K | 91.6 | Very high | 86 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 45% | 0.452 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 175.8 | -171.7 | -167.9 | 177.1 | -165.9 | 0 | 111.5 | E662 Q730 D731 N737 T738 | E662-K734 IonicContact OE2-NZ 2.57Å; E662-K734 PolarHBondContact OE2-NZ 3.11Å; Q730-K734 WeakPolarHBondContact O-CB 3.45Å; Q730-K734 PolarHBondContact O-N 2.98Å; D731-K734 PolarHBondContact O-N 2.91Å; K734-N737 PolarHBondContact O-N 3.37Å; K734-T738 PolarHBondContact O-N 3.41Å; K734-T738 PolarHBondContact O-OG1 2.9Å; K734-T738 VanDerWaalsContact O-OG1 3.07Å |
| 735 | Q | 93.1 | Very high | 87.6 | Confident | 50 Ų | 50 | 53 Ų | 53 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -50.8 | 176.5 | -75.2 | 166.9 | 31.6 | 0 | 0 | 111.9 | A661 M663 D731 L732 I733 N737 T738 L739 | A661-Q735 WeakPolarHBondContact O-CG 3.4Å; M663-Q735 HydrophobicContact CG-CG 4.05Å; D731-Q735 VanDerWaalsContact O-CG 3.32Å; D731-Q735 WeakPolarHBondContact O-CG 3.36Å; D731-Q735 PolarHBondContact O-N 2.75Å; L732-Q735 PolarHBondContact O-N 2.88Å; I733-Q735 VanDerWaalsContact C-N 3.34Å; I733-Q735 PolarHBondContact O-N 3.13Å; Q735-N737 VanDerWaalsContact C-N 3.29Å; Q735-N737 PolarHBondContact O-N 2.68Å; Q735-T738 PolarHBondContact O-N 3.05Å; Q735-L739 VanDerWaalsContact O-CG 3.32Å; Q735-L739 WeakPolarHBondContact O-CG 3.3Å; Q735-L739 PolarHBondContact O-N 2.92Å |
| 736 | Y | 92.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 176 | -75.5 | -49.6 | 0 | 0 | 0 | 112.2 | L717 A720 I725 L732 I733 L739 I740 | L717-Y736 HydrophobicContact CD2-CD1 3.84Å; A720-Y736 HydrophobicContact CB-CD1 4.29Å; A720-Y736 HydrophobicContact CB-CE1 4.34Å; I725-Y736 HydrophobicContact CD1-CD2 4.17Å; I725-Y736 HydrophobicContact CD1-CE2 4.29Å; I725-Y736 HydrophobicContact CG2-CE2 4.46Å; L732-Y736 HydrophobicContact CD1-CD2 4.29Å; L732-Y736 HydrophobicContact CD1-CE2 3.79Å; L732-Y736 HydrophobicContact CD2-CE2 3.91Å; L732-Y736 HydrophobicContact CG-CD2 3.95Å; L732-Y736 HydrophobicContact CG-CE2 3.53Å; L732-Y736 VanDerWaalsContact O-CD2 3.26Å; L732-Y736 WeakPolarHBondContact O-CD2 3.29Å; L732-Y736 PolarHBondContact O-N 2.61Å; I733-Y736 PolarHBondContact O-N 2.82Å; Y736-L739 PolarHBondContact O-N 3.11Å; Y736-I740 VanDerWaalsContact O-CG1 3.25Å; Y736-I740 WeakPolarHBondContact O-CG1 3.47Å; Y736-I740 PolarHBondContact O-N 3.15Å |
| 737 | N | 94.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 179.3 | -73.4 | -6.2 | 0 | 0 | 0 | 111.1 | I733 K734 Q735 L739 I740 E741 N904 T907 M910 | I733-N737 WeakPolarHBondContact O-CB 3.36Å; I733-N737 VanDerWaalsContact O-CG 3.23Å; I733-N737 PolarHBondContact O-N 3.36Å; I733-N737 PolarHBondContact O-OD1 3.09Å; K734-N737 PolarHBondContact O-N 3.37Å; Q735-N737 VanDerWaalsContact C-N 3.29Å; Q735-N737 PolarHBondContact O-N 2.68Å; N737-L739 PolarHBondContact O-N 3Å; N737-I740 PolarHBondContact O-N 3.06Å; N737-E741 PolarHBondContact O-N 3.07Å; N737-E741 VanDerWaalsContact O-N 3.11Å; N737-N904 PolarHBondContact ND2-O 3.08Å; N737-T907 HydrophobicContact CB-CG2 4.03Å; N737-M910 HydrophobicContact CB-CE 3.44Å; N737-M910 VanDerWaalsContact CB-CE 3.44Å; N737-M910 WeakPolarHBondContact O-CE 3.35Å; N737-M910 WeakPolarHBondContact OD1-CE 3.14Å |
| 738 | T | 96.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 16% | 0.16 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | V660 A661 K734 Q735 I740 E741 E742 | V660-T738 HydrophobicContact CG1-CG2 3.75Å; A661-T738 HydrophobicContact CB-CG2 3.92Å; K734-T738 PolarHBondContact O-N 3.41Å; K734-T738 PolarHBondContact O-OG1 2.9Å; K734-T738 VanDerWaalsContact O-OG1 3.07Å; Q735-T738 PolarHBondContact O-N 3.05Å; T738-I740 VanDerWaalsContact C-N 3.34Å; T738-I740 PolarHBondContact O-N 3.46Å; T738-E741 PolarHBondContact O-N 2.97Å; T738-E742 HydrophobicContact CG2-CG 4.44Å; T738-E742 WeakPolarHBondContact O-CG 3.47Å; T738-E742 PolarHBondContact O-N 3.13Å |
| 739 | L | 97.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | 177.2 | -69.6 | 174.1 | 0 | 0 | 0 | 113.2 | A657 Q658 A661 M663 L717 Q735 Y736 N737 M743 | A657-L739 HydrophobicContact CB-CD2 4.1Å; Q658-L739 HydrophobicContact CG-CD2 3.84Å; A661-L739 HydrophobicContact CB-CD2 4.01Å; A661-L739 HydrophobicContact CB-CG 4.04Å; M663-L739 HydrophobicContact SD-CD1 3.99Å; M663-L739 HydrophobicContact SD-CD2 4.47Å; L717-L739 HydrophobicContact CD1-CB 4.3Å; L717-L739 HydrophobicContact CD2-CB 4.23Å; L717-L739 HydrophobicContact CG-CB 4.5Å; Q735-L739 VanDerWaalsContact O-CG 3.32Å; Q735-L739 WeakPolarHBondContact O-CG 3.3Å; Q735-L739 PolarHBondContact O-N 2.92Å; Y736-L739 PolarHBondContact O-N 3.11Å; N737-L739 PolarHBondContact O-N 3Å; L739-M743 VanDerWaalsContact O-CB 3.27Å; L739-M743 WeakPolarHBondContact O-CB 3.22Å; L739-M743 PolarHBondContact O-N 2.58Å |
| 740 | I | 96.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.1 | -42.1 | 174.8 | -67.3 | 163.1 | 0 | 0 | 0 | 110.5 | L717 F721 Y736 N737 T738 M743 L744 M910 | L717-I740 HydrophobicContact CD1-CB 4.47Å; L717-I740 HydrophobicContact CD1-CG1 3.75Å; L717-I740 HydrophobicContact CD2-CD1 4.4Å; L717-I740 HydrophobicContact CD2-CG1 3.79Å; L717-I740 HydrophobicContact CG-CG1 4.4Å; F721-I740 HydrophobicContact CE2-CD1 4.31Å; F721-I740 HydrophobicContact CE2-CG1 4.09Å; F721-I740 HydrophobicContact CZ-CG1 4.43Å; F721-I740 HydrophobicContact CZ-CG2 4.34Å; Y736-I740 VanDerWaalsContact O-CG1 3.25Å; Y736-I740 WeakPolarHBondContact O-CG1 3.47Å; Y736-I740 PolarHBondContact O-N 3.15Å; N737-I740 PolarHBondContact O-N 3.06Å; T738-I740 VanDerWaalsContact C-N 3.34Å; T738-I740 PolarHBondContact O-N 3.46Å; I740-M743 PolarHBondContact O-N 2.78Å; I740-L744 HydrophobicContact CG2-CD1 3.88Å; I740-L744 HydrophobicContact CG2-CG 4.31Å; I740-L744 WeakPolarHBondContact O-CB 3.49Å; I740-L744 VanDerWaalsContact O-CG 3.24Å; I740-L744 WeakPolarHBondContact O-CG 3.04Å; I740-L744 PolarHBondContact O-N 3.24Å; I740-M910 HydrophobicContact CB-CE 4.07Å; I740-M910 HydrophobicContact CB-SD 4.2Å; I740-M910 HydrophobicContact CD1-CE 4.34Å; I740-M910 HydrophobicContact CG2-CE 4.25Å; I740-M910 HydrophobicContact CG2-CG 3.95Å; I740-M910 HydrophobicContact CG2-SD 3.7Å |
| 741 | E | 97.2 | Very high | 95.1 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 19% | 0.192 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.7 | -54.5 | 174.1 | -70.3 | 176.8 | -144.8 | 0 | 0 | 111.2 | N737 T738 M743 L744 Q745 T907 M910 M913 | N737-E741 PolarHBondContact O-N 3.07Å; N737-E741 VanDerWaalsContact O-N 3.11Å; T738-E741 PolarHBondContact O-N 2.97Å; E741-M743 VanDerWaalsContact C-N 3.27Å; E741-M743 PolarHBondContact O-N 2.9Å; E741-L744 PolarHBondContact O-N 3.4Å; E741-L744 VanDerWaalsContact O-N 3.17Å; E741-Q745 WeakPolarHBondContact O-CB 3.16Å; E741-Q745 PolarHBondContact O-N 3.46Å; E741-T907 WeakPolarHBondContact OE1-CB 3.43Å; E741-T907 WeakPolarHBondContact OE1-CG2 3.43Å; E741-T907 PolarHBondContact OE1-OG1 2.98Å; E741-M910 HydrophobicContact CG-CB 4.49Å; E741-M910 HydrophobicContact CG-CG 3.6Å; E741-M913 HydrophobicContact CB-CE 4.29Å; E741-M913 HydrophobicContact CB-SD 4.15Å |
| 742 | E | 97.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 9% | 0.089 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -34.4 | -179.5 | -60.8 | -68.2 | 127.1 | 0 | 0 | 112.5 | A657 V660 Y715 T738 V746 K840 | A657-E742 HydrophobicContact CB-CB 3.5Å; A657-E742 HydrophobicContact CB-CG 3.88Å; V660-E742 HydrophobicContact CG1-CG 4.1Å; V660-E742 WeakPolarHBondContact CG1-OE1 3.41Å; Y715-E742 HydrophobicContact CE1-CB 4.34Å; T738-E742 HydrophobicContact CG2-CG 4.44Å; T738-E742 WeakPolarHBondContact O-CG 3.47Å; T738-E742 PolarHBondContact O-N 3.13Å; E742-V746 WeakPolarHBondContact O-CG2 3.14Å; E742-V746 PolarHBondContact O-N 3.17Å; E742-K840 IonicContact OE1-NZ 3.33Å; E742-K840 PolarHBondContact OE1-NZ 3.37Å |
| 743 | M | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.8 | -49.7 | 173.6 | -174.3 | -165.7 | 68.4 | 0 | 0 | 111.6 | V711 L712 Y715 L717 F721 L739 I740 E741 Q745 V746 L747 I890 | V711-M743 HydrophobicContact CG1-CG 3.77Å; V711-M743 HydrophobicContact CG1-SD 4.18Å; L712-M743 HydrophobicContact CD2-CE 4.1Å; L712-M743 HydrophobicContact CD2-SD 3.73Å; L712-M743 HydrophobicContact CG-SD 4.36Å; Y715-M743 HydrophobicContact CD1-CB 3.75Å; Y715-M743 HydrophobicContact CD1-CG 4.31Å; Y715-M743 HydrophobicContact CD2-CB 4.33Å; Y715-M743 HydrophobicContact CD2-CG 4.03Å; Y715-M743 HydrophobicContact CE1-CB 3.72Å; Y715-M743 HydrophobicContact CE1-CG 4.42Å; Y715-M743 HydrophobicContact CE2-CB 4.32Å; Y715-M743 HydrophobicContact CE2-CG 4.17Å; Y715-M743 HydrophobicContact CG-CB 4.06Å; Y715-M743 HydrophobicContact CG-CG 4.11Å; L717-M743 HydrophobicContact CD1-CB 4.22Å; L717-M743 HydrophobicContact CD1-CE 4.33Å; L717-M743 HydrophobicContact CD1-SD 3.8Å; F721-M743 HydrophobicContact CE2-CE 4.29Å; F721-M743 HydrophobicContact CZ-CE 4.4Å; L739-M743 VanDerWaalsContact O-CB 3.27Å; L739-M743 WeakPolarHBondContact O-CB 3.22Å; L739-M743 PolarHBondContact O-N 2.58Å; I740-M743 PolarHBondContact O-N 2.78Å; E741-M743 VanDerWaalsContact C-N 3.27Å; E741-M743 PolarHBondContact O-N 2.9Å; M743-Q745 PolarHBondContact O-N 2.97Å; M743-V746 PolarHBondContact O-N 2.96Å; M743-L747 WeakPolarHBondContact O-CG 3.29Å; M743-L747 PolarHBondContact O-N 2.84Å; M743-I890 HydrophobicContact CE-CD1 4.49Å; M743-I890 HydrophobicContact CE-CG2 4.4Å |
| 744 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 178.3 | -69.9 | 170.6 | 0 | 0 | 0 | 111.1 | I740 E741 L747 I748 I890 M910 M913 I917 | I740-L744 HydrophobicContact CG2-CD1 3.88Å; I740-L744 HydrophobicContact CG2-CG 4.31Å; I740-L744 WeakPolarHBondContact O-CB 3.49Å; I740-L744 VanDerWaalsContact O-CG 3.24Å; I740-L744 WeakPolarHBondContact O-CG 3.04Å; I740-L744 PolarHBondContact O-N 3.24Å; E741-L744 PolarHBondContact O-N 3.4Å; E741-L744 VanDerWaalsContact O-N 3.17Å; L744-L747 PolarHBondContact O-N 2.78Å; L744-I748 WeakPolarHBondContact O-CG1 3.32Å; L744-I748 PolarHBondContact O-N 2.93Å; L744-I890 HydrophobicContact CD2-CG2 3.93Å; L744-M910 HydrophobicContact CD1-CB 4.2Å; L744-M910 HydrophobicContact CD1-CG 4.45Å; L744-M913 HydrophobicContact CB-CB 3.94Å; L744-M913 HydrophobicContact CB-SD 4.04Å; L744-M913 HydrophobicContact CD1-CB 4.36Å; L744-I917 HydrophobicContact CB-CD1 4.45Å; L744-I917 HydrophobicContact CD2-CD1 3.87Å |
| 745 | Q | 97.5 | Very high | 96.4 | Very high | 26 Ų | 26 | 15 Ų | 15 | 12% | 0.121 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.3 | -171 | 166.9 | 24.7 | 0 | 0 | 112.2 | E741 M743 L747 I748 Y749 M913 | E741-Q745 WeakPolarHBondContact O-CB 3.16Å; E741-Q745 PolarHBondContact O-N 3.46Å; M743-Q745 PolarHBondContact O-N 2.97Å; Q745-L747 VanDerWaalsContact C-N 3.31Å; Q745-L747 PolarHBondContact O-N 3.26Å; Q745-I748 WeakPolarHBondContact O-CB 3.35Å; Q745-I748 PolarHBondContact O-N 2.82Å; Q745-Y749 HydrophobicContact CG-CD2 4.41Å; Q745-Y749 HydrophobicContact CG-CE1 3.98Å; Q745-Y749 HydrophobicContact CG-CE2 3.62Å; Q745-Y749 WeakPolarHBondContact CG-OH 3.3Å; Q745-Y749 PolarHBondContact NE2-OH 3.02Å; Q745-Y749 WeakPolarHBondContact O-CD1 3.38Å; Q745-Y749 VanDerWaalsContact O-CG 3.27Å; Q745-Y749 PolarHBondContact O-N 3.2Å; Q745-M913 HydrophobicContact CB-CE 3.89Å; Q745-M913 HydrophobicContact CB-SD 4.04Å; Q745-M913 HydrophobicContact CG-CE 4.27Å |
| 746 | V | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 14 Ų | 14 | 6% | 0.061 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -36.3 | 173.8 | 167.6 | 0 | 0 | 0 | 0 | 112 | L653 L695 Y715 E742 M743 Y749 I750 | L653-V746 HydrophobicContact CD1-CG1 4.45Å; L695-V746 HydrophobicContact CD1-CG1 4.13Å; Y715-V746 WeakPolarHBondContact OH-CG2 3.39Å; E742-V746 WeakPolarHBondContact O-CG2 3.14Å; E742-V746 PolarHBondContact O-N 3.17Å; M743-V746 PolarHBondContact O-N 2.96Å; V746-Y749 PolarHBondContact O-N 3.3Å; V746-I750 HydrophobicContact CG1-CD1 3.79Å; V746-I750 HydrophobicContact CG1-CG1 4.33Å; V746-I750 VanDerWaalsContact O-CG1 3.3Å; V746-I750 WeakPolarHBondContact O-CG1 3.43Å; V746-I750 PolarHBondContact O-N 3.2Å |
| 747 | L | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 174.1 | -64.8 | 177.8 | 0 | 0 | 0 | 112.7 | L708 M743 L744 Q745 Y749 I750 V751 M887 I917 | L708-L747 HydrophobicContact CD2-CD1 4.19Å; L708-L747 HydrophobicContact CD2-CD2 3.41Å; L708-L747 VanDerWaalsContact CD2-CD2 3.41Å; L708-L747 HydrophobicContact CD2-CG 4.47Å; M743-L747 WeakPolarHBondContact O-CG 3.29Å; M743-L747 PolarHBondContact O-N 2.84Å; L744-L747 PolarHBondContact O-N 2.78Å; Q745-L747 VanDerWaalsContact C-N 3.31Å; Q745-L747 PolarHBondContact O-N 3.26Å; L747-Y749 VanDerWaalsContact C-N 3.35Å; L747-I750 HydrophobicContact CD2-CD1 4.44Å; L747-V751 PolarHBondContact O-N 3.08Å; L747-M887 HydrophobicContact CD1-CE 4.12Å; L747-I917 HydrophobicContact CB-CD1 4.43Å |
| 748 | I | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 171 | -68.9 | 166.4 | 0 | 0 | 0 | 110.1 | L744 Q745 V751 G752 Y834 M913 H916 I917 L920 | L744-I748 WeakPolarHBondContact O-CG1 3.32Å; L744-I748 PolarHBondContact O-N 2.93Å; Q745-I748 WeakPolarHBondContact O-CB 3.35Å; Q745-I748 PolarHBondContact O-N 2.82Å; I748-V751 PolarHBondContact O-N 3.25Å; I748-G752 WeakPolarHBondContact O-CA 3.23Å; I748-G752 PolarHBondContact O-N 3.16Å; I748-Y834 HydrophobicContact CD1-CD2 3.78Å; I748-Y834 HydrophobicContact CD1-CE2 4.01Å; I748-Y834 HydrophobicContact CD1-CG 4.13Å; I748-Y834 HydrophobicContact CG2-CD2 4.47Å; I748-Y834 HydrophobicContact CG2-CG 4.42Å; I748-M913 HydrophobicContact CD1-CB 3.82Å; I748-M913 HydrophobicContact CD1-CG 4.02Å; I748-H916 HydrophobicContact CD1-CB 4.17Å; I748-I917 HydrophobicContact CD1-CG1 4.22Å; I748-I917 HydrophobicContact CG1-CD1 4.09Å; I748-I917 HydrophobicContact CG1-CG1 3.54Å; I748-L920 HydrophobicContact CG2-CD1 4.48Å |
| 749 | Y | 97.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 2% | 0.024 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66 | -46 | -178.7 | -59.1 | -20.9 | 0 | 0 | 0 | 112.7 | Y688 I692 Q745 V746 L747 V751 E753 Y834 | Y688-Y749 WeakPolarHBondContact OH-CD2 3.38Å; Y688-Y749 WeakPolarHBondContact OH-CE2 3.23Å; I692-Y749 HydrophobicContact CD1-CD2 4.41Å; Q745-Y749 HydrophobicContact CG-CD2 4.41Å; Q745-Y749 HydrophobicContact CG-CE1 3.98Å; Q745-Y749 HydrophobicContact CG-CE2 3.62Å; Q745-Y749 WeakPolarHBondContact CG-OH 3.3Å; Q745-Y749 PolarHBondContact NE2-OH 3.02Å; Q745-Y749 WeakPolarHBondContact O-CD1 3.38Å; Q745-Y749 VanDerWaalsContact O-CG 3.27Å; Q745-Y749 PolarHBondContact O-N 3.2Å; V746-Y749 PolarHBondContact O-N 3.3Å; L747-Y749 VanDerWaalsContact C-N 3.35Å; Y749-V751 PolarHBondContact O-N 3.42Å; Y749-E753 HydrophobicContact CD1-CG 4.37Å; Y749-E753 WeakPolarHBondContact O-CB 3.48Å; Y749-E753 PolarHBondContact O-N 2.97Å; Y749-Y834 WeakPolarHBondContact CE1-O 3.37Å |
| 750 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -54.9 | -41.9 | 177.6 | -69.5 | 163.7 | 0 | 0 | 0 | 111.1 | L695 Q696 A699 F707 V746 L747 V878 L881 | L695-I750 HydrophobicContact CB-CD1 3.85Å; L695-I750 HydrophobicContact CB-CG1 3.97Å; L695-I750 HydrophobicContact CD1-CD1 3.89Å; Q696-I750 HydrophobicContact CG-CB 4.45Å; Q696-I750 HydrophobicContact CG-CG2 4.04Å; Q696-I750 WeakPolarHBondContact CG-O 3.31Å; Q696-I750 PolarHBondContact NE2-O 3.22Å; A699-I750 HydrophobicContact CB-CG2 4.09Å; F707-I750 HydrophobicContact CE1-CD1 4.15Å; F707-I750 HydrophobicContact CZ-CD1 4.16Å; V746-I750 HydrophobicContact CG1-CD1 3.79Å; V746-I750 HydrophobicContact CG1-CG1 4.33Å; V746-I750 VanDerWaalsContact O-CG1 3.3Å; V746-I750 WeakPolarHBondContact O-CG1 3.43Å; V746-I750 PolarHBondContact O-N 3.2Å; L747-I750 HydrophobicContact CD2-CD1 4.44Å; I750-V878 HydrophobicContact CG2-CG1 3.92Å; I750-V878 WeakPolarHBondContact O-CG1 3.39Å; I750-L881 HydrophobicContact CG2-CD1 3.72Å |
| 751 | V | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -92.2 | -32 | -174.5 | -176.7 | 0 | 0 | 0 | 0 | 113.8 | L747 I748 Y749 R754 V878 L881 L882 | L747-V751 PolarHBondContact O-N 3.08Å; I748-V751 PolarHBondContact O-N 3.25Å; Y749-V751 PolarHBondContact O-N 3.42Å; V751-R754 PolarHBondContact O-NE 2.86Å; V751-R754 PolarHBondContact O-NH2 2.73Å; V751-V878 HydrophobicContact CG2-CG1 4.26Å; V751-L881 HydrophobicContact CG2-CB 4.23Å; V751-L881 HydrophobicContact CG2-CD1 4.22Å; V751-L882 HydrophobicContact CB-CD2 4.42Å; V751-L882 HydrophobicContact CG1-CD1 3.68Å; V751-L882 HydrophobicContact CG1-CD2 3.99Å; V751-L882 HydrophobicContact CG1-CG 3.77Å; V751-L882 HydrophobicContact CG2-CD2 4.27Å; V751-L882 HydrophobicContact CG2-CG 4.42Å |
| 752 | G | 94.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 7% | 0.072 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -95.8 | -32.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | I748 R754 | I748-G752 WeakPolarHBondContact O-CA 3.23Å; I748-G752 PolarHBondContact O-N 3.16Å; G752-R754 PolarHBondContact O-N 3.31Å; G752-R754 VanDerWaalsContact O-N 3.09Å |
| 753 | E | 94.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 3% | 0.033 | 10% | 0.1 | C | C | . | . | trans | -87.2 | 88.9 | -176.5 | -64.1 | -61.5 | 159.3 | 0 | 0 | 111 | Q696 Y749 R770 N832 Y836 | Q696-E753 PolarHBondContact NE2-O 3.41Å; Y749-E753 HydrophobicContact CD1-CG 4.37Å; Y749-E753 WeakPolarHBondContact O-CB 3.48Å; Y749-E753 PolarHBondContact O-N 2.97Å; E753-R770 IonicContact OE1-CZ 2.72Å; E753-R770 IonicContact OE1-NH2 3.77Å; E753-R770 PolarHBondContact OE1-NH2 3.01Å; E753-R770 IonicContact OE2-CZ 2.68Å; E753-R770 VanDerWaalsContact OE2-CZ 3.3Å; E753-R770 IonicContact OE2-NE 3.38Å; E753-R770 PolarHBondContact OE2-NE 3.06Å; E753-R770 IonicContact OE2-NH2 2.69Å; E753-R770 PolarHBondContact OE2-NH2 3.44Å; E753-N832 PolarHBondContact OE1-ND2 2.77Å; E753-Y836 HydrophobicContact CB-CD1 4.11Å; E753-Y836 HydrophobicContact CB-CE1 4.24Å; E753-Y836 HydrophobicContact CB-CG 4.48Å; E753-Y836 HydrophobicContact CG-CD1 3.44Å; E753-Y836 VanDerWaalsContact CG-CD1 3.44Å; E753-Y836 HydrophobicContact CG-CE1 4.04Å; E753-Y836 HydrophobicContact CG-CG 3.81Å | ||
| 754 | R | 95.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | trans | -104.8 | 4.8 | -178.2 | -52 | 178.8 | -169 | -178.6 | -2.6 | 112.6 | V751 G752 V756 G760 P869 F871 E924 | V751-R754 PolarHBondContact O-NE 2.86Å; V751-R754 PolarHBondContact O-NH2 2.73Å; G752-R754 PolarHBondContact O-N 3.31Å; G752-R754 VanDerWaalsContact O-N 3.09Å; R754-V756 PolarHBondContact O-N 3.08Å; R754-G760 VanDerWaalsContact O-CA 3.25Å; R754-G760 WeakPolarHBondContact O-CA 3.4Å; R754-G760 PolarHBondContact O-N 3.43Å; R754-P869 HydrophobicContact CB-CB 4.33Å; R754-P869 HydrophobicContact CB-CG 4.45Å; R754-P869 WeakPolarHBondContact CD-O 3.21Å; R754-P869 PolarHBondContact NH1-O 3.23Å; R754-F871 HydrophobicContact CG-CD1 4.07Å; R754-F871 HydrophobicContact CG-CE1 3.67Å; R754-F871 HydrophobicContact CG-CE2 4.24Å; R754-F871 HydrophobicContact CG-CZ 3.75Å; R754-E924 IonicContact CZ-OE2 2.86Å; R754-E924 VanDerWaalsContact CZ-OE2 3.32Å; R754-E924 IonicContact NH1-OE2 3.73Å; R754-E924 PolarHBondContact NH1-OE2 3.27Å; R754-E924 IonicContact NH2-OE2 3.85Å; R754-E924 PolarHBondContact NH2-OE2 3.35Å | ||
| 755 | Y | 95.6 | Very high | 96 | Very high | 34 Ų | 34 | 28.2 Ų | 28.2 | 13% | 0.133 | 15% | 0.147 | C | C | . | . | trans | -83.2 | 51.5 | -174.9 | -74.2 | -100 | 0 | 0 | 0 | 112.6 | V762 V767 R770 P869 | Y755-V762 HydrophobicContact CD1-CG1 4.09Å; Y755-V762 HydrophobicContact CE1-CG1 4.41Å; Y755-V767 WeakPolarHBondContact O-CG2 3.45Å; Y755-R770 HydrophobicContact CD1-CB 4.14Å; Y755-R770 HydrophobicContact CD1-CG 4.47Å; Y755-R770 HydrophobicContact CE1-CB 4.4Å; Y755-R770 VanDerWaalsContact CE2-NH1 3.27Å; Y755-R770 HydrophobicContact CG-CG 4.48Å; Y755-P869 HydrophobicContact CD2-CG 4.03Å; Y755-P869 HydrophobicContact CE1-CG 4.07Å; Y755-P869 VanDerWaalsContact CE2-CD 3.46Å; Y755-P869 HydrophobicContact CE2-CG 3.53Å; Y755-P869 HydrophobicContact CG-CG 4.49Å | ||
| 756 | V | 95.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 31 Ų | 31 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -134.9 | 117.7 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | V620 I693 R754 G758 V759 G760 | V620-V756 HydrophobicContact CG1-CG1 4.16Å; I693-V756 HydrophobicContact CD1-CG1 4.07Å; I693-V756 HydrophobicContact CD1-CG2 4.34Å; R754-V756 PolarHBondContact O-N 3.08Å; V756-G758 PolarHBondContact O-N 3.22Å; V756-V759 HydrophobicContact CB-CB 4.07Å; V756-V759 HydrophobicContact CB-CG2 3.91Å; V756-V759 HydrophobicContact CG1-CG2 3.98Å; V756-V759 PolarHBondContact O-N 3.37Å; V756-G760 PolarHBondContact O-N 3.43Å; V756-G760 VanDerWaalsContact O-N 3.1Å |
| 757 | P | 95.6 | Very high | 95.8 | Very high | 31 Ų | 31 | 31.9 Ų | 31.9 | 20% | 0.201 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 112.1 | -177.3 | -26.1 | 34 | 0 | 0 | 0 | 112.3 | V620 V762 K764 V767 | V620-P757 WeakPolarHBondContact CG1-O 3.24Å; P757-V762 HydrophobicContact CG-CG2 4.22Å; P757-K764 HydrophobicContact CG-CG 4.31Å; P757-V767 HydrophobicContact CG-CG2 4.29Å |
| 758 | G | 95.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109.5 | -19.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | S623 V756 G760 C872 F875 | S623-G758 WeakPolarHBondContact CB-O 3.34Å; S623-G758 PolarHBondContact OG-O 3.35Å; V756-G758 PolarHBondContact O-N 3.22Å; G758-G760 PolarHBondContact N-O 2.92Å; G758-C872 WeakPolarHBondContact O-CB 3.45Å; G758-F875 WeakPolarHBondContact O-CD2 3.36Å; G758-F875 VanDerWaalsContact O-CE2 3.32Å; G758-F875 WeakPolarHBondContact O-CE2 3.48Å |
| 759 | V | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -55.2 | 162.5 | 179 | 0 | 0 | 0 | 0 | 109 | V620 I693 V756 F871 C872 F875 | V620-V759 HydrophobicContact CG2-CG2 3.77Å; I693-V759 HydrophobicContact CG1-CG2 4.23Å; I693-V759 HydrophobicContact CG2-CG2 4.36Å; V756-V759 HydrophobicContact CB-CB 4.07Å; V756-V759 HydrophobicContact CB-CG2 3.91Å; V756-V759 HydrophobicContact CG1-CG2 3.98Å; V756-V759 PolarHBondContact O-N 3.37Å; V759-F871 HydrophobicContact CG1-CD1 4.15Å; V759-F871 HydrophobicContact CG1-CE1 4.04Å; V759-C872 PolarHBondContact O-N 2.97Å; V759-F875 HydrophobicContact CB-CD2 4.49Å; V759-F875 HydrophobicContact CG1-CD1 4.1Å; V759-F875 HydrophobicContact CG1-CE1 4.38Å; V759-F875 HydrophobicContact CG1-CG 4.16Å; V759-F875 HydrophobicContact CG2-CE1 4.27Å; V759-F875 HydrophobicContact CG2-CE2 4.19Å; V759-F875 HydrophobicContact CG2-CZ 3.98Å |
| 760 | G | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -113.7 | 163.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R754 V756 G758 V762 E870 C872 | R754-G760 VanDerWaalsContact O-CA 3.25Å; R754-G760 WeakPolarHBondContact O-CA 3.4Å; R754-G760 PolarHBondContact O-N 3.43Å; V756-G760 PolarHBondContact O-N 3.43Å; V756-G760 VanDerWaalsContact O-N 3.1Å; G758-G760 PolarHBondContact N-O 2.92Å; G760-V762 VanDerWaalsContact C-N 3.27Å; G760-V762 PolarHBondContact O-N 3.44Å; G760-E870 CarbonylContact C-O 3.59Å; G760-E870 VanDerWaalsContact CA-O 3.25Å; G760-E870 WeakPolarHBondContact CA-O 3.43Å; G760-C872 PolarHBondContact O-SG 3.45Å; G760-C872 VanDerWaalsContact O-SG 3.39Å |
| 761 | N | 94.6 | Very high | 95.3 | Very high | 117 Ų | 117 | 35.7 Ų | 35.7 | 63% | 0.626 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -78.6 | 75.9 | 176.9 | -169.1 | 15.3 | 0 | 0 | 0 | 110.1 | E870 | N761-E870 PolarHBondContact N-O 3.32Š|
| 762 | V | 96.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | trans | -136.9 | 153.7 | -179.8 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | Y755 P757 G760 E766 V767 P869 | Y755-V762 HydrophobicContact CD1-CG1 4.09Å; Y755-V762 HydrophobicContact CE1-CG1 4.41Å; P757-V762 HydrophobicContact CG-CG2 4.22Å; G760-V762 VanDerWaalsContact C-N 3.27Å; G760-V762 PolarHBondContact O-N 3.44Å; V762-E766 HydrophobicContact CB-CB 4.47Å; V762-V767 HydrophobicContact CG2-CG2 4.28Å; V762-P869 HydrophobicContact CG1-CB 3.85Å; V762-P869 HydrophobicContact CG1-CG 3.77Å | ||
| 763 | T | 94.8 | Very high | 95.4 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | trans | -87.1 | 160.3 | 172.1 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | E765 E766 V767 | T763-E765 PolarHBondContact O-N 3Å; T763-E766 WeakPolarHBondContact CB-OE2 3.26Å; T763-E766 WeakPolarHBondContact CG2-OE2 3.44Å; T763-E766 PolarHBondContact N-OE2 2.95Å; T763-E766 PolarHBondContact O-N 3.39Å; T763-E766 WeakPolarHBondContact OG1-CG 3.16Å; T763-E766 PolarHBondContact OG1-N 2.79Å; T763-E766 PolarHBondContact OG1-OE2 3.48Å; T763-V767 PolarHBondContact O-N 2.97Å | ||
| 764 | K | 91.4 | Very high | 95.6 | Very high | 135 Ų | 135 | 35.3 Ų | 35.3 | 59% | 0.587 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -58 | -34.4 | 172.8 | -73.5 | -167.4 | 178.1 | -172.4 | 0 | 111.9 | E551 P757 V767 T768 | E551-K764 IonicContact OE1-NZ 3.17Å; E551-K764 PolarHBondContact OE1-NZ 3.31Å; P757-K764 HydrophobicContact CG-CG 4.31Å; K764-V767 PolarHBondContact O-N 2.98Å; K764-T768 PolarHBondContact O-N 2.91Å; K764-T768 PolarHBondContact O-OG1 2.87Å |
| 765 | E | 93.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 35.7 Ų | 35.7 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 178.1 | -66.2 | -173.9 | -168.1 | 0 | 0 | 112.8 | T763 V767 T768 M769 V803 K806 | T763-E765 PolarHBondContact O-N 3Å; E765-V767 VanDerWaalsContact C-N 3.29Å; E765-V767 PolarHBondContact O-N 2.89Å; E765-T768 PolarHBondContact O-N 3.3Å; E765-M769 WeakPolarHBondContact O-CB 3.2Å; E765-M769 VanDerWaalsContact O-CG 3.31Å; E765-M769 WeakPolarHBondContact O-CG 3.41Å; E765-M769 PolarHBondContact O-N 3.34Å; E765-V803 HydrophobicContact CB-CG1 3.86Å; E765-V803 HydrophobicContact CG-CG1 4.17Å; E765-K806 IonicContact OE2-NZ 3.6Å; E765-K806 PolarHBondContact OE2-NZ 2.84Å |
| 766 | E | 95.4 | Very high | 95.6 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 39% | 0.393 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.6 | -30.4 | 178.2 | -74.1 | 161 | 132.1 | 0 | 0 | 112.4 | V762 T763 R770 | V762-E766 HydrophobicContact CB-CB 4.47Å; T763-E766 WeakPolarHBondContact CB-OE2 3.26Å; T763-E766 WeakPolarHBondContact CG2-OE2 3.44Å; T763-E766 PolarHBondContact N-OE2 2.95Å; T763-E766 PolarHBondContact O-N 3.39Å; T763-E766 WeakPolarHBondContact OG1-CG 3.16Å; T763-E766 PolarHBondContact OG1-N 2.79Å; T763-E766 PolarHBondContact OG1-OE2 3.48Å; E766-R770 WeakPolarHBondContact O-CB 3.38Å; E766-R770 PolarHBondContact O-N 3.44Å |
| 767 | V | 95.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -51.8 | 171.1 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | Y755 P757 V762 T763 K764 E765 M769 R770 E771 | Y755-V767 WeakPolarHBondContact O-CG2 3.45Å; P757-V767 HydrophobicContact CG-CG2 4.29Å; V762-V767 HydrophobicContact CG2-CG2 4.28Å; T763-V767 PolarHBondContact O-N 2.97Å; K764-V767 PolarHBondContact O-N 2.98Å; E765-V767 VanDerWaalsContact C-N 3.29Å; E765-V767 PolarHBondContact O-N 2.89Å; V767-M769 VanDerWaalsContact C-N 3.29Å; V767-M769 PolarHBondContact O-N 3.48Å; V767-R770 WeakPolarHBondContact O-CB 3.45Å; V767-R770 PolarHBondContact O-N 3.36Å; V767-R770 VanDerWaalsContact O-N 3.09Å; V767-E771 PolarHBondContact O-N 2.77Å; V767-E771 VanDerWaalsContact O-N 3.13Å |
| 768 | T | 95.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -36.1 | 177.6 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | K764 E765 E771 I772 L790 T798 V803 | K764-T768 PolarHBondContact O-N 2.91Å; K764-T768 PolarHBondContact O-OG1 2.87Å; E765-T768 PolarHBondContact O-N 3.3Å; T768-E771 PolarHBondContact O-N 2.83Å; T768-I772 HydrophobicContact CG2-CD1 4.1Å; T768-I772 WeakPolarHBondContact O-CD1 3.47Å; T768-I772 VanDerWaalsContact O-CG1 3.29Å; T768-I772 WeakPolarHBondContact O-CG1 3.49Å; T768-I772 PolarHBondContact O-N 3.05Å; T768-L790 HydrophobicContact CG2-CD1 4.38Å; T768-T798 WeakPolarHBondContact CG2-O 3.47Å; T768-V803 HydrophobicContact CG2-CG2 3.67Å |
| 769 | M | 95.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 171.9 | -76.6 | 175.7 | 46.7 | 0 | 0 | 111.7 | E765 V767 E771 I772 I773 V803 K806 V807 | E765-M769 WeakPolarHBondContact O-CB 3.2Å; E765-M769 VanDerWaalsContact O-CG 3.31Å; E765-M769 WeakPolarHBondContact O-CG 3.41Å; E765-M769 PolarHBondContact O-N 3.34Å; V767-M769 VanDerWaalsContact C-N 3.29Å; V767-M769 PolarHBondContact O-N 3.48Å; M769-E771 PolarHBondContact O-N 3.42Å; M769-I772 PolarHBondContact O-N 3.26Å; M769-I773 WeakPolarHBondContact O-CB 3.31Å; M769-I773 WeakPolarHBondContact O-CD1 3.34Å; M769-I773 WeakPolarHBondContact O-CG1 3.41Å; M769-I773 PolarHBondContact O-N 3.27Å; M769-V803 HydrophobicContact CG-CB 3.74Å; M769-V803 HydrophobicContact CG-CG1 3.94Å; M769-V803 HydrophobicContact CG-CG2 4.44Å; M769-K806 HydrophobicContact SD-CB 4.33Å; M769-K806 HydrophobicContact SD-CD 4.09Å; M769-V807 HydrophobicContact CB-CG1 3.88Å; M769-V807 HydrophobicContact CE-CG1 3.73Å; M769-V807 HydrophobicContact CG-CG1 3.75Å; M769-V807 HydrophobicContact SD-CG1 4.36Å |
| 770 | R | 95.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 177.4 | -179 | 172.9 | -174.5 | 74.6 | -5.8 | 111.4 | E753 Y755 E766 V767 I772 I773 H774 N832 F835 | E753-R770 IonicContact OE1-CZ 2.72Å; E753-R770 IonicContact OE1-NH2 3.77Å; E753-R770 PolarHBondContact OE1-NH2 3.01Å; E753-R770 IonicContact OE2-CZ 2.68Å; E753-R770 VanDerWaalsContact OE2-CZ 3.3Å; E753-R770 IonicContact OE2-NE 3.38Å; E753-R770 PolarHBondContact OE2-NE 3.06Å; E753-R770 IonicContact OE2-NH2 2.69Å; E753-R770 PolarHBondContact OE2-NH2 3.44Å; Y755-R770 HydrophobicContact CD1-CB 4.14Å; Y755-R770 HydrophobicContact CD1-CG 4.47Å; Y755-R770 HydrophobicContact CE1-CB 4.4Å; Y755-R770 VanDerWaalsContact CE2-NH1 3.27Å; Y755-R770 HydrophobicContact CG-CG 4.48Å; E766-R770 WeakPolarHBondContact O-CB 3.38Å; E766-R770 PolarHBondContact O-N 3.44Å; V767-R770 WeakPolarHBondContact O-CB 3.45Å; V767-R770 PolarHBondContact O-N 3.36Å; V767-R770 VanDerWaalsContact O-N 3.09Å; R770-I772 PolarHBondContact O-N 3.31Å; R770-I773 PolarHBondContact O-N 3.06Å; R770-H774 PolarHBondContact O-N 3.09Å; R770-H774 VanDerWaalsContact O-N 3.08Å; R770-H774 PolarHBondContact O-ND1 3.06Å; R770-N832 PolarHBondContact NH2-ND2 3.25Å; R770-F835 HydrophobicContact CG-CD2 4.4Å; R770-F835 HydrophobicContact CG-CE2 3.97Å |
| 771 | E | 95.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.4 | -51.6 | 176.9 | -67.1 | -81.4 | -168.5 | 0 | 0 | 111.8 | R684 V767 T768 M769 I773 H774 L775 L790 H837 | R684-E771 IonicContact CZ-OE1 3.69Å; R684-E771 IonicContact NH2-OE1 3.09Å; R684-E771 PolarHBondContact NH2-OE1 2.73Å; R684-E771 IonicContact NH2-OE2 2.77Å; R684-E771 PolarHBondContact NH2-OE2 3.48Å; V767-E771 PolarHBondContact O-N 2.77Å; V767-E771 VanDerWaalsContact O-N 3.13Å; T768-E771 PolarHBondContact O-N 2.83Å; M769-E771 PolarHBondContact O-N 3.42Å; E771-I773 PolarHBondContact O-N 3.35Å; E771-H774 PolarHBondContact O-N 3Å; E771-L775 WeakPolarHBondContact O-CG 3.39Å; E771-L775 PolarHBondContact O-N 2.98Å; E771-L790 HydrophobicContact CB-CD2 3.34Å; E771-L790 HydrophobicContact CG-CD2 4.02Å; E771-H837 IonicContact OE1-CE1 3.92Å; E771-H837 PolarHBondContact OE1-CE1 3.33Å; E771-H837 IonicContact OE1-ND1 2.85Å; E771-H837 PolarHBondContact OE1-ND1 3.24Å; E771-H837 IonicContact OE2-ND1 2.83Å |
| 772 | I | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | -178.4 | -62.1 | 161.3 | 0 | 0 | 0 | 111.5 | T768 M769 R770 H774 L775 L776 I786 L790 L800 V803 I804 V807 | T768-I772 HydrophobicContact CG2-CD1 4.1Å; T768-I772 WeakPolarHBondContact O-CD1 3.47Å; T768-I772 VanDerWaalsContact O-CG1 3.29Å; T768-I772 WeakPolarHBondContact O-CG1 3.49Å; T768-I772 PolarHBondContact O-N 3.05Å; M769-I772 PolarHBondContact O-N 3.26Å; R770-I772 PolarHBondContact O-N 3.31Å; I772-H774 VanDerWaalsContact C-N 3.3Å; I772-H774 PolarHBondContact O-N 3.48Å; I772-L775 PolarHBondContact O-N 3.09Å; I772-L776 HydrophobicContact CG2-CD1 3.76Å; I772-L776 HydrophobicContact CG2-CG 4.19Å; I772-L776 WeakPolarHBondContact O-CB 3.15Å; I772-L776 WeakPolarHBondContact O-CG 3.31Å; I772-L776 PolarHBondContact O-N 2.89Å; I772-I786 HydrophobicContact CG1-CG2 4.05Å; I772-L790 HydrophobicContact CG1-CD1 4.2Å; I772-L790 HydrophobicContact CG1-CD2 4.34Å; I772-L800 HydrophobicContact CD1-CD1 3.43Å; I772-L800 VanDerWaalsContact CD1-CD1 3.43Å; I772-L800 HydrophobicContact CG1-CD1 3.94Å; I772-V803 HydrophobicContact CD1-CG2 3.47Å; I772-V803 VanDerWaalsContact CD1-CG2 3.47Å; I772-I804 HydrophobicContact CG2-CD1 3.78Å; I772-V807 HydrophobicContact CB-CG2 4.07Å; I772-V807 HydrophobicContact CG2-CG2 3.55Å |
| 773 | I | 96.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 175.9 | -71.4 | 162.5 | 0 | 0 | 0 | 109.9 | M769 R770 E771 L776 C777 V807 L823 D830 | M769-I773 WeakPolarHBondContact O-CB 3.31Å; M769-I773 WeakPolarHBondContact O-CD1 3.34Å; M769-I773 WeakPolarHBondContact O-CG1 3.41Å; M769-I773 PolarHBondContact O-N 3.27Å; R770-I773 PolarHBondContact O-N 3.06Å; E771-I773 PolarHBondContact O-N 3.35Å; I773-L776 PolarHBondContact O-N 2.9Å; I773-C777 WeakPolarHBondContact O-CB 3.5Å; I773-C777 PolarHBondContact O-N 3.42Å; I773-C777 PolarHBondContact O-SG 3.36Å; I773-C777 VanDerWaalsContact O-SG 3.37Å; I773-V807 HydrophobicContact CD1-CG1 3.89Å; I773-V807 HydrophobicContact CG1-CB 4.09Å; I773-V807 HydrophobicContact CG1-CG1 3.83Å; I773-L823 HydrophobicContact CB-CD1 4.36Å; I773-L823 HydrophobicContact CG1-CD1 4.03Å; I773-L823 HydrophobicContact CG2-CD2 4.26Å; I773-D830 HydrophobicContact CD1-CB 4.24Å |
| 774 | H | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.5 | -34.8 | -177.2 | -70.6 | 86.4 | 0 | 0 | 0 | 112.9 | R770 E771 I772 N832 F835 Y838 | R770-H774 PolarHBondContact O-N 3.09Å; R770-H774 VanDerWaalsContact O-N 3.08Å; R770-H774 PolarHBondContact O-ND1 3.06Å; E771-H774 PolarHBondContact O-N 3Å; I772-H774 VanDerWaalsContact C-N 3.3Å; I772-H774 PolarHBondContact O-N 3.48Å; H774-N832 PolarHBondContact CD2-O 3.24Å; H774-N832 PolarHBondContact NE2-N 2.88Å; H774-N832 PolarHBondContact NE2-O 3.42Å; H774-F835 HydrophobicContact CB-CB 4.49Å; H774-F835 HydrophobicContact CB-CD1 3.33Å; H774-F835 HydrophobicContact CB-CE1 3.54Å; H774-F835 HydrophobicContact CB-CG 3.91Å; H774-F835 HydrophobicContact CB-CZ 4.3Å; H774-F835 WeakPolarHBondContact CD2-CB 3.43Å; H774-F835 AromaticContact CD2-CD1 3.87Å; H774-F835 AromaticContact CD2-CG 3.53Å; H774-F835 AromaticContact CG-CD1 3.48Å; H774-F835 VanDerWaalsContact CG-CD1 3.48Å; H774-F835 AromaticContact CG-CD2 3.97Å; H774-F835 AromaticContact CG-CE1 3.94Å; H774-F835 AromaticContact CG-CG 3.48Å; H774-F835 VanDerWaalsContact CG-CG 3.48Å; H774-F835 AromaticContact ND1-CD2 3.97Å; H774-F835 AromaticContact ND1-CG 3.96Å; H774-Y838 WeakPolarHBondContact CA-OH 3.4Å; H774-Y838 HydrophobicContact CB-CE1 3.87Å; H774-Y838 WeakPolarHBondContact CB-OH 3.33Å; H774-Y838 WeakPolarHBondContact O-CE1 3.35Å; H774-Y838 PolarHBondContact O-OH 3.44Å |
| 775 | L | 96.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -50.3 | 170.9 | -70 | 171 | 0 | 0 | 0 | 111.4 | E771 I772 C777 I778 M781 I786 N789 L790 | E771-L775 WeakPolarHBondContact O-CG 3.39Å; E771-L775 PolarHBondContact O-N 2.98Å; I772-L775 PolarHBondContact O-N 3.09Å; L775-C777 VanDerWaalsContact C-N 3.29Å; L775-C777 PolarHBondContact O-N 3.19Å; L775-I778 WeakPolarHBondContact O-CB 3.21Å; L775-I778 PolarHBondContact O-N 3.4Å; L775-I778 VanDerWaalsContact O-N 3.11Å; L775-M781 HydrophobicContact CB-CE 4.39Å; L775-M781 HydrophobicContact CB-SD 4.16Å; L775-M781 WeakPolarHBondContact O-CE 3.42Å; L775-I786 HydrophobicContact CD1-CG2 4.22Å; L775-N789 HydrophobicContact CD1-CB 3.82Å; L775-N789 HydrophobicContact CD2-CB 3.85Å; L775-L790 HydrophobicContact CD1-CD2 4.44Å |
| 776 | L | 96.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.8 | -13.8 | -177.3 | -61.9 | -178.9 | 0 | 0 | 0 | 114.1 | I772 I773 M781 I786 A808 Y821 L823 | I772-L776 HydrophobicContact CG2-CD1 3.76Å; I772-L776 HydrophobicContact CG2-CG 4.19Å; I772-L776 WeakPolarHBondContact O-CB 3.15Å; I772-L776 WeakPolarHBondContact O-CG 3.31Å; I772-L776 PolarHBondContact O-N 2.89Å; I773-L776 PolarHBondContact O-N 2.9Å; L776-M781 HydrophobicContact CD2-CB 3.93Å; L776-M781 HydrophobicContact CD2-CG 4.22Å; L776-I786 HydrophobicContact CD2-CD1 4.02Å; L776-I786 HydrophobicContact CD2-CG1 4.42Å; L776-A808 HydrophobicContact CD1-CB 3.56Å; L776-Y821 WeakPolarHBondContact CD2-O 3.5Å; L776-L823 HydrophobicContact CB-CB 3.86Å; L776-L823 HydrophobicContact CB-CD1 4.26Å; L776-L823 HydrophobicContact CD1-CD1 4.5Å |
| 777 | C | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.9 | 167.1 | -88.6 | 0 | 0 | 0 | 0 | 113.6 | I773 L775 L823 F831 Q850 | I773-C777 WeakPolarHBondContact O-CB 3.5Å; I773-C777 PolarHBondContact O-N 3.42Å; I773-C777 PolarHBondContact O-SG 3.36Å; I773-C777 VanDerWaalsContact O-SG 3.37Å; L775-C777 VanDerWaalsContact C-N 3.29Å; L775-C777 PolarHBondContact O-N 3.19Å; C777-L823 WeakPolarHBondContact SG-CD2 3.49Å; C777-F831 HydrophobicContact CB-CD2 3.73Å; C777-F831 HydrophobicContact CB-CE2 4.01Å; C777-F831 VanDerWaalsContact SG-CD2 3.57Å; C777-Q850 PolarHBondContact O-NE2 2.92Å |
| 778 | I | 95 | Very high | 94.9 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -59 | 172.6 | -59.6 | 165.3 | 0 | 0 | 0 | 109.4 | L775 Y838 Q842 K845 A846 M849 | L775-I778 WeakPolarHBondContact O-CB 3.21Å; L775-I778 PolarHBondContact O-N 3.4Å; L775-I778 VanDerWaalsContact O-N 3.11Å; I778-Y838 HydrophobicContact CD1-CD1 4.26Å; I778-Y838 HydrophobicContact CD1-CE1 3.74Å; I778-Y838 HydrophobicContact CG1-CE1 4.11Å; I778-Q842 HydrophobicContact CD1-CB 3.84Å; I778-Q842 HydrophobicContact CD1-CG 3.87Å; I778-K845 HydrophobicContact CG2-CB 4.04Å; I778-K845 HydrophobicContact CG2-CD 4.23Å; I778-A846 HydrophobicContact CG1-CB 4.12Å; I778-M849 WeakPolarHBondContact O-CE 3.41Å |
| 779 | E | 94.4 | Very high | 94.7 | Very high | 100 Ų | 100 | 36.4 Ų | 36.4 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | trans | -160.4 | 159.3 | -178.2 | 63.6 | -166.1 | 155.8 | 0 | 0 | 111.8 | M781 | E779-M781 HydrophobicContact CG-CE 3.79Å; E779-M781 HydrophobicContact CG-CG 4.27Å | ||
| 780 | P | 94.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 42% | 0.422 | 19% | 0.19 | S | C | . | . | trans | -63.1 | 134.1 | 170 | -22.7 | 35.7 | 0 | 0 | 0 | 112 | V820 Y821 E822 | P780-V820 HydrophobicContact CB-CB 4.2Å; P780-V820 HydrophobicContact CB-CG2 3.93Å; P780-Y821 VanDerWaalsContact CA-O 3.3Å; P780-Y821 WeakPolarHBondContact CA-O 3.41Å; P780-E822 HydrophobicContact CB-CG 3.76Å; P780-E822 HydrophobicContact CG-CG 3.81Å | ||
| 781 | M | 95.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 35 Ų | 35 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -128.5 | 144.2 | -173.2 | -65.3 | -176.5 | -172.8 | 0 | 0 | 113.1 | L775 L776 E779 A785 I786 Y821 | L775-M781 HydrophobicContact CB-CE 4.39Å; L775-M781 HydrophobicContact CB-SD 4.16Å; L775-M781 WeakPolarHBondContact O-CE 3.42Å; L776-M781 HydrophobicContact CD2-CB 3.93Å; L776-M781 HydrophobicContact CD2-CG 4.22Å; E779-M781 HydrophobicContact CG-CE 3.79Å; E779-M781 HydrophobicContact CG-CG 4.27Å; M781-A785 HydrophobicContact CB-CB 4.35Å; M781-I786 HydrophobicContact CB-CD1 4.28Å; M781-I786 HydrophobicContact CB-CG1 3.7Å; M781-Y821 PolarHBondContact N-O 3.02Å; M781-Y821 PolarHBondContact O-N 3.28Å |
| 782 | P | 94.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 28% | 0.279 | 22% | 0.216 | S | C | . | . | trans | -71.5 | 158.6 | 169.5 | 31.9 | -35.6 | 0 | 0 | 0 | 111.2 | S784 A785 I786 | P782-S784 VanDerWaalsContact C-N 3.32Å; P782-S784 PolarHBondContact O-N 3.02Å; P782-A785 HydrophobicContact CG-CB 3.79Å; P782-A785 PolarHBondContact O-N 3.07Å; P782-I786 PolarHBondContact O-N 3.44Å | ||
| 783 | H | 92.3 | Very high | 93 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 29% | 0.292 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -50.2 | -47.5 | -175.3 | -169.8 | -113.9 | 0 | 0 | 0 | 114 | A785 I786 A787 L800 E801 Y821 | H783-A785 VanDerWaalsContact C-N 3.32Å; H783-A785 PolarHBondContact O-N 2.96Å; H783-I786 PolarHBondContact O-N 3.19Å; H783-A787 WeakPolarHBondContact O-CB 3.42Å; H783-A787 PolarHBondContact O-N 3.23Å; H783-L800 WeakPolarHBondContact NE2-CD2 3.23Å; H783-E801 IonicContact CE1-OE1 3.55Å; H783-E801 PolarHBondContact CE1-OE1 3.32Å; H783-E801 IonicContact NE2-OE1 3.27Å; H783-E801 PolarHBondContact NE2-OE1 2.92Å; H783-E801 IonicContact NE2-OE2 3.61Å; H783-Y821 HydrophobicContact CB-CE2 4.05Å |
| 784 | S | 90.8 | Very high | 91.8 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.1 | -31.4 | -179 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | P782 K788 | P782-S784 VanDerWaalsContact C-N 3.32Å; P782-S784 PolarHBondContact O-N 3.02Å; S784-K788 WeakPolarHBondContact O-CB 3.43Å; S784-K788 PolarHBondContact O-N 3.48Å |
| 785 | A | 94.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 26% | 0.256 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.9 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | M781 P782 H783 N789 | M781-A785 HydrophobicContact CB-CB 4.35Å; P782-A785 HydrophobicContact CG-CB 3.79Å; P782-A785 PolarHBondContact O-N 3.07Å; H783-A785 VanDerWaalsContact C-N 3.32Å; H783-A785 PolarHBondContact O-N 2.96Å; A785-N789 PolarHBondContact O-N 3.25Å; A785-N789 PolarHBondContact O-ND2 3.42Å |
| 786 | I | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -52.3 | 173.6 | -55.2 | 171.5 | 0 | 0 | 0 | 109.3 | I772 L775 L776 M781 P782 H783 K788 N789 L790 L800 I804 Y821 | I772-I786 HydrophobicContact CG1-CG2 4.05Å; L775-I786 HydrophobicContact CD1-CG2 4.22Å; L776-I786 HydrophobicContact CD2-CD1 4.02Å; L776-I786 HydrophobicContact CD2-CG1 4.42Å; M781-I786 HydrophobicContact CB-CD1 4.28Å; M781-I786 HydrophobicContact CB-CG1 3.7Å; P782-I786 PolarHBondContact O-N 3.44Å; H783-I786 PolarHBondContact O-N 3.19Å; I786-K788 VanDerWaalsContact C-N 3.29Å; I786-K788 PolarHBondContact O-N 3.03Å; I786-N789 PolarHBondContact O-N 3.19Å; I786-L790 HydrophobicContact CG2-CD1 4.06Å; I786-L790 HydrophobicContact CG2-CG 4.44Å; I786-L790 WeakPolarHBondContact O-CG 3.34Å; I786-L790 PolarHBondContact O-N 3.35Å; I786-L800 HydrophobicContact CB-CD1 4.46Å; I786-L800 HydrophobicContact CB-CD2 4.06Å; I786-L800 HydrophobicContact CG2-CD1 3.64Å; I786-L800 HydrophobicContact CG2-CD2 3.95Å; I786-L800 HydrophobicContact CG2-CG 4.49Å; I786-I804 HydrophobicContact CD1-CD1 4.02Å; I786-Y821 HydrophobicContact CD1-CD2 3.92Å; I786-Y821 HydrophobicContact CD1-CG 4.23Å |
| 787 | A | 92.5 | Very high | 89 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 24% | 0.24 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.2 | -41.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H783 N789 L790 L800 | H783-A787 WeakPolarHBondContact O-CB 3.42Å; H783-A787 PolarHBondContact O-N 3.23Å; A787-N789 PolarHBondContact O-N 2.97Å; A787-L790 PolarHBondContact O-N 3.42Å; A787-L800 HydrophobicContact CB-CD2 3.87Å |
| 788 | K | 92.4 | Very high | 88.5 | Confident | 169 Ų | 169 | 52.7 Ų | 52.7 | 74% | 0.735 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64 | -24 | 177.7 | -176.8 | 177.4 | 176.7 | -174.9 | 0 | 114 | S784 I786 | S784-K788 WeakPolarHBondContact O-CB 3.43Å; S784-K788 PolarHBondContact O-N 3.48Å; I786-K788 VanDerWaalsContact C-N 3.29Å; I786-K788 PolarHBondContact O-N 3.03Å |
| 789 | N | 92.4 | Very high | 88.2 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 8.9 | -179.8 | -71.7 | -86 | 0 | 0 | 0 | 113 | L775 A785 I786 A787 | L775-N789 HydrophobicContact CD1-CB 3.82Å; L775-N789 HydrophobicContact CD2-CB 3.85Å; A785-N789 PolarHBondContact O-N 3.25Å; A785-N789 PolarHBondContact O-ND2 3.42Å; I786-N789 PolarHBondContact O-N 3.19Å; A787-N789 PolarHBondContact O-N 2.97Å |
| 790 | L | 93.1 | Very high | 88 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -105.9 | 148.4 | 173.3 | -68.6 | 175.5 | 0 | 0 | 0 | 110.9 | V681 T768 E771 I772 L775 I786 A787 T798 L800 | V681-L790 VanDerWaalsContact CG2-C 3.42Å; T768-L790 HydrophobicContact CG2-CD1 4.38Å; E771-L790 HydrophobicContact CB-CD2 3.34Å; E771-L790 HydrophobicContact CG-CD2 4.02Å; I772-L790 HydrophobicContact CG1-CD1 4.2Å; I772-L790 HydrophobicContact CG1-CD2 4.34Å; L775-L790 HydrophobicContact CD1-CD2 4.44Å; I786-L790 HydrophobicContact CG2-CD1 4.06Å; I786-L790 HydrophobicContact CG2-CG 4.44Å; I786-L790 WeakPolarHBondContact O-CG 3.34Å; I786-L790 PolarHBondContact O-N 3.35Å; A787-L790 PolarHBondContact O-N 3.42Å; L790-T798 HydrophobicContact CB-CG2 3.85Å; L790-L800 HydrophobicContact CD1-CB 3.85Å; L790-L800 HydrophobicContact CD1-CD1 4Å; L790-L800 HydrophobicContact CD1-CD2 4.25Å; L790-L800 HydrophobicContact CD1-CG 4.26Å |
| 791 | P | 88.8 | Confident | 87.7 | Confident | 23 Ų | 23 | 50 Ų | 50 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | trans | -65.8 | 144.1 | 173.1 | 27.4 | -33.4 | 0 | 0 | 0 | 111.2 | E685 T798 | E685-P791 VanDerWaalsContact CD-CB 3.4Å; E685-P791 HydrophobicContact CG-CB 4.03Å; E685-P791 HydrophobicContact CG-CG 4.4Å; E685-P791 VanDerWaalsContact OE1-CG 3.3Å; E685-P791 WeakPolarHBondContact OE1-CG 3.42Å; E685-P791 WeakPolarHBondContact OE2-CB 3.14Å; P791-T798 WeakPolarHBondContact O-CA 3.17Å | ||
| 792 | E | 86.1 | Confident | 87.3 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | trans | -98.5 | 132.2 | 175.6 | -72.1 | -177.1 | 161.7 | 0 | 0 | 110.6 | T798 | E792-T798 HydrophobicContact CG-CG2 4.07Š| ||
| 793 | N | 80.1 | Confident | 87.3 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | trans | -77.1 | -179.4 | 172.9 | 71.6 | 17.6 | 0 | 0 | 0 | 112.5 | N795 N796 E797 | N793-N795 PolarHBondContact O-N 3.49Å; N793-N795 WeakPolarHBondContact OD1-CA 3.34Å; N793-N795 WeakPolarHBondContact OD1-CB 3.39Å; N793-N795 PolarHBondContact OD1-N 3.34Å; N793-N796 WeakPolarHBondContact O-CA 3.44Å; N793-N796 PolarHBondContact O-N 2.97Å; N793-N796 PolarHBondContact OD1-N 3.48Å; N793-E797 PolarHBondContact N-O 2.95Å; N793-E797 PolarHBondContact ND2-O 3.15Å; N793-E797 PolarHBondContact OD1-N 3.48Å; N793-E797 PolarHBondContact OD1-O 2.99Å | ||
| 794 | E | 71.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -27.4 | 179.3 | -65.4 | 163.8 | -157.5 | 0 | 0 | 114.4 | K480 L547 M548 | K480-E794 PolarHBondContact NZ-O 3.18Å; L547-E794 HydrophobicContact CD2-CG 4.46Å; M548-E794 HydrophobicContact CG-CG 3.9Å; M548-E794 VanDerWaalsContact CG-OE1 3.26Å; M548-E794 WeakPolarHBondContact CG-OE1 3.44Å; M548-E794 HydrophobicContact SD-CG 4.23Å |
| 795 | N | 72.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.2 | 178.9 | -67.7 | -26.2 | 0 | 0 | 0 | 114 | R113 P119 N793 E797 | R113-N795 PolarHBondContact NH1-O 3.03Å; P119-N795 WeakPolarHBondContact CD-OD1 3.38Å; P119-N795 HydrophobicContact CG-CB 4.24Å; N793-N795 PolarHBondContact O-N 3.49Å; N793-N795 WeakPolarHBondContact OD1-CA 3.34Å; N793-N795 WeakPolarHBondContact OD1-CB 3.39Å; N793-N795 PolarHBondContact OD1-N 3.34Å; N795-E797 HydrophobicContact CB-CG 4.47Å |
| 796 | N | 76.8 | Confident | 87.6 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 58.3 | 44.3 | -168.9 | -45.7 | -42 | 0 | 0 | 0 | 112.1 | N793 | N793-N796 WeakPolarHBondContact O-CA 3.44Å; N793-N796 PolarHBondContact O-N 2.97Å; N793-N796 PolarHBondContact OD1-N 3.48Å |
| 797 | E | 81.8 | Confident | 87.6 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | trans | -118.6 | 147.1 | 170.6 | -63.9 | -167.3 | 129.9 | 0 | 0 | 111.3 | R137 N793 N795 | R137-E797 IonicContact CZ-OE1 2.83Å; R137-E797 IonicContact NH1-OE1 2.75Å; R137-E797 IonicContact NH2-OE1 3.32Å; R137-E797 PolarHBondContact NH2-OE1 3.46Å; N793-E797 PolarHBondContact N-O 2.95Å; N793-E797 PolarHBondContact ND2-O 3.15Å; N793-E797 PolarHBondContact OD1-N 3.48Å; N793-E797 PolarHBondContact OD1-O 2.99Å; N795-E797 HydrophobicContact CB-CG 4.47Å | ||
| 798 | T | 86.4 | Confident | 87.8 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | trans | -101.8 | -4.7 | -177.4 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | T768 L790 P791 E792 L800 | T768-T798 WeakPolarHBondContact CG2-O 3.47Å; L790-T798 HydrophobicContact CB-CG2 3.85Å; P791-T798 WeakPolarHBondContact O-CA 3.17Å; E792-T798 HydrophobicContact CG-CG2 4.07Å; T798-L800 PolarHBondContact O-N 2.91Å; T798-L800 WeakPolarHBondContact OG1-CB 3.36Å | ||
| 799 | G | 86.8 | Confident | 88 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 25% | 0.247 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 72.5 | -3.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E801 N802 | G799-E801 VanDerWaalsContact C-N 3.35Å; G799-E801 PolarHBondContact O-N 3.43Å; G799-N802 WeakPolarHBondContact O-CB 3.38Å; G799-N802 PolarHBondContact O-N 3.33Å; G799-N802 VanDerWaalsContact O-N 3.12Å |
| 800 | L | 91.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -48.9 | -47.8 | -174.5 | 177.6 | 54.5 | 0 | 0 | 0 | 114.2 | I772 H783 I786 A787 L790 T798 N802 V803 I804 | I772-L800 HydrophobicContact CD1-CD1 3.43Å; I772-L800 VanDerWaalsContact CD1-CD1 3.43Å; I772-L800 HydrophobicContact CG1-CD1 3.94Å; H783-L800 WeakPolarHBondContact NE2-CD2 3.23Å; I786-L800 HydrophobicContact CB-CD1 4.46Å; I786-L800 HydrophobicContact CB-CD2 4.06Å; I786-L800 HydrophobicContact CG2-CD1 3.64Å; I786-L800 HydrophobicContact CG2-CD2 3.95Å; I786-L800 HydrophobicContact CG2-CG 4.49Å; A787-L800 HydrophobicContact CB-CD2 3.87Å; L790-L800 HydrophobicContact CD1-CB 3.85Å; L790-L800 HydrophobicContact CD1-CD1 4Å; L790-L800 HydrophobicContact CD1-CD2 4.25Å; L790-L800 HydrophobicContact CD1-CG 4.26Å; T798-L800 PolarHBondContact O-N 2.91Å; T798-L800 WeakPolarHBondContact OG1-CB 3.36Å; L800-N802 PolarHBondContact O-N 2.88Å; L800-V803 PolarHBondContact O-N 3.2Å; L800-V803 VanDerWaalsContact O-N 3.12Å; L800-I804 HydrophobicContact CD1-CB 3.86Å; L800-I804 HydrophobicContact CD1-CD1 3.98Å; L800-I804 HydrophobicContact CD1-CG1 4.16Å; L800-I804 HydrophobicContact CG-CB 4.49Å; L800-I804 WeakPolarHBondContact O-CB 3.46Å; L800-I804 PolarHBondContact O-N 3.39Å |
| 801 | E | 88.1 | Confident | 88.1 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.2 | -32.8 | -176.7 | -58.9 | -69.3 | -176 | 0 | 0 | 113.1 | H783 G799 V803 | H783-E801 IonicContact CE1-OE1 3.55Å; H783-E801 PolarHBondContact CE1-OE1 3.32Å; H783-E801 IonicContact NE2-OE1 3.27Å; H783-E801 PolarHBondContact NE2-OE1 2.92Å; H783-E801 IonicContact NE2-OE2 3.61Å; G799-E801 VanDerWaalsContact C-N 3.35Å; G799-E801 PolarHBondContact O-N 3.43Å; E801-V803 VanDerWaalsContact C-N 3.3Å; E801-V803 PolarHBondContact O-N 2.85Å |
| 802 | N | 87.5 | Confident | 87.9 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -74 | -22 | -177.2 | -61.8 | -20.8 | 0 | 0 | 0 | 112.7 | G799 L800 K806 | G799-N802 WeakPolarHBondContact O-CB 3.38Å; G799-N802 PolarHBondContact O-N 3.33Å; G799-N802 VanDerWaalsContact O-N 3.12Å; L800-N802 PolarHBondContact O-N 2.88Å; N802-K806 WeakPolarHBondContact O-CE 3.07Å |
| 803 | V | 93.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -126.2 | -20.2 | -167.7 | -65 | 0 | 0 | 0 | 0 | 114.8 | E765 T768 M769 I772 L800 E801 N805 K806 V807 | E765-V803 HydrophobicContact CB-CG1 3.86Å; E765-V803 HydrophobicContact CG-CG1 4.17Å; T768-V803 HydrophobicContact CG2-CG2 3.67Å; M769-V803 HydrophobicContact CG-CB 3.74Å; M769-V803 HydrophobicContact CG-CG1 3.94Å; M769-V803 HydrophobicContact CG-CG2 4.44Å; I772-V803 HydrophobicContact CD1-CG2 3.47Å; I772-V803 VanDerWaalsContact CD1-CG2 3.47Å; L800-V803 PolarHBondContact O-N 3.2Å; L800-V803 VanDerWaalsContact O-N 3.12Å; E801-V803 VanDerWaalsContact C-N 3.3Å; E801-V803 PolarHBondContact O-N 2.85Å; V803-N805 VanDerWaalsContact C-N 3.3Å; V803-N805 PolarHBondContact O-N 2.96Å; V803-K806 WeakPolarHBondContact O-CA 3.34Å; V803-K806 VanDerWaalsContact O-CB 3.25Å; V803-K806 WeakPolarHBondContact O-CB 3.48Å; V803-K806 PolarHBondContact O-N 3.19Å; V803-V807 PolarHBondContact O-N 3.27Å |
| 804 | I | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.4 | -42.9 | -174 | -172.2 | 56.9 | 0 | 0 | 0 | 112.6 | I772 I786 L800 K806 V807 A808 Y821 | I772-I804 HydrophobicContact CG2-CD1 3.78Å; I786-I804 HydrophobicContact CD1-CD1 4.02Å; L800-I804 HydrophobicContact CD1-CB 3.86Å; L800-I804 HydrophobicContact CD1-CD1 3.98Å; L800-I804 HydrophobicContact CD1-CG1 4.16Å; L800-I804 HydrophobicContact CG-CB 4.49Å; L800-I804 WeakPolarHBondContact O-CB 3.46Å; L800-I804 PolarHBondContact O-N 3.39Å; I804-K806 PolarHBondContact O-N 3.4Å; I804-V807 PolarHBondContact O-N 3.41Å; I804-A808 HydrophobicContact CD1-CB 3.76Å; I804-A808 HydrophobicContact CG1-CB 4.45Å; I804-A808 WeakPolarHBondContact O-CB 3.43Å; I804-A808 PolarHBondContact O-N 2.94Å; I804-Y821 HydrophobicContact CD1-CD1 3.89Å; I804-Y821 HydrophobicContact CD1-CD2 4.38Å; I804-Y821 HydrophobicContact CD1-CE1 4.31Å; I804-Y821 HydrophobicContact CD1-CG 3.92Å; I804-Y821 HydrophobicContact CG1-CD1 3.55Å; I804-Y821 HydrophobicContact CG1-CD2 4.26Å; I804-Y821 HydrophobicContact CG1-CE1 3.46Å; I804-Y821 VanDerWaalsContact CG1-CE1 3.46Å; I804-Y821 HydrophobicContact CG1-CE2 4.19Å; I804-Y821 HydrophobicContact CG1-CG 3.95Å; I804-Y821 HydrophobicContact CG2-CE1 4.49Å |
| 805 | N | 93.8 | Very high | 87.7 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.5 | -14.1 | 177.9 | -68.2 | -50.8 | 0 | 0 | 0 | 113.7 | V803 K824 | V803-N805 VanDerWaalsContact C-N 3.3Å; V803-N805 PolarHBondContact O-N 2.96Å; N805-K824 PolarHBondContact O-NZ 3.03Å |
| 806 | K | 95.2 | Very high | 87 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -76.9 | -45.5 | 173.7 | -55.6 | -174.9 | -176.1 | -173.8 | 0 | 110.3 | E765 M769 N802 V803 I804 K824 | E765-K806 IonicContact OE2-NZ 3.6Å; E765-K806 PolarHBondContact OE2-NZ 2.84Å; M769-K806 HydrophobicContact SD-CB 4.33Å; M769-K806 HydrophobicContact SD-CD 4.09Å; N802-K806 WeakPolarHBondContact O-CE 3.07Å; V803-K806 WeakPolarHBondContact O-CA 3.34Å; V803-K806 VanDerWaalsContact O-CB 3.25Å; V803-K806 WeakPolarHBondContact O-CB 3.48Å; V803-K806 PolarHBondContact O-N 3.19Å; I804-K806 PolarHBondContact O-N 3.4Å; K806-K824 WeakPolarHBondContact O-CD 3.3Å; K806-K824 WeakPolarHBondContact O-CE 3.46Å; K806-K824 PolarHBondContact O-NZ 3.35Å |
| 807 | V | 96 | Very high | 86.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -96.6 | -26.7 | -173.6 | -64.9 | 0 | 0 | 0 | 0 | 115.2 | M769 I772 I773 V803 I804 L823 K824 | M769-V807 HydrophobicContact CB-CG1 3.88Å; M769-V807 HydrophobicContact CE-CG1 3.73Å; M769-V807 HydrophobicContact CG-CG1 3.75Å; M769-V807 HydrophobicContact SD-CG1 4.36Å; I772-V807 HydrophobicContact CB-CG2 4.07Å; I772-V807 HydrophobicContact CG2-CG2 3.55Å; I773-V807 HydrophobicContact CD1-CG1 3.89Å; I773-V807 HydrophobicContact CG1-CB 4.09Å; I773-V807 HydrophobicContact CG1-CG1 3.83Å; V803-V807 PolarHBondContact O-N 3.27Å; I804-V807 PolarHBondContact O-N 3.41Å; V807-L823 HydrophobicContact CB-CD1 4.41Å; V807-L823 WeakPolarHBondContact O-CD1 3.28Å; V807-K824 WeakPolarHBondContact O-CB 3.46Å; V807-K824 WeakPolarHBondContact O-CG 3.4Å; V807-K824 PolarHBondContact O-N 2.87Å |
| 808 | A | 96.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.017 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 164.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L776 I804 Y821 E822 K824 | L776-A808 HydrophobicContact CD1-CB 3.56Å; I804-A808 HydrophobicContact CD1-CB 3.76Å; I804-A808 HydrophobicContact CG1-CB 4.45Å; I804-A808 WeakPolarHBondContact O-CB 3.43Å; I804-A808 PolarHBondContact O-N 2.94Å; A808-Y821 HydrophobicContact CB-CD1 4.06Å; A808-Y821 HydrophobicContact CB-CG 4.47Å; A808-E822 CarbonylContact C-O 3.51Å; A808-E822 VanDerWaalsContact CA-O 3.26Å; A808-E822 WeakPolarHBondContact CA-O 3.4Å; A808-E822 WeakPolarHBondContact CB-O 3.4Å; A808-K824 VanDerWaalsContact O-CE 3.23Å; A808-K824 WeakPolarHBondContact O-CE 3.38Å |
| 809 | T | 95.7 | Very high | 86.9 | Confident | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.9 | 170.4 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | K811 Y821 E822 K824 | T809-K811 PolarHBondContact O-N 3.44Å; T809-Y821 WeakPolarHBondContact O-CA 3.35Å; T809-E822 PolarHBondContact N-O 3.48Å; T809-E822 PolarHBondContact O-N 3.03Å; T809-E822 PolarHBondContact OG1-O 3.41Å; T809-K824 HydrophobicContact CG2-CG 3.99Å |
| 810 | F | 94.8 | Very high | 87.2 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 46% | 0.456 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.4 | 176 | -177.4 | -107.7 | 0 | 0 | 0 | 111.1 | K812 Y821 | F810-K812 HydrophobicContact CD1-CG 4.42Å; F810-K812 HydrophobicContact CE1-CG 4.16Å; F810-Y821 HydrophobicContact CB-CD1 4.04Å; F810-Y821 HydrophobicContact CB-CE1 3.68Å; F810-Y821 HydrophobicContact CD2-CD1 4.28Å; F810-Y821 HydrophobicContact CD2-CD2 4.25Å; F810-Y821 AromaticContact CD2-CE1 3.95Å; F810-Y821 HydrophobicContact CD2-CE1 3.95Å; F810-Y821 AromaticContact CD2-CE2 3.91Å; F810-Y821 HydrophobicContact CD2-CE2 3.91Å; F810-Y821 HydrophobicContact CD2-CG 4.43Å; F810-Y821 AromaticContact CD2-CZ 3.75Å; F810-Y821 HydrophobicContact CE2-CE2 4.45Å; F810-Y821 HydrophobicContact CG-CE1 4.27Å |
| 811 | K | 92 | Very high | 87.4 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.7 | 174 | -170 | 166.2 | -174.8 | 166.5 | 0 | 109 | T809 G819 V820 E822 | T809-K811 PolarHBondContact O-N 3.44Å; K811-G819 VanDerWaalsContact O-CA 3.31Å; K811-G819 WeakPolarHBondContact O-CA 3.12Å; K811-V820 HydrophobicContact CB-CG2 4.17Å; K811-V820 WeakPolarHBondContact CB-O 3.43Å; K811-V820 PolarHBondContact N-O 3.14Å; K811-V820 PolarHBondContact O-N 3.45Å; K811-V820 VanDerWaalsContact O-N 3.08Å; K811-E822 HydrophobicContact CD-CG 4.19Å; K811-E822 VanDerWaalsContact CD-OE1 3.26Å; K811-E822 WeakPolarHBondContact CD-OE1 3.39Å; K811-E822 VanDerWaalsContact CD-OE2 3.28Å; K811-E822 WeakPolarHBondContact CD-OE2 3.49Å; K811-E822 IonicContact NZ-OE1 3.19Å; K811-E822 PolarHBondContact NZ-OE1 3.29Å; K811-E822 IonicContact NZ-OE2 2.63Å; K811-E822 PolarHBondContact NZ-OE2 3.44Å |
| 812 | K | 86.5 | Confident | 87.8 | Confident | 174 Ų | 174 | 73.4 Ų | 73.4 | 76% | 0.757 | 41% | 0.411 | S | S | * | . | trans | -56.9 | 144.9 | 176.8 | -68.2 | -172.9 | 178.4 | -174.3 | 0 | 110.4 | F810 | F810-K812 HydrophobicContact CD1-CG 4.42Å; F810-K812 HydrophobicContact CE1-CG 4.16Å | ||
| 813 | P | 84.6 | Confident | 88.2 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | trans | -59.8 | 150.3 | 175.3 | 24.8 | -32.7 | 0 | 0 | 0 | 111.7 | G817 | P813-G817 VanDerWaalsContact CB-C 3.48Å; P813-G817 WeakPolarHBondContact CB-O 3.44Å | ||
| 814 | G | 76.3 | Confident | 88.3 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 63% | 0.629 | 40% | 0.398 | S | S | * | . | trans | -72.3 | -173.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S816 G817 | G814-S816 PolarHBondContact O-N 3.39Å; G814-G817 PolarHBondContact O-N 3.21Å | ||
| 815 | V | 71.8 | Confident | 88.2 | Confident | 164 Ų | 164 | 77.4 Ų | 77.4 | 99% | 0.994 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20 | -172.3 | -170.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 816 | S | 58.1 | Low | 88.1 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.8 | 23.2 | -176.6 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | G814 | G814-S816 PolarHBondContact O-N 3.39Š|
| 817 | G | 71.9 | Confident | 88.1 | Confident | 41 Ų | 41 | 75.5 Ų | 75.5 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | trans | -116.9 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P813 G814 | P813-G817 VanDerWaalsContact CB-C 3.48Å; P813-G817 WeakPolarHBondContact CB-O 3.44Å; G814-G817 PolarHBondContact O-N 3.21Å | ||
| 818 | H | 79.8 | Confident | 87.8 | Confident | 170 Ų | 170 | 77.2 Ų | 77.2 | 79% | 0.787 | 43% | 0.429 | S | S | * | . | trans | -99.2 | 151.4 | 160.5 | -59.5 | -65.2 | 0 | 0 | 0 | 109.9 | ||||
| 819 | G | 89.6 | Confident | 87.6 | Confident | 14 Ų | 14 | 84 Ų | 84 | 14% | 0.144 | 46% | 0.458 | C | S | . | . | trans | -71.5 | 142.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K811 | K811-G819 VanDerWaalsContact O-CA 3.31Å; K811-G819 WeakPolarHBondContact O-CA 3.12Å | ||
| 820 | V | 94.4 | Very high | 87.5 | Confident | 37 Ų | 37 | 82.8 Ų | 82.8 | 22% | 0.224 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152 | -176.1 | -62.4 | 0 | 0 | 0 | 0 | 111 | P780 K811 | P780-V820 HydrophobicContact CB-CB 4.2Å; P780-V820 HydrophobicContact CB-CG2 3.93Å; K811-V820 HydrophobicContact CB-CG2 4.17Å; K811-V820 WeakPolarHBondContact CB-O 3.43Å; K811-V820 PolarHBondContact N-O 3.14Å; K811-V820 PolarHBondContact O-N 3.45Å; K811-V820 VanDerWaalsContact O-N 3.08Å |
| 821 | Y | 96.3 | Very high | 87.5 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 11% | 0.106 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.6 | 170.1 | -71.5 | -84 | 0 | 0 | 0 | 109.8 | L776 P780 M781 H783 I786 I804 A808 T809 F810 | L776-Y821 WeakPolarHBondContact CD2-O 3.5Å; P780-Y821 VanDerWaalsContact CA-O 3.3Å; P780-Y821 WeakPolarHBondContact CA-O 3.41Å; M781-Y821 PolarHBondContact N-O 3.02Å; M781-Y821 PolarHBondContact O-N 3.28Å; H783-Y821 HydrophobicContact CB-CE2 4.05Å; I786-Y821 HydrophobicContact CD1-CD2 3.92Å; I786-Y821 HydrophobicContact CD1-CG 4.23Å; I804-Y821 HydrophobicContact CD1-CD1 3.89Å; I804-Y821 HydrophobicContact CD1-CD2 4.38Å; I804-Y821 HydrophobicContact CD1-CE1 4.31Å; I804-Y821 HydrophobicContact CD1-CG 3.92Å; I804-Y821 HydrophobicContact CG1-CD1 3.55Å; I804-Y821 HydrophobicContact CG1-CD2 4.26Å; I804-Y821 HydrophobicContact CG1-CE1 3.46Å; I804-Y821 VanDerWaalsContact CG1-CE1 3.46Å; I804-Y821 HydrophobicContact CG1-CE2 4.19Å; I804-Y821 HydrophobicContact CG1-CG 3.95Å; I804-Y821 HydrophobicContact CG2-CE1 4.49Å; A808-Y821 HydrophobicContact CB-CD1 4.06Å; A808-Y821 HydrophobicContact CB-CG 4.47Å; T809-Y821 WeakPolarHBondContact O-CA 3.35Å; F810-Y821 HydrophobicContact CB-CD1 4.04Å; F810-Y821 HydrophobicContact CB-CE1 3.68Å; F810-Y821 HydrophobicContact CD2-CD1 4.28Å; F810-Y821 HydrophobicContact CD2-CD2 4.25Å; F810-Y821 AromaticContact CD2-CE1 3.95Å; F810-Y821 HydrophobicContact CD2-CE1 3.95Å; F810-Y821 AromaticContact CD2-CE2 3.91Å; F810-Y821 HydrophobicContact CD2-CE2 3.91Å; F810-Y821 HydrophobicContact CD2-CG 4.43Å; F810-Y821 AromaticContact CD2-CZ 3.75Å; F810-Y821 HydrophobicContact CE2-CE2 4.45Å; F810-Y821 HydrophobicContact CG-CE1 4.27Å |
| 822 | E | 95.1 | Very high | 87.7 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.29 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.9 | 171.4 | -69 | -173.3 | 162 | 0 | 0 | 109.1 | P780 A808 T809 K811 | P780-E822 HydrophobicContact CB-CG 3.76Å; P780-E822 HydrophobicContact CG-CG 3.81Å; A808-E822 CarbonylContact C-O 3.51Å; A808-E822 VanDerWaalsContact CA-O 3.26Å; A808-E822 WeakPolarHBondContact CA-O 3.4Å; A808-E822 WeakPolarHBondContact CB-O 3.4Å; T809-E822 PolarHBondContact N-O 3.48Å; T809-E822 PolarHBondContact O-N 3.03Å; T809-E822 PolarHBondContact OG1-O 3.41Å; K811-E822 HydrophobicContact CD-CG 4.19Å; K811-E822 VanDerWaalsContact CD-OE1 3.26Å; K811-E822 WeakPolarHBondContact CD-OE1 3.39Å; K811-E822 VanDerWaalsContact CD-OE2 3.28Å; K811-E822 WeakPolarHBondContact CD-OE2 3.49Å; K811-E822 IonicContact NZ-OE1 3.19Å; K811-E822 PolarHBondContact NZ-OE1 3.29Å; K811-E822 IonicContact NZ-OE2 2.63Å; K811-E822 PolarHBondContact NZ-OE2 3.44Å |
| 823 | L | 95.9 | Very high | 88 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.8 | 179.7 | -170.6 | 66.5 | 0 | 0 | 0 | 111 | I773 L776 C777 V807 L828 | I773-L823 HydrophobicContact CB-CD1 4.36Å; I773-L823 HydrophobicContact CG1-CD1 4.03Å; I773-L823 HydrophobicContact CG2-CD2 4.26Å; L776-L823 HydrophobicContact CB-CB 3.86Å; L776-L823 HydrophobicContact CB-CD1 4.26Å; L776-L823 HydrophobicContact CD1-CD1 4.5Å; C777-L823 WeakPolarHBondContact SG-CD2 3.49Å; V807-L823 HydrophobicContact CB-CD1 4.41Å; V807-L823 WeakPolarHBondContact O-CD1 3.28Å; L823-L828 HydrophobicContact CD2-CD2 3.74Å; L823-L828 HydrophobicContact CD2-CG 4.33Å |
| 824 | K | 95.8 | Very high | 88.5 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | trans | -70 | 141.2 | 172.5 | -67.3 | 175.9 | -170.4 | 176.7 | 0 | 111.3 | N805 K806 V807 A808 T809 E826 S827 | N805-K824 PolarHBondContact O-NZ 3.03Å; K806-K824 WeakPolarHBondContact O-CD 3.3Å; K806-K824 WeakPolarHBondContact O-CE 3.46Å; K806-K824 PolarHBondContact O-NZ 3.35Å; V807-K824 WeakPolarHBondContact O-CB 3.46Å; V807-K824 WeakPolarHBondContact O-CG 3.4Å; V807-K824 PolarHBondContact O-N 2.87Å; A808-K824 VanDerWaalsContact O-CE 3.23Å; A808-K824 WeakPolarHBondContact O-CE 3.38Å; T809-K824 HydrophobicContact CG2-CG 3.99Å; K824-E826 PolarHBondContact O-N 2.94Å; K824-E826 VanDerWaalsContact O-N 3.17Å; K824-S827 PolarHBondContact O-N 3.3Å | ||
| 825 | D | 91.8 | Very high | 89.5 | Confident | 123 Ų | 123 | 61 Ų | 61 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -57.3 | -33.5 | 177.2 | -62.9 | -32.6 | 0 | 0 | 0 | 113 | S827 L828 | D825-S827 PolarHBondContact O-N 3.05Å; D825-L828 HydrophobicContact CB-CD1 4.38Å; D825-L828 WeakPolarHBondContact O-CB 3.37Å; D825-L828 PolarHBondContact O-N 2.95Å |
| 826 | E | 92.6 | Very high | 90.5 | Very high | 155 Ų | 155 | 54 Ų | 54 | 72% | 0.724 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -62.4 | -25.1 | 176.7 | -64.7 | 178.9 | -170.1 | 0 | 0 | 113.9 | K824 K829 | K824-E826 PolarHBondContact O-N 2.94Å; K824-E826 VanDerWaalsContact O-N 3.17Å; E826-K829 VanDerWaalsContact O-CD 3.23Å; E826-K829 WeakPolarHBondContact O-CD 3.25Å; E826-K829 VanDerWaalsContact O-CE 3.24Å; E826-K829 WeakPolarHBondContact O-CE 3.46Å; E826-K829 WeakPolarHBondContact O-CG 3.39Å |
| 827 | S | 93.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -91.1 | -9.1 | -179.9 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | K824 D825 K829 D830 | K824-S827 PolarHBondContact O-N 3.3Å; D825-S827 PolarHBondContact O-N 3.05Å; S827-K829 PolarHBondContact O-N 2.79Å; S827-D830 PolarHBondContact O-N 3.12Å |
| 828 | L | 91.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -66.7 | -22.7 | 177.5 | -70.5 | 167.6 | 0 | 0 | 0 | 113.3 | L823 D825 D830 F831 | L823-L828 HydrophobicContact CD2-CD2 3.74Å; L823-L828 HydrophobicContact CD2-CG 4.33Å; D825-L828 HydrophobicContact CB-CD1 4.38Å; D825-L828 WeakPolarHBondContact O-CB 3.37Å; D825-L828 PolarHBondContact O-N 2.95Å; L828-D830 PolarHBondContact O-N 2.98Å; L828-F831 WeakPolarHBondContact O-CB 3.42Å; L828-F831 PolarHBondContact O-N 2.95Å |
| 829 | K | 91.3 | Very high | 93.9 | Very high | 146 Ų | 146 | 42.3 Ų | 42.3 | 64% | 0.635 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -63.8 | -20.3 | 175.4 | 75.3 | -167.7 | 176.5 | -169.6 | 0 | 112.9 | E826 S827 P866 | E826-K829 VanDerWaalsContact O-CD 3.23Å; E826-K829 WeakPolarHBondContact O-CD 3.25Å; E826-K829 VanDerWaalsContact O-CE 3.24Å; E826-K829 WeakPolarHBondContact O-CE 3.46Å; E826-K829 WeakPolarHBondContact O-CG 3.39Å; S827-K829 PolarHBondContact O-N 2.79Å; K829-P866 WeakPolarHBondContact O-CB 3.4Å |
| 830 | D | 93.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 47 Ų | 47 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -99.1 | 0.1 | -174.2 | -52.4 | -54.5 | 0 | 0 | 0 | 112.2 | I773 S827 L828 N832 | I773-D830 HydrophobicContact CD1-CB 4.24Å; S827-D830 PolarHBondContact O-N 3.12Å; L828-D830 PolarHBondContact O-N 2.98Å; D830-N832 PolarHBondContact O-N 3Å |
| 831 | F | 95.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | trans | -65.6 | 124.4 | 175.5 | 170.5 | -105.6 | 0 | 0 | 0 | 111.7 | C777 L828 M833 Y838 A846 Q850 L863 P866 | C777-F831 HydrophobicContact CB-CD2 3.73Å; C777-F831 HydrophobicContact CB-CE2 4.01Å; C777-F831 VanDerWaalsContact SG-CD2 3.57Å; L828-F831 WeakPolarHBondContact O-CB 3.42Å; L828-F831 PolarHBondContact O-N 2.95Å; F831-M833 HydrophobicContact CE1-CB 4.28Å; F831-M833 HydrophobicContact CZ-CB 4.43Å; F831-Y838 HydrophobicContact CE2-CE2 4.21Å; F831-A846 HydrophobicContact CE2-CB 4.1Å; F831-A846 HydrophobicContact CZ-CB 4.22Å; F831-Q850 HydrophobicContact CD1-CG 4.06Å; F831-Q850 HydrophobicContact CD2-CG 4.47Å; F831-Q850 HydrophobicContact CE1-CB 4.19Å; F831-Q850 HydrophobicContact CE1-CG 3.74Å; F831-Q850 HydrophobicContact CE2-CG 4.16Å; F831-Q850 HydrophobicContact CG-CG 4.41Å; F831-Q850 HydrophobicContact CZ-CG 3.78Å; F831-L863 HydrophobicContact CE1-CD1 4.42Å; F831-L863 HydrophobicContact CE1-CD2 4.47Å; F831-P866 WeakPolarHBondContact O-CD 3.45Å | ||
| 832 | N | 95.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | trans | -104.4 | 126.9 | 168.2 | -173.1 | 13.9 | 0 | 0 | 0 | 109.9 | E753 R770 H774 D830 Y834 F835 P866 H916 | E753-N832 PolarHBondContact OE1-ND2 2.77Å; R770-N832 PolarHBondContact NH2-ND2 3.25Å; H774-N832 PolarHBondContact CD2-O 3.24Å; H774-N832 PolarHBondContact NE2-N 2.88Å; H774-N832 PolarHBondContact NE2-O 3.42Å; D830-N832 PolarHBondContact O-N 3Å; N832-Y834 PolarHBondContact ND2-O 3.46Å; N832-Y834 PolarHBondContact OD1-N 3.42Å; N832-F835 HydrophobicContact CB-CB 4.47Å; N832-F835 PolarHBondContact O-N 2.99Å; N832-P866 HydrophobicContact CB-CG 4.01Å; N832-H916 PolarHBondContact OD1-CE1 2.95Å; N832-H916 VanDerWaalsContact OD1-CE1 3.27Å | ||
| 833 | M | 93.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -46.6 | 174.6 | -170.3 | 170.9 | 80.1 | 0 | 0 | 111.1 | F831 F835 H843 E847 L863 | F831-M833 HydrophobicContact CE1-CB 4.28Å; F831-M833 HydrophobicContact CZ-CB 4.43Å; M833-F835 VanDerWaalsContact C-N 3.28Å; M833-F835 PolarHBondContact O-N 2.86Å; M833-H843 PolarHBondContact O-CD2 3.38Å; M833-H843 PolarHBondContact O-NE2 3.35Å; M833-E847 HydrophobicContact SD-CG 4.03Å; M833-L863 HydrophobicContact CG-CD1 4.46Å; M833-L863 HydrophobicContact SD-CB 3.94Å; M833-L863 HydrophobicContact SD-CD1 3.79Å |
| 834 | Y | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 54 | 176.2 | -62.6 | -67.5 | 0 | 0 | 0 | 111.3 | I748 Y749 N832 Y836 H843 Q912 M913 H916 | I748-Y834 HydrophobicContact CD1-CD2 3.78Å; I748-Y834 HydrophobicContact CD1-CE2 4.01Å; I748-Y834 HydrophobicContact CD1-CG 4.13Å; I748-Y834 HydrophobicContact CG2-CD2 4.47Å; I748-Y834 HydrophobicContact CG2-CG 4.42Å; Y749-Y834 WeakPolarHBondContact CE1-O 3.37Å; N832-Y834 PolarHBondContact ND2-O 3.46Å; N832-Y834 PolarHBondContact OD1-N 3.42Å; Y834-Y836 PolarHBondContact O-N 3.36Å; Y834-H843 AromaticContact CD1-NE2 3.39Å; Y834-H843 WeakPolarHBondContact CD1-NE2 3.45Å; Y834-H843 AromaticContact CE1-CE1 3.95Å; Y834-H843 AromaticContact CE1-NE2 3.34Å; Y834-H843 VanDerWaalsContact CE1-NE2 3.34Å; Y834-H843 WeakPolarHBondContact CE1-NE2 3.28Å; Y834-Q912 VanDerWaalsContact OH-C 3.29Å; Y834-Q912 WeakPolarHBondContact OH-CB 3.5Å; Y834-M913 HydrophobicContact CE1-CE 3.94Å; Y834-M913 HydrophobicContact CE1-CG 3.72Å; Y834-M913 HydrophobicContact CE2-CG 4.22Å; Y834-M913 WeakPolarHBondContact OH-CG 3.42Å; Y834-M913 PolarHBondContact OH-N 3.45Å; Y834-H916 HydrophobicContact CD2-CB 3.91Å; Y834-H916 AromaticContact CD2-CD2 3.84Å; Y834-H916 AromaticContact CD2-CE1 3.8Å; Y834-H916 AromaticContact CD2-CG 3.52Å; Y834-H916 AromaticContact CD2-ND1 3.51Å; Y834-H916 HydrophobicContact CE2-CB 3.65Å; Y834-H916 AromaticContact CE2-CG 3.78Å; Y834-H916 AromaticContact CE2-ND1 3.9Å |
| 835 | F | 96.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | trans | -70.6 | 119.3 | 168.8 | 175.2 | -122.3 | 0 | 0 | 0 | 109.9 | R770 H774 N832 M833 H837 Y838 | R770-F835 HydrophobicContact CG-CD2 4.4Å; R770-F835 HydrophobicContact CG-CE2 3.97Å; H774-F835 HydrophobicContact CB-CB 4.49Å; H774-F835 HydrophobicContact CB-CD1 3.33Å; H774-F835 HydrophobicContact CB-CE1 3.54Å; H774-F835 HydrophobicContact CB-CG 3.91Å; H774-F835 HydrophobicContact CB-CZ 4.3Å; H774-F835 WeakPolarHBondContact CD2-CB 3.43Å; H774-F835 AromaticContact CD2-CD1 3.87Å; H774-F835 AromaticContact CD2-CG 3.53Å; H774-F835 AromaticContact CG-CD1 3.48Å; H774-F835 VanDerWaalsContact CG-CD1 3.48Å; H774-F835 AromaticContact CG-CD2 3.97Å; H774-F835 AromaticContact CG-CE1 3.94Å; H774-F835 AromaticContact CG-CG 3.48Å; H774-F835 VanDerWaalsContact CG-CG 3.48Å; H774-F835 AromaticContact ND1-CD2 3.97Å; H774-F835 AromaticContact ND1-CG 3.96Å; N832-F835 HydrophobicContact CB-CB 4.47Å; N832-F835 PolarHBondContact O-N 2.99Å; M833-F835 VanDerWaalsContact C-N 3.28Å; M833-F835 PolarHBondContact O-N 2.86Å; F835-H837 HydrophobicContact CD1-CB 4.31Å; F835-H837 HydrophobicContact CE1-CB 3.67Å; F835-H837 HydrophobicContact CZ-CB 3.8Å; F835-H837 AromaticContact CZ-ND1 3.62Å; F835-H837 PolarHBondContact O-N 3.26Å; F835-H837 VanDerWaalsContact O-N 3.09Å; F835-Y838 HydrophobicContact CB-CD2 3.88Å; F835-Y838 HydrophobicContact CB-CE2 3.91Å; F835-Y838 HydrophobicContact CB-CG 4.37Å; F835-Y838 AromaticContact CD1-CD1 3.88Å; F835-Y838 HydrophobicContact CD1-CD1 3.88Å; F835-Y838 HydrophobicContact CD1-CD2 4.38Å; F835-Y838 AromaticContact CD1-CE1 3.95Å; F835-Y838 HydrophobicContact CD1-CE1 3.95Å; F835-Y838 HydrophobicContact CD1-CE2 4.44Å; F835-Y838 HydrophobicContact CD1-CG 4.12Å; F835-Y838 WeakPolarHBondContact O-CB 3.49Å; F835-Y838 PolarHBondContact O-N 3.08Å | ||
| 836 | Y | 93.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.2 | -166.8 | 74.6 | -61.1 | 0 | 0 | 0 | 116.5 | Y688 D689 E753 Y834 | Y688-Y836 HydrophobicContact CD1-CD2 4.26Å; Y688-Y836 AromaticContact CE1-CD2 3.79Å; Y688-Y836 HydrophobicContact CE1-CD2 3.79Å; D689-Y836 VanDerWaalsContact OD2-CE2 3.28Å; D689-Y836 WeakPolarHBondContact OD2-CE2 3.35Å; D689-Y836 PolarHBondContact OD2-OH 3.21Å; E753-Y836 HydrophobicContact CB-CD1 4.11Å; E753-Y836 HydrophobicContact CB-CE1 4.24Å; E753-Y836 HydrophobicContact CB-CG 4.48Å; E753-Y836 HydrophobicContact CG-CD1 3.44Å; E753-Y836 VanDerWaalsContact CG-CD1 3.44Å; E753-Y836 HydrophobicContact CG-CE1 4.04Å; E753-Y836 HydrophobicContact CG-CG 3.81Å; Y834-Y836 PolarHBondContact O-N 3.36Å |
| 837 | H | 95.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 4 | 174.1 | -60.4 | 148.5 | 0 | 0 | 0 | 114.7 | R684 D689 E771 F835 S839 | R684-H837 VanDerWaalsContact CD-CD2 3.48Å; R684-H837 WeakPolarHBondContact CD-CD2 3.31Å; R684-H837 PolarHBondContact NE-CD2 3.14Å; R684-H837 VanDerWaalsContact NE-CD2 3.32Å; R684-H837 PolarHBondContact NE-ND1 2.86Å; R684-H837 PolarHBondContact NH2-ND1 2.95Å; R684-H837 VanDerWaalsContact NH2-ND1 3.14Å; D689-H837 IonicContact OD1-CD2 3.75Å; D689-H837 IonicContact OD1-NE2 3.62Å; D689-H837 PolarHBondContact OD1-NE2 2.74Å; D689-H837 IonicContact OD2-CE1 3.5Å; D689-H837 PolarHBondContact OD2-CE1 3.25Å; D689-H837 IonicContact OD2-NE2 2.78Å; D689-H837 PolarHBondContact OD2-NE2 2.83Å; E771-H837 IonicContact OE1-CE1 3.92Å; E771-H837 PolarHBondContact OE1-CE1 3.33Å; E771-H837 IonicContact OE1-ND1 2.85Å; E771-H837 PolarHBondContact OE1-ND1 3.24Å; E771-H837 IonicContact OE2-ND1 2.83Å; F835-H837 HydrophobicContact CD1-CB 4.31Å; F835-H837 HydrophobicContact CE1-CB 3.67Å; F835-H837 HydrophobicContact CZ-CB 3.8Å; F835-H837 AromaticContact CZ-ND1 3.62Å; F835-H837 PolarHBondContact O-N 3.26Å; F835-H837 VanDerWaalsContact O-N 3.09Å; H837-S839 PolarHBondContact O-N 3.36Å |
| 838 | Y | 94.7 | Very high | 93.9 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 7% | 0.071 | 24% | 0.24 | C | C | . | . | trans | -74.2 | 123.5 | 168.1 | -74 | -28.4 | 0 | 0 | 0 | 111.3 | H774 I778 F831 F835 Q842 H843 A846 | H774-Y838 WeakPolarHBondContact CA-OH 3.4Å; H774-Y838 HydrophobicContact CB-CE1 3.87Å; H774-Y838 WeakPolarHBondContact CB-OH 3.33Å; H774-Y838 WeakPolarHBondContact O-CE1 3.35Å; H774-Y838 PolarHBondContact O-OH 3.44Å; I778-Y838 HydrophobicContact CD1-CD1 4.26Å; I778-Y838 HydrophobicContact CD1-CE1 3.74Å; I778-Y838 HydrophobicContact CG1-CE1 4.11Å; F831-Y838 HydrophobicContact CE2-CE2 4.21Å; F835-Y838 HydrophobicContact CB-CD2 3.88Å; F835-Y838 HydrophobicContact CB-CE2 3.91Å; F835-Y838 HydrophobicContact CB-CG 4.37Å; F835-Y838 AromaticContact CD1-CD1 3.88Å; F835-Y838 HydrophobicContact CD1-CD1 3.88Å; F835-Y838 HydrophobicContact CD1-CD2 4.38Å; F835-Y838 AromaticContact CD1-CE1 3.95Å; F835-Y838 HydrophobicContact CD1-CE1 3.95Å; F835-Y838 HydrophobicContact CD1-CE2 4.44Å; F835-Y838 HydrophobicContact CD1-CG 4.12Å; F835-Y838 WeakPolarHBondContact O-CB 3.49Å; F835-Y838 PolarHBondContact O-N 3.08Å; Y838-Q842 HydrophobicContact CD1-CB 3.85Å; Y838-Q842 HydrophobicContact CG-CB 4.18Å; Y838-H843 HydrophobicContact CD2-CB 4.48Å; Y838-A846 HydrophobicContact CE2-CB 3.72Å | ||
| 839 | S | 91.8 | Very high | 94 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | trans | -60.5 | 157.9 | 157.1 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | H837 T841 Q842 H843 | H837-S839 PolarHBondContact O-N 3.36Å; S839-T841 PolarHBondContact O-N 3.06Å; S839-T841 VanDerWaalsContact O-N 3.07Å; S839-T841 PolarHBondContact OG-OG1 3.01Å; S839-Q842 VanDerWaalsContact CB-OE1 3.3Å; S839-Q842 WeakPolarHBondContact O-CA 3.44Å; S839-Q842 WeakPolarHBondContact O-CB 3.45Å; S839-Q842 PolarHBondContact O-N 2.67Å; S839-Q842 WeakPolarHBondContact OG-CG 3.5Å; S839-Q842 PolarHBondContact OG-N 3.11Å; S839-Q842 PolarHBondContact OG-OE1 2.89Å; S839-H843 PolarHBondContact O-N 3.37Å | ||
| 840 | K | 88.8 | Confident | 94.2 | Very high | 114 Ų | 114 | 43 Ų | 43 | 50% | 0.496 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52 | -36.8 | 179.3 | -64.6 | -174.1 | 175.5 | -111.5 | 0 | 113.2 | V660 E742 S844 | V660-K840 VanDerWaalsContact CG1-NZ 3.27Å; E742-K840 IonicContact OE1-NZ 3.33Å; E742-K840 PolarHBondContact OE1-NZ 3.37Å; K840-S844 PolarHBondContact O-N 3.45Å; K840-S844 PolarHBondContact O-OG 3.24Å |
| 841 | T | 92.5 | Very high | 94.1 | Very high | 96 Ų | 96 | 42.3 Ų | 42.3 | 59% | 0.589 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -71.7 | -34.7 | 177.3 | 71 | 0 | 0 | 0 | 0 | 113.3 | S839 K845 | S839-T841 PolarHBondContact O-N 3.06Å; S839-T841 VanDerWaalsContact O-N 3.07Å; S839-T841 PolarHBondContact OG-OG1 3.01Å; T841-K845 WeakPolarHBondContact O-CB 3.48Å; T841-K845 VanDerWaalsContact O-CG 3.27Å; T841-K845 WeakPolarHBondContact O-CG 3.36Å; T841-K845 PolarHBondContact O-N 3.08Å |
| 842 | Q | 94.9 | Very high | 94 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.7 | -41.3 | 175.8 | -72.5 | 163.9 | -56 | 0 | 0 | 111 | I778 Y838 S839 K845 A846 | I778-Q842 HydrophobicContact CD1-CB 3.84Å; I778-Q842 HydrophobicContact CD1-CG 3.87Å; Y838-Q842 HydrophobicContact CD1-CB 3.85Å; Y838-Q842 HydrophobicContact CG-CB 4.18Å; S839-Q842 VanDerWaalsContact CB-OE1 3.3Å; S839-Q842 WeakPolarHBondContact O-CA 3.44Å; S839-Q842 WeakPolarHBondContact O-CB 3.45Å; S839-Q842 PolarHBondContact O-N 2.67Å; S839-Q842 WeakPolarHBondContact OG-CG 3.5Å; S839-Q842 PolarHBondContact OG-N 3.11Å; S839-Q842 PolarHBondContact OG-OE1 2.89Å; Q842-K845 PolarHBondContact O-N 3.29Å; Q842-A846 WeakPolarHBondContact O-CB 3.28Å; Q842-A846 PolarHBondContact O-N 3.01Å |
| 843 | H | 94.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.7 | -55.1 | 175.1 | 178.9 | -85.5 | 0 | 0 | 0 | 111.5 | M833 Y834 Y838 S839 K845 A846 E847 | M833-H843 PolarHBondContact O-CD2 3.38Å; M833-H843 PolarHBondContact O-NE2 3.35Å; Y834-H843 AromaticContact CD1-NE2 3.39Å; Y834-H843 WeakPolarHBondContact CD1-NE2 3.45Å; Y834-H843 AromaticContact CE1-CE1 3.95Å; Y834-H843 AromaticContact CE1-NE2 3.34Å; Y834-H843 VanDerWaalsContact CE1-NE2 3.34Å; Y834-H843 WeakPolarHBondContact CE1-NE2 3.28Å; Y838-H843 HydrophobicContact CD2-CB 4.48Å; S839-H843 PolarHBondContact O-N 3.37Å; H843-K845 VanDerWaalsContact C-N 3.32Å; H843-K845 PolarHBondContact O-N 2.88Å; H843-A846 PolarHBondContact O-N 2.93Å; H843-E847 PolarHBondContact O-N 3.46Å |
| 844 | S | 94.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 178.7 | -59 | 0 | 0 | 0 | 0 | 113.5 | K840 H848 | K840-S844 PolarHBondContact O-N 3.45Å; K840-S844 PolarHBondContact O-OG 3.24Å; S844-H848 WeakPolarHBondContact O-CB 3.26Å; S844-H848 PolarHBondContact O-N 3.23Å; S844-H848 VanDerWaalsContact O-N 3.14Å |
| 845 | K | 95.8 | Very high | 93.4 | Very high | 117 Ų | 117 | 57.2 Ų | 57.2 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 174.4 | -77.1 | 176.6 | 176.2 | -172.7 | 0 | 111.8 | I778 T841 Q842 H843 H848 M849 | I778-K845 HydrophobicContact CG2-CB 4.04Å; I778-K845 HydrophobicContact CG2-CD 4.23Å; T841-K845 WeakPolarHBondContact O-CB 3.48Å; T841-K845 VanDerWaalsContact O-CG 3.27Å; T841-K845 WeakPolarHBondContact O-CG 3.36Å; T841-K845 PolarHBondContact O-N 3.08Å; Q842-K845 PolarHBondContact O-N 3.29Å; H843-K845 VanDerWaalsContact C-N 3.32Å; H843-K845 PolarHBondContact O-N 2.88Å; K845-H848 PolarHBondContact O-N 2.91Å; K845-M849 WeakPolarHBondContact O-CB 3.31Å; K845-M849 PolarHBondContact O-N 3.37Å |
| 846 | A | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I778 F831 Y838 Q842 H843 H848 M849 Q850 | I778-A846 HydrophobicContact CG1-CB 4.12Å; F831-A846 HydrophobicContact CE2-CB 4.1Å; F831-A846 HydrophobicContact CZ-CB 4.22Å; Y838-A846 HydrophobicContact CE2-CB 3.72Å; Q842-A846 WeakPolarHBondContact O-CB 3.28Å; Q842-A846 PolarHBondContact O-N 3.01Å; H843-A846 PolarHBondContact O-N 2.93Å; A846-H848 PolarHBondContact O-N 3.22Å; A846-M849 PolarHBondContact O-N 3.5Å; A846-Q850 WeakPolarHBondContact O-CG 3.06Å; A846-Q850 PolarHBondContact O-N 3.48Å |
| 847 | E | 94.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 15% | 0.15 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.8 | -52 | 175.9 | -170.4 | -158.4 | 165.2 | 0 | 0 | 111.4 | M833 H843 M849 Q850 K851 L863 | M833-E847 HydrophobicContact SD-CG 4.03Å; H843-E847 PolarHBondContact O-N 3.46Å; E847-M849 PolarHBondContact O-N 3.13Å; E847-Q850 PolarHBondContact O-N 3Å; E847-K851 HydrophobicContact CG-CD 4.28Å; E847-K851 PolarHBondContact O-N 3.47Å; E847-K851 WeakPolarHBondContact OE1-CE 3.3Å; E847-K851 IonicContact OE1-NZ 3.97Å; E847-K851 PolarHBondContact OE1-NZ 3.5Å; E847-L863 HydrophobicContact CG-CD1 3.88Å |
| 848 | H | 94.4 | Very high | 92.8 | Very high | 121 Ų | 121 | 72.8 Ų | 72.8 | 56% | 0.56 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 179.8 | -179.5 | 75.3 | 0 | 0 | 0 | 112.3 | S844 K845 A846 K852 | S844-H848 WeakPolarHBondContact O-CB 3.26Å; S844-H848 PolarHBondContact O-N 3.23Å; S844-H848 VanDerWaalsContact O-N 3.14Å; K845-H848 PolarHBondContact O-N 2.91Å; A846-H848 PolarHBondContact O-N 3.22Å; H848-K852 WeakPolarHBondContact O-CB 3.42Å; H848-K852 PolarHBondContact O-N 2.97Å |
| 849 | M | 93.9 | Very high | 92.5 | Very high | 64 Ų | 64 | 77.6 Ų | 77.6 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | -179.8 | -171.3 | 60 | 72.7 | 0 | 0 | 111.9 | I778 K845 A846 E847 R853 | I778-M849 WeakPolarHBondContact O-CE 3.41Å; K845-M849 WeakPolarHBondContact O-CB 3.31Å; K845-M849 PolarHBondContact O-N 3.37Å; A846-M849 PolarHBondContact O-N 3.5Å; E847-M849 PolarHBondContact O-N 3.13Å; M849-R853 WeakPolarHBondContact O-CB 3.44Å; M849-R853 PolarHBondContact O-N 2.93Å |
| 850 | Q | 93.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 78.6 Ų | 78.6 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.2 | -39.8 | -178.8 | -61.8 | -53 | -38 | 0 | 0 | 112.5 | C777 F831 A846 E847 R853 R854 L863 | C777-Q850 PolarHBondContact O-NE2 2.92Å; F831-Q850 HydrophobicContact CD1-CG 4.06Å; F831-Q850 HydrophobicContact CD2-CG 4.47Å; F831-Q850 HydrophobicContact CE1-CB 4.19Å; F831-Q850 HydrophobicContact CE1-CG 3.74Å; F831-Q850 HydrophobicContact CE2-CG 4.16Å; F831-Q850 HydrophobicContact CG-CG 4.41Å; F831-Q850 HydrophobicContact CZ-CG 3.78Å; A846-Q850 WeakPolarHBondContact O-CG 3.06Å; A846-Q850 PolarHBondContact O-N 3.48Å; E847-Q850 PolarHBondContact O-N 3Å; Q850-R853 PolarHBondContact O-N 2.98Å; Q850-R854 WeakPolarHBondContact O-CG 3.4Å; Q850-R854 PolarHBondContact O-N 3.41Å; Q850-L863 HydrophobicContact CB-CD1 4.37Å; Q850-L863 HydrophobicContact CB-CD2 3.89Å |
| 851 | K | 92.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 76 Ų | 76 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 170.7 | -75.5 | -177.9 | 171.8 | 173.4 | 0 | 111.5 | E847 R853 R854 K855 E861 L863 | E847-K851 HydrophobicContact CG-CD 4.28Å; E847-K851 PolarHBondContact O-N 3.47Å; E847-K851 WeakPolarHBondContact OE1-CE 3.3Å; E847-K851 IonicContact OE1-NZ 3.97Å; E847-K851 PolarHBondContact OE1-NZ 3.5Å; K851-R853 VanDerWaalsContact C-N 3.34Å; K851-R853 PolarHBondContact O-N 3.11Å; K851-R854 PolarHBondContact O-N 2.7Å; K851-K855 WeakPolarHBondContact O-CB 3.43Å; K851-K855 PolarHBondContact O-N 3.35Å; K851-E861 HydrophobicContact CG-CB 4.32Å; K851-L863 HydrophobicContact CG-CD1 4.02Å; K851-L863 HydrophobicContact CG-CG 4.34Å |
| 852 | K | 92.8 | Very high | 92.4 | Very high | 100 Ų | 100 | 71.5 Ų | 71.5 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 176.4 | -178.5 | -179.1 | 178.4 | -177.2 | 0 | 112.4 | H848 Q856 | H848-K852 WeakPolarHBondContact O-CB 3.42Å; H848-K852 PolarHBondContact O-N 2.97Å; K852-Q856 WeakPolarHBondContact O-CG 3.41Å; K852-Q856 PolarHBondContact O-N 3.47Å; K852-Q856 VanDerWaalsContact O-N 3.13Å |
| 853 | R | 90.1 | Very high | 92.3 | Very high | 60 Ų | 60 | 70 Ų | 70 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 176.9 | -174.2 | -179.5 | -58.3 | -155.8 | 4.6 | 111.8 | M849 Q850 K851 K855 Q856 E857 | M849-R853 WeakPolarHBondContact O-CB 3.44Å; M849-R853 PolarHBondContact O-N 2.93Å; Q850-R853 PolarHBondContact O-N 2.98Å; K851-R853 VanDerWaalsContact C-N 3.34Å; K851-R853 PolarHBondContact O-N 3.11Å; R853-K855 VanDerWaalsContact C-N 3.29Å; R853-K855 PolarHBondContact O-N 2.95Å; R853-Q856 WeakPolarHBondContact O-CB 3.43Å; R853-Q856 PolarHBondContact O-N 3.37Å; R853-E857 WeakPolarHBondContact CG-OE1 3.45Å; R853-E857 PolarHBondContact O-N 3.46Å |
| 854 | R | 90.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 70 Ų | 70 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.9 | -42.9 | 177.1 | -78.3 | 167.4 | 158.9 | -95.5 | 7.3 | 112.6 | Q850 K851 Q856 E857 N858 K859 D860 A862 | Q850-R854 WeakPolarHBondContact O-CG 3.4Å; Q850-R854 PolarHBondContact O-N 3.41Å; K851-R854 PolarHBondContact O-N 2.7Å; R854-Q856 PolarHBondContact O-N 3.13Å; R854-E857 CarbonylContact O-C 3.54Å; R854-E857 PolarHBondContact O-N 3.26Å; R854-E857 VanDerWaalsContact O-N 3.15Å; R854-N858 PolarHBondContact O-N 2.88Å; R854-K859 HydrophobicContact CB-CB 4.29Å; R854-K859 PolarHBondContact O-N 2.92Å; R854-D860 WeakPolarHBondContact CB-O 3.38Å; R854-D860 WeakPolarHBondContact CD-O 3.23Å; R854-D860 PolarHBondContact NH1-O 3.07Å; R854-D860 IonicContact NH1-OD1 2.71Å; R854-D860 PolarHBondContact NH1-OD1 3.13Å; R854-D860 IonicContact NH1-OD2 3.74Å; R854-A862 PolarHBondContact NE-O 3.32Å; R854-A862 PolarHBondContact NH1-O 3.38Å; R854-A862 PolarHBondContact NH2-O 3.38Å |
| 855 | K | 91.1 | Very high | 92.2 | Very high | 131 Ų | 131 | 66.9 Ų | 66.9 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | 175.1 | -161.8 | -172.3 | -159.6 | 94.2 | 0 | 112.7 | K851 R853 E857 N858 E861 | K851-K855 WeakPolarHBondContact O-CB 3.43Å; K851-K855 PolarHBondContact O-N 3.35Å; R853-K855 VanDerWaalsContact C-N 3.29Å; R853-K855 PolarHBondContact O-N 2.95Å; K855-E857 VanDerWaalsContact C-N 3.31Å; K855-N858 PolarHBondContact O-N 3.37Å; K855-E861 IonicContact NZ-OE1 2.71Å; K855-E861 PolarHBondContact NZ-OE1 3.08Å |
| 856 | Q | 91.8 | Very high | 92.1 | Very high | 137 Ų | 137 | 61.9 Ų | 61.9 | 64% | 0.64 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.2 | -31.3 | 175.1 | -72 | 173.1 | -21.5 | 0 | 0 | 112.7 | K852 R853 R854 N858 | K852-Q856 WeakPolarHBondContact O-CG 3.41Å; K852-Q856 PolarHBondContact O-N 3.47Å; K852-Q856 VanDerWaalsContact O-N 3.13Å; R853-Q856 WeakPolarHBondContact O-CB 3.43Å; R853-Q856 PolarHBondContact O-N 3.37Å; R854-Q856 PolarHBondContact O-N 3.13Å; Q856-N858 VanDerWaalsContact C-N 3.28Å; Q856-N858 PolarHBondContact O-N 2.81Å |
| 857 | E | 90.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.6 | 175.8 | -67.5 | 174.6 | -155.9 | 0 | 0 | 113.9 | R853 R854 K855 K859 | R853-E857 WeakPolarHBondContact CG-OE1 3.45Å; R853-E857 PolarHBondContact O-N 3.46Å; R854-E857 CarbonylContact O-C 3.54Å; R854-E857 PolarHBondContact O-N 3.26Å; R854-E857 VanDerWaalsContact O-N 3.15Å; K855-E857 VanDerWaalsContact C-N 3.31Å; E857-K859 VanDerWaalsContact C-N 3.27Å; E857-K859 HydrophobicContact CB-CD 4.13Å; E857-K859 HydrophobicContact CB-CG 4.15Å; E857-K859 PolarHBondContact O-N 2.78Å; E857-K859 WeakPolarHBondContact OE2-CD 3.47Å; E857-K859 WeakPolarHBondContact OE2-CE 3.39Å; E857-K859 IonicContact OE2-NZ 2.75Å; E857-K859 PolarHBondContact OE2-NZ 3.32Å |
| 858 | N | 90.1 | Very high | 91.6 | Very high | 155 Ų | 155 | 64.9 Ų | 64.9 | 83% | 0.829 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 36.5 | -171.4 | -54.5 | -79.8 | 0 | 0 | 0 | 113.6 | R854 K855 Q856 | R854-N858 PolarHBondContact O-N 2.88Å; K855-N858 PolarHBondContact O-N 3.37Å; Q856-N858 VanDerWaalsContact C-N 3.28Å; Q856-N858 PolarHBondContact O-N 2.81Å |
| 859 | K | 87.8 | Confident | 91.6 | Very high | 119 Ų | 119 | 60.1 Ų | 60.1 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | trans | -100.1 | 165.2 | 171.8 | -65.8 | 175.3 | -179.4 | 166.9 | 0 | 110.8 | R854 E857 | R854-K859 HydrophobicContact CB-CB 4.29Å; R854-K859 PolarHBondContact O-N 2.92Å; E857-K859 VanDerWaalsContact C-N 3.27Å; E857-K859 HydrophobicContact CB-CD 4.13Å; E857-K859 HydrophobicContact CB-CG 4.15Å; E857-K859 PolarHBondContact O-N 2.78Å; E857-K859 WeakPolarHBondContact OE2-CD 3.47Å; E857-K859 WeakPolarHBondContact OE2-CE 3.39Å; E857-K859 IonicContact OE2-NZ 2.75Å; E857-K859 PolarHBondContact OE2-NZ 3.32Å | ||
| 860 | D | 89.8 | Confident | 91.6 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | trans | -58.4 | 148.2 | 167.7 | 56.7 | 94.3 | 0 | 0 | 0 | 112 | R854 A862 D973 | R854-D860 WeakPolarHBondContact CB-O 3.38Å; R854-D860 WeakPolarHBondContact CD-O 3.23Å; R854-D860 PolarHBondContact NH1-O 3.07Å; R854-D860 IonicContact NH1-OD1 2.71Å; R854-D860 PolarHBondContact NH1-OD1 3.13Å; R854-D860 IonicContact NH1-OD2 3.74Å; D860-A862 PolarHBondContact O-N 3.3Å; D860-A862 WeakPolarHBondContact OD1-CB 3.37Å; D860-A862 PolarHBondContact OD1-N 2.93Å; D860-D973 WeakPolarHBondContact CA-OD2 3.37Å; D860-D973 HydrophobicContact CB-CB 4.22Å | ||
| 861 | E | 90 | Very high | 91.7 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | trans | -84.8 | 10.5 | 178.9 | -64 | -169.3 | -146.3 | 0 | 0 | 112.7 | K851 K855 D973 | K851-E861 HydrophobicContact CG-CB 4.32Å; K855-E861 IonicContact NZ-OE1 2.71Å; K855-E861 PolarHBondContact NZ-OE1 3.08Å; E861-D973 PolarHBondContact N-OD2 2.93Å | ||
| 862 | A | 91.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | trans | -69.1 | 135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | R854 D860 P864 D973 M974 W977 | R854-A862 PolarHBondContact NE-O 3.32Å; R854-A862 PolarHBondContact NH1-O 3.38Å; R854-A862 PolarHBondContact NH2-O 3.38Å; D860-A862 PolarHBondContact O-N 3.3Å; D860-A862 WeakPolarHBondContact OD1-CB 3.37Å; D860-A862 PolarHBondContact OD1-N 2.93Å; A862-P864 WeakPolarHBondContact O-CD 3.47Å; A862-D973 HydrophobicContact CB-CB 4.06Å; A862-M974 HydrophobicContact CB-CB 4.37Å; A862-M974 HydrophobicContact CB-SD 4.34Å; A862-W977 HydrophobicContact CB-CB 4.32Å | ||
| 863 | L | 93.4 | Very high | 92 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | trans | -116.8 | 71.7 | 176.4 | -61.9 | -179.2 | 0 | 0 | 0 | 110.3 | F831 M833 E847 Q850 K851 | F831-L863 HydrophobicContact CE1-CD1 4.42Å; F831-L863 HydrophobicContact CE1-CD2 4.47Å; M833-L863 HydrophobicContact CG-CD1 4.46Å; M833-L863 HydrophobicContact SD-CB 3.94Å; M833-L863 HydrophobicContact SD-CD1 3.79Å; E847-L863 HydrophobicContact CG-CD1 3.88Å; Q850-L863 HydrophobicContact CB-CD1 4.37Å; Q850-L863 HydrophobicContact CB-CD2 3.89Å; K851-L863 HydrophobicContact CG-CD1 4.02Å; K851-L863 HydrophobicContact CG-CG 4.34Å | ||
| 864 | P | 92.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 153.6 | 178 | 31 | -36.4 | 0 | 0 | 0 | 111.8 | A862 M974 W977 | A862-P864 WeakPolarHBondContact O-CD 3.47Å; P864-M974 HydrophobicContact CB-SD 4.47Å; P864-W977 HydrophobicContact CB-CD2 3.81Å; P864-W977 VanDerWaalsContact CB-CE2 3.5Å; P864-W977 HydrophobicContact CB-CE3 3.97Å; P864-W977 HydrophobicContact CB-CH2 3.59Å; P864-W977 HydrophobicContact CB-CZ2 3.38Å; P864-W977 HydrophobicContact CB-CZ3 3.9Å; P864-W977 HydrophobicContact CG-CD2 4.28Å; P864-W977 HydrophobicContact CG-CZ2 3.89Å |
| 865 | P | 94.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 141.7 | 170.9 | 6 | -12.3 | 0 | 0 | 0 | 111.9 | H916 A919 L920 L923 | P865-H916 VanDerWaalsContact CB-CE1 3.43Å; P865-H916 WeakPolarHBondContact CB-CE1 2.82Å; P865-A919 HydrophobicContact CG-CB 3.53Å; P865-L920 HydrophobicContact CB-CD2 3.67Å; P865-L920 HydrophobicContact CB-CG 4.19Å; P865-L920 HydrophobicContact CG-CD2 3.97Å; P865-L920 HydrophobicContact CG-CG 4.01Å; P865-L923 HydrophobicContact CB-CD1 4.19Å; P865-L923 HydrophobicContact CG-CD1 3.97Å; P865-L923 WeakPolarHBondContact O-CD1 3.36Å |
| 866 | P | 93.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.5 | 167.6 | 31.3 | -33.8 | 0 | 0 | 0 | 109.4 | K829 F831 N832 P868 | K829-P866 WeakPolarHBondContact O-CB 3.4Å; F831-P866 WeakPolarHBondContact O-CD 3.45Å; N832-P866 HydrophobicContact CB-CG 4.01Å; P866-P868 VanDerWaalsContact O-CD 3.31Å; P866-P868 WeakPolarHBondContact O-CD 3.4Å; P866-P868 VanDerWaalsContact O-N 3.13Å |
| 867 | P | 89.8 | Confident | 93 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 118.3 | 174 | -22.8 | 34 | 0 | 0 | 0 | 110.3 | ||
| 868 | P | 88.8 | Confident | 93.3 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 8% | 0.078 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 151.4 | -178.9 | 29.4 | -35.4 | 0 | 0 | 0 | 110.7 | P866 Q927 | P866-P868 VanDerWaalsContact O-CD 3.31Å; P866-P868 WeakPolarHBondContact O-CD 3.4Å; P866-P868 VanDerWaalsContact O-N 3.13Å; P868-Q927 PolarHBondContact O-NE2 3.35Å |
| 869 | P | 94.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 164 | 167.9 | -24.5 | 33.9 | 0 | 0 | 0 | 112.5 | R754 Y755 V762 | R754-P869 HydrophobicContact CB-CB 4.33Å; R754-P869 HydrophobicContact CB-CG 4.45Å; R754-P869 WeakPolarHBondContact CD-O 3.21Å; R754-P869 PolarHBondContact NH1-O 3.23Å; Y755-P869 HydrophobicContact CD2-CG 4.03Å; Y755-P869 HydrophobicContact CE1-CG 4.07Å; Y755-P869 VanDerWaalsContact CE2-CD 3.46Å; Y755-P869 HydrophobicContact CE2-CG 3.53Å; Y755-P869 HydrophobicContact CG-CG 4.49Å; V762-P869 HydrophobicContact CG1-CB 3.85Å; V762-P869 HydrophobicContact CG1-CG 3.77Å |
| 870 | E | 94.4 | Very high | 94 | Very high | 96 Ų | 96 | 40.8 Ų | 40.8 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 142.7 | 169.5 | -67.3 | -178.1 | 163 | 0 | 0 | 110.5 | G760 N761 K931 | G760-E870 CarbonylContact C-O 3.59Å; G760-E870 VanDerWaalsContact CA-O 3.25Å; G760-E870 WeakPolarHBondContact CA-O 3.43Å; N761-E870 PolarHBondContact N-O 3.32Å; E870-K931 IonicContact OE1-NZ 3.37Å; E870-K931 PolarHBondContact OE1-NZ 3.06Å |
| 871 | F | 96.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -68.8 | 145 | 166.9 | -80.9 | -69.7 | 0 | 0 | 0 | 110.3 | R754 V759 F875 V878 I879 | R754-F871 HydrophobicContact CG-CD1 4.07Å; R754-F871 HydrophobicContact CG-CE1 3.67Å; R754-F871 HydrophobicContact CG-CE2 4.24Å; R754-F871 HydrophobicContact CG-CZ 3.75Å; V759-F871 HydrophobicContact CG1-CD1 4.15Å; V759-F871 HydrophobicContact CG1-CE1 4.04Å; F871-F875 HydrophobicContact CB-CB 4.15Å; F871-F875 HydrophobicContact CD1-CB 3.56Å; F871-F875 HydrophobicContact CE1-CB 4.25Å; F871-F875 HydrophobicContact CG-CB 4.14Å; F871-V878 HydrophobicContact CE1-CB 4.25Å; F871-V878 HydrophobicContact CE1-CG1 4.4Å; F871-V878 HydrophobicContact CE1-CG2 4.46Å; F871-V878 HydrophobicContact CE2-CB 3.91Å; F871-V878 HydrophobicContact CE2-CG1 4.13Å; F871-V878 HydrophobicContact CZ-CB 3.74Å; F871-V878 HydrophobicContact CZ-CG1 3.67Å; F871-V878 HydrophobicContact CZ-CG2 4.41Å; F871-I879 HydrophobicContact CD2-CG2 3.79Å; F871-I879 HydrophobicContact CE2-CG2 3.74Å |
| 872 | C | 96.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 155.1 | 164.1 | -69.7 | 0 | 0 | 0 | 0 | 110.2 | G758 V759 G760 A874 F875 S876 | G758-C872 WeakPolarHBondContact O-CB 3.45Å; V759-C872 PolarHBondContact O-N 2.97Å; G760-C872 PolarHBondContact O-SG 3.45Å; G760-C872 VanDerWaalsContact O-SG 3.39Å; C872-A874 VanDerWaalsContact C-N 3.26Å; C872-A874 PolarHBondContact O-N 3.49Å; C872-F875 PolarHBondContact O-N 2.95Å; C872-S876 PolarHBondContact O-N 3.17Å |
| 873 | P | 95.4 | Very high | 94.8 | Very high | 115 Ų | 115 | 35.2 Ų | 35.2 | 75% | 0.747 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -51.7 | -38.7 | -173.4 | -30.9 | 36.5 | 0 | 0 | 0 | 115.1 | F875 S876 | P873-F875 VanDerWaalsContact C-N 3.27Å; P873-F875 PolarHBondContact O-N 3.27Å; P873-S876 WeakPolarHBondContact O-CB 3.41Å; P873-S876 PolarHBondContact O-N 3.43Å; P873-S876 PolarHBondContact O-OG 3.02Å |
| 874 | A | 95.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -64.7 | -26.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V628 S700 C872 | V628-A874 HydrophobicContact CB-CB 4.28Å; V628-A874 HydrophobicContact CG1-CB 4.15Å; V628-A874 HydrophobicContact CG2-CB 4.02Å; S700-A874 WeakPolarHBondContact CB-O 3.43Å; S700-A874 PolarHBondContact OG-O 2.97Å; C872-A874 VanDerWaalsContact C-N 3.26Å; C872-A874 PolarHBondContact O-N 3.49Å |
| 875 | F | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -105 | -4.7 | -178.9 | -68.7 | -91.3 | 0 | 0 | 0 | 113.4 | H619 V620 Q696 I697 G758 V759 F871 C872 P873 K877 V878 | H619-F875 AromaticContact CD2-CZ 3.91Å; V620-F875 HydrophobicContact CG2-CZ 4.32Å; Q696-F875 HydrophobicContact CB-CD1 3.91Å; Q696-F875 HydrophobicContact CB-CE1 3.86Å; I697-F875 HydrophobicContact CG1-CE1 3.64Å; I697-F875 HydrophobicContact CG1-CZ 3.74Å; G758-F875 WeakPolarHBondContact O-CD2 3.36Å; G758-F875 VanDerWaalsContact O-CE2 3.32Å; G758-F875 WeakPolarHBondContact O-CE2 3.48Å; V759-F875 HydrophobicContact CB-CD2 4.49Å; V759-F875 HydrophobicContact CG1-CD1 4.1Å; V759-F875 HydrophobicContact CG1-CE1 4.38Å; V759-F875 HydrophobicContact CG1-CG 4.16Å; V759-F875 HydrophobicContact CG2-CE1 4.27Å; V759-F875 HydrophobicContact CG2-CE2 4.19Å; V759-F875 HydrophobicContact CG2-CZ 3.98Å; F871-F875 HydrophobicContact CB-CB 4.15Å; F871-F875 HydrophobicContact CD1-CB 3.56Å; F871-F875 HydrophobicContact CE1-CB 4.25Å; F871-F875 HydrophobicContact CG-CB 4.14Å; C872-F875 PolarHBondContact O-N 2.95Å; P873-F875 VanDerWaalsContact C-N 3.27Å; P873-F875 PolarHBondContact O-N 3.27Å; F875-K877 PolarHBondContact O-N 2.95Å; F875-V878 HydrophobicContact CB-CG2 4.46Å; F875-V878 HydrophobicContact CD1-CG2 4.46Å; F875-V878 WeakPolarHBondContact O-CB 3.44Å; F875-V878 VanDerWaalsContact O-CG2 3.25Å; F875-V878 WeakPolarHBondContact O-CG2 3.35Å; F875-V878 PolarHBondContact O-N 2.95Å |
| 876 | S | 94.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 36 Ų | 36 | 39% | 0.392 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -47.8 | -35.1 | -178.4 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | C872 P873 V878 I879 | C872-S876 PolarHBondContact O-N 3.17Å; P873-S876 WeakPolarHBondContact O-CB 3.41Å; P873-S876 PolarHBondContact O-N 3.43Å; P873-S876 PolarHBondContact O-OG 3.02Å; S876-V878 VanDerWaalsContact C-N 3.31Å; S876-V878 PolarHBondContact O-N 3.26Å; S876-I879 WeakPolarHBondContact O-CG1 3.42Å |
| 877 | K | 96.3 | Very high | 95.2 | Very high | 128 Ų | 128 | 35.4 Ų | 35.4 | 56% | 0.557 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -72.2 | -13.6 | -179 | -70.9 | 177.8 | 178.5 | 177.1 | 0 | 115.2 | S700 F875 I879 N880 | S700-K877 WeakPolarHBondContact O-CB 3.48Å; S700-K877 VanDerWaalsContact O-CD 3.3Å; S700-K877 WeakPolarHBondContact O-CD 3.38Å; F875-K877 PolarHBondContact O-N 2.95Å; K877-I879 PolarHBondContact O-N 3.27Å; K877-N880 VanDerWaalsContact O-CB 3.24Å; K877-N880 WeakPolarHBondContact O-CB 3.4Å; K877-N880 PolarHBondContact O-N 3.39Å; K877-N880 PolarHBondContact O-ND2 3.48Å |
| 878 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -58.3 | -32.4 | -179.4 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | Q696 A699 I750 V751 F871 F875 S876 N880 L881 | Q696-V878 HydrophobicContact CB-CG2 4.46Å; Q696-V878 VanDerWaalsContact O-CG2 3.3Å; Q696-V878 WeakPolarHBondContact O-CG2 3.36Å; A699-V878 HydrophobicContact CB-CG1 4.25Å; A699-V878 HydrophobicContact CB-CG2 4.09Å; I750-V878 HydrophobicContact CG2-CG1 3.92Å; I750-V878 WeakPolarHBondContact O-CG1 3.39Å; V751-V878 HydrophobicContact CG2-CG1 4.26Å; F871-V878 HydrophobicContact CE1-CB 4.25Å; F871-V878 HydrophobicContact CE1-CG1 4.4Å; F871-V878 HydrophobicContact CE1-CG2 4.46Å; F871-V878 HydrophobicContact CE2-CB 3.91Å; F871-V878 HydrophobicContact CE2-CG1 4.13Å; F871-V878 HydrophobicContact CZ-CB 3.74Å; F871-V878 HydrophobicContact CZ-CG1 3.67Å; F871-V878 HydrophobicContact CZ-CG2 4.41Å; F875-V878 HydrophobicContact CB-CG2 4.46Å; F875-V878 HydrophobicContact CD1-CG2 4.46Å; F875-V878 WeakPolarHBondContact O-CB 3.44Å; F875-V878 VanDerWaalsContact O-CG2 3.25Å; F875-V878 WeakPolarHBondContact O-CG2 3.35Å; F875-V878 PolarHBondContact O-N 2.95Å; S876-V878 VanDerWaalsContact C-N 3.31Å; S876-V878 PolarHBondContact O-N 3.26Å; V878-N880 PolarHBondContact O-N 3.19Å; V878-N880 VanDerWaalsContact O-N 3.08Å; V878-L881 WeakPolarHBondContact O-CB 3.43Å; V878-L881 WeakPolarHBondContact O-CG 3.34Å; V878-L881 PolarHBondContact O-N 3.21Å; V878-L881 VanDerWaalsContact O-N 3.09Å |
| 879 | I | 96.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -58 | -25.2 | 177.3 | 69.9 | -177.6 | 0 | 0 | 0 | 113 | F871 S876 K877 L881 L882 E924 F939 | F871-I879 HydrophobicContact CD2-CG2 3.79Å; F871-I879 HydrophobicContact CE2-CG2 3.74Å; S876-I879 WeakPolarHBondContact O-CG1 3.42Å; K877-I879 PolarHBondContact O-N 3.27Å; I879-L881 PolarHBondContact O-N 2.89Å; I879-L881 VanDerWaalsContact O-N 3.14Å; I879-L882 WeakPolarHBondContact O-CB 3.39Å; I879-L882 PolarHBondContact O-N 2.83Å; I879-E924 HydrophobicContact CB-CG 4.31Å; I879-E924 HydrophobicContact CD1-CG 4.44Å; I879-E924 HydrophobicContact CG2-CG 4.16Å; I879-F939 HydrophobicContact CB-CE2 4.18Å; I879-F939 HydrophobicContact CD1-CD2 4.11Å; I879-F939 HydrophobicContact CD1-CE2 4.35Å; I879-F939 HydrophobicContact CG1-CD2 4.21Å; I879-F939 HydrophobicContact CG1-CE2 4.07Å; I879-F939 WeakPolarHBondContact O-CE2 3.21Å |
| 880 | N | 96.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 32.8 Ų | 32.8 | 35% | 0.353 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -63.9 | -19.2 | 179.7 | -63.7 | -42.7 | 0 | 0 | 0 | 112.8 | P704 K877 V878 L882 N883 C884 | P704-N880 HydrophobicContact CB-CB 4.37Å; P704-N880 HydrophobicContact CG-CB 4.21Å; K877-N880 VanDerWaalsContact O-CB 3.24Å; K877-N880 WeakPolarHBondContact O-CB 3.4Å; K877-N880 PolarHBondContact O-N 3.39Å; K877-N880 PolarHBondContact O-ND2 3.48Å; V878-N880 PolarHBondContact O-N 3.19Å; V878-N880 VanDerWaalsContact O-N 3.08Å; N880-L882 VanDerWaalsContact C-N 3.28Å; N880-L882 PolarHBondContact O-N 3.21Å; N880-N883 CarbonylContact O-C 3.5Å; N880-N883 PolarHBondContact O-N 3.46Å; N880-C884 PolarHBondContact O-N 2.84Å; N880-C884 VanDerWaalsContact O-N 3.15Å |
| 881 | L | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -59.6 | -36.8 | 169.4 | -68.7 | -175.8 | 0 | 0 | 0 | 112.4 | A699 P704 F707 L708 I750 V751 V878 I879 N883 C884 M887 | A699-L881 HydrophobicContact CB-CD1 3.58Å; A699-L881 HydrophobicContact CB-CD2 4.42Å; A699-L881 HydrophobicContact CB-CG 4.07Å; P704-L881 HydrophobicContact CB-CD2 3.81Å; F707-L881 HydrophobicContact CB-CD2 4.22Å; F707-L881 HydrophobicContact CD1-CD1 4.07Å; F707-L881 HydrophobicContact CD1-CD2 3.58Å; F707-L881 HydrophobicContact CD1-CG 4.49Å; F707-L881 HydrophobicContact CE1-CD1 3.98Å; F707-L881 HydrophobicContact CE1-CD2 4.33Å; F707-L881 HydrophobicContact CG-CD2 4.18Å; L708-L881 HydrophobicContact CD2-CD2 4.18Å; L708-L881 HydrophobicContact CG-CD2 4.17Å; I750-L881 HydrophobicContact CG2-CD1 3.72Å; V751-L881 HydrophobicContact CG2-CB 4.23Å; V751-L881 HydrophobicContact CG2-CD1 4.22Å; V878-L881 WeakPolarHBondContact O-CB 3.43Å; V878-L881 WeakPolarHBondContact O-CG 3.34Å; V878-L881 PolarHBondContact O-N 3.21Å; V878-L881 VanDerWaalsContact O-N 3.09Å; I879-L881 PolarHBondContact O-N 2.89Å; I879-L881 VanDerWaalsContact O-N 3.14Å; L881-N883 PolarHBondContact O-N 2.87Å; L881-C884 PolarHBondContact O-SG 2.94Å; L881-M887 WeakPolarHBondContact O-CB 3.15Å; L881-M887 WeakPolarHBondContact O-CE 3.46Å; L881-M887 WeakPolarHBondContact O-CG 3.24Å |
| 882 | L | 96.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.8 | 177.5 | -62.1 | 176.8 | 0 | 0 | 0 | 111.5 | V751 I879 N880 M887 I917 L920 F939 F941 | V751-L882 HydrophobicContact CB-CD2 4.42Å; V751-L882 HydrophobicContact CG1-CD1 3.68Å; V751-L882 HydrophobicContact CG1-CD2 3.99Å; V751-L882 HydrophobicContact CG1-CG 3.77Å; V751-L882 HydrophobicContact CG2-CD2 4.27Å; V751-L882 HydrophobicContact CG2-CG 4.42Å; I879-L882 WeakPolarHBondContact O-CB 3.39Å; I879-L882 PolarHBondContact O-N 2.83Å; N880-L882 VanDerWaalsContact C-N 3.28Å; N880-L882 PolarHBondContact O-N 3.21Å; L882-M887 WeakPolarHBondContact O-CG 3.43Å; L882-I917 HydrophobicContact CD2-CG2 3.84Å; L882-L920 HydrophobicContact CD1-CB 4.35Å; L882-F939 HydrophobicContact CB-CZ 4.18Å; L882-F939 HydrophobicContact CD1-CZ 4.43Å; L882-F941 HydrophobicContact CB-CD2 4.14Å; L882-F941 HydrophobicContact CB-CE2 4.17Å; L882-F941 WeakPolarHBondContact O-CD2 3.35Å; L882-F941 VanDerWaalsContact O-CE2 3.23Å; L882-F941 WeakPolarHBondContact O-CE2 3.3Å |
| 883 | N | 93.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 15.6 | -170.7 | -163.8 | 30.5 | 0 | 0 | 0 | 113.6 | N880 L881 F939 D940 F941 K944 | N880-N883 CarbonylContact O-C 3.5Å; N880-N883 PolarHBondContact O-N 3.46Å; L881-N883 PolarHBondContact O-N 2.87Å; N883-F939 HydrophobicContact CB-CD2 4.22Å; N883-F939 HydrophobicContact CB-CE2 3.67Å; N883-F939 HydrophobicContact CB-CZ 4.14Å; N883-D940 PolarHBondContact ND2-N 2.63Å; N883-D940 PolarHBondContact ND2-OD1 3.21Å; N883-F941 WeakPolarHBondContact OD1-CA 3.37Å; N883-K944 WeakPolarHBondContact O-CD 3.36Å; N883-K944 WeakPolarHBondContact O-CE 3.41Å; N883-K944 PolarHBondContact O-NZ 3.11Å; N883-K944 WeakPolarHBondContact OD1-CD 3.45Å; N883-K944 WeakPolarHBondContact OD1-CE 3.36Å; N883-K944 WeakPolarHBondContact OD1-CG 3.39Å |
| 884 | C | 95.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -89.1 | 162.8 | 176 | 80.8 | 0 | 0 | 0 | 0 | 112.3 | P704 N705 L708 N880 L881 I886 M887 M888 | P704-C884 HydrophobicContact CB-CB 3.82Å; P704-C884 HydrophobicContact CG-CB 3.9Å; N705-C884 WeakPolarHBondContact OD1-CB 3.46Å; L708-C884 WeakPolarHBondContact CD1-SG 3.39Å; N880-C884 PolarHBondContact O-N 2.84Å; N880-C884 VanDerWaalsContact O-N 3.15Å; L881-C884 PolarHBondContact O-SG 2.94Å; C884-I886 VanDerWaalsContact C-N 3.35Å; C884-I886 PolarHBondContact O-N 3.04Å; C884-M887 PolarHBondContact O-N 3.15Å; C884-M887 PolarHBondContact SG-N 3.08Å; C884-M888 WeakPolarHBondContact O-CG 3.39Å; C884-M888 PolarHBondContact O-N 3.33Å |
| 885 | D | 94.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 21.5 Ų | 21.5 | 32% | 0.321 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -71.4 | -34.9 | -171.5 | -52.4 | -37.6 | 0 | 0 | 0 | 111 | H591 N705 M888 Y889 K944 | H591-D885 IonicContact CD2-OD2 2.92Å; H591-D885 IonicContact CE1-OD2 3.95Å; H591-D885 IonicContact NE2-OD2 2.63Å; H591-D885 PolarHBondContact NE2-OD2 2.96Å; N705-D885 PolarHBondContact OD1-N 3.16Å; D885-M888 PolarHBondContact O-N 3.05Å; D885-Y889 WeakPolarHBondContact O-CB 3.39Å; D885-Y889 PolarHBondContact O-N 3.31Å; D885-K944 IonicContact OD1-NZ 3.4Å |
| 886 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 175 | -59.2 | -64.3 | 0 | 0 | 0 | 111.5 | C589 N705 L708 L709 L712 C884 Y889 I890 | C589-I886 HydrophobicContact CB-CD1 3.93Å; N705-I886 HydrophobicContact CB-CG1 3.83Å; N705-I886 PolarHBondContact OD1-N 2.77Å; L708-I886 HydrophobicContact CB-CB 4.11Å; L708-I886 HydrophobicContact CB-CG2 3.57Å; L708-I886 HydrophobicContact CD1-CB 4.25Å; L708-I886 HydrophobicContact CD1-CG2 4.14Å; L709-I886 HydrophobicContact CD2-CD1 3.81Å; L709-I886 HydrophobicContact CD2-CG1 4.35Å; L709-I886 HydrophobicContact CG-CD1 4.2Å; L709-I886 HydrophobicContact CG-CG1 4.27Å; L712-I886 HydrophobicContact CD1-CG2 3.8Å; C884-I886 VanDerWaalsContact C-N 3.35Å; C884-I886 PolarHBondContact O-N 3.04Å; I886-Y889 PolarHBondContact O-N 3.4Å; I886-I890 HydrophobicContact CG2-CD1 4Å; I886-I890 HydrophobicContact CG2-CG1 4.48Å; I886-I890 VanDerWaalsContact O-CG1 3.3Å; I886-I890 WeakPolarHBondContact O-CG1 3.27Å; I886-I890 PolarHBondContact O-N 2.89Å |
| 887 | M | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 175 | 179.5 | 62.7 | 77.6 | 0 | 0 | 111.4 | L708 L747 L881 L882 C884 Y889 I890 L891 I917 | L708-M887 HydrophobicContact CD1-CB 3.77Å; L708-M887 HydrophobicContact CD1-CE 4.06Å; L747-M887 HydrophobicContact CD1-CE 4.12Å; L881-M887 WeakPolarHBondContact O-CB 3.15Å; L881-M887 WeakPolarHBondContact O-CE 3.46Å; L881-M887 WeakPolarHBondContact O-CG 3.24Å; L882-M887 WeakPolarHBondContact O-CG 3.43Å; C884-M887 PolarHBondContact O-N 3.15Å; C884-M887 PolarHBondContact SG-N 3.08Å; M887-Y889 PolarHBondContact O-N 3.15Å; M887-I890 PolarHBondContact O-N 2.98Å; M887-L891 HydrophobicContact CG-CD1 3.9Å; M887-L891 HydrophobicContact CG-CG 4.48Å; M887-L891 WeakPolarHBondContact O-CG 3.34Å; M887-L891 PolarHBondContact O-N 3.3Å; M887-L891 HydrophobicContact SD-CD1 4.09Å; M887-L891 HydrophobicContact SD-CG 4.2Å; M887-I917 HydrophobicContact CE-CG2 4.33Å; M887-I917 HydrophobicContact SD-CG2 3.83Å |
| 888 | M | 94.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 17 Ų | 17 | 4% | 0.044 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 176.8 | -68.7 | -72.5 | 160.9 | 0 | 0 | 111.8 | C884 D885 R892 F941 K944 A945 I955 | C884-M888 WeakPolarHBondContact O-CG 3.39Å; C884-M888 PolarHBondContact O-N 3.33Å; D885-M888 PolarHBondContact O-N 3.05Å; M888-R892 WeakPolarHBondContact O-CB 3.27Å; M888-R892 VanDerWaalsContact O-CD 3.27Å; M888-R892 WeakPolarHBondContact O-CD 3.39Å; M888-R892 WeakPolarHBondContact O-CG 3.35Å; M888-R892 PolarHBondContact O-N 2.87Å; M888-R892 VanDerWaalsContact O-N 3.08Å; M888-F941 HydrophobicContact CE-CD2 3.46Å; M888-F941 VanDerWaalsContact CE-CD2 3.46Å; M888-F941 HydrophobicContact CE-CE2 3.4Å; M888-F941 HydrophobicContact CE-CG 4.17Å; M888-F941 HydrophobicContact CE-CZ 4.05Å; M888-K944 HydrophobicContact CE-CB 3.8Å; M888-K944 HydrophobicContact CG-CB 4.26Å; M888-K944 HydrophobicContact SD-CB 4.08Å; M888-A945 HydrophobicContact CE-CB 4.41Å; M888-A945 HydrophobicContact SD-CB 4.23Å; M888-I955 HydrophobicContact SD-CD1 4.03Å |
| 889 | Y | 93.5 | Very high | 93.7 | Very high | 50 Ų | 50 | 19.2 Ų | 19.2 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.8 | -44.8 | 174.7 | 171.9 | -117.8 | 0 | 0 | 0 | 112.9 | S588 C589 F721 D885 I886 M887 L891 T893 | S588-Y889 WeakPolarHBondContact OG-CE1 3.48Å; C589-Y889 WeakPolarHBondContact SG-CB 3.47Å; F721-Y889 VanDerWaalsContact C-OH 3.24Å; F721-Y889 HydrophobicContact CB-CE1 4.03Å; F721-Y889 PolarHBondContact O-OH 3.22Å; D885-Y889 WeakPolarHBondContact O-CB 3.39Å; D885-Y889 PolarHBondContact O-N 3.31Å; I886-Y889 PolarHBondContact O-N 3.4Å; M887-Y889 PolarHBondContact O-N 3.15Å; Y889-L891 PolarHBondContact O-N 2.83Å; Y889-T893 WeakPolarHBondContact CE2-OG1 3.33Å; Y889-T893 VanDerWaalsContact O-CB 3.28Å; Y889-T893 WeakPolarHBondContact O-CB 3.47Å; Y889-T893 PolarHBondContact O-N 3.46Å; Y889-T893 PolarHBondContact O-OG1 2.69Å |
| 890 | I | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -51.9 | 175.3 | -70.9 | 163.8 | 0 | 0 | 0 | 109.9 | L708 L712 F721 M743 L744 I886 M887 T893 V894 | L708-I890 HydrophobicContact CD1-CD1 4.47Å; L712-I890 HydrophobicContact CD1-CD1 4.11Å; L712-I890 HydrophobicContact CD1-CG1 4.42Å; L712-I890 HydrophobicContact CD2-CD1 4.28Å; L712-I890 HydrophobicContact CD2-CG1 4.48Å; L712-I890 HydrophobicContact CG-CD1 4.31Å; F721-I890 HydrophobicContact CD1-CG1 4.44Å; F721-I890 HydrophobicContact CE1-CB 4.22Å; F721-I890 HydrophobicContact CE1-CG1 4.22Å; F721-I890 HydrophobicContact CE1-CG2 3.97Å; F721-I890 HydrophobicContact CZ-CG2 4.07Å; M743-I890 HydrophobicContact CE-CD1 4.49Å; M743-I890 HydrophobicContact CE-CG2 4.4Å; L744-I890 HydrophobicContact CD2-CG2 3.93Å; I886-I890 HydrophobicContact CG2-CD1 4Å; I886-I890 HydrophobicContact CG2-CG1 4.48Å; I886-I890 VanDerWaalsContact O-CG1 3.3Å; I886-I890 WeakPolarHBondContact O-CG1 3.27Å; I886-I890 PolarHBondContact O-N 2.89Å; M887-I890 PolarHBondContact O-N 2.98Å; I890-T893 PolarHBondContact O-N 3.45Å; I890-V894 WeakPolarHBondContact O-CG2 3.48Å; I890-V894 PolarHBondContact O-N 3.43Å |
| 891 | L | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | -177.5 | -68.9 | 168.3 | 0 | 0 | 0 | 112 | M887 Y889 T893 V894 F895 A914 I917 L918 I955 | M887-L891 HydrophobicContact CG-CD1 3.9Å; M887-L891 HydrophobicContact CG-CG 4.48Å; M887-L891 WeakPolarHBondContact O-CG 3.34Å; M887-L891 PolarHBondContact O-N 3.3Å; M887-L891 HydrophobicContact SD-CD1 4.09Å; M887-L891 HydrophobicContact SD-CG 4.2Å; Y889-L891 PolarHBondContact O-N 2.83Å; L891-T893 VanDerWaalsContact C-N 3.34Å; L891-T893 PolarHBondContact O-N 2.75Å; L891-V894 PolarHBondContact O-N 2.91Å; L891-F895 HydrophobicContact CB-CE2 4.06Å; L891-F895 WeakPolarHBondContact O-CD2 3.29Å; L891-F895 WeakPolarHBondContact O-CG 3.22Å; L891-F895 PolarHBondContact O-N 2.78Å; L891-F895 VanDerWaalsContact O-N 3.08Å; L891-A914 HydrophobicContact CD2-CB 3.83Å; L891-I917 HydrophobicContact CD1-CG2 4.1Å; L891-I917 HydrophobicContact CD2-CB 4.19Å; L891-I917 HydrophobicContact CD2-CG2 4.09Å; L891-L918 HydrophobicContact CD1-CD2 3.93Å; L891-I955 HydrophobicContact CB-CD1 4.32Å |
| 892 | R | 92.8 | Very high | 90.6 | Very high | 24 Ų | 24 | 31 Ų | 31 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 175.2 | -72.1 | 164.4 | -166.9 | -96.1 | 1.6 | 111.5 | M888 V894 F895 E896 K944 A945 R947 G949 M953 I955 L958 | M888-R892 WeakPolarHBondContact O-CB 3.27Å; M888-R892 VanDerWaalsContact O-CD 3.27Å; M888-R892 WeakPolarHBondContact O-CD 3.39Å; M888-R892 WeakPolarHBondContact O-CG 3.35Å; M888-R892 PolarHBondContact O-N 2.87Å; M888-R892 VanDerWaalsContact O-N 3.08Å; R892-V894 VanDerWaalsContact C-N 3.33Å; R892-V894 PolarHBondContact O-N 2.94Å; R892-F895 PolarHBondContact O-N 2.76Å; R892-E896 WeakPolarHBondContact O-CB 3.3Å; R892-E896 VanDerWaalsContact O-CG 3.29Å; R892-E896 WeakPolarHBondContact O-CG 3.33Å; R892-E896 PolarHBondContact O-N 2.68Å; R892-K944 PolarHBondContact NH2-O 3.27Å; R892-A945 PolarHBondContact NH2-O 3.43Å; R892-R947 VanDerWaalsContact CZ-O 3.26Å; R892-R947 PolarHBondContact NH1-O 3.32Å; R892-R947 PolarHBondContact NH2-O 3.06Å; R892-G949 VanDerWaalsContact NH1-N 3.14Å; R892-M953 PolarHBondContact NH1-O 3.35Å; R892-I955 HydrophobicContact CG-CD1 4.17Å; R892-I955 HydrophobicContact CG-CG1 3.79Å; R892-L958 HydrophobicContact CG-CD1 4.46Å |
| 893 | T | 91.6 | Very high | 89.8 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | -179.2 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | F721 Y889 I890 L891 R897 | F721-T893 HydrophobicContact CD1-CG2 3.61Å; F721-T893 HydrophobicContact CE1-CG2 3.95Å; Y889-T893 WeakPolarHBondContact CE2-OG1 3.33Å; Y889-T893 VanDerWaalsContact O-CB 3.28Å; Y889-T893 WeakPolarHBondContact O-CB 3.47Å; Y889-T893 PolarHBondContact O-N 3.46Å; Y889-T893 PolarHBondContact O-OG1 2.69Å; I890-T893 PolarHBondContact O-N 3.45Å; L891-T893 VanDerWaalsContact C-N 3.34Å; L891-T893 PolarHBondContact O-N 2.75Å; T893-R897 VanDerWaalsContact O-CG 3.25Å; T893-R897 WeakPolarHBondContact O-CG 3.38Å; T893-R897 PolarHBondContact O-N 3.4Å; T893-R897 VanDerWaalsContact O-N 3.11Å |
| 894 | V | 93 | Very high | 89.2 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | F721 I890 L891 R892 A898 M910 L911 A914 | F721-V894 HydrophobicContact CE1-CG2 4.27Å; F721-V894 HydrophobicContact CZ-CG2 4.36Å; I890-V894 WeakPolarHBondContact O-CG2 3.48Å; I890-V894 PolarHBondContact O-N 3.43Å; L891-V894 PolarHBondContact O-N 2.91Å; R892-V894 VanDerWaalsContact C-N 3.33Å; R892-V894 PolarHBondContact O-N 2.94Å; V894-A898 PolarHBondContact O-N 3.07Å; V894-M910 HydrophobicContact CG1-CB 4.16Å; V894-L911 HydrophobicContact CG1-CD2 4.06Å; V894-A914 HydrophobicContact CG1-CB 4.19Å |
| 895 | F | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -37.5 | 178.5 | -61.2 | -42.4 | 0 | 0 | 0 | 113.3 | L891 R892 A898 I899 L911 A914 F915 L918 I955 L958 L962 | L891-F895 HydrophobicContact CB-CE2 4.06Å; L891-F895 WeakPolarHBondContact O-CD2 3.29Å; L891-F895 WeakPolarHBondContact O-CG 3.22Å; L891-F895 PolarHBondContact O-N 2.78Å; L891-F895 VanDerWaalsContact O-N 3.08Å; R892-F895 PolarHBondContact O-N 2.76Å; F895-A898 PolarHBondContact O-N 3.04Å; F895-I899 WeakPolarHBondContact O-CG1 3.32Å; F895-I899 PolarHBondContact O-N 3.48Å; F895-L911 HydrophobicContact CD1-CD2 3.68Å; F895-L911 HydrophobicContact CE1-CD2 4.08Å; F895-A914 HydrophobicContact CE1-CB 3.62Å; F895-A914 HydrophobicContact CZ-CB 3.6Å; F895-F915 HydrophobicContact CD1-CE1 4.05Å; F895-F915 AromaticContact CE1-CD1 3.58Å; F895-F915 HydrophobicContact CE1-CD1 3.58Å; F895-F915 AromaticContact CE1-CE1 3.43Å; F895-F915 HydrophobicContact CE1-CE1 3.43Å; F895-F915 VanDerWaalsContact CE1-CE1 3.43Å; F895-F915 HydrophobicContact CE1-CZ 4.49Å; F895-F915 AromaticContact CZ-CD1 3.97Å; F895-F915 HydrophobicContact CZ-CD1 3.97Å; F895-F915 HydrophobicContact CZ-CE1 4.18Å; F895-L918 HydrophobicContact CE2-CD1 3.58Å; F895-L918 HydrophobicContact CE2-CD2 4.46Å; F895-L918 HydrophobicContact CE2-CG 4.12Å; F895-L918 HydrophobicContact CZ-CD1 3.51Å; F895-L918 HydrophobicContact CZ-CG 4.06Å; F895-I955 HydrophobicContact CD2-CG2 4.26Å; F895-I955 HydrophobicContact CE2-CG2 4.03Å; F895-L958 HydrophobicContact CB-CB 4.15Å; F895-L958 HydrophobicContact CB-CD1 4.15Å; F895-L962 HydrophobicContact CB-CD1 3.95Å; F895-L962 HydrophobicContact CD1-CD1 3.57Å; F895-L962 HydrophobicContact CE1-CD1 4.42Å; F895-L962 HydrophobicContact CG-CD1 3.99Å |
| 896 | E | 90.4 | Very high | 88.5 | Confident | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.4 | -75.3 | 170.9 | -177.7 | 0 | 0 | 111.5 | R892 A898 I899 D900 S951 L958 | R892-E896 WeakPolarHBondContact O-CB 3.3Å; R892-E896 VanDerWaalsContact O-CG 3.29Å; R892-E896 WeakPolarHBondContact O-CG 3.33Å; R892-E896 PolarHBondContact O-N 2.68Å; E896-A898 VanDerWaalsContact C-N 3.27Å; E896-A898 PolarHBondContact O-N 3.14Å; E896-I899 PolarHBondContact O-N 2.87Å; E896-D900 PolarHBondContact O-N 3.43Å; E896-S951 WeakPolarHBondContact OE1-CB 3.29Å; E896-S951 PolarHBondContact OE1-OG 2.94Å; E896-L958 HydrophobicContact CG-CD1 4.07Å; E896-L958 HydrophobicContact CG-CD2 3.85Å |
| 897 | R | 89.2 | Confident | 88.4 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -32.1 | 175.1 | -75 | 170.5 | -169.4 | -167.8 | 1.5 | 113.9 | A720 T893 S903 L905 W906 | A720-R897 PolarHBondContact O-NH2 3.39Å; T893-R897 VanDerWaalsContact O-CG 3.25Å; T893-R897 WeakPolarHBondContact O-CG 3.38Å; T893-R897 PolarHBondContact O-N 3.4Å; T893-R897 VanDerWaalsContact O-N 3.11Å; R897-S903 WeakPolarHBondContact O-CB 3.44Å; R897-S903 PolarHBondContact O-OG 3.24Å; R897-L905 WeakPolarHBondContact CD-O 3.33Å; R897-W906 HydrophobicContact CB-CB 4.31Å |
| 898 | A | 89.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81.9 | -15.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V894 F895 E896 W906 L911 L962 I965 | V894-A898 PolarHBondContact O-N 3.07Å; F895-A898 PolarHBondContact O-N 3.04Å; E896-A898 VanDerWaalsContact C-N 3.27Å; E896-A898 PolarHBondContact O-N 3.14Å; A898-W906 HydrophobicContact CB-CB 4.45Å; A898-W906 HydrophobicContact CB-CD2 3.78Å; A898-W906 HydrophobicContact CB-CE3 4Å; A898-W906 HydrophobicContact CB-CG 3.98Å; A898-L911 HydrophobicContact CB-CD1 3.75Å; A898-L911 HydrophobicContact CB-CD2 3.78Å; A898-L911 HydrophobicContact CB-CG 4.24Å; A898-L962 HydrophobicContact CB-CD2 3.74Å; A898-I965 WeakPolarHBondContact O-CD1 3.43Å |
| 899 | I | 87.8 | Confident | 88.1 | Confident | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -82.7 | -29.1 | 172 | -68.3 | 166.4 | 0 | 0 | 0 | 111 | F895 E896 T901 L958 K961 L962 | F895-I899 WeakPolarHBondContact O-CG1 3.32Å; F895-I899 PolarHBondContact O-N 3.48Å; E896-I899 PolarHBondContact O-N 2.87Å; I899-T901 PolarHBondContact O-N 3.44Å; I899-L958 HydrophobicContact CD1-CB 4.14Å; I899-L958 HydrophobicContact CD1-CD2 3.44Å; I899-L958 VanDerWaalsContact CD1-CD2 3.44Å; I899-L958 HydrophobicContact CD1-CG 4.4Å; I899-K961 HydrophobicContact CD1-CB 3.91Å; I899-K961 HydrophobicContact CD1-CD 4.11Å; I899-K961 HydrophobicContact CG1-CB 4.24Å; I899-K961 HydrophobicContact CG2-CD 4.24Å; I899-L962 HydrophobicContact CD1-CG 4.42Å; I899-L962 HydrophobicContact CG1-CD2 3.73Å; I899-L962 HydrophobicContact CG1-CG 4.11Å |
| 900 | D | 83.6 | Confident | 88.1 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | trans | -73.2 | 103.8 | 171.4 | -175.4 | -0.3 | 0 | 0 | 0 | 110.5 | E896 D902 S903 | E896-D900 PolarHBondContact O-N 3.43Å; D900-D902 PolarHBondContact O-N 2.99Å; D900-D902 PolarHBondContact OD1-N 3.21Å; D900-D902 VanDerWaalsContact OD1-N 3.13Å; D900-S903 WeakPolarHBondContact O-CB 3.44Å; D900-S903 PolarHBondContact O-N 3.3Å; D900-S903 VanDerWaalsContact O-N 3.15Å | ||
| 901 | T | 69.3 | Low | 88.1 | Confident | 111 Ų | 111 | 39.6 Ų | 39.6 | 68% | 0.681 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.8 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | I899 | I899-T901 PolarHBondContact O-N 3.44Š|
| 902 | D | 72.1 | Confident | 88.1 | Confident | 142 Ų | 142 | 40.6 Ų | 40.6 | 76% | 0.759 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.7 | 177.8 | -63.8 | -26.4 | 0 | 0 | 0 | 112.2 | D900 | D900-D902 PolarHBondContact O-N 2.99Å; D900-D902 PolarHBondContact OD1-N 3.21Å; D900-D902 VanDerWaalsContact OD1-N 3.13Å |
| 903 | S | 78 | Confident | 88.3 | Confident | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | trans | -84.6 | 124.3 | -179 | 177 | 0 | 0 | 0 | 0 | 112.7 | R897 D900 L905 W906 | R897-S903 WeakPolarHBondContact O-CB 3.44Å; R897-S903 PolarHBondContact O-OG 3.24Å; D900-S903 WeakPolarHBondContact O-CB 3.44Å; D900-S903 PolarHBondContact O-N 3.3Å; D900-S903 VanDerWaalsContact O-N 3.15Å; S903-L905 VanDerWaalsContact C-N 3.35Å; S903-L905 PolarHBondContact OG-N 3.45Å; S903-W906 VanDerWaalsContact O-CD1 3.29Å; S903-W906 PolarHBondContact O-NE1 3.02Å | ||
| 904 | N | 82.6 | Confident | 88.6 | Confident | 94 Ų | 94 | 39.4 Ų | 39.4 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | trans | -91.4 | 6.7 | 169.8 | -61.9 | -58.4 | 0 | 0 | 0 | 113.1 | I733 N737 W906 | I733-N904 HydrophobicContact CG2-CB 4.13Å; I733-N904 VanDerWaalsContact CG2-O 3.29Å; I733-N904 WeakPolarHBondContact CG2-O 3.24Å; N737-N904 PolarHBondContact ND2-O 3.08Å; N904-W906 VanDerWaalsContact C-N 3.29Å; N904-W906 PolarHBondContact O-N 3.35Å | ||
| 905 | L | 85 | Confident | 88.8 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -92.1 | 28.9 | -172.2 | -61.9 | 173.6 | 0 | 0 | 0 | 113.4 | I725 I733 R897 S903 | I725-L905 HydrophobicContact CB-CD1 4.25Å; I725-L905 HydrophobicContact CD1-CD2 4.25Å; I733-L905 HydrophobicContact CG1-CD2 4.17Å; I733-L905 HydrophobicContact CG2-CD2 4.29Å; R897-L905 WeakPolarHBondContact CD-O 3.33Å; S903-L905 VanDerWaalsContact C-N 3.35Å; S903-L905 PolarHBondContact OG-N 3.45Å |
| 906 | W | 90.5 | Very high | 89 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | trans | -149.3 | 160.9 | 177.7 | 72.3 | -84.6 | 0 | 0 | 0 | 111.5 | R897 A898 S903 N904 M910 L911 Q967 L968 | R897-W906 HydrophobicContact CB-CB 4.31Å; A898-W906 HydrophobicContact CB-CB 4.45Å; A898-W906 HydrophobicContact CB-CD2 3.78Å; A898-W906 HydrophobicContact CB-CE3 4Å; A898-W906 HydrophobicContact CB-CG 3.98Å; S903-W906 VanDerWaalsContact O-CD1 3.29Å; S903-W906 PolarHBondContact O-NE1 3.02Å; N904-W906 VanDerWaalsContact C-N 3.29Å; N904-W906 PolarHBondContact O-N 3.35Å; W906-M910 HydrophobicContact CB-SD 4.45Å; W906-L911 HydrophobicContact CE3-CD1 3.5Å; W906-L911 HydrophobicContact CE3-CG 4.25Å; W906-L911 HydrophobicContact CZ3-CD1 3.52Å; W906-Q967 HydrophobicContact CH2-CB 4.32Å; W906-L968 HydrophobicContact CH2-CD2 4.25Å; W906-L968 HydrophobicContact CZ3-CD2 3.99Å | ||
| 907 | T | 92.4 | Very high | 89.3 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | trans | -139 | 162.7 | 172 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | N737 E741 G909 M910 L911 | N737-T907 HydrophobicContact CB-CG2 4.03Å; E741-T907 WeakPolarHBondContact OE1-CB 3.43Å; E741-T907 WeakPolarHBondContact OE1-CG2 3.43Å; E741-T907 PolarHBondContact OE1-OG1 2.98Å; T907-G909 PolarHBondContact O-N 2.99Å; T907-M910 HydrophobicContact CG2-CE 4.13Å; T907-M910 PolarHBondContact O-N 2.64Å; T907-M910 WeakPolarHBondContact OG1-CG 3.18Å; T907-M910 PolarHBondContact OG1-N 2.63Å; T907-L911 PolarHBondContact O-N 2.93Å | ||
| 908 | E | 91.6 | Very high | 89.7 | Confident | 80 Ų | 80 | 35.4 Ų | 35.4 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 173.4 | -165.5 | -173.2 | 158.8 | 0 | 0 | 111.6 | M910 L911 Q912 L968 Q971 | E908-M910 PolarHBondContact O-N 3.3Å; E908-L911 PolarHBondContact O-N 2.63Å; E908-L911 VanDerWaalsContact O-N 3.11Å; E908-Q912 HydrophobicContact CG-CG 4.43Å; E908-Q912 WeakPolarHBondContact O-CG 3.4Å; E908-Q912 PolarHBondContact O-N 2.92Å; E908-Q912 PolarHBondContact OE1-NE2 3.39Å; E908-L968 HydrophobicContact CG-CD2 4.42Å; E908-Q971 HydrophobicContact CG-CG 4.27Å; E908-Q971 WeakPolarHBondContact OE1-CG 3.35Å; E908-Q971 PolarHBondContact OE1-NE2 2.89Å |
| 909 | G | 92.7 | Very high | 90 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T907 L911 Q912 M913 | T907-G909 PolarHBondContact O-N 2.99Å; G909-L911 VanDerWaalsContact C-N 3.29Å; G909-L911 PolarHBondContact O-N 3.46Å; G909-Q912 PolarHBondContact O-N 3.31Å; G909-M913 WeakPolarHBondContact O-CG 3.43Å; G909-M913 PolarHBondContact O-N 3.02Å |
| 910 | M | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 174 | -68 | 179.1 | -153.6 | 0 | 0 | 112.4 | N737 I740 E741 L744 V894 W906 T907 E908 M913 A914 | N737-M910 HydrophobicContact CB-CE 3.44Å; N737-M910 VanDerWaalsContact CB-CE 3.44Å; N737-M910 WeakPolarHBondContact O-CE 3.35Å; N737-M910 WeakPolarHBondContact OD1-CE 3.14Å; I740-M910 HydrophobicContact CB-CE 4.07Å; I740-M910 HydrophobicContact CB-SD 4.2Å; I740-M910 HydrophobicContact CD1-CE 4.34Å; I740-M910 HydrophobicContact CG2-CE 4.25Å; I740-M910 HydrophobicContact CG2-CG 3.95Å; I740-M910 HydrophobicContact CG2-SD 3.7Å; E741-M910 HydrophobicContact CG-CB 4.49Å; E741-M910 HydrophobicContact CG-CG 3.6Å; L744-M910 HydrophobicContact CD1-CB 4.2Å; L744-M910 HydrophobicContact CD1-CG 4.45Å; V894-M910 HydrophobicContact CG1-CB 4.16Å; W906-M910 HydrophobicContact CB-SD 4.45Å; T907-M910 HydrophobicContact CG2-CE 4.13Å; T907-M910 PolarHBondContact O-N 2.64Å; T907-M910 WeakPolarHBondContact OG1-CG 3.18Å; T907-M910 PolarHBondContact OG1-N 2.63Å; E908-M910 PolarHBondContact O-N 3.3Å; M910-M913 PolarHBondContact O-N 3.36Å; M910-A914 VanDerWaalsContact O-CB 3.3Å; M910-A914 WeakPolarHBondContact O-CB 3.36Å; M910-A914 PolarHBondContact O-N 2.94Å |
| 911 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.7 | -43.1 | -178 | -69.5 | 170.9 | 0 | 0 | 0 | 111 | V894 F895 A898 W906 T907 E908 G909 M913 A914 F915 L962 L968 | V894-L911 HydrophobicContact CG1-CD2 4.06Å; F895-L911 HydrophobicContact CD1-CD2 3.68Å; F895-L911 HydrophobicContact CE1-CD2 4.08Å; A898-L911 HydrophobicContact CB-CD1 3.75Å; A898-L911 HydrophobicContact CB-CD2 3.78Å; A898-L911 HydrophobicContact CB-CG 4.24Å; W906-L911 HydrophobicContact CE3-CD1 3.5Å; W906-L911 HydrophobicContact CE3-CG 4.25Å; W906-L911 HydrophobicContact CZ3-CD1 3.52Å; T907-L911 PolarHBondContact O-N 2.93Å; E908-L911 PolarHBondContact O-N 2.63Å; E908-L911 VanDerWaalsContact O-N 3.11Å; G909-L911 VanDerWaalsContact C-N 3.29Å; G909-L911 PolarHBondContact O-N 3.46Å; L911-M913 VanDerWaalsContact C-N 3.3Å; L911-M913 PolarHBondContact O-N 2.87Å; L911-A914 PolarHBondContact O-N 3.04Å; L911-F915 HydrophobicContact CB-CE2 4.06Å; L911-F915 HydrophobicContact CB-CZ 4.15Å; L911-F915 VanDerWaalsContact O-CB 3.25Å; L911-F915 WeakPolarHBondContact O-CB 3.39Å; L911-F915 WeakPolarHBondContact O-CD2 3.32Å; L911-F915 WeakPolarHBondContact O-CG 3.4Å; L911-F915 PolarHBondContact O-N 2.98Å; L911-L962 HydrophobicContact CD2-CD1 4.5Å; L911-L968 HydrophobicContact CD1-CD1 3.82Å; L911-L968 HydrophobicContact CD1-CD2 3.59Å; L911-L968 HydrophobicContact CD1-CG 4.36Å |
| 912 | Q | 94.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 24.2 Ų | 24.2 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 173.4 | -66.6 | 177.3 | 7.4 | 0 | 0 | 111.6 | Y834 E908 G909 F915 H916 | Y834-Q912 VanDerWaalsContact OH-C 3.29Å; Y834-Q912 WeakPolarHBondContact OH-CB 3.5Å; E908-Q912 HydrophobicContact CG-CG 4.43Å; E908-Q912 WeakPolarHBondContact O-CG 3.4Å; E908-Q912 PolarHBondContact O-N 2.92Å; E908-Q912 PolarHBondContact OE1-NE2 3.39Å; G909-Q912 PolarHBondContact O-N 3.31Å; Q912-F915 PolarHBondContact O-N 3.5Å; Q912-H916 WeakPolarHBondContact O-CB 3.41Å; Q912-H916 PolarHBondContact O-N 2.98Å |
| 913 | M | 96.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 6% | 0.059 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 176.7 | -68.3 | 173.7 | -178.6 | 0 | 0 | 112 | E741 L744 Q745 I748 Y834 G909 M910 L911 F915 H916 I917 | E741-M913 HydrophobicContact CB-CE 4.29Å; E741-M913 HydrophobicContact CB-SD 4.15Å; L744-M913 HydrophobicContact CB-CB 3.94Å; L744-M913 HydrophobicContact CB-SD 4.04Å; L744-M913 HydrophobicContact CD1-CB 4.36Å; Q745-M913 HydrophobicContact CB-CE 3.89Å; Q745-M913 HydrophobicContact CB-SD 4.04Å; Q745-M913 HydrophobicContact CG-CE 4.27Å; I748-M913 HydrophobicContact CD1-CB 3.82Å; I748-M913 HydrophobicContact CD1-CG 4.02Å; Y834-M913 HydrophobicContact CE1-CE 3.94Å; Y834-M913 HydrophobicContact CE1-CG 3.72Å; Y834-M913 HydrophobicContact CE2-CG 4.22Å; Y834-M913 WeakPolarHBondContact OH-CG 3.42Å; Y834-M913 PolarHBondContact OH-N 3.45Å; G909-M913 WeakPolarHBondContact O-CG 3.43Å; G909-M913 PolarHBondContact O-N 3.02Å; M910-M913 PolarHBondContact O-N 3.36Å; L911-M913 VanDerWaalsContact C-N 3.3Å; L911-M913 PolarHBondContact O-N 2.87Å; M913-F915 VanDerWaalsContact C-N 3.35Å; M913-F915 PolarHBondContact O-N 3.18Å; M913-H916 WeakPolarHBondContact O-CB 3.49Å; M913-H916 PolarHBondContact O-N 3.43Å; M913-H916 VanDerWaalsContact O-N 3.11Å; M913-I917 WeakPolarHBondContact O-CG1 3.45Å; M913-I917 PolarHBondContact O-N 2.97Å |
| 914 | A | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L891 V894 F895 M910 L911 H916 I917 L918 | L891-A914 HydrophobicContact CD2-CB 3.83Å; V894-A914 HydrophobicContact CG1-CB 4.19Å; F895-A914 HydrophobicContact CE1-CB 3.62Å; F895-A914 HydrophobicContact CZ-CB 3.6Å; M910-A914 VanDerWaalsContact O-CB 3.3Å; M910-A914 WeakPolarHBondContact O-CB 3.36Å; M910-A914 PolarHBondContact O-N 2.94Å; L911-A914 PolarHBondContact O-N 3.04Å; A914-H916 VanDerWaalsContact C-N 3.32Å; A914-H916 PolarHBondContact O-N 3.36Å; A914-I917 PolarHBondContact O-N 3.24Å; A914-L918 WeakPolarHBondContact O-CG 3.47Å; A914-L918 PolarHBondContact O-N 3.4Å |
| 915 | F | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 171 | -68.1 | -20.4 | 0 | 0 | 0 | 111.8 | F895 L911 Q912 M913 L918 A919 L959 L962 Q971 M974 I975 I978 | F895-F915 HydrophobicContact CD1-CE1 4.05Å; F895-F915 AromaticContact CE1-CD1 3.58Å; F895-F915 HydrophobicContact CE1-CD1 3.58Å; F895-F915 AromaticContact CE1-CE1 3.43Å; F895-F915 HydrophobicContact CE1-CE1 3.43Å; F895-F915 VanDerWaalsContact CE1-CE1 3.43Å; F895-F915 HydrophobicContact CE1-CZ 4.49Å; F895-F915 AromaticContact CZ-CD1 3.97Å; F895-F915 HydrophobicContact CZ-CD1 3.97Å; F895-F915 HydrophobicContact CZ-CE1 4.18Å; L911-F915 HydrophobicContact CB-CE2 4.06Å; L911-F915 HydrophobicContact CB-CZ 4.15Å; L911-F915 VanDerWaalsContact O-CB 3.25Å; L911-F915 WeakPolarHBondContact O-CB 3.39Å; L911-F915 WeakPolarHBondContact O-CD2 3.32Å; L911-F915 WeakPolarHBondContact O-CG 3.4Å; L911-F915 PolarHBondContact O-N 2.98Å; Q912-F915 PolarHBondContact O-N 3.5Å; M913-F915 VanDerWaalsContact C-N 3.35Å; M913-F915 PolarHBondContact O-N 3.18Å; F915-L918 PolarHBondContact O-N 2.95Å; F915-A919 WeakPolarHBondContact O-CB 3.31Å; F915-A919 PolarHBondContact O-N 3.47Å; F915-L959 HydrophobicContact CD1-CD2 3.86Å; F915-L959 HydrophobicContact CE1-CD2 3.51Å; F915-L962 HydrophobicContact CE1-CD1 4.11Å; F915-L962 HydrophobicContact CZ-CD1 4.27Å; F915-Q971 HydrophobicContact CE2-CB 4.11Å; F915-M974 HydrophobicContact CB-CE 4.46Å; F915-M974 HydrophobicContact CB-CG 4.38Å; F915-I975 HydrophobicContact CD2-CG1 4.43Å; F915-I975 HydrophobicContact CE1-CG1 4.15Å; F915-I975 HydrophobicContact CE2-CD1 4.09Å; F915-I975 HydrophobicContact CE2-CG1 3.76Å; F915-I975 HydrophobicContact CZ-CD1 3.8Å; F915-I975 HydrophobicContact CZ-CG1 3.61Å; F915-I978 HydrophobicContact CB-CD1 3.58Å; F915-I978 HydrophobicContact CD1-CD1 4.12Å; F915-I978 HydrophobicContact CG-CD1 3.99Å; F915-I978 WeakPolarHBondContact O-CD1 3.17Å |
| 916 | H | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.6 | -40.7 | 176.9 | -167 | 99.9 | 0 | 0 | 0 | 112.4 | I748 N832 Y834 P865 Q912 M913 A914 A919 L920 | I748-H916 HydrophobicContact CD1-CB 4.17Å; N832-H916 PolarHBondContact OD1-CE1 2.95Å; N832-H916 VanDerWaalsContact OD1-CE1 3.27Å; Y834-H916 HydrophobicContact CD2-CB 3.91Å; Y834-H916 AromaticContact CD2-CD2 3.84Å; Y834-H916 AromaticContact CD2-CE1 3.8Å; Y834-H916 AromaticContact CD2-CG 3.52Å; Y834-H916 AromaticContact CD2-ND1 3.51Å; Y834-H916 HydrophobicContact CE2-CB 3.65Å; Y834-H916 AromaticContact CE2-CG 3.78Å; Y834-H916 AromaticContact CE2-ND1 3.9Å; P865-H916 VanDerWaalsContact CB-CE1 3.43Å; P865-H916 WeakPolarHBondContact CB-CE1 2.82Å; Q912-H916 WeakPolarHBondContact O-CB 3.41Å; Q912-H916 PolarHBondContact O-N 2.98Å; M913-H916 WeakPolarHBondContact O-CB 3.49Å; M913-H916 PolarHBondContact O-N 3.43Å; M913-H916 VanDerWaalsContact O-N 3.11Å; A914-H916 VanDerWaalsContact C-N 3.32Å; A914-H916 PolarHBondContact O-N 3.36Å; H916-A919 PolarHBondContact O-N 3.42Å; H916-L920 WeakPolarHBondContact O-CG 3.22Å; H916-L920 PolarHBondContact O-N 3.43Å |
| 917 | I | 97.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 172.7 | -65.9 | 170.7 | 0 | 0 | 0 | 110.9 | L744 L747 I748 L882 M887 L891 M913 A914 A919 L920 G921 | L744-I917 HydrophobicContact CB-CD1 4.45Å; L744-I917 HydrophobicContact CD2-CD1 3.87Å; L747-I917 HydrophobicContact CB-CD1 4.43Å; I748-I917 HydrophobicContact CD1-CG1 4.22Å; I748-I917 HydrophobicContact CG1-CD1 4.09Å; I748-I917 HydrophobicContact CG1-CG1 3.54Å; L882-I917 HydrophobicContact CD2-CG2 3.84Å; M887-I917 HydrophobicContact CE-CG2 4.33Å; M887-I917 HydrophobicContact SD-CG2 3.83Å; L891-I917 HydrophobicContact CD1-CG2 4.1Å; L891-I917 HydrophobicContact CD2-CB 4.19Å; L891-I917 HydrophobicContact CD2-CG2 4.09Å; M913-I917 WeakPolarHBondContact O-CG1 3.45Å; M913-I917 PolarHBondContact O-N 2.97Å; A914-I917 PolarHBondContact O-N 3.24Å; I917-A919 VanDerWaalsContact C-N 3.34Å; I917-A919 PolarHBondContact O-N 3.29Å; I917-L920 PolarHBondContact O-N 3.04Å; I917-G921 PolarHBondContact O-N 3.35Å |
| 918 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 173 | -74.3 | -176 | 0 | 0 | 0 | 112.2 | L891 F895 A914 F915 G921 L922 F941 I955 L959 I978 | L891-L918 HydrophobicContact CD1-CD2 3.93Å; F895-L918 HydrophobicContact CE2-CD1 3.58Å; F895-L918 HydrophobicContact CE2-CD2 4.46Å; F895-L918 HydrophobicContact CE2-CG 4.12Å; F895-L918 HydrophobicContact CZ-CD1 3.51Å; F895-L918 HydrophobicContact CZ-CG 4.06Å; A914-L918 WeakPolarHBondContact O-CG 3.47Å; A914-L918 PolarHBondContact O-N 3.4Å; F915-L918 PolarHBondContact O-N 2.95Å; L918-G921 PolarHBondContact O-N 2.97Å; L918-L922 WeakPolarHBondContact O-CG 3.39Å; L918-L922 PolarHBondContact O-N 2.85Å; L918-F941 HydrophobicContact CD2-CE1 4.41Å; L918-F941 HydrophobicContact CD2-CZ 3.95Å; L918-I955 HydrophobicContact CD1-CG2 3.71Å; L918-I955 HydrophobicContact CD2-CD1 4.14Å; L918-I955 HydrophobicContact CD2-CG2 3.87Å; L918-I955 HydrophobicContact CG-CG2 4.46Å; L918-L959 HydrophobicContact CD1-CD1 4.02Å; L918-L959 HydrophobicContact CD1-CD2 4.17Å; L918-L959 HydrophobicContact CD1-CG 4.46Å; L918-I978 HydrophobicContact CD1-CG2 4.43Å |
| 919 | A | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P865 F915 H916 I917 L922 L923 M974 W977 | P865-A919 HydrophobicContact CG-CB 3.53Å; F915-A919 WeakPolarHBondContact O-CB 3.31Å; F915-A919 PolarHBondContact O-N 3.47Å; H916-A919 PolarHBondContact O-N 3.42Å; I917-A919 VanDerWaalsContact C-N 3.34Å; I917-A919 PolarHBondContact O-N 3.29Å; A919-L922 PolarHBondContact O-N 3.01Å; A919-L923 VanDerWaalsContact O-CB 3.31Å; A919-L923 WeakPolarHBondContact O-CB 3.34Å; A919-L923 WeakPolarHBondContact O-CG 3.47Å; A919-L923 PolarHBondContact O-N 3.4Å; A919-M974 HydrophobicContact CB-CE 4.16Å; A919-W977 HydrophobicContact CB-CH2 4.29Å; A919-W977 HydrophobicContact CB-CZ3 3.64Å |
| 920 | L | 96.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 173.7 | -72.8 | 173.2 | 0 | 0 | 0 | 111.9 | I748 P865 L882 H916 I917 L922 L923 E924 | I748-L920 HydrophobicContact CG2-CD1 4.48Å; P865-L920 HydrophobicContact CB-CD2 3.67Å; P865-L920 HydrophobicContact CB-CG 4.19Å; P865-L920 HydrophobicContact CG-CD2 3.97Å; P865-L920 HydrophobicContact CG-CG 4.01Å; L882-L920 HydrophobicContact CD1-CB 4.35Å; H916-L920 WeakPolarHBondContact O-CG 3.22Å; H916-L920 PolarHBondContact O-N 3.43Å; I917-L920 PolarHBondContact O-N 3.04Å; L920-L922 PolarHBondContact O-N 3.26Å; L920-L923 PolarHBondContact O-N 2.94Å; L920-E924 WeakPolarHBondContact O-CB 3.39Å; L920-E924 PolarHBondContact O-N 3.24Å |
| 921 | G | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I917 L918 E925 | I917-G921 PolarHBondContact O-N 3.35Å; L918-G921 PolarHBondContact O-N 2.97Å; G921-E925 PolarHBondContact O-N 2.93Å; G921-E925 VanDerWaalsContact O-N 3.15Å |
| 922 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.1 | -35.4 | 176.7 | -65.1 | 168.4 | 0 | 0 | 0 | 112.8 | L918 A919 L920 K926 F941 I978 M981 F982 V985 | L918-L922 WeakPolarHBondContact O-CG 3.39Å; L918-L922 PolarHBondContact O-N 2.85Å; A919-L922 PolarHBondContact O-N 3.01Å; L920-L922 PolarHBondContact O-N 3.26Å; L922-K926 WeakPolarHBondContact O-CB 3.4Å; L922-K926 PolarHBondContact O-N 3.45Å; L922-F941 HydrophobicContact CD2-CD1 4.1Å; L922-F941 HydrophobicContact CD2-CE1 4.2Å; L922-F941 HydrophobicContact CG-CD1 4.28Å; L922-F941 HydrophobicContact CG-CE1 4.02Å; L922-I978 HydrophobicContact CD1-CG2 4.05Å; L922-M981 HydrophobicContact CB-CB 4.43Å; L922-M981 HydrophobicContact CB-CG 3.65Å; L922-M981 HydrophobicContact CD1-CB 4.06Å; L922-M981 HydrophobicContact CD1-CG 4.2Å; L922-F982 HydrophobicContact CD1-CD2 3.62Å; L922-F982 HydrophobicContact CD1-CE2 3.68Å; L922-F982 HydrophobicContact CD1-CG 4.08Å; L922-F982 HydrophobicContact CD1-CZ 4.18Å; L922-F982 HydrophobicContact CD2-CD1 3.94Å; L922-F982 HydrophobicContact CD2-CD2 4.43Å; L922-F982 HydrophobicContact CD2-CE1 3.98Å; L922-F982 HydrophobicContact CD2-CE2 4.48Å; L922-F982 HydrophobicContact CD2-CG 4.15Å; L922-F982 HydrophobicContact CD2-CZ 4.25Å; L922-V985 HydrophobicContact CB-CG2 4.29Å; L922-V985 HydrophobicContact CD2-CG2 4.18Å; L922-V985 WeakPolarHBondContact O-CG2 3.4Å |
| 923 | L | 95.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | 175.7 | -77.1 | 173.1 | 0 | 0 | 0 | 111.8 | P865 A919 L920 K926 Q927 W977 M981 | P865-L923 HydrophobicContact CB-CD1 4.19Å; P865-L923 HydrophobicContact CG-CD1 3.97Å; P865-L923 WeakPolarHBondContact O-CD1 3.36Å; A919-L923 VanDerWaalsContact O-CB 3.31Å; A919-L923 WeakPolarHBondContact O-CB 3.34Å; A919-L923 WeakPolarHBondContact O-CG 3.47Å; A919-L923 PolarHBondContact O-N 3.4Å; L920-L923 PolarHBondContact O-N 2.94Å; L923-K926 PolarHBondContact O-N 2.9Å; L923-Q927 WeakPolarHBondContact O-CG 3.36Å; L923-Q927 PolarHBondContact O-N 3.49Å; L923-W977 HydrophobicContact CD1-CH2 4.22Å; L923-W977 HydrophobicContact CD2-CH2 4.18Å; L923-W977 HydrophobicContact CG-CH2 4.16Å; L923-M981 HydrophobicContact CD2-CE 3.85Å |
| 924 | E | 95 | Very high | 93.8 | Very high | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -51 | 177.2 | -173.2 | 65.4 | -125.3 | 0 | 0 | 110.6 | R754 I879 L920 K926 Q927 Q928 F939 | R754-E924 IonicContact CZ-OE2 2.86Å; R754-E924 VanDerWaalsContact CZ-OE2 3.32Å; R754-E924 IonicContact NH1-OE2 3.73Å; R754-E924 PolarHBondContact NH1-OE2 3.27Å; R754-E924 IonicContact NH2-OE2 3.85Å; R754-E924 PolarHBondContact NH2-OE2 3.35Å; I879-E924 HydrophobicContact CB-CG 4.31Å; I879-E924 HydrophobicContact CD1-CG 4.44Å; I879-E924 HydrophobicContact CG2-CG 4.16Å; L920-E924 WeakPolarHBondContact O-CB 3.39Å; L920-E924 PolarHBondContact O-N 3.24Å; E924-K926 PolarHBondContact O-N 2.84Å; E924-Q927 PolarHBondContact O-N 2.93Å; E924-Q928 WeakPolarHBondContact O-CG 3.27Å; E924-Q928 PolarHBondContact O-N 3.21Å; E924-Q928 VanDerWaalsContact O-N 3.09Å; E924-Q928 PolarHBondContact OE1-NE2 2.91Å; E924-F939 HydrophobicContact CB-CE1 4.01Å; E924-F939 HydrophobicContact CB-CZ 4.42Å; E924-F939 HydrophobicContact CG-CD1 4.39Å; E924-F939 HydrophobicContact CG-CE1 3.92Å; E924-F939 HydrophobicContact CG-CZ 4.1Å |
| 925 | E | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.4 | -171.8 | 170.5 | -175.7 | 0 | 0 | 112.2 | G921 Q927 Q928 L929 F939 F941 Y942 V985 R989 | G921-E925 PolarHBondContact O-N 2.93Å; G921-E925 VanDerWaalsContact O-N 3.15Å; E925-Q927 PolarHBondContact O-N 3.25Å; E925-Q928 PolarHBondContact O-N 3.37Å; E925-L929 HydrophobicContact CG-CD1 3.85Å; E925-L929 HydrophobicContact CG-CG 4.34Å; E925-L929 WeakPolarHBondContact O-CB 3.49Å; E925-L929 WeakPolarHBondContact O-CG 3.49Å; E925-L929 PolarHBondContact O-N 3.24Å; E925-F939 HydrophobicContact CB-CD1 3.8Å; E925-F939 HydrophobicContact CB-CE1 4.11Å; E925-F939 VanDerWaalsContact CD-O 3.25Å; E925-F939 HydrophobicContact CG-CD1 4.36Å; E925-F939 WeakPolarHBondContact CG-O 3.24Å; E925-F941 PolarHBondContact OE2-N 3.21Å; E925-Y942 WeakPolarHBondContact OE2-CB 3.35Å; E925-Y942 PolarHBondContact OE2-N 2.94Å; E925-V985 HydrophobicContact CB-CG1 4.34Å; E925-V985 HydrophobicContact CG-CG1 3.88Å; E925-R989 IonicContact OE1-CZ 2.74Å; E925-R989 VanDerWaalsContact OE1-CZ 3.25Å; E925-R989 IonicContact OE1-NE 3.79Å; E925-R989 PolarHBondContact OE1-NE 2.56Å; E925-R989 IonicContact OE1-NH2 3.72Å; E925-R989 PolarHBondContact OE1-NH2 3.33Å |
| 926 | K | 94.6 | Very high | 92.7 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 174.4 | 173 | 179.4 | 168.7 | -168.6 | 0 | 111.7 | L922 L923 E924 Q928 L929 Q930 M981 T984 V985 L988 | L922-K926 WeakPolarHBondContact O-CB 3.4Å; L922-K926 PolarHBondContact O-N 3.45Å; L923-K926 PolarHBondContact O-N 2.9Å; E924-K926 PolarHBondContact O-N 2.84Å; K926-Q928 VanDerWaalsContact C-N 3.34Å; K926-Q928 PolarHBondContact O-N 2.79Å; K926-L929 PolarHBondContact O-N 3.45Å; K926-Q930 WeakPolarHBondContact O-CB 3.35Å; K926-Q930 VanDerWaalsContact O-CG 3.23Å; K926-Q930 WeakPolarHBondContact O-CG 3Å; K926-Q930 PolarHBondContact O-N 2.92Å; K926-M981 HydrophobicContact CD-CE 4.46Å; K926-M981 HydrophobicContact CD-SD 3.6Å; K926-M981 VanDerWaalsContact CD-SD 3.6Å; K926-T984 HydrophobicContact CD-CG2 4.38Å; K926-V985 HydrophobicContact CB-CG2 4.03Å; K926-L988 HydrophobicContact CB-CD1 4.47Å; K926-L988 HydrophobicContact CG-CD1 3.92Å |
| 927 | Q | 92.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 12% | 0.121 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 179.5 | -78 | -168.2 | 30.3 | 0 | 0 | 111.3 | P868 L923 E924 E925 Q930 K931 | P868-Q927 PolarHBondContact O-NE2 3.35Å; L923-Q927 WeakPolarHBondContact O-CG 3.36Å; L923-Q927 PolarHBondContact O-N 3.49Å; E924-Q927 PolarHBondContact O-N 2.93Å; E925-Q927 PolarHBondContact O-N 3.25Å; Q927-Q930 PolarHBondContact O-N 3.29Å; Q927-K931 VanDerWaalsContact O-CG 3.3Å; Q927-K931 WeakPolarHBondContact O-CG 3.25Å; Q927-K931 PolarHBondContact O-N 3.22Å |
| 928 | Q | 92.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 180 | -65.9 | 178 | 25.5 | 0 | 0 | 111.2 | E924 E925 K926 Q930 K931 A932 V937 F939 | E924-Q928 WeakPolarHBondContact O-CG 3.27Å; E924-Q928 PolarHBondContact O-N 3.21Å; E924-Q928 VanDerWaalsContact O-N 3.09Å; E924-Q928 PolarHBondContact OE1-NE2 2.91Å; E925-Q928 PolarHBondContact O-N 3.37Å; K926-Q928 VanDerWaalsContact C-N 3.34Å; K926-Q928 PolarHBondContact O-N 2.79Å; Q928-Q930 PolarHBondContact O-N 2.94Å; Q928-K931 PolarHBondContact O-N 3.49Å; Q928-A932 PolarHBondContact O-N 3.2Å; Q928-V937 HydrophobicContact CB-CG1 3.69Å; Q928-V937 HydrophobicContact CB-CG2 4.06Å; Q928-F939 VanDerWaalsContact OE1-CB 3.26Å |
| 929 | L | 92.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -14.5 | 174.1 | -69.3 | 170.6 | 0 | 0 | 0 | 114.6 | E925 K926 E934 V937 V985 L988 R989 | E925-L929 HydrophobicContact CG-CD1 3.85Å; E925-L929 HydrophobicContact CG-CG 4.34Å; E925-L929 WeakPolarHBondContact O-CB 3.49Å; E925-L929 WeakPolarHBondContact O-CG 3.49Å; E925-L929 PolarHBondContact O-N 3.24Å; K926-L929 PolarHBondContact O-N 3.45Å; L929-E934 HydrophobicContact CD2-CG 4.12Å; L929-V937 HydrophobicContact CD2-CB 3.92Å; L929-V937 HydrophobicContact CD2-CG1 4.11Å; L929-V937 HydrophobicContact CD2-CG2 4.03Å; L929-V937 HydrophobicContact CG-CB 4.48Å; L929-V937 HydrophobicContact CG-CG1 4.18Å; L929-V937 HydrophobicContact CG-CG2 4.48Å; L929-V985 HydrophobicContact CD1-CG1 4.08Å; L929-L988 HydrophobicContact CB-CB 4.11Å; L929-L988 HydrophobicContact CB-CD1 4.38Å; L929-L988 HydrophobicContact CD1-CB 3.91Å; L929-R989 HydrophobicContact CD1-CG 3.89Å |
| 930 | Q | 91.8 | Very high | 91.5 | Very high | 127 Ų | 127 | 48.2 Ų | 48.2 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -92.3 | -16.1 | 172.5 | -74.1 | -175.8 | -62.5 | 0 | 0 | 113.1 | K926 Q927 Q928 L988 | K926-Q930 WeakPolarHBondContact O-CB 3.35Å; K926-Q930 VanDerWaalsContact O-CG 3.23Å; K926-Q930 WeakPolarHBondContact O-CG 3Å; K926-Q930 PolarHBondContact O-N 2.92Å; Q927-Q930 PolarHBondContact O-N 3.29Å; Q928-Q930 PolarHBondContact O-N 2.94Å; Q930-L988 HydrophobicContact CG-CD1 4.23Å |
| 931 | K | 89.3 | Confident | 91.4 | Very high | 122 Ų | 122 | 47.9 Ų | 47.9 | 53% | 0.53 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -103.9 | -33.3 | -176.9 | -71.2 | 170 | -176.4 | 174.5 | 0 | 113 | E870 Q927 Q928 | E870-K931 IonicContact OE1-NZ 3.37Å; E870-K931 PolarHBondContact OE1-NZ 3.06Å; Q927-K931 VanDerWaalsContact O-CG 3.3Å; Q927-K931 WeakPolarHBondContact O-CG 3.25Å; Q927-K931 PolarHBondContact O-N 3.22Å; Q928-K931 PolarHBondContact O-N 3.49Å |
| 932 | A | 88.1 | Confident | 91.2 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -127.5 | 158.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q928 E936 V937 | Q928-A932 PolarHBondContact O-N 3.2Å; A932-E936 HydrophobicContact CB-CB 4.31Å; A932-V937 HydrophobicContact CB-CG2 4.05Å |
| 933 | P | 85.6 | Confident | 91 | Very high | 64 Ų | 64 | 53.2 Ų | 53.2 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | trans | -54.8 | 154.5 | 168.6 | -22.9 | 34 | 0 | 0 | 0 | 112.7 | E935 E936 V937 | P933-E935 WeakPolarHBondContact CB-OE2 3.35Å; P933-E935 PolarHBondContact O-N 3.38Å; P933-E936 HydrophobicContact CB-CG 4.48Å; P933-E936 HydrophobicContact CG-CG 4.49Å; P933-E936 PolarHBondContact O-N 3.3Å; P933-E936 VanDerWaalsContact O-N 3.14Å; P933-V937 PolarHBondContact O-N 3.4Å | ||
| 934 | E | 86.3 | Confident | 90.8 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -58.8 | -38.9 | -176.9 | -166 | -156.1 | 171.6 | 0 | 0 | 111.7 | L929 E936 V937 R989 S992 | L929-E934 HydrophobicContact CD2-CG 4.12Å; E934-E936 PolarHBondContact O-N 3.03Å; E934-V937 PolarHBondContact O-N 3.45Å; E934-V937 VanDerWaalsContact O-N 3.15Å; E934-R989 VanDerWaalsContact CD-O 3.27Å; E934-R989 PolarHBondContact O-NH1 2.84Å; E934-R989 WeakPolarHBondContact OE1-CD 3.14Å; E934-S992 WeakPolarHBondContact OE2-CB 3.26Å |
| 935 | E | 83.7 | Confident | 90.7 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -65.3 | -22.1 | -177 | -57.8 | 85.3 | 169.5 | 0 | 0 | 113 | P933 | P933-E935 WeakPolarHBondContact CB-OE2 3.35Å; P933-E935 PolarHBondContact O-N 3.38Å |
| 936 | E | 87.1 | Confident | 90.4 | Very high | 134 Ų | 134 | 55 Ų | 55 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -92.5 | -19.2 | 177.7 | -63.9 | -179.5 | -169 | 0 | 0 | 112.3 | A932 P933 E934 T938 | A932-E936 HydrophobicContact CB-CB 4.31Å; P933-E936 HydrophobicContact CB-CG 4.48Å; P933-E936 HydrophobicContact CG-CG 4.49Å; P933-E936 PolarHBondContact O-N 3.3Å; P933-E936 VanDerWaalsContact O-N 3.14Å; E934-E936 PolarHBondContact O-N 3.03Å; E936-T938 PolarHBondContact O-N 3.25Å; E936-T938 VanDerWaalsContact O-N 3.12Å |
| 937 | V | 88.1 | Confident | 90.1 | Very high | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | trans | -86.5 | 88.5 | -175.7 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | Q928 L929 A932 P933 E934 F939 R989 | Q928-V937 HydrophobicContact CB-CG1 3.69Å; Q928-V937 HydrophobicContact CB-CG2 4.06Å; L929-V937 HydrophobicContact CD2-CB 3.92Å; L929-V937 HydrophobicContact CD2-CG1 4.11Å; L929-V937 HydrophobicContact CD2-CG2 4.03Å; L929-V937 HydrophobicContact CG-CB 4.48Å; L929-V937 HydrophobicContact CG-CG1 4.18Å; L929-V937 HydrophobicContact CG-CG2 4.48Å; A932-V937 HydrophobicContact CB-CG2 4.05Å; P933-V937 PolarHBondContact O-N 3.4Å; E934-V937 PolarHBondContact O-N 3.45Å; E934-V937 VanDerWaalsContact O-N 3.15Å; V937-F939 VanDerWaalsContact C-N 3.27Å; V937-F939 PolarHBondContact O-N 3.39Å; V937-R989 PolarHBondContact O-NH1 3.28Å; V937-R989 PolarHBondContact O-NH2 3.11Å; V937-R989 VanDerWaalsContact O-NH2 3.08Å | ||
| 938 | T | 89.3 | Confident | 89.5 | Confident | 131 Ų | 131 | 63.5 Ų | 63.5 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | trans | -70.4 | -12.3 | 178.4 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | E936 D940 | E936-T938 PolarHBondContact O-N 3.25Å; E936-T938 VanDerWaalsContact O-N 3.12Å; T938-D940 PolarHBondContact O-N 2.83Å | ||
| 939 | F | 92.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | trans | -81.3 | 95.6 | -177.6 | -173 | -100.6 | 0 | 0 | 0 | 111.7 | I879 L882 N883 E924 E925 Q928 V937 F941 R989 | I879-F939 HydrophobicContact CB-CE2 4.18Å; I879-F939 HydrophobicContact CD1-CD2 4.11Å; I879-F939 HydrophobicContact CD1-CE2 4.35Å; I879-F939 HydrophobicContact CG1-CD2 4.21Å; I879-F939 HydrophobicContact CG1-CE2 4.07Å; I879-F939 WeakPolarHBondContact O-CE2 3.21Å; L882-F939 HydrophobicContact CB-CZ 4.18Å; L882-F939 HydrophobicContact CD1-CZ 4.43Å; N883-F939 HydrophobicContact CB-CD2 4.22Å; N883-F939 HydrophobicContact CB-CE2 3.67Å; N883-F939 HydrophobicContact CB-CZ 4.14Å; E924-F939 HydrophobicContact CB-CE1 4.01Å; E924-F939 HydrophobicContact CB-CZ 4.42Å; E924-F939 HydrophobicContact CG-CD1 4.39Å; E924-F939 HydrophobicContact CG-CE1 3.92Å; E924-F939 HydrophobicContact CG-CZ 4.1Å; E925-F939 HydrophobicContact CB-CD1 3.8Å; E925-F939 HydrophobicContact CB-CE1 4.11Å; E925-F939 VanDerWaalsContact CD-O 3.25Å; E925-F939 HydrophobicContact CG-CD1 4.36Å; E925-F939 WeakPolarHBondContact CG-O 3.24Å; Q928-F939 VanDerWaalsContact OE1-CB 3.26Å; V937-F939 VanDerWaalsContact C-N 3.27Å; V937-F939 PolarHBondContact O-N 3.39Å; F939-F941 HydrophobicContact CD1-CB 4.17Å; F939-F941 HydrophobicContact CE1-CB 3.59Å; F939-F941 HydrophobicContact CE1-CG 4.41Å; F939-F941 HydrophobicContact CZ-CB 4.04Å; F939-F941 PolarHBondContact O-N 3.36Å; F939-R989 PolarHBondContact O-NH2 3.34Å | ||
| 940 | D | 92.1 | Very high | 87.3 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | trans | -95.4 | 33.9 | -168.8 | 79.3 | -42.4 | 0 | 0 | 0 | 115.8 | N883 T938 Y942 H943 K944 R947 | N883-D940 PolarHBondContact ND2-N 2.63Å; N883-D940 PolarHBondContact ND2-OD1 3.21Å; T938-D940 PolarHBondContact O-N 2.83Å; D940-Y942 VanDerWaalsContact C-N 3.34Å; D940-Y942 PolarHBondContact O-N 3.25Å; D940-H943 HydrophobicContact CB-CB 4.32Å; D940-H943 PolarHBondContact O-N 3.22Å; D940-K944 PolarHBondContact O-N 3.08Å; D940-K944 VanDerWaalsContact OD1-CE 3.24Å; D940-K944 WeakPolarHBondContact OD1-CE 3.19Å; D940-R947 IonicContact OD2-NH2 2.63Å; D940-R947 PolarHBondContact OD2-NH2 2.83Å; D940-R947 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 941 | F | 94.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.6 | -46.3 | -173 | -179.6 | -88.6 | 0 | 0 | 0 | 113.6 | L882 N883 M888 L918 L922 E925 F939 H943 K944 A945 | L882-F941 HydrophobicContact CB-CD2 4.14Å; L882-F941 HydrophobicContact CB-CE2 4.17Å; L882-F941 WeakPolarHBondContact O-CD2 3.35Å; L882-F941 VanDerWaalsContact O-CE2 3.23Å; L882-F941 WeakPolarHBondContact O-CE2 3.3Å; N883-F941 WeakPolarHBondContact OD1-CA 3.37Å; M888-F941 HydrophobicContact CE-CD2 3.46Å; M888-F941 VanDerWaalsContact CE-CD2 3.46Å; M888-F941 HydrophobicContact CE-CE2 3.4Å; M888-F941 HydrophobicContact CE-CG 4.17Å; M888-F941 HydrophobicContact CE-CZ 4.05Å; L918-F941 HydrophobicContact CD2-CE1 4.41Å; L918-F941 HydrophobicContact CD2-CZ 3.95Å; L922-F941 HydrophobicContact CD2-CD1 4.1Å; L922-F941 HydrophobicContact CD2-CE1 4.2Å; L922-F941 HydrophobicContact CG-CD1 4.28Å; L922-F941 HydrophobicContact CG-CE1 4.02Å; E925-F941 PolarHBondContact OE2-N 3.21Å; F939-F941 HydrophobicContact CD1-CB 4.17Å; F939-F941 HydrophobicContact CE1-CB 3.59Å; F939-F941 HydrophobicContact CE1-CG 4.41Å; F939-F941 HydrophobicContact CZ-CB 4.04Å; F939-F941 PolarHBondContact O-N 3.36Å; F941-H943 VanDerWaalsContact C-N 3.34Å; F941-H943 PolarHBondContact O-N 3.38Å; F941-K944 PolarHBondContact O-N 3.34Å; F941-A945 HydrophobicContact CE1-CB 4.42Å; F941-A945 WeakPolarHBondContact O-CB 2.98Å; F941-A945 PolarHBondContact O-N 3.44Å |
| 942 | Y | 93.6 | Very high | 85.3 | Confident | 27 Ų | 27 | 61 Ų | 61 | 11% | 0.106 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -52.1 | -51.2 | 174.1 | 167.6 | -99.4 | 0 | 0 | 0 | 111.2 | E925 D940 K944 A945 S946 F982 V985 K986 | E925-Y942 WeakPolarHBondContact OE2-CB 3.35Å; E925-Y942 PolarHBondContact OE2-N 2.94Å; D940-Y942 VanDerWaalsContact C-N 3.34Å; D940-Y942 PolarHBondContact O-N 3.25Å; Y942-K944 PolarHBondContact O-N 2.98Å; Y942-A945 PolarHBondContact O-N 2.83Å; Y942-S946 WeakPolarHBondContact O-CB 3.43Å; Y942-S946 PolarHBondContact O-N 3.44Å; Y942-S946 PolarHBondContact O-OG 3.26Å; Y942-F982 AromaticContact CD2-CD1 3.71Å; Y942-F982 HydrophobicContact CD2-CD1 3.71Å; Y942-F982 HydrophobicContact CD2-CE1 4.32Å; Y942-F982 AromaticContact CE2-CD1 3.94Å; Y942-F982 HydrophobicContact CE2-CD1 3.94Å; Y942-V985 HydrophobicContact CD2-CG1 4.44Å; Y942-V985 HydrophobicContact CG-CG1 4.13Å; Y942-K986 HydrophobicContact CE1-CB 4.44Å; Y942-K986 HydrophobicContact CE2-CB 3.82Å; Y942-K986 HydrophobicContact CE2-CG 4.47Å; Y942-K986 WeakPolarHBondContact OH-CD 3.5Å; Y942-K986 WeakPolarHBondContact OH-CG 3.41Å |
| 943 | H | 91.1 | Very high | 85.2 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | -179.3 | -68.8 | -70.6 | 0 | 0 | 0 | 111.7 | D940 F941 S946 R947 | D940-H943 HydrophobicContact CB-CB 4.32Å; D940-H943 PolarHBondContact O-N 3.22Å; F941-H943 VanDerWaalsContact C-N 3.34Å; F941-H943 PolarHBondContact O-N 3.38Å; H943-S946 PolarHBondContact O-N 3.08Å; H943-R947 WeakPolarHBondContact O-CG 3.29Å; H943-R947 PolarHBondContact O-N 2.7Å; H943-R947 VanDerWaalsContact O-N 3.13Å |
| 944 | K | 91.4 | Very high | 85.4 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 177.4 | -65.2 | -150.6 | -166.2 | -178.1 | 0 | 113.3 | N883 D885 M888 R892 D940 F941 Y942 S946 R947 | N883-K944 WeakPolarHBondContact O-CD 3.36Å; N883-K944 WeakPolarHBondContact O-CE 3.41Å; N883-K944 PolarHBondContact O-NZ 3.11Å; N883-K944 WeakPolarHBondContact OD1-CD 3.45Å; N883-K944 WeakPolarHBondContact OD1-CE 3.36Å; N883-K944 WeakPolarHBondContact OD1-CG 3.39Å; D885-K944 IonicContact OD1-NZ 3.4Å; M888-K944 HydrophobicContact CE-CB 3.8Å; M888-K944 HydrophobicContact CG-CB 4.26Å; M888-K944 HydrophobicContact SD-CB 4.08Å; R892-K944 PolarHBondContact NH2-O 3.27Å; D940-K944 PolarHBondContact O-N 3.08Å; D940-K944 VanDerWaalsContact OD1-CE 3.24Å; D940-K944 WeakPolarHBondContact OD1-CE 3.19Å; F941-K944 PolarHBondContact O-N 3.34Å; Y942-K944 PolarHBondContact O-N 2.98Å; K944-S946 VanDerWaalsContact C-N 3.3Å; K944-S946 PolarHBondContact O-N 2.97Å; K944-R947 PolarHBondContact O-N 2.95Å |
| 945 | A | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M888 R892 F941 Y942 I955 F982 | M888-A945 HydrophobicContact CE-CB 4.41Å; M888-A945 HydrophobicContact SD-CB 4.23Å; R892-A945 PolarHBondContact NH2-O 3.43Å; F941-A945 HydrophobicContact CE1-CB 4.42Å; F941-A945 WeakPolarHBondContact O-CB 2.98Å; F941-A945 PolarHBondContact O-N 3.44Å; Y942-A945 PolarHBondContact O-N 2.83Å; A945-I955 HydrophobicContact CB-CB 4.4Å; A945-I955 HydrophobicContact CB-CD1 4.1Å; A945-I955 PolarHBondContact O-N 3.27Å; A945-I955 VanDerWaalsContact O-N 3.13Å; A945-F982 HydrophobicContact CB-CE1 3.81Å; A945-F982 HydrophobicContact CB-CZ 3.91Å |
| 946 | S | 89.9 | Confident | 86 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.4 | -13.7 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 115.2 | Y942 H943 K944 N954 | Y942-S946 WeakPolarHBondContact O-CB 3.43Å; Y942-S946 PolarHBondContact O-N 3.44Å; Y942-S946 PolarHBondContact O-OG 3.26Å; H943-S946 PolarHBondContact O-N 3.08Å; K944-S946 VanDerWaalsContact C-N 3.3Å; K944-S946 PolarHBondContact O-N 2.97Å; S946-N954 WeakPolarHBondContact O-CB 3.33Å; S946-N954 PolarHBondContact O-ND2 3.31Å |
| 947 | R | 87.6 | Confident | 86.2 | Confident | 135 Ų | 135 | 49.3 Ų | 49.3 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -62.3 | 146.6 | 174 | -74.2 | 169.1 | -157.1 | -166 | 8.1 | 111.2 | R892 D940 H943 K944 N954 | R892-R947 VanDerWaalsContact CZ-O 3.26Å; R892-R947 PolarHBondContact NH1-O 3.32Å; R892-R947 PolarHBondContact NH2-O 3.06Å; D940-R947 IonicContact OD2-NH2 2.63Å; D940-R947 PolarHBondContact OD2-NH2 2.83Å; D940-R947 VanDerWaalsContact OD2-NH2 3.09Å; H943-R947 WeakPolarHBondContact O-CG 3.29Å; H943-R947 PolarHBondContact O-N 2.7Å; H943-R947 VanDerWaalsContact O-N 3.13Å; K944-R947 PolarHBondContact O-N 2.95Å; R947-N954 WeakPolarHBondContact O-CB 3.49Å |
| 948 | L | 81.1 | Confident | 86.5 | Confident | 121 Ų | 121 | 49 Ų | 49 | 63% | 0.634 | 28% | 0.276 | S | S | * | . | trans | -69.2 | 137 | 173.5 | -62.7 | 174.5 | 0 | 0 | 0 | 110.6 | ||||
| 949 | G | 70.1 | Confident | 86.7 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | trans | -89.7 | -175.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R892 S951 A952 M953 | R892-G949 VanDerWaalsContact NH1-N 3.14Å; G949-S951 PolarHBondContact O-N 2.91Å; G949-A952 PolarHBondContact O-N 3.29Å; G949-M953 PolarHBondContact N-O 3Å | ||
| 950 | S | 67.2 | Low | 86.6 | Confident | 121 Ų | 121 | 47.9 Ų | 47.9 | 85% | 0.846 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.5 | 173 | 43.1 | 0 | 0 | 0 | 0 | 113.2 | A952 | S950-A952 PolarHBondContact O-N 3.37Š|
| 951 | S | 63.8 | Low | 86.6 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.7 | 174.3 | 59.3 | 0 | 0 | 0 | 0 | 114.8 | E896 G949 M953 | E896-S951 WeakPolarHBondContact OE1-CB 3.29Å; E896-S951 PolarHBondContact OE1-OG 2.94Å; G949-S951 PolarHBondContact O-N 2.91Å; S951-M953 PolarHBondContact O-N 3.09Å; S951-M953 PolarHBondContact OG-N 3Å |
| 952 | A | 76.7 | Confident | 86.4 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 56.4 | 22.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G949 S950 | G949-A952 PolarHBondContact O-N 3.29Å; S950-A952 PolarHBondContact O-N 3.37Å |
| 953 | M | 84.7 | Confident | 86.2 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | trans | -115.3 | 150.9 | 171.4 | -58.6 | -159.1 | 72.3 | 0 | 0 | 111.1 | R892 G949 S951 M957 L958 K961 | R892-M953 PolarHBondContact NH1-O 3.35Å; G949-M953 PolarHBondContact N-O 3Å; S951-M953 PolarHBondContact O-N 3.09Å; S951-M953 PolarHBondContact OG-N 3Å; M953-M957 HydrophobicContact CE-CB 3.6Å; M953-M957 HydrophobicContact CE-CE 4.04Å; M953-L958 HydrophobicContact CB-CD2 3.95Å; M953-L958 HydrophobicContact CB-CG 4.16Å; M953-L958 HydrophobicContact CE-CD2 4.46Å; M953-L958 HydrophobicContact CG-CD2 4.49Å; M953-L958 HydrophobicContact SD-CD2 3.93Å; M953-K961 HydrophobicContact CE-CD 3.76Å; M953-K961 VanDerWaalsContact CE-CE 3.48Å; M953-K961 HydrophobicContact CE-CG 4.43Å; M953-K961 HydrophobicContact SD-CD 4.13Å; M953-K961 PolarHBondContact SD-NZ 3.29Å | ||
| 954 | N | 89.8 | Confident | 85.9 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | trans | -104 | 169.3 | 167.9 | 73.8 | 18.5 | 0 | 0 | 0 | 110.9 | S946 R947 Q956 M957 L958 | S946-N954 WeakPolarHBondContact O-CB 3.33Å; S946-N954 PolarHBondContact O-ND2 3.31Å; R947-N954 WeakPolarHBondContact O-CB 3.49Å; N954-Q956 VanDerWaalsContact C-N 3.27Å; N954-Q956 PolarHBondContact O-N 3Å; N954-Q956 PolarHBondContact OD1-N 3.36Å; N954-M957 PolarHBondContact O-N 3.39Å; N954-M957 VanDerWaalsContact OD1-CG 3.24Å; N954-M957 WeakPolarHBondContact OD1-CG 3.28Å; N954-M957 PolarHBondContact OD1-N 3.32Å; N954-L958 WeakPolarHBondContact O-CG 3.41Å; N954-L958 PolarHBondContact O-N 2.88Å | ||
| 955 | I | 92.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | -174.6 | -65.1 | -177.5 | 0 | 0 | 0 | 111.5 | M888 L891 R892 F895 L918 A945 M957 L958 L959 F982 | M888-I955 HydrophobicContact SD-CD1 4.03Å; L891-I955 HydrophobicContact CB-CD1 4.32Å; R892-I955 HydrophobicContact CG-CD1 4.17Å; R892-I955 HydrophobicContact CG-CG1 3.79Å; F895-I955 HydrophobicContact CD2-CG2 4.26Å; F895-I955 HydrophobicContact CE2-CG2 4.03Å; L918-I955 HydrophobicContact CD1-CG2 3.71Å; L918-I955 HydrophobicContact CD2-CD1 4.14Å; L918-I955 HydrophobicContact CD2-CG2 3.87Å; L918-I955 HydrophobicContact CG-CG2 4.46Å; A945-I955 HydrophobicContact CB-CB 4.4Å; A945-I955 HydrophobicContact CB-CD1 4.1Å; A945-I955 PolarHBondContact O-N 3.27Å; A945-I955 VanDerWaalsContact O-N 3.13Å; I955-M957 PolarHBondContact O-N 3.13Å; I955-L958 PolarHBondContact O-N 2.8Å; I955-L959 HydrophobicContact CG2-CD1 4.21Å; I955-L959 HydrophobicContact CG2-CG 4.38Å; I955-L959 WeakPolarHBondContact O-CG 3.25Å; I955-L959 PolarHBondContact O-N 2.82Å; I955-F982 HydrophobicContact CG2-CZ 4.39Å |
| 956 | Q | 91.1 | Very high | 85.4 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 177.6 | -174.5 | 169.8 | -6.6 | 0 | 0 | 112.2 | N954 L958 L959 E960 L979 | N954-Q956 VanDerWaalsContact C-N 3.27Å; N954-Q956 PolarHBondContact O-N 3Å; N954-Q956 PolarHBondContact OD1-N 3.36Å; Q956-L958 VanDerWaalsContact C-N 3.32Å; Q956-L958 PolarHBondContact O-N 3.47Å; Q956-L959 PolarHBondContact O-N 3.18Å; Q956-E960 WeakPolarHBondContact O-CG 3.32Å; Q956-E960 PolarHBondContact O-N 3.44Å; Q956-L979 HydrophobicContact CG-CD2 3.8Å |
| 957 | M | 91.9 | Very high | 85 | Confident | 73 Ų | 73 | 61 Ų | 61 | 36% | 0.36 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.3 | -30.5 | 175.8 | -62.7 | 164.5 | 70.5 | 0 | 0 | 112.8 | M953 N954 I955 K961 | M953-M957 HydrophobicContact CE-CB 3.6Å; M953-M957 HydrophobicContact CE-CE 4.04Å; N954-M957 PolarHBondContact O-N 3.39Å; N954-M957 VanDerWaalsContact OD1-CG 3.24Å; N954-M957 WeakPolarHBondContact OD1-CG 3.28Å; N954-M957 PolarHBondContact OD1-N 3.32Å; I955-M957 PolarHBondContact O-N 3.13Å; M957-K961 PolarHBondContact O-N 2.98Å |
| 958 | L | 92.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 173.2 | -64.3 | 169.5 | 0 | 0 | 0 | 110.4 | R892 F895 E896 I899 M953 N954 I955 Q956 E960 K961 L962 | R892-L958 HydrophobicContact CG-CD1 4.46Å; F895-L958 HydrophobicContact CB-CB 4.15Å; F895-L958 HydrophobicContact CB-CD1 4.15Å; E896-L958 HydrophobicContact CG-CD1 4.07Å; E896-L958 HydrophobicContact CG-CD2 3.85Å; I899-L958 HydrophobicContact CD1-CB 4.14Å; I899-L958 HydrophobicContact CD1-CD2 3.44Å; I899-L958 VanDerWaalsContact CD1-CD2 3.44Å; I899-L958 HydrophobicContact CD1-CG 4.4Å; M953-L958 HydrophobicContact CB-CD2 3.95Å; M953-L958 HydrophobicContact CB-CG 4.16Å; M953-L958 HydrophobicContact CE-CD2 4.46Å; M953-L958 HydrophobicContact CG-CD2 4.49Å; M953-L958 HydrophobicContact SD-CD2 3.93Å; N954-L958 WeakPolarHBondContact O-CG 3.41Å; N954-L958 PolarHBondContact O-N 2.88Å; I955-L958 PolarHBondContact O-N 2.8Å; Q956-L958 VanDerWaalsContact C-N 3.32Å; Q956-L958 PolarHBondContact O-N 3.47Å; L958-E960 PolarHBondContact O-N 2.94Å; L958-K961 PolarHBondContact O-N 3.43Å; L958-K961 VanDerWaalsContact O-N 3.16Å; L958-L962 WeakPolarHBondContact O-CG 3.39Å; L958-L962 PolarHBondContact O-N 3.48Å |
| 959 | L | 93.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 175.3 | -70.3 | 171.3 | 0 | 0 | 0 | 112.9 | F915 L918 I955 Q956 K961 L962 K963 I975 I978 L979 F982 | F915-L959 HydrophobicContact CD1-CD2 3.86Å; F915-L959 HydrophobicContact CE1-CD2 3.51Å; L918-L959 HydrophobicContact CD1-CD1 4.02Å; L918-L959 HydrophobicContact CD1-CD2 4.17Å; L918-L959 HydrophobicContact CD1-CG 4.46Å; I955-L959 HydrophobicContact CG2-CD1 4.21Å; I955-L959 HydrophobicContact CG2-CG 4.38Å; I955-L959 WeakPolarHBondContact O-CG 3.25Å; I955-L959 PolarHBondContact O-N 2.82Å; Q956-L959 PolarHBondContact O-N 3.18Å; L959-K961 VanDerWaalsContact C-N 3.32Å; L959-K961 PolarHBondContact O-N 3Å; L959-L962 PolarHBondContact O-N 3.49Å; L959-K963 PolarHBondContact O-N 2.63Å; L959-I975 HydrophobicContact CB-CG2 4.18Å; L959-I975 HydrophobicContact CD2-CG2 4.41Å; L959-I975 WeakPolarHBondContact O-CG2 3.32Å; L959-I978 HydrophobicContact CD1-CG2 3.61Å; L959-L979 HydrophobicContact CB-CD2 4.04Å; L959-L979 HydrophobicContact CB-CG 4.48Å; L959-L979 HydrophobicContact CD1-CD2 4.28Å; L959-F982 HydrophobicContact CD1-CD2 4.39Å; L959-F982 HydrophobicContact CD1-CE2 3.82Å |
| 960 | E | 92 | Very high | 85.9 | Confident | 113 Ų | 113 | 56 Ų | 56 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 175.1 | -74.7 | 176.8 | -176.2 | 0 | 0 | 112.5 | Q956 L958 L979 | Q956-E960 WeakPolarHBondContact O-CG 3.32Å; Q956-E960 PolarHBondContact O-N 3.44Å; L958-E960 PolarHBondContact O-N 2.94Å; E960-L979 HydrophobicContact CG-CD1 4.33Å; E960-L979 HydrophobicContact CG-CD2 4.32Å |
| 961 | K | 91.4 | Very high | 87 | Confident | 107 Ų | 107 | 50.7 Ų | 50.7 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.9 | -47 | 172.9 | -76.6 | -174.2 | 173.8 | 177.3 | 0 | 112.2 | I899 M953 M957 L958 L959 K963 G964 | I899-K961 HydrophobicContact CD1-CB 3.91Å; I899-K961 HydrophobicContact CD1-CD 4.11Å; I899-K961 HydrophobicContact CG1-CB 4.24Å; I899-K961 HydrophobicContact CG2-CD 4.24Å; M953-K961 HydrophobicContact CE-CD 3.76Å; M953-K961 VanDerWaalsContact CE-CE 3.48Å; M953-K961 HydrophobicContact CE-CG 4.43Å; M953-K961 HydrophobicContact SD-CD 4.13Å; M953-K961 PolarHBondContact SD-NZ 3.29Å; M957-K961 PolarHBondContact O-N 2.98Å; L958-K961 PolarHBondContact O-N 3.43Å; L958-K961 VanDerWaalsContact O-N 3.16Å; L959-K961 VanDerWaalsContact C-N 3.32Å; L959-K961 PolarHBondContact O-N 3Å; K961-K963 PolarHBondContact O-N 2.97Å; K961-G964 PolarHBondContact O-N 3.44Å |
| 962 | L | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -36.1 | 179.4 | -69.6 | 171.4 | 0 | 0 | 0 | 112.1 | F895 A898 I899 L911 F915 L958 L959 G964 I965 L968 I975 | F895-L962 HydrophobicContact CB-CD1 3.95Å; F895-L962 HydrophobicContact CD1-CD1 3.57Å; F895-L962 HydrophobicContact CE1-CD1 4.42Å; F895-L962 HydrophobicContact CG-CD1 3.99Å; A898-L962 HydrophobicContact CB-CD2 3.74Å; I899-L962 HydrophobicContact CD1-CG 4.42Å; I899-L962 HydrophobicContact CG1-CD2 3.73Å; I899-L962 HydrophobicContact CG1-CG 4.11Å; L911-L962 HydrophobicContact CD2-CD1 4.5Å; F915-L962 HydrophobicContact CE1-CD1 4.11Å; F915-L962 HydrophobicContact CZ-CD1 4.27Å; L958-L962 WeakPolarHBondContact O-CG 3.39Å; L958-L962 PolarHBondContact O-N 3.48Å; L959-L962 PolarHBondContact O-N 3.49Å; L962-G964 PolarHBondContact O-N 3.43Å; L962-G964 VanDerWaalsContact O-N 3.14Å; L962-I965 HydrophobicContact CD2-CD1 3.82Å; L962-I965 WeakPolarHBondContact O-CB 3.48Å; L962-I965 PolarHBondContact O-N 3.21Å; L962-L968 HydrophobicContact CB-CD1 4.14Å; L962-L968 HydrophobicContact CD2-CD1 3.87Å; L962-I975 HydrophobicContact CB-CD1 4.25Å |
| 963 | K | 89.6 | Confident | 89.1 | Confident | 81 Ų | 81 | 51 Ų | 51 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.4 | 174.5 | -174.9 | 167.7 | 172.7 | 168.3 | 0 | 114 | L959 K961 K972 I975 T976 | L959-K963 PolarHBondContact O-N 2.63Å; K961-K963 PolarHBondContact O-N 2.97Å; K963-K972 HydrophobicContact CG-CG 4.49Å; K963-K972 VanDerWaalsContact O-CE 3.29Å; K963-K972 WeakPolarHBondContact O-CE 3.37Å; K963-I975 HydrophobicContact CB-CG2 3.99Å; K963-I975 HydrophobicContact CD-CG2 4.5Å; K963-T976 WeakPolarHBondContact CE-OG1 3.37Å; K963-T976 PolarHBondContact NZ-OG1 3.05Å |
| 964 | G | 84.9 | Confident | 89.6 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | K961 L962 | K961-G964 PolarHBondContact O-N 3.44Å; L962-G964 PolarHBondContact O-N 3.43Å; L962-G964 VanDerWaalsContact O-N 3.14Å |
| 965 | I | 87.3 | Confident | 89.8 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | trans | -83.4 | 123.1 | -173.5 | -60 | -174.5 | 0 | 0 | 0 | 110.5 | A898 L962 Q967 L968 | A898-I965 WeakPolarHBondContact O-CD1 3.43Å; L962-I965 HydrophobicContact CD2-CD1 3.82Å; L962-I965 WeakPolarHBondContact O-CB 3.48Å; L962-I965 PolarHBondContact O-N 3.21Å; I965-Q967 VanDerWaalsContact C-N 3.29Å; I965-Q967 HydrophobicContact CG2-CB 4.12Å; I965-Q967 VanDerWaalsContact CG2-OE1 3.23Å; I965-Q967 PolarHBondContact O-N 2.9Å; I965-L968 HydrophobicContact CB-CB 4.49Å; I965-L968 HydrophobicContact CB-CD1 4.22Å; I965-L968 HydrophobicContact CB-CG 4.32Å; I965-L968 HydrophobicContact CD1-CD1 4.42Å; I965-L968 HydrophobicContact CG2-CD1 4.47Å; I965-L968 HydrophobicContact CG2-CG 4.26Å; I965-L968 PolarHBondContact O-N 3.46Å | ||
| 966 | P | 84.2 | Confident | 90 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 66% | 0.656 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.4 | -34.3 | -178.2 | -26.3 | 35.4 | 0 | 0 | 0 | 114.5 | L968 E969 | P966-L968 PolarHBondContact O-N 2.89Å; P966-E969 PolarHBondContact O-N 3.49Å |
| 967 | Q | 83.2 | Confident | 90.2 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -63.6 | -17.8 | 176.7 | -65.7 | 86.1 | -25.1 | 0 | 0 | 113 | W906 I965 | W906-Q967 HydrophobicContact CH2-CB 4.32Å; I965-Q967 VanDerWaalsContact C-N 3.29Å; I965-Q967 HydrophobicContact CG2-CB 4.12Å; I965-Q967 VanDerWaalsContact CG2-OE1 3.23Å; I965-Q967 PolarHBondContact O-N 2.9Å |
| 968 | L | 85.4 | Confident | 90.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -108 | 19.5 | -177.6 | -58.3 | 179.2 | 0 | 0 | 0 | 113 | W906 E908 L911 L962 I965 P966 G970 Q971 K972 | W906-L968 HydrophobicContact CH2-CD2 4.25Å; W906-L968 HydrophobicContact CZ3-CD2 3.99Å; E908-L968 HydrophobicContact CG-CD2 4.42Å; L911-L968 HydrophobicContact CD1-CD1 3.82Å; L911-L968 HydrophobicContact CD1-CD2 3.59Å; L911-L968 HydrophobicContact CD1-CG 4.36Å; L962-L968 HydrophobicContact CB-CD1 4.14Å; L962-L968 HydrophobicContact CD2-CD1 3.87Å; I965-L968 HydrophobicContact CB-CB 4.49Å; I965-L968 HydrophobicContact CB-CD1 4.22Å; I965-L968 HydrophobicContact CB-CG 4.32Å; I965-L968 HydrophobicContact CD1-CD1 4.42Å; I965-L968 HydrophobicContact CG2-CD1 4.47Å; I965-L968 HydrophobicContact CG2-CG 4.26Å; I965-L968 PolarHBondContact O-N 3.46Å; P966-L968 PolarHBondContact O-N 2.89Å; L968-G970 VanDerWaalsContact C-N 3.26Å; L968-G970 PolarHBondContact O-N 3.32Å; L968-Q971 PolarHBondContact O-N 3.48Å; L968-K972 PolarHBondContact O-N 3.44Å |
| 969 | E | 85.6 | Confident | 90.6 | Very high | 114 Ų | 114 | 49 Ų | 49 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -50.5 | -45.5 | 178.7 | -165.3 | 68.8 | -137.6 | 0 | 0 | 112.2 | P966 Q971 K972 | P966-E969 PolarHBondContact O-N 3.49Å; E969-Q971 PolarHBondContact O-N 2.86Å; E969-Q971 VanDerWaalsContact O-N 3.12Å; E969-K972 VanDerWaalsContact CD-CE 3.47Å; E969-K972 PolarHBondContact O-N 2.99Å; E969-K972 WeakPolarHBondContact OE1-CD 3.47Å; E969-K972 WeakPolarHBondContact OE1-CE 3.39Å; E969-K972 IonicContact OE1-NZ 3.62Å; E969-K972 PolarHBondContact OE1-NZ 2.95Å; E969-K972 VanDerWaalsContact OE2-CE 3.23Å; E969-K972 WeakPolarHBondContact OE2-CE 3.35Å; E969-K972 IonicContact OE2-NZ 3.04Å; E969-K972 PolarHBondContact OE2-NZ 2.85Å |
| 970 | G | 85 | Confident | 90.7 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -67.8 | -6.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L968 | L968-G970 VanDerWaalsContact C-N 3.26Å; L968-G970 PolarHBondContact O-N 3.32Å |
| 971 | Q | 90.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -112.9 | -1.7 | 179.8 | -57.4 | -57.2 | -34.5 | 0 | 0 | 113.3 | E908 F915 L968 E969 D973 M974 I975 | E908-Q971 HydrophobicContact CG-CG 4.27Å; E908-Q971 WeakPolarHBondContact OE1-CG 3.35Å; E908-Q971 PolarHBondContact OE1-NE2 2.89Å; F915-Q971 HydrophobicContact CE2-CB 4.11Å; L968-Q971 PolarHBondContact O-N 3.48Å; E969-Q971 PolarHBondContact O-N 2.86Å; E969-Q971 VanDerWaalsContact O-N 3.12Å; Q971-D973 VanDerWaalsContact C-N 3.27Å; Q971-D973 PolarHBondContact O-N 3.44Å; Q971-M974 PolarHBondContact O-N 3.27Å; Q971-M974 VanDerWaalsContact O-N 3.1Å; Q971-I975 HydrophobicContact CB-CD1 4.43Å; Q971-I975 WeakPolarHBondContact O-CG1 3.48Å; Q971-I975 PolarHBondContact O-N 3.47Å |
| 972 | K | 91.8 | Very high | 91 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.9 | -36.7 | -177.5 | -76.1 | -176 | -179.2 | 172.6 | 0 | 113.8 | K963 L968 E969 T976 | K963-K972 HydrophobicContact CG-CG 4.49Å; K963-K972 VanDerWaalsContact O-CE 3.29Å; K963-K972 WeakPolarHBondContact O-CE 3.37Å; L968-K972 PolarHBondContact O-N 3.44Å; E969-K972 VanDerWaalsContact CD-CE 3.47Å; E969-K972 PolarHBondContact O-N 2.99Å; E969-K972 WeakPolarHBondContact OE1-CD 3.47Å; E969-K972 WeakPolarHBondContact OE1-CE 3.39Å; E969-K972 IonicContact OE1-NZ 3.62Å; E969-K972 PolarHBondContact OE1-NZ 2.95Å; E969-K972 VanDerWaalsContact OE2-CE 3.23Å; E969-K972 WeakPolarHBondContact OE2-CE 3.35Å; E969-K972 IonicContact OE2-NZ 3.04Å; E969-K972 PolarHBondContact OE2-NZ 2.85Å; K972-T976 VanDerWaalsContact O-CB 3.28Å; K972-T976 WeakPolarHBondContact O-CB 3.44Å; K972-T976 PolarHBondContact O-N 3.02Å; K972-T976 PolarHBondContact O-OG1 3.13Å |
| 973 | D | 93.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 177.3 | -74.5 | -6.4 | 0 | 0 | 0 | 111 | D860 E861 A862 Q971 T976 W977 | D860-D973 WeakPolarHBondContact CA-OD2 3.37Å; D860-D973 HydrophobicContact CB-CB 4.22Å; E861-D973 PolarHBondContact N-OD2 2.93Å; A862-D973 HydrophobicContact CB-CB 4.06Å; Q971-D973 VanDerWaalsContact C-N 3.27Å; Q971-D973 PolarHBondContact O-N 3.44Å; D973-T976 WeakPolarHBondContact O-CB 3.27Å; D973-T976 PolarHBondContact O-N 3.15Å; D973-W977 WeakPolarHBondContact O-CB 3.41Å; D973-W977 PolarHBondContact O-N 3.46Å |
| 974 | M | 94.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.4 | -173.7 | 58.3 | 178.5 | 0 | 0 | 111.9 | A862 P864 F915 A919 Q971 T976 W977 I978 | A862-M974 HydrophobicContact CB-CB 4.37Å; A862-M974 HydrophobicContact CB-SD 4.34Å; P864-M974 HydrophobicContact CB-SD 4.47Å; F915-M974 HydrophobicContact CB-CE 4.46Å; F915-M974 HydrophobicContact CB-CG 4.38Å; A919-M974 HydrophobicContact CB-CE 4.16Å; Q971-M974 PolarHBondContact O-N 3.27Å; Q971-M974 VanDerWaalsContact O-N 3.1Å; M974-T976 VanDerWaalsContact C-N 3.29Å; M974-T976 PolarHBondContact O-N 3.21Å; M974-W977 PolarHBondContact O-N 3.38Å; M974-I978 HydrophobicContact CE-CD1 4.19Å; M974-I978 HydrophobicContact CE-CG1 4.4Å; M974-I978 HydrophobicContact CG-CD1 4.41Å; M974-I978 WeakPolarHBondContact O-CG1 3.43Å; M974-I978 PolarHBondContact O-N 3.31Å |
| 975 | I | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 174 | -62.8 | 165.9 | 0 | 0 | 0 | 110.5 | F915 L959 L962 K963 Q971 I978 L979 | F915-I975 HydrophobicContact CD2-CG1 4.43Å; F915-I975 HydrophobicContact CE1-CG1 4.15Å; F915-I975 HydrophobicContact CE2-CD1 4.09Å; F915-I975 HydrophobicContact CE2-CG1 3.76Å; F915-I975 HydrophobicContact CZ-CD1 3.8Å; F915-I975 HydrophobicContact CZ-CG1 3.61Å; L959-I975 HydrophobicContact CB-CG2 4.18Å; L959-I975 HydrophobicContact CD2-CG2 4.41Å; L959-I975 WeakPolarHBondContact O-CG2 3.32Å; L962-I975 HydrophobicContact CB-CD1 4.25Å; K963-I975 HydrophobicContact CB-CG2 3.99Å; K963-I975 HydrophobicContact CD-CG2 4.5Å; Q971-I975 HydrophobicContact CB-CD1 4.43Å; Q971-I975 WeakPolarHBondContact O-CG1 3.48Å; Q971-I975 PolarHBondContact O-N 3.47Å; I975-I978 PolarHBondContact O-N 2.98Å; I975-L979 HydrophobicContact CG2-CD1 4.12Å; I975-L979 WeakPolarHBondContact O-CG 3.49Å; I975-L979 PolarHBondContact O-N 3.33Å |
| 976 | T | 95.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | K963 K972 D973 M974 L979 Q980 | K963-T976 WeakPolarHBondContact CE-OG1 3.37Å; K963-T976 PolarHBondContact NZ-OG1 3.05Å; K972-T976 VanDerWaalsContact O-CB 3.28Å; K972-T976 WeakPolarHBondContact O-CB 3.44Å; K972-T976 PolarHBondContact O-N 3.02Å; K972-T976 PolarHBondContact O-OG1 3.13Å; D973-T976 WeakPolarHBondContact O-CB 3.27Å; D973-T976 PolarHBondContact O-N 3.15Å; M974-T976 VanDerWaalsContact C-N 3.29Å; M974-T976 PolarHBondContact O-N 3.21Å; T976-L979 PolarHBondContact O-N 3.38Å; T976-Q980 VanDerWaalsContact O-CG 3.31Å; T976-Q980 WeakPolarHBondContact O-CG 3.45Å; T976-Q980 PolarHBondContact O-N 2.84Å |
| 977 | W | 96.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.9 | -175.6 | 98.8 | 0 | 0 | 0 | 111.8 | A862 P864 A919 L923 D973 M974 Q980 M981 | A862-W977 HydrophobicContact CB-CB 4.32Å; P864-W977 HydrophobicContact CB-CD2 3.81Å; P864-W977 VanDerWaalsContact CB-CE2 3.5Å; P864-W977 HydrophobicContact CB-CE3 3.97Å; P864-W977 HydrophobicContact CB-CH2 3.59Å; P864-W977 HydrophobicContact CB-CZ2 3.38Å; P864-W977 HydrophobicContact CB-CZ3 3.9Å; P864-W977 HydrophobicContact CG-CD2 4.28Å; P864-W977 HydrophobicContact CG-CZ2 3.89Å; A919-W977 HydrophobicContact CB-CH2 4.29Å; A919-W977 HydrophobicContact CB-CZ3 3.64Å; L923-W977 HydrophobicContact CD1-CH2 4.22Å; L923-W977 HydrophobicContact CD2-CH2 4.18Å; L923-W977 HydrophobicContact CG-CH2 4.16Å; D973-W977 WeakPolarHBondContact O-CB 3.41Å; D973-W977 PolarHBondContact O-N 3.46Å; M974-W977 PolarHBondContact O-N 3.38Å; W977-Q980 PolarHBondContact O-N 2.96Å; W977-M981 HydrophobicContact CH2-CE 3.39Å; W977-M981 HydrophobicContact CH2-CG 4.47Å; W977-M981 HydrophobicContact CZ2-CE 3.27Å; W977-M981 HydrophobicContact CZ3-CB 4.25Å; W977-M981 HydrophobicContact CZ3-CE 4.16Å; W977-M981 PolarHBondContact O-N 2.78Å |
| 978 | I | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.2 | -69.1 | 170.1 | 0 | 0 | 0 | 110.8 | F915 L918 L922 L959 M974 I975 Q980 M981 F982 | F915-I978 HydrophobicContact CB-CD1 3.58Å; F915-I978 HydrophobicContact CD1-CD1 4.12Å; F915-I978 HydrophobicContact CG-CD1 3.99Å; F915-I978 WeakPolarHBondContact O-CD1 3.17Å; L918-I978 HydrophobicContact CD1-CG2 4.43Å; L922-I978 HydrophobicContact CD1-CG2 4.05Å; L959-I978 HydrophobicContact CD1-CG2 3.61Å; M974-I978 HydrophobicContact CE-CD1 4.19Å; M974-I978 HydrophobicContact CE-CG1 4.4Å; M974-I978 HydrophobicContact CG-CD1 4.41Å; M974-I978 WeakPolarHBondContact O-CG1 3.43Å; M974-I978 PolarHBondContact O-N 3.31Å; I975-I978 PolarHBondContact O-N 2.98Å; I978-Q980 VanDerWaalsContact C-N 3.33Å; I978-Q980 PolarHBondContact O-N 2.66Å; I978-M981 CarbonylContact O-C 3.6Å; I978-M981 WeakPolarHBondContact O-CA 3.43Å; I978-M981 WeakPolarHBondContact O-CB 3.17Å; I978-M981 PolarHBondContact O-N 2.93Å; I978-F982 HydrophobicContact CG2-CD2 3.83Å; I978-F982 HydrophobicContact CG2-CE2 3.71Å; I978-F982 WeakPolarHBondContact O-CD2 3.35Å; I978-F982 PolarHBondContact O-N 2.94Å |
| 979 | L | 95.7 | Very high | 93 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.7 | -69 | 169.7 | 0 | 0 | 0 | 111.8 | Q956 L959 E960 I975 T976 M981 F982 D983 | Q956-L979 HydrophobicContact CG-CD2 3.8Å; L959-L979 HydrophobicContact CB-CD2 4.04Å; L959-L979 HydrophobicContact CB-CG 4.48Å; L959-L979 HydrophobicContact CD1-CD2 4.28Å; E960-L979 HydrophobicContact CG-CD1 4.33Å; E960-L979 HydrophobicContact CG-CD2 4.32Å; I975-L979 HydrophobicContact CG2-CD1 4.12Å; I975-L979 WeakPolarHBondContact O-CG 3.49Å; I975-L979 PolarHBondContact O-N 3.33Å; T976-L979 PolarHBondContact O-N 3.38Å; L979-M981 VanDerWaalsContact C-N 3.27Å; L979-M981 PolarHBondContact O-N 3.24Å; L979-F982 WeakPolarHBondContact O-CB 3.28Å; L979-F982 PolarHBondContact O-N 3.1Å; L979-D983 PolarHBondContact O-N 2.68Å; L979-D983 VanDerWaalsContact O-N 3.08Å |
| 980 | Q | 95.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 44.2 Ų | 44.2 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.3 | -30 | 172.9 | -70.8 | 173.1 | 7.8 | 0 | 0 | 113 | T976 W977 I978 T984 | T976-Q980 VanDerWaalsContact O-CG 3.31Å; T976-Q980 WeakPolarHBondContact O-CG 3.45Å; T976-Q980 PolarHBondContact O-N 2.84Å; W977-Q980 PolarHBondContact O-N 2.96Å; I978-Q980 VanDerWaalsContact C-N 3.33Å; I978-Q980 PolarHBondContact O-N 2.66Å; Q980-T984 WeakPolarHBondContact O-CB 3.35Å; Q980-T984 PolarHBondContact O-N 3.43Å; Q980-T984 PolarHBondContact O-OG1 3.31Å |
| 981 | M | 95.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.3 | -39.5 | 175 | -164.1 | 63.3 | 70.9 | 0 | 0 | 111.7 | L922 L923 K926 W977 I978 L979 D983 T984 V985 | L922-M981 HydrophobicContact CB-CB 4.43Å; L922-M981 HydrophobicContact CB-CG 3.65Å; L922-M981 HydrophobicContact CD1-CB 4.06Å; L922-M981 HydrophobicContact CD1-CG 4.2Å; L923-M981 HydrophobicContact CD2-CE 3.85Å; K926-M981 HydrophobicContact CD-CE 4.46Å; K926-M981 HydrophobicContact CD-SD 3.6Å; K926-M981 VanDerWaalsContact CD-SD 3.6Å; W977-M981 HydrophobicContact CH2-CE 3.39Å; W977-M981 HydrophobicContact CH2-CG 4.47Å; W977-M981 HydrophobicContact CZ2-CE 3.27Å; W977-M981 HydrophobicContact CZ3-CB 4.25Å; W977-M981 HydrophobicContact CZ3-CE 4.16Å; W977-M981 PolarHBondContact O-N 2.78Å; I978-M981 CarbonylContact O-C 3.6Å; I978-M981 WeakPolarHBondContact O-CA 3.43Å; I978-M981 WeakPolarHBondContact O-CB 3.17Å; I978-M981 PolarHBondContact O-N 2.93Å; L979-M981 VanDerWaalsContact C-N 3.27Å; L979-M981 PolarHBondContact O-N 3.24Å; M981-D983 VanDerWaalsContact C-N 3.34Å; M981-D983 PolarHBondContact O-N 3.14Å; M981-T984 WeakPolarHBondContact O-CA 3.5Å; M981-T984 WeakPolarHBondContact O-CB 3.34Å; M981-T984 PolarHBondContact O-N 3.3Å; M981-T984 HydrophobicContact SD-CG2 4.39Å; M981-V985 PolarHBondContact O-N 3.44Å |
| 982 | F | 95.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.3 | -50.4 | 168.4 | -88.5 | -81.2 | 0 | 0 | 0 | 111 | L922 Y942 A945 I955 L959 I978 L979 T984 V985 K986 | L922-F982 HydrophobicContact CD1-CD2 3.62Å; L922-F982 HydrophobicContact CD1-CE2 3.68Å; L922-F982 HydrophobicContact CD1-CG 4.08Å; L922-F982 HydrophobicContact CD1-CZ 4.18Å; L922-F982 HydrophobicContact CD2-CD1 3.94Å; L922-F982 HydrophobicContact CD2-CD2 4.43Å; L922-F982 HydrophobicContact CD2-CE1 3.98Å; L922-F982 HydrophobicContact CD2-CE2 4.48Å; L922-F982 HydrophobicContact CD2-CG 4.15Å; L922-F982 HydrophobicContact CD2-CZ 4.25Å; Y942-F982 AromaticContact CD2-CD1 3.71Å; Y942-F982 HydrophobicContact CD2-CD1 3.71Å; Y942-F982 HydrophobicContact CD2-CE1 4.32Å; Y942-F982 AromaticContact CE2-CD1 3.94Å; Y942-F982 HydrophobicContact CE2-CD1 3.94Å; A945-F982 HydrophobicContact CB-CE1 3.81Å; A945-F982 HydrophobicContact CB-CZ 3.91Å; I955-F982 HydrophobicContact CG2-CZ 4.39Å; L959-F982 HydrophobicContact CD1-CD2 4.39Å; L959-F982 HydrophobicContact CD1-CE2 3.82Å; I978-F982 HydrophobicContact CG2-CD2 3.83Å; I978-F982 HydrophobicContact CG2-CE2 3.71Å; I978-F982 WeakPolarHBondContact O-CD2 3.35Å; I978-F982 PolarHBondContact O-N 2.94Å; L979-F982 WeakPolarHBondContact O-CB 3.28Å; L979-F982 PolarHBondContact O-N 3.1Å; F982-T984 PolarHBondContact O-N 3.44Å; F982-V985 PolarHBondContact O-N 3.24Å; F982-K986 WeakPolarHBondContact O-CB 3.42Å; F982-K986 PolarHBondContact O-N 3.19Å |
| 983 | D | 94.1 | Very high | 87.9 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 40% | 0.401 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -26.1 | 175.8 | -75.5 | -27.3 | 0 | 0 | 0 | 113.4 | L979 M981 R987 | L979-D983 PolarHBondContact O-N 2.68Å; L979-D983 VanDerWaalsContact O-N 3.08Å; M981-D983 VanDerWaalsContact C-N 3.34Å; M981-D983 PolarHBondContact O-N 3.14Å; D983-R987 WeakPolarHBondContact O-CB 3.49Å; D983-R987 VanDerWaalsContact O-CG 3.23Å; D983-R987 WeakPolarHBondContact O-CG 3.18Å; D983-R987 PolarHBondContact O-N 3.04Å; D983-R987 PolarHBondContact O-NE 2.92Å |
| 984 | T | 94.9 | Very high | 85.3 | Confident | 38 Ų | 38 | 55 Ų | 55 | 23% | 0.233 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.9 | -45.4 | 178.3 | -62 | 0 | 0 | 0 | 0 | 111.6 | K926 Q980 M981 F982 R987 L988 | K926-T984 HydrophobicContact CD-CG2 4.38Å; Q980-T984 WeakPolarHBondContact O-CB 3.35Å; Q980-T984 PolarHBondContact O-N 3.43Å; Q980-T984 PolarHBondContact O-OG1 3.31Å; M981-T984 WeakPolarHBondContact O-CA 3.5Å; M981-T984 WeakPolarHBondContact O-CB 3.34Å; M981-T984 PolarHBondContact O-N 3.3Å; M981-T984 HydrophobicContact SD-CG2 4.39Å; F982-T984 PolarHBondContact O-N 3.44Å; T984-R987 PolarHBondContact O-N 3Å; T984-R987 PolarHBondContact OG1-NH2 3.11Å; T984-R987 VanDerWaalsContact OG1-NH2 3.14Å; T984-L988 WeakPolarHBondContact O-CG 3.33Å; T984-L988 PolarHBondContact O-N 3.39Å; T984-L988 VanDerWaalsContact O-N 3.16Å |
| 985 | V | 93.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | L922 E925 K926 L929 Y942 M981 F982 R987 L988 R989 | L922-V985 HydrophobicContact CB-CG2 4.29Å; L922-V985 HydrophobicContact CD2-CG2 4.18Å; L922-V985 WeakPolarHBondContact O-CG2 3.4Å; E925-V985 HydrophobicContact CB-CG1 4.34Å; E925-V985 HydrophobicContact CG-CG1 3.88Å; K926-V985 HydrophobicContact CB-CG2 4.03Å; L929-V985 HydrophobicContact CD1-CG1 4.08Å; Y942-V985 HydrophobicContact CD2-CG1 4.44Å; Y942-V985 HydrophobicContact CG-CG1 4.13Å; M981-V985 PolarHBondContact O-N 3.44Å; F982-V985 PolarHBondContact O-N 3.24Å; V985-R987 VanDerWaalsContact C-N 3.34Å; V985-R987 PolarHBondContact O-N 2.7Å; V985-L988 WeakPolarHBondContact O-CA 3.49Å; V985-L988 WeakPolarHBondContact O-CB 3.38Å; V985-L988 PolarHBondContact O-N 3.38Å; V985-R989 PolarHBondContact O-N 3.43Å |
| 986 | K | 92.7 | Very high | 79.9 | Confident | 72 Ų | 72 | 67 Ų | 67 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -50.9 | -51 | 173.3 | -179.5 | -179.6 | 177.6 | 177.6 | 0 | 112.1 | Y942 F982 L988 R989 E990 | Y942-K986 HydrophobicContact CE1-CB 4.44Å; Y942-K986 HydrophobicContact CE2-CB 3.82Å; Y942-K986 HydrophobicContact CE2-CG 4.47Å; Y942-K986 WeakPolarHBondContact OH-CD 3.5Å; Y942-K986 WeakPolarHBondContact OH-CG 3.41Å; F982-K986 WeakPolarHBondContact O-CB 3.42Å; F982-K986 PolarHBondContact O-N 3.19Å; K986-L988 VanDerWaalsContact C-N 3.25Å; K986-L988 PolarHBondContact O-N 3.22Å; K986-R989 PolarHBondContact O-N 3.19Å; K986-E990 VanDerWaalsContact CE-CD 3.44Å; K986-E990 WeakPolarHBondContact CE-OE1 3.39Å; K986-E990 WeakPolarHBondContact CE-OE2 3.34Å; K986-E990 HydrophobicContact CG-CG 4.33Å; K986-E990 IonicContact NZ-OE1 2.63Å; K986-E990 WeakPolarHBondContact O-CB 3.2Å; K986-E990 WeakPolarHBondContact O-CG 3.49Å; K986-E990 PolarHBondContact O-N 3.33Å |
| 987 | R | 92.6 | Very high | 77.1 | Confident | 144 Ų | 144 | 69.2 Ų | 69.2 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.7 | -19.8 | 178.3 | -75.1 | 178.2 | -62.9 | 167.9 | 2.9 | 114.2 | D983 T984 V985 K991 | D983-R987 WeakPolarHBondContact O-CB 3.49Å; D983-R987 VanDerWaalsContact O-CG 3.23Å; D983-R987 WeakPolarHBondContact O-CG 3.18Å; D983-R987 PolarHBondContact O-N 3.04Å; D983-R987 PolarHBondContact O-NE 2.92Å; T984-R987 PolarHBondContact O-N 3Å; T984-R987 PolarHBondContact OG1-NH2 3.11Å; T984-R987 VanDerWaalsContact OG1-NH2 3.14Å; V985-R987 VanDerWaalsContact C-N 3.34Å; V985-R987 PolarHBondContact O-N 2.7Å; R987-K991 VanDerWaalsContact O-CB 3.31Å; R987-K991 WeakPolarHBondContact O-CB 3.42Å; R987-K991 WeakPolarHBondContact O-CD 3.39Å; R987-K991 WeakPolarHBondContact O-CG 3.25Å; R987-K991 PolarHBondContact O-N 2.55Å |
| 988 | L | 90.9 | Very high | 74.1 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -79.4 | -43.5 | 173.4 | -72.2 | 169.2 | 0 | 0 | 0 | 110.9 | K926 L929 Q930 T984 V985 K986 | K926-L988 HydrophobicContact CB-CD1 4.47Å; K926-L988 HydrophobicContact CG-CD1 3.92Å; L929-L988 HydrophobicContact CB-CB 4.11Å; L929-L988 HydrophobicContact CB-CD1 4.38Å; L929-L988 HydrophobicContact CD1-CB 3.91Å; Q930-L988 HydrophobicContact CG-CD1 4.23Å; T984-L988 WeakPolarHBondContact O-CG 3.33Å; T984-L988 PolarHBondContact O-N 3.39Å; T984-L988 VanDerWaalsContact O-N 3.16Å; V985-L988 WeakPolarHBondContact O-CA 3.49Å; V985-L988 WeakPolarHBondContact O-CB 3.38Å; V985-L988 PolarHBondContact O-N 3.38Å; K986-L988 VanDerWaalsContact C-N 3.25Å; K986-L988 PolarHBondContact O-N 3.22Å |
| 989 | R | 87.3 | Confident | 70.9 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 7% | 0.072 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.6 | -54.7 | 169.3 | -69.7 | -72 | -175.8 | -173.9 | -0.6 | 111.4 | E925 L929 E934 V937 F939 V985 K986 K991 S992 | E925-R989 IonicContact OE1-CZ 2.74Å; E925-R989 VanDerWaalsContact OE1-CZ 3.25Å; E925-R989 IonicContact OE1-NE 3.79Å; E925-R989 PolarHBondContact OE1-NE 2.56Å; E925-R989 IonicContact OE1-NH2 3.72Å; E925-R989 PolarHBondContact OE1-NH2 3.33Å; L929-R989 HydrophobicContact CD1-CG 3.89Å; E934-R989 VanDerWaalsContact CD-O 3.27Å; E934-R989 PolarHBondContact O-NH1 2.84Å; E934-R989 WeakPolarHBondContact OE1-CD 3.14Å; V937-R989 PolarHBondContact O-NH1 3.28Å; V937-R989 PolarHBondContact O-NH2 3.11Å; V937-R989 VanDerWaalsContact O-NH2 3.08Å; F939-R989 PolarHBondContact O-NH2 3.34Å; V985-R989 PolarHBondContact O-N 3.43Å; K986-R989 PolarHBondContact O-N 3.19Å; R989-K991 PolarHBondContact O-N 3.07Å; R989-K991 VanDerWaalsContact O-N 3.08Å; R989-S992 PolarHBondContact O-N 2.66Å |
| 990 | E | 84.1 | Confident | 67.8 | Low | 103 Ų | 103 | 84.2 Ų | 84.2 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -18.6 | -175.4 | -70.3 | 175.7 | 162.3 | 0 | 0 | 114.5 | K986 | K986-E990 VanDerWaalsContact CE-CD 3.44Å; K986-E990 WeakPolarHBondContact CE-OE1 3.39Å; K986-E990 WeakPolarHBondContact CE-OE2 3.34Å; K986-E990 HydrophobicContact CG-CG 4.33Å; K986-E990 IonicContact NZ-OE1 2.63Å; K986-E990 WeakPolarHBondContact O-CB 3.2Å; K986-E990 WeakPolarHBondContact O-CG 3.49Å; K986-E990 PolarHBondContact O-N 3.33Å |
| 991 | K | 68.1 | Low | 64.6 | Low | 147 Ų | 147 | 82.7 Ų | 82.7 | 64% | 0.639 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.4 | -28.7 | -176.3 | -103.1 | 178.6 | 176.2 | -173.7 | 0 | 114.5 | R987 R989 | R987-K991 VanDerWaalsContact O-CB 3.31Å; R987-K991 WeakPolarHBondContact O-CB 3.42Å; R987-K991 WeakPolarHBondContact O-CD 3.39Å; R987-K991 WeakPolarHBondContact O-CG 3.25Å; R987-K991 PolarHBondContact O-N 2.55Å; R989-K991 PolarHBondContact O-N 3.07Å; R989-K991 VanDerWaalsContact O-N 3.08Å |
| 992 | S | 52.1 | Low | 61.3 | Low | 35 Ų | 35 | 87.5 Ų | 87.5 | 25% | 0.245 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -84.2 | -29.4 | -176.8 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | E934 R989 L994 I995 | E934-S992 WeakPolarHBondContact OE2-CB 3.26Å; R989-S992 PolarHBondContact O-N 2.66Å; S992-L994 PolarHBondContact O-N 2.67Å; S992-I995 PolarHBondContact O-N 3.35Å |
| 993 | C | 41.3 | Very low | 58 | Low | 91 Ų | 91 | 95.6 Ų | 95.6 | 62% | 0.615 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -15.3 | 176.1 | -78.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 994 | L | 39.7 | Very low | 54.8 | Low | 146 Ų | 146 | 96.4 Ų | 96.4 | 76% | 0.764 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -7.4 | -178.8 | -73.8 | 168.5 | 0 | 0 | 0 | 115 | S992 | S992-L994 PolarHBondContact O-N 2.67Š|
| 995 | I | 41 | Very low | 51.7 | Low | 145 Ų | 145 | 101.5 Ų | 101.5 | 74% | 0.744 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -95.8 | -21.1 | -172.5 | -63.2 | 177.1 | 0 | 0 | 0 | 113.1 | S992 | S992-I995 PolarHBondContact O-N 3.35Š|
| 996 | V | 36.1 | Very low | 48.7 | Very low | 119 Ų | 119 | 109.9 Ų | 109.9 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -86.5 | -11.7 | -172.9 | -175.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 997 | A | 35.3 | Very low | 45.6 | Very low | 80 Ų | 80 | 113.2 Ų | 113.2 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -107.7 | 59.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 998 | T | 32.3 | Very low | 42.7 | Very low | 133 Ų | 133 | 113.7 Ų | 113.7 | 82% | 0.816 | 66% | 0.657 | S | S | * | * | trans | -168.8 | 81.6 | 153.8 | 10.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 999 | T | 31.3 | Very low | 40 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 83% | 0.828 | 69% | 0.688 | S | S | * | * | trans | -116.7 | 80.7 | 163.5 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1000 | S | 30.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -168 | 127.4 | 160.7 | 2.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1001 | G | 28.6 | Very low | 35.4 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | 90.8 | 118.5 | 153 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1002 | S | 26.1 | Very low | 34.2 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -66.1 | 168.8 | 155.9 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1003 | E | 26.5 | Very low | 34 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -150.6 | 129.8 | 35.2 | -66.4 | 177.1 | 144.7 | 0 | 0 | 109.7 | ||||
| 1004 | S | 27 | Very low | 34.1 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | 87.8 | 129.2 | 93.4 | 95.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1005 | I | 30.2 | Very low | 34.6 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 71 | 125.4 | 139.6 | -67.8 | 169.2 | 0 | 0 | 0 | 116.6 | ||||
| 1006 | K | 30.3 | Very low | 35.2 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | -169 | 173.9 | 14.4 | -130.5 | 176.3 | -160.6 | 174 | 0 | 113.7 | ||||
| 1007 | N | 26.2 | Very low | 36.3 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 93.5 | 111.5 | 151.5 | -71.2 | 6.9 | 0 | 0 | 0 | 120.4 | ||||
| 1008 | D | 31.9 | Very low | 37.2 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -75.5 | -176.2 | 164.3 | -67.1 | -72 | 0 | 0 | 0 | 113.9 | ||||
| 1009 | E | 34.2 | Very low | 38.5 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 73.5 | 97 | 162.9 | -59.6 | -174.2 | 165.1 | 0 | 0 | 117.4 | ||||
| 1010 | I | 36.3 | Very low | 40.1 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | S | Bend | 175.2 | 73.1 | 122.1 | -79.4 | 148.8 | 0 | 0 | 0 | 108.8 | |||
| 1011 | T | 39.4 | Very low | 41.7 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -148.2 | -16 | 168.6 | 36.8 | 0 | 0 | 0 | 0 | 114.6 | D1013 | T1011-D1013 VanDerWaalsContact C-N 3.34Å; T1011-D1013 PolarHBondContact O-N 2.69Å |
| 1012 | H | 41.6 | Very low | 43.3 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -75.6 | -11.6 | -165.8 | -145.5 | -52.1 | 0 | 0 | 0 | 115.9 | ||
| 1013 | D | 47.8 | Very low | 45.2 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -89.7 | -19.1 | -179.5 | -92.7 | -29.2 | 0 | 0 | 0 | 115.1 | T1011 | T1011-D1013 VanDerWaalsContact C-N 3.34Å; T1011-D1013 PolarHBondContact O-N 2.69Å |
| 1014 | K | 44.1 | Very low | 47.1 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.4 | -42.6 | 179.6 | -82 | -177.2 | 175.5 | 175.1 | 0 | 112.8 | K1016 A1017 E1018 | K1014-K1016 VanDerWaalsContact C-N 3.33Å; K1014-K1016 PolarHBondContact O-N 2.95Å; K1014-A1017 PolarHBondContact O-N 3.49Å; K1014-E1018 PolarHBondContact O-N 2.89Å |
| 1015 | E | 50.5 | Low | 48.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.1 | -32.5 | 179.1 | -72.4 | -162 | 114.4 | 0 | 0 | 113.3 | E1018 R1019 | E1015-E1018 PolarHBondContact O-N 2.89Å; E1015-R1019 WeakPolarHBondContact O-CB 3.32Å; E1015-R1019 PolarHBondContact O-N 3.37Å |
| 1016 | K | 54.5 | Low | 50.3 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 67% | 0.674 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.9 | -36.2 | -179 | -160.1 | 172.3 | -175.6 | 176.8 | 0 | 111.9 | K1014 K1020 | K1014-K1016 VanDerWaalsContact C-N 3.33Å; K1014-K1016 PolarHBondContact O-N 2.95Å; K1016-K1020 PolarHBondContact O-N 3.31Å |
| 1017 | A | 57.8 | Low | 52.1 | Low | 65 Ų | 65 | 134.4 Ų | 134.4 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.8 | -39.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1014 K1020 R1021 | K1014-A1017 PolarHBondContact O-N 3.49Å; A1017-K1020 PolarHBondContact O-N 2.94Å; A1017-R1021 PolarHBondContact O-N 3.36Å |
| 1018 | E | 53.8 | Low | 54 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -71.5 | -42 | -178.9 | -158.9 | -174.2 | 137.5 | 0 | 0 | 112.7 | K1014 E1015 K1020 R1021 K1022 | K1014-E1018 PolarHBondContact O-N 2.89Å; E1015-E1018 PolarHBondContact O-N 2.89Å; E1018-K1020 VanDerWaalsContact C-N 3.28Å; E1018-K1020 PolarHBondContact O-N 3.35Å; E1018-R1021 PolarHBondContact O-N 2.94Å; E1018-K1022 PolarHBondContact O-N 2.93Å; E1018-K1022 WeakPolarHBondContact OE1-CE 3.22Å; E1018-K1022 IonicContact OE1-NZ 2.79Å; E1018-K1022 PolarHBondContact OE1-NZ 3.02Å |
| 1019 | R | 59.4 | Low | 55.4 | Low | 189 Ų | 189 | 131.2 Ų | 131.2 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.5 | -37.4 | 173.5 | -81.4 | -177.3 | 171 | 174.8 | -0.4 | 112.1 | E1015 A1023 | E1015-R1019 WeakPolarHBondContact O-CB 3.32Å; E1015-R1019 PolarHBondContact O-N 3.37Å; R1019-A1023 WeakPolarHBondContact O-CB 3.5Å; R1019-A1023 PolarHBondContact O-N 3.45Å |
| 1020 | K | 66 | Low | 56.5 | Low | 161 Ų | 161 | 130.3 Ų | 130.3 | 70% | 0.7 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.4 | -42.9 | 178.1 | -156 | 174.8 | -175.9 | -176.6 | 0 | 112.1 | K1016 A1017 E1018 A1023 E1024 | K1016-K1020 PolarHBondContact O-N 3.31Å; A1017-K1020 PolarHBondContact O-N 2.94Å; E1018-K1020 VanDerWaalsContact C-N 3.28Å; E1018-K1020 PolarHBondContact O-N 3.35Å; K1020-A1023 PolarHBondContact O-N 2.88Å; K1020-E1024 WeakPolarHBondContact O-CB 3.48Å; K1020-E1024 PolarHBondContact O-N 3.08Å |
| 1021 | R | 64.6 | Low | 58 | Low | 206 Ų | 206 | 127.6 Ų | 127.6 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63 | -43.2 | 173.8 | -101.4 | -177.5 | 170.3 | -179.3 | -2.5 | 113.1 | A1017 E1018 E1024 A1025 | A1017-R1021 PolarHBondContact O-N 3.36Å; E1018-R1021 PolarHBondContact O-N 2.94Å; R1021-E1024 PolarHBondContact O-N 3.09Å; R1021-A1025 WeakPolarHBondContact O-CB 3.26Å; R1021-A1025 PolarHBondContact O-N 3.24Å |
| 1022 | K | 61.4 | Low | 59.2 | Low | 133 Ų | 133 | 128.7 Ų | 128.7 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.1 | -38.1 | 177.1 | -80.8 | 172 | 170.5 | 164.9 | 0 | 112.3 | E1018 A1026 | E1018-K1022 PolarHBondContact O-N 2.93Å; E1018-K1022 WeakPolarHBondContact OE1-CE 3.22Å; E1018-K1022 IonicContact OE1-NZ 2.79Å; E1018-K1022 PolarHBondContact OE1-NZ 3.02Å; K1022-A1026 WeakPolarHBondContact O-CB 3.39Å; K1022-A1026 PolarHBondContact O-N 2.91Å |
| 1023 | A | 66.1 | Low | 60.1 | Low | 62 Ų | 62 | 124.9 Ų | 124.9 | 51% | 0.512 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.7 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1019 K1020 A1026 R1027 | R1019-A1023 WeakPolarHBondContact O-CB 3.5Å; R1019-A1023 PolarHBondContact O-N 3.45Å; K1020-A1023 PolarHBondContact O-N 2.88Å; A1023-A1026 PolarHBondContact O-N 3.23Å; A1023-R1027 PolarHBondContact O-N 2.92Å |
| 1024 | E | 66.3 | Low | 60.6 | Low | 121 Ų | 121 | 124.7 Ų | 124.7 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.4 | -40.4 | 179.2 | -167.8 | 161.9 | -143.9 | 0 | 0 | 112.1 | K1020 R1021 A1026 R1027 L1028 | K1020-E1024 WeakPolarHBondContact O-CB 3.48Å; K1020-E1024 PolarHBondContact O-N 3.08Å; R1021-E1024 PolarHBondContact O-N 3.09Å; E1024-A1026 PolarHBondContact O-N 2.79Å; E1024-R1027 PolarHBondContact O-N 2.73Å; E1024-R1027 VanDerWaalsContact O-N 3.14Å; E1024-L1028 PolarHBondContact O-N 3.33Å |
| 1025 | A | 63.2 | Low | 61.6 | Low | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.6 | -41.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1021 R1027 L1028 H1029 | R1021-A1025 WeakPolarHBondContact O-CB 3.26Å; R1021-A1025 PolarHBondContact O-N 3.24Å; A1025-R1027 VanDerWaalsContact C-N 3.27Å; A1025-R1027 PolarHBondContact O-N 2.96Å; A1025-L1028 PolarHBondContact O-N 2.93Å; A1025-H1029 WeakPolarHBondContact O-CB 3.34Å; A1025-H1029 PolarHBondContact O-N 3.41Å |
| 1026 | A | 60.6 | Low | 61.8 | Low | 36 Ų | 36 | 118.9 Ų | 118.9 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.1 | -20 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1022 A1023 E1024 R1030 | K1022-A1026 WeakPolarHBondContact O-CB 3.39Å; K1022-A1026 PolarHBondContact O-N 2.91Å; A1023-A1026 PolarHBondContact O-N 3.23Å; E1024-A1026 PolarHBondContact O-N 2.79Å; A1026-R1030 PolarHBondContact O-N 3.22Å; A1026-R1030 PolarHBondContact O-NE 3.05Å |
| 1027 | R | 68.1 | Low | 61.6 | Low | 171 Ų | 171 | 117.5 Ų | 117.5 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78.9 | -48.5 | 170.1 | -161.2 | -179 | 87.1 | 148.6 | 3 | 110.9 | A1023 E1024 A1025 H1029 R1030 Q1031 | A1023-R1027 PolarHBondContact O-N 2.92Å; E1024-R1027 PolarHBondContact O-N 2.73Å; E1024-R1027 VanDerWaalsContact O-N 3.14Å; A1025-R1027 VanDerWaalsContact C-N 3.27Å; A1025-R1027 PolarHBondContact O-N 2.96Å; R1027-H1029 VanDerWaalsContact C-N 3.31Å; R1027-H1029 PolarHBondContact O-N 2.87Å; R1027-R1030 PolarHBondContact O-N 3.32Å; R1027-Q1031 WeakPolarHBondContact O-CB 3.46Å; R1027-Q1031 PolarHBondContact O-N 3.21Å |
| 1028 | L | 66.7 | Low | 61.8 | Low | 111 Ų | 111 | 117.5 Ų | 117.5 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.7 | -39.9 | 175.7 | -90.8 | 154.2 | 0 | 0 | 0 | 112.3 | E1024 A1025 Q1031 K1032 | E1024-L1028 PolarHBondContact O-N 3.33Å; A1025-L1028 PolarHBondContact O-N 2.93Å; L1028-Q1031 PolarHBondContact O-N 3.45Å; L1028-K1032 WeakPolarHBondContact O-CB 3.41Å; L1028-K1032 PolarHBondContact O-N 3Å |
| 1029 | H | 60.3 | Low | 62.3 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.546 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -47.2 | 175.2 | -172.1 | 66.6 | 0 | 0 | 0 | 112.2 | A1025 R1027 Q1031 K1032 I1033 | A1025-H1029 WeakPolarHBondContact O-CB 3.34Å; A1025-H1029 PolarHBondContact O-N 3.41Å; R1027-H1029 VanDerWaalsContact C-N 3.31Å; R1027-H1029 PolarHBondContact O-N 2.87Å; H1029-Q1031 VanDerWaalsContact C-N 3.34Å; H1029-Q1031 PolarHBondContact O-N 2.89Å; H1029-K1032 PolarHBondContact O-N 3.22Å; H1029-I1033 PolarHBondContact O-N 2.65Å |
| 1030 | R | 57.7 | Low | 62.2 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64 | -36.3 | 175.7 | -81.2 | -179.4 | -86.9 | -152 | -1.5 | 113.1 | A1026 R1027 K1032 I1033 M1034 | A1026-R1030 PolarHBondContact O-N 3.22Å; A1026-R1030 PolarHBondContact O-NE 3.05Å; R1027-R1030 PolarHBondContact O-N 3.32Å; R1030-K1032 VanDerWaalsContact C-N 3.34Å; R1030-I1033 PolarHBondContact O-N 3.27Å; R1030-M1034 PolarHBondContact O-N 3Å |
| 1031 | Q | 68.1 | Low | 61.4 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.6 | -34.5 | 175.6 | -152.8 | 168.7 | 16.3 | 0 | 0 | 111.7 | R1027 L1028 H1029 A1035 | R1027-Q1031 WeakPolarHBondContact O-CB 3.46Å; R1027-Q1031 PolarHBondContact O-N 3.21Å; L1028-Q1031 PolarHBondContact O-N 3.45Å; H1029-Q1031 VanDerWaalsContact C-N 3.34Å; H1029-Q1031 PolarHBondContact O-N 2.89Å; Q1031-A1035 WeakPolarHBondContact O-CB 3.49Å; Q1031-A1035 PolarHBondContact O-N 3.31Å |
| 1032 | K | 65.4 | Low | 61.1 | Low | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.3 | -38.2 | 174.6 | -154.8 | 173.2 | -173 | -179.1 | 0 | 112.5 | L1028 H1029 R1030 A1035 Q1036 | L1028-K1032 WeakPolarHBondContact O-CB 3.41Å; L1028-K1032 PolarHBondContact O-N 3Å; H1029-K1032 PolarHBondContact O-N 3.22Å; R1030-K1032 VanDerWaalsContact C-N 3.34Å; K1032-A1035 PolarHBondContact O-N 3.27Å; K1032-Q1036 PolarHBondContact O-N 3.3Å |
| 1033 | I | 59.3 | Low | 61 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 37% | 0.374 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 173.1 | -68.3 | -172.8 | 0 | 0 | 0 | 111.5 | H1029 R1030 A1035 Q1036 M1037 | H1029-I1033 PolarHBondContact O-N 2.65Å; R1030-I1033 PolarHBondContact O-N 3.27Å; I1033-A1035 VanDerWaalsContact C-N 3.32Å; I1033-A1035 PolarHBondContact O-N 2.94Å; I1033-Q1036 PolarHBondContact O-N 3.3Å; I1033-M1037 HydrophobicContact CG2-CG 4.43Å; I1033-M1037 WeakPolarHBondContact O-CG 3.32Å; I1033-M1037 PolarHBondContact O-N 2.95Å |
| 1034 | M | 57.8 | Low | 60.2 | Low | 133 Ų | 133 | 108.3 Ų | 108.3 | 66% | 0.655 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 172.5 | -80.4 | -168.9 | -116.1 | 0 | 0 | 112.5 | R1030 M1037 S1038 | R1030-M1034 PolarHBondContact O-N 3Å; M1034-M1037 PolarHBondContact O-N 3.41Å; M1034-S1038 WeakPolarHBondContact O-CB 3.36Å; M1034-S1038 PolarHBondContact O-N 3.12Å |
| 1035 | A | 66.8 | Low | 59.8 | Low | 61 Ų | 61 | 107.4 Ų | 107.4 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1031 K1032 I1033 A1039 | Q1031-A1035 WeakPolarHBondContact O-CB 3.49Å; Q1031-A1035 PolarHBondContact O-N 3.31Å; K1032-A1035 PolarHBondContact O-N 3.27Å; I1033-A1035 VanDerWaalsContact C-N 3.32Å; I1033-A1035 PolarHBondContact O-N 2.94Å; A1035-A1039 VanDerWaalsContact O-CB 3.26Å; A1035-A1039 WeakPolarHBondContact O-CB 3.37Å; A1035-A1039 PolarHBondContact O-N 3.24Å |
| 1036 | Q | 54.3 | Low | 59.5 | Low | 118 Ų | 118 | 110.4 Ų | 110.4 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.7 | -43.6 | 173.2 | -77.8 | -178.2 | -65.3 | 0 | 0 | 112.5 | K1032 I1033 S1038 A1039 L1040 | K1032-Q1036 PolarHBondContact O-N 3.3Å; I1033-Q1036 PolarHBondContact O-N 3.3Å; Q1036-S1038 PolarHBondContact O-N 3.19Å; Q1036-A1039 PolarHBondContact O-N 3.16Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.48Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.21Å; Q1036-L1040 PolarHBondContact O-N 3.14Å |
| 1037 | M | 49.8 | Very low | 59.3 | Low | 125 Ų | 125 | 113.5 Ų | 113.5 | 62% | 0.616 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.2 | -47.4 | 173.7 | -74.6 | -74.1 | -159.5 | 0 | 0 | 111 | I1033 M1034 A1039 L1040 Q1041 | I1033-M1037 HydrophobicContact CG2-CG 4.43Å; I1033-M1037 WeakPolarHBondContact O-CG 3.32Å; I1033-M1037 PolarHBondContact O-N 2.95Å; M1034-M1037 PolarHBondContact O-N 3.41Å; M1037-A1039 PolarHBondContact O-N 3.27Å; M1037-L1040 PolarHBondContact O-N 3.07Å; M1037-Q1041 VanDerWaalsContact O-CB 3.32Å; M1037-Q1041 WeakPolarHBondContact O-CB 3.43Å; M1037-Q1041 PolarHBondContact O-N 3.32Å |
| 1038 | S | 61.5 | Low | 58.7 | Low | 65 Ų | 65 | 109.6 Ų | 109.6 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 178.3 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | M1034 Q1036 Q1041 K1042 | M1034-S1038 WeakPolarHBondContact O-CB 3.36Å; M1034-S1038 PolarHBondContact O-N 3.12Å; Q1036-S1038 PolarHBondContact O-N 3.19Å; S1038-Q1041 PolarHBondContact O-N 3.01Å; S1038-K1042 WeakPolarHBondContact O-CB 3.44Å; S1038-K1042 PolarHBondContact O-N 3.3Å |
| 1039 | A | 64.7 | Low | 57.7 | Low | 48 Ų | 48 | 110 Ų | 110 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.8 | -34.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1035 Q1036 M1037 N1043 | A1035-A1039 VanDerWaalsContact O-CB 3.26Å; A1035-A1039 WeakPolarHBondContact O-CB 3.37Å; A1035-A1039 PolarHBondContact O-N 3.24Å; Q1036-A1039 PolarHBondContact O-N 3.16Å; M1037-A1039 PolarHBondContact O-N 3.27Å; A1039-N1043 WeakPolarHBondContact O-CB 3.29Å; A1039-N1043 PolarHBondContact O-N 3.23Å; A1039-N1043 PolarHBondContact O-ND2 3.17Å |
| 1040 | L | 57.2 | Low | 57.3 | Low | 117 Ų | 117 | 112.3 Ų | 112.3 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.5 | -41.8 | 171.7 | -76.7 | 164.7 | 0 | 0 | 0 | 111 | Q1036 M1037 N1043 F1044 | Q1036-L1040 WeakPolarHBondContact O-CB 3.48Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.21Å; Q1036-L1040 PolarHBondContact O-N 3.14Å; M1037-L1040 PolarHBondContact O-N 3.07Å; L1040-N1043 PolarHBondContact O-N 3.47Å; L1040-F1044 WeakPolarHBondContact O-CB 3.28Å; L1040-F1044 PolarHBondContact O-N 3.45Å |
| 1041 | Q | 50.3 | Low | 56.8 | Low | 130 Ų | 130 | 112.6 Ų | 112.6 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 177.3 | -158.7 | 173 | 17.1 | 0 | 0 | 111.7 | M1037 S1038 F1044 I1045 | M1037-Q1041 VanDerWaalsContact O-CB 3.32Å; M1037-Q1041 WeakPolarHBondContact O-CB 3.43Å; M1037-Q1041 PolarHBondContact O-N 3.32Å; S1038-Q1041 PolarHBondContact O-N 3.01Å; Q1041-F1044 PolarHBondContact O-N 3.03Å; Q1041-I1045 WeakPolarHBondContact O-CD1 3.33Å; Q1041-I1045 VanDerWaalsContact O-CG1 3.27Å; Q1041-I1045 WeakPolarHBondContact O-CG1 3.23Å; Q1041-I1045 PolarHBondContact O-N 3.23Å |
| 1042 | K | 57.5 | Low | 55.8 | Low | 147 Ų | 147 | 116.7 Ų | 116.7 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -45.6 | 170.1 | -96.4 | -172 | 171.2 | -174.9 | 0 | 112.7 | S1038 F1044 I1045 E1046 | S1038-K1042 WeakPolarHBondContact O-CB 3.44Å; S1038-K1042 PolarHBondContact O-N 3.3Å; K1042-F1044 VanDerWaalsContact C-N 3.3Å; K1042-F1044 PolarHBondContact O-N 3.33Å; K1042-I1045 PolarHBondContact O-N 3.15Å; K1042-E1046 WeakPolarHBondContact O-CG 3.29Å; K1042-E1046 PolarHBondContact O-N 3.23Å |
| 1043 | N | 58.6 | Low | 54.9 | Low | 99 Ų | 99 | 116 Ų | 116 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.3 | -40.4 | 175.9 | -90.2 | -67.6 | 0 | 0 | 0 | 111.9 | A1039 L1040 E1046 T1047 | A1039-N1043 WeakPolarHBondContact O-CB 3.29Å; A1039-N1043 PolarHBondContact O-N 3.23Å; A1039-N1043 PolarHBondContact O-ND2 3.17Å; L1040-N1043 PolarHBondContact O-N 3.47Å; N1043-E1046 PolarHBondContact O-N 2.88Å; N1043-T1047 PolarHBondContact O-N 3.2Å; N1043-T1047 PolarHBondContact O-OG1 3.26Å |
| 1044 | F | 49.5 | Very low | 54 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 54% | 0.544 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.8 | -40.3 | 176.5 | -172.6 | -98.9 | 0 | 0 | 0 | 112.6 | L1040 Q1041 K1042 E1046 T1047 H1048 | L1040-F1044 WeakPolarHBondContact O-CB 3.28Å; L1040-F1044 PolarHBondContact O-N 3.45Å; Q1041-F1044 PolarHBondContact O-N 3.03Å; K1042-F1044 VanDerWaalsContact C-N 3.3Å; K1042-F1044 PolarHBondContact O-N 3.33Å; F1044-E1046 VanDerWaalsContact C-N 3.35Å; F1044-T1047 WeakPolarHBondContact CA-OG1 3.46Å; F1044-T1047 PolarHBondContact O-OG1 2.98Å; F1044-H1048 AromaticContact CE2-CD2 3.73Å; F1044-H1048 AromaticContact CE2-NE2 3.74Å; F1044-H1048 AromaticContact CZ-CD2 3.61Å; F1044-H1048 PolarHBondContact O-N 3.32Å |
| 1045 | I | 59 | Low | 53 | Low | 102 Ų | 102 | 120 Ų | 120 | 52% | 0.523 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.1 | -36.3 | 174.2 | -68.1 | 163.8 | 0 | 0 | 0 | 111 | Q1041 K1042 K1049 | Q1041-I1045 WeakPolarHBondContact O-CD1 3.33Å; Q1041-I1045 VanDerWaalsContact O-CG1 3.27Å; Q1041-I1045 WeakPolarHBondContact O-CG1 3.23Å; Q1041-I1045 PolarHBondContact O-N 3.23Å; K1042-I1045 PolarHBondContact O-N 3.15Å; I1045-K1049 PolarHBondContact O-N 2.95Å |
| 1046 | E | 57.3 | Low | 51.4 | Low | 119 Ų | 119 | 122.6 Ų | 122.6 | 56% | 0.556 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.6 | -30 | 176.8 | -69.6 | -164.2 | 124.6 | 0 | 0 | 114 | K1042 N1043 F1044 K1049 | K1042-E1046 WeakPolarHBondContact O-CG 3.29Å; K1042-E1046 PolarHBondContact O-N 3.23Å; N1043-E1046 PolarHBondContact O-N 2.88Å; F1044-E1046 VanDerWaalsContact C-N 3.35Å; E1046-K1049 IonicContact OE1-NZ 2.62Å; E1046-K1049 PolarHBondContact OE1-NZ 2.62Å |
| 1047 | T | 54.8 | Low | 50.2 | Low | 101 Ų | 101 | 126.3 Ų | 126.3 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.7 | -15.9 | 172.5 | 41.3 | 0 | 0 | 0 | 0 | 114.2 | N1043 F1044 | N1043-T1047 PolarHBondContact O-N 3.2Å; N1043-T1047 PolarHBondContact O-OG1 3.26Å; F1044-T1047 WeakPolarHBondContact CA-OG1 3.46Å; F1044-T1047 PolarHBondContact O-OG1 2.98Å |
| 1048 | H | 56.5 | Low | 49.3 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 41% | 0.412 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.6 | 23.5 | -179.6 | -65.1 | -11.5 | 0 | 0 | 0 | 113.6 | F1044 L1050 M1051 | F1044-H1048 AromaticContact CE2-CD2 3.73Å; F1044-H1048 AromaticContact CE2-NE2 3.74Å; F1044-H1048 AromaticContact CZ-CD2 3.61Å; F1044-H1048 PolarHBondContact O-N 3.32Å; H1048-L1050 PolarHBondContact O-N 2.71Å; H1048-M1051 PolarHBondContact O-N 3.27Å |
| 1049 | K | 46.1 | Very low | 48.3 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 52% | 0.517 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -7.6 | -172.8 | -140.7 | 171.2 | -170.9 | 167.3 | 0 | 116.3 | I1045 E1046 | I1045-K1049 PolarHBondContact O-N 2.95Å; E1046-K1049 IonicContact OE1-NZ 2.62Å; E1046-K1049 PolarHBondContact OE1-NZ 2.62Å |
| 1050 | L | 52.1 | Low | 46.5 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -1.1 | -177.6 | -92.5 | 159.9 | 0 | 0 | 0 | 114.8 | H1048 | H1048-L1050 PolarHBondContact O-N 2.71Š|
| 1051 | M | 47 | Very low | 45 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -106.7 | 2.4 | 177.9 | -70.7 | -147.3 | -83.9 | 0 | 0 | 114.9 | H1048 | H1048-M1051 PolarHBondContact O-N 3.27Š|
| 1052 | Y | 47.4 | Very low | 43.8 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -117.5 | -3.3 | -176.4 | -80.7 | -80 | 0 | 0 | 0 | 115.6 | N1054 | Y1052-N1054 PolarHBondContact O-N 3.13Š|
| 1053 | D | 45 | Very low | 42.4 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -82.7 | -3.8 | -175.2 | -82.2 | -5.1 | 0 | 0 | 0 | 115 | ||
| 1054 | N | 41.2 | Very low | 40.8 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -112.8 | 46 | -177.5 | -78.4 | -15.4 | 0 | 0 | 0 | 113.8 | Y1052 | Y1052-N1054 PolarHBondContact O-N 3.13Š|
| 1055 | T | 36.1 | Very low | 39.8 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -154.4 | 70.4 | 162.5 | -6.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1056 | S | 32.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -166.5 | 118.4 | 146.2 | -94.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1057 | E | 29.6 | Very low | 36.9 | Very low | 196 Ų | 196 | 140 Ų | 140 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | -168.9 | 129.7 | 115.4 | -101.9 | 172 | -169.8 | 0 | 0 | 109.9 | |||||
| 1058 | M | 32.1 | Very low | 35.7 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -90.1 | 179.7 | 164.8 | -62.1 | -129.8 | -57 | 0 | 0 | 108.7 | ||||
| 1059 | P | 39.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | cis | -136.4 | 173.6 | -2.1 | 40 | -22.7 | 0 | 0 | 0 | 115.9 | ||||
| 1060 | G | 25.8 | Very low | 33.6 | Very low | 73 Ų | 73 | 153.7 Ų | 153.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 113.9 | 126.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1061 | K | 26.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 153 Ų | 153 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 77.4 | 127.5 | 145.7 | -85.9 | -172.2 | 161.5 | -136.9 | 0 | 123.1 | ||||
| 1062 | E | 26.3 | Very low | 31.9 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | 91.2 | 133 | 136.2 | -76.6 | 162 | -169.5 | 0 | 0 | 121.5 | ||||
| 1063 | D | 26.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 71.4 | 90.1 | 156.2 | -60.8 | -7.5 | 0 | 0 | 0 | 123.6 | ||||
| 1064 | S | 25.9 | Very low | 30.2 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 97 | 149.4 | 106.7 | 80.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1065 | I | 27.5 | Very low | 29.6 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 84.9 | 128.9 | 160.3 | -59.8 | 165 | 0 | 0 | 0 | 117.7 | ||||
| 1066 | M | 27.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | 4.4 | 153.2 | 151.3 | -61 | 144.9 | 55.9 | 0 | 0 | 119.2 | ||||
| 1067 | E | 28.3 | Very low | 28.9 | Very low | 147 Ų | 147 | 154 Ų | 154 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | cis | -167.1 | 161.4 | 32.6 | -142.5 | 149.4 | -160.9 | 0 | 0 | 111.8 | ||||
| 1068 | E | 29.1 | Very low | 28.8 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 57.6 | 131.8 | 149 | -85 | 174.5 | 174.9 | 0 | 0 | 126.6 | ||||
| 1069 | E | 27.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | trans | 77 | 109.6 | 141.7 | -69.6 | -130.4 | 153.3 | 0 | 0 | 123.9 | ||||
| 1070 | R | 31.3 | Very low | 27.5 | Very low | 290 Ų | 290 | 151.5 Ų | 151.5 | 100% | 1.094 | 76% | 0.756 | S | S | * | * | trans | 90.1 | 0 | 147.1 | -61.2 | 176.6 | -164.6 | -138.1 | -3.8 | 119.8 |
Retrieved 1,070 of 1,070 residues in 461.2 ms
(Link to these results)