| 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 | 36.2 | Very low | 46.3 | Very low | 217 Ų | 217 | 73.7 Ų | 73.7 | 100% | 1.069 | 40% | 0.403 | S | S | * | . | 0 | -24.4 | 0 | -74.5 | -142.5 | -97.1 | 0 | 0 | 113.8 | S4 | M1-S4 PolarHBondContact O-OG 3.47Š| |||
| 2 | S | 39.8 | Very low | 45.7 | Very low | 66 Ų | 66 | 84 Ų | 84 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | trans | -77.2 | -16.1 | -179.1 | 52 | 0 | 0 | 0 | 0 | 116.5 | T5 | S2-T5 PolarHBondContact O-OG1 3.42Š| ||
| 3 | L | 47.1 | Very low | 44.9 | Very low | 24 Ų | 24 | 80.9 Ų | 80.9 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -100.5 | -12.8 | -177.2 | -76.8 | 155.4 | 0 | 0 | 0 | 114 | T5 A6 R7 E40 | L3-T5 PolarHBondContact O-N 3.21Å; L3-A6 HydrophobicContact CD2-CB 4.33Å; L3-A6 PolarHBondContact O-N 3.03Å; L3-R7 PolarHBondContact O-N 2.85Å; L3-E40 HydrophobicContact CD1-CB 3.73Å; L3-E40 HydrophobicContact CD1-CG 3.54Å |
| 4 | S | 46.1 | Very low | 44.1 | Very low | 87 Ų | 87 | 79.2 Ų | 79.2 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.6 | -27.2 | 170.5 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | M1 S8 | M1-S4 PolarHBondContact O-OG 3.47Å; S4-S8 PolarHBondContact O-N 3.04Å |
| 5 | T | 47.8 | Very low | 43.2 | Very low | 56 Ų | 56 | 87.2 Ų | 87.2 | 34% | 0.344 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 171.9 | -3.8 | 0 | 0 | 0 | 0 | 111.4 | S2 L3 R7 S8 F9 | S2-T5 PolarHBondContact O-OG1 3.42Å; L3-T5 PolarHBondContact O-N 3.21Å; T5-R7 VanDerWaalsContact C-N 3.26Å; T5-R7 PolarHBondContact O-N 3.48Å; T5-S8 CarbonylContact O-C 3.51Å; T5-S8 WeakPolarHBondContact O-CA 3.45Å; T5-S8 WeakPolarHBondContact O-CB 3.48Å; T5-S8 PolarHBondContact O-N 3.16Å; T5-F9 HydrophobicContact CG2-CE1 4.39Å; T5-F9 HydrophobicContact CG2-CE2 3.54Å; T5-F9 HydrophobicContact CG2-CZ 3.39Å; T5-F9 WeakPolarHBondContact O-CD2 3.23Å; T5-F9 VanDerWaalsContact O-CE2 3.32Å; T5-F9 WeakPolarHBondContact O-CE2 3.45Å; T5-F9 VanDerWaalsContact O-CG 3.28Å; T5-F9 WeakPolarHBondContact O-CG 3.43Å; T5-F9 PolarHBondContact O-N 3.36Å |
| 6 | A | 46.2 | Very low | 42.8 | Very low | 6 Ų | 6 | 85.3 Ų | 85.3 | 5% | 0.05 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -54.4 | -34.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | L3 L10 L47 | L3-A6 HydrophobicContact CD2-CB 4.33Å; L3-A6 PolarHBondContact O-N 3.03Å; A6-L10 PolarHBondContact O-N 2.92Å; A6-L47 HydrophobicContact CB-CD1 4.24Å |
| 7 | R | 48.1 | Very low | 41.9 | Very low | 167 Ų | 167 | 86 Ų | 86 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.6 | -33 | 174.4 | -70.9 | -174.9 | -176.9 | -172 | 0.1 | 113.2 | L3 T5 S11 E43 | L3-R7 PolarHBondContact O-N 2.85Å; T5-R7 VanDerWaalsContact C-N 3.26Å; T5-R7 PolarHBondContact O-N 3.48Å; R7-S11 PolarHBondContact O-N 3.39Å; R7-E43 IonicContact CZ-OE1 3.49Å; R7-E43 IonicContact NE-OE1 3.02Å; R7-E43 PolarHBondContact NE-OE1 2.95Å; R7-E43 IonicContact NH2-OE1 3.08Å; R7-E43 PolarHBondContact NH2-OE1 2.91Å |
| 8 | S | 49.7 | Very low | 41.3 | Very low | 62 Ų | 62 | 91 Ų | 91 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 172.1 | 148.1 | 0 | 0 | 0 | 0 | 111.4 | S4 T5 L10 S11 | S4-S8 PolarHBondContact O-N 3.04Å; T5-S8 CarbonylContact O-C 3.51Å; T5-S8 WeakPolarHBondContact O-CA 3.45Å; T5-S8 WeakPolarHBondContact O-CB 3.48Å; T5-S8 PolarHBondContact O-N 3.16Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 PolarHBondContact O-N 2.89Å; S8-S11 PolarHBondContact O-OG 3.49Å |
| 9 | F | 51.1 | Low | 41.2 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 23% | 0.228 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -69.1 | -22.8 | -179.2 | -60.9 | -50.9 | 0 | 0 | 0 | 115.3 | T5 L20 E28 K54 | T5-F9 HydrophobicContact CG2-CE1 4.39Å; T5-F9 HydrophobicContact CG2-CE2 3.54Å; T5-F9 HydrophobicContact CG2-CZ 3.39Å; T5-F9 WeakPolarHBondContact O-CD2 3.23Å; T5-F9 VanDerWaalsContact O-CE2 3.32Å; T5-F9 WeakPolarHBondContact O-CE2 3.45Å; T5-F9 VanDerWaalsContact O-CG 3.28Å; T5-F9 WeakPolarHBondContact O-CG 3.43Å; T5-F9 PolarHBondContact O-N 3.36Å; F9-L20 HydrophobicContact CD1-CD1 4.27Å; F9-L20 HydrophobicContact CE1-CD1 4.13Å; F9-E28 WeakPolarHBondContact CD2-OE2 3.43Å; F9-E28 WeakPolarHBondContact CE2-OE1 3.48Å; F9-E28 WeakPolarHBondContact CE2-OE2 3.18Å; F9-K54 PolarHBondContact O-NZ 3.35Å |
| 10 | L | 52.5 | Low | 41.5 | Very low | 17 Ų | 17 | 94.4 Ų | 94.4 | 9% | 0.089 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 18.1 | -176 | -62.9 | 171.7 | 0 | 0 | 0 | 112.5 | A6 S8 L47 K50 K54 | A6-L10 PolarHBondContact O-N 2.92Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 PolarHBondContact O-N 2.89Å; L10-L47 HydrophobicContact CD1-CB 3.87Å; L10-L47 HydrophobicContact CD1-CD1 4.42Å; L10-L47 HydrophobicContact CD1-CD2 4.04Å; L10-L47 HydrophobicContact CD1-CG 4.33Å; L10-K50 HydrophobicContact CB-CB 4.33Å; L10-K50 HydrophobicContact CB-CD 4.04Å; L10-K50 HydrophobicContact CD1-CB 4.21Å; L10-K50 HydrophobicContact CD2-CB 4.2Å; L10-K50 HydrophobicContact CG-CB 4.49Å; L10-K54 HydrophobicContact CD2-CD 4.41Å |
| 11 | S | 44.7 | Very low | 42.9 | Very low | 57 Ų | 57 | 94.3 Ų | 94.3 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -68.1 | 160.2 | 162.7 | 65.7 | 0 | 0 | 0 | 0 | 109.7 | R7 S8 A13 | R7-S11 PolarHBondContact O-N 3.39Å; S8-S11 PolarHBondContact O-OG 3.49Å; S11-A13 PolarHBondContact O-N 3.45Å |
| 12 | E | 38.7 | Very low | 44.9 | Very low | 197 Ų | 197 | 84.6 Ų | 84.6 | 92% | 0.921 | 46% | 0.462 | S | S | * | . | trans | -58.5 | 94.2 | 166 | -80.7 | -178.6 | 155.1 | 0 | 0 | 107.6 | G14 | E12-G14 PolarHBondContact O-N 2.83Å; E12-G14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | A | 35.4 | Very low | 46.9 | Very low | 44 Ų | 44 | 85.6 Ų | 85.6 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | trans | -63.7 | 114.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | S11 Y15 E17 | S11-A13 PolarHBondContact O-N 3.45Å; A13-Y15 PolarHBondContact O-N 3.41Å; A13-E17 HydrophobicContact CB-CB 4.26Å; A13-E17 HydrophobicContact CB-CG 4.13Å | ||
| 14 | G | 33.9 | Very low | 48.7 | Very low | 57 Ų | 57 | 86.9 Ų | 86.9 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | trans | -49.5 | 141.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | E12 G16 | E12-G14 PolarHBondContact O-N 2.83Å; E12-G14 VanDerWaalsContact O-N 3.11Å; G14-G16 PolarHBondContact O-N 3.28Å | ||
| 15 | Y | 30.4 | Very low | 50.7 | Low | 199 Ų | 199 | 83.5 Ų | 83.5 | 78% | 0.78 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39 | 113.5 | 175.9 | -70.4 | -89.2 | 0 | 0 | 0 | 109.7 | A13 L611 | A13-Y15 PolarHBondContact O-N 3.41Å; Y15-L611 VanDerWaalsContact O-CD1 3.25Å; Y15-L611 WeakPolarHBondContact O-CD1 3.44Å |
| 16 | G | 36.8 | Very low | 52.7 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 58% | 0.577 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.8 | 13.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | G14 | G14-G16 PolarHBondContact O-N 3.28Š|
| 17 | E | 27.4 | Very low | 54.7 | Low | 98 Ų | 98 | 87.7 Ų | 87.7 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -61.9 | 138.8 | 154.7 | -77.6 | -167.9 | 160.8 | 0 | 0 | 108.8 | A13 E19 | A13-E17 HydrophobicContact CB-CB 4.26Å; A13-E17 HydrophobicContact CB-CG 4.13Å; E17-E19 PolarHBondContact O-N 3.48Å |
| 18 | Q | 31.2 | Very low | 56.7 | Low | 176 Ų | 176 | 83 Ų | 83 | 82% | 0.822 | 45% | 0.452 | S | S | * | . | trans | -45.9 | 121.5 | 167.8 | -81.4 | 175.5 | -17.2 | 0 | 0 | 107.5 | L20 | Q18-L20 PolarHBondContact O-N 3.12Š| ||
| 19 | E | 40.3 | Very low | 58.7 | Low | 159 Ų | 159 | 80.3 Ų | 80.3 | 74% | 0.743 | 43% | 0.433 | S | S | * | . | trans | -58.9 | 85.5 | 173.7 | -80.8 | -170.9 | 145.7 | 0 | 0 | 107.8 | E17 D21 K805 | E17-E19 PolarHBondContact O-N 3.48Å; E19-D21 PolarHBondContact O-N 3.4Å; E19-K805 IonicContact OE1-NZ 3.09Å | ||
| 20 | L | 46.6 | Very low | 60.7 | Low | 91 Ų | 91 | 79 Ų | 79 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | trans | -62.8 | 132.7 | 167.2 | -79.5 | 161 | 0 | 0 | 0 | 106.7 | F9 Q18 A22 Y55 | F9-L20 HydrophobicContact CD1-CD1 4.27Å; F9-L20 HydrophobicContact CE1-CD1 4.13Å; Q18-L20 PolarHBondContact O-N 3.12Å; L20-A22 PolarHBondContact O-N 3.43Å; L20-Y55 PolarHBondContact O-OH 3.21Å | ||
| 21 | D | 70.5 | Confident | 62.6 | Low | 93 Ų | 93 | 85.1 Ų | 85.1 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | trans | -52.1 | 129.2 | -171.1 | -177.8 | 3.2 | 0 | 0 | 0 | 111.1 | E19 N23 S24 A25 | E19-D21 PolarHBondContact O-N 3.4Å; D21-N23 PolarHBondContact O-N 3.4Å; D21-N23 PolarHBondContact OD1-N 2.9Å; D21-N23 PolarHBondContact OD1-ND2 3.47Å; D21-N23 VanDerWaalsContact OD1-ND2 3.08Å; D21-N23 WeakPolarHBondContact OD2-CB 3.44Å; D21-N23 PolarHBondContact OD2-ND2 3.41Å; D21-N23 VanDerWaalsContact OD2-ND2 3.09Å; D21-S24 PolarHBondContact O-N 2.73Å; D21-S24 PolarHBondContact O-OG 2.68Å; D21-A25 PolarHBondContact O-N 2.88Å | ||
| 22 | A | 79.1 | Confident | 64.8 | Low | 13 Ų | 13 | 82.7 Ų | 82.7 | 11% | 0.107 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -51.1 | -29.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L20 L26 Y55 L60 | L20-A22 PolarHBondContact O-N 3.43Å; A22-L26 PolarHBondContact O-N 2.8Å; A22-L26 VanDerWaalsContact O-N 3.11Å; A22-Y55 HydrophobicContact CB-CD1 3.67Å; A22-Y55 HydrophobicContact CB-CD2 4.13Å; A22-Y55 HydrophobicContact CB-CE1 4.01Å; A22-Y55 HydrophobicContact CB-CE2 4.45Å; A22-Y55 HydrophobicContact CB-CG 3.72Å; A22-L60 HydrophobicContact CB-CD1 4.15Å; A22-L60 HydrophobicContact CB-CD2 4.06Å |
| 23 | N | 81.9 | Confident | 67.4 | Low | 86 Ų | 86 | 73.6 Ų | 73.6 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 174.9 | -62.1 | -48 | 0 | 0 | 0 | 113 | D21 L26 M27 | D21-N23 PolarHBondContact O-N 3.4Å; D21-N23 PolarHBondContact OD1-N 2.9Å; D21-N23 PolarHBondContact OD1-ND2 3.47Å; D21-N23 VanDerWaalsContact OD1-ND2 3.08Å; D21-N23 WeakPolarHBondContact OD2-CB 3.44Å; D21-N23 PolarHBondContact OD2-ND2 3.41Å; D21-N23 VanDerWaalsContact OD2-ND2 3.09Å; N23-L26 PolarHBondContact O-N 3.39Å; N23-M27 WeakPolarHBondContact O-CB 3.4Å; N23-M27 VanDerWaalsContact O-CG 3.29Å; N23-M27 WeakPolarHBondContact O-CG 3.35Å; N23-M27 PolarHBondContact O-N 3.24Å |
| 24 | S | 85.1 | Confident | 70 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 179.8 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | D21 L26 M27 E28 | D21-S24 PolarHBondContact O-N 2.73Å; D21-S24 PolarHBondContact O-OG 2.68Å; S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.08Å; S24-M27 PolarHBondContact O-N 3.27Å; S24-E28 PolarHBondContact O-N 3.28Å |
| 25 | A | 86.3 | Confident | 72.8 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 13% | 0.132 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | D21 E28 L29 L51 | D21-A25 PolarHBondContact O-N 2.88Å; A25-E28 PolarHBondContact O-N 2.87Å; A25-L29 PolarHBondContact O-N 2.95Å; A25-L51 HydrophobicContact CB-CD1 3.66Å |
| 26 | L | 90.6 | Very high | 75.4 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.3 | -178.9 | 61.9 | 0 | 0 | 0 | 112.5 | A22 N23 S24 E28 L29 D30 F48 L51 L60 A64 K67 | A22-L26 PolarHBondContact O-N 2.8Å; A22-L26 VanDerWaalsContact O-N 3.11Å; N23-L26 PolarHBondContact O-N 3.39Å; S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.08Å; L26-E28 VanDerWaalsContact C-N 3.32Å; L26-E28 PolarHBondContact O-N 3.32Å; L26-L29 PolarHBondContact O-N 2.63Å; L26-D30 WeakPolarHBondContact O-CB 3.39Å; L26-D30 PolarHBondContact O-N 2.98Å; L26-F48 HydrophobicContact CD1-CE1 3.85Å; L26-F48 HydrophobicContact CD1-CZ 4.44Å; L26-L51 HydrophobicContact CD1-CD2 4.1Å; L26-L60 HydrophobicContact CB-CD1 3.88Å; L26-L60 HydrophobicContact CD2-CD1 3.71Å; L26-L60 HydrophobicContact CG-CD1 4.34Å; L26-A64 HydrophobicContact CD1-CB 4.01Å; L26-K67 HydrophobicContact CD1-CD 4.21Å |
| 27 | M | 89.3 | Confident | 78 | Confident | 138 Ų | 138 | 76.8 Ų | 76.8 | 68% | 0.68 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63 | -38.2 | 177.3 | -76.6 | -174.7 | -174 | 0 | 0 | 112.2 | N23 S24 D30 K31 | N23-M27 WeakPolarHBondContact O-CB 3.4Å; N23-M27 VanDerWaalsContact O-CG 3.29Å; N23-M27 WeakPolarHBondContact O-CG 3.35Å; N23-M27 PolarHBondContact O-N 3.24Å; S24-M27 PolarHBondContact O-N 3.27Å; M27-D30 WeakPolarHBondContact O-CB 3.36Å; M27-D30 PolarHBondContact O-N 3.13Å; M27-K31 PolarHBondContact O-N 3.15Å |
| 28 | E | 88.8 | Confident | 81 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 176.3 | -72.5 | -164.5 | 162.9 | 0 | 0 | 113.1 | F9 S24 A25 L26 D30 K31 G32 | F9-E28 WeakPolarHBondContact CD2-OE2 3.43Å; F9-E28 WeakPolarHBondContact CE2-OE1 3.48Å; F9-E28 WeakPolarHBondContact CE2-OE2 3.18Å; S24-E28 PolarHBondContact O-N 3.28Å; A25-E28 PolarHBondContact O-N 2.87Å; L26-E28 VanDerWaalsContact C-N 3.32Å; L26-E28 PolarHBondContact O-N 3.32Å; E28-D30 VanDerWaalsContact C-N 3.28Å; E28-D30 PolarHBondContact O-N 2.87Å; E28-K31 WeakPolarHBondContact O-CB 3.44Å; E28-K31 PolarHBondContact O-N 2.69Å; E28-K31 VanDerWaalsContact O-N 3.16Å; E28-G32 PolarHBondContact O-N 3.49Å |
| 29 | L | 92.7 | Very high | 83.9 | Confident | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 173.7 | -68.3 | 179.8 | 0 | 0 | 0 | 110.8 | A25 L26 K31 G32 L33 A44 L47 F48 L51 | A25-L29 PolarHBondContact O-N 2.95Å; L26-L29 PolarHBondContact O-N 2.63Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.48Å; L29-G32 WeakPolarHBondContact O-CA 3.5Å; L29-G32 PolarHBondContact O-N 2.9Å; L29-G32 VanDerWaalsContact O-N 3.09Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.15Å; L29-A44 HydrophobicContact CD2-CB 4.38Å; L29-L47 HydrophobicContact CD2-CB 3.8Å; L29-L47 HydrophobicContact CD2-CD1 4.01Å; L29-F48 HydrophobicContact CB-CE2 4.15Å; L29-F48 HydrophobicContact CB-CZ 3.95Å; L29-F48 HydrophobicContact CD1-CD1 4.34Å; L29-F48 HydrophobicContact CD1-CD2 4.35Å; L29-F48 HydrophobicContact CD1-CE1 4.27Å; L29-F48 HydrophobicContact CD1-CE2 4.29Å; L29-F48 HydrophobicContact CD1-CG 4.39Å; L29-F48 HydrophobicContact CD1-CZ 4.26Å; L29-L51 HydrophobicContact CD1-CB 4.27Å; L29-L51 HydrophobicContact CD1-CD2 4.1Å |
| 30 | D | 92.6 | Very high | 86.4 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -39 | 174.1 | -168.2 | 50.4 | 0 | 0 | 0 | 112.2 | L26 M27 E28 G32 L33 R34 K67 | L26-D30 WeakPolarHBondContact O-CB 3.39Å; L26-D30 PolarHBondContact O-N 2.98Å; M27-D30 WeakPolarHBondContact O-CB 3.36Å; M27-D30 PolarHBondContact O-N 3.13Å; E28-D30 VanDerWaalsContact C-N 3.28Å; E28-D30 PolarHBondContact O-N 2.87Å; D30-G32 VanDerWaalsContact C-N 3.34Å; D30-L33 PolarHBondContact O-N 2.96Å; D30-R34 VanDerWaalsContact O-CG 3.31Å; D30-R34 WeakPolarHBondContact O-CG 3.5Å; D30-R34 PolarHBondContact O-N 3.21Å; D30-R34 IonicContact OD1-NE 2.9Å; D30-R34 IonicContact OD1-NH2 2.64Å; D30-R34 IonicContact OD2-CZ 2.93Å; D30-R34 VanDerWaalsContact OD2-CZ 3.32Å; D30-R34 IonicContact OD2-NE 2.96Å; D30-R34 PolarHBondContact OD2-NE 3.34Å; D30-R34 VanDerWaalsContact OD2-NE 3.11Å; D30-R34 IonicContact OD2-NH2 3.07Å; D30-R34 PolarHBondContact OD2-NH2 2.95Å; D30-K67 HydrophobicContact CB-CD 4.24Å; D30-K67 WeakPolarHBondContact OD1-CD 3.4Å; D30-K67 IonicContact OD1-NZ 3.89Å; D30-K67 PolarHBondContact OD1-NZ 2.98Å; D30-K67 IonicContact OD2-NZ 3.66Å; D30-K67 PolarHBondContact OD2-NZ 3.32Å |
| 31 | K | 92.2 | Very high | 88.6 | Confident | 146 Ų | 146 | 62 Ų | 62 | 64% | 0.635 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 173.8 | -173.1 | 179.9 | -179.9 | 177.5 | 0 | 111.7 | M27 E28 L29 R34 S35 | M27-K31 PolarHBondContact O-N 3.15Å; E28-K31 WeakPolarHBondContact O-CB 3.44Å; E28-K31 PolarHBondContact O-N 2.69Å; E28-K31 VanDerWaalsContact O-N 3.16Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.48Å; K31-R34 PolarHBondContact O-N 2.84Å; K31-S35 PolarHBondContact O-N 3.32Å |
| 32 | G | 91.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | E28 L29 D30 R34 S35 | E28-G32 PolarHBondContact O-N 3.49Å; L29-G32 WeakPolarHBondContact O-CA 3.5Å; L29-G32 PolarHBondContact O-N 2.9Å; L29-G32 VanDerWaalsContact O-N 3.09Å; D30-G32 VanDerWaalsContact C-N 3.34Å; G32-R34 VanDerWaalsContact C-N 3.29Å; G32-R34 PolarHBondContact O-N 2.9Å; G32-S35 WeakPolarHBondContact O-CB 3.2Å; G32-S35 PolarHBondContact O-N 2.95Å; G32-S35 VanDerWaalsContact O-N 3.12Å |
| 33 | L | 92.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -35 | 176 | -69.3 | -175.4 | 0 | 0 | 0 | 112.9 | L29 D30 S35 Q41 A44 V45 F48 K67 I71 | L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.15Å; D30-L33 PolarHBondContact O-N 2.96Å; L33-S35 VanDerWaalsContact C-N 3.28Å; L33-S35 PolarHBondContact O-N 3.41Å; L33-Q41 PolarHBondContact O-NE2 2.9Å; L33-A44 HydrophobicContact CD2-CB 3.9Å; L33-A44 HydrophobicContact CG-CB 4.23Å; L33-V45 HydrophobicContact CD2-CG2 3.58Å; L33-F48 HydrophobicContact CD1-CE2 3.81Å; L33-F48 HydrophobicContact CD1-CZ 3.74Å; L33-F48 HydrophobicContact CD2-CE2 4.19Å; L33-F48 HydrophobicContact CG-CE2 4.17Å; L33-F48 HydrophobicContact CG-CZ 4.46Å; L33-K67 HydrophobicContact CD1-CB 4.15Å; L33-I71 HydrophobicContact CB-CD1 4.03Å; L33-I71 HydrophobicContact CB-CG1 4.3Å; L33-I71 HydrophobicContact CD1-CG1 4.08Å; L33-I71 HydrophobicContact CD2-CD1 4.41Å; L33-I71 HydrophobicContact CD2-CG1 4.07Å; L33-I71 HydrophobicContact CG-CG1 4.37Å |
| 34 | R | 90.9 | Very high | 90.9 | Very high | 186 Ų | 186 | 55.6 Ų | 55.6 | 70% | 0.702 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2 | 177.2 | -66.4 | 177.3 | -166.4 | -146.6 | 11.2 | 113.9 | D30 K31 G32 | D30-R34 VanDerWaalsContact O-CG 3.31Å; D30-R34 WeakPolarHBondContact O-CG 3.5Å; D30-R34 PolarHBondContact O-N 3.21Å; D30-R34 IonicContact OD1-NE 2.9Å; D30-R34 IonicContact OD1-NH2 2.64Å; D30-R34 IonicContact OD2-CZ 2.93Å; D30-R34 VanDerWaalsContact OD2-CZ 3.32Å; D30-R34 IonicContact OD2-NE 2.96Å; D30-R34 PolarHBondContact OD2-NE 3.34Å; D30-R34 VanDerWaalsContact OD2-NE 3.11Å; D30-R34 IonicContact OD2-NH2 3.07Å; D30-R34 PolarHBondContact OD2-NH2 2.95Å; K31-R34 PolarHBondContact O-N 2.84Å; G32-R34 VanDerWaalsContact C-N 3.29Å; G32-R34 PolarHBondContact O-N 2.9Å |
| 35 | S | 90.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | trans | -62.8 | 143.3 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | K31 G32 L33 K37 E40 Q41 | K31-S35 PolarHBondContact O-N 3.32Å; G32-S35 WeakPolarHBondContact O-CB 3.2Å; G32-S35 PolarHBondContact O-N 2.95Å; G32-S35 VanDerWaalsContact O-N 3.12Å; L33-S35 VanDerWaalsContact C-N 3.28Å; L33-S35 PolarHBondContact O-N 3.41Å; S35-K37 PolarHBondContact O-N 3.48Å; S35-K37 PolarHBondContact OG-N 2.82Å; S35-E40 VanDerWaalsContact CB-OE2 3.27Å; S35-E40 WeakPolarHBondContact CB-OE2 3.38Å; S35-E40 PolarHBondContact OG-OE2 2.98Å; S35-Q41 VanDerWaalsContact O-CD 3.25Å; S35-Q41 WeakPolarHBondContact O-CG 3.43Å; S35-Q41 PolarHBondContact O-NE2 2.95Å | ||
| 36 | G | 84.8 | Confident | 91.8 | Very high | 86 Ų | 86 | 56.2 Ų | 56.2 | 89% | 0.887 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -73.3 | -6.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 37 | K | 91.7 | Very high | 92 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | trans | -99.1 | 121.6 | -178.8 | -63.3 | -177.6 | -161.1 | 156.3 | 0 | 111.2 | S35 G39 E40 Q41 | S35-K37 PolarHBondContact O-N 3.48Å; S35-K37 PolarHBondContact OG-N 2.82Å; K37-G39 VanDerWaalsContact C-N 3.26Å; K37-G39 PolarHBondContact O-N 3.49Å; K37-E40 HydrophobicContact CB-CB 4.36Å; K37-E40 HydrophobicContact CB-CG 4.12Å; K37-E40 HydrophobicContact CD-CG 4.32Å; K37-E40 WeakPolarHBondContact CD-OE1 3.37Å; K37-E40 IonicContact NZ-OE1 3.13Å; K37-E40 PolarHBondContact NZ-OE1 3.19Å; K37-E40 PolarHBondContact O-N 3.35Å; K37-E40 VanDerWaalsContact O-N 3.09Å; K37-Q41 PolarHBondContact O-N 2.69Å | ||
| 38 | L | 91.5 | Very high | 92.2 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -53.4 | -40.9 | 178.8 | -176.6 | 61.9 | 0 | 0 | 0 | 113.1 | E40 Q41 C42 N76 L79 | L38-E40 PolarHBondContact O-N 3.1Å; L38-Q41 PolarHBondContact O-N 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.08Å; L38-C42 PolarHBondContact O-N 3.16Å; L38-C42 PolarHBondContact O-SG 3.28Å; L38-N76 WeakPolarHBondContact CD1-ND2 3.48Å; L38-L79 HydrophobicContact CD1-CD1 3.78Å; L38-L79 HydrophobicContact CD1-CD2 4.04Å; L38-L79 HydrophobicContact CD1-CG 3.66Å |
| 39 | G | 91.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K37 E43 | K37-G39 VanDerWaalsContact C-N 3.26Å; K37-G39 PolarHBondContact O-N 3.49Å; G39-E43 WeakPolarHBondContact O-CB 3.33Å; G39-E43 PolarHBondContact O-N 3.31Å |
| 40 | E | 92.5 | Very high | 92.3 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.229 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.8 | -37.4 | 178.9 | -64.2 | -177.4 | -173.1 | 0 | 0 | 111.1 | L3 S35 K37 L38 A44 | L3-E40 HydrophobicContact CD1-CB 3.73Å; L3-E40 HydrophobicContact CD1-CG 3.54Å; S35-E40 VanDerWaalsContact CB-OE2 3.27Å; S35-E40 WeakPolarHBondContact CB-OE2 3.38Å; S35-E40 PolarHBondContact OG-OE2 2.98Å; K37-E40 HydrophobicContact CB-CB 4.36Å; K37-E40 HydrophobicContact CB-CG 4.12Å; K37-E40 HydrophobicContact CD-CG 4.32Å; K37-E40 WeakPolarHBondContact CD-OE1 3.37Å; K37-E40 IonicContact NZ-OE1 3.13Å; K37-E40 PolarHBondContact NZ-OE1 3.19Å; K37-E40 PolarHBondContact O-N 3.35Å; K37-E40 VanDerWaalsContact O-N 3.09Å; L38-E40 PolarHBondContact O-N 3.1Å; E40-A44 WeakPolarHBondContact O-CB 3.49Å; E40-A44 PolarHBondContact O-N 3.25Å |
| 41 | Q | 93.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 174.4 | -65.1 | -178.5 | -46.7 | 0 | 0 | 111.6 | L33 S35 K37 L38 A44 V45 L79 | L33-Q41 PolarHBondContact O-NE2 2.9Å; S35-Q41 VanDerWaalsContact O-CD 3.25Å; S35-Q41 WeakPolarHBondContact O-CG 3.43Å; S35-Q41 PolarHBondContact O-NE2 2.95Å; K37-Q41 PolarHBondContact O-N 2.69Å; L38-Q41 PolarHBondContact O-N 3.26Å; Q41-A44 PolarHBondContact O-N 3.48Å; Q41-V45 WeakPolarHBondContact O-CG2 3.46Å; Q41-V45 PolarHBondContact O-N 3.41Å; Q41-L79 HydrophobicContact CB-CD1 4.49Å; Q41-L79 HydrophobicContact CB-CD2 3.83Å |
| 42 | C | 93.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 178 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | L38 A44 V45 V46 F78 L79 | L38-C42 WeakPolarHBondContact O-CB 3.08Å; L38-C42 PolarHBondContact O-N 3.16Å; L38-C42 PolarHBondContact O-SG 3.28Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 3.06Å; C42-V45 PolarHBondContact O-N 3.37Å; C42-V46 WeakPolarHBondContact O-CG2 3.21Å; C42-V46 PolarHBondContact O-N 3.06Å; C42-F78 HydrophobicContact CB-CE1 4.29Å; C42-F78 WeakPolarHBondContact SG-CD1 3.29Å; C42-F78 WeakPolarHBondContact SG-CE1 3.47Å; C42-L79 WeakPolarHBondContact SG-CD2 3.29Å |
| 43 | E | 92.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 175.1 | -179 | 167.9 | -147.4 | 0 | 0 | 111.3 | R7 G39 V45 V46 L47 | R7-E43 IonicContact CZ-OE1 3.49Å; R7-E43 IonicContact NE-OE1 3.02Å; R7-E43 PolarHBondContact NE-OE1 2.95Å; R7-E43 IonicContact NH2-OE1 3.08Å; R7-E43 PolarHBondContact NH2-OE1 2.91Å; G39-E43 WeakPolarHBondContact O-CB 3.33Å; G39-E43 PolarHBondContact O-N 3.31Å; E43-V45 PolarHBondContact O-N 2.91Å; E43-V46 VanDerWaalsContact O-CG2 3.28Å; E43-V46 WeakPolarHBondContact O-CG2 3.5Å; E43-V46 PolarHBondContact O-N 3.19Å; E43-L47 HydrophobicContact CG-CD1 4.32Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.28Å |
| 44 | A | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L29 L33 E40 Q41 C42 V46 L47 F48 | L29-A44 HydrophobicContact CD2-CB 4.38Å; L33-A44 HydrophobicContact CD2-CB 3.9Å; L33-A44 HydrophobicContact CG-CB 4.23Å; E40-A44 WeakPolarHBondContact O-CB 3.49Å; E40-A44 PolarHBondContact O-N 3.25Å; Q41-A44 PolarHBondContact O-N 3.48Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 3.06Å; A44-V46 PolarHBondContact O-N 3.13Å; A44-L47 PolarHBondContact O-N 3.38Å; A44-F48 WeakPolarHBondContact O-CD2 3.47Å; A44-F48 WeakPolarHBondContact O-CE2 3.4Å |
| 45 | V | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L33 Q41 C42 E43 L47 F48 L68 I71 C82 V83 V86 | L33-V45 HydrophobicContact CD2-CG2 3.58Å; Q41-V45 WeakPolarHBondContact O-CG2 3.46Å; Q41-V45 PolarHBondContact O-N 3.41Å; C42-V45 PolarHBondContact O-N 3.37Å; E43-V45 PolarHBondContact O-N 2.91Å; V45-L47 PolarHBondContact O-N 3.36Å; V45-L47 VanDerWaalsContact O-N 3.17Å; V45-F48 WeakPolarHBondContact O-CD2 3.32Å; V45-F48 PolarHBondContact O-N 2.77Å; V45-L68 HydrophobicContact CG1-CD2 4.23Å; V45-L68 HydrophobicContact CG2-CD2 4.26Å; V45-I71 HydrophobicContact CG2-CG2 4.4Å; V45-C82 HydrophobicContact CB-CB 4.42Å; V45-C82 HydrophobicContact CG1-CB 3.72Å; V45-V83 HydrophobicContact CG1-CG2 3.94Å; V45-V83 HydrophobicContact CG2-CG2 4.22Å; V45-V86 HydrophobicContact CG1-CG2 3.76Å; V45-V86 VanDerWaalsContact O-CG2 3.28Å; V45-V86 WeakPolarHBondContact O-CG2 3.41Å |
| 46 | V | 93.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 43.5 Ų | 43.5 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.1 | -8.8 | -175.5 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | C42 E43 A44 P49 | C42-V46 WeakPolarHBondContact O-CG2 3.21Å; C42-V46 PolarHBondContact O-N 3.06Å; E43-V46 VanDerWaalsContact O-CG2 3.28Å; E43-V46 WeakPolarHBondContact O-CG2 3.5Å; E43-V46 PolarHBondContact O-N 3.19Å; A44-V46 PolarHBondContact O-N 3.13Å; V46-P49 WeakPolarHBondContact O-CD 3.42Å |
| 47 | L | 94.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -88.3 | -15.6 | 175.2 | -71.1 | 174.5 | 0 | 0 | 0 | 113.6 | A6 L10 L29 E43 A44 V45 K50 L51 | A6-L47 HydrophobicContact CB-CD1 4.24Å; L10-L47 HydrophobicContact CD1-CB 3.87Å; L10-L47 HydrophobicContact CD1-CD1 4.42Å; L10-L47 HydrophobicContact CD1-CD2 4.04Å; L10-L47 HydrophobicContact CD1-CG 4.33Å; L29-L47 HydrophobicContact CD2-CB 3.8Å; L29-L47 HydrophobicContact CD2-CD1 4.01Å; E43-L47 HydrophobicContact CG-CD1 4.32Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.28Å; A44-L47 PolarHBondContact O-N 3.38Å; V45-L47 PolarHBondContact O-N 3.36Å; V45-L47 VanDerWaalsContact O-N 3.17Å; L47-K50 HydrophobicContact CD2-CD 4.3Å; L47-K50 WeakPolarHBondContact O-CB 3.44Å; L47-K50 PolarHBondContact O-N 2.73Å; L47-K50 VanDerWaalsContact O-N 3.14Å; L47-L51 PolarHBondContact O-N 3.36Å |
| 48 | F | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 177.4 | -82.1 | -87.6 | 0 | 0 | 0 | 114.7 | L26 L29 L33 A44 V45 K50 L51 F52 A64 L68 V86 | L26-F48 HydrophobicContact CD1-CE1 3.85Å; L26-F48 HydrophobicContact CD1-CZ 4.44Å; L29-F48 HydrophobicContact CB-CE2 4.15Å; L29-F48 HydrophobicContact CB-CZ 3.95Å; L29-F48 HydrophobicContact CD1-CD1 4.34Å; L29-F48 HydrophobicContact CD1-CD2 4.35Å; L29-F48 HydrophobicContact CD1-CE1 4.27Å; L29-F48 HydrophobicContact CD1-CE2 4.29Å; L29-F48 HydrophobicContact CD1-CG 4.39Å; L29-F48 HydrophobicContact CD1-CZ 4.26Å; L33-F48 HydrophobicContact CD1-CE2 3.81Å; L33-F48 HydrophobicContact CD1-CZ 3.74Å; L33-F48 HydrophobicContact CD2-CE2 4.19Å; L33-F48 HydrophobicContact CG-CE2 4.17Å; L33-F48 HydrophobicContact CG-CZ 4.46Å; A44-F48 WeakPolarHBondContact O-CD2 3.47Å; A44-F48 WeakPolarHBondContact O-CE2 3.4Å; V45-F48 WeakPolarHBondContact O-CD2 3.32Å; V45-F48 PolarHBondContact O-N 2.77Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 2.57Å; F48-L51 HydrophobicContact CD1-CD2 4.19Å; F48-L51 HydrophobicContact CE1-CD2 4.4Å; F48-L51 WeakPolarHBondContact O-CA 3.46Å; F48-L51 WeakPolarHBondContact O-CB 3.32Å; F48-L51 PolarHBondContact O-N 3.18Å; F48-F52 HydrophobicContact CB-CE2 4.02Å; F48-F52 HydrophobicContact CB-CZ 4.05Å; F48-F52 HydrophobicContact CD1-CE1 4.17Å; F48-F52 AromaticContact CD1-CZ 3.98Å; F48-F52 HydrophobicContact CD1-CZ 3.98Å; F48-F52 HydrophobicContact CG-CZ 4.45Å; F48-F52 WeakPolarHBondContact O-CD2 3.24Å; F48-F52 VanDerWaalsContact O-CG 3.26Å; F48-F52 WeakPolarHBondContact O-CG 3.47Å; F48-F52 PolarHBondContact O-N 2.93Å; F48-A64 HydrophobicContact CD1-CB 3.74Å; F48-A64 HydrophobicContact CE1-CB 3.58Å; F48-L68 HydrophobicContact CB-CD1 4.34Å; F48-L68 HydrophobicContact CD1-CD1 4.33Å; F48-L68 HydrophobicContact CD2-CD2 3.81Å; F48-L68 HydrophobicContact CD2-CG 4.42Å; F48-L68 HydrophobicContact CE2-CD2 3.98Å; F48-L68 HydrophobicContact CG-CD1 4.16Å; F48-L68 HydrophobicContact CG-CD2 4.22Å; F48-L68 HydrophobicContact CG-CG 4.41Å; F48-V86 HydrophobicContact CB-CG1 4.05Å |
| 49 | P | 93.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.6 | -39.7 | 174.6 | -26.9 | 34.8 | 0 | 0 | 0 | 113.1 | V46 F52 Q53 V86 Q89 | V46-P49 WeakPolarHBondContact O-CD 3.42Å; P49-F52 PolarHBondContact O-N 2.97Å; P49-Q53 VanDerWaalsContact O-CG 3.32Å; P49-Q53 WeakPolarHBondContact O-CG 3.23Å; P49-Q53 PolarHBondContact O-N 2.97Å; P49-V86 HydrophobicContact CG-CB 4.32Å; P49-V86 HydrophobicContact CG-CG1 3.98Å; P49-V86 HydrophobicContact CG-CG2 4Å; P49-Q89 HydrophobicContact CB-CG 4.37Å |
| 50 | K | 89.1 | Confident | 89.4 | Confident | 104 Ų | 104 | 35.6 Ų | 35.6 | 45% | 0.452 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 176 | -66.9 | -172.5 | 174.7 | -168.8 | 0 | 111.7 | L10 L47 F48 F52 Q53 K54 | L10-K50 HydrophobicContact CB-CB 4.33Å; L10-K50 HydrophobicContact CB-CD 4.04Å; L10-K50 HydrophobicContact CD1-CB 4.21Å; L10-K50 HydrophobicContact CD2-CB 4.2Å; L10-K50 HydrophobicContact CG-CB 4.49Å; L47-K50 HydrophobicContact CD2-CD 4.3Å; L47-K50 WeakPolarHBondContact O-CB 3.44Å; L47-K50 PolarHBondContact O-N 2.73Å; L47-K50 VanDerWaalsContact O-N 3.14Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 2.57Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-F52 PolarHBondContact O-N 3.48Å; K50-Q53 PolarHBondContact O-N 2.91Å; K50-K54 WeakPolarHBondContact O-CB 3.13Å; K50-K54 PolarHBondContact O-N 3.4Å |
| 51 | L | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 173.9 | -172.9 | 80.5 | 0 | 0 | 0 | 111 | A25 L26 L29 L47 F48 K54 Y55 L60 | A25-L51 HydrophobicContact CB-CD1 3.66Å; L26-L51 HydrophobicContact CD1-CD2 4.1Å; L29-L51 HydrophobicContact CD1-CB 4.27Å; L29-L51 HydrophobicContact CD1-CD2 4.1Å; L47-L51 PolarHBondContact O-N 3.36Å; F48-L51 HydrophobicContact CD1-CD2 4.19Å; F48-L51 HydrophobicContact CE1-CD2 4.4Å; F48-L51 WeakPolarHBondContact O-CA 3.46Å; F48-L51 WeakPolarHBondContact O-CB 3.32Å; F48-L51 PolarHBondContact O-N 3.18Å; L51-K54 PolarHBondContact O-N 3.07Å; L51-Y55 HydrophobicContact CD1-CD2 3.89Å; L51-Y55 HydrophobicContact CD1-CE2 4.29Å; L51-Y55 HydrophobicContact CG-CD2 4.49Å; L51-Y55 PolarHBondContact O-N 2.64Å; L51-L60 HydrophobicContact CD2-CD2 4.2Å; L51-L60 HydrophobicContact CD2-CG 4.48Å; L51-L60 HydrophobicContact CG-CD2 4.15Å |
| 52 | F | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | -179.9 | -58.3 | -32.9 | 0 | 0 | 0 | 113.2 | F48 P49 K50 Y55 P56 I61 A64 F65 L68 V86 H93 | F48-F52 HydrophobicContact CB-CE2 4.02Å; F48-F52 HydrophobicContact CB-CZ 4.05Å; F48-F52 HydrophobicContact CD1-CE1 4.17Å; F48-F52 AromaticContact CD1-CZ 3.98Å; F48-F52 HydrophobicContact CD1-CZ 3.98Å; F48-F52 HydrophobicContact CG-CZ 4.45Å; F48-F52 WeakPolarHBondContact O-CD2 3.24Å; F48-F52 VanDerWaalsContact O-CG 3.26Å; F48-F52 WeakPolarHBondContact O-CG 3.47Å; F48-F52 PolarHBondContact O-N 2.93Å; P49-F52 PolarHBondContact O-N 2.97Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-F52 PolarHBondContact O-N 3.48Å; F52-Y55 CarbonylContact O-C 3.52Å; F52-P56 WeakPolarHBondContact O-CA 3.41Å; F52-I61 HydrophobicContact CD1-CG1 3.88Å; F52-I61 HydrophobicContact CE1-CG1 4.35Å; F52-A64 HydrophobicContact CE1-CB 3.46Å; F52-A64 VanDerWaalsContact CE1-CB 3.46Å; F52-A64 HydrophobicContact CZ-CB 3.88Å; F52-F65 HydrophobicContact CE2-CE1 4.46Å; F52-F65 AromaticContact CE2-CE2 3.86Å; F52-F65 HydrophobicContact CE2-CE2 3.86Å; F52-F65 AromaticContact CE2-CZ 3.81Å; F52-F65 HydrophobicContact CE2-CZ 3.81Å; F52-F65 HydrophobicContact CZ-CD2 4.07Å; F52-F65 AromaticContact CZ-CE2 3.84Å; F52-F65 HydrophobicContact CZ-CE2 3.84Å; F52-F65 HydrophobicContact CZ-CZ 4.14Å; F52-L68 HydrophobicContact CZ-CD1 4.21Å; F52-V86 HydrophobicContact CE2-CG1 4.34Å; F52-H93 VanDerWaalsContact CB-CD2 3.42Å; F52-H93 WeakPolarHBondContact CB-CD2 3.39Å |
| 53 | Q | 84.2 | Confident | 89.3 | Confident | 115 Ų | 115 | 33.3 Ų | 33.3 | 54% | 0.537 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.3 | -72.8 | 175.2 | 2.4 | 0 | 0 | 111.8 | P49 K50 | P49-Q53 VanDerWaalsContact O-CG 3.32Å; P49-Q53 WeakPolarHBondContact O-CG 3.23Å; P49-Q53 PolarHBondContact O-N 2.97Å; K50-Q53 PolarHBondContact O-N 2.91Å |
| 54 | K | 82.5 | Confident | 89.4 | Confident | 74 Ų | 74 | 31.3 Ų | 31.3 | 32% | 0.322 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -73.7 | -39.1 | -179.7 | -168.8 | 168.9 | 178.7 | 171.3 | 0 | 112.3 | F9 L10 K50 L51 | F9-K54 PolarHBondContact O-NZ 3.35Å; L10-K54 HydrophobicContact CD2-CD 4.41Å; K50-K54 WeakPolarHBondContact O-CB 3.13Å; K50-K54 PolarHBondContact O-N 3.4Å; L51-K54 PolarHBondContact O-N 3.07Å |
| 55 | Y | 83.9 | Confident | 89.6 | Confident | 22 Ų | 22 | 31.3 Ų | 31.3 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | trans | -129.8 | 78.3 | -174.9 | -55.1 | -74.1 | 0 | 0 | 0 | 111.5 | L20 A22 L51 F52 F57 L60 | L20-Y55 PolarHBondContact O-OH 3.21Å; A22-Y55 HydrophobicContact CB-CD1 3.67Å; A22-Y55 HydrophobicContact CB-CD2 4.13Å; A22-Y55 HydrophobicContact CB-CE1 4.01Å; A22-Y55 HydrophobicContact CB-CE2 4.45Å; A22-Y55 HydrophobicContact CB-CG 3.72Å; L51-Y55 HydrophobicContact CD1-CD2 3.89Å; L51-Y55 HydrophobicContact CD1-CE2 4.29Å; L51-Y55 HydrophobicContact CG-CD2 4.49Å; L51-Y55 PolarHBondContact O-N 2.64Å; F52-Y55 CarbonylContact O-C 3.52Å; Y55-F57 HydrophobicContact CD1-CE2 4.26Å; Y55-F57 PolarHBondContact O-N 3.39Å; Y55-L60 HydrophobicContact CD2-CD2 4.46Å; Y55-L60 HydrophobicContact CG-CD2 4.22Å; Y55-L60 WeakPolarHBondContact O-CD2 3.37Å | ||
| 56 | P | 83.1 | Confident | 89.6 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.065 | 16% | 0.163 | C | C | . | . | trans | -78.8 | 33.7 | -172.3 | 33.3 | -38.3 | 0 | 0 | 0 | 114.3 | F52 K96 V834 | F52-P56 WeakPolarHBondContact O-CA 3.41Å; P56-K96 PolarHBondContact O-NZ 3.13Å; P56-V834 HydrophobicContact CB-CG1 4.05Å; P56-V834 HydrophobicContact CG-CB 4.47Å; P56-V834 HydrophobicContact CG-CG1 3.78Å; P56-V834 WeakPolarHBondContact O-CG2 3.47Å | ||
| 57 | F | 81.6 | Confident | 89.8 | Confident | 53 Ų | 53 | 31 Ų | 31 | 23% | 0.232 | 15% | 0.15 | C | C | . | . | trans | -84.8 | 134.4 | -175.4 | -59 | -65 | 0 | 0 | 0 | 112.3 | Y55 I59 L60 I61 K805 | Y55-F57 HydrophobicContact CD1-CE2 4.26Å; Y55-F57 PolarHBondContact O-N 3.39Å; F57-I59 VanDerWaalsContact C-N 3.35Å; F57-I59 PolarHBondContact O-N 3.2Å; F57-L60 HydrophobicContact CB-CB 4.34Å; F57-L60 PolarHBondContact O-N 2.92Å; F57-I61 WeakPolarHBondContact O-CB 3.38Å; F57-I61 WeakPolarHBondContact O-CG1 3.18Å; F57-I61 PolarHBondContact O-N 3.45Å; F57-K805 HydrophobicContact CE1-CD 3.92Å; F57-K805 HydrophobicContact CE1-CG 4.33Å; F57-K805 HydrophobicContact CZ-CD 3.77Å | ||
| 58 | P | 82.5 | Confident | 89.9 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 5% | 0.045 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56 | -42.6 | -177.8 | -25.7 | 32.6 | 0 | 0 | 0 | 114.3 | L60 I61 N62 K96 L98 Y888 | P58-L60 PolarHBondContact O-N 3.41Å; P58-I61 PolarHBondContact O-N 3.33Å; P58-N62 WeakPolarHBondContact O-CB 3.45Å; P58-N62 PolarHBondContact O-N 3.41Å; P58-K96 HydrophobicContact CB-CB 4.44Å; P58-L98 HydrophobicContact CB-CD2 4.21Å; P58-L98 HydrophobicContact CB-CG 4.43Å; P58-Y888 HydrophobicContact CG-CD2 3.95Å; P58-Y888 HydrophobicContact CG-CE2 3.2Å |
| 59 | I | 83.9 | Confident | 90 | Very high | 107 Ų | 107 | 30.2 Ų | 30.2 | 55% | 0.549 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.6 | -44.3 | -178.4 | -60 | 169.2 | 0 | 0 | 0 | 111 | F57 S63 | F57-I59 VanDerWaalsContact C-N 3.35Å; F57-I59 PolarHBondContact O-N 3.2Å; I59-S63 WeakPolarHBondContact O-CB 3.38Å; I59-S63 PolarHBondContact O-N 3.33Å; I59-S63 PolarHBondContact O-OG 3.06Å |
| 60 | L | 88.8 | Confident | 90.2 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -48.8 | 178.1 | -172.8 | 80.4 | 0 | 0 | 0 | 110.9 | A22 L26 L51 Y55 F57 P58 N62 S63 A64 | A22-L60 HydrophobicContact CB-CD1 4.15Å; A22-L60 HydrophobicContact CB-CD2 4.06Å; L26-L60 HydrophobicContact CB-CD1 3.88Å; L26-L60 HydrophobicContact CD2-CD1 3.71Å; L26-L60 HydrophobicContact CG-CD1 4.34Å; L51-L60 HydrophobicContact CD2-CD2 4.2Å; L51-L60 HydrophobicContact CD2-CG 4.48Å; L51-L60 HydrophobicContact CG-CD2 4.15Å; Y55-L60 HydrophobicContact CD2-CD2 4.46Å; Y55-L60 HydrophobicContact CG-CD2 4.22Å; Y55-L60 WeakPolarHBondContact O-CD2 3.37Å; F57-L60 HydrophobicContact CB-CB 4.34Å; F57-L60 PolarHBondContact O-N 2.92Å; P58-L60 PolarHBondContact O-N 3.41Å; L60-N62 PolarHBondContact O-N 3.3Å; L60-S63 PolarHBondContact O-N 2.9Å; L60-A64 VanDerWaalsContact O-CB 3.3Å; L60-A64 WeakPolarHBondContact O-CB 3.28Å; L60-A64 PolarHBondContact O-N 2.94Å |
| 61 | I | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | -179.5 | -71.4 | 172.8 | 0 | 0 | 0 | 110.4 | F52 F57 P58 S63 A64 F65 H93 K96 | F52-I61 HydrophobicContact CD1-CG1 3.88Å; F52-I61 HydrophobicContact CE1-CG1 4.35Å; F57-I61 WeakPolarHBondContact O-CB 3.38Å; F57-I61 WeakPolarHBondContact O-CG1 3.18Å; F57-I61 PolarHBondContact O-N 3.45Å; P58-I61 PolarHBondContact O-N 3.33Å; I61-S63 PolarHBondContact O-N 3.26Å; I61-A64 PolarHBondContact O-N 2.85Å; I61-F65 HydrophobicContact CG2-CD2 3.51Å; I61-F65 HydrophobicContact CG2-CE2 3.64Å; I61-F65 WeakPolarHBondContact O-CD2 3.4Å; I61-F65 PolarHBondContact O-N 2.86Å; I61-H93 HydrophobicContact CD1-CB 4.13Å; I61-H93 HydrophobicContact CG2-CB 4.41Å; I61-K96 HydrophobicContact CB-CB 4.35Å; I61-K96 HydrophobicContact CD1-CB 4.04Å; I61-K96 HydrophobicContact CD1-CD 3.44Å; I61-K96 VanDerWaalsContact CD1-CD 3.44Å; I61-K96 HydrophobicContact CD1-CG 4.35Å; I61-K96 HydrophobicContact CG2-CB 4.05Å |
| 62 | N | 92.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.6 | -50 | 174.8 | -179.7 | 62.9 | 0 | 0 | 0 | 111.4 | P58 L60 A64 F65 L66 L98 N99 | P58-N62 WeakPolarHBondContact O-CB 3.45Å; P58-N62 PolarHBondContact O-N 3.41Å; L60-N62 PolarHBondContact O-N 3.3Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-A64 PolarHBondContact O-N 3.13Å; N62-F65 PolarHBondContact O-N 3.45Å; N62-L66 WeakPolarHBondContact O-CB 3.26Å; N62-L66 VanDerWaalsContact O-CG 3.27Å; N62-L66 WeakPolarHBondContact O-CG 3.42Å; N62-L66 PolarHBondContact O-N 2.98Å; N62-L98 HydrophobicContact CB-CB 4.27Å; N62-L98 HydrophobicContact CB-CD1 4.43Å; N62-L98 HydrophobicContact CB-CG 4.15Å; N62-L98 PolarHBondContact OD1-N 3.06Å; N62-N99 PolarHBondContact OD1-N 3.07Å |
| 63 | S | 93.8 | Very high | 91.2 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.5 | -41.6 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | I59 L60 I61 K67 | I59-S63 WeakPolarHBondContact O-CB 3.38Å; I59-S63 PolarHBondContact O-N 3.33Å; I59-S63 PolarHBondContact O-OG 3.06Å; L60-S63 PolarHBondContact O-N 2.9Å; I61-S63 PolarHBondContact O-N 3.26Å; S63-K67 WeakPolarHBondContact O-CG 3.42Å; S63-K67 PolarHBondContact O-N 3.03Å |
| 64 | A | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L26 F48 F52 L60 I61 N62 L66 K67 L68 | L26-A64 HydrophobicContact CD1-CB 4.01Å; F48-A64 HydrophobicContact CD1-CB 3.74Å; F48-A64 HydrophobicContact CE1-CB 3.58Å; F52-A64 HydrophobicContact CE1-CB 3.46Å; F52-A64 VanDerWaalsContact CE1-CB 3.46Å; F52-A64 HydrophobicContact CZ-CB 3.88Å; L60-A64 VanDerWaalsContact O-CB 3.3Å; L60-A64 WeakPolarHBondContact O-CB 3.28Å; L60-A64 PolarHBondContact O-N 2.94Å; I61-A64 PolarHBondContact O-N 2.85Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-A64 PolarHBondContact O-N 3.13Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.27Å; A64-K67 WeakPolarHBondContact O-CB 3.48Å; A64-K67 PolarHBondContact O-N 3.2Å; A64-L68 WeakPolarHBondContact O-CG 3.35Å; A64-L68 PolarHBondContact O-N 3.45Å |
| 65 | F | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 176.2 | -87.4 | -69.6 | 0 | 0 | 0 | 112.1 | F52 I61 N62 K67 L68 A69 T87 L94 I97 F103 | F52-F65 HydrophobicContact CE2-CE1 4.46Å; F52-F65 AromaticContact CE2-CE2 3.86Å; F52-F65 HydrophobicContact CE2-CE2 3.86Å; F52-F65 AromaticContact CE2-CZ 3.81Å; F52-F65 HydrophobicContact CE2-CZ 3.81Å; F52-F65 HydrophobicContact CZ-CD2 4.07Å; F52-F65 AromaticContact CZ-CE2 3.84Å; F52-F65 HydrophobicContact CZ-CE2 3.84Å; F52-F65 HydrophobicContact CZ-CZ 4.14Å; I61-F65 HydrophobicContact CG2-CD2 3.51Å; I61-F65 HydrophobicContact CG2-CE2 3.64Å; I61-F65 WeakPolarHBondContact O-CD2 3.4Å; I61-F65 PolarHBondContact O-N 2.86Å; N62-F65 PolarHBondContact O-N 3.45Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 3Å; F65-L68 HydrophobicContact CD1-CD1 4.13Å; F65-L68 HydrophobicContact CE1-CD1 4.37Å; F65-L68 PolarHBondContact O-N 3.39Å; F65-A69 WeakPolarHBondContact O-CB 3.38Å; F65-A69 PolarHBondContact O-N 3.27Å; F65-T87 HydrophobicContact CE1-CG2 4.41Å; F65-L94 HydrophobicContact CE1-CD2 3.73Å; F65-L94 HydrophobicContact CE2-CD2 4.16Å; F65-L94 HydrophobicContact CZ-CD2 3.49Å; F65-L94 VanDerWaalsContact CZ-CD2 3.49Å; F65-I97 HydrophobicContact CB-CD1 3.89Å; F65-I97 HydrophobicContact CB-CG1 4.04Å; F65-I97 HydrophobicContact CD1-CD1 4.06Å; F65-I97 HydrophobicContact CD2-CD1 3.66Å; F65-I97 HydrophobicContact CD2-CG1 3.61Å; F65-I97 HydrophobicContact CE2-CD1 4.17Å; F65-I97 HydrophobicContact CE2-CG1 4.27Å; F65-I97 HydrophobicContact CG-CD1 3.61Å; F65-I97 HydrophobicContact CG-CG1 3.94Å; F65-F103 HydrophobicContact CB-CD2 3.99Å; F65-F103 HydrophobicContact CB-CE2 3.84Å; F65-F103 AromaticContact CD1-CE2 3.89Å; F65-F103 HydrophobicContact CD1-CE2 3.89Å; F65-F103 AromaticContact CD1-CZ 4Å; F65-F103 HydrophobicContact CD1-CZ 4Å; F65-F103 HydrophobicContact CG-CE2 4.31Å; F65-F103 VanDerWaalsContact O-CD2 3.29Å; F65-F103 WeakPolarHBondContact O-CD2 3.49Å; F65-F103 VanDerWaalsContact O-CE2 3.23Å; F65-F103 WeakPolarHBondContact O-CE2 3.24Å |
| 66 | L | 96.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 34 Ų | 34 | 13% | 0.131 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 173.6 | -72.5 | 173.1 | 0 | 0 | 0 | 112.3 | N62 A64 A69 D70 N99 E102 F103 R106 | N62-L66 WeakPolarHBondContact O-CB 3.26Å; N62-L66 VanDerWaalsContact O-CG 3.27Å; N62-L66 WeakPolarHBondContact O-CG 3.42Å; N62-L66 PolarHBondContact O-N 2.98Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.27Å; L66-A69 PolarHBondContact O-N 3.4Å; L66-D70 PolarHBondContact O-N 3.19Å; L66-D70 VanDerWaalsContact O-N 3.11Å; L66-N99 HydrophobicContact CD1-CB 4.22Å; L66-N99 HydrophobicContact CD2-CB 4.31Å; L66-E102 HydrophobicContact CD2-CB 4.34Å; L66-E102 HydrophobicContact CD2-CG 4.17Å; L66-F103 HydrophobicContact CD2-CB 4.11Å; L66-R106 PolarHBondContact O-NH1 3.06Å |
| 67 | K | 96.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 173.3 | -70.3 | 173.3 | 180 | -60.5 | 0 | 112.1 | L26 D30 L33 S63 A64 F65 A69 D70 I71 | L26-K67 HydrophobicContact CD1-CD 4.21Å; D30-K67 HydrophobicContact CB-CD 4.24Å; D30-K67 WeakPolarHBondContact OD1-CD 3.4Å; D30-K67 IonicContact OD1-NZ 3.89Å; D30-K67 PolarHBondContact OD1-NZ 2.98Å; D30-K67 IonicContact OD2-NZ 3.66Å; D30-K67 PolarHBondContact OD2-NZ 3.32Å; L33-K67 HydrophobicContact CD1-CB 4.15Å; S63-K67 WeakPolarHBondContact O-CG 3.42Å; S63-K67 PolarHBondContact O-N 3.03Å; A64-K67 WeakPolarHBondContact O-CB 3.48Å; A64-K67 PolarHBondContact O-N 3.2Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 3Å; K67-A69 VanDerWaalsContact C-N 3.28Å; K67-A69 PolarHBondContact O-N 3.41Å; K67-D70 WeakPolarHBondContact O-CB 3.38Å; K67-D70 PolarHBondContact O-N 3.06Å; K67-I71 WeakPolarHBondContact O-CG1 3.31Å; K67-I71 PolarHBondContact O-N 2.81Å; K67-I71 VanDerWaalsContact O-N 3.1Å |
| 68 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 175.1 | -72.2 | 172.5 | 0 | 0 | 0 | 111.7 | V45 F48 F52 A64 F65 I71 F72 V83 V86 | V45-L68 HydrophobicContact CG1-CD2 4.23Å; V45-L68 HydrophobicContact CG2-CD2 4.26Å; F48-L68 HydrophobicContact CB-CD1 4.34Å; F48-L68 HydrophobicContact CD1-CD1 4.33Å; F48-L68 HydrophobicContact CD2-CD2 3.81Å; F48-L68 HydrophobicContact CD2-CG 4.42Å; F48-L68 HydrophobicContact CE2-CD2 3.98Å; F48-L68 HydrophobicContact CG-CD1 4.16Å; F48-L68 HydrophobicContact CG-CD2 4.22Å; F48-L68 HydrophobicContact CG-CG 4.41Å; F52-L68 HydrophobicContact CZ-CD1 4.21Å; A64-L68 WeakPolarHBondContact O-CG 3.35Å; A64-L68 PolarHBondContact O-N 3.45Å; F65-L68 HydrophobicContact CD1-CD1 4.13Å; F65-L68 HydrophobicContact CE1-CD1 4.37Å; F65-L68 PolarHBondContact O-N 3.39Å; L68-I71 PolarHBondContact O-N 3.36Å; L68-F72 WeakPolarHBondContact O-CB 3.39Å; L68-F72 PolarHBondContact O-N 2.77Å; L68-V83 HydrophobicContact CB-CG1 3.96Å; L68-V83 HydrophobicContact CD2-CG1 4.48Å; L68-V83 HydrophobicContact CD2-CG2 4.11Å; L68-V86 HydrophobicContact CD1-CG1 3.97Å |
| 69 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -34.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F65 L66 K67 F72 R73 F103 R106 V107 | F65-A69 WeakPolarHBondContact O-CB 3.38Å; F65-A69 PolarHBondContact O-N 3.27Å; L66-A69 PolarHBondContact O-N 3.4Å; K67-A69 VanDerWaalsContact C-N 3.28Å; K67-A69 PolarHBondContact O-N 3.41Å; A69-F72 PolarHBondContact O-N 3Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 PolarHBondContact O-N 3.47Å; A69-F103 HydrophobicContact CB-CD2 3.49Å; A69-F103 VanDerWaalsContact CB-CD2 3.49Å; A69-F103 HydrophobicContact CB-CE2 3.69Å; A69-F103 HydrophobicContact CB-CG 4.42Å; A69-R106 HydrophobicContact CB-CB 3.87Å; A69-V107 HydrophobicContact CB-CG2 4.29Å |
| 70 | D | 96.1 | Very high | 95.3 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 172.6 | -76.6 | -40.8 | 0 | 0 | 0 | 111.6 | L66 K67 R73 L74 R106 | L66-D70 PolarHBondContact O-N 3.19Å; L66-D70 VanDerWaalsContact O-N 3.11Å; K67-D70 WeakPolarHBondContact O-CB 3.38Å; K67-D70 PolarHBondContact O-N 3.06Å; D70-R73 PolarHBondContact O-N 2.94Å; D70-R73 IonicContact OD1-CZ 3.34Å; D70-R73 IonicContact OD1-NH2 2.98Å; D70-R73 PolarHBondContact OD1-NH2 2.78Å; D70-L74 PolarHBondContact O-N 3.21Å; D70-L74 VanDerWaalsContact O-N 3.09Å; D70-R106 IonicContact OD1-CZ 2.63Å; D70-R106 IonicContact OD1-NE 3.09Å; D70-R106 IonicContact OD1-NH1 2.85Å; D70-R106 PolarHBondContact OD1-NH1 3.44Å; D70-R106 IonicContact OD2-CZ 2.95Å; D70-R106 IonicContact OD2-NH1 3.95Å; D70-R106 PolarHBondContact OD2-NH1 3.3Å |
| 71 | I | 96.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 174.5 | -62.7 | -66 | 0 | 0 | 0 | 111.5 | L33 V45 K67 L68 R73 G75 L79 V83 | L33-I71 HydrophobicContact CB-CD1 4.03Å; L33-I71 HydrophobicContact CB-CG1 4.3Å; L33-I71 HydrophobicContact CD1-CG1 4.08Å; L33-I71 HydrophobicContact CD2-CD1 4.41Å; L33-I71 HydrophobicContact CD2-CG1 4.07Å; L33-I71 HydrophobicContact CG-CG1 4.37Å; V45-I71 HydrophobicContact CG2-CG2 4.4Å; K67-I71 WeakPolarHBondContact O-CG1 3.31Å; K67-I71 PolarHBondContact O-N 2.81Å; K67-I71 VanDerWaalsContact O-N 3.1Å; L68-I71 PolarHBondContact O-N 3.36Å; I71-R73 VanDerWaalsContact C-N 3.35Å; I71-R73 PolarHBondContact O-N 3.23Å; I71-G75 VanDerWaalsContact O-CA 3.25Å; I71-G75 WeakPolarHBondContact O-CA 3.25Å; I71-G75 PolarHBondContact O-N 3.28Å; I71-L79 HydrophobicContact CG2-CB 4.21Å; I71-L79 HydrophobicContact CG2-CD1 4.38Å; I71-L79 HydrophobicContact CG2-CD2 4.48Å; I71-V83 HydrophobicContact CG2-CG2 4.21Å |
| 72 | F | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.7 | -170.4 | -86.2 | 0 | 0 | 0 | 111.9 | L68 A69 R80 V83 V107 V110 I121 T122 M125 | L68-F72 WeakPolarHBondContact O-CB 3.39Å; L68-F72 PolarHBondContact O-N 2.77Å; A69-F72 PolarHBondContact O-N 3Å; F72-R80 HydrophobicContact CD2-CB 3.93Å; F72-R80 HydrophobicContact CD2-CG 4.03Å; F72-R80 HydrophobicContact CE2-CB 3.75Å; F72-R80 HydrophobicContact CE2-CG 4.12Å; F72-R80 HydrophobicContact CG-CG 4.26Å; F72-R80 HydrophobicContact CZ-CB 4.31Å; F72-R80 HydrophobicContact CZ-CG 4.41Å; F72-R80 VanDerWaalsContact O-CG 3.31Å; F72-R80 WeakPolarHBondContact O-CG 3.44Å; F72-R80 PolarHBondContact O-NE 2.81Å; F72-V83 HydrophobicContact CB-CG1 4.34Å; F72-V83 HydrophobicContact CD2-CB 4.16Å; F72-V83 HydrophobicContact CD2-CG1 4.13Å; F72-V107 HydrophobicContact CD1-CB 4.38Å; F72-V107 HydrophobicContact CD1-CG1 4.27Å; F72-V107 HydrophobicContact CD1-CG2 4.29Å; F72-V107 HydrophobicContact CE1-CG1 3.97Å; F72-V107 HydrophobicContact CZ-CG1 4.49Å; F72-V110 HydrophobicContact CD1-CG2 3.96Å; F72-V110 HydrophobicContact CE1-CB 4.12Å; F72-V110 HydrophobicContact CE1-CG1 4.47Å; F72-V110 HydrophobicContact CE1-CG2 3.97Å; F72-I121 HydrophobicContact CE2-CG2 3.81Å; F72-I121 HydrophobicContact CZ-CG2 4.03Å; F72-T122 HydrophobicContact CE1-CG2 4.33Å; F72-M125 HydrophobicContact CD2-CE 3.72Å; F72-M125 HydrophobicContact CE2-CB 4.23Å; F72-M125 HydrophobicContact CE2-CE 3.7Å; F72-M125 HydrophobicContact CE2-CG 4.38Å; F72-M125 HydrophobicContact CZ-CB 4.1Å; F72-M125 HydrophobicContact CZ-CG 4.42Å |
| 73 | R | 97.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.8 | -52.1 | 179.4 | -179.7 | 172.7 | 61 | 163.2 | -5.6 | 111.8 | A69 D70 I71 R80 S109 | A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 PolarHBondContact O-N 3.47Å; D70-R73 PolarHBondContact O-N 2.94Å; D70-R73 IonicContact OD1-CZ 3.34Å; D70-R73 IonicContact OD1-NH2 2.98Å; D70-R73 PolarHBondContact OD1-NH2 2.78Å; I71-R73 VanDerWaalsContact C-N 3.35Å; I71-R73 PolarHBondContact O-N 3.23Å; R73-R80 PolarHBondContact O-NH2 2.89Å; R73-S109 WeakPolarHBondContact CG-OG 3.38Å |
| 74 | L | 93.9 | Very high | 96.5 | Very high | 139 Ų | 139 | 35.9 Ų | 35.9 | 73% | 0.728 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -93.5 | -19.2 | -170 | -59.9 | 176.3 | 0 | 0 | 0 | 114.5 | D70 | D70-L74 PolarHBondContact O-N 3.21Å; D70-L74 VanDerWaalsContact O-N 3.09Å |
| 75 | G | 92.2 | Very high | 96.6 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.7 | 173.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I71 R80 | I71-G75 VanDerWaalsContact O-CA 3.25Å; I71-G75 WeakPolarHBondContact O-CA 3.25Å; I71-G75 PolarHBondContact O-N 3.28Å; G75-R80 PolarHBondContact O-NH1 3Å; G75-R80 PolarHBondContact O-NH2 3.11Å |
| 76 | N | 94.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | trans | -78.4 | 171.5 | 170.2 | 65.5 | 22.6 | 0 | 0 | 0 | 111.4 | L38 F78 L79 R80 | L38-N76 WeakPolarHBondContact CD1-ND2 3.48Å; N76-F78 PolarHBondContact O-N 3.39Å; N76-F78 VanDerWaalsContact O-N 3.17Å; N76-F78 WeakPolarHBondContact OD1-CB 3.31Å; N76-F78 PolarHBondContact OD1-N 3.09Å; N76-L79 PolarHBondContact O-N 3.32Å; N76-L79 PolarHBondContact OD1-N 3.38Å; N76-R80 WeakPolarHBondContact O-CG 3.22Å; N76-R80 PolarHBondContact O-N 3.1Å | ||
| 77 | N | 96.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -28.7 | -178.6 | -70.9 | -15.1 | 0 | 0 | 0 | 113.8 | R80 L81 D115 V117 I121 | N77-R80 PolarHBondContact O-N 3.49Å; N77-R80 PolarHBondContact OD1-NH1 2.84Å; N77-L81 WeakPolarHBondContact O-CB 3.46Å; N77-L81 PolarHBondContact O-N 2.89Å; N77-D115 PolarHBondContact ND2-OD2 3.33Å; N77-V117 HydrophobicContact CB-CG1 4.39Å; N77-I121 HydrophobicContact CB-CD1 4.05Å; N77-I121 WeakPolarHBondContact O-CD1 3.27Å |
| 78 | F | 96.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 176.5 | -171.9 | -105.6 | 0 | 0 | 0 | 111.6 | C42 N76 R80 L81 C82 | C42-F78 HydrophobicContact CB-CE1 4.29Å; C42-F78 WeakPolarHBondContact SG-CD1 3.29Å; C42-F78 WeakPolarHBondContact SG-CE1 3.47Å; N76-F78 PolarHBondContact O-N 3.39Å; N76-F78 VanDerWaalsContact O-N 3.17Å; N76-F78 WeakPolarHBondContact OD1-CB 3.31Å; N76-F78 PolarHBondContact OD1-N 3.09Å; F78-R80 VanDerWaalsContact C-N 3.35Å; F78-R80 PolarHBondContact O-N 2.93Å; F78-L81 WeakPolarHBondContact O-CB 3.48Å; F78-L81 PolarHBondContact O-N 3.06Å; F78-C82 PolarHBondContact O-N 3.17Å; F78-C82 PolarHBondContact O-SG 2.94Å; F78-C82 VanDerWaalsContact O-SG 3.35Å |
| 79 | L | 96.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.6 | -73.4 | 169.2 | 0 | 0 | 0 | 111.9 | L38 Q41 C42 I71 N76 L81 C82 V83 | L38-L79 HydrophobicContact CD1-CD1 3.78Å; L38-L79 HydrophobicContact CD1-CD2 4.04Å; L38-L79 HydrophobicContact CD1-CG 3.66Å; Q41-L79 HydrophobicContact CB-CD1 4.49Å; Q41-L79 HydrophobicContact CB-CD2 3.83Å; C42-L79 WeakPolarHBondContact SG-CD2 3.29Å; I71-L79 HydrophobicContact CG2-CB 4.21Å; I71-L79 HydrophobicContact CG2-CD1 4.38Å; I71-L79 HydrophobicContact CG2-CD2 4.48Å; N76-L79 PolarHBondContact O-N 3.32Å; N76-L79 PolarHBondContact OD1-N 3.38Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 3.35Å; L79-C82 WeakPolarHBondContact O-CB 3.44Å; L79-C82 PolarHBondContact O-N 3.41Å; L79-C82 VanDerWaalsContact O-N 3.14Å; L79-V83 WeakPolarHBondContact O-CG2 3.25Å; L79-V83 PolarHBondContact O-N 2.84Å |
| 80 | R | 97.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.8 | -42.8 | 175.1 | -68.1 | 178.2 | -177.7 | 120.9 | 3.3 | 111.7 | F72 R73 G75 N76 N77 F78 V83 L84 I121 | F72-R80 HydrophobicContact CD2-CB 3.93Å; F72-R80 HydrophobicContact CD2-CG 4.03Å; F72-R80 HydrophobicContact CE2-CB 3.75Å; F72-R80 HydrophobicContact CE2-CG 4.12Å; F72-R80 HydrophobicContact CG-CG 4.26Å; F72-R80 HydrophobicContact CZ-CB 4.31Å; F72-R80 HydrophobicContact CZ-CG 4.41Å; F72-R80 VanDerWaalsContact O-CG 3.31Å; F72-R80 WeakPolarHBondContact O-CG 3.44Å; F72-R80 PolarHBondContact O-NE 2.81Å; R73-R80 PolarHBondContact O-NH2 2.89Å; G75-R80 PolarHBondContact O-NH1 3Å; G75-R80 PolarHBondContact O-NH2 3.11Å; N76-R80 WeakPolarHBondContact O-CG 3.22Å; N76-R80 PolarHBondContact O-N 3.1Å; N77-R80 PolarHBondContact O-N 3.49Å; N77-R80 PolarHBondContact OD1-NH1 2.84Å; F78-R80 VanDerWaalsContact C-N 3.35Å; F78-R80 PolarHBondContact O-N 2.93Å; R80-V83 PolarHBondContact O-N 3.17Å; R80-L84 WeakPolarHBondContact O-CB 3.17Å; R80-L84 PolarHBondContact O-N 3.35Å; R80-I121 HydrophobicContact CB-CD1 4.32Å; R80-I121 HydrophobicContact CB-CG2 3.79Å |
| 81 | L | 97.6 | Very high | 96.1 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.6 | -178.2 | 62.7 | 0 | 0 | 0 | 111.7 | N77 F78 L79 V83 L84 K85 I121 | N77-L81 WeakPolarHBondContact O-CB 3.46Å; N77-L81 PolarHBondContact O-N 2.89Å; F78-L81 WeakPolarHBondContact O-CB 3.48Å; F78-L81 PolarHBondContact O-N 3.06Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 3.35Å; L81-V83 PolarHBondContact O-N 3.17Å; L81-L84 HydrophobicContact CD1-CD2 4.25Å; L81-L84 WeakPolarHBondContact O-CB 3.36Å; L81-L84 PolarHBondContact O-N 3.12Å; L81-K85 WeakPolarHBondContact O-CG 3.42Å; L81-K85 PolarHBondContact O-N 3Å; L81-I121 HydrophobicContact CB-CD1 4.29Å |
| 82 | C | 97.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.6 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | V45 F78 L79 L84 K85 V86 | V45-C82 HydrophobicContact CB-CB 4.42Å; V45-C82 HydrophobicContact CG1-CB 3.72Å; F78-C82 PolarHBondContact O-N 3.17Å; F78-C82 PolarHBondContact O-SG 2.94Å; F78-C82 VanDerWaalsContact O-SG 3.35Å; L79-C82 WeakPolarHBondContact O-CB 3.44Å; L79-C82 PolarHBondContact O-N 3.41Å; L79-C82 VanDerWaalsContact O-N 3.14Å; C82-L84 PolarHBondContact O-N 2.73Å; C82-K85 PolarHBondContact O-N 3.47Å; C82-V86 WeakPolarHBondContact O-CG2 3.47Å; C82-V86 PolarHBondContact O-N 2.9Å |
| 83 | V | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | V45 L68 I71 F72 L79 R80 L81 K85 V86 T87 M125 | V45-V83 HydrophobicContact CG1-CG2 3.94Å; V45-V83 HydrophobicContact CG2-CG2 4.22Å; L68-V83 HydrophobicContact CB-CG1 3.96Å; L68-V83 HydrophobicContact CD2-CG1 4.48Å; L68-V83 HydrophobicContact CD2-CG2 4.11Å; I71-V83 HydrophobicContact CG2-CG2 4.21Å; F72-V83 HydrophobicContact CB-CG1 4.34Å; F72-V83 HydrophobicContact CD2-CB 4.16Å; F72-V83 HydrophobicContact CD2-CG1 4.13Å; L79-V83 WeakPolarHBondContact O-CG2 3.25Å; L79-V83 PolarHBondContact O-N 2.84Å; R80-V83 PolarHBondContact O-N 3.17Å; L81-V83 PolarHBondContact O-N 3.17Å; V83-K85 VanDerWaalsContact C-N 3.35Å; V83-K85 PolarHBondContact O-N 2.93Å; V83-V86 PolarHBondContact O-N 3.32Å; V83-T87 WeakPolarHBondContact O-CB 3.48Å; V83-T87 PolarHBondContact O-N 2.88Å; V83-T87 PolarHBondContact O-OG1 3.47Å; V83-M125 HydrophobicContact CB-CE 4.46Å; V83-M125 HydrophobicContact CG1-CE 3.78Å |
| 84 | L | 98.1 | Very high | 95 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -47.3 | 171.7 | 171.8 | 63.5 | 0 | 0 | 0 | 111.4 | R80 L81 C82 V86 T87 Q88 I121 R124 M125 | R80-L84 WeakPolarHBondContact O-CB 3.17Å; R80-L84 PolarHBondContact O-N 3.35Å; L81-L84 HydrophobicContact CD1-CD2 4.25Å; L81-L84 WeakPolarHBondContact O-CB 3.36Å; L81-L84 PolarHBondContact O-N 3.12Å; C82-L84 PolarHBondContact O-N 2.73Å; L84-V86 PolarHBondContact O-N 3.13Å; L84-T87 WeakPolarHBondContact O-CB 3.43Å; L84-T87 PolarHBondContact O-N 3.32Å; L84-Q88 HydrophobicContact CD1-CG 4.15Å; L84-Q88 WeakPolarHBondContact O-CG 3.19Å; L84-Q88 PolarHBondContact O-N 3.39Å; L84-I121 HydrophobicContact CB-CG2 4.33Å; L84-I121 HydrophobicContact CD2-CG2 4.16Å; L84-R124 HydrophobicContact CD1-CB 4.06Å; L84-R124 HydrophobicContact CD2-CB 3.59Å; L84-R124 HydrophobicContact CG-CB 4.5Å; L84-M125 HydrophobicContact CB-CE 4.15Å; L84-M125 HydrophobicContact CD1-CB 4.19Å; L84-M125 HydrophobicContact CD1-CE 4.5Å; L84-M125 HydrophobicContact CD1-SD 4.4Å |
| 85 | K | 97.9 | Very high | 94.5 | Very high | 118 Ų | 118 | 45.1 Ų | 45.1 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 179 | -68.9 | -62.5 | 177.6 | -169 | 0 | 112.6 | L81 C82 V83 T87 Q88 Q89 | L81-K85 WeakPolarHBondContact O-CG 3.42Å; L81-K85 PolarHBondContact O-N 3Å; C82-K85 PolarHBondContact O-N 3.47Å; V83-K85 VanDerWaalsContact C-N 3.35Å; V83-K85 PolarHBondContact O-N 2.93Å; K85-T87 VanDerWaalsContact C-N 3.33Å; K85-Q88 PolarHBondContact O-N 3.36Å; K85-Q89 VanDerWaalsContact O-CB 3.31Å; K85-Q89 WeakPolarHBondContact O-CB 3.36Å; K85-Q89 PolarHBondContact O-N 2.86Å |
| 86 | V | 97 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 173.5 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | V45 F48 P49 F52 L68 C82 V83 L84 Q89 S90 | V45-V86 HydrophobicContact CG1-CG2 3.76Å; V45-V86 VanDerWaalsContact O-CG2 3.28Å; V45-V86 WeakPolarHBondContact O-CG2 3.41Å; F48-V86 HydrophobicContact CB-CG1 4.05Å; P49-V86 HydrophobicContact CG-CB 4.32Å; P49-V86 HydrophobicContact CG-CG1 3.98Å; P49-V86 HydrophobicContact CG-CG2 4Å; F52-V86 HydrophobicContact CE2-CG1 4.34Å; L68-V86 HydrophobicContact CD1-CG1 3.97Å; C82-V86 WeakPolarHBondContact O-CG2 3.47Å; C82-V86 PolarHBondContact O-N 2.9Å; V83-V86 PolarHBondContact O-N 3.32Å; L84-V86 PolarHBondContact O-N 3.13Å; V86-Q89 PolarHBondContact O-N 2.59Å; V86-S90 WeakPolarHBondContact O-CB 3.48Å; V86-S90 PolarHBondContact O-N 3.26Å; V86-S90 PolarHBondContact O-OG 2.87Å |
| 87 | T | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | F65 V83 L84 K85 Q89 S90 E91 L94 M125 L129 | F65-T87 HydrophobicContact CE1-CG2 4.41Å; V83-T87 WeakPolarHBondContact O-CB 3.48Å; V83-T87 PolarHBondContact O-N 2.88Å; V83-T87 PolarHBondContact O-OG1 3.47Å; L84-T87 WeakPolarHBondContact O-CB 3.43Å; L84-T87 PolarHBondContact O-N 3.32Å; K85-T87 VanDerWaalsContact C-N 3.33Å; T87-Q89 PolarHBondContact O-N 2.88Å; T87-S90 CarbonylContact O-C 3.57Å; T87-S90 PolarHBondContact O-N 3.27Å; T87-S90 VanDerWaalsContact O-N 3.17Å; T87-E91 PolarHBondContact O-N 2.84Å; T87-L94 HydrophobicContact CG2-CD1 4.29Å; T87-L94 HydrophobicContact CG2-CD2 3.73Å; T87-M125 HydrophobicContact CG2-SD 3.73Å; T87-L129 HydrophobicContact CG2-CD2 3.9Å |
| 88 | Q | 95.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.4 | -72.8 | 178 | -17.3 | 0 | 0 | 112.8 | L84 K85 S90 S128 | L84-Q88 HydrophobicContact CD1-CG 4.15Å; L84-Q88 WeakPolarHBondContact O-CG 3.19Å; L84-Q88 PolarHBondContact O-N 3.39Å; K85-Q88 PolarHBondContact O-N 3.36Å; Q88-S90 VanDerWaalsContact C-N 3.26Å; Q88-S90 PolarHBondContact O-N 2.84Å; Q88-S128 VanDerWaalsContact CG-OG 3.26Å; Q88-S128 WeakPolarHBondContact CG-OG 3.42Å; Q88-S128 PolarHBondContact NE2-OG 3.03Å |
| 89 | Q | 95.3 | Very high | 93.3 | Very high | 127 Ų | 127 | 42.1 Ų | 42.1 | 59% | 0.593 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -69.7 | -25.5 | 177.2 | -175.3 | 178.2 | 3.4 | 0 | 0 | 112.7 | P49 K85 V86 T87 | P49-Q89 HydrophobicContact CB-CG 4.37Å; K85-Q89 VanDerWaalsContact O-CB 3.31Å; K85-Q89 WeakPolarHBondContact O-CB 3.36Å; K85-Q89 PolarHBondContact O-N 2.86Å; V86-Q89 PolarHBondContact O-N 2.59Å; T87-Q89 PolarHBondContact O-N 2.88Å |
| 90 | S | 94 | Very high | 93.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 26.9 | -172.6 | -47.8 | 0 | 0 | 0 | 0 | 112.5 | V86 T87 Q88 K92 H93 | V86-S90 WeakPolarHBondContact O-CB 3.48Å; V86-S90 PolarHBondContact O-N 3.26Å; V86-S90 PolarHBondContact O-OG 2.87Å; T87-S90 CarbonylContact O-C 3.57Å; T87-S90 PolarHBondContact O-N 3.27Å; T87-S90 VanDerWaalsContact O-N 3.17Å; Q88-S90 VanDerWaalsContact C-N 3.26Å; Q88-S90 PolarHBondContact O-N 2.84Å; S90-K92 VanDerWaalsContact C-N 3.28Å; S90-K92 PolarHBondContact O-N 3.4Å; S90-H93 WeakPolarHBondContact O-CB 3.47Å; S90-H93 PolarHBondContact O-N 3.14Å |
| 91 | E | 91.5 | Very high | 93.1 | Very high | 114 Ų | 114 | 46.3 Ų | 46.3 | 53% | 0.533 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -50.3 | -45.2 | -175.7 | -176.1 | -179.2 | -171.9 | 0 | 0 | 112.7 | T87 H93 L94 | T87-E91 PolarHBondContact O-N 2.84Å; E91-H93 PolarHBondContact O-N 3.1Å; E91-L94 HydrophobicContact CG-CD1 4.39Å; E91-L94 WeakPolarHBondContact O-CB 3.42Å; E91-L94 WeakPolarHBondContact O-CG 3.44Å; E91-L94 PolarHBondContact O-N 3.44Å |
| 92 | K | 88 | Confident | 93 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.2 | -7.9 | 177.7 | 67.1 | 173 | -176 | 170.1 | 0 | 115.6 | S90 | S90-K92 VanDerWaalsContact C-N 3.28Å; S90-K92 PolarHBondContact O-N 3.4Å |
| 93 | H | 89.5 | Confident | 93 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -107.5 | -7.4 | 179.5 | -62.5 | -45 | 0 | 0 | 0 | 113.1 | F52 I61 S90 E91 E95 K96 | F52-H93 VanDerWaalsContact CB-CD2 3.42Å; F52-H93 WeakPolarHBondContact CB-CD2 3.39Å; I61-H93 HydrophobicContact CD1-CB 4.13Å; I61-H93 HydrophobicContact CG2-CB 4.41Å; S90-H93 WeakPolarHBondContact O-CB 3.47Å; S90-H93 PolarHBondContact O-N 3.14Å; E91-H93 PolarHBondContact O-N 3.1Å; H93-E95 PolarHBondContact O-N 3.43Å; H93-K96 WeakPolarHBondContact O-CB 3.4Å; H93-K96 PolarHBondContact O-N 2.88Å; H93-K96 VanDerWaalsContact O-N 3.12Å |
| 94 | L | 90.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -65.9 | -35.7 | -173.4 | -65.5 | 177 | 0 | 0 | 0 | 113.3 | F65 T87 E91 K96 I97 S128 L129 I132 | F65-L94 HydrophobicContact CE1-CD2 3.73Å; F65-L94 HydrophobicContact CE2-CD2 4.16Å; F65-L94 HydrophobicContact CZ-CD2 3.49Å; F65-L94 VanDerWaalsContact CZ-CD2 3.49Å; T87-L94 HydrophobicContact CG2-CD1 4.29Å; T87-L94 HydrophobicContact CG2-CD2 3.73Å; E91-L94 HydrophobicContact CG-CD1 4.39Å; E91-L94 WeakPolarHBondContact O-CB 3.42Å; E91-L94 WeakPolarHBondContact O-CG 3.44Å; E91-L94 PolarHBondContact O-N 3.44Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-K96 VanDerWaalsContact O-N 3.16Å; L94-I97 HydrophobicContact CD2-CD1 4.12Å; L94-I97 WeakPolarHBondContact O-CB 3.26Å; L94-I97 WeakPolarHBondContact O-CD1 3.38Å; L94-I97 WeakPolarHBondContact O-CG1 3.48Å; L94-I97 PolarHBondContact O-N 3.07Å; L94-I97 VanDerWaalsContact O-N 3.13Å; L94-S128 VanDerWaalsContact CD1-O 3.29Å; L94-S128 WeakPolarHBondContact CD1-O 3.44Å; L94-L129 HydrophobicContact CD1-CD2 4.19Å; L94-L129 HydrophobicContact CD2-CD2 4.02Å; L94-I132 HydrophobicContact CB-CD1 4.48Å; L94-I132 HydrophobicContact CB-CG2 4.06Å |
| 95 | E | 84.1 | Confident | 92.8 | Very high | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -67.1 | -15.1 | 177.4 | -67 | 146.7 | -165.1 | 0 | 0 | 113.2 | H93 I97 I132 H885 N886 | H93-E95 PolarHBondContact O-N 3.43Å; E95-I97 PolarHBondContact O-N 2.89Å; E95-I132 HydrophobicContact CG-CG2 3.93Å; E95-H885 IonicContact OE1-CE1 3.6Å; E95-H885 PolarHBondContact OE1-CE1 3.24Å; E95-H885 IonicContact OE1-ND1 2.8Å; E95-H885 PolarHBondContact OE1-ND1 2.67Å; E95-H885 VanDerWaalsContact OE1-ND1 3.12Å; E95-H885 IonicContact OE2-CE1 3.11Å; E95-H885 PolarHBondContact OE2-CE1 3.34Å; E95-H885 IonicContact OE2-CG 2.59Å; E95-H885 IonicContact OE2-ND1 2.93Å; E95-H885 PolarHBondContact OE2-ND1 2.63Å; E95-N886 PolarHBondContact OE1-ND2 3.38Å; E95-N886 PolarHBondContact OE2-ND2 3.28Å |
| 96 | K | 86.4 | Confident | 92.8 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -83.5 | 1.7 | 177.8 | -51.4 | 178.6 | -178.3 | -161.8 | 0 | 112 | P56 P58 I61 H93 L94 L98 Y888 | P56-K96 PolarHBondContact O-NZ 3.13Å; P58-K96 HydrophobicContact CB-CB 4.44Å; I61-K96 HydrophobicContact CB-CB 4.35Å; I61-K96 HydrophobicContact CD1-CB 4.04Å; I61-K96 HydrophobicContact CD1-CD 3.44Å; I61-K96 VanDerWaalsContact CD1-CD 3.44Å; I61-K96 HydrophobicContact CD1-CG 4.35Å; I61-K96 HydrophobicContact CG2-CB 4.05Å; H93-K96 WeakPolarHBondContact O-CB 3.4Å; H93-K96 PolarHBondContact O-N 2.88Å; H93-K96 VanDerWaalsContact O-N 3.12Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-K96 VanDerWaalsContact O-N 3.16Å; K96-L98 PolarHBondContact O-N 2.88Å; K96-Y888 HydrophobicContact CG-CG 4.34Å |
| 97 | I | 89.4 | Confident | 92.8 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | -77.4 | 116.5 | 173.8 | -60.9 | 171 | 0 | 0 | 0 | 108.6 | F65 L94 E95 V100 F103 I132 | F65-I97 HydrophobicContact CB-CD1 3.89Å; F65-I97 HydrophobicContact CB-CG1 4.04Å; F65-I97 HydrophobicContact CD1-CD1 4.06Å; F65-I97 HydrophobicContact CD2-CD1 3.66Å; F65-I97 HydrophobicContact CD2-CG1 3.61Å; F65-I97 HydrophobicContact CE2-CD1 4.17Å; F65-I97 HydrophobicContact CE2-CG1 4.27Å; F65-I97 HydrophobicContact CG-CD1 3.61Å; F65-I97 HydrophobicContact CG-CG1 3.94Å; L94-I97 HydrophobicContact CD2-CD1 4.12Å; L94-I97 WeakPolarHBondContact O-CB 3.26Å; L94-I97 WeakPolarHBondContact O-CD1 3.38Å; L94-I97 WeakPolarHBondContact O-CG1 3.48Å; L94-I97 PolarHBondContact O-N 3.07Å; L94-I97 VanDerWaalsContact O-N 3.13Å; E95-I97 PolarHBondContact O-N 2.89Å; I97-V100 HydrophobicContact CB-CG2 4.41Å; I97-V100 HydrophobicContact CG2-CG2 4.17Å; I97-V100 VanDerWaalsContact O-CG2 3.29Å; I97-V100 WeakPolarHBondContact O-CG2 3.11Å; I97-F103 HydrophobicContact CD1-CD1 4.39Å; I97-F103 HydrophobicContact CD1-CE1 4.32Å; I97-F103 HydrophobicContact CG2-CB 4.43Å; I97-I132 HydrophobicContact CD1-CD1 4.16Å | ||
| 98 | L | 86.6 | Confident | 92.9 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 44% | 0.44 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -80.5 | -42.1 | -178.7 | -55.8 | 176 | 0 | 0 | 0 | 111.8 | P58 N62 K96 V100 | P58-L98 HydrophobicContact CB-CD2 4.21Å; P58-L98 HydrophobicContact CB-CG 4.43Å; N62-L98 HydrophobicContact CB-CB 4.27Å; N62-L98 HydrophobicContact CB-CD1 4.43Å; N62-L98 HydrophobicContact CB-CG 4.15Å; N62-L98 PolarHBondContact OD1-N 3.06Å; K96-L98 PolarHBondContact O-N 2.88Å; L98-V100 PolarHBondContact O-N 3.23Å |
| 99 | N | 92.6 | Very high | 92.9 | Very high | 85 Ų | 85 | 50.5 Ų | 50.5 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | trans | -98.1 | 59.2 | -175.8 | -68 | -20.6 | 0 | 0 | 0 | 111.4 | N62 L66 D101 E102 F103 | N62-N99 PolarHBondContact OD1-N 3.07Å; L66-N99 HydrophobicContact CD1-CB 4.22Å; L66-N99 HydrophobicContact CD2-CB 4.31Å; N99-D101 VanDerWaalsContact C-N 3.33Å; N99-D101 PolarHBondContact O-N 2.81Å; N99-E102 PolarHBondContact O-N 3.37Å; N99-F103 PolarHBondContact O-N 3.37Å; N99-F103 VanDerWaalsContact O-N 3.12Å | ||
| 100 | V | 94.4 | Very high | 93 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 17% | 0.17 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.2 | -43.8 | -175.9 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | I97 L98 E102 F103 V104 I132 I133 | I97-V100 HydrophobicContact CB-CG2 4.41Å; I97-V100 HydrophobicContact CG2-CG2 4.17Å; I97-V100 VanDerWaalsContact O-CG2 3.29Å; I97-V100 WeakPolarHBondContact O-CG2 3.11Å; L98-V100 PolarHBondContact O-N 3.23Å; V100-E102 PolarHBondContact O-N 2.92Å; V100-F103 PolarHBondContact O-N 2.99Å; V100-V104 HydrophobicContact CG1-CG2 3.95Å; V100-V104 WeakPolarHBondContact O-CB 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.47Å; V100-V104 PolarHBondContact O-N 3.49Å; V100-I132 HydrophobicContact CG1-CD1 4.22Å; V100-I133 HydrophobicContact CG1-CG2 3.55Å |
| 101 | D | 94.3 | Very high | 93.1 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.1 | -47.1 | -178.6 | -74.5 | 51.7 | 0 | 0 | 0 | 112.9 | N99 K105 R136 | N99-D101 VanDerWaalsContact C-N 3.33Å; N99-D101 PolarHBondContact O-N 2.81Å; D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.5Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-R136 IonicContact OD1-CZ 3.78Å; D101-R136 IonicContact OD1-NH1 3.36Å; D101-R136 IonicContact OD1-NH2 3.82Å; D101-R136 PolarHBondContact OD1-NH2 3.17Å; D101-R136 IonicContact OD2-CZ 3.37Å; D101-R136 IonicContact OD2-NH1 2.97Å; D101-R136 PolarHBondContact OD2-NH1 3.2Å; D101-R136 IonicContact OD2-NH2 2.93Å; D101-R136 PolarHBondContact OD2-NH2 3.42Å |
| 102 | E | 95.8 | Very high | 93.3 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.4 | -39.9 | -178.5 | -179 | 57.7 | -160.6 | 0 | 0 | 111.4 | L66 N99 V100 K105 R106 | L66-E102 HydrophobicContact CD2-CB 4.34Å; L66-E102 HydrophobicContact CD2-CG 4.17Å; N99-E102 PolarHBondContact O-N 3.37Å; V100-E102 PolarHBondContact O-N 2.92Å; E102-K105 PolarHBondContact O-N 3.06Å; E102-R106 VanDerWaalsContact O-CG 3.32Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 3.35Å; E102-R106 IonicContact OE1-CZ 3.65Å; E102-R106 IonicContact OE1-NE 3.82Å; E102-R106 PolarHBondContact OE1-NE 3.31Å; E102-R106 IonicContact OE1-NH2 3.53Å; E102-R106 PolarHBondContact OE1-NH2 2.78Å |
| 103 | F | 96.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 173.4 | 175.8 | -101.7 | 0 | 0 | 0 | 111.3 | F65 L66 A69 I97 N99 V100 R106 V107 L129 | F65-F103 HydrophobicContact CB-CD2 3.99Å; F65-F103 HydrophobicContact CB-CE2 3.84Å; F65-F103 AromaticContact CD1-CE2 3.89Å; F65-F103 HydrophobicContact CD1-CE2 3.89Å; F65-F103 AromaticContact CD1-CZ 4Å; F65-F103 HydrophobicContact CD1-CZ 4Å; F65-F103 HydrophobicContact CG-CE2 4.31Å; F65-F103 VanDerWaalsContact O-CD2 3.29Å; F65-F103 WeakPolarHBondContact O-CD2 3.49Å; F65-F103 VanDerWaalsContact O-CE2 3.23Å; F65-F103 WeakPolarHBondContact O-CE2 3.24Å; L66-F103 HydrophobicContact CD2-CB 4.11Å; A69-F103 HydrophobicContact CB-CD2 3.49Å; A69-F103 VanDerWaalsContact CB-CD2 3.49Å; A69-F103 HydrophobicContact CB-CE2 3.69Å; A69-F103 HydrophobicContact CB-CG 4.42Å; I97-F103 HydrophobicContact CD1-CD1 4.39Å; I97-F103 HydrophobicContact CD1-CE1 4.32Å; I97-F103 HydrophobicContact CG2-CB 4.43Å; N99-F103 PolarHBondContact O-N 3.37Å; N99-F103 VanDerWaalsContact O-N 3.12Å; V100-F103 PolarHBondContact O-N 2.99Å; F103-R106 PolarHBondContact O-N 2.8Å; F103-V107 HydrophobicContact CE1-CG2 4.36Å; F103-V107 HydrophobicContact CE2-CG2 4.49Å; F103-V107 HydrophobicContact CZ-CG2 4.21Å; F103-V107 PolarHBondContact O-N 3.24Å; F103-V107 VanDerWaalsContact O-N 3.16Å; F103-L129 HydrophobicContact CD1-CD1 4.35Å; F103-L129 HydrophobicContact CE1-CD1 3.56Å; F103-L129 HydrophobicContact CE1-CD2 3.67Å; F103-L129 HydrophobicContact CE1-CG 4.25Å; F103-L129 HydrophobicContact CZ-CD1 4.39Å; F103-L129 HydrophobicContact CZ-CD2 4.29Å |
| 104 | V | 96.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | -178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | V100 R106 V107 F108 I133 | V100-V104 HydrophobicContact CG1-CG2 3.95Å; V100-V104 WeakPolarHBondContact O-CB 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.47Å; V100-V104 PolarHBondContact O-N 3.49Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 3.01Å; V104-V107 PolarHBondContact O-N 3.44Å; V104-F108 WeakPolarHBondContact O-CB 3.36Å; V104-F108 PolarHBondContact O-N 2.88Å; V104-I133 HydrophobicContact CG1-CD1 4.3Å; V104-I133 HydrophobicContact CG2-CD1 4.2Å; V104-I133 HydrophobicContact CG2-CG2 3.76Å |
| 105 | K | 96.9 | Very high | 94.2 | Very high | 143 Ų | 143 | 54.2 Ų | 54.2 | 62% | 0.622 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57 | -42.7 | 176.3 | -178.5 | -179.1 | 177.2 | -175.5 | 0 | 112.1 | D101 E102 S109 | D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.5Å; D101-K105 PolarHBondContact O-N 3.15Å; E102-K105 PolarHBondContact O-N 3.06Å; K105-S109 PolarHBondContact O-N 3.4Å; K105-S109 VanDerWaalsContact O-N 3.1Å |
| 106 | R | 97.5 | Very high | 94.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 15% | 0.151 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 177.9 | -69.6 | 167.7 | -169.4 | -161.8 | -4.7 | 111.8 | L66 A69 D70 E102 F103 V104 S109 | L66-R106 PolarHBondContact O-NH1 3.06Å; A69-R106 HydrophobicContact CB-CB 3.87Å; D70-R106 IonicContact OD1-CZ 2.63Å; D70-R106 IonicContact OD1-NE 3.09Å; D70-R106 IonicContact OD1-NH1 2.85Å; D70-R106 PolarHBondContact OD1-NH1 3.44Å; D70-R106 IonicContact OD2-CZ 2.95Å; D70-R106 IonicContact OD2-NH1 3.95Å; D70-R106 PolarHBondContact OD2-NH1 3.3Å; E102-R106 VanDerWaalsContact O-CG 3.32Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 3.35Å; E102-R106 IonicContact OE1-CZ 3.65Å; E102-R106 IonicContact OE1-NE 3.82Å; E102-R106 PolarHBondContact OE1-NE 3.31Å; E102-R106 IonicContact OE1-NH2 3.53Å; E102-R106 PolarHBondContact OE1-NH2 2.78Å; F103-R106 PolarHBondContact O-N 2.8Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 3.01Å; R106-S109 PolarHBondContact O-OG 2.72Å |
| 107 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 176.4 | 170 | 0 | 0 | 0 | 0 | 110.9 | A69 F72 F103 V104 S109 V110 T122 M125 L126 | A69-V107 HydrophobicContact CB-CG2 4.29Å; F72-V107 HydrophobicContact CD1-CB 4.38Å; F72-V107 HydrophobicContact CD1-CG1 4.27Å; F72-V107 HydrophobicContact CD1-CG2 4.29Å; F72-V107 HydrophobicContact CE1-CG1 3.97Å; F72-V107 HydrophobicContact CZ-CG1 4.49Å; F103-V107 HydrophobicContact CE1-CG2 4.36Å; F103-V107 HydrophobicContact CE2-CG2 4.49Å; F103-V107 HydrophobicContact CZ-CG2 4.21Å; F103-V107 PolarHBondContact O-N 3.24Å; F103-V107 VanDerWaalsContact O-N 3.16Å; V104-V107 PolarHBondContact O-N 3.44Å; V107-S109 VanDerWaalsContact C-N 3.25Å; V107-S109 PolarHBondContact O-N 2.89Å; V107-V110 PolarHBondContact O-N 2.69Å; V107-T122 HydrophobicContact CG1-CG2 4.3Å; V107-M125 HydrophobicContact CG1-CB 4.15Å; V107-M125 HydrophobicContact CG1-CG 3.48Å; V107-M125 VanDerWaalsContact CG1-CG 3.48Å; V107-M125 HydrophobicContact CG2-CG 4.33Å; V107-L126 HydrophobicContact CG1-CD2 4.34Å |
| 108 | F | 97.2 | Very high | 95.7 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -29.9 | -175.1 | -168.6 | -92.5 | 0 | 0 | 0 | 112.2 | V104 V110 I111 H112 L126 N138 S142 | V104-F108 WeakPolarHBondContact O-CB 3.36Å; V104-F108 PolarHBondContact O-N 2.88Å; F108-V110 PolarHBondContact O-N 2.99Å; F108-I111 HydrophobicContact CD1-CG2 4.05Å; F108-I111 HydrophobicContact CD2-CG2 4.33Å; F108-I111 HydrophobicContact CE1-CG2 3.82Å; F108-I111 HydrophobicContact CE2-CG2 4.1Å; F108-I111 HydrophobicContact CG-CG2 4.3Å; F108-I111 HydrophobicContact CZ-CG2 3.85Å; F108-I111 WeakPolarHBondContact O-CB 3.25Å; F108-I111 WeakPolarHBondContact O-CG2 3.46Å; F108-I111 PolarHBondContact O-N 3.41Å; F108-H112 AromaticContact CE1-NE2 3.59Å; F108-L126 HydrophobicContact CD2-CD1 4Å; F108-L126 HydrophobicContact CD2-CD2 4.32Å; F108-L126 HydrophobicContact CE2-CD1 4.29Å; F108-N138 HydrophobicContact CE1-CB 4.46Å; F108-N138 HydrophobicContact CE2-CB 4.28Å; F108-N138 HydrophobicContact CZ-CB 3.92Å; F108-S142 WeakPolarHBondContact CE2-OG 3.46Å; F108-S142 WeakPolarHBondContact CZ-OG 3.47Å |
| 109 | S | 96.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -55.5 | -23 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | R73 K105 R106 V107 | R73-S109 WeakPolarHBondContact CG-OG 3.38Å; K105-S109 PolarHBondContact O-N 3.4Å; K105-S109 VanDerWaalsContact O-N 3.1Å; R106-S109 PolarHBondContact O-OG 2.72Å; V107-S109 VanDerWaalsContact C-N 3.25Å; V107-S109 PolarHBondContact O-N 2.89Å |
| 110 | V | 97.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -79.5 | -18.9 | 179 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | F72 V107 F108 H112 S113 A118 T122 | F72-V110 HydrophobicContact CD1-CG2 3.96Å; F72-V110 HydrophobicContact CE1-CB 4.12Å; F72-V110 HydrophobicContact CE1-CG1 4.47Å; F72-V110 HydrophobicContact CE1-CG2 3.97Å; V107-V110 PolarHBondContact O-N 2.69Å; F108-V110 PolarHBondContact O-N 2.99Å; V110-H112 PolarHBondContact O-N 2.79Å; V110-S113 VanDerWaalsContact O-CB 3.23Å; V110-S113 WeakPolarHBondContact O-CB 3.27Å; V110-S113 PolarHBondContact O-N 3.13Å; V110-S113 VanDerWaalsContact O-N 3.12Å; V110-A118 HydrophobicContact CG1-CB 4.11Å; V110-T122 WeakPolarHBondContact CG1-OG1 3.14Å |
| 111 | I | 96.7 | Very high | 96.8 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -65.4 | -23.5 | -177.1 | -157.6 | 65 | 0 | 0 | 0 | 113 | F108 S113 R119 T122 L123 | F108-I111 HydrophobicContact CD1-CG2 4.05Å; F108-I111 HydrophobicContact CD2-CG2 4.33Å; F108-I111 HydrophobicContact CE1-CG2 3.82Å; F108-I111 HydrophobicContact CE2-CG2 4.1Å; F108-I111 HydrophobicContact CG-CG2 4.3Å; F108-I111 HydrophobicContact CZ-CG2 3.85Å; F108-I111 WeakPolarHBondContact O-CB 3.25Å; F108-I111 WeakPolarHBondContact O-CG2 3.46Å; F108-I111 PolarHBondContact O-N 3.41Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 3.33Å; I111-R119 HydrophobicContact CD1-CB 4.42Å; I111-R119 WeakPolarHBondContact O-CD 3.44Å; I111-R119 WeakPolarHBondContact O-CG 3.19Å; I111-T122 HydrophobicContact CB-CG2 4.03Å; I111-T122 HydrophobicContact CD1-CG2 3.9Å; I111-L123 HydrophobicContact CD1-CD2 3.98Å; I111-L123 HydrophobicContact CD1-CG 3.83Å |
| 112 | H | 94.6 | Very high | 97 | Very high | 142 Ų | 142 | 44.7 Ų | 44.7 | 66% | 0.657 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -87.1 | 9.4 | 178.9 | -56.7 | -54.7 | 0 | 0 | 0 | 113.2 | F108 V110 | F108-H112 AromaticContact CE1-NE2 3.59Å; V110-H112 PolarHBondContact O-N 2.79Å |
| 113 | S | 95.3 | Very high | 97.1 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | trans | -69.3 | 147.9 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | V110 I111 D115 R119 | V110-S113 VanDerWaalsContact O-CB 3.23Å; V110-S113 WeakPolarHBondContact O-CB 3.27Å; V110-S113 PolarHBondContact O-N 3.13Å; V110-S113 VanDerWaalsContact O-N 3.12Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 3.33Å; S113-D115 PolarHBondContact O-N 2.68Å; S113-D115 PolarHBondContact OG-N 3.34Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; S113-R119 WeakPolarHBondContact O-CD 3.26Å; S113-R119 WeakPolarHBondContact O-CG 3.07Å; S113-R119 PolarHBondContact O-NE 2.87Å | ||
| 114 | N | 94.5 | Very high | 97.2 | Very high | 161 Ų | 161 | 45 Ų | 45 | 86% | 0.861 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -75.9 | -8.7 | 171.2 | -64.3 | -28.8 | 0 | 0 | 0 | 113.1 | P116 | N114-P116 WeakPolarHBondContact O-CD 3.46Š|
| 115 | D | 96.9 | Very high | 97.2 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | trans | -83.9 | 113.1 | 178.2 | 176.3 | 0.2 | 0 | 0 | 0 | 110.9 | N77 S113 V117 A118 R119 | N77-D115 PolarHBondContact ND2-OD2 3.33Å; S113-D115 PolarHBondContact O-N 2.68Å; S113-D115 PolarHBondContact OG-N 3.34Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; D115-V117 PolarHBondContact O-N 3.47Å; D115-V117 WeakPolarHBondContact OD1-CB 3.4Å; D115-V117 PolarHBondContact OD1-N 2.67Å; D115-A118 HydrophobicContact CB-CB 3.91Å; D115-A118 PolarHBondContact O-N 2.94Å; D115-A118 PolarHBondContact OD1-N 3.42Å; D115-R119 PolarHBondContact O-N 2.93Å | ||
| 116 | P | 96.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -27.7 | -178.9 | 25.9 | -33.8 | 0 | 0 | 0 | 113.3 | N114 A120 D151 V153 | N114-P116 WeakPolarHBondContact O-CD 3.46Å; P116-A120 VanDerWaalsContact O-CB 3.22Å; P116-A120 WeakPolarHBondContact O-CB 3.44Å; P116-A120 PolarHBondContact O-N 2.78Å; P116-D151 HydrophobicContact CB-CB 3.73Å; P116-D151 VanDerWaalsContact CB-CG 3.46Å; P116-D151 WeakPolarHBondContact CB-OD2 3.4Å; P116-D151 HydrophobicContact CG-CB 4.49Å; P116-V153 HydrophobicContact CB-CG1 4.39Å |
| 117 | V | 97.9 | Very high | 97.3 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 38% | 0.382 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.3 | -41.6 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | N77 D115 A120 I121 | N77-V117 HydrophobicContact CB-CG1 4.39Å; D115-V117 PolarHBondContact O-N 3.47Å; D115-V117 WeakPolarHBondContact OD1-CB 3.4Å; D115-V117 PolarHBondContact OD1-N 2.67Å; V117-A120 PolarHBondContact O-N 2.87Å; V117-I121 HydrophobicContact CG1-CD1 3.99Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 VanDerWaalsContact O-CG1 3.29Å; V117-I121 WeakPolarHBondContact O-CG1 3.21Å; V117-I121 PolarHBondContact O-N 2.81Å |
| 118 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | V110 D115 I121 T122 | V110-A118 HydrophobicContact CG1-CB 4.11Å; D115-A118 HydrophobicContact CB-CB 3.91Å; D115-A118 PolarHBondContact O-N 2.94Å; D115-A118 PolarHBondContact OD1-N 3.42Å; A118-I121 PolarHBondContact O-N 3.41Å; A118-T122 WeakPolarHBondContact O-CB 3.24Å; A118-T122 PolarHBondContact O-N 2.97Å; A118-T122 PolarHBondContact O-OG1 3.05Å |
| 119 | R | 98.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 174.4 | -68.6 | -170.4 | -72.3 | 143 | 3.6 | 112 | I111 S113 D115 I121 T122 L123 D151 E154 | I111-R119 HydrophobicContact CD1-CB 4.42Å; I111-R119 WeakPolarHBondContact O-CD 3.44Å; I111-R119 WeakPolarHBondContact O-CG 3.19Å; S113-R119 WeakPolarHBondContact O-CD 3.26Å; S113-R119 WeakPolarHBondContact O-CG 3.07Å; S113-R119 PolarHBondContact O-NE 2.87Å; D115-R119 PolarHBondContact O-N 2.93Å; R119-I121 PolarHBondContact O-N 2.93Å; R119-T122 CarbonylContact O-C 3.57Å; R119-T122 WeakPolarHBondContact O-CA 3.3Å; R119-T122 WeakPolarHBondContact O-CB 3.33Å; R119-T122 PolarHBondContact O-N 3.26Å; R119-T122 VanDerWaalsContact O-N 3.1Å; R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 3.45Å; R119-D151 IonicContact NH2-OD2 3.25Å; R119-D151 PolarHBondContact NH2-OD2 3.46Å; R119-E154 HydrophobicContact CB-CG 4.35Å; R119-E154 IonicContact CZ-OE1 3.14Å; R119-E154 IonicContact CZ-OE2 2.96Å; R119-E154 IonicContact NE-OE1 3.74Å; R119-E154 IonicContact NE-OE2 2.82Å; R119-E154 IonicContact NH1-OE1 2.73Å; R119-E154 PolarHBondContact NH1-OE1 2.96Å; R119-E154 IonicContact NH1-OE2 2.68Å; R119-E154 PolarHBondContact NH1-OE2 2.83Å; R119-E154 IonicContact NH2-OE2 3.68Å; R119-E154 PolarHBondContact NH2-OE2 3.42Å |
| 120 | A | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P116 V117 T122 L123 R124 V153 A157 | P116-A120 VanDerWaalsContact O-CB 3.22Å; P116-A120 WeakPolarHBondContact O-CB 3.44Å; P116-A120 PolarHBondContact O-N 2.78Å; V117-A120 PolarHBondContact O-N 2.87Å; A120-T122 VanDerWaalsContact C-N 3.28Å; A120-T122 PolarHBondContact O-N 2.85Å; A120-L123 PolarHBondContact O-N 2.87Å; A120-R124 WeakPolarHBondContact O-CG 3.3Å; A120-R124 PolarHBondContact O-N 3.47Å; A120-V153 HydrophobicContact CB-CG1 4.39Å; A120-V153 HydrophobicContact CB-CG2 4Å; A120-V153 WeakPolarHBondContact CB-O 3.07Å; A120-A157 HydrophobicContact CB-CB 3.77Å; A120-A157 WeakPolarHBondContact O-CB 3.46Å |
| 121 | I | 98.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 175.4 | -64.9 | 165.8 | 0 | 0 | 0 | 110.4 | F72 N77 R80 L81 L84 V117 A118 R119 R124 M125 | F72-I121 HydrophobicContact CE2-CG2 3.81Å; F72-I121 HydrophobicContact CZ-CG2 4.03Å; N77-I121 HydrophobicContact CB-CD1 4.05Å; N77-I121 WeakPolarHBondContact O-CD1 3.27Å; R80-I121 HydrophobicContact CB-CD1 4.32Å; R80-I121 HydrophobicContact CB-CG2 3.79Å; L81-I121 HydrophobicContact CB-CD1 4.29Å; L84-I121 HydrophobicContact CB-CG2 4.33Å; L84-I121 HydrophobicContact CD2-CG2 4.16Å; V117-I121 HydrophobicContact CG1-CD1 3.99Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 VanDerWaalsContact O-CG1 3.29Å; V117-I121 WeakPolarHBondContact O-CG1 3.21Å; V117-I121 PolarHBondContact O-N 2.81Å; A118-I121 PolarHBondContact O-N 3.41Å; R119-I121 PolarHBondContact O-N 2.93Å; I121-R124 PolarHBondContact O-N 3.03Å; I121-M125 WeakPolarHBondContact O-CB 3.15Å; I121-M125 PolarHBondContact O-N 2.69Å |
| 122 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 177.6 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | F72 V107 V110 I111 A118 R119 A120 R124 M125 L126 | F72-T122 HydrophobicContact CE1-CG2 4.33Å; V107-T122 HydrophobicContact CG1-CG2 4.3Å; V110-T122 WeakPolarHBondContact CG1-OG1 3.14Å; I111-T122 HydrophobicContact CB-CG2 4.03Å; I111-T122 HydrophobicContact CD1-CG2 3.9Å; A118-T122 WeakPolarHBondContact O-CB 3.24Å; A118-T122 PolarHBondContact O-N 2.97Å; A118-T122 PolarHBondContact O-OG1 3.05Å; R119-T122 CarbonylContact O-C 3.57Å; R119-T122 WeakPolarHBondContact O-CA 3.3Å; R119-T122 WeakPolarHBondContact O-CB 3.33Å; R119-T122 PolarHBondContact O-N 3.26Å; R119-T122 VanDerWaalsContact O-N 3.1Å; A120-T122 VanDerWaalsContact C-N 3.28Å; A120-T122 PolarHBondContact O-N 2.85Å; T122-R124 PolarHBondContact O-N 3.36Å; T122-M125 WeakPolarHBondContact O-CB 3.35Å; T122-M125 PolarHBondContact O-N 3.07Å; T122-M125 VanDerWaalsContact O-N 3.14Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 3.33Å |
| 123 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 174 | -71.2 | 164.7 | 0 | 0 | 0 | 111.6 | I111 R119 A120 M125 L126 G127 V143 E154 A157 A158 A161 | I111-L123 HydrophobicContact CD1-CD2 3.98Å; I111-L123 HydrophobicContact CD1-CG 3.83Å; R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 3.45Å; A120-L123 PolarHBondContact O-N 2.87Å; L123-M125 VanDerWaalsContact C-N 3.29Å; L123-M125 PolarHBondContact O-N 2.99Å; L123-L126 PolarHBondContact O-N 3.11Å; L123-G127 PolarHBondContact O-N 3.12Å; L123-V143 HydrophobicContact CD2-CG2 3.87Å; L123-E154 HydrophobicContact CD1-CG 3.64Å; L123-A157 HydrophobicContact CB-CB 3.89Å; L123-A157 HydrophobicContact CD1-CB 4.21Å; L123-A158 HydrophobicContact CD1-CB 4.08Å; L123-A161 HydrophobicContact CB-CB 4.47Å; L123-A161 WeakPolarHBondContact O-CB 3.29Å |
| 124 | R | 98.5 | Very high | 97 | Very high | 79 Ų | 79 | 28.6 Ų | 28.6 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 174.1 | -71.3 | -179.6 | 179.1 | -82.4 | 1 | 112.1 | L84 A120 I121 T122 S128 A157 F160 | L84-R124 HydrophobicContact CD1-CB 4.06Å; L84-R124 HydrophobicContact CD2-CB 3.59Å; L84-R124 HydrophobicContact CG-CB 4.5Å; A120-R124 WeakPolarHBondContact O-CG 3.3Å; A120-R124 PolarHBondContact O-N 3.47Å; I121-R124 PolarHBondContact O-N 3.03Å; T122-R124 PolarHBondContact O-N 3.36Å; R124-S128 PolarHBondContact O-N 3.37Å; R124-S128 PolarHBondContact O-OG 3.43Å; R124-S128 VanDerWaalsContact O-OG 3.1Å; R124-A157 HydrophobicContact CG-CB 3.85Å; R124-F160 HydrophobicContact CB-CD1 4.19Å; R124-F160 HydrophobicContact CB-CE1 4.3Å; R124-F160 HydrophobicContact CG-CD1 3.96Å; R124-F160 HydrophobicContact CG-CE1 4.49Å; R124-F160 WeakPolarHBondContact O-CE1 3.42Å |
| 125 | M | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | 173.6 | -179.2 | 62.9 | 82.1 | 0 | 0 | 110.8 | F72 V83 L84 T87 V107 I121 T122 L123 G127 S128 L129 | F72-M125 HydrophobicContact CD2-CE 3.72Å; F72-M125 HydrophobicContact CE2-CB 4.23Å; F72-M125 HydrophobicContact CE2-CE 3.7Å; F72-M125 HydrophobicContact CE2-CG 4.38Å; F72-M125 HydrophobicContact CZ-CB 4.1Å; F72-M125 HydrophobicContact CZ-CG 4.42Å; V83-M125 HydrophobicContact CB-CE 4.46Å; V83-M125 HydrophobicContact CG1-CE 3.78Å; L84-M125 HydrophobicContact CB-CE 4.15Å; L84-M125 HydrophobicContact CD1-CB 4.19Å; L84-M125 HydrophobicContact CD1-CE 4.5Å; L84-M125 HydrophobicContact CD1-SD 4.4Å; T87-M125 HydrophobicContact CG2-SD 3.73Å; V107-M125 HydrophobicContact CG1-CB 4.15Å; V107-M125 HydrophobicContact CG1-CG 3.48Å; V107-M125 VanDerWaalsContact CG1-CG 3.48Å; V107-M125 HydrophobicContact CG2-CG 4.33Å; I121-M125 WeakPolarHBondContact O-CB 3.15Å; I121-M125 PolarHBondContact O-N 2.69Å; T122-M125 WeakPolarHBondContact O-CB 3.35Å; T122-M125 PolarHBondContact O-N 3.07Å; T122-M125 VanDerWaalsContact O-N 3.14Å; L123-M125 VanDerWaalsContact C-N 3.29Å; L123-M125 PolarHBondContact O-N 2.99Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 3.41Å; M125-S128 CarbonylContact O-C 3.55Å; M125-S128 PolarHBondContact O-N 3.44Å; M125-L129 HydrophobicContact CG-CD1 4.02Å; M125-L129 VanDerWaalsContact O-CG 3.28Å; M125-L129 WeakPolarHBondContact O-CG 3.39Å; M125-L129 PolarHBondContact O-N 3.19Å; M125-L129 VanDerWaalsContact O-N 3.09Å; M125-L129 HydrophobicContact SD-CD1 4.29Å; M125-L129 HydrophobicContact SD-CG 4.4Å |
| 126 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 178.2 | -66.4 | 175.4 | 0 | 0 | 0 | 112.1 | V107 F108 T122 L123 S128 L129 A130 I133 A139 F165 | V107-L126 HydrophobicContact CG1-CD2 4.34Å; F108-L126 HydrophobicContact CD2-CD1 4Å; F108-L126 HydrophobicContact CD2-CD2 4.32Å; F108-L126 HydrophobicContact CE2-CD1 4.29Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 3.33Å; L123-L126 PolarHBondContact O-N 3.11Å; L126-S128 PolarHBondContact O-N 3.33Å; L126-L129 CarbonylContact O-C 3.58Å; L126-L129 PolarHBondContact O-N 3.04Å; L126-A130 PolarHBondContact O-N 3.47Å; L126-I133 HydrophobicContact CD2-CD1 4.3Å; L126-A139 HydrophobicContact CD1-CB 4.33Å; L126-F165 HydrophobicContact CB-CE2 4.17Å; L126-F165 HydrophobicContact CB-CZ 4.42Å; L126-F165 WeakPolarHBondContact O-CZ 3.23Å |
| 127 | G | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L123 M125 L129 A130 C164 | L123-G127 PolarHBondContact O-N 3.12Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 3.41Å; G127-L129 PolarHBondContact O-N 3.33Å; G127-A130 VanDerWaalsContact O-CB 3.22Å; G127-A130 WeakPolarHBondContact O-CB 3.49Å; G127-A130 PolarHBondContact O-N 3.02Å; G127-A130 VanDerWaalsContact O-N 3.12Å; G127-C164 WeakPolarHBondContact O-CB 3.33Å |
| 128 | S | 97.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 33 Ų | 33 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -12.9 | 175.2 | -63 | 0 | 0 | 0 | 0 | 114.2 | Q88 L94 R124 M125 L126 | Q88-S128 VanDerWaalsContact CG-OG 3.26Å; Q88-S128 WeakPolarHBondContact CG-OG 3.42Å; Q88-S128 PolarHBondContact NE2-OG 3.03Å; L94-S128 VanDerWaalsContact CD1-O 3.29Å; L94-S128 WeakPolarHBondContact CD1-O 3.44Å; R124-S128 PolarHBondContact O-N 3.37Å; R124-S128 PolarHBondContact O-OG 3.43Å; R124-S128 VanDerWaalsContact O-OG 3.1Å; M125-S128 CarbonylContact O-C 3.55Å; M125-S128 PolarHBondContact O-N 3.44Å; L126-S128 PolarHBondContact O-N 3.33Å |
| 129 | L | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 1.6 | 175.2 | -59.6 | 170.9 | 0 | 0 | 0 | 112.6 | T87 L94 F103 M125 L126 G127 T131 I132 I133 | T87-L129 HydrophobicContact CG2-CD2 3.9Å; L94-L129 HydrophobicContact CD1-CD2 4.19Å; L94-L129 HydrophobicContact CD2-CD2 4.02Å; F103-L129 HydrophobicContact CD1-CD1 4.35Å; F103-L129 HydrophobicContact CE1-CD1 3.56Å; F103-L129 HydrophobicContact CE1-CD2 3.67Å; F103-L129 HydrophobicContact CE1-CG 4.25Å; F103-L129 HydrophobicContact CZ-CD1 4.39Å; F103-L129 HydrophobicContact CZ-CD2 4.29Å; M125-L129 HydrophobicContact CG-CD1 4.02Å; M125-L129 VanDerWaalsContact O-CG 3.28Å; M125-L129 WeakPolarHBondContact O-CG 3.39Å; M125-L129 PolarHBondContact O-N 3.19Å; M125-L129 VanDerWaalsContact O-N 3.09Å; M125-L129 HydrophobicContact SD-CD1 4.29Å; M125-L129 HydrophobicContact SD-CG 4.4Å; L126-L129 CarbonylContact O-C 3.58Å; L126-L129 PolarHBondContact O-N 3.04Å; G127-L129 PolarHBondContact O-N 3.33Å; L129-T131 PolarHBondContact O-N 3.38Å; L129-I132 HydrophobicContact CB-CG1 4.24Å; L129-I132 HydrophobicContact CD2-CD1 4.09Å; L129-I132 VanDerWaalsContact O-CG1 3.25Å; L129-I132 WeakPolarHBondContact O-CG1 3.31Å; L129-I132 PolarHBondContact O-N 3.38Å; L129-I133 HydrophobicContact CB-CD1 4Å; L129-I133 HydrophobicContact CB-CG1 3.93Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 3.01Å; L129-I133 VanDerWaalsContact O-N 3.12Å |
| 130 | A | 96.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L126 G127 P134 C164 F165 Q168 | L126-A130 PolarHBondContact O-N 3.47Å; G127-A130 VanDerWaalsContact O-CB 3.22Å; G127-A130 WeakPolarHBondContact O-CB 3.49Å; G127-A130 PolarHBondContact O-N 3.02Å; G127-A130 VanDerWaalsContact O-N 3.12Å; A130-P134 WeakPolarHBondContact O-CA 3.47Å; A130-P134 WeakPolarHBondContact O-CD 3.47Å; A130-C164 HydrophobicContact CB-CB 3.93Å; A130-F165 HydrophobicContact CB-CD1 3.88Å; A130-F165 HydrophobicContact CB-CD2 4.49Å; A130-F165 HydrophobicContact CB-CE1 4.01Å; A130-F165 HydrophobicContact CB-CG 4.12Å; A130-F165 HydrophobicContact CB-CZ 4.37Å; A130-Q168 HydrophobicContact CB-CG 4.33Å |
| 131 | T | 93.3 | Very high | 96.6 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -32 | 175.9 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | L129 | L129-T131 PolarHBondContact O-N 3.38Š|
| 132 | I | 93.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 37 Ų | 37 | 16% | 0.164 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -13.5 | -178.1 | 63.6 | 166.3 | 0 | 0 | 0 | 113.7 | L94 E95 I97 V100 L129 P134 | L94-I132 HydrophobicContact CB-CD1 4.48Å; L94-I132 HydrophobicContact CB-CG2 4.06Å; E95-I132 HydrophobicContact CG-CG2 3.93Å; I97-I132 HydrophobicContact CD1-CD1 4.16Å; V100-I132 HydrophobicContact CG1-CD1 4.22Å; L129-I132 HydrophobicContact CB-CG1 4.24Å; L129-I132 HydrophobicContact CD2-CD1 4.09Å; L129-I132 VanDerWaalsContact O-CG1 3.25Å; L129-I132 WeakPolarHBondContact O-CG1 3.31Å; L129-I132 PolarHBondContact O-N 3.38Å; I132-P134 VanDerWaalsContact C-CD 3.42Å |
| 133 | I | 95.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -130.7 | 45.2 | 177.8 | 52.8 | 159.8 | 0 | 0 | 0 | 114.4 | V100 V104 L126 L129 E135 R136 F165 | V100-I133 HydrophobicContact CG1-CG2 3.55Å; V104-I133 HydrophobicContact CG1-CD1 4.3Å; V104-I133 HydrophobicContact CG2-CD1 4.2Å; V104-I133 HydrophobicContact CG2-CG2 3.76Å; L126-I133 HydrophobicContact CD2-CD1 4.3Å; L129-I133 HydrophobicContact CB-CD1 4Å; L129-I133 HydrophobicContact CB-CG1 3.93Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 3.01Å; L129-I133 VanDerWaalsContact O-N 3.12Å; I133-E135 PolarHBondContact O-N 2.94Å; I133-R136 HydrophobicContact CB-CB 4.37Å; I133-R136 HydrophobicContact CB-CG 3.64Å; I133-R136 HydrophobicContact CD1-CG 4.49Å; I133-R136 HydrophobicContact CG2-CG 3.86Å; I133-R136 PolarHBondContact O-N 2.77Å; I133-F165 HydrophobicContact CD1-CZ 4.22Å; I133-F165 HydrophobicContact CG1-CE1 4.43Å; I133-F165 HydrophobicContact CG1-CZ 4.48Å; I133-F165 WeakPolarHBondContact O-CE1 3.18Å | ||
| 134 | P | 96.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 40.3 Ų | 40.3 | 26% | 0.26 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20 | -172.3 | 26.9 | -36.1 | 0 | 0 | 0 | 113.9 | A130 I132 H140 Q168 S169 | A130-P134 WeakPolarHBondContact O-CA 3.47Å; A130-P134 WeakPolarHBondContact O-CD 3.47Å; I132-P134 VanDerWaalsContact C-CD 3.42Å; P134-H140 PolarHBondContact O-CE1 2.93Å; P134-H140 PolarHBondContact O-NE2 3.35Å; P134-Q168 HydrophobicContact CB-CB 4.05Å; P134-S169 WeakPolarHBondContact O-CB 3.41Å; P134-S169 PolarHBondContact O-OG 2.8Å |
| 135 | E | 96 | Very high | 96.3 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 13.9 | -174.1 | -66.2 | -53.9 | 139.2 | 0 | 0 | 115 | I133 K137 S169 | I133-E135 PolarHBondContact O-N 2.94Å; E135-K137 PolarHBondContact O-N 3.45Å; E135-K137 IonicContact OE2-NZ 3.46Å; E135-K137 PolarHBondContact OE2-NZ 2.87Å; E135-S169 WeakPolarHBondContact OE1-CB 3.38Å; E135-S169 PolarHBondContact OE1-OG 3.23Å |
| 136 | R | 95.7 | Very high | 96.2 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | trans | -74 | 96.7 | 179 | -72.2 | -69.1 | -174.7 | 175.9 | -2.1 | 111.2 | D101 I133 N138 A139 H140 | D101-R136 IonicContact OD1-CZ 3.78Å; D101-R136 IonicContact OD1-NH1 3.36Å; D101-R136 IonicContact OD1-NH2 3.82Å; D101-R136 PolarHBondContact OD1-NH2 3.17Å; D101-R136 IonicContact OD2-CZ 3.37Å; D101-R136 IonicContact OD2-NH1 2.97Å; D101-R136 PolarHBondContact OD2-NH1 3.2Å; D101-R136 IonicContact OD2-NH2 2.93Å; D101-R136 PolarHBondContact OD2-NH2 3.42Å; I133-R136 HydrophobicContact CB-CB 4.37Å; I133-R136 HydrophobicContact CB-CG 3.64Å; I133-R136 HydrophobicContact CD1-CG 4.49Å; I133-R136 HydrophobicContact CG2-CG 3.86Å; I133-R136 PolarHBondContact O-N 2.77Å; R136-N138 VanDerWaalsContact C-N 3.26Å; R136-N138 PolarHBondContact O-N 3.22Å; R136-N138 VanDerWaalsContact O-N 3.15Å; R136-A139 HydrophobicContact CB-CB 4.08Å; R136-A139 WeakPolarHBondContact O-CB 3.37Å; R136-A139 PolarHBondContact O-N 3.37Å; R136-H140 PolarHBondContact O-CD2 3.49Å; R136-H140 VanDerWaalsContact O-CD2 3.26Å; R136-H140 PolarHBondContact O-N 3.46Å | ||
| 137 | K | 95.3 | Very high | 96.1 | Very high | 107 Ų | 107 | 43 Ų | 43 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.3 | -32.6 | -178.5 | -53.6 | -51.9 | -173.3 | -167.1 | 0 | 114 | E135 A139 H140 H141 D171 | E135-K137 PolarHBondContact O-N 3.45Å; E135-K137 IonicContact OE2-NZ 3.46Å; E135-K137 PolarHBondContact OE2-NZ 2.87Å; K137-A139 PolarHBondContact O-N 3.2Å; K137-H140 WeakPolarHBondContact O-CB 3.48Å; K137-H140 PolarHBondContact O-N 2.89Å; K137-H141 WeakPolarHBondContact O-CB 3.49Å; K137-H141 PolarHBondContact O-N 3.29Å; K137-D171 IonicContact NZ-OD2 3.72Å; K137-D171 PolarHBondContact NZ-OD2 3.41Å; K137-D171 VanDerWaalsContact NZ-OD2 3.13Å |
| 138 | N | 94.8 | Very high | 95.9 | Very high | 116 Ų | 116 | 47 Ų | 47 | 62% | 0.62 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.2 | -39.6 | 175.2 | -59.4 | 4.9 | 0 | 0 | 0 | 112.2 | F108 R136 S142 | F108-N138 HydrophobicContact CE1-CB 4.46Å; F108-N138 HydrophobicContact CE2-CB 4.28Å; F108-N138 HydrophobicContact CZ-CB 3.92Å; R136-N138 VanDerWaalsContact C-N 3.26Å; R136-N138 PolarHBondContact O-N 3.22Å; R136-N138 VanDerWaalsContact O-N 3.15Å; N138-S142 WeakPolarHBondContact O-CB 3.39Å; N138-S142 PolarHBondContact O-N 2.89Å; N138-S142 VanDerWaalsContact O-N 3.08Å; N138-S142 PolarHBondContact O-OG 3.14Å |
| 139 | A | 96.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L126 R136 K137 H141 S142 V143 F165 | L126-A139 HydrophobicContact CD1-CB 4.33Å; R136-A139 HydrophobicContact CB-CB 4.08Å; R136-A139 WeakPolarHBondContact O-CB 3.37Å; R136-A139 PolarHBondContact O-N 3.37Å; K137-A139 PolarHBondContact O-N 3.2Å; A139-H141 PolarHBondContact O-N 2.97Å; A139-S142 PolarHBondContact O-N 3.23Å; A139-V143 VanDerWaalsContact O-CG2 3.28Å; A139-V143 WeakPolarHBondContact O-CG2 3.43Å; A139-V143 PolarHBondContact O-N 3.49Å; A139-F165 HydrophobicContact CB-CE2 4.45Å; A139-F165 HydrophobicContact CB-CZ 3.97Å |
| 140 | H | 97.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 177.3 | -63.4 | -173.4 | 0 | 0 | 0 | 111.9 | P134 R136 K137 V143 H144 F165 F172 | P134-H140 PolarHBondContact O-CE1 2.93Å; P134-H140 PolarHBondContact O-NE2 3.35Å; R136-H140 PolarHBondContact O-CD2 3.49Å; R136-H140 VanDerWaalsContact O-CD2 3.26Å; R136-H140 PolarHBondContact O-N 3.46Å; K137-H140 WeakPolarHBondContact O-CB 3.48Å; K137-H140 PolarHBondContact O-N 2.89Å; H140-V143 PolarHBondContact O-N 2.79Å; H140-H144 WeakPolarHBondContact O-CB 3.33Å; H140-H144 PolarHBondContact O-N 2.86Å; H140-F165 AromaticContact CD2-CD1 3.9Å; H140-F165 AromaticContact NE2-CD1 3.65Å; H140-F165 AromaticContact NE2-CE1 3.99Å; H140-F172 HydrophobicContact CB-CD2 3.61Å; H140-F172 HydrophobicContact CB-CE2 3.92Å; H140-F172 AromaticContact CD2-CD2 3.8Å; H140-F172 AromaticContact CG-CD2 3.47Å; H140-F172 VanDerWaalsContact CG-CD2 3.47Å; H140-F172 AromaticContact ND1-CD2 3.8Å |
| 141 | H | 96.5 | Very high | 95.6 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 57% | 0.574 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 178.5 | -178.7 | 64.9 | 0 | 0 | 0 | 111.9 | K137 A139 H144 Q145 | K137-H141 WeakPolarHBondContact O-CB 3.49Å; K137-H141 PolarHBondContact O-N 3.29Å; A139-H141 PolarHBondContact O-N 2.97Å; H141-H144 PolarHBondContact O-N 2.94Å; H141-Q145 WeakPolarHBondContact O-CB 3.46Å; H141-Q145 PolarHBondContact O-N 3.04Å |
| 142 | S | 96.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | F108 N138 A139 Q145 S146 | F108-S142 WeakPolarHBondContact CE2-OG 3.46Å; F108-S142 WeakPolarHBondContact CZ-OG 3.47Å; N138-S142 WeakPolarHBondContact O-CB 3.39Å; N138-S142 PolarHBondContact O-N 2.89Å; N138-S142 VanDerWaalsContact O-N 3.08Å; N138-S142 PolarHBondContact O-OG 3.14Å; A139-S142 PolarHBondContact O-N 3.23Å; S142-Q145 PolarHBondContact O-N 3.44Å; S142-S146 WeakPolarHBondContact O-CB 3.37Å; S142-S146 PolarHBondContact O-N 2.96Å; S142-S146 PolarHBondContact O-OG 3.38Å |
| 143 | V | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L123 A139 H140 Q145 S146 L147 A161 S162 F165 F172 | L123-V143 HydrophobicContact CD2-CG2 3.87Å; A139-V143 VanDerWaalsContact O-CG2 3.28Å; A139-V143 WeakPolarHBondContact O-CG2 3.43Å; A139-V143 PolarHBondContact O-N 3.49Å; H140-V143 PolarHBondContact O-N 2.79Å; V143-Q145 PolarHBondContact O-N 2.77Å; V143-S146 PolarHBondContact O-N 2.9Å; V143-L147 PolarHBondContact O-N 2.85Å; V143-A161 HydrophobicContact CG1-CB 4.1Å; V143-A161 HydrophobicContact CG2-CB 3.73Å; V143-S162 WeakPolarHBondContact CG1-OG 3.4Å; V143-F165 HydrophobicContact CG2-CD2 4.27Å; V143-F165 HydrophobicContact CG2-CE2 4.23Å; V143-F172 HydrophobicContact CB-CE2 4.47Å; V143-F172 HydrophobicContact CB-CZ 4.34Å; V143-F172 HydrophobicContact CG1-CE2 4.39Å; V143-F172 HydrophobicContact CG1-CZ 3.79Å |
| 144 | H | 96.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 64.5 Ų | 64.5 | 32% | 0.324 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.1 | -175.4 | -63.8 | 0 | 0 | 0 | 111.8 | H140 H141 L147 I176 | H140-H144 WeakPolarHBondContact O-CB 3.33Å; H140-H144 PolarHBondContact O-N 2.86Å; H141-H144 PolarHBondContact O-N 2.94Å; H144-L147 PolarHBondContact O-N 2.74Å; H144-I176 HydrophobicContact CB-CD1 4.18Å |
| 145 | Q | 96.3 | Very high | 95.8 | Very high | 124 Ų | 124 | 63 Ų | 63 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 179.4 | -174.3 | -179.1 | 8.8 | 0 | 0 | 112.1 | H141 S142 V143 L147 D148 | H141-Q145 WeakPolarHBondContact O-CB 3.46Å; H141-Q145 PolarHBondContact O-N 3.04Å; S142-Q145 PolarHBondContact O-N 3.44Å; V143-Q145 PolarHBondContact O-N 2.77Å; Q145-L147 PolarHBondContact O-N 3.49Å; Q145-D148 PolarHBondContact O-N 3.32Å; Q145-D148 VanDerWaalsContact O-N 3.13Å |
| 146 | S | 97 | Very high | 95.8 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.7 | -14.4 | -178.8 | -72.9 | 0 | 0 | 0 | 0 | 114.2 | S142 V143 D148 S149 E154 | S142-S146 WeakPolarHBondContact O-CB 3.37Å; S142-S146 PolarHBondContact O-N 2.96Å; S142-S146 PolarHBondContact O-OG 3.38Å; V143-S146 PolarHBondContact O-N 2.9Å; S146-D148 PolarHBondContact O-N 3.23Å; S146-S149 VanDerWaalsContact O-CB 3.26Å; S146-S149 WeakPolarHBondContact O-CB 3.41Å; S146-S149 PolarHBondContact O-N 2.96Å; S146-E154 WeakPolarHBondContact CB-OE1 3.09Å; S146-E154 PolarHBondContact OG-OE1 3.35Å |
| 147 | L | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25 | 170.4 | -73.6 | 170.7 | 0 | 0 | 0 | 112.7 | V143 H144 Q145 S149 A158 I159 I176 I180 M183 | V143-L147 PolarHBondContact O-N 2.85Å; H144-L147 PolarHBondContact O-N 2.74Å; Q145-L147 PolarHBondContact O-N 3.49Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-A158 HydrophobicContact CD2-CB 3.76Å; L147-A158 HydrophobicContact CG-CB 3.98Å; L147-I159 HydrophobicContact CD2-CG1 3.77Å; L147-I176 HydrophobicContact CD1-CD1 3.73Å; L147-I176 HydrophobicContact CD1-CG1 4.22Å; L147-I180 HydrophobicContact CD1-CD1 3.91Å; L147-M183 HydrophobicContact CB-CE 4.42Å; L147-M183 HydrophobicContact CB-SD 4.17Å |
| 148 | D | 93.4 | Very high | 96 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 13.2 | 176.9 | -68.6 | -41.4 | 0 | 0 | 0 | 112.7 | Q145 S146 K179 | Q145-D148 PolarHBondContact O-N 3.32Å; Q145-D148 VanDerWaalsContact O-N 3.13Å; S146-D148 PolarHBondContact O-N 3.23Å; D148-K179 WeakPolarHBondContact OD1-CE 3.45Å; D148-K179 IonicContact OD1-NZ 2.75Å; D148-K179 PolarHBondContact OD1-NZ 3.34Å; D148-K179 IonicContact OD2-NZ 3.22Å; D148-K179 PolarHBondContact OD2-NZ 2.88Å |
| 149 | S | 95.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | trans | -69.5 | 151.1 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | S146 L147 D151 E154 V155 | S146-S149 VanDerWaalsContact O-CB 3.26Å; S146-S149 WeakPolarHBondContact O-CB 3.41Å; S146-S149 PolarHBondContact O-N 2.96Å; L147-S149 VanDerWaalsContact C-N 3.3Å; S149-D151 VanDerWaalsContact C-N 3.31Å; S149-D151 PolarHBondContact OG-N 2.85Å; S149-E154 WeakPolarHBondContact CB-OE2 3.23Å; S149-E154 PolarHBondContact OG-OE2 3.1Å; S149-V155 VanDerWaalsContact O-CG2 3.24Å; S149-V155 WeakPolarHBondContact O-CG2 3.42Å | ||
| 150 | H | 93.6 | Very high | 96.2 | Very high | 185 Ų | 185 | 50.5 Ų | 50.5 | 86% | 0.856 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -83.5 | -12 | 173.3 | -59.6 | 75.8 | 0 | 0 | 0 | 111.9 | ||
| 151 | D | 95.6 | Very high | 96.2 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 34% | 0.342 | 25% | 0.25 | S | C | . | . | trans | -92.9 | 110.7 | -178.7 | -69.1 | -66.9 | 0 | 0 | 0 | 111.1 | P116 R119 S149 V153 E154 V155 | P116-D151 HydrophobicContact CB-CB 3.73Å; P116-D151 VanDerWaalsContact CB-CG 3.46Å; P116-D151 WeakPolarHBondContact CB-OD2 3.4Å; P116-D151 HydrophobicContact CG-CB 4.49Å; R119-D151 IonicContact NH2-OD2 3.25Å; R119-D151 PolarHBondContact NH2-OD2 3.46Å; S149-D151 VanDerWaalsContact C-N 3.31Å; S149-D151 PolarHBondContact OG-N 2.85Å; D151-V153 VanDerWaalsContact C-N 3.26Å; D151-V153 PolarHBondContact O-N 3.03Å; D151-V153 VanDerWaalsContact O-N 3.13Å; D151-E154 HydrophobicContact CB-CB 4.14Å; D151-E154 WeakPolarHBondContact O-CB 3.34Å; D151-E154 PolarHBondContact O-N 3.13Å; D151-V155 PolarHBondContact O-N 2.77Å | ||
| 152 | N | 92.8 | Very high | 96.3 | Very high | 122 Ų | 122 | 43.8 Ų | 43.8 | 65% | 0.652 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -53.3 | -39.1 | -178 | -71.6 | -29.3 | 0 | 0 | 0 | 113.8 | E154 V155 E156 | N152-E154 VanDerWaalsContact C-N 3.27Å; N152-E154 PolarHBondContact O-N 3.09Å; N152-V155 PolarHBondContact O-N 2.99Å; N152-E156 WeakPolarHBondContact O-CG 3.43Å; N152-E156 PolarHBondContact O-N 2.88Å |
| 153 | V | 95.1 | Very high | 96.3 | Very high | 69 Ų | 69 | 44.4 Ų | 44.4 | 42% | 0.418 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -33.8 | 179.6 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | P116 A120 D151 A157 | P116-V153 HydrophobicContact CB-CG1 4.39Å; A120-V153 HydrophobicContact CB-CG1 4.39Å; A120-V153 HydrophobicContact CB-CG2 4Å; A120-V153 WeakPolarHBondContact CB-O 3.07Å; D151-V153 VanDerWaalsContact C-N 3.26Å; D151-V153 PolarHBondContact O-N 3.03Å; D151-V153 VanDerWaalsContact O-N 3.13Å; V153-A157 PolarHBondContact O-N 3.42Å |
| 154 | E | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.7 | -44.6 | 177.9 | -170.8 | -172.7 | -175.1 | 0 | 0 | 110.9 | R119 L123 S146 S149 D151 N152 E156 A157 A158 | R119-E154 HydrophobicContact CB-CG 4.35Å; R119-E154 IonicContact CZ-OE1 3.14Å; R119-E154 IonicContact CZ-OE2 2.96Å; R119-E154 IonicContact NE-OE1 3.74Å; R119-E154 IonicContact NE-OE2 2.82Å; R119-E154 IonicContact NH1-OE1 2.73Å; R119-E154 PolarHBondContact NH1-OE1 2.96Å; R119-E154 IonicContact NH1-OE2 2.68Å; R119-E154 PolarHBondContact NH1-OE2 2.83Å; R119-E154 IonicContact NH2-OE2 3.68Å; R119-E154 PolarHBondContact NH2-OE2 3.42Å; L123-E154 HydrophobicContact CD1-CG 3.64Å; S146-E154 WeakPolarHBondContact CB-OE1 3.09Å; S146-E154 PolarHBondContact OG-OE1 3.35Å; S149-E154 WeakPolarHBondContact CB-OE2 3.23Å; S149-E154 PolarHBondContact OG-OE2 3.1Å; D151-E154 HydrophobicContact CB-CB 4.14Å; D151-E154 WeakPolarHBondContact O-CB 3.34Å; D151-E154 PolarHBondContact O-N 3.13Å; N152-E154 VanDerWaalsContact C-N 3.27Å; N152-E154 PolarHBondContact O-N 3.09Å; E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.07Å; E154-A157 CarbonylContact O-C 3.51Å; E154-A157 WeakPolarHBondContact O-CA 3.45Å; E154-A157 WeakPolarHBondContact O-CB 3.23Å; E154-A157 PolarHBondContact O-N 2.89Å; E154-A158 WeakPolarHBondContact O-CB 3.37Å; E154-A158 PolarHBondContact O-N 3.12Å |
| 155 | V | 96.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | S149 D151 N152 A157 A158 I159 L193 | S149-V155 VanDerWaalsContact O-CG2 3.24Å; S149-V155 WeakPolarHBondContact O-CG2 3.42Å; D151-V155 PolarHBondContact O-N 2.77Å; N152-V155 PolarHBondContact O-N 2.99Å; V155-A157 VanDerWaalsContact C-N 3.29Å; V155-A157 PolarHBondContact O-N 3.16Å; V155-A158 WeakPolarHBondContact O-CB 3.48Å; V155-A158 PolarHBondContact O-N 3.12Å; V155-A158 VanDerWaalsContact O-N 3.15Å; V155-I159 HydrophobicContact CG1-CD1 4.19Å; V155-I159 VanDerWaalsContact O-CG1 3.31Å; V155-I159 WeakPolarHBondContact O-CG1 3.37Å; V155-I159 PolarHBondContact O-N 3.29Å; V155-L193 HydrophobicContact CG1-CD1 4.09Å; V155-L193 HydrophobicContact CG1-CD2 4.09Å |
| 156 | E | 96.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 176.4 | -74.1 | -170.3 | -163.6 | 0 | 0 | 113.4 | N152 E154 F160 K196 | N152-E156 WeakPolarHBondContact O-CG 3.43Å; N152-E156 PolarHBondContact O-N 2.88Å; E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.07Å; E156-F160 PolarHBondContact O-N 3.46Å; E156-F160 VanDerWaalsContact O-N 3.13Å; E156-K196 HydrophobicContact CG-CD 4.26Å; E156-K196 IonicContact OE1-NZ 3.32Å; E156-K196 PolarHBondContact OE1-NZ 2.94Å; E156-K196 IonicContact OE2-NZ 3.68Å; E156-K196 PolarHBondContact OE2-NZ 2.81Å |
| 157 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A120 L123 R124 V153 E154 V155 F160 A161 | A120-A157 HydrophobicContact CB-CB 3.77Å; A120-A157 WeakPolarHBondContact O-CB 3.46Å; L123-A157 HydrophobicContact CB-CB 3.89Å; L123-A157 HydrophobicContact CD1-CB 4.21Å; R124-A157 HydrophobicContact CG-CB 3.85Å; V153-A157 PolarHBondContact O-N 3.42Å; E154-A157 CarbonylContact O-C 3.51Å; E154-A157 WeakPolarHBondContact O-CA 3.45Å; E154-A157 WeakPolarHBondContact O-CB 3.23Å; E154-A157 PolarHBondContact O-N 2.89Å; V155-A157 VanDerWaalsContact C-N 3.29Å; V155-A157 PolarHBondContact O-N 3.16Å; A157-F160 PolarHBondContact O-N 2.95Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.03Å |
| 158 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 L147 E154 V155 A161 S162 | L123-A158 HydrophobicContact CD1-CB 4.08Å; L147-A158 HydrophobicContact CD2-CB 3.76Å; L147-A158 HydrophobicContact CG-CB 3.98Å; E154-A158 WeakPolarHBondContact O-CB 3.37Å; E154-A158 PolarHBondContact O-N 3.12Å; V155-A158 WeakPolarHBondContact O-CB 3.48Å; V155-A158 PolarHBondContact O-N 3.12Å; V155-A158 VanDerWaalsContact O-N 3.15Å; A158-A161 PolarHBondContact O-N 3.2Å; A158-S162 VanDerWaalsContact O-CB 3.26Å; A158-S162 WeakPolarHBondContact O-CB 3.21Å; A158-S162 PolarHBondContact O-N 2.63Å; A158-S162 PolarHBondContact O-OG 2.94Å |
| 159 | I | 97.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 173.1 | -68.3 | 172.7 | 0 | 0 | 0 | 110.4 | L147 V155 A161 S162 A163 L193 K196 L197 M200 | L147-I159 HydrophobicContact CD2-CG1 3.77Å; V155-I159 HydrophobicContact CG1-CD1 4.19Å; V155-I159 VanDerWaalsContact O-CG1 3.31Å; V155-I159 WeakPolarHBondContact O-CG1 3.37Å; V155-I159 PolarHBondContact O-N 3.29Å; I159-A161 PolarHBondContact O-N 3.47Å; I159-S162 PolarHBondContact O-N 3.41Å; I159-A163 PolarHBondContact O-N 3.36Å; I159-L193 HydrophobicContact CD1-CD1 3.31Å; I159-L193 HydrophobicContact CD1-CG 4.13Å; I159-K196 HydrophobicContact CD1-CB 4.36Å; I159-K196 HydrophobicContact CG2-CB 4.36Å; I159-K196 WeakPolarHBondContact CG2-O 3.3Å; I159-L197 HydrophobicContact CD1-CD2 3.57Å; I159-L197 HydrophobicContact CD1-CG 3.89Å; I159-L197 HydrophobicContact CG1-CD2 3.64Å; I159-L197 HydrophobicContact CG1-CG 4.47Å; I159-M200 HydrophobicContact CB-SD 4.47Å; I159-M200 HydrophobicContact CG2-CE 4.31Å; I159-M200 HydrophobicContact CG2-CG 4.39Å; I159-M200 HydrophobicContact CG2-SD 3.83Å; I159-M200 VanDerWaalsContact O-SD 3.4Å |
| 160 | F | 97.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 26% | 0.263 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.3 | -50 | 175.4 | 170.3 | -92 | 0 | 0 | 0 | 111.5 | R124 E156 A157 S162 A163 C164 | R124-F160 HydrophobicContact CB-CD1 4.19Å; R124-F160 HydrophobicContact CB-CE1 4.3Å; R124-F160 HydrophobicContact CG-CD1 3.96Å; R124-F160 HydrophobicContact CG-CE1 4.49Å; R124-F160 WeakPolarHBondContact O-CE1 3.42Å; E156-F160 PolarHBondContact O-N 3.46Å; E156-F160 VanDerWaalsContact O-N 3.13Å; A157-F160 PolarHBondContact O-N 2.95Å; F160-S162 VanDerWaalsContact C-N 3.33Å; F160-S162 PolarHBondContact O-N 2.87Å; F160-A163 PolarHBondContact O-N 3.35Å; F160-C164 PolarHBondContact O-N 3.11Å; F160-C164 VanDerWaalsContact O-N 3.11Å; F160-C164 PolarHBondContact O-SG 2.95Å; F160-C164 VanDerWaalsContact O-SG 3.35Å |
| 161 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | L123 V143 A157 A158 I159 A163 C164 F165 | L123-A161 HydrophobicContact CB-CB 4.47Å; L123-A161 WeakPolarHBondContact O-CB 3.29Å; V143-A161 HydrophobicContact CG1-CB 4.1Å; V143-A161 HydrophobicContact CG2-CB 3.73Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.03Å; A158-A161 PolarHBondContact O-N 3.2Å; I159-A161 PolarHBondContact O-N 3.47Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.38Å; A161-C164 PolarHBondContact O-N 3.13Å; A161-F165 VanDerWaalsContact O-CD2 3.27Å; A161-F165 WeakPolarHBondContact O-CD2 3.39Å; A161-F165 PolarHBondContact O-N 2.93Å |
| 162 | S | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | V143 A158 I159 F160 S166 F172 | V143-S162 WeakPolarHBondContact CG1-OG 3.4Å; A158-S162 VanDerWaalsContact O-CB 3.26Å; A158-S162 WeakPolarHBondContact O-CB 3.21Å; A158-S162 PolarHBondContact O-N 2.63Å; A158-S162 PolarHBondContact O-OG 2.94Å; I159-S162 PolarHBondContact O-N 3.41Å; F160-S162 VanDerWaalsContact C-N 3.33Å; F160-S162 PolarHBondContact O-N 2.87Å; S162-S166 WeakPolarHBondContact O-CB 3.34Å; S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 3.38Å; S162-F172 WeakPolarHBondContact O-CE1 3.29Å |
| 163 | A | 97 | Very high | 96.8 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I159 F160 A161 S166 A167 M200 H203 | I159-A163 PolarHBondContact O-N 3.36Å; F160-A163 PolarHBondContact O-N 3.35Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.38Å; A163-S166 PolarHBondContact O-N 3.15Å; A163-A167 PolarHBondContact O-N 2.93Å; A163-M200 HydrophobicContact CB-CG 3.98Å; A163-M200 HydrophobicContact CB-SD 4.43Å; A163-H203 PolarHBondContact O-CD2 3.09Å |
| 164 | C | 97.2 | Very high | 96.8 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 179.6 | -66 | 0 | 0 | 0 | 0 | 112.7 | G127 A130 F160 A161 A167 | G127-C164 WeakPolarHBondContact O-CB 3.33Å; A130-C164 HydrophobicContact CB-CB 3.93Å; F160-C164 PolarHBondContact O-N 3.11Å; F160-C164 VanDerWaalsContact O-N 3.11Å; F160-C164 PolarHBondContact O-SG 2.95Å; F160-C164 VanDerWaalsContact O-SG 3.35Å; A161-C164 PolarHBondContact O-N 3.13Å; C164-A167 WeakPolarHBondContact O-CB 3.28Å; C164-A167 PolarHBondContact O-N 3.29Å |
| 165 | F | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 176.6 | -80.7 | -71.5 | 0 | 0 | 0 | 112.1 | L126 A130 I133 A139 H140 V143 A161 A167 Q168 S169 F172 | L126-F165 HydrophobicContact CB-CE2 4.17Å; L126-F165 HydrophobicContact CB-CZ 4.42Å; L126-F165 WeakPolarHBondContact O-CZ 3.23Å; A130-F165 HydrophobicContact CB-CD1 3.88Å; A130-F165 HydrophobicContact CB-CD2 4.49Å; A130-F165 HydrophobicContact CB-CE1 4.01Å; A130-F165 HydrophobicContact CB-CG 4.12Å; A130-F165 HydrophobicContact CB-CZ 4.37Å; I133-F165 HydrophobicContact CD1-CZ 4.22Å; I133-F165 HydrophobicContact CG1-CE1 4.43Å; I133-F165 HydrophobicContact CG1-CZ 4.48Å; I133-F165 WeakPolarHBondContact O-CE1 3.18Å; A139-F165 HydrophobicContact CB-CE2 4.45Å; A139-F165 HydrophobicContact CB-CZ 3.97Å; H140-F165 AromaticContact CD2-CD1 3.9Å; H140-F165 AromaticContact NE2-CD1 3.65Å; H140-F165 AromaticContact NE2-CE1 3.99Å; V143-F165 HydrophobicContact CG2-CD2 4.27Å; V143-F165 HydrophobicContact CG2-CE2 4.23Å; A161-F165 VanDerWaalsContact O-CD2 3.27Å; A161-F165 WeakPolarHBondContact O-CD2 3.39Å; A161-F165 PolarHBondContact O-N 2.93Å; F165-A167 PolarHBondContact O-N 3.27Å; F165-Q168 PolarHBondContact O-N 3.03Å; F165-Q168 VanDerWaalsContact O-N 3.13Å; F165-S169 PolarHBondContact O-N 2.97Å; F165-F172 HydrophobicContact CB-CB 4.49Å; F165-F172 HydrophobicContact CB-CD1 3.48Å; F165-F172 VanDerWaalsContact CB-CD1 3.48Å; F165-F172 HydrophobicContact CB-CD2 4.43Å; F165-F172 HydrophobicContact CB-CE1 3.72Å; F165-F172 HydrophobicContact CB-CG 3.86Å; F165-F172 HydrophobicContact CB-CZ 4.29Å |
| 166 | S | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -30.3 | 177 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | S162 A163 Q168 H206 | S162-S166 WeakPolarHBondContact O-CB 3.34Å; S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 3.38Å; A163-S166 PolarHBondContact O-N 3.15Å; S166-Q168 VanDerWaalsContact C-N 3.25Å; S166-Q168 PolarHBondContact O-N 3.28Å; S166-H206 PolarHBondContact O-NE2 3.08Å |
| 167 | A | 95.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 22% | 0.223 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -30.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A163 C164 F165 H203 | A163-A167 PolarHBondContact O-N 2.93Å; C164-A167 WeakPolarHBondContact O-CB 3.28Å; C164-A167 PolarHBondContact O-N 3.29Å; F165-A167 PolarHBondContact O-N 3.27Å; A167-H203 WeakPolarHBondContact CB-ND1 3.41Å |
| 168 | Q | 95 | Very high | 96.3 | Very high | 100 Ų | 100 | 32.5 Ų | 32.5 | 47% | 0.467 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -106.9 | -42 | -172.3 | -54.6 | -59.3 | -21.9 | 0 | 0 | 113.2 | A130 P134 F165 S166 | A130-Q168 HydrophobicContact CB-CG 4.33Å; P134-Q168 HydrophobicContact CB-CB 4.05Å; F165-Q168 PolarHBondContact O-N 3.03Å; F165-Q168 VanDerWaalsContact O-N 3.13Å; S166-Q168 VanDerWaalsContact C-N 3.25Å; S166-Q168 PolarHBondContact O-N 3.28Å |
| 169 | S | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -105.1 | 116 | -174 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | P134 E135 F165 D171 F172 A173 | P134-S169 WeakPolarHBondContact O-CB 3.41Å; P134-S169 PolarHBondContact O-OG 2.8Å; E135-S169 WeakPolarHBondContact OE1-CB 3.38Å; E135-S169 PolarHBondContact OE1-OG 3.23Å; F165-S169 PolarHBondContact O-N 2.97Å; S169-D171 VanDerWaalsContact C-N 3.34Å; S169-F172 PolarHBondContact O-N 3.41Å; S169-F172 PolarHBondContact OG-N 3Å; S169-A173 WeakPolarHBondContact O-CB 3.13Å; S169-A173 PolarHBondContact O-N 2.99Å | ||
| 170 | K | 95.6 | Very high | 96 | Very high | 109 Ų | 109 | 33.8 Ų | 33.8 | 47% | 0.474 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 172.9 | 174.3 | 179.9 | 175.4 | -173.7 | 0 | 112.2 | A173 A174 H206 | K170-A173 PolarHBondContact O-N 3.06Å; K170-A174 WeakPolarHBondContact O-CB 3.15Å; K170-A174 PolarHBondContact O-N 2.95Å; K170-H206 HydrophobicContact CB-CB 4Å; K170-H206 HydrophobicContact CD-CB 4.26Å; K170-H206 HydrophobicContact CG-CB 3.78Å |
| 171 | D | 94.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 32 Ų | 32 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.7 | -45 | -179.2 | -77.7 | 2.7 | 0 | 0 | 0 | 110.9 | K137 S169 G175 | K137-D171 IonicContact NZ-OD2 3.72Å; K137-D171 PolarHBondContact NZ-OD2 3.41Å; K137-D171 VanDerWaalsContact NZ-OD2 3.13Å; S169-D171 VanDerWaalsContact C-N 3.34Å; D171-G175 PolarHBondContact O-N 3.23Å |
| 172 | F | 96.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 176.6 | -175.2 | -95.6 | 0 | 0 | 0 | 111.5 | H140 V143 S162 F165 S169 A174 G175 I176 | H140-F172 HydrophobicContact CB-CD2 3.61Å; H140-F172 HydrophobicContact CB-CE2 3.92Å; H140-F172 AromaticContact CD2-CD2 3.8Å; H140-F172 AromaticContact CG-CD2 3.47Å; H140-F172 VanDerWaalsContact CG-CD2 3.47Å; H140-F172 AromaticContact ND1-CD2 3.8Å; V143-F172 HydrophobicContact CB-CE2 4.47Å; V143-F172 HydrophobicContact CB-CZ 4.34Å; V143-F172 HydrophobicContact CG1-CE2 4.39Å; V143-F172 HydrophobicContact CG1-CZ 3.79Å; S162-F172 WeakPolarHBondContact O-CE1 3.29Å; F165-F172 HydrophobicContact CB-CB 4.49Å; F165-F172 HydrophobicContact CB-CD1 3.48Å; F165-F172 VanDerWaalsContact CB-CD1 3.48Å; F165-F172 HydrophobicContact CB-CD2 4.43Å; F165-F172 HydrophobicContact CB-CE1 3.72Å; F165-F172 HydrophobicContact CB-CG 3.86Å; F165-F172 HydrophobicContact CB-CZ 4.29Å; S169-F172 PolarHBondContact O-N 3.41Å; S169-F172 PolarHBondContact OG-N 3Å; F172-A174 VanDerWaalsContact C-N 3.34Å; F172-A174 PolarHBondContact O-N 2.8Å; F172-G175 PolarHBondContact O-N 3.45Å; F172-I176 HydrophobicContact CD1-CB 4.47Å; F172-I176 HydrophobicContact CD1-CG2 4.19Å; F172-I176 HydrophobicContact CE1-CB 4.03Å; F172-I176 HydrophobicContact CE1-CG1 4.2Å; F172-I176 HydrophobicContact CE1-CG2 3.9Å; F172-I176 HydrophobicContact CZ-CB 4.17Å; F172-I176 HydrophobicContact CZ-CD1 4.19Å; F172-I176 HydrophobicContact CZ-CG1 4.04Å; F172-I176 WeakPolarHBondContact O-CB 3.38Å; F172-I176 WeakPolarHBondContact O-CG2 3.25Å; F172-I176 PolarHBondContact O-N 2.98Å |
| 173 | A | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S169 K170 C177 M204 L210 | S169-A173 WeakPolarHBondContact O-CB 3.13Å; S169-A173 PolarHBondContact O-N 2.99Å; K170-A173 PolarHBondContact O-N 3.06Å; A173-C177 VanDerWaalsContact O-CB 3.3Å; A173-C177 WeakPolarHBondContact O-CB 3.22Å; A173-C177 PolarHBondContact O-N 3.48Å; A173-M204 HydrophobicContact CB-CE 4.31Å; A173-M204 HydrophobicContact CB-SD 3.91Å; A173-L210 HydrophobicContact CB-CD2 4.14Å |
| 174 | A | 94.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K170 F172 | K170-A174 WeakPolarHBondContact O-CB 3.15Å; K170-A174 PolarHBondContact O-N 2.95Å; F172-A174 VanDerWaalsContact C-N 3.34Å; F172-A174 PolarHBondContact O-N 2.8Å |
| 175 | G | 93.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.8 | -37 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D171 F172 | D171-G175 PolarHBondContact O-N 3.23Å; F172-G175 PolarHBondContact O-N 3.45Å |
| 176 | I | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -84.8 | -26.3 | -176.4 | -152.7 | 64.1 | 0 | 0 | 0 | 112.6 | H144 L147 F172 N178 K179 I180 M204 | H144-I176 HydrophobicContact CB-CD1 4.18Å; L147-I176 HydrophobicContact CD1-CD1 3.73Å; L147-I176 HydrophobicContact CD1-CG1 4.22Å; F172-I176 HydrophobicContact CD1-CB 4.47Å; F172-I176 HydrophobicContact CD1-CG2 4.19Å; F172-I176 HydrophobicContact CE1-CB 4.03Å; F172-I176 HydrophobicContact CE1-CG1 4.2Å; F172-I176 HydrophobicContact CE1-CG2 3.9Å; F172-I176 HydrophobicContact CZ-CB 4.17Å; F172-I176 HydrophobicContact CZ-CD1 4.19Å; F172-I176 HydrophobicContact CZ-CG1 4.04Å; F172-I176 WeakPolarHBondContact O-CB 3.38Å; F172-I176 WeakPolarHBondContact O-CG2 3.25Å; F172-I176 PolarHBondContact O-N 2.98Å; I176-N178 VanDerWaalsContact C-N 3.33Å; I176-N178 PolarHBondContact O-N 3.12Å; I176-K179 HydrophobicContact CD1-CB 4.41Å; I176-K179 WeakPolarHBondContact O-CB 3.44Å; I176-K179 PolarHBondContact O-N 3.34Å; I176-I180 HydrophobicContact CG1-CD1 4.01Å; I176-I180 HydrophobicContact CG1-CG1 4.01Å; I176-I180 HydrophobicContact CG2-CG1 4.39Å; I176-I180 WeakPolarHBondContact O-CG1 3.45Å; I176-I180 PolarHBondContact O-N 3.23Å; I176-M204 HydrophobicContact CG2-CE 4.12Å |
| 177 | C | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.8 | -46.3 | -171.8 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | A173 K179 I180 S181 M204 L210 | A173-C177 VanDerWaalsContact O-CB 3.3Å; A173-C177 WeakPolarHBondContact O-CB 3.22Å; A173-C177 PolarHBondContact O-N 3.48Å; C177-K179 PolarHBondContact O-N 3.12Å; C177-I180 PolarHBondContact O-N 2.98Å; C177-S181 PolarHBondContact O-N 3.21Å; C177-S181 PolarHBondContact O-OG 3.09Å; C177-M204 HydrophobicContact CB-CE 4.23Å; C177-M204 HydrophobicContact CB-SD 3.95Å; C177-L210 HydrophobicContact CB-CD1 3.75Å |
| 178 | N | 93.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 56 Ų | 56 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 179.1 | -70.1 | -16 | 0 | 0 | 0 | 111.9 | I176 I180 S181 E182 | I176-N178 VanDerWaalsContact C-N 3.33Å; I176-N178 PolarHBondContact O-N 3.12Å; N178-I180 VanDerWaalsContact C-N 3.31Å; N178-I180 PolarHBondContact O-N 3.22Å; N178-S181 WeakPolarHBondContact O-CB 3.49Å; N178-S181 PolarHBondContact O-N 3.24Å; N178-E182 WeakPolarHBondContact O-CG 3.39Å; N178-E182 PolarHBondContact O-N 3.16Å |
| 179 | K | 94.5 | Very high | 94.1 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 176.9 | -179 | 65.7 | -179.1 | -172.6 | 0 | 111.5 | D148 I176 C177 E182 M183 | D148-K179 WeakPolarHBondContact OD1-CE 3.45Å; D148-K179 IonicContact OD1-NZ 2.75Å; D148-K179 PolarHBondContact OD1-NZ 3.34Å; D148-K179 IonicContact OD2-NZ 3.22Å; D148-K179 PolarHBondContact OD2-NZ 2.88Å; I176-K179 HydrophobicContact CD1-CB 4.41Å; I176-K179 WeakPolarHBondContact O-CB 3.44Å; I176-K179 PolarHBondContact O-N 3.34Å; C177-K179 PolarHBondContact O-N 3.12Å; K179-E182 PolarHBondContact O-N 3.14Å; K179-M183 HydrophobicContact CG-SD 4.35Å; K179-M183 VanDerWaalsContact O-CG 3.31Å; K179-M183 WeakPolarHBondContact O-CG 3.47Å; K179-M183 PolarHBondContact O-N 3.3Å |
| 180 | I | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.6 | -58.4 | -43.5 | 0 | 0 | 0 | 111.1 | L147 I176 C177 N178 E182 M183 I184 L197 M200 L201 | L147-I180 HydrophobicContact CD1-CD1 3.91Å; I176-I180 HydrophobicContact CG1-CD1 4.01Å; I176-I180 HydrophobicContact CG1-CG1 4.01Å; I176-I180 HydrophobicContact CG2-CG1 4.39Å; I176-I180 WeakPolarHBondContact O-CG1 3.45Å; I176-I180 PolarHBondContact O-N 3.23Å; C177-I180 PolarHBondContact O-N 2.98Å; N178-I180 VanDerWaalsContact C-N 3.31Å; N178-I180 PolarHBondContact O-N 3.22Å; I180-E182 VanDerWaalsContact C-N 3.35Å; I180-E182 PolarHBondContact O-N 3.13Å; I180-M183 PolarHBondContact O-N 2.93Å; I180-I184 HydrophobicContact CG2-CD1 3.67Å; I180-I184 HydrophobicContact CG2-CG1 4.29Å; I180-I184 VanDerWaalsContact O-CG1 3.24Å; I180-I184 WeakPolarHBondContact O-CG1 3.43Å; I180-I184 PolarHBondContact O-N 3.47Å; I180-L197 HydrophobicContact CD1-CD2 4.17Å; I180-L197 HydrophobicContact CG2-CB 4.45Å; I180-M200 HydrophobicContact CB-CE 4.17Å; I180-M200 HydrophobicContact CD1-CE 3.23Å; I180-M200 HydrophobicContact CD1-SD 4.49Å; I180-M200 HydrophobicContact CG1-CE 3.5Å; I180-M200 HydrophobicContact CG2-CE 3.57Å; I180-L201 HydrophobicContact CG2-CD2 4.48Å |
| 181 | S | 94.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | C177 N178 I184 Q185 L217 | C177-S181 PolarHBondContact O-N 3.21Å; C177-S181 PolarHBondContact O-OG 3.09Å; N178-S181 WeakPolarHBondContact O-CB 3.49Å; N178-S181 PolarHBondContact O-N 3.24Å; S181-I184 PolarHBondContact O-N 3.3Å; S181-Q185 WeakPolarHBondContact O-CB 3.5Å; S181-Q185 WeakPolarHBondContact O-CG 3.34Å; S181-Q185 PolarHBondContact O-N 3.06Å; S181-L217 WeakPolarHBondContact OG-CD2 3.29Å |
| 182 | E | 94.6 | Very high | 93.6 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 176.9 | -72 | 169.4 | -168.8 | 0 | 0 | 111.8 | N178 K179 I180 I184 Q185 G186 | N178-E182 WeakPolarHBondContact O-CG 3.39Å; N178-E182 PolarHBondContact O-N 3.16Å; K179-E182 PolarHBondContact O-N 3.14Å; I180-E182 VanDerWaalsContact C-N 3.35Å; I180-E182 PolarHBondContact O-N 3.13Å; E182-I184 VanDerWaalsContact C-N 3.35Å; E182-I184 PolarHBondContact O-N 2.92Å; E182-Q185 PolarHBondContact O-N 2.9Å; E182-G186 PolarHBondContact O-N 3.36Å |
| 183 | M | 95.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 178.4 | -70.7 | 178.7 | 78.7 | 0 | 0 | 112.4 | L147 K179 I180 T189 L197 | L147-M183 HydrophobicContact CB-CE 4.42Å; L147-M183 HydrophobicContact CB-SD 4.17Å; K179-M183 HydrophobicContact CG-SD 4.35Å; K179-M183 VanDerWaalsContact O-CG 3.31Å; K179-M183 WeakPolarHBondContact O-CG 3.47Å; K179-M183 PolarHBondContact O-N 3.3Å; I180-M183 PolarHBondContact O-N 2.93Å; M183-T189 WeakPolarHBondContact O-CB 3.31Å; M183-T189 WeakPolarHBondContact O-CG2 3.47Å; M183-T189 PolarHBondContact O-OG1 3.24Å; M183-L197 HydrophobicContact CB-CD1 3.79Å; M183-L197 HydrophobicContact CE-CD1 4.36Å |
| 184 | I | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.5 | -41.6 | 178.5 | -64.8 | 165.9 | 0 | 0 | 0 | 110.9 | I180 S181 E182 K194 L197 I198 L201 L221 | I180-I184 HydrophobicContact CG2-CD1 3.67Å; I180-I184 HydrophobicContact CG2-CG1 4.29Å; I180-I184 VanDerWaalsContact O-CG1 3.24Å; I180-I184 WeakPolarHBondContact O-CG1 3.43Å; I180-I184 PolarHBondContact O-N 3.47Å; S181-I184 PolarHBondContact O-N 3.3Å; E182-I184 VanDerWaalsContact C-N 3.35Å; E182-I184 PolarHBondContact O-N 2.92Å; I184-K194 WeakPolarHBondContact O-CD 3.47Å; I184-K194 WeakPolarHBondContact O-CE 3.37Å; I184-K194 PolarHBondContact O-NZ 3.48Å; I184-L197 HydrophobicContact CD1-CB 4.02Å; I184-L197 HydrophobicContact CG1-CB 3.64Å; I184-L197 HydrophobicContact CG1-CD1 4.11Å; I184-I198 HydrophobicContact CD1-CG1 3.97Å; I184-I198 HydrophobicContact CG1-CG1 4.41Å; I184-I198 HydrophobicContact CG2-CG1 4.19Å; I184-L201 HydrophobicContact CD1-CD1 4.21Å; I184-L221 HydrophobicContact CG2-CD1 3.69Å; I184-L221 HydrophobicContact CG2-CD2 3.59Å; I184-L221 HydrophobicContact CG2-CG 4.3Å |
| 185 | Q | 93.7 | Very high | 93.5 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75.3 | -25.9 | -179.8 | -69.3 | 179.9 | -10.7 | 0 | 0 | 112.7 | S181 E182 L217 | S181-Q185 WeakPolarHBondContact O-CB 3.5Å; S181-Q185 WeakPolarHBondContact O-CG 3.34Å; S181-Q185 PolarHBondContact O-N 3.06Å; E182-Q185 PolarHBondContact O-N 2.9Å; Q185-L217 HydrophobicContact CG-CD1 4.07Å |
| 186 | G | 93.3 | Very high | 93.6 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | trans | -55.3 | 137.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | E182 K194 | E182-G186 PolarHBondContact O-N 3.36Å; G186-K194 VanDerWaalsContact O-CE 3.3Å; G186-K194 WeakPolarHBondContact O-CE 3.28Å; G186-K194 PolarHBondContact O-NZ 3.41Å | ||
| 187 | L | 87.3 | Confident | 93.6 | Very high | 160 Ų | 160 | 57.4 Ų | 57.4 | 84% | 0.838 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -75.8 | -26.7 | -179.9 | -64.3 | 171.8 | 0 | 0 | 0 | 112.1 | T189 | L187-T189 VanDerWaalsContact C-N 3.26Å; L187-T189 PolarHBondContact O-N 3.45Å |
| 188 | D | 88.9 | Confident | 93.7 | Very high | 161 Ų | 161 | 57.2 Ų | 57.2 | 86% | 0.861 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -75.3 | -15.7 | -178.6 | -57.7 | -43.1 | 0 | 0 | 0 | 113.2 | P190 | D188-P190 WeakPolarHBondContact O-CD 3.45Š|
| 189 | T | 91.4 | Very high | 93.9 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -79 | 119.8 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | M183 L187 L193 K194 L197 | M183-T189 WeakPolarHBondContact O-CB 3.31Å; M183-T189 WeakPolarHBondContact O-CG2 3.47Å; M183-T189 PolarHBondContact O-OG1 3.24Å; L187-T189 VanDerWaalsContact C-N 3.26Å; L187-T189 PolarHBondContact O-N 3.45Å; T189-L193 HydrophobicContact CG2-CB 3.98Å; T189-L193 HydrophobicContact CG2-CD2 3.99Å; T189-L193 HydrophobicContact CG2-CG 4.14Å; T189-K194 HydrophobicContact CG2-CG 3.72Å; T189-K194 WeakPolarHBondContact O-CE 3.29Å; T189-L197 HydrophobicContact CG2-CD1 4.14Å |
| 190 | P | 92.3 | Very high | 94 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -65.8 | 151.6 | 179 | 26.8 | -33.3 | 0 | 0 | 0 | 111.5 | D188 D192 L193 K194 | D188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-D192 VanDerWaalsContact C-N 3.27Å; P190-D192 PolarHBondContact O-N 3.39Å; P190-L193 HydrophobicContact CG-CB 3.9Å; P190-L193 WeakPolarHBondContact O-CB 3.32Å; P190-L193 PolarHBondContact O-N 2.93Å; P190-K194 PolarHBondContact O-N 3.1Å; P190-K194 VanDerWaalsContact O-N 3.08Å | ||
| 191 | V | 92.4 | Very high | 94 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.2 | -40.5 | -176.1 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | L193 K194 L195 M230 | V191-L193 PolarHBondContact O-N 2.64Å; V191-K194 WeakPolarHBondContact O-CB 3.26Å; V191-K194 PolarHBondContact O-N 2.94Å; V191-K194 VanDerWaalsContact O-N 3.15Å; V191-L195 HydrophobicContact CG1-CD1 4.29Å; V191-L195 HydrophobicContact CG1-CG 4.42Å; V191-L195 WeakPolarHBondContact O-CG 3.36Å; V191-L195 PolarHBondContact O-N 2.87Å; V191-M230 HydrophobicContact CG1-CG 4.35Å; V191-M230 HydrophobicContact CG1-SD 4.31Å |
| 192 | D | 92.8 | Very high | 94.1 | Very high | 118 Ų | 118 | 53.7 Ų | 53.7 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.8 | -34.9 | 178.1 | -65.6 | -41.4 | 0 | 0 | 0 | 112.6 | P190 K196 | P190-D192 VanDerWaalsContact C-N 3.27Å; P190-D192 PolarHBondContact O-N 3.39Å; D192-K196 WeakPolarHBondContact O-CG 3.31Å; D192-K196 PolarHBondContact O-N 2.89Å |
| 193 | L | 93.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76 | -39.3 | 177.1 | -166.2 | 62.6 | 0 | 0 | 0 | 111 | V155 I159 T189 P190 V191 L195 K196 L197 | V155-L193 HydrophobicContact CG1-CD1 4.09Å; V155-L193 HydrophobicContact CG1-CD2 4.09Å; I159-L193 HydrophobicContact CD1-CD1 3.31Å; I159-L193 HydrophobicContact CD1-CG 4.13Å; T189-L193 HydrophobicContact CG2-CB 3.98Å; T189-L193 HydrophobicContact CG2-CD2 3.99Å; T189-L193 HydrophobicContact CG2-CG 4.14Å; P190-L193 HydrophobicContact CG-CB 3.9Å; P190-L193 WeakPolarHBondContact O-CB 3.32Å; P190-L193 PolarHBondContact O-N 2.93Å; V191-L193 PolarHBondContact O-N 2.64Å; L193-L195 VanDerWaalsContact C-N 3.3Å; L193-L195 PolarHBondContact O-N 2.93Å; L193-K196 WeakPolarHBondContact O-CB 3.48Å; L193-K196 PolarHBondContact O-N 2.97Å; L193-L197 HydrophobicContact CG-CD1 4.3Å; L193-L197 WeakPolarHBondContact O-CG 3.45Å; L193-L197 PolarHBondContact O-N 3.04Å |
| 194 | K | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57 | -43.4 | 172.4 | -62.2 | -170.9 | -176.6 | -154.4 | 0 | 111.6 | I184 G186 T189 P190 V191 K196 L197 I198 Y225 M230 | I184-K194 WeakPolarHBondContact O-CD 3.47Å; I184-K194 WeakPolarHBondContact O-CE 3.37Å; I184-K194 PolarHBondContact O-NZ 3.48Å; G186-K194 VanDerWaalsContact O-CE 3.3Å; G186-K194 WeakPolarHBondContact O-CE 3.28Å; G186-K194 PolarHBondContact O-NZ 3.41Å; T189-K194 HydrophobicContact CG2-CG 3.72Å; T189-K194 WeakPolarHBondContact O-CE 3.29Å; P190-K194 PolarHBondContact O-N 3.1Å; P190-K194 VanDerWaalsContact O-N 3.08Å; V191-K194 WeakPolarHBondContact O-CB 3.26Å; V191-K194 PolarHBondContact O-N 2.94Å; V191-K194 VanDerWaalsContact O-N 3.15Å; K194-K196 PolarHBondContact O-N 3.38Å; K194-L197 PolarHBondContact O-N 2.58Å; K194-L197 VanDerWaalsContact O-N 3.12Å; K194-I198 WeakPolarHBondContact O-CD1 3.28Å; K194-I198 VanDerWaalsContact O-CG1 3.26Å; K194-I198 WeakPolarHBondContact O-CG1 3.12Å; K194-I198 PolarHBondContact O-N 3.02Å; K194-Y225 HydrophobicContact CD-CE1 4.46Å; K194-Y225 PolarHBondContact NZ-OH 2.88Å; K194-M230 HydrophobicContact CB-CE 4.36Å; K194-M230 HydrophobicContact CB-SD 4.31Å |
| 195 | L | 95.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -28.8 | 176.3 | -69.5 | 171.9 | 0 | 0 | 0 | 113 | V191 L193 P199 P229 M230 V233 | V191-L195 HydrophobicContact CG1-CD1 4.29Å; V191-L195 HydrophobicContact CG1-CG 4.42Å; V191-L195 WeakPolarHBondContact O-CG 3.36Å; V191-L195 PolarHBondContact O-N 2.87Å; L193-L195 VanDerWaalsContact C-N 3.3Å; L193-L195 PolarHBondContact O-N 2.93Å; L195-P199 WeakPolarHBondContact O-CD 3.44Å; L195-P229 HydrophobicContact CD1-CB 4.05Å; L195-P229 HydrophobicContact CD2-CB 4.1Å; L195-M230 HydrophobicContact CD2-CG 4.07Å; L195-M230 HydrophobicContact CD2-SD 3.51Å; L195-M230 VanDerWaalsContact CD2-SD 3.51Å; L195-M230 HydrophobicContact CG-SD 3.95Å; L195-V233 HydrophobicContact CD2-CB 4.04Å; L195-V233 HydrophobicContact CD2-CG2 3.82Å |
| 196 | K | 95.5 | Very high | 94.1 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -82.7 | -30.3 | 174.8 | -66.3 | 175.7 | -171.8 | -175.3 | 0 | 112.6 | E156 I159 D192 L193 K194 | E156-K196 HydrophobicContact CG-CD 4.26Å; E156-K196 IonicContact OE1-NZ 3.32Å; E156-K196 PolarHBondContact OE1-NZ 2.94Å; E156-K196 IonicContact OE2-NZ 3.68Å; E156-K196 PolarHBondContact OE2-NZ 2.81Å; I159-K196 HydrophobicContact CD1-CB 4.36Å; I159-K196 HydrophobicContact CG2-CB 4.36Å; I159-K196 WeakPolarHBondContact CG2-O 3.3Å; D192-K196 WeakPolarHBondContact O-CG 3.31Å; D192-K196 PolarHBondContact O-N 2.89Å; L193-K196 WeakPolarHBondContact O-CB 3.48Å; L193-K196 PolarHBondContact O-N 2.97Å; K194-K196 PolarHBondContact O-N 3.38Å |
| 197 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.5 | -42.5 | -179.2 | -72.2 | 168.4 | 0 | 0 | 0 | 112.9 | I159 I180 M183 I184 T189 L193 K194 M200 | I159-L197 HydrophobicContact CD1-CD2 3.57Å; I159-L197 HydrophobicContact CD1-CG 3.89Å; I159-L197 HydrophobicContact CG1-CD2 3.64Å; I159-L197 HydrophobicContact CG1-CG 4.47Å; I180-L197 HydrophobicContact CD1-CD2 4.17Å; I180-L197 HydrophobicContact CG2-CB 4.45Å; M183-L197 HydrophobicContact CB-CD1 3.79Å; M183-L197 HydrophobicContact CE-CD1 4.36Å; I184-L197 HydrophobicContact CD1-CB 4.02Å; I184-L197 HydrophobicContact CG1-CB 3.64Å; I184-L197 HydrophobicContact CG1-CD1 4.11Å; T189-L197 HydrophobicContact CG2-CD1 4.14Å; L193-L197 HydrophobicContact CG-CD1 4.3Å; L193-L197 WeakPolarHBondContact O-CG 3.45Å; L193-L197 PolarHBondContact O-N 3.04Å; K194-L197 PolarHBondContact O-N 2.58Å; K194-L197 VanDerWaalsContact O-N 3.12Å; L197-M200 HydrophobicContact CB-CE 4.25Å; L197-M200 HydrophobicContact CD2-CE 3.37Å; L197-M200 HydrophobicContact CG-CE 4.41Å; L197-M200 VanDerWaalsContact O-CB 3.31Å; L197-M200 WeakPolarHBondContact O-CB 3.42Å; L197-M200 WeakPolarHBondContact O-CG 3.38Å; L197-M200 PolarHBondContact O-N 3.41Å |
| 198 | I | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -52.7 | -48 | -175.6 | -70.4 | 161 | 0 | 0 | 0 | 112.7 | I184 K194 M200 L201 L218 L221 M230 V233 T237 | I184-I198 HydrophobicContact CD1-CG1 3.97Å; I184-I198 HydrophobicContact CG1-CG1 4.41Å; I184-I198 HydrophobicContact CG2-CG1 4.19Å; K194-I198 WeakPolarHBondContact O-CD1 3.28Å; K194-I198 VanDerWaalsContact O-CG1 3.26Å; K194-I198 WeakPolarHBondContact O-CG1 3.12Å; K194-I198 PolarHBondContact O-N 3.02Å; I198-M200 PolarHBondContact O-N 3Å; I198-L201 WeakPolarHBondContact O-CB 3.36Å; I198-L201 WeakPolarHBondContact O-CG 3.49Å; I198-L201 PolarHBondContact O-N 3.16Å; I198-L218 HydrophobicContact CG2-CD2 3.93Å; I198-L221 HydrophobicContact CD1-CD1 4.39Å; I198-L221 HydrophobicContact CG1-CD1 4.1Å; I198-M230 HydrophobicContact CD1-CE 3.54Å; I198-M230 HydrophobicContact CD1-SD 3.93Å; I198-V233 HydrophobicContact CB-CG1 4Å; I198-V233 HydrophobicContact CG2-CG1 3.91Å; I198-T237 HydrophobicContact CG2-CG2 4.3Å; I198-T237 VanDerWaalsContact O-CG2 3.28Å; I198-T237 WeakPolarHBondContact O-CG2 3.21Å |
| 199 | P | 97.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 42 Ų | 42 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -53.9 | -24.6 | 179.1 | -29.6 | 36.7 | 0 | 0 | 0 | 115.3 | L195 L201 Q202 V233 T237 | L195-P199 WeakPolarHBondContact O-CD 3.44Å; P199-L201 PolarHBondContact O-N 3.45Å; P199-Q202 WeakPolarHBondContact O-CB 3.46Å; P199-Q202 WeakPolarHBondContact O-CG 3.3Å; P199-Q202 PolarHBondContact O-N 3.47Å; P199-Q202 VanDerWaalsContact O-N 3.1Å; P199-V233 HydrophobicContact CG-CG1 3.79Å; P199-T237 WeakPolarHBondContact CA-OG1 3.45Å |
| 200 | M | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -62.2 | -27.4 | 177.9 | -61.6 | -165.2 | -64.7 | 0 | 0 | 112.7 | I159 A163 I180 L197 I198 Q202 H203 | I159-M200 HydrophobicContact CB-SD 4.47Å; I159-M200 HydrophobicContact CG2-CE 4.31Å; I159-M200 HydrophobicContact CG2-CG 4.39Å; I159-M200 HydrophobicContact CG2-SD 3.83Å; I159-M200 VanDerWaalsContact O-SD 3.4Å; A163-M200 HydrophobicContact CB-CG 3.98Å; A163-M200 HydrophobicContact CB-SD 4.43Å; I180-M200 HydrophobicContact CB-CE 4.17Å; I180-M200 HydrophobicContact CD1-CE 3.23Å; I180-M200 HydrophobicContact CD1-SD 4.49Å; I180-M200 HydrophobicContact CG1-CE 3.5Å; I180-M200 HydrophobicContact CG2-CE 3.57Å; L197-M200 HydrophobicContact CB-CE 4.25Å; L197-M200 HydrophobicContact CD2-CE 3.37Å; L197-M200 HydrophobicContact CG-CE 4.41Å; L197-M200 VanDerWaalsContact O-CB 3.31Å; L197-M200 WeakPolarHBondContact O-CB 3.42Å; L197-M200 WeakPolarHBondContact O-CG 3.38Å; L197-M200 PolarHBondContact O-N 3.41Å; I198-M200 PolarHBondContact O-N 3Å; M200-Q202 PolarHBondContact O-N 3.37Å; M200-Q202 VanDerWaalsContact O-N 3.14Å; M200-H203 PolarHBondContact O-N 3.45Å; M200-H203 VanDerWaalsContact O-N 3.12Å |
| 201 | L | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -64.3 | -16.3 | 177.7 | -60.1 | 173.7 | 0 | 0 | 0 | 112.5 | I180 I184 I198 P199 H203 M204 L217 L218 T237 | I180-L201 HydrophobicContact CG2-CD2 4.48Å; I184-L201 HydrophobicContact CD1-CD1 4.21Å; I198-L201 WeakPolarHBondContact O-CB 3.36Å; I198-L201 WeakPolarHBondContact O-CG 3.49Å; I198-L201 PolarHBondContact O-N 3.16Å; P199-L201 PolarHBondContact O-N 3.45Å; L201-H203 PolarHBondContact O-N 3.04Å; L201-M204 HydrophobicContact CD2-CG 4.27Å; L201-M204 VanDerWaalsContact O-CB 3.28Å; L201-M204 WeakPolarHBondContact O-CB 3.35Å; L201-M204 WeakPolarHBondContact O-CG 3.43Å; L201-M204 PolarHBondContact O-N 3.17Å; L201-L217 HydrophobicContact CD1-CD2 3.74Å; L201-L217 HydrophobicContact CD1-CG 4.34Å; L201-L217 HydrophobicContact CD2-CD2 4.3Å; L201-L218 HydrophobicContact CB-CD1 4.46Å; L201-L218 HydrophobicContact CB-CD2 4.5Å; L201-L218 HydrophobicContact CD1-CD2 3.73Å; L201-L218 HydrophobicContact CD1-CG 3.99Å; L201-T237 HydrophobicContact CB-CG2 3.96Å |
| 202 | Q | 95.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 37.1 Ų | 37.1 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.7 | 174.2 | 80.6 | -168.2 | -11.9 | 0 | 0 | 112.9 | P199 M200 M204 H205 T237 Q240 | P199-Q202 WeakPolarHBondContact O-CB 3.46Å; P199-Q202 WeakPolarHBondContact O-CG 3.3Å; P199-Q202 PolarHBondContact O-N 3.47Å; P199-Q202 VanDerWaalsContact O-N 3.1Å; M200-Q202 PolarHBondContact O-N 3.37Å; M200-Q202 VanDerWaalsContact O-N 3.14Å; Q202-M204 VanDerWaalsContact C-N 3.28Å; Q202-M204 PolarHBondContact O-N 3.33Å; Q202-H205 PolarHBondContact O-ND1 2.97Å; Q202-H205 VanDerWaalsContact O-ND1 3.08Å; Q202-T237 HydrophobicContact CB-CG2 4.12Å; Q202-Q240 HydrophobicContact CB-CB 3.82Å |
| 203 | H | 96.6 | Very high | 94.4 | Very high | 34 Ų | 34 | 34 Ų | 34 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -87 | 3.2 | -178.8 | -59.8 | -59.9 | 0 | 0 | 0 | 113.3 | A163 A167 M200 L201 H205 H206 | A163-H203 PolarHBondContact O-CD2 3.09Å; A167-H203 WeakPolarHBondContact CB-ND1 3.41Å; M200-H203 PolarHBondContact O-N 3.45Å; M200-H203 VanDerWaalsContact O-N 3.12Å; L201-H203 PolarHBondContact O-N 3.04Å; H203-H205 PolarHBondContact O-N 2.88Å; H203-H205 VanDerWaalsContact O-N 3.09Å; H203-H206 PolarHBondContact O-CD2 3.09Å; H203-H206 VanDerWaalsContact O-CD2 3.23Å; H203-H206 PolarHBondContact O-NE2 3.44Å |
| 204 | M | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 29.5 | -178.6 | -62.1 | -54.9 | 158.3 | 0 | 0 | 113 | A173 I176 C177 L201 Q202 L210 A211 S214 L241 | A173-M204 HydrophobicContact CB-CE 4.31Å; A173-M204 HydrophobicContact CB-SD 3.91Å; I176-M204 HydrophobicContact CG2-CE 4.12Å; C177-M204 HydrophobicContact CB-CE 4.23Å; C177-M204 HydrophobicContact CB-SD 3.95Å; L201-M204 HydrophobicContact CD2-CG 4.27Å; L201-M204 VanDerWaalsContact O-CB 3.28Å; L201-M204 WeakPolarHBondContact O-CB 3.35Å; L201-M204 WeakPolarHBondContact O-CG 3.43Å; L201-M204 PolarHBondContact O-N 3.17Å; Q202-M204 VanDerWaalsContact C-N 3.28Å; Q202-M204 PolarHBondContact O-N 3.33Å; M204-L210 HydrophobicContact CB-CD2 4.29Å; M204-L210 HydrophobicContact CB-CG 3.88Å; M204-L210 HydrophobicContact CG-CG 4.38Å; M204-L210 CarbonylContact O-C 3.55Å; M204-L210 HydrophobicContact SD-CD1 3.91Å; M204-L210 HydrophobicContact SD-CD2 3.79Å; M204-L210 HydrophobicContact SD-CG 3.94Å; M204-A211 VanDerWaalsContact O-CA 3.31Å; M204-A211 WeakPolarHBondContact O-CA 3.48Å; M204-A211 PolarHBondContact O-N 3.27Å; M204-A211 VanDerWaalsContact O-N 3.13Å; M204-S214 WeakPolarHBondContact CB-OG 3.16Å; M204-S214 WeakPolarHBondContact CG-OG 3.27Å; M204-L241 HydrophobicContact CB-CD1 4.18Å |
| 205 | H | 94 | Very high | 94.4 | Very high | 57 Ų | 57 | 34.1 Ų | 34.1 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.4 | -175 | 56.2 | -90.8 | 0 | 0 | 0 | 114.3 | Q202 H203 N207 L241 | Q202-H205 PolarHBondContact O-ND1 2.97Å; Q202-H205 VanDerWaalsContact O-ND1 3.08Å; H203-H205 PolarHBondContact O-N 2.88Å; H203-H205 VanDerWaalsContact O-N 3.09Å; H205-N207 VanDerWaalsContact C-N 3.27Å; H205-N207 PolarHBondContact O-N 2.98Å; H205-L241 HydrophobicContact CB-CD1 4.03Å |
| 206 | H | 93.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -65.5 | -20.7 | -173.6 | -63.9 | -68.2 | 0 | 0 | 0 | 115.5 | S166 K170 H203 | S166-H206 PolarHBondContact O-NE2 3.08Å; K170-H206 HydrophobicContact CB-CB 4Å; K170-H206 HydrophobicContact CD-CB 4.26Å; K170-H206 HydrophobicContact CG-CB 3.78Å; H203-H206 PolarHBondContact O-CD2 3.09Å; H203-H206 VanDerWaalsContact O-CD2 3.23Å; H203-H206 PolarHBondContact O-NE2 3.44Å |
| 207 | N | 91.6 | Very high | 94.3 | Very high | 40 Ų | 40 | 33.8 Ų | 33.8 | 21% | 0.214 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -157.9 | 161 | 174 | 64.4 | 72.5 | 0 | 0 | 0 | 111.1 | H205 S209 L210 A211 | H205-N207 VanDerWaalsContact C-N 3.27Å; H205-N207 PolarHBondContact O-N 2.98Å; N207-S209 PolarHBondContact O-N 2.89Å; N207-S209 PolarHBondContact OD1-N 3.18Å; N207-S209 PolarHBondContact OD1-OG 3.13Å; N207-L210 PolarHBondContact O-N 2.91Å; N207-L210 VanDerWaalsContact OD1-CB 3.23Å; N207-L210 WeakPolarHBondContact OD1-CB 3.49Å; N207-L210 PolarHBondContact OD1-N 2.94Å; N207-A211 WeakPolarHBondContact O-CB 3.38Å; N207-A211 PolarHBondContact O-N 2.94Å |
| 208 | A | 90.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 33.8 Ų | 33.8 | 55% | 0.554 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.2 | -39.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A211 S212 I247 | A208-A211 PolarHBondContact O-N 3.27Å; A208-S212 WeakPolarHBondContact O-CB 3.41Å; A208-S212 PolarHBondContact O-N 3.46Å; A208-I247 HydrophobicContact CB-CD1 4.5Å |
| 209 | S | 91.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.2 | -41.2 | 179.4 | 42.1 | 0 | 0 | 0 | 0 | 112.9 | N207 S212 S213 | N207-S209 PolarHBondContact O-N 2.89Å; N207-S209 PolarHBondContact OD1-N 3.18Å; N207-S209 PolarHBondContact OD1-OG 3.13Å; S209-S212 PolarHBondContact O-N 3.2Å; S209-S213 PolarHBondContact O-N 3.34Å; S209-S213 PolarHBondContact O-OG 3.23Å |
| 210 | L | 92.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.2 | -39.6 | 179.7 | -172.3 | 61.8 | 0 | 0 | 0 | 110.9 | A173 C177 M204 N207 S213 S214 | A173-L210 HydrophobicContact CB-CD2 4.14Å; C177-L210 HydrophobicContact CB-CD1 3.75Å; M204-L210 HydrophobicContact CB-CD2 4.29Å; M204-L210 HydrophobicContact CB-CG 3.88Å; M204-L210 HydrophobicContact CG-CG 4.38Å; M204-L210 CarbonylContact O-C 3.55Å; M204-L210 HydrophobicContact SD-CD1 3.91Å; M204-L210 HydrophobicContact SD-CD2 3.79Å; M204-L210 HydrophobicContact SD-CG 3.94Å; N207-L210 PolarHBondContact O-N 2.91Å; N207-L210 VanDerWaalsContact OD1-CB 3.23Å; N207-L210 WeakPolarHBondContact OD1-CB 3.49Å; N207-L210 PolarHBondContact OD1-N 2.94Å; L210-S213 WeakPolarHBondContact CA-OG 3.48Å; L210-S213 PolarHBondContact O-OG 3.41Å; L210-S213 VanDerWaalsContact O-OG 3.05Å; L210-S214 VanDerWaalsContact O-CB 3.3Å; L210-S214 WeakPolarHBondContact O-CB 3.37Å; L210-S214 PolarHBondContact O-N 3.18Å; L210-S214 VanDerWaalsContact O-N 3.07Å; L210-S214 PolarHBondContact O-OG 3.49Å |
| 211 | A | 93.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M204 N207 A208 R215 | M204-A211 VanDerWaalsContact O-CA 3.31Å; M204-A211 WeakPolarHBondContact O-CA 3.48Å; M204-A211 PolarHBondContact O-N 3.27Å; M204-A211 VanDerWaalsContact O-N 3.13Å; N207-A211 WeakPolarHBondContact O-CB 3.38Å; N207-A211 PolarHBondContact O-N 2.94Å; A208-A211 PolarHBondContact O-N 3.27Å; A211-R215 WeakPolarHBondContact O-CB 3.4Å; A211-R215 PolarHBondContact O-N 3.5Å |
| 212 | S | 92.3 | Very high | 94 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -49.9 | 178.6 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | A208 S209 S214 R215 E216 | A208-S212 WeakPolarHBondContact O-CB 3.41Å; A208-S212 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-N 3.2Å; S212-S214 PolarHBondContact O-N 3.17Å; S212-R215 WeakPolarHBondContact O-CB 3.46Å; S212-R215 PolarHBondContact O-N 3.41Å; S212-R215 VanDerWaalsContact O-N 3.16Å; S212-E216 WeakPolarHBondContact O-CG 3.42Å; S212-E216 PolarHBondContact O-N 3.48Å; S212-E216 PolarHBondContact OG-OE1 3.32Å |
| 213 | S | 92.3 | Very high | 93.8 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.3 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | S209 L210 R215 E216 L217 | S209-S213 PolarHBondContact O-N 3.34Å; S209-S213 PolarHBondContact O-OG 3.23Å; L210-S213 WeakPolarHBondContact CA-OG 3.48Å; L210-S213 PolarHBondContact O-OG 3.41Å; L210-S213 VanDerWaalsContact O-OG 3.05Å; S213-R215 VanDerWaalsContact C-N 3.32Å; S213-R215 PolarHBondContact O-N 3.06Å; S213-E216 PolarHBondContact O-N 3.33Å; S213-L217 PolarHBondContact O-N 3.08Å |
| 214 | S | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 112 | M204 L210 S212 L217 L218 | M204-S214 WeakPolarHBondContact CB-OG 3.16Å; M204-S214 WeakPolarHBondContact CG-OG 3.27Å; L210-S214 VanDerWaalsContact O-CB 3.3Å; L210-S214 WeakPolarHBondContact O-CB 3.37Å; L210-S214 PolarHBondContact O-N 3.18Å; L210-S214 VanDerWaalsContact O-N 3.07Å; L210-S214 PolarHBondContact O-OG 3.49Å; S212-S214 PolarHBondContact O-N 3.17Å; S214-L217 PolarHBondContact O-N 3.28Å; S214-L218 WeakPolarHBondContact O-CB 3.49Å; S214-L218 WeakPolarHBondContact O-CG 3.33Å; S214-L218 PolarHBondContact O-N 2.93Å |
| 215 | R | 94 | Very high | 93.4 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.5 | 163.2 | 160.8 | -156.8 | 115.3 | 12.7 | 111.9 | A211 S212 S213 L218 Q219 F238 D248 K251 | A211-R215 WeakPolarHBondContact O-CB 3.4Å; A211-R215 PolarHBondContact O-N 3.5Å; S212-R215 WeakPolarHBondContact O-CB 3.46Å; S212-R215 PolarHBondContact O-N 3.41Å; S212-R215 VanDerWaalsContact O-N 3.16Å; S213-R215 VanDerWaalsContact C-N 3.32Å; S213-R215 PolarHBondContact O-N 3.06Å; R215-L218 PolarHBondContact O-N 3.43Å; R215-Q219 WeakPolarHBondContact O-CB 3.41Å; R215-Q219 PolarHBondContact O-N 2.78Å; R215-F238 HydrophobicContact CB-CE2 3.96Å; R215-F238 HydrophobicContact CB-CZ 4.37Å; R215-F238 HydrophobicContact CG-CE2 3.51Å; R215-F238 HydrophobicContact CG-CZ 3.59Å; R215-F238 VanDerWaalsContact NH1-CE2 3.31Å; R215-D248 IonicContact NE-OD2 2.93Å; R215-D248 VanDerWaalsContact NH1-CB 3.31Å; R215-K251 VanDerWaalsContact NH2-CB 3.35Å |
| 216 | E | 94.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.5 | -73.8 | 166.6 | -154.1 | 0 | 0 | 111.4 | S212 S213 Q219 Q220 | S212-E216 WeakPolarHBondContact O-CG 3.42Å; S212-E216 PolarHBondContact O-N 3.48Å; S212-E216 PolarHBondContact OG-OE1 3.32Å; S213-E216 PolarHBondContact O-N 3.33Å; E216-Q219 PolarHBondContact O-N 3.01Å; E216-Q220 WeakPolarHBondContact O-CG 3.3Å; E216-Q220 PolarHBondContact O-N 2.91Å |
| 217 | L | 95.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 174.7 | 175.6 | 62.2 | 0 | 0 | 0 | 111.5 | S181 Q185 L201 S213 S214 Q219 Q220 L221 | S181-L217 WeakPolarHBondContact OG-CD2 3.29Å; Q185-L217 HydrophobicContact CG-CD1 4.07Å; L201-L217 HydrophobicContact CD1-CD2 3.74Å; L201-L217 HydrophobicContact CD1-CG 4.34Å; L201-L217 HydrophobicContact CD2-CD2 4.3Å; S213-L217 PolarHBondContact O-N 3.08Å; S214-L217 PolarHBondContact O-N 3.28Å; L217-Q219 VanDerWaalsContact C-N 3.25Å; L217-Q219 PolarHBondContact O-N 3.41Å; L217-Q220 WeakPolarHBondContact O-CB 3.49Å; L217-Q220 PolarHBondContact O-N 3.39Å; L217-Q220 VanDerWaalsContact O-N 3.1Å; L217-L221 HydrophobicContact CD1-CD1 4.21Å; L217-L221 HydrophobicContact CD1-CD2 4.39Å; L217-L221 HydrophobicContact CD1-CG 4.09Å; L217-L221 HydrophobicContact CG-CD1 4.01Å; L217-L221 HydrophobicContact CG-CG 4.31Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.28Å; L217-L221 PolarHBondContact O-N 2.9Å |
| 218 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 178.7 | -71.1 | 167.3 | 0 | 0 | 0 | 111.3 | I198 L201 S214 R215 L221 V222 T234 T237 F238 L241 | I198-L218 HydrophobicContact CG2-CD2 3.93Å; L201-L218 HydrophobicContact CB-CD1 4.46Å; L201-L218 HydrophobicContact CB-CD2 4.5Å; L201-L218 HydrophobicContact CD1-CD2 3.73Å; L201-L218 HydrophobicContact CD1-CG 3.99Å; S214-L218 WeakPolarHBondContact O-CB 3.49Å; S214-L218 WeakPolarHBondContact O-CG 3.33Å; S214-L218 PolarHBondContact O-N 2.93Å; R215-L218 PolarHBondContact O-N 3.43Å; L218-L221 PolarHBondContact O-N 3.41Å; L218-V222 WeakPolarHBondContact O-CG2 3.17Å; L218-V222 PolarHBondContact O-N 3.21Å; L218-T234 HydrophobicContact CB-CG2 4.12Å; L218-T234 HydrophobicContact CD2-CG2 3.57Å; L218-T234 HydrophobicContact CG-CG2 4.47Å; L218-T234 WeakPolarHBondContact O-CG2 3.48Å; L218-T237 HydrophobicContact CD1-CG2 4.32Å; L218-T237 HydrophobicContact CD2-CG2 4.1Å; L218-F238 HydrophobicContact CB-CD1 3.95Å; L218-F238 HydrophobicContact CB-CE1 4.27Å; L218-F238 HydrophobicContact CB-CG 4.17Å; L218-F238 HydrophobicContact CD1-CB 4.05Å; L218-F238 HydrophobicContact CD1-CD2 4.22Å; L218-F238 HydrophobicContact CD1-CG 4.1Å; L218-L241 HydrophobicContact CD1-CD2 4.2Å |
| 219 | Q | 95 | Very high | 94 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.7 | -172.2 | 170.7 | 12 | 0 | 0 | 112.2 | R215 E216 L217 T223 F238 | R215-Q219 WeakPolarHBondContact O-CB 3.41Å; R215-Q219 PolarHBondContact O-N 2.78Å; E216-Q219 PolarHBondContact O-N 3.01Å; L217-Q219 VanDerWaalsContact C-N 3.25Å; L217-Q219 PolarHBondContact O-N 3.41Å; Q219-T223 PolarHBondContact O-N 3.18Å; Q219-T223 PolarHBondContact O-OG1 2.91Å; Q219-F238 HydrophobicContact CB-CE1 4.36Å |
| 220 | Q | 95.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 48.1 Ų | 48.1 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 173.4 | -70.2 | 176.2 | -3.7 | 0 | 0 | 112.3 | E216 L217 T223 S224 | E216-Q220 WeakPolarHBondContact O-CG 3.3Å; E216-Q220 PolarHBondContact O-N 2.91Å; L217-Q220 WeakPolarHBondContact O-CB 3.49Å; L217-Q220 PolarHBondContact O-N 3.39Å; L217-Q220 VanDerWaalsContact O-N 3.1Å; Q220-T223 PolarHBondContact O-N 3.22Å; Q220-T223 PolarHBondContact O-OG1 3.35Å; Q220-S224 VanDerWaalsContact O-CB 3.3Å; Q220-S224 WeakPolarHBondContact O-CB 3.24Å; Q220-S224 PolarHBondContact O-N 2.93Å; Q220-S224 PolarHBondContact O-OG 3.48Å |
| 221 | L | 94.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -39.2 | -179.3 | -68.8 | 175.5 | 0 | 0 | 0 | 112.4 | I184 I198 L217 L218 T223 S224 Y225 T234 | I184-L221 HydrophobicContact CG2-CD1 3.69Å; I184-L221 HydrophobicContact CG2-CD2 3.59Å; I184-L221 HydrophobicContact CG2-CG 4.3Å; I198-L221 HydrophobicContact CD1-CD1 4.39Å; I198-L221 HydrophobicContact CG1-CD1 4.1Å; L217-L221 HydrophobicContact CD1-CD1 4.21Å; L217-L221 HydrophobicContact CD1-CD2 4.39Å; L217-L221 HydrophobicContact CD1-CG 4.09Å; L217-L221 HydrophobicContact CG-CD1 4.01Å; L217-L221 HydrophobicContact CG-CG 4.31Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.28Å; L217-L221 PolarHBondContact O-N 2.9Å; L218-L221 PolarHBondContact O-N 3.41Å; L221-T223 VanDerWaalsContact C-N 3.28Å; L221-T223 PolarHBondContact O-N 3.48Å; L221-S224 WeakPolarHBondContact CA-OG 3.46Å; L221-S224 PolarHBondContact O-N 2.93Å; L221-Y225 HydrophobicContact CD2-CD2 3.84Å; L221-Y225 HydrophobicContact CD2-CE2 3.74Å; L221-Y225 WeakPolarHBondContact O-CB 3.33Å; L221-Y225 PolarHBondContact O-N 3.43Å; L221-T234 HydrophobicContact CB-CG2 3.95Å |
| 222 | V | 94.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | L218 T234 L235 Y259 | L218-V222 WeakPolarHBondContact O-CG2 3.17Å; L218-V222 PolarHBondContact O-N 3.21Å; V222-T234 HydrophobicContact CG2-CG2 3.43Å; V222-T234 VanDerWaalsContact CG2-CG2 3.43Å; V222-L235 HydrophobicContact CG2-CD2 4.25Å; V222-L235 HydrophobicContact CG2-CG 4.48Å; V222-Y259 HydrophobicContact CG1-CE1 4.33Å; V222-Y259 HydrophobicContact CG1-CE2 4.09Å; V222-Y259 WeakPolarHBondContact CG1-OH 3.35Å |
| 223 | T | 91.7 | Very high | 95 | Very high | 109 Ų | 109 | 48.6 Ų | 48.6 | 67% | 0.669 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -79.3 | -36.8 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | Q219 Q220 L221 | Q219-T223 PolarHBondContact O-N 3.18Å; Q219-T223 PolarHBondContact O-OG1 2.91Å; Q220-T223 PolarHBondContact O-N 3.22Å; Q220-T223 PolarHBondContact O-OG1 3.35Å; L221-T223 VanDerWaalsContact C-N 3.28Å; L221-T223 PolarHBondContact O-N 3.48Å |
| 224 | S | 92.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 46 Ų | 46 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -83.3 | -26.2 | -177 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | Q220 L221 P226 | Q220-S224 VanDerWaalsContact O-CB 3.3Å; Q220-S224 WeakPolarHBondContact O-CB 3.24Å; Q220-S224 PolarHBondContact O-N 2.93Å; Q220-S224 PolarHBondContact O-OG 3.48Å; L221-S224 WeakPolarHBondContact CA-OG 3.46Å; L221-S224 PolarHBondContact O-N 2.93Å; S224-P226 WeakPolarHBondContact O-CD 3.38Å |
| 225 | Y | 92.8 | Very high | 95.4 | Very high | 56 Ų | 56 | 46 Ų | 46 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | trans | -120.2 | 80.7 | -178.7 | -65.2 | -87.2 | 0 | 0 | 0 | 111.8 | K194 L221 S227 M230 | K194-Y225 HydrophobicContact CD-CE1 4.46Å; K194-Y225 PolarHBondContact NZ-OH 2.88Å; L221-Y225 HydrophobicContact CD2-CD2 3.84Å; L221-Y225 HydrophobicContact CD2-CE2 3.74Å; L221-Y225 WeakPolarHBondContact O-CB 3.33Å; L221-Y225 PolarHBondContact O-N 3.43Å; Y225-S227 PolarHBondContact O-N 2.76Å; Y225-M230 HydrophobicContact CD1-CE 4.08Å; Y225-M230 HydrophobicContact CD2-CE 4.06Å; Y225-M230 HydrophobicContact CG-CE 3.68Å | ||
| 226 | P | 93.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 47.7 Ų | 47.7 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | trans | -75.3 | 5.7 | -171.2 | 31.6 | -37.5 | 0 | 0 | 0 | 114.5 | S224 R265 | S224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-R265 PolarHBondContact O-NH1 2.85Å | ||
| 227 | S | 95.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -66.5 | 146.5 | 179.9 | 78.3 | 0 | 0 | 0 | 0 | 111.9 | Y225 M230 V231 | Y225-S227 PolarHBondContact O-N 2.76Å; S227-M230 PolarHBondContact O-N 2.92Å; S227-M230 VanDerWaalsContact OG-CB 3.29Å; S227-M230 WeakPolarHBondContact OG-CB 3.44Å; S227-M230 WeakPolarHBondContact OG-CG 3.2Å; S227-M230 PolarHBondContact OG-N 2.68Å; S227-V231 WeakPolarHBondContact O-CG2 3.45Å; S227-V231 PolarHBondContact O-N 3.41Å |
| 228 | T | 96.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56 | -46.8 | -177.1 | -53.8 | 0 | 0 | 0 | 0 | 113.4 | I232 A267 V268 | T228-I232 HydrophobicContact CG2-CD1 3.86Å; T228-I232 WeakPolarHBondContact O-CB 3.36Å; T228-I232 VanDerWaalsContact O-CG1 3.27Å; T228-I232 WeakPolarHBondContact O-CG1 3.33Å; T228-I232 PolarHBondContact O-N 3.12Å; T228-A267 HydrophobicContact CG2-CB 3.87Å; T228-V268 HydrophobicContact CG2-CG2 4.39Å |
| 229 | P | 96.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.7 | -21.4 | 34.9 | 0 | 0 | 0 | 113 | L195 I232 V233 | L195-P229 HydrophobicContact CD1-CB 4.05Å; L195-P229 HydrophobicContact CD2-CB 4.1Å; P229-I232 PolarHBondContact O-N 2.91Å; P229-V233 WeakPolarHBondContact O-CG2 3.41Å; P229-V233 PolarHBondContact O-N 2.9Å |
| 230 | M | 96.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 179.3 | -73.8 | -69.2 | -69.6 | 0 | 0 | 111.5 | V191 K194 L195 I198 Y225 S227 I232 V233 T234 | V191-M230 HydrophobicContact CG1-CG 4.35Å; V191-M230 HydrophobicContact CG1-SD 4.31Å; K194-M230 HydrophobicContact CB-CE 4.36Å; K194-M230 HydrophobicContact CB-SD 4.31Å; L195-M230 HydrophobicContact CD2-CG 4.07Å; L195-M230 HydrophobicContact CD2-SD 3.51Å; L195-M230 VanDerWaalsContact CD2-SD 3.51Å; L195-M230 HydrophobicContact CG-SD 3.95Å; I198-M230 HydrophobicContact CD1-CE 3.54Å; I198-M230 HydrophobicContact CD1-SD 3.93Å; Y225-M230 HydrophobicContact CD1-CE 4.08Å; Y225-M230 HydrophobicContact CD2-CE 4.06Å; Y225-M230 HydrophobicContact CG-CE 3.68Å; S227-M230 PolarHBondContact O-N 2.92Å; S227-M230 VanDerWaalsContact OG-CB 3.29Å; S227-M230 WeakPolarHBondContact OG-CB 3.44Å; S227-M230 WeakPolarHBondContact OG-CG 3.2Å; S227-M230 PolarHBondContact OG-N 2.68Å; M230-I232 VanDerWaalsContact C-N 3.28Å; M230-I232 PolarHBondContact O-N 2.72Å; M230-V233 PolarHBondContact O-N 3.01Å; M230-T234 VanDerWaalsContact O-CB 3.22Å; M230-T234 WeakPolarHBondContact O-CB 3.34Å; M230-T234 PolarHBondContact O-N 2.92Å; M230-T234 PolarHBondContact O-OG1 3.19Å |
| 231 | V | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | S227 L235 Y259 V268 | S227-V231 WeakPolarHBondContact O-CG2 3.45Å; S227-V231 PolarHBondContact O-N 3.41Å; V231-L235 HydrophobicContact CG1-CD1 3.72Å; V231-L235 HydrophobicContact CG1-CG 4.2Å; V231-L235 VanDerWaalsContact O-CB 3.29Å; V231-L235 WeakPolarHBondContact O-CB 3.39Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.31Å; V231-L235 PolarHBondContact O-N 2.86Å; V231-Y259 HydrophobicContact CG1-CE1 4.34Å; V231-V268 HydrophobicContact CG1-CG1 3.98Å; V231-V268 HydrophobicContact CG1-CG2 4.02Å |
| 232 | I | 98.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -54 | 179 | -76.5 | 173.8 | 0 | 0 | 0 | 111.6 | T228 P229 M230 T234 L235 H236 A267 V268 L271 | T228-I232 HydrophobicContact CG2-CD1 3.86Å; T228-I232 WeakPolarHBondContact O-CB 3.36Å; T228-I232 VanDerWaalsContact O-CG1 3.27Å; T228-I232 WeakPolarHBondContact O-CG1 3.33Å; T228-I232 PolarHBondContact O-N 3.12Å; P229-I232 PolarHBondContact O-N 2.91Å; M230-I232 VanDerWaalsContact C-N 3.28Å; M230-I232 PolarHBondContact O-N 2.72Å; I232-T234 VanDerWaalsContact C-N 3.29Å; I232-T234 PolarHBondContact O-N 3.28Å; I232-L235 PolarHBondContact O-N 2.82Å; I232-H236 WeakPolarHBondContact O-CB 3.37Å; I232-H236 PolarHBondContact O-N 2.84Å; I232-A267 HydrophobicContact CD1-CB 3.89Å; I232-V268 HydrophobicContact CG1-CG2 4.39Å; I232-L271 VanDerWaalsContact CA-CD2 3.45Å; I232-L271 HydrophobicContact CB-CD2 3.99Å; I232-L271 HydrophobicContact CG1-CB 4.45Å; I232-L271 HydrophobicContact CG1-CD2 4.09Å; I232-L271 HydrophobicContact CG2-CD2 3.94Å; I232-L271 WeakPolarHBondContact O-CD2 3.5Å |
| 233 | V | 98.1 | Very high | 95.9 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 21% | 0.212 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | -177.6 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L195 I198 P199 P229 M230 T237 | L195-V233 HydrophobicContact CD2-CB 4.04Å; L195-V233 HydrophobicContact CD2-CG2 3.82Å; I198-V233 HydrophobicContact CB-CG1 4Å; I198-V233 HydrophobicContact CG2-CG1 3.91Å; P199-V233 HydrophobicContact CG-CG1 3.79Å; P229-V233 WeakPolarHBondContact O-CG2 3.41Å; P229-V233 PolarHBondContact O-N 2.9Å; M230-V233 PolarHBondContact O-N 3.01Å; V233-T237 WeakPolarHBondContact O-CB 3.48Å; V233-T237 PolarHBondContact O-N 3.21Å; V233-T237 PolarHBondContact O-OG1 2.81Å |
| 234 | T | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.8 | -49 | -179.6 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | L218 L221 V222 M230 I232 H236 T237 F238 | L218-T234 HydrophobicContact CB-CG2 4.12Å; L218-T234 HydrophobicContact CD2-CG2 3.57Å; L218-T234 HydrophobicContact CG-CG2 4.47Å; L218-T234 WeakPolarHBondContact O-CG2 3.48Å; L221-T234 HydrophobicContact CB-CG2 3.95Å; V222-T234 HydrophobicContact CG2-CG2 3.43Å; V222-T234 VanDerWaalsContact CG2-CG2 3.43Å; M230-T234 VanDerWaalsContact O-CB 3.22Å; M230-T234 WeakPolarHBondContact O-CB 3.34Å; M230-T234 PolarHBondContact O-N 2.92Å; M230-T234 PolarHBondContact O-OG1 3.19Å; I232-T234 VanDerWaalsContact C-N 3.29Å; I232-T234 PolarHBondContact O-N 3.28Å; T234-H236 VanDerWaalsContact C-N 3.34Å; T234-H236 PolarHBondContact O-N 3.17Å; T234-T237 PolarHBondContact O-N 3.46Å; T234-F238 WeakPolarHBondContact O-CB 3.39Å; T234-F238 PolarHBondContact O-N 2.9Å |
| 235 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 177.6 | -74.9 | 177.8 | 0 | 0 | 0 | 112 | V222 V231 I232 F238 T239 L255 Y259 V268 L271 | V222-L235 HydrophobicContact CG2-CD2 4.25Å; V222-L235 HydrophobicContact CG2-CG 4.48Å; V231-L235 HydrophobicContact CG1-CD1 3.72Å; V231-L235 HydrophobicContact CG1-CG 4.2Å; V231-L235 VanDerWaalsContact O-CB 3.29Å; V231-L235 WeakPolarHBondContact O-CB 3.39Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.31Å; V231-L235 PolarHBondContact O-N 2.86Å; I232-L235 PolarHBondContact O-N 2.82Å; L235-F238 WeakPolarHBondContact O-CB 3.43Å; L235-F238 PolarHBondContact O-N 2.81Å; L235-T239 PolarHBondContact O-N 3.07Å; L235-T239 PolarHBondContact O-OG1 2.59Å; L235-T239 VanDerWaalsContact O-OG1 3.09Å; L235-L255 HydrophobicContact CD2-CD2 3.99Å; L235-L255 HydrophobicContact CD2-CG 4.39Å; L235-Y259 HydrophobicContact CD1-CD1 4.22Å; L235-Y259 HydrophobicContact CD1-CD2 4.05Å; L235-Y259 HydrophobicContact CD1-CE2 4.46Å; L235-Y259 HydrophobicContact CD1-CG 3.97Å; L235-Y259 HydrophobicContact CD2-CD2 4.01Å; L235-Y259 HydrophobicContact CD2-CE2 4.03Å; L235-V268 HydrophobicContact CD1-CG1 4.08Å; L235-L271 HydrophobicContact CB-CD2 3.86Å |
| 236 | H | 98.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 31.4 Ų | 31.4 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 177.9 | -170.3 | 59.6 | 0 | 0 | 0 | 111.7 | I232 T234 F238 T239 Q240 L271 D275 | I232-H236 WeakPolarHBondContact O-CB 3.37Å; I232-H236 PolarHBondContact O-N 2.84Å; T234-H236 VanDerWaalsContact C-N 3.34Å; T234-H236 PolarHBondContact O-N 3.17Å; H236-F238 VanDerWaalsContact C-N 3.28Å; H236-F238 PolarHBondContact O-N 2.82Å; H236-T239 WeakPolarHBondContact O-CB 3.26Å; H236-T239 PolarHBondContact O-N 2.87Å; H236-Q240 PolarHBondContact CE1-NE2 2.72Å; H236-Q240 PolarHBondContact NE2-NE2 2.92Å; H236-Q240 VanDerWaalsContact NE2-NE2 3.16Å; H236-Q240 WeakPolarHBondContact O-CG 3.38Å; H236-Q240 PolarHBondContact O-N 2.66Å; H236-L271 HydrophobicContact CB-CD1 4.04Å; H236-L271 HydrophobicContact CB-CD2 4.36Å; H236-D275 WeakPolarHBondContact CA-OD2 3.35Å; H236-D275 IonicContact CE1-OD1 2.94Å; H236-D275 IonicContact ND1-OD1 3.83Å; H236-D275 PolarHBondContact ND1-OD1 2.89Å; H236-D275 IonicContact ND1-OD2 2.72Å |
| 237 | T | 97.7 | Very high | 95 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | I198 P199 L201 Q202 L218 V233 T234 Q240 L241 | I198-T237 HydrophobicContact CG2-CG2 4.3Å; I198-T237 VanDerWaalsContact O-CG2 3.28Å; I198-T237 WeakPolarHBondContact O-CG2 3.21Å; P199-T237 WeakPolarHBondContact CA-OG1 3.45Å; L201-T237 HydrophobicContact CB-CG2 3.96Å; Q202-T237 HydrophobicContact CB-CG2 4.12Å; L218-T237 HydrophobicContact CD1-CG2 4.32Å; L218-T237 HydrophobicContact CD2-CG2 4.1Å; V233-T237 WeakPolarHBondContact O-CB 3.48Å; V233-T237 PolarHBondContact O-N 3.21Å; V233-T237 PolarHBondContact O-OG1 2.81Å; T234-T237 PolarHBondContact O-N 3.46Å; T237-Q240 PolarHBondContact O-N 3.02Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 PolarHBondContact O-N 3.2Å |
| 238 | F | 95.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 176.3 | -152.6 | 161.8 | 0 | 0 | 0 | 111.6 | R215 L218 Q219 T234 L235 H236 L241 A242 L255 | R215-F238 HydrophobicContact CB-CE2 3.96Å; R215-F238 HydrophobicContact CB-CZ 4.37Å; R215-F238 HydrophobicContact CG-CE2 3.51Å; R215-F238 HydrophobicContact CG-CZ 3.59Å; R215-F238 VanDerWaalsContact NH1-CE2 3.31Å; L218-F238 HydrophobicContact CB-CD1 3.95Å; L218-F238 HydrophobicContact CB-CE1 4.27Å; L218-F238 HydrophobicContact CB-CG 4.17Å; L218-F238 HydrophobicContact CD1-CB 4.05Å; L218-F238 HydrophobicContact CD1-CD2 4.22Å; L218-F238 HydrophobicContact CD1-CG 4.1Å; Q219-F238 HydrophobicContact CB-CE1 4.36Å; T234-F238 WeakPolarHBondContact O-CB 3.39Å; T234-F238 PolarHBondContact O-N 2.9Å; L235-F238 WeakPolarHBondContact O-CB 3.43Å; L235-F238 PolarHBondContact O-N 2.81Å; H236-F238 VanDerWaalsContact C-N 3.28Å; H236-F238 PolarHBondContact O-N 2.82Å; F238-L241 PolarHBondContact O-N 2.9Å; F238-A242 WeakPolarHBondContact O-CB 3.47Å; F238-A242 PolarHBondContact O-N 3.08Å; F238-L255 HydrophobicContact CD1-CD2 3.83Å; F238-L255 HydrophobicContact CE1-CD2 3.65Å; F238-L255 HydrophobicContact CZ-CD2 4.41Å |
| 239 | T | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.6 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L235 H236 L241 A242 A243 Q252 D275 L278 L279 | L235-T239 PolarHBondContact O-N 3.07Å; L235-T239 PolarHBondContact O-OG1 2.59Å; L235-T239 VanDerWaalsContact O-OG1 3.09Å; H236-T239 WeakPolarHBondContact O-CB 3.26Å; H236-T239 PolarHBondContact O-N 2.87Å; T239-L241 PolarHBondContact O-N 3.1Å; T239-A242 PolarHBondContact O-N 2.77Å; T239-A243 WeakPolarHBondContact O-CB 3.42Å; T239-A243 PolarHBondContact O-N 2.69Å; T239-Q252 PolarHBondContact OG1-NE2 3.42Å; T239-D275 VanDerWaalsContact CB-OD2 3.3Å; T239-D275 WeakPolarHBondContact CB-OD2 3.37Å; T239-D275 HydrophobicContact CG2-CB 3.75Å; T239-D275 VanDerWaalsContact OG1-CG 3.31Å; T239-D275 PolarHBondContact OG1-OD2 2.94Å; T239-L278 HydrophobicContact CG2-CD2 4.08Å; T239-L279 HydrophobicContact CG2-CD1 4.2Å; T239-L279 HydrophobicContact CG2-CD2 4.13Å; T239-L279 HydrophobicContact CG2-CG 3.99Å |
| 240 | Q | 96.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.1 | -67.5 | -67 | -4.7 | 0 | 0 | 112.4 | Q202 H236 T237 S244 | Q202-Q240 HydrophobicContact CB-CB 3.82Å; H236-Q240 PolarHBondContact CE1-NE2 2.72Å; H236-Q240 PolarHBondContact NE2-NE2 2.92Å; H236-Q240 VanDerWaalsContact NE2-NE2 3.16Å; H236-Q240 WeakPolarHBondContact O-CG 3.38Å; H236-Q240 PolarHBondContact O-N 2.66Å; T237-Q240 PolarHBondContact O-N 3.02Å; Q240-S244 VanDerWaalsContact O-CB 3.31Å; Q240-S244 WeakPolarHBondContact O-CB 3.07Å; Q240-S244 PolarHBondContact O-N 3.12Å; Q240-S244 PolarHBondContact O-OG 3.44Å |
| 241 | L | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 175 | 179.7 | 63.4 | 0 | 0 | 0 | 111.5 | M204 H205 L218 T237 F238 T239 A243 S244 S245 | M204-L241 HydrophobicContact CB-CD1 4.18Å; H205-L241 HydrophobicContact CB-CD1 4.03Å; L218-L241 HydrophobicContact CD1-CD2 4.2Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 PolarHBondContact O-N 3.2Å; F238-L241 PolarHBondContact O-N 2.9Å; T239-L241 PolarHBondContact O-N 3.1Å; L241-A243 VanDerWaalsContact C-N 3.35Å; L241-A243 PolarHBondContact O-N 3.22Å; L241-S244 PolarHBondContact O-N 3.47Å; L241-S245 WeakPolarHBondContact O-CB 3.47Å; L241-S245 PolarHBondContact O-N 2.9Å; L241-S245 PolarHBondContact O-OG 3.22Å |
| 242 | A | 94.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | F238 T239 S244 S245 L246 I249 Q252 | F238-A242 WeakPolarHBondContact O-CB 3.47Å; F238-A242 PolarHBondContact O-N 3.08Å; T239-A242 PolarHBondContact O-N 2.77Å; A242-S244 VanDerWaalsContact C-N 3.31Å; A242-S244 PolarHBondContact O-N 3.32Å; A242-S245 PolarHBondContact O-OG 3.27Å; A242-L246 WeakPolarHBondContact O-CA 3.22Å; A242-L246 PolarHBondContact O-N 2.93Å; A242-I249 HydrophobicContact CB-CG1 4.49Å; A242-Q252 HydrophobicContact CB-CB 4.07Å; A242-Q252 HydrophobicContact CB-CG 4.17Å |
| 243 | A | 94 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T239 L241 L246 L278 L279 K282 | T239-A243 WeakPolarHBondContact O-CB 3.42Å; T239-A243 PolarHBondContact O-N 2.69Å; L241-A243 VanDerWaalsContact C-N 3.35Å; L241-A243 PolarHBondContact O-N 3.22Å; A243-L246 WeakPolarHBondContact O-CD2 3.28Å; A243-L278 HydrophobicContact CB-CD2 3.99Å; A243-L279 HydrophobicContact CB-CD2 4.12Å; A243-K282 HydrophobicContact CB-CD 3.77Å; A243-K282 WeakPolarHBondContact O-CD 3.37Å; A243-K282 WeakPolarHBondContact O-CE 3.32Å; A243-K282 PolarHBondContact O-NZ 2.85Å |
| 244 | S | 93.4 | Very high | 94 | Very high | 48 Ų | 48 | 33.1 Ų | 33.1 | 34% | 0.336 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -83.8 | -39.2 | -177 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | Q240 L241 A242 L246 | Q240-S244 VanDerWaalsContact O-CB 3.31Å; Q240-S244 WeakPolarHBondContact O-CB 3.07Å; Q240-S244 PolarHBondContact O-N 3.12Å; Q240-S244 PolarHBondContact O-OG 3.44Å; L241-S244 PolarHBondContact O-N 3.47Å; A242-S244 VanDerWaalsContact C-N 3.31Å; A242-S244 PolarHBondContact O-N 3.32Å; S244-L246 VanDerWaalsContact C-N 3.33Å |
| 245 | S | 90.8 | Very high | 94 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.8 | -21.2 | 175.8 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | L241 A242 I247 | L241-S245 WeakPolarHBondContact O-CB 3.47Å; L241-S245 PolarHBondContact O-N 2.9Å; L241-S245 PolarHBondContact O-OG 3.22Å; A242-S245 PolarHBondContact O-OG 3.27Å; S245-I247 WeakPolarHBondContact O-CG1 3.15Å; S245-I247 PolarHBondContact O-N 3.4Å; S245-I247 VanDerWaalsContact O-N 3.1Å; S245-I247 PolarHBondContact OG-N 2.91Å |
| 246 | L | 85.3 | Confident | 94 | Very high | 110 Ų | 110 | 34.6 Ų | 34.6 | 58% | 0.576 | 18% | 0.18 | S | C | * | . | trans | 57.1 | 16.1 | -170.7 | -56.2 | 174 | 0 | 0 | 0 | 113.5 | A242 A243 S244 I249 | A242-L246 WeakPolarHBondContact O-CA 3.22Å; A242-L246 PolarHBondContact O-N 2.93Å; A243-L246 WeakPolarHBondContact O-CD2 3.28Å; S244-L246 VanDerWaalsContact C-N 3.33Å; L246-I249 HydrophobicContact CD2-CD1 3.95Å | ||
| 247 | I | 81.9 | Confident | 94 | Very high | 78 Ų | 78 | 31.6 Ų | 31.6 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -103.2 | 142.8 | 178.1 | -63 | 164.4 | 0 | 0 | 0 | 108.2 | A208 S245 I249 | A208-I247 HydrophobicContact CB-CD1 4.5Å; S245-I247 WeakPolarHBondContact O-CG1 3.15Å; S245-I247 PolarHBondContact O-N 3.4Å; S245-I247 VanDerWaalsContact O-N 3.1Å; S245-I247 PolarHBondContact OG-N 2.91Å; I247-I249 PolarHBondContact O-N 3Å |
| 248 | D | 87.3 | Confident | 94 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 57.3 | 21.8 | 175.4 | -69.4 | -38.1 | 0 | 0 | 0 | 115.7 | R215 P250 K251 Q252 | R215-D248 IonicContact NE-OD2 2.93Å; R215-D248 VanDerWaalsContact NH1-CB 3.31Å; D248-P250 VanDerWaalsContact C-CD 3.5Å; D248-P250 VanDerWaalsContact C-N 3.31Å; D248-K251 HydrophobicContact CB-CB 4.33Å; D248-K251 HydrophobicContact CB-CD 4.14Å; D248-K251 HydrophobicContact CB-CG 4.48Å; D248-K251 PolarHBondContact O-N 2.64Å; D248-K251 VanDerWaalsContact O-N 3.11Å; D248-K251 WeakPolarHBondContact OD1-CD 3.42Å; D248-K251 VanDerWaalsContact OD1-CE 3.26Å; D248-K251 WeakPolarHBondContact OD1-CE 3.16Å; D248-K251 IonicContact OD1-NZ 3.81Å; D248-K251 PolarHBondContact OD1-NZ 2.97Å; D248-K251 IonicContact OD2-NZ 2.63Å; D248-Q252 PolarHBondContact O-N 3.38Å |
| 249 | I | 92.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.6 | -44.1 | 171.7 | -68.9 | 174.3 | 0 | 0 | 0 | 111.5 | A242 L246 I247 K251 Q252 L253 L279 A283 L286 | A242-I249 HydrophobicContact CB-CG1 4.49Å; L246-I249 HydrophobicContact CD2-CD1 3.95Å; I247-I249 PolarHBondContact O-N 3Å; I249-K251 VanDerWaalsContact C-N 3.33Å; I249-K251 PolarHBondContact O-N 3.41Å; I249-Q252 WeakPolarHBondContact O-CA 3.48Å; I249-Q252 WeakPolarHBondContact O-CB 3.34Å; I249-Q252 PolarHBondContact O-N 3.01Å; I249-L253 HydrophobicContact CG2-CD1 4.25Å; I249-L253 HydrophobicContact CG2-CG 4.28Å; I249-L253 WeakPolarHBondContact O-CG 3.29Å; I249-L253 PolarHBondContact O-N 3.37Å; I249-L279 HydrophobicContact CG2-CD2 4.44Å; I249-A283 HydrophobicContact CD1-CB 3.95Å; I249-L286 HydrophobicContact CB-CD1 3.86Å; I249-L286 HydrophobicContact CD1-CD1 3.71Å; I249-L286 HydrophobicContact CG1-CD1 4.32Å; I249-L286 HydrophobicContact CG2-CB 4.32Å; I249-L286 HydrophobicContact CG2-CD1 3.96Å |
| 250 | P | 94.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 176.1 | -27.5 | 36.5 | 0 | 0 | 0 | 113.8 | D248 Q252 L253 Q254 | D248-P250 VanDerWaalsContact C-CD 3.5Å; D248-P250 VanDerWaalsContact C-N 3.31Å; P250-Q252 VanDerWaalsContact C-N 3.31Å; P250-Q252 PolarHBondContact O-N 3.26Å; P250-L253 PolarHBondContact O-N 3.44Å; P250-Q254 WeakPolarHBondContact O-CG 3.31Å; P250-Q254 PolarHBondContact O-N 3.02Å |
| 251 | K | 94 | Very high | 94.1 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 47% | 0.465 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.7 | -35.6 | 175.6 | -62.7 | -179.7 | -173.2 | 151.4 | 0 | 111.4 | R215 D248 I249 Q254 L255 | R215-K251 VanDerWaalsContact NH2-CB 3.35Å; D248-K251 HydrophobicContact CB-CB 4.33Å; D248-K251 HydrophobicContact CB-CD 4.14Å; D248-K251 HydrophobicContact CB-CG 4.48Å; D248-K251 PolarHBondContact O-N 2.64Å; D248-K251 VanDerWaalsContact O-N 3.11Å; D248-K251 WeakPolarHBondContact OD1-CD 3.42Å; D248-K251 VanDerWaalsContact OD1-CE 3.26Å; D248-K251 WeakPolarHBondContact OD1-CE 3.16Å; D248-K251 IonicContact OD1-NZ 3.81Å; D248-K251 PolarHBondContact OD1-NZ 2.97Å; D248-K251 IonicContact OD2-NZ 2.63Å; I249-K251 VanDerWaalsContact C-N 3.33Å; I249-K251 PolarHBondContact O-N 3.41Å; K251-Q254 PolarHBondContact O-N 2.89Å; K251-L255 WeakPolarHBondContact O-CB 3.47Å; K251-L255 PolarHBondContact O-N 3.43Å |
| 252 | Q | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 175.5 | -173.4 | 61 | 13.5 | 0 | 0 | 111.9 | T239 A242 D248 I249 P250 Q254 L255 L256 L279 | T239-Q252 PolarHBondContact OG1-NE2 3.42Å; A242-Q252 HydrophobicContact CB-CB 4.07Å; A242-Q252 HydrophobicContact CB-CG 4.17Å; D248-Q252 PolarHBondContact O-N 3.38Å; I249-Q252 WeakPolarHBondContact O-CA 3.48Å; I249-Q252 WeakPolarHBondContact O-CB 3.34Å; I249-Q252 PolarHBondContact O-N 3.01Å; P250-Q252 VanDerWaalsContact C-N 3.31Å; P250-Q252 PolarHBondContact O-N 3.26Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.49Å; Q252-L255 PolarHBondContact O-N 2.79Å; Q252-L256 HydrophobicContact CG-CD1 4.12Å; Q252-L256 HydrophobicContact CG-CG 4.41Å; Q252-L256 VanDerWaalsContact O-CG 3.3Å; Q252-L256 WeakPolarHBondContact O-CG 3.47Å; Q252-L256 PolarHBondContact O-N 3.49Å; Q252-L279 HydrophobicContact CG-CD1 4.13Å |
| 253 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 173.7 | -70.1 | 174.7 | 0 | 0 | 0 | 111 | I249 P250 L255 L256 L257 L276 L279 W287 | I249-L253 HydrophobicContact CG2-CD1 4.25Å; I249-L253 HydrophobicContact CG2-CG 4.28Å; I249-L253 WeakPolarHBondContact O-CG 3.29Å; I249-L253 PolarHBondContact O-N 3.37Å; P250-L253 PolarHBondContact O-N 3.44Å; L253-L255 PolarHBondContact O-N 3.26Å; L253-L256 PolarHBondContact O-N 2.76Å; L253-L257 WeakPolarHBondContact O-CB 3.33Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 3.16Å; L253-L276 HydrophobicContact CD2-CD2 3.7Å; L253-L279 HydrophobicContact CD2-CB 4.09Å; L253-L279 HydrophobicContact CD2-CD1 3.62Å; L253-L279 HydrophobicContact CG-CD1 4.24Å; L253-W287 HydrophobicContact CD1-CD2 4.11Å; L253-W287 HydrophobicContact CD1-CG 4.14Å; L253-W287 HydrophobicContact CD2-CD2 4.27Å; L253-W287 HydrophobicContact CD2-CH2 4.03Å; L253-W287 HydrophobicContact CD2-CZ2 3.46Å; L253-W287 VanDerWaalsContact CD2-CZ2 3.46Å |
| 254 | Q | 96.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 176.3 | -72.6 | 172.8 | -15.6 | 0 | 0 | 112 | P250 K251 Q252 L257 Q258 | P250-Q254 WeakPolarHBondContact O-CG 3.31Å; P250-Q254 PolarHBondContact O-N 3.02Å; K251-Q254 PolarHBondContact O-N 2.89Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.49Å; Q254-L257 PolarHBondContact O-N 3.09Å; Q254-Q258 WeakPolarHBondContact O-CB 3.4Å; Q254-Q258 PolarHBondContact O-N 2.86Å |
| 255 | L | 96.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 177.8 | -174.3 | 67.6 | 0 | 0 | 0 | 111.8 | L235 F238 K251 Q252 L253 L257 Q258 Y259 | L235-L255 HydrophobicContact CD2-CD2 3.99Å; L235-L255 HydrophobicContact CD2-CG 4.39Å; F238-L255 HydrophobicContact CD1-CD2 3.83Å; F238-L255 HydrophobicContact CE1-CD2 3.65Å; F238-L255 HydrophobicContact CZ-CD2 4.41Å; K251-L255 WeakPolarHBondContact O-CB 3.47Å; K251-L255 PolarHBondContact O-N 3.43Å; Q252-L255 PolarHBondContact O-N 2.79Å; L253-L255 PolarHBondContact O-N 3.26Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 3.1Å; L255-Q258 WeakPolarHBondContact O-CB 3.35Å; L255-Q258 PolarHBondContact O-N 3.06Å; L255-Y259 HydrophobicContact CD1-CD2 4.1Å; L255-Y259 HydrophobicContact CD1-CE2 3.71Å; L255-Y259 HydrophobicContact CG-CD2 4.09Å; L255-Y259 HydrophobicContact CG-CE2 4.07Å; L255-Y259 WeakPolarHBondContact O-CD2 3.02Å; L255-Y259 PolarHBondContact O-N 3.42Å |
| 256 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 179.9 | -68.3 | 172.3 | 0 | 0 | 0 | 112 | Q252 L253 Y259 L260 A272 D275 L276 L279 | Q252-L256 HydrophobicContact CG-CD1 4.12Å; Q252-L256 HydrophobicContact CG-CG 4.41Å; Q252-L256 VanDerWaalsContact O-CG 3.3Å; Q252-L256 WeakPolarHBondContact O-CG 3.47Å; Q252-L256 PolarHBondContact O-N 3.49Å; L253-L256 PolarHBondContact O-N 2.76Å; L256-Y259 PolarHBondContact O-N 3.44Å; L256-L260 VanDerWaalsContact O-CB 3.3Å; L256-L260 WeakPolarHBondContact O-CB 2.89Å; L256-L260 PolarHBondContact O-N 3.43Å; L256-A272 HydrophobicContact CD2-CB 4.37Å; L256-D275 HydrophobicContact CD1-CB 3.78Å; L256-D275 HydrophobicContact CD2-CB 4.08Å; L256-L276 HydrophobicContact CB-CD2 3.81Å; L256-L276 HydrophobicContact CB-CG 4.04Å; L256-L276 HydrophobicContact CD1-CD2 3.98Å; L256-L276 HydrophobicContact CD1-CG 4.21Å; L256-L279 HydrophobicContact CD1-CD1 3.85Å |
| 257 | L | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.9 | -71.7 | 168.9 | 0 | 0 | 0 | 111.7 | L253 Q254 L255 L260 K261 L276 N291 T294 L295 | L253-L257 WeakPolarHBondContact O-CB 3.33Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 3.16Å; Q254-L257 PolarHBondContact O-N 3.09Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 3.1Å; L257-L260 PolarHBondContact O-N 3.38Å; L257-K261 WeakPolarHBondContact O-CB 3.26Å; L257-K261 PolarHBondContact O-N 2.85Å; L257-L276 HydrophobicContact CD2-CD1 3.99Å; L257-L276 HydrophobicContact CG-CD2 4.38Å; L257-N291 HydrophobicContact CD1-CB 3.74Å; L257-T294 HydrophobicContact CB-CG2 4.03Å; L257-T294 HydrophobicContact CD1-CG2 4.49Å; L257-T294 HydrophobicContact CD2-CG2 4.37Å; L257-L295 HydrophobicContact CD2-CB 3.96Å; L257-L295 HydrophobicContact CD2-CD1 4.29Å |
| 258 | Q | 97.3 | Very high | 96 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 173.4 | -173.5 | -177.9 | 0.6 | 0 | 0 | 111.1 | Q254 L255 L260 K261 E262 | Q254-Q258 WeakPolarHBondContact O-CB 3.4Å; Q254-Q258 PolarHBondContact O-N 2.86Å; L255-Q258 WeakPolarHBondContact O-CB 3.35Å; L255-Q258 PolarHBondContact O-N 3.06Å; Q258-L260 VanDerWaalsContact C-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.06Å; Q258-K261 PolarHBondContact O-N 2.99Å; Q258-K261 VanDerWaalsContact O-N 3.1Å; Q258-E262 HydrophobicContact CG-CG 4.29Å; Q258-E262 VanDerWaalsContact CG-OE2 3.26Å; Q258-E262 WeakPolarHBondContact CG-OE2 3.22Å; Q258-E262 PolarHBondContact NE2-OE2 3.06Å; Q258-E262 WeakPolarHBondContact O-CB 3.4Å; Q258-E262 PolarHBondContact O-N 3.42Å |
| 259 | Y | 97.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -36.2 | 174.4 | -86.1 | -77.6 | 0 | 0 | 0 | 112.3 | V222 V231 L235 L255 L256 K261 D263 V268 | V222-Y259 HydrophobicContact CG1-CE1 4.33Å; V222-Y259 HydrophobicContact CG1-CE2 4.09Å; V222-Y259 WeakPolarHBondContact CG1-OH 3.35Å; V231-Y259 HydrophobicContact CG1-CE1 4.34Å; L235-Y259 HydrophobicContact CD1-CD1 4.22Å; L235-Y259 HydrophobicContact CD1-CD2 4.05Å; L235-Y259 HydrophobicContact CD1-CE2 4.46Å; L235-Y259 HydrophobicContact CD1-CG 3.97Å; L235-Y259 HydrophobicContact CD2-CD2 4.01Å; L235-Y259 HydrophobicContact CD2-CE2 4.03Å; L255-Y259 HydrophobicContact CD1-CD2 4.1Å; L255-Y259 HydrophobicContact CD1-CE2 3.71Å; L255-Y259 HydrophobicContact CG-CD2 4.09Å; L255-Y259 HydrophobicContact CG-CE2 4.07Å; L255-Y259 WeakPolarHBondContact O-CD2 3.02Å; L255-Y259 PolarHBondContact O-N 3.42Å; L256-Y259 PolarHBondContact O-N 3.44Å; Y259-K261 VanDerWaalsContact C-N 3.32Å; Y259-K261 PolarHBondContact O-N 3.11Å; Y259-D263 HydrophobicContact CD1-CB 3.98Å; Y259-D263 WeakPolarHBondContact O-CB 2.91Å; Y259-D263 PolarHBondContact O-N 3.06Å; Y259-D263 VanDerWaalsContact O-N 3.15Å; Y259-V268 HydrophobicContact CD1-CG1 3.92Å; Y259-V268 HydrophobicContact CG-CG1 4.46Å |
| 260 | L | 97.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 176 | -175.1 | 59.8 | 0 | 0 | 0 | 112.5 | L256 L257 Q258 K269 A272 I273 L276 L295 C298 M311 | L256-L260 VanDerWaalsContact O-CB 3.3Å; L256-L260 WeakPolarHBondContact O-CB 2.89Å; L256-L260 PolarHBondContact O-N 3.43Å; L257-L260 PolarHBondContact O-N 3.38Å; Q258-L260 VanDerWaalsContact C-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.06Å; L260-K269 HydrophobicContact CD1-CB 3.94Å; L260-K269 HydrophobicContact CD1-CD 4.45Å; L260-K269 HydrophobicContact CD1-CG 4.24Å; L260-K269 PolarHBondContact O-NZ 2.97Å; L260-A272 HydrophobicContact CB-CB 4.4Å; L260-I273 HydrophobicContact CD1-CD1 4.07Å; L260-I273 HydrophobicContact CD1-CG1 3.86Å; L260-I273 HydrophobicContact CD2-CG1 4.34Å; L260-L276 HydrophobicContact CD2-CD1 3.98Å; L260-L295 HydrophobicContact CD2-CD1 3.58Å; L260-C298 HydrophobicContact CD2-CB 4.34Å; L260-C298 HydrophobicContact CG-CB 4.28Å; L260-M311 HydrophobicContact CD1-SD 4.24Å; L260-M311 HydrophobicContact CD2-CG 4.06Å; L260-M311 HydrophobicContact CD2-SD 3.82Å; L260-M311 HydrophobicContact CG-SD 4.24Å |
| 261 | K | 96 | Very high | 96.9 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 50% | 0.496 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81 | -55.1 | 178.3 | -168.8 | 165 | -178.3 | 162.2 | 0 | 111.4 | L257 Q258 Y259 K269 E297 | L257-K261 WeakPolarHBondContact O-CB 3.26Å; L257-K261 PolarHBondContact O-N 2.85Å; Q258-K261 PolarHBondContact O-N 2.99Å; Q258-K261 VanDerWaalsContact O-N 3.1Å; Y259-K261 VanDerWaalsContact C-N 3.32Å; Y259-K261 PolarHBondContact O-N 3.11Å; K261-K269 PolarHBondContact O-NZ 2.85Å; K261-E297 IonicContact NZ-OE2 3.39Å; K261-E297 PolarHBondContact NZ-OE2 2.97Å |
| 262 | E | 95.9 | Very high | 97.1 | Very high | 132 Ų | 132 | 48.4 Ų | 48.4 | 62% | 0.617 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -90.2 | -34.7 | -165.3 | -61.9 | 176.9 | 175.7 | 0 | 0 | 113.9 | Q258 | Q258-E262 HydrophobicContact CG-CG 4.29Å; Q258-E262 VanDerWaalsContact CG-OE2 3.26Å; Q258-E262 WeakPolarHBondContact CG-OE2 3.22Å; Q258-E262 PolarHBondContact NE2-OE2 3.06Å; Q258-E262 WeakPolarHBondContact O-CB 3.4Å; Q258-E262 PolarHBondContact O-N 3.42Å |
| 263 | D | 96.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -76 | 125.3 | -171.4 | -167 | -83 | 0 | 0 | 0 | 112.3 | Y259 R265 V268 K269 | Y259-D263 HydrophobicContact CD1-CB 3.98Å; Y259-D263 WeakPolarHBondContact O-CB 2.91Å; Y259-D263 PolarHBondContact O-N 3.06Å; Y259-D263 VanDerWaalsContact O-N 3.15Å; D263-R265 VanDerWaalsContact C-N 3.29Å; D263-R265 PolarHBondContact O-N 3.2Å; D263-R265 WeakPolarHBondContact OD1-CA 3.28Å; D263-R265 WeakPolarHBondContact OD1-CB 3.44Å; D263-R265 WeakPolarHBondContact OD1-CG 3.5Å; D263-R265 IonicContact OD1-CZ 3.42Å; D263-R265 PolarHBondContact OD1-N 2.87Å; D263-R265 IonicContact OD1-NE 3.88Å; D263-R265 PolarHBondContact OD1-NE 3.49Å; D263-R265 IonicContact OD1-NH2 2.66Å; D263-R265 IonicContact OD2-CZ 3.75Å; D263-R265 VanDerWaalsContact OD2-CZ 3.23Å; D263-R265 IonicContact OD2-NE 3.12Å; D263-R265 PolarHBondContact OD2-NE 3.34Å; D263-R265 IonicContact OD2-NH2 2.94Å; D263-R265 PolarHBondContact OD2-NH2 3.05Å; D263-V268 HydrophobicContact CB-CG1 4.38Å; D263-K269 WeakPolarHBondContact O-CE 3.32Å; D263-K269 PolarHBondContact O-NZ 3.14Å | ||
| 264 | P | 95.3 | Very high | 97.3 | Very high | 116 Ų | 116 | 55 Ų | 55 | 75% | 0.753 | 26% | 0.26 | S | S | * | . | trans | -75.1 | -15.2 | -175.8 | 29.4 | -35 | 0 | 0 | 0 | 113.7 | K266 | P264-K266 PolarHBondContact O-N 3.27Š| ||
| 265 | R | 96.7 | Very high | 97.3 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | trans | -81.8 | 118.3 | -168.9 | -57 | 165.5 | -73.9 | -175 | -9.4 | 110.4 | P226 D263 A267 V268 K269 | P226-R265 PolarHBondContact O-NH1 2.85Å; D263-R265 VanDerWaalsContact C-N 3.29Å; D263-R265 PolarHBondContact O-N 3.2Å; D263-R265 WeakPolarHBondContact OD1-CA 3.28Å; D263-R265 WeakPolarHBondContact OD1-CB 3.44Å; D263-R265 WeakPolarHBondContact OD1-CG 3.5Å; D263-R265 IonicContact OD1-CZ 3.42Å; D263-R265 PolarHBondContact OD1-N 2.87Å; D263-R265 IonicContact OD1-NE 3.88Å; D263-R265 PolarHBondContact OD1-NE 3.49Å; D263-R265 IonicContact OD1-NH2 2.66Å; D263-R265 IonicContact OD2-CZ 3.75Å; D263-R265 VanDerWaalsContact OD2-CZ 3.23Å; D263-R265 IonicContact OD2-NE 3.12Å; D263-R265 PolarHBondContact OD2-NE 3.34Å; D263-R265 IonicContact OD2-NH2 2.94Å; D263-R265 PolarHBondContact OD2-NH2 3.05Å; R265-A267 PolarHBondContact O-N 3.38Å; R265-A267 VanDerWaalsContact O-N 3.12Å; R265-V268 HydrophobicContact CB-CB 4.35Å; R265-V268 HydrophobicContact CB-CG2 4.04Å; R265-V268 PolarHBondContact O-N 2.82Å; R265-V268 VanDerWaalsContact O-N 3.1Å; R265-K269 PolarHBondContact O-N 2.91Å; R265-K269 VanDerWaalsContact O-N 3.1Å | ||
| 266 | K | 95.8 | Very high | 97.4 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.2 | -32.5 | 179.5 | -170.9 | 174.7 | -176.7 | 176.1 | 0 | 113.9 | P264 R270 S306 L307 | P264-K266 PolarHBondContact O-N 3.27Å; K266-R270 WeakPolarHBondContact O-CB 3.34Å; K266-R270 WeakPolarHBondContact O-CG 3.49Å; K266-R270 PolarHBondContact O-N 2.84Å; K266-R270 VanDerWaalsContact O-N 3.07Å; K266-S306 VanDerWaalsContact CE-OG 3.25Å; K266-S306 WeakPolarHBondContact CE-OG 3.43Å; K266-S306 PolarHBondContact NZ-OG 2.8Å; K266-L307 HydrophobicContact CG-CD1 4.46Å; K266-L307 HydrophobicContact CG-CD2 4.39Å |
| 267 | A | 97.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.1 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T228 I232 R265 R270 L271 | T228-A267 HydrophobicContact CG2-CB 3.87Å; I232-A267 HydrophobicContact CD1-CB 3.89Å; R265-A267 PolarHBondContact O-N 3.38Å; R265-A267 VanDerWaalsContact O-N 3.12Å; A267-R270 PolarHBondContact O-N 2.82Å; A267-L271 PolarHBondContact O-N 3.43Å |
| 268 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | T228 V231 I232 L235 Y259 D263 R265 R270 L271 A272 | T228-V268 HydrophobicContact CG2-CG2 4.39Å; V231-V268 HydrophobicContact CG1-CG1 3.98Å; V231-V268 HydrophobicContact CG1-CG2 4.02Å; I232-V268 HydrophobicContact CG1-CG2 4.39Å; L235-V268 HydrophobicContact CD1-CG1 4.08Å; Y259-V268 HydrophobicContact CD1-CG1 3.92Å; Y259-V268 HydrophobicContact CG-CG1 4.46Å; D263-V268 HydrophobicContact CB-CG1 4.38Å; R265-V268 HydrophobicContact CB-CB 4.35Å; R265-V268 HydrophobicContact CB-CG2 4.04Å; R265-V268 PolarHBondContact O-N 2.82Å; R265-V268 VanDerWaalsContact O-N 3.1Å; V268-R270 VanDerWaalsContact C-N 3.3Å; V268-R270 PolarHBondContact O-N 2.77Å; V268-L271 PolarHBondContact O-N 3.21Å; V268-L271 VanDerWaalsContact O-N 3.16Å; V268-A272 PolarHBondContact O-N 2.79Å |
| 269 | K | 98 | Very high | 97.4 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -40.4 | 174.4 | -66.3 | -167.2 | -173.7 | -61.1 | 0 | 112.5 | L260 K261 D263 R265 A272 I273 L307 | L260-K269 HydrophobicContact CD1-CB 3.94Å; L260-K269 HydrophobicContact CD1-CD 4.45Å; L260-K269 HydrophobicContact CD1-CG 4.24Å; L260-K269 PolarHBondContact O-NZ 2.97Å; K261-K269 PolarHBondContact O-NZ 2.85Å; D263-K269 WeakPolarHBondContact O-CE 3.32Å; D263-K269 PolarHBondContact O-NZ 3.14Å; R265-K269 PolarHBondContact O-N 2.91Å; R265-K269 VanDerWaalsContact O-N 3.1Å; K269-A272 PolarHBondContact O-N 2.89Å; K269-I273 WeakPolarHBondContact O-CD1 3.27Å; K269-I273 VanDerWaalsContact O-CG1 3.28Å; K269-I273 WeakPolarHBondContact O-CG1 3.42Å; K269-I273 PolarHBondContact O-N 2.99Å; K269-L307 HydrophobicContact CB-CD1 4.24Å; K269-L307 HydrophobicContact CB-CD2 4.01Å; K269-L307 HydrophobicContact CD-CD1 3.81Å |
| 270 | R | 97.7 | Very high | 97.3 | Very high | 133 Ų | 133 | 48 Ų | 48 | 50% | 0.502 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 176 | -80.4 | -173.3 | -64.6 | 162 | 1.5 | 112.4 | K266 A267 V268 I273 Q274 L307 | K266-R270 WeakPolarHBondContact O-CB 3.34Å; K266-R270 WeakPolarHBondContact O-CG 3.49Å; K266-R270 PolarHBondContact O-N 2.84Å; K266-R270 VanDerWaalsContact O-N 3.07Å; A267-R270 PolarHBondContact O-N 2.82Å; V268-R270 VanDerWaalsContact C-N 3.3Å; V268-R270 PolarHBondContact O-N 2.77Å; R270-I273 PolarHBondContact O-N 3.26Å; R270-Q274 WeakPolarHBondContact O-CG 3.44Å; R270-Q274 PolarHBondContact O-N 3.09Å; R270-Q274 VanDerWaalsContact O-N 3.09Å; R270-L307 HydrophobicContact CG-CD2 3.68Å |
| 271 | L | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 174 | 173.8 | 71.8 | 0 | 0 | 0 | 110.7 | I232 L235 H236 A267 V268 I273 Q274 D275 | I232-L271 VanDerWaalsContact CA-CD2 3.45Å; I232-L271 HydrophobicContact CB-CD2 3.99Å; I232-L271 HydrophobicContact CG1-CB 4.45Å; I232-L271 HydrophobicContact CG1-CD2 4.09Å; I232-L271 HydrophobicContact CG2-CD2 3.94Å; I232-L271 WeakPolarHBondContact O-CD2 3.5Å; L235-L271 HydrophobicContact CB-CD2 3.86Å; H236-L271 HydrophobicContact CB-CD1 4.04Å; H236-L271 HydrophobicContact CB-CD2 4.36Å; A267-L271 PolarHBondContact O-N 3.43Å; V268-L271 PolarHBondContact O-N 3.21Å; V268-L271 VanDerWaalsContact O-N 3.16Å; L271-I273 PolarHBondContact O-N 2.95Å; L271-Q274 WeakPolarHBondContact O-CA 3.48Å; L271-Q274 WeakPolarHBondContact O-CB 3.43Å; L271-Q274 PolarHBondContact O-N 2.79Å; L271-D275 PolarHBondContact O-N 3.25Å |
| 272 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.2 | -42.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L256 L260 V268 K269 Q274 D275 L276 | L256-A272 HydrophobicContact CD2-CB 4.37Å; L260-A272 HydrophobicContact CB-CB 4.4Å; V268-A272 PolarHBondContact O-N 2.79Å; K269-A272 PolarHBondContact O-N 2.89Å; A272-Q274 PolarHBondContact O-N 2.82Å; A272-D275 PolarHBondContact O-N 3.26Å; A272-L276 WeakPolarHBondContact O-CB 3.33Å; A272-L276 WeakPolarHBondContact O-CG 3.26Å; A272-L276 PolarHBondContact O-N 2.99Å |
| 273 | I | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 173.2 | -69.6 | 165.3 | 0 | 0 | 0 | 112.4 | L260 K269 R270 L271 L276 K277 L307 G310 M311 V314 | L260-I273 HydrophobicContact CD1-CD1 4.07Å; L260-I273 HydrophobicContact CD1-CG1 3.86Å; L260-I273 HydrophobicContact CD2-CG1 4.34Å; K269-I273 WeakPolarHBondContact O-CD1 3.27Å; K269-I273 VanDerWaalsContact O-CG1 3.28Å; K269-I273 WeakPolarHBondContact O-CG1 3.42Å; K269-I273 PolarHBondContact O-N 2.99Å; R270-I273 PolarHBondContact O-N 3.26Å; L271-I273 PolarHBondContact O-N 2.95Å; I273-L276 PolarHBondContact O-N 2.93Å; I273-K277 WeakPolarHBondContact O-CB 3.3Å; I273-K277 PolarHBondContact O-N 2.85Å; I273-L307 HydrophobicContact CD1-CB 4.35Å; I273-L307 HydrophobicContact CD1-CD2 3.91Å; I273-G310 VanDerWaalsContact CG2-O 3.31Å; I273-G310 WeakPolarHBondContact CG2-O 3.32Å; I273-M311 HydrophobicContact CD1-CG 3.78Å; I273-M311 HydrophobicContact CG1-CG 3.86Å; I273-V314 HydrophobicContact CG2-CG2 4.1Å; I273-V314 WeakPolarHBondContact O-CG2 3.41Å |
| 274 | Q | 98.3 | Very high | 96.9 | Very high | 125 Ų | 125 | 48.3 Ų | 48.3 | 58% | 0.584 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.2 | -43.4 | 178.6 | -72.6 | 172.5 | -7.9 | 0 | 0 | 111.5 | R270 L271 A272 K277 L278 | R270-Q274 WeakPolarHBondContact O-CG 3.44Å; R270-Q274 PolarHBondContact O-N 3.09Å; R270-Q274 VanDerWaalsContact O-N 3.09Å; L271-Q274 WeakPolarHBondContact O-CA 3.48Å; L271-Q274 WeakPolarHBondContact O-CB 3.43Å; L271-Q274 PolarHBondContact O-N 2.79Å; A272-Q274 PolarHBondContact O-N 2.82Å; Q274-K277 WeakPolarHBondContact O-CB 3.37Å; Q274-K277 PolarHBondContact O-N 2.93Å; Q274-L278 PolarHBondContact O-N 3.12Å |
| 275 | D | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 178.2 | -82.8 | 1.4 | 0 | 0 | 0 | 111.7 | H236 T239 L256 L271 A272 K277 L278 L279 | H236-D275 WeakPolarHBondContact CA-OD2 3.35Å; H236-D275 IonicContact CE1-OD1 2.94Å; H236-D275 IonicContact ND1-OD1 3.83Å; H236-D275 PolarHBondContact ND1-OD1 2.89Å; H236-D275 IonicContact ND1-OD2 2.72Å; T239-D275 VanDerWaalsContact CB-OD2 3.3Å; T239-D275 WeakPolarHBondContact CB-OD2 3.37Å; T239-D275 HydrophobicContact CG2-CB 3.75Å; T239-D275 VanDerWaalsContact OG1-CG 3.31Å; T239-D275 PolarHBondContact OG1-OD2 2.94Å; L256-D275 HydrophobicContact CD1-CB 3.78Å; L256-D275 HydrophobicContact CD2-CB 4.08Å; L271-D275 PolarHBondContact O-N 3.25Å; A272-D275 PolarHBondContact O-N 3.26Å; D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 PolarHBondContact O-N 2.91Å; D275-L278 WeakPolarHBondContact O-CB 3.22Å; D275-L278 PolarHBondContact O-N 3.3Å; D275-L278 VanDerWaalsContact O-N 3.17Å; D275-L279 WeakPolarHBondContact O-CG 3.41Å; D275-L279 PolarHBondContact O-N 2.88Å |
| 276 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 170.9 | -71.6 | 171.7 | 0 | 0 | 0 | 111.2 | L253 L256 L257 L260 A272 I273 L279 A280 W287 L295 V314 | L253-L276 HydrophobicContact CD2-CD2 3.7Å; L256-L276 HydrophobicContact CB-CD2 3.81Å; L256-L276 HydrophobicContact CB-CG 4.04Å; L256-L276 HydrophobicContact CD1-CD2 3.98Å; L256-L276 HydrophobicContact CD1-CG 4.21Å; L257-L276 HydrophobicContact CD2-CD1 3.99Å; L257-L276 HydrophobicContact CG-CD2 4.38Å; L260-L276 HydrophobicContact CD2-CD1 3.98Å; A272-L276 WeakPolarHBondContact O-CB 3.33Å; A272-L276 WeakPolarHBondContact O-CG 3.26Å; A272-L276 PolarHBondContact O-N 2.99Å; I273-L276 PolarHBondContact O-N 2.93Å; L276-L279 PolarHBondContact O-N 3.08Å; L276-A280 VanDerWaalsContact O-CB 3.31Å; L276-A280 WeakPolarHBondContact O-CB 3.29Å; L276-A280 PolarHBondContact O-N 3.46Å; L276-W287 HydrophobicContact CB-CH2 4.17Å; L276-W287 HydrophobicContact CB-CZ2 4.36Å; L276-W287 HydrophobicContact CD2-CH2 3.75Å; L276-W287 HydrophobicContact CD2-CZ2 4.09Å; L276-W287 HydrophobicContact CG-CH2 4.42Å; L276-L295 HydrophobicContact CD1-CD1 4.31Å; L276-V314 HydrophobicContact CB-CG1 4.17Å; L276-V314 HydrophobicContact CB-CG2 4.17Å |
| 277 | K | 98.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 175.1 | -168.7 | 171.6 | 178.7 | 173.2 | 0 | 111.9 | I273 Q274 D275 K281 S313 V314 | I273-K277 WeakPolarHBondContact O-CB 3.3Å; I273-K277 PolarHBondContact O-N 2.85Å; Q274-K277 WeakPolarHBondContact O-CB 3.37Å; Q274-K277 PolarHBondContact O-N 2.93Å; D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 PolarHBondContact O-N 2.91Å; K277-K281 WeakPolarHBondContact O-CG 3.39Å; K277-K281 PolarHBondContact O-N 2.83Å; K277-S313 WeakPolarHBondContact CE-OG 3.29Å; K277-S313 PolarHBondContact NZ-OG 3.46Å; K277-V314 HydrophobicContact CB-CG2 3.89Å |
| 278 | L | 97.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.5 | 178.7 | 147.1 | 0 | 0 | 0 | 110.8 | T239 A243 Q274 D275 K281 K282 | T239-L278 HydrophobicContact CG2-CD2 4.08Å; A243-L278 HydrophobicContact CB-CD2 3.99Å; Q274-L278 PolarHBondContact O-N 3.12Å; D275-L278 WeakPolarHBondContact O-CB 3.22Å; D275-L278 PolarHBondContact O-N 3.3Å; D275-L278 VanDerWaalsContact O-N 3.17Å; L278-K281 PolarHBondContact O-N 2.84Å; L278-K282 PolarHBondContact O-N 2.86Å |
| 279 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 177.8 | -67.4 | 178.7 | 0 | 0 | 0 | 112.5 | T239 A243 I249 Q252 L253 L256 D275 L276 K281 K282 A283 | T239-L279 HydrophobicContact CG2-CD1 4.2Å; T239-L279 HydrophobicContact CG2-CD2 4.13Å; T239-L279 HydrophobicContact CG2-CG 3.99Å; A243-L279 HydrophobicContact CB-CD2 4.12Å; I249-L279 HydrophobicContact CG2-CD2 4.44Å; Q252-L279 HydrophobicContact CG-CD1 4.13Å; L253-L279 HydrophobicContact CD2-CB 4.09Å; L253-L279 HydrophobicContact CD2-CD1 3.62Å; L253-L279 HydrophobicContact CG-CD1 4.24Å; L256-L279 HydrophobicContact CD1-CD1 3.85Å; D275-L279 WeakPolarHBondContact O-CG 3.41Å; D275-L279 PolarHBondContact O-N 2.88Å; L276-L279 PolarHBondContact O-N 3.08Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 2.91Å; L279-K282 PolarHBondContact O-N 3.06Å; L279-A283 CarbonylContact O-C 3.6Å; L279-A283 PolarHBondContact O-N 2.8Å |
| 280 | A | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -32.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L276 P284 W287 V314 T317 L318 | L276-A280 VanDerWaalsContact O-CB 3.31Å; L276-A280 WeakPolarHBondContact O-CB 3.29Å; L276-A280 PolarHBondContact O-N 3.46Å; A280-P284 WeakPolarHBondContact O-CB 3.26Å; A280-P284 WeakPolarHBondContact O-CD 3.43Å; A280-W287 HydrophobicContact CB-CZ2 4.19Å; A280-V314 HydrophobicContact CB-CG1 4.28Å; A280-T317 HydrophobicContact CB-CG2 4.09Å; A280-L318 HydrophobicContact CB-CD2 3.6Å; A280-L318 HydrophobicContact CB-CG 3.83Å |
| 281 | K | 95.4 | Very high | 95.3 | Very high | 146 Ų | 146 | 45 Ų | 45 | 64% | 0.635 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -77.6 | -40.9 | 174 | -71 | -178 | 176.2 | -170.3 | 0 | 112.9 | K277 L278 L279 T317 | K277-K281 WeakPolarHBondContact O-CG 3.39Å; K277-K281 PolarHBondContact O-N 2.83Å; L278-K281 PolarHBondContact O-N 2.84Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 2.91Å; K281-T317 HydrophobicContact CG-CG2 3.81Å |
| 282 | K | 93.4 | Very high | 95 | Very high | 106 Ų | 106 | 45 Ų | 45 | 46% | 0.461 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.7 | -40.2 | -172.2 | -161.2 | 177.9 | -168.9 | 175.4 | 0 | 113.2 | A243 L278 L279 | A243-K282 HydrophobicContact CB-CD 3.77Å; A243-K282 WeakPolarHBondContact O-CD 3.37Å; A243-K282 WeakPolarHBondContact O-CE 3.32Å; A243-K282 PolarHBondContact O-NZ 2.85Å; L278-K282 PolarHBondContact O-N 2.86Å; L279-K282 PolarHBondContact O-N 3.06Å |
| 283 | A | 93.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | trans | -142.3 | 61.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I249 L279 H285 L286 | I249-A283 HydrophobicContact CD1-CB 3.95Å; L279-A283 CarbonylContact O-C 3.6Å; L279-A283 PolarHBondContact O-N 2.8Å; A283-H285 PolarHBondContact O-N 3.16Å; A283-L286 HydrophobicContact CB-CD1 3.88Å; A283-L286 HydrophobicContact CB-CG 4.2Å; A283-L286 PolarHBondContact O-N 2.96Å | ||
| 284 | P | 94.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.5 | -30.9 | 179.8 | 21.4 | -31.3 | 0 | 0 | 0 | 113 | A280 L286 W287 L318 T321 | A280-P284 WeakPolarHBondContact O-CB 3.26Å; A280-P284 WeakPolarHBondContact O-CD 3.43Å; P284-L286 PolarHBondContact O-N 3.37Å; P284-W287 PolarHBondContact O-N 2.95Å; P284-L318 HydrophobicContact CB-CD2 4.46Å; P284-T321 HydrophobicContact CB-CG2 3.93Å; P284-T321 WeakPolarHBondContact CB-OG1 3.2Å; P284-T321 HydrophobicContact CG-CG2 4.11Å |
| 285 | H | 92.4 | Very high | 94.3 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 46% | 0.458 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -69.1 | -11.5 | -177.7 | 62.6 | -88.9 | 0 | 0 | 0 | 114.8 | A283 I322 | A283-H285 PolarHBondContact O-N 3.16Å; H285-I322 HydrophobicContact CB-CD1 3.41Å; H285-I322 VanDerWaalsContact CB-CD1 3.41Å; H285-I322 HydrophobicContact CB-CG1 4.13Å |
| 286 | L | 93.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 31% | 0.314 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -95.3 | -1 | 178.6 | -61.5 | -179.5 | 0 | 0 | 0 | 113.2 | I249 A283 P284 | I249-L286 HydrophobicContact CB-CD1 3.86Å; I249-L286 HydrophobicContact CD1-CD1 3.71Å; I249-L286 HydrophobicContact CG1-CD1 4.32Å; I249-L286 HydrophobicContact CG2-CB 4.32Å; I249-L286 HydrophobicContact CG2-CD1 3.96Å; A283-L286 HydrophobicContact CB-CD1 3.88Å; A283-L286 HydrophobicContact CB-CG 4.2Å; A283-L286 PolarHBondContact O-N 2.96Å; P284-L286 PolarHBondContact O-N 3.37Å |
| 287 | W | 93.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | trans | -78.2 | 129.6 | 175.4 | -76.2 | 69.4 | 0 | 0 | 0 | 110.4 | L253 L276 A280 P284 N291 L295 V314 L318 | L253-W287 HydrophobicContact CD1-CD2 4.11Å; L253-W287 HydrophobicContact CD1-CG 4.14Å; L253-W287 HydrophobicContact CD2-CD2 4.27Å; L253-W287 HydrophobicContact CD2-CH2 4.03Å; L253-W287 HydrophobicContact CD2-CZ2 3.46Å; L253-W287 VanDerWaalsContact CD2-CZ2 3.46Å; L276-W287 HydrophobicContact CB-CH2 4.17Å; L276-W287 HydrophobicContact CB-CZ2 4.36Å; L276-W287 HydrophobicContact CD2-CH2 3.75Å; L276-W287 HydrophobicContact CD2-CZ2 4.09Å; L276-W287 HydrophobicContact CG-CH2 4.42Å; A280-W287 HydrophobicContact CB-CZ2 4.19Å; P284-W287 PolarHBondContact O-N 2.95Å; W287-N291 HydrophobicContact CE3-CB 3.95Å; W287-N291 HydrophobicContact CZ3-CB 4.34Å; W287-L295 HydrophobicContact CH2-CD2 4.38Å; W287-L295 HydrophobicContact CZ3-CD2 4.24Å; W287-V314 HydrophobicContact CH2-CG1 3.84Å; W287-V314 HydrophobicContact CZ2-CG1 4.23Å; W287-L318 HydrophobicContact CB-CD2 4.38Å; W287-L318 HydrophobicContact CD2-CD1 3.7Å; W287-L318 HydrophobicContact CD2-CD2 3.73Å; W287-L318 HydrophobicContact CD2-CG 4.37Å; W287-L318 HydrophobicContact CE3-CD1 3.49Å; W287-L318 VanDerWaalsContact CE3-CD1 3.49Å; W287-L318 HydrophobicContact CE3-CD2 4.39Å; W287-L318 HydrophobicContact CG-CD1 4.41Å; W287-L318 HydrophobicContact CG-CD2 3.7Å; W287-L318 HydrophobicContact CH2-CD1 3.86Å; W287-L318 HydrophobicContact CZ2-CD1 4.08Å; W287-L318 HydrophobicContact CZ2-CD2 4.41Å; W287-L318 HydrophobicContact CZ3-CD1 3.58Å | ||
| 288 | N | 90.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 21% | 0.206 | S | C | . | . | trans | -100.2 | 173.6 | 174.4 | 73.4 | 18.8 | 0 | 0 | 0 | 111.7 | E290 N291 T292 | N288-E290 VanDerWaalsContact C-N 3.34Å; N288-E290 PolarHBondContact O-N 2.85Å; N288-E290 PolarHBondContact OD1-N 3.18Å; N288-N291 PolarHBondContact O-N 3.38Å; N288-N291 WeakPolarHBondContact OD1-CB 3.38Å; N288-N291 PolarHBondContact OD1-N 3.01Å; N288-N291 PolarHBondContact OD1-ND2 2.91Å; N288-N291 PolarHBondContact OD1-OD1 3.07Å; N288-N291 VanDerWaalsContact OD1-OD1 3.07Å; N288-T292 PolarHBondContact O-N 2.67Å; N288-T292 PolarHBondContact O-OG1 2.83Å | ||
| 289 | R | 88.4 | Confident | 93.5 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 18% | 0.181 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 179.3 | -179.7 | -179.1 | -82.1 | -176.3 | -9.4 | 112.2 | N291 T292 Q293 Y327 F328 S336 | R289-N291 PolarHBondContact O-N 3.49Å; R289-T292 PolarHBondContact O-N 2.72Å; R289-Q293 HydrophobicContact CG-CG 4.41Å; R289-Q293 WeakPolarHBondContact O-CG 3.4Å; R289-Q293 PolarHBondContact O-N 3.5Å; R289-Y327 HydrophobicContact CB-CD2 4.34Å; R289-Y327 HydrophobicContact CG-CD2 3.96Å; R289-Y327 HydrophobicContact CG-CE2 3.84Å; R289-Y327 VanDerWaalsContact CZ-O 3.26Å; R289-Y327 PolarHBondContact NE-O 2.86Å; R289-Y327 PolarHBondContact NH2-O 3.21Å; R289-F328 PolarHBondContact NH2-O 2.89Å; R289-S336 PolarHBondContact NH1-OG 3.22Å |
| 290 | E | 90.9 | Very high | 93.3 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 53% | 0.528 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -41 | -178 | -174.7 | -175.6 | -173.3 | 0 | 0 | 112.4 | N288 T292 Q293 T294 | N288-E290 VanDerWaalsContact C-N 3.34Å; N288-E290 PolarHBondContact O-N 2.85Å; N288-E290 PolarHBondContact OD1-N 3.18Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 3.42Å; E290-Q293 PolarHBondContact O-N 2.96Å; E290-T294 WeakPolarHBondContact O-CB 3.37Å; E290-T294 PolarHBondContact O-N 2.9Å; E290-T294 PolarHBondContact O-OG1 3.06Å |
| 291 | N | 94.3 | Very high | 93 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.5 | -63 | 153 | 0 | 0 | 0 | 111 | L257 W287 N288 R289 T294 L295 | L257-N291 HydrophobicContact CD1-CB 3.74Å; W287-N291 HydrophobicContact CE3-CB 3.95Å; W287-N291 HydrophobicContact CZ3-CB 4.34Å; N288-N291 PolarHBondContact O-N 3.38Å; N288-N291 WeakPolarHBondContact OD1-CB 3.38Å; N288-N291 PolarHBondContact OD1-N 3.01Å; N288-N291 PolarHBondContact OD1-ND2 2.91Å; N288-N291 PolarHBondContact OD1-OD1 3.07Å; N288-N291 VanDerWaalsContact OD1-OD1 3.07Å; R289-N291 PolarHBondContact O-N 3.49Å; N291-T294 PolarHBondContact O-N 3.09Å; N291-L295 PolarHBondContact O-N 2.91Å; N291-L295 VanDerWaalsContact O-N 3.08Å |
| 292 | T | 92.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | N288 R289 E290 L295 C296 L315 Y327 | N288-T292 PolarHBondContact O-N 2.67Å; N288-T292 PolarHBondContact O-OG1 2.83Å; R289-T292 PolarHBondContact O-N 2.72Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 3.42Å; T292-L295 PolarHBondContact O-N 3.06Å; T292-C296 PolarHBondContact O-N 3.35Å; T292-C296 PolarHBondContact O-SG 2.94Å; T292-L315 HydrophobicContact CG2-CD2 3.95Å; T292-Y327 HydrophobicContact CG2-CD2 3.77Å; T292-Y327 HydrophobicContact CG2-CE2 3.7Å |
| 293 | Q | 91.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 175.7 | -77 | 172.4 | -33.1 | 0 | 0 | 112 | R289 E290 L295 C296 E297 Y327 | R289-Q293 HydrophobicContact CG-CG 4.41Å; R289-Q293 WeakPolarHBondContact O-CG 3.4Å; R289-Q293 PolarHBondContact O-N 3.5Å; E290-Q293 PolarHBondContact O-N 2.96Å; Q293-L295 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 2.98Å; Q293-C296 WeakPolarHBondContact O-CA 3.32Å; Q293-C296 WeakPolarHBondContact O-CB 3.43Å; Q293-C296 PolarHBondContact O-N 3.11Å; Q293-E297 WeakPolarHBondContact O-CG 3.49Å; Q293-E297 PolarHBondContact O-N 2.73Å; Q293-Y327 HydrophobicContact CG-CE2 4.11Å |
| 294 | T | 93.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.5 | L257 E290 N291 E297 C298 | L257-T294 HydrophobicContact CB-CG2 4.03Å; L257-T294 HydrophobicContact CD1-CG2 4.49Å; L257-T294 HydrophobicContact CD2-CG2 4.37Å; E290-T294 WeakPolarHBondContact O-CB 3.37Å; E290-T294 PolarHBondContact O-N 2.9Å; E290-T294 PolarHBondContact O-OG1 3.06Å; N291-T294 PolarHBondContact O-N 3.09Å; T294-E297 PolarHBondContact O-N 2.9Å; T294-C298 PolarHBondContact O-N 2.63Å; T294-C298 PolarHBondContact O-SG 3.01Å |
| 295 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.4 | -175.3 | 59.6 | 0 | 0 | 0 | 111.9 | L257 L260 L276 W287 N291 T292 Q293 C298 A299 M311 V314 L315 | L257-L295 HydrophobicContact CD2-CB 3.96Å; L257-L295 HydrophobicContact CD2-CD1 4.29Å; L260-L295 HydrophobicContact CD2-CD1 3.58Å; L276-L295 HydrophobicContact CD1-CD1 4.31Å; W287-L295 HydrophobicContact CH2-CD2 4.38Å; W287-L295 HydrophobicContact CZ3-CD2 4.24Å; N291-L295 PolarHBondContact O-N 2.91Å; N291-L295 VanDerWaalsContact O-N 3.08Å; T292-L295 PolarHBondContact O-N 3.06Å; Q293-L295 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 2.98Å; L295-C298 PolarHBondContact O-N 3.48Å; L295-A299 PolarHBondContact O-N 2.86Å; L295-M311 HydrophobicContact CD1-CB 3.93Å; L295-M311 HydrophobicContact CD1-CG 3.74Å; L295-M311 HydrophobicContact CD1-SD 4.13Å; L295-V314 HydrophobicContact CD2-CB 4.05Å; L295-V314 HydrophobicContact CD2-CG1 3.74Å; L295-L315 HydrophobicContact CD2-CD2 3.75Å; L295-L315 HydrophobicContact CD2-CG 3.84Å; L295-L315 HydrophobicContact CG-CD2 4.28Å; L295-L315 HydrophobicContact CG-CG 4.3Å |
| 296 | C | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 175.4 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | T292 Q293 C298 A299 L300 D343 L347 | T292-C296 PolarHBondContact O-N 3.35Å; T292-C296 PolarHBondContact O-SG 2.94Å; Q293-C296 WeakPolarHBondContact O-CA 3.32Å; Q293-C296 WeakPolarHBondContact O-CB 3.43Å; Q293-C296 PolarHBondContact O-N 3.11Å; C296-C298 VanDerWaalsContact C-N 3.31Å; C296-C298 PolarHBondContact O-N 3.22Å; C296-A299 PolarHBondContact O-N 3.49Å; C296-A299 VanDerWaalsContact O-N 3.12Å; C296-L300 WeakPolarHBondContact O-CG 3.42Å; C296-L300 PolarHBondContact O-N 3.33Å; C296-D343 HydrophobicContact CB-CB 4.47Å; C296-L347 HydrophobicContact CB-CD2 4.01Å |
| 297 | E | 92.6 | Very high | 92.7 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.2 | -70.2 | 174.1 | -168.7 | 0 | 0 | 111.8 | K261 Q293 T294 A299 L300 S301 | K261-E297 IonicContact NZ-OE2 3.39Å; K261-E297 PolarHBondContact NZ-OE2 2.97Å; Q293-E297 WeakPolarHBondContact O-CG 3.49Å; Q293-E297 PolarHBondContact O-N 2.73Å; T294-E297 PolarHBondContact O-N 2.9Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 2.9Å; E297-L300 PolarHBondContact O-N 2.93Å; E297-S301 WeakPolarHBondContact O-CB 3.2Å; E297-S301 PolarHBondContact O-N 3.49Å; E297-S301 PolarHBondContact O-OG 3.31Å |
| 298 | C | 94.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | L260 T294 L295 C296 S301 S302 M311 | L260-C298 HydrophobicContact CD2-CB 4.34Å; L260-C298 HydrophobicContact CG-CB 4.28Å; T294-C298 PolarHBondContact O-N 2.63Å; T294-C298 PolarHBondContact O-SG 3.01Å; L295-C298 PolarHBondContact O-N 3.48Å; C296-C298 VanDerWaalsContact C-N 3.31Å; C296-C298 PolarHBondContact O-N 3.22Å; C298-S301 PolarHBondContact O-OG 3.45Å; C298-S302 WeakPolarHBondContact O-CB 3.49Å; C298-S302 PolarHBondContact O-N 3.06Å; C298-M311 HydrophobicContact CB-SD 3.76Å |
| 299 | A | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.7 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L295 C296 E297 S301 S302 K308 M311 L347 | L295-A299 PolarHBondContact O-N 2.86Å; C296-A299 PolarHBondContact O-N 3.49Å; C296-A299 VanDerWaalsContact O-N 3.12Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 2.9Å; A299-S301 VanDerWaalsContact C-N 3.34Å; A299-S301 PolarHBondContact O-N 3.43Å; A299-S302 PolarHBondContact O-N 2.94Å; A299-K308 VanDerWaalsContact O-CE 3.22Å; A299-K308 WeakPolarHBondContact O-CE 3.4Å; A299-M311 HydrophobicContact CB-CB 4.16Å; A299-M311 HydrophobicContact CB-CE 4.15Å; A299-M311 HydrophobicContact CB-SD 4.08Å; A299-L347 HydrophobicContact CB-CD1 3.94Å; A299-L347 HydrophobicContact CB-CD2 3.72Å |
| 300 | L | 91.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 176.9 | -75.4 | 170.8 | 0 | 0 | 0 | 111.9 | C296 E297 S302 L347 | C296-L300 WeakPolarHBondContact O-CG 3.42Å; C296-L300 PolarHBondContact O-N 3.33Å; E297-L300 PolarHBondContact O-N 2.93Å; L300-S302 VanDerWaalsContact C-N 3.33Å; L300-S302 PolarHBondContact O-N 3.18Å; L300-L347 HydrophobicContact CD2-CB 3.96Å; L300-L347 HydrophobicContact CD2-CD1 3.66Å; L300-L347 HydrophobicContact CD2-CG 4.41Å; L300-L347 HydrophobicContact CG-CB 4.13Å; L300-L347 HydrophobicContact CG-CD1 3.86Å; L300-L347 HydrophobicContact CG-CG 4.48Å |
| 301 | S | 91 | Very high | 93.8 | Very high | 92 Ų | 92 | 37.8 Ų | 37.8 | 64% | 0.643 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -79.7 | -11 | -179.6 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | E297 C298 A299 P303 | E297-S301 WeakPolarHBondContact O-CB 3.2Å; E297-S301 PolarHBondContact O-N 3.49Å; E297-S301 PolarHBondContact O-OG 3.31Å; C298-S301 PolarHBondContact O-OG 3.45Å; A299-S301 VanDerWaalsContact C-N 3.34Å; A299-S301 PolarHBondContact O-N 3.43Å; S301-P303 WeakPolarHBondContact O-CD 3.47Å |
| 302 | S | 92.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | trans | -80.8 | 122.2 | -174.6 | -163.4 | 0 | 0 | 0 | 0 | 112.5 | C298 A299 L300 Y304 | C298-S302 WeakPolarHBondContact O-CB 3.49Å; C298-S302 PolarHBondContact O-N 3.06Å; A299-S302 PolarHBondContact O-N 2.94Å; L300-S302 VanDerWaalsContact C-N 3.33Å; L300-S302 PolarHBondContact O-N 3.18Å; S302-Y304 PolarHBondContact O-N 3.4Å | ||
| 303 | P | 89.8 | Confident | 94.1 | Very high | 105 Ų | 105 | 37.7 Ų | 37.7 | 68% | 0.682 | 21% | 0.212 | S | C | * | . | trans | -79.8 | -6.1 | 174.7 | 33.5 | -35.7 | 0 | 0 | 0 | 112.9 | S301 | S301-P303 WeakPolarHBondContact O-CD 3.47Š| ||
| 304 | Y | 92.9 | Very high | 94.4 | Very high | 129 Ų | 129 | 34.9 Ų | 34.9 | 51% | 0.506 | 20% | 0.199 | S | C | . | . | trans | -102.6 | 113 | -172.4 | -60.3 | -73.6 | 0 | 0 | 0 | 112.2 | S302 S306 L307 K308 | S302-Y304 PolarHBondContact O-N 3.4Å; Y304-S306 PolarHBondContact O-N 3.33Å; Y304-S306 VanDerWaalsContact O-N 3.1Å; Y304-L307 HydrophobicContact CD2-CD1 3.97Å; Y304-L307 HydrophobicContact CG-CD1 4.41Å; Y304-L307 PolarHBondContact O-N 3.45Å; Y304-K308 PolarHBondContact O-N 2.65Å | ||
| 305 | N | 92.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 33.8 Ų | 33.8 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -51.5 | -38.5 | 177.5 | -66.8 | -10.7 | 0 | 0 | 0 | 113.4 | L307 L309 H354 | N305-L307 VanDerWaalsContact C-N 3.35Å; N305-L307 PolarHBondContact O-N 3.41Å; N305-L309 WeakPolarHBondContact O-CB 3.48Å; N305-L309 PolarHBondContact O-N 3.37Å; N305-H354 PolarHBondContact OD1-CE1 3.44Å; N305-H354 PolarHBondContact OD1-NE2 2.89Å |
| 306 | S | 94.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 40% | 0.399 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.3 | -34.5 | 179.3 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | K266 Y304 G310 | K266-S306 VanDerWaalsContact CE-OG 3.25Å; K266-S306 WeakPolarHBondContact CE-OG 3.43Å; K266-S306 PolarHBondContact NZ-OG 2.8Å; Y304-S306 PolarHBondContact O-N 3.33Å; Y304-S306 VanDerWaalsContact O-N 3.1Å; S306-G310 PolarHBondContact O-N 2.73Å |
| 307 | L | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -80.1 | -43.5 | 178.4 | -65.7 | -179.7 | 0 | 0 | 0 | 110.2 | K266 K269 R270 I273 Y304 N305 L309 G310 M311 | K266-L307 HydrophobicContact CG-CD1 4.46Å; K266-L307 HydrophobicContact CG-CD2 4.39Å; K269-L307 HydrophobicContact CB-CD1 4.24Å; K269-L307 HydrophobicContact CB-CD2 4.01Å; K269-L307 HydrophobicContact CD-CD1 3.81Å; R270-L307 HydrophobicContact CG-CD2 3.68Å; I273-L307 HydrophobicContact CD1-CB 4.35Å; I273-L307 HydrophobicContact CD1-CD2 3.91Å; Y304-L307 HydrophobicContact CD2-CD1 3.97Å; Y304-L307 HydrophobicContact CG-CD1 4.41Å; Y304-L307 PolarHBondContact O-N 3.45Å; N305-L307 VanDerWaalsContact C-N 3.35Å; N305-L307 PolarHBondContact O-N 3.41Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-L309 PolarHBondContact O-N 3.01Å; L307-G310 PolarHBondContact O-N 3.46Å; L307-G310 VanDerWaalsContact O-N 3.11Å; L307-M311 HydrophobicContact CB-CE 4.09Å; L307-M311 WeakPolarHBondContact O-CE 3.39Å; L307-M311 WeakPolarHBondContact O-CG 3.48Å; L307-M311 PolarHBondContact O-N 3.01Å |
| 308 | K | 95.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.7 | -47.8 | 173 | -170.7 | 176.2 | -75.4 | -166.9 | 0 | 111.2 | A299 Y304 G310 M311 L312 E350 V359 | A299-K308 VanDerWaalsContact O-CE 3.22Å; A299-K308 WeakPolarHBondContact O-CE 3.4Å; Y304-K308 PolarHBondContact O-N 2.65Å; K308-G310 VanDerWaalsContact C-N 3.35Å; K308-G310 PolarHBondContact O-N 3.33Å; K308-M311 PolarHBondContact O-N 3.42Å; K308-L312 HydrophobicContact CG-CD1 4.19Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 WeakPolarHBondContact O-CG 3.07Å; K308-L312 PolarHBondContact O-N 2.83Å; K308-E350 IonicContact NZ-OE1 2.74Å; K308-E350 PolarHBondContact NZ-OE1 3.49Å; K308-V359 HydrophobicContact CD-CG1 4.38Å |
| 309 | L | 95.8 | Very high | 94.9 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -46 | 174 | 177.7 | 62.2 | 0 | 0 | 0 | 112.6 | N305 L307 L312 S313 A358 V359 | N305-L309 WeakPolarHBondContact O-CB 3.48Å; N305-L309 PolarHBondContact O-N 3.37Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-L309 PolarHBondContact O-N 3.01Å; L309-L312 PolarHBondContact O-N 3.14Å; L309-S313 WeakPolarHBondContact O-CB 3.27Å; L309-S313 PolarHBondContact O-N 2.66Å; L309-A358 HydrophobicContact CD1-CB 3.67Å; L309-A358 WeakPolarHBondContact CD1-O 3.35Å; L309-A358 HydrophobicContact CD2-CB 4.14Å; L309-V359 HydrophobicContact CB-CG2 3.96Å; L309-V359 HydrophobicContact CD1-CG2 4.2Å |
| 310 | G | 96.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | I273 S306 L307 K308 S313 V314 | I273-G310 VanDerWaalsContact CG2-O 3.31Å; I273-G310 WeakPolarHBondContact CG2-O 3.32Å; S306-G310 PolarHBondContact O-N 2.73Å; L307-G310 PolarHBondContact O-N 3.46Å; L307-G310 VanDerWaalsContact O-N 3.11Å; K308-G310 VanDerWaalsContact C-N 3.35Å; K308-G310 PolarHBondContact O-N 3.33Å; G310-S313 WeakPolarHBondContact O-CB 3.41Å; G310-S313 PolarHBondContact O-N 2.92Å; G310-V314 PolarHBondContact O-N 2.85Å |
| 311 | M | 97.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.2 | -68.4 | -178.9 | -83.9 | 0 | 0 | 112 | L260 I273 L295 C298 A299 L307 K308 S313 V314 L315 | L260-M311 HydrophobicContact CD1-SD 4.24Å; L260-M311 HydrophobicContact CD2-CG 4.06Å; L260-M311 HydrophobicContact CD2-SD 3.82Å; L260-M311 HydrophobicContact CG-SD 4.24Å; I273-M311 HydrophobicContact CD1-CG 3.78Å; I273-M311 HydrophobicContact CG1-CG 3.86Å; L295-M311 HydrophobicContact CD1-CB 3.93Å; L295-M311 HydrophobicContact CD1-CG 3.74Å; L295-M311 HydrophobicContact CD1-SD 4.13Å; C298-M311 HydrophobicContact CB-SD 3.76Å; A299-M311 HydrophobicContact CB-CB 4.16Å; A299-M311 HydrophobicContact CB-CE 4.15Å; A299-M311 HydrophobicContact CB-SD 4.08Å; L307-M311 HydrophobicContact CB-CE 4.09Å; L307-M311 WeakPolarHBondContact O-CE 3.39Å; L307-M311 WeakPolarHBondContact O-CG 3.48Å; L307-M311 PolarHBondContact O-N 3.01Å; K308-M311 PolarHBondContact O-N 3.42Å; M311-S313 VanDerWaalsContact C-N 3.27Å; M311-S313 PolarHBondContact O-N 2.79Å; M311-V314 WeakPolarHBondContact O-CB 3.29Å; M311-V314 PolarHBondContact O-N 2.59Å; M311-V314 VanDerWaalsContact O-N 3.1Å; M311-L315 PolarHBondContact O-N 2.95Å |
| 312 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -32.9 | 174 | -73.1 | 169.5 | 0 | 0 | 0 | 112.5 | K308 L309 V314 L315 S316 L347 C351 V359 H362 | K308-L312 HydrophobicContact CG-CD1 4.19Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 WeakPolarHBondContact O-CG 3.07Å; K308-L312 PolarHBondContact O-N 2.83Å; L309-L312 PolarHBondContact O-N 3.14Å; L312-V314 VanDerWaalsContact C-N 3.3Å; L312-V314 PolarHBondContact O-N 2.82Å; L312-L315 HydrophobicContact CD2-CD1 4.25Å; L312-L315 PolarHBondContact O-N 2.96Å; L312-S316 WeakPolarHBondContact O-CB 3.41Å; L312-S316 PolarHBondContact O-N 2.77Å; L312-L347 HydrophobicContact CD2-CD2 4.32Å; L312-L347 HydrophobicContact CD2-CG 4.41Å; L312-C351 HydrophobicContact CD1-CB 3.93Å; L312-C351 HydrophobicContact CD2-CB 4.4Å; L312-V359 HydrophobicContact CD1-CB 4.35Å; L312-V359 HydrophobicContact CD1-CG1 3.54Å; L312-H362 HydrophobicContact CB-CB 3.8Å |
| 313 | S | 96.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | K277 L309 G310 M311 T317 | K277-S313 WeakPolarHBondContact CE-OG 3.29Å; K277-S313 PolarHBondContact NZ-OG 3.46Å; L309-S313 WeakPolarHBondContact O-CB 3.27Å; L309-S313 PolarHBondContact O-N 2.66Å; G310-S313 WeakPolarHBondContact O-CB 3.41Å; G310-S313 PolarHBondContact O-N 2.92Å; M311-S313 VanDerWaalsContact C-N 3.27Å; M311-S313 PolarHBondContact O-N 2.79Å; S313-T317 PolarHBondContact O-N 3.24Å; S313-T317 PolarHBondContact O-OG1 2.91Å |
| 314 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -50.4 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | I273 L276 K277 A280 W287 L295 G310 M311 L312 S316 T317 L318 | I273-V314 HydrophobicContact CG2-CG2 4.1Å; I273-V314 WeakPolarHBondContact O-CG2 3.41Å; L276-V314 HydrophobicContact CB-CG1 4.17Å; L276-V314 HydrophobicContact CB-CG2 4.17Å; K277-V314 HydrophobicContact CB-CG2 3.89Å; A280-V314 HydrophobicContact CB-CG1 4.28Å; W287-V314 HydrophobicContact CH2-CG1 3.84Å; W287-V314 HydrophobicContact CZ2-CG1 4.23Å; L295-V314 HydrophobicContact CD2-CB 4.05Å; L295-V314 HydrophobicContact CD2-CG1 3.74Å; G310-V314 PolarHBondContact O-N 2.85Å; M311-V314 WeakPolarHBondContact O-CB 3.29Å; M311-V314 PolarHBondContact O-N 2.59Å; M311-V314 VanDerWaalsContact O-N 3.1Å; L312-V314 VanDerWaalsContact C-N 3.3Å; L312-V314 PolarHBondContact O-N 2.82Å; V314-S316 VanDerWaalsContact C-N 3.31Å; V314-S316 PolarHBondContact O-N 3.19Å; V314-T317 WeakPolarHBondContact O-CA 3.09Å; V314-T317 WeakPolarHBondContact O-CB 3.44Å; V314-T317 PolarHBondContact O-N 3.4Å; V314-L318 HydrophobicContact CG1-CD1 4.07Å; V314-L318 PolarHBondContact O-N 3.22Å |
| 315 | L | 97.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 178.8 | -69.8 | 171.2 | 0 | 0 | 0 | 112.5 | T292 L295 M311 L312 T317 L318 S319 L344 L347 V366 | T292-L315 HydrophobicContact CG2-CD2 3.95Å; L295-L315 HydrophobicContact CD2-CD2 3.75Å; L295-L315 HydrophobicContact CD2-CG 3.84Å; L295-L315 HydrophobicContact CG-CD2 4.28Å; L295-L315 HydrophobicContact CG-CG 4.3Å; M311-L315 PolarHBondContact O-N 2.95Å; L312-L315 HydrophobicContact CD2-CD1 4.25Å; L312-L315 PolarHBondContact O-N 2.96Å; L315-T317 VanDerWaalsContact C-N 3.29Å; L315-T317 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 3.06Å; L315-S319 VanDerWaalsContact O-CB 3.3Å; L315-S319 WeakPolarHBondContact O-CB 3.36Å; L315-S319 PolarHBondContact O-N 3.34Å; L315-S319 PolarHBondContact O-OG 3.1Å; L315-L344 HydrophobicContact CD1-CD1 4.19Å; L315-L344 HydrophobicContact CD2-CD1 4.14Å; L315-L347 HydrophobicContact CD1-CD2 3.78Å; L315-V366 HydrophobicContact CB-CG2 4.19Å |
| 316 | S | 96.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -32.8 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | L312 V314 S319 H362 V366 | L312-S316 WeakPolarHBondContact O-CB 3.41Å; L312-S316 PolarHBondContact O-N 2.77Å; V314-S316 VanDerWaalsContact C-N 3.31Å; V314-S316 PolarHBondContact O-N 3.19Å; S316-S319 PolarHBondContact O-OG 2.82Å; S316-H362 VanDerWaalsContact CB-ND1 3.32Å; S316-H362 WeakPolarHBondContact CB-ND1 3.5Å; S316-H362 PolarHBondContact OG-ND1 2.8Å; S316-V366 VanDerWaalsContact CA-CG2 3.47Å |
| 317 | T | 96.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -45.1 | 173.5 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | A280 K281 S313 V314 L315 T321 | A280-T317 HydrophobicContact CB-CG2 4.09Å; K281-T317 HydrophobicContact CG-CG2 3.81Å; S313-T317 PolarHBondContact O-N 3.24Å; S313-T317 PolarHBondContact O-OG1 2.91Å; V314-T317 WeakPolarHBondContact O-CA 3.09Å; V314-T317 WeakPolarHBondContact O-CB 3.44Å; V314-T317 PolarHBondContact O-N 3.4Å; L315-T317 VanDerWaalsContact C-N 3.29Å; L315-T317 PolarHBondContact O-N 2.87Å; T317-T321 WeakPolarHBondContact O-CG2 3.3Å |
| 318 | L | 95.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 179.2 | -69.4 | 169.4 | 0 | 0 | 0 | 112.4 | A280 P284 W287 V314 L315 G320 T321 A323 | A280-L318 HydrophobicContact CB-CD2 3.6Å; A280-L318 HydrophobicContact CB-CG 3.83Å; P284-L318 HydrophobicContact CB-CD2 4.46Å; W287-L318 HydrophobicContact CB-CD2 4.38Å; W287-L318 HydrophobicContact CD2-CD1 3.7Å; W287-L318 HydrophobicContact CD2-CD2 3.73Å; W287-L318 HydrophobicContact CD2-CG 4.37Å; W287-L318 HydrophobicContact CE3-CD1 3.49Å; W287-L318 VanDerWaalsContact CE3-CD1 3.49Å; W287-L318 HydrophobicContact CE3-CD2 4.39Å; W287-L318 HydrophobicContact CG-CD1 4.41Å; W287-L318 HydrophobicContact CG-CD2 3.7Å; W287-L318 HydrophobicContact CH2-CD1 3.86Å; W287-L318 HydrophobicContact CZ2-CD1 4.08Å; W287-L318 HydrophobicContact CZ2-CD2 4.41Å; W287-L318 HydrophobicContact CZ3-CD1 3.58Å; V314-L318 HydrophobicContact CG1-CD1 4.07Å; V314-L318 PolarHBondContact O-N 3.22Å; L315-L318 PolarHBondContact O-N 3.06Å; L318-G320 PolarHBondContact O-N 3.16Å; L318-T321 PolarHBondContact O-N 3.12Å; L318-T321 PolarHBondContact O-OG1 2.91Å; L318-A323 HydrophobicContact CB-CB 4.34Å; L318-A323 HydrophobicContact CD2-CB 4.13Å |
| 319 | S | 94.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -26.5 | -175.7 | 68 | 0 | 0 | 0 | 0 | 113.1 | L315 S316 T321 I324 N369 | L315-S319 VanDerWaalsContact O-CB 3.3Å; L315-S319 WeakPolarHBondContact O-CB 3.36Å; L315-S319 PolarHBondContact O-N 3.34Å; L315-S319 PolarHBondContact O-OG 3.1Å; S316-S319 PolarHBondContact O-OG 2.82Å; S319-T321 PolarHBondContact O-N 3.1Å; S319-I324 WeakPolarHBondContact O-CG2 3.13Å; S319-N369 PolarHBondContact OG-ND2 3.31Å |
| 320 | G | 92.2 | Very high | 90.3 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 56% | 0.557 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 7.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L318 N369 | L318-G320 PolarHBondContact O-N 3.16Å; G320-N369 PolarHBondContact N-ND2 3.31Å |
| 321 | T | 93.8 | Very high | 88.4 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -126 | -179.1 | -175.1 | 72.8 | 0 | 0 | 0 | 0 | 111.7 | P284 T317 L318 S319 A323 I324 | P284-T321 HydrophobicContact CB-CG2 3.93Å; P284-T321 WeakPolarHBondContact CB-OG1 3.2Å; P284-T321 HydrophobicContact CG-CG2 4.11Å; T317-T321 WeakPolarHBondContact O-CG2 3.3Å; L318-T321 PolarHBondContact O-N 3.12Å; L318-T321 PolarHBondContact O-OG1 2.91Å; S319-T321 PolarHBondContact O-N 3.1Å; T321-A323 PolarHBondContact O-N 2.84Å; T321-A323 VanDerWaalsContact O-N 3.08Å; T321-A323 WeakPolarHBondContact OG1-CB 3.44Å; T321-A323 PolarHBondContact OG1-N 3.23Å; T321-I324 WeakPolarHBondContact O-CG2 3.39Å; T321-I324 PolarHBondContact O-N 3.37Å |
| 322 | I | 89.3 | Confident | 86.1 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 46% | 0.456 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.8 | -18.7 | 175.2 | 65.4 | 168.5 | 0 | 0 | 0 | 114 | H285 I324 K325 Q326 | H285-I322 HydrophobicContact CB-CD1 3.41Å; H285-I322 VanDerWaalsContact CB-CD1 3.41Å; H285-I322 HydrophobicContact CB-CG1 4.13Å; I322-I324 PolarHBondContact O-N 2.99Å; I322-K325 PolarHBondContact O-N 3.4Å; I322-K325 VanDerWaalsContact O-N 3.11Å; I322-Q326 PolarHBondContact O-N 3.48Å |
| 323 | A | 90.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -35.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L318 T321 Q326 Y327 | L318-A323 HydrophobicContact CB-CB 4.34Å; L318-A323 HydrophobicContact CD2-CB 4.13Å; T321-A323 PolarHBondContact O-N 2.84Å; T321-A323 VanDerWaalsContact O-N 3.08Å; T321-A323 WeakPolarHBondContact OG1-CB 3.44Å; T321-A323 PolarHBondContact OG1-N 3.23Å; A323-Q326 PolarHBondContact O-N 3.17Å; A323-Y327 WeakPolarHBondContact O-CB 3.49Å; A323-Y327 PolarHBondContact O-N 3.41Å |
| 324 | I | 89.3 | Confident | 81.4 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 178.2 | -158 | 58.1 | 0 | 0 | 0 | 112.1 | S319 T321 I322 Y327 F328 L344 I370 S373 | S319-I324 WeakPolarHBondContact O-CG2 3.13Å; T321-I324 WeakPolarHBondContact O-CG2 3.39Å; T321-I324 PolarHBondContact O-N 3.37Å; I322-I324 PolarHBondContact O-N 2.99Å; I324-Y327 WeakPolarHBondContact O-CB 3.46Å; I324-Y327 PolarHBondContact O-N 3.32Å; I324-F328 HydrophobicContact CD1-CD2 4.4Å; I324-F328 HydrophobicContact CD1-CE2 3.81Å; I324-F328 HydrophobicContact CG1-CD2 4.28Å; I324-F328 HydrophobicContact CG1-CE2 3.99Å; I324-F328 VanDerWaalsContact O-CD2 3.28Å; I324-F328 WeakPolarHBondContact O-CD2 3.49Å; I324-F328 PolarHBondContact O-N 3.24Å; I324-L344 HydrophobicContact CD1-CD2 3.79Å; I324-I370 HydrophobicContact CD1-CG1 3.94Å; I324-I370 HydrophobicContact CG1-CG1 4.19Å; I324-S373 WeakPolarHBondContact CG2-OG 3.41Å |
| 325 | K | 85 | Confident | 78.9 | Confident | 126 Ų | 126 | 55.7 Ų | 55.7 | 55% | 0.548 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 177.5 | -63.6 | -176.3 | 179 | -177.6 | 0 | 110.3 | I322 Y327 F328 N329 | I322-K325 PolarHBondContact O-N 3.4Å; I322-K325 VanDerWaalsContact O-N 3.11Å; K325-Y327 VanDerWaalsContact C-N 3.3Å; K325-Y327 PolarHBondContact O-N 2.89Å; K325-F328 PolarHBondContact O-N 2.83Å; K325-N329 PolarHBondContact O-N 2.69Å |
| 326 | Q | 84.7 | Confident | 76.5 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 174.4 | -69.8 | 175.9 | -23.6 | 0 | 0 | 112.4 | I322 A323 N329 | I322-Q326 PolarHBondContact O-N 3.48Å; A323-Q326 PolarHBondContact O-N 3.17Å; Q326-N329 CarbonylContact O-C 3.53Å |
| 327 | Y | 85.5 | Confident | 74 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.3 | -176.9 | -97.4 | 0 | 0 | 0 | 112.2 | R289 T292 Q293 A323 I324 K325 T342 L344 | R289-Y327 HydrophobicContact CB-CD2 4.34Å; R289-Y327 HydrophobicContact CG-CD2 3.96Å; R289-Y327 HydrophobicContact CG-CE2 3.84Å; R289-Y327 VanDerWaalsContact CZ-O 3.26Å; R289-Y327 PolarHBondContact NE-O 2.86Å; R289-Y327 PolarHBondContact NH2-O 3.21Å; T292-Y327 HydrophobicContact CG2-CD2 3.77Å; T292-Y327 HydrophobicContact CG2-CE2 3.7Å; Q293-Y327 HydrophobicContact CG-CE2 4.11Å; A323-Y327 WeakPolarHBondContact O-CB 3.49Å; A323-Y327 PolarHBondContact O-N 3.41Å; I324-Y327 WeakPolarHBondContact O-CB 3.46Å; I324-Y327 PolarHBondContact O-N 3.32Å; K325-Y327 VanDerWaalsContact C-N 3.3Å; K325-Y327 PolarHBondContact O-N 2.89Å; Y327-T342 HydrophobicContact CE1-CG2 3.77Å; Y327-T342 WeakPolarHBondContact OH-CB 3.41Å; Y327-L344 HydrophobicContact CD1-CD2 4.07Å; Y327-L344 HydrophobicContact CE1-CB 4.05Å; Y327-L344 HydrophobicContact CE1-CD2 3.87Å |
| 328 | F | 79.7 | Confident | 71.5 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 18% | 0.175 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -83.4 | -37.4 | 179.8 | -70.6 | -72.7 | 0 | 0 | 0 | 113.3 | R289 I324 K325 P330 T342 V345 I370 | R289-F328 PolarHBondContact NH2-O 2.89Å; I324-F328 HydrophobicContact CD1-CD2 4.4Å; I324-F328 HydrophobicContact CD1-CE2 3.81Å; I324-F328 HydrophobicContact CG1-CD2 4.28Å; I324-F328 HydrophobicContact CG1-CE2 3.99Å; I324-F328 VanDerWaalsContact O-CD2 3.28Å; I324-F328 WeakPolarHBondContact O-CD2 3.49Å; I324-F328 PolarHBondContact O-N 3.24Å; K325-F328 PolarHBondContact O-N 2.83Å; F328-P330 VanDerWaalsContact C-CD 3.48Å; F328-P330 VanDerWaalsContact O-CD 3.22Å; F328-P330 WeakPolarHBondContact O-CD 3.32Å; F328-T342 HydrophobicContact CE1-CG2 4.24Å; F328-V345 HydrophobicContact CZ-CG2 4.37Å; F328-I370 HydrophobicContact CE2-CB 4.49Å; F328-I370 HydrophobicContact CE2-CG1 4.1Å; F328-I370 HydrophobicContact CE2-CG2 3.78Å; F328-I370 HydrophobicContact CZ-CD1 4.48Å; F328-I370 HydrophobicContact CZ-CG1 4.34Å; F328-I370 HydrophobicContact CZ-CG2 3.7Å |
| 329 | N | 76.4 | Confident | 69.1 | Low | 110 Ų | 110 | 69 Ų | 69 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | trans | -117.4 | 76 | -178.7 | -66.1 | -27.8 | 0 | 0 | 0 | 111.3 | K325 Q326 G331 | K325-N329 PolarHBondContact O-N 2.69Å; Q326-N329 CarbonylContact O-C 3.53Å; N329-G331 PolarHBondContact O-N 3.35Å | ||
| 330 | P | 63.4 | Low | 66.7 | Low | 63 Ų | 63 | 80.5 Ų | 80.5 | 41% | 0.409 | 52% | 0.516 | S | S | . | . | trans | -65.4 | 128.2 | 168.6 | 29.1 | -32.5 | 0 | 0 | 0 | 107.1 | F328 | F328-P330 VanDerWaalsContact C-CD 3.48Å; F328-P330 VanDerWaalsContact O-CD 3.22Å; F328-P330 WeakPolarHBondContact O-CD 3.32Å | ||
| 331 | G | 56.8 | Low | 64.9 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | trans | -48.6 | 156.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N329 G333 | N329-G331 PolarHBondContact O-N 3.35Å; G331-G333 PolarHBondContact O-N 2.92Å | ||
| 332 | T | 50.4 | Low | 63.7 | Low | 167 Ų | 167 | 82.4 Ų | 82.4 | 100% | 1.025 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 13.3 | -166.8 | 44.8 | 0 | 0 | 0 | 0 | 118.6 | ||
| 333 | G | 48.3 | Very low | 63 | Low | 80 Ų | 80 | 81.3 Ų | 81.3 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -3.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | G331 | G331-G333 PolarHBondContact O-N 2.92Š|
| 334 | G | 46.6 | Very low | 62.8 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | trans | -117.2 | 102.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S336 | G334-S336 VanDerWaalsContact C-N 3.31Å; G334-S336 PolarHBondContact O-N 3.37Å | ||
| 335 | A | 44.7 | Very low | 62.7 | Low | 118 Ų | 118 | 80.9 Ų | 80.9 | 98% | 0.975 | 50% | 0.504 | S | S | * | . | trans | -67.4 | 88.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 336 | S | 46.2 | Very low | 62.8 | Low | 73 Ų | 73 | 80.8 Ų | 80.8 | 51% | 0.51 | 50% | 0.504 | S | S | . | . | trans | -123.8 | 125.7 | 164.4 | 75.8 | 0 | 0 | 0 | 0 | 108.5 | R289 G334 | R289-S336 PolarHBondContact NH1-OG 3.22Å; G334-S336 VanDerWaalsContact C-N 3.31Å; G334-S336 PolarHBondContact O-N 3.37Å | ||
| 337 | A | 45.3 | Very low | 63.1 | Low | 83 Ų | 83 | 77.1 Ų | 77.1 | 69% | 0.686 | 49% | 0.487 | S | S | * | . | trans | -42.6 | 148.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P339 | A337-P339 WeakPolarHBondContact O-CD 3.43Å; A337-P339 VanDerWaalsContact O-N 3.13Å | ||
| 338 | P | 42.3 | Very low | 63.4 | Low | 121 Ų | 121 | 77 Ų | 77 | 79% | 0.786 | 49% | 0.486 | S | S | * | . | trans | -63.3 | 115.9 | 177 | 26.5 | -32 | 0 | 0 | 0 | 108.8 | R340 | P338-R340 PolarHBondContact O-N 3.36Š| ||
| 339 | P | 46 | Very low | 63.9 | Low | 67 Ų | 67 | 77.9 Ų | 77.9 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | trans | -72.4 | 127.6 | 179.4 | 27.3 | -29.7 | 0 | 0 | 0 | 109.5 | A337 L341 T342 | A337-P339 WeakPolarHBondContact O-CD 3.43Å; A337-P339 VanDerWaalsContact O-N 3.13Å; P339-L341 PolarHBondContact O-N 3.47Å; P339-T342 HydrophobicContact CB-CG2 4.26Å; P339-T342 HydrophobicContact CG-CG2 3.77Å | ||
| 340 | R | 44.6 | Very low | 64.5 | Low | 245 Ų | 245 | 77.1 Ų | 77.1 | 93% | 0.925 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -53.6 | 122.4 | 158.8 | -66.2 | 174.7 | 175.7 | 176.5 | -2.6 | 107.3 | P338 T342 | P338-R340 PolarHBondContact O-N 3.36Å; R340-T342 PolarHBondContact O-N 3.34Å |
| 341 | L | 53.1 | Low | 65.9 | Low | 125 Ų | 125 | 74.1 Ų | 74.1 | 65% | 0.654 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 21.5 | 88.6 | 174.8 | -73 | 157.4 | 0 | 0 | 0 | 114.1 | P339 V345 | P339-L341 PolarHBondContact O-N 3.47Å; L341-V345 HydrophobicContact CD2-CG1 4.02Å |
| 342 | T | 68.9 | Low | 67.6 | Low | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 43% | 0.433 | C | S | . | . | trans | -43.9 | 140.7 | -176.7 | 54 | 0 | 0 | 0 | 0 | 113.3 | Y327 F328 P339 R340 L344 V345 K346 | Y327-T342 HydrophobicContact CE1-CG2 3.77Å; Y327-T342 WeakPolarHBondContact OH-CB 3.41Å; F328-T342 HydrophobicContact CE1-CG2 4.24Å; P339-T342 HydrophobicContact CB-CG2 4.26Å; P339-T342 HydrophobicContact CG-CG2 3.77Å; R340-T342 PolarHBondContact O-N 3.34Å; T342-L344 CarbonylContact O-C 3.34Å; T342-L344 PolarHBondContact O-N 3.45Å; T342-V345 WeakPolarHBondContact O-CB 3.26Å; T342-V345 PolarHBondContact O-N 3.1Å; T342-K346 PolarHBondContact O-N 3.27Å | ||
| 343 | D | 74.6 | Confident | 69.6 | Low | 65 Ų | 65 | 68.9 Ų | 68.9 | 35% | 0.348 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -48.8 | -26.7 | 178.8 | -68.9 | -49.1 | 0 | 0 | 0 | 114.2 | C296 L347 | C296-D343 HydrophobicContact CB-CB 4.47Å; D343-L347 VanDerWaalsContact O-CB 3.23Å; D343-L347 WeakPolarHBondContact O-CB 2.94Å; D343-L347 PolarHBondContact O-N 2.88Å |
| 344 | L | 87.8 | Confident | 71.7 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.8 | -52 | 170.5 | 178.8 | 60.7 | 0 | 0 | 0 | 112.3 | L315 I324 Y327 T342 L347 V348 V366 I370 | L315-L344 HydrophobicContact CD1-CD1 4.19Å; L315-L344 HydrophobicContact CD2-CD1 4.14Å; I324-L344 HydrophobicContact CD1-CD2 3.79Å; Y327-L344 HydrophobicContact CD1-CD2 4.07Å; Y327-L344 HydrophobicContact CE1-CB 4.05Å; Y327-L344 HydrophobicContact CE1-CD2 3.87Å; T342-L344 CarbonylContact O-C 3.34Å; T342-L344 PolarHBondContact O-N 3.45Å; L344-L347 PolarHBondContact O-N 2.87Å; L344-V348 HydrophobicContact CD1-CG1 4.38Å; L344-V348 VanDerWaalsContact O-CG2 3.28Å; L344-V348 WeakPolarHBondContact O-CG2 3.42Å; L344-V348 PolarHBondContact O-N 3.22Å; L344-V366 HydrophobicContact CD1-CG1 4.19Å; L344-I370 HydrophobicContact CD2-CD1 4.07Å; L344-I370 HydrophobicContact CG-CD1 4.09Å |
| 345 | V | 86.9 | Confident | 73.9 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | F328 L341 T342 L347 V348 Q349 I370 L382 | F328-V345 HydrophobicContact CZ-CG2 4.37Å; L341-V345 HydrophobicContact CD2-CG1 4.02Å; T342-V345 WeakPolarHBondContact O-CB 3.26Å; T342-V345 PolarHBondContact O-N 3.1Å; V345-L347 PolarHBondContact O-N 2.89Å; V345-V348 VanDerWaalsContact O-CG2 3.31Å; V345-V348 WeakPolarHBondContact O-CG2 3.41Å; V345-V348 PolarHBondContact O-N 3.07Å; V345-Q349 HydrophobicContact CG1-CG 4.27Å; V345-Q349 WeakPolarHBondContact O-CB 3.32Å; V345-Q349 WeakPolarHBondContact O-CG 3.28Å; V345-Q349 PolarHBondContact O-N 3.36Å; V345-I370 HydrophobicContact CG2-CD1 4.32Å; V345-L382 HydrophobicContact CG1-CD1 3.81Å |
| 346 | K | 85.9 | Confident | 76.1 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 54% | 0.543 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176.8 | -176.4 | -178.5 | 176.6 | -175.4 | 0 | 112.1 | T342 V348 Q349 E350 | T342-K346 PolarHBondContact O-N 3.27Å; K346-V348 PolarHBondContact O-N 3.45Å; K346-Q349 PolarHBondContact O-N 2.75Å; K346-E350 PolarHBondContact O-N 2.81Å |
| 347 | L | 91.2 | Very high | 78.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.9 | 169.7 | 66.4 | 0 | 0 | 0 | 111.2 | C296 A299 L300 L312 L315 D343 L344 V345 E350 C351 | C296-L347 HydrophobicContact CB-CD2 4.01Å; A299-L347 HydrophobicContact CB-CD1 3.94Å; A299-L347 HydrophobicContact CB-CD2 3.72Å; L300-L347 HydrophobicContact CD2-CB 3.96Å; L300-L347 HydrophobicContact CD2-CD1 3.66Å; L300-L347 HydrophobicContact CD2-CG 4.41Å; L300-L347 HydrophobicContact CG-CB 4.13Å; L300-L347 HydrophobicContact CG-CD1 3.86Å; L300-L347 HydrophobicContact CG-CG 4.48Å; L312-L347 HydrophobicContact CD2-CD2 4.32Å; L312-L347 HydrophobicContact CD2-CG 4.41Å; L315-L347 HydrophobicContact CD1-CD2 3.78Å; D343-L347 VanDerWaalsContact O-CB 3.23Å; D343-L347 WeakPolarHBondContact O-CB 2.94Å; D343-L347 PolarHBondContact O-N 2.88Å; L344-L347 PolarHBondContact O-N 2.87Å; V345-L347 PolarHBondContact O-N 2.89Å; L347-E350 PolarHBondContact O-N 3.15Å; L347-C351 VanDerWaalsContact CD1-SG 3.55Å; L347-C351 WeakPolarHBondContact O-CB 3.18Å; L347-C351 PolarHBondContact O-N 2.66Å; L347-C351 PolarHBondContact O-SG 3.49Å |
| 348 | V | 92 | Very high | 80.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.4 | -30.7 | -176.7 | -64.2 | 0 | 0 | 0 | 0 | 113 | L344 V345 K346 E350 C351 C352 V366 L367 I370 | L344-V348 HydrophobicContact CD1-CG1 4.38Å; L344-V348 VanDerWaalsContact O-CG2 3.28Å; L344-V348 WeakPolarHBondContact O-CG2 3.42Å; L344-V348 PolarHBondContact O-N 3.22Å; V345-V348 VanDerWaalsContact O-CG2 3.31Å; V345-V348 WeakPolarHBondContact O-CG2 3.41Å; V345-V348 PolarHBondContact O-N 3.07Å; K346-V348 PolarHBondContact O-N 3.45Å; V348-E350 VanDerWaalsContact C-N 3.34Å; V348-C351 PolarHBondContact O-N 2.97Å; V348-C352 WeakPolarHBondContact O-CB 3.37Å; V348-C352 PolarHBondContact O-N 3.05Å; V348-C352 PolarHBondContact O-SG 3.25Å; V348-C352 VanDerWaalsContact O-SG 3.36Å; V348-V366 HydrophobicContact CG1-CB 3.8Å; V348-V366 HydrophobicContact CG1-CG1 3.66Å; V348-L367 HydrophobicContact CG2-CB 4.25Å; V348-L367 HydrophobicContact CG2-CD1 3.62Å; V348-I370 HydrophobicContact CG2-CD1 4.25Å |
| 349 | Q | 89.6 | Confident | 83 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -34.2 | 169.7 | -76.8 | 174.2 | -36.8 | 0 | 0 | 112.3 | V345 K346 C352 L367 D385 | V345-Q349 HydrophobicContact CG1-CG 4.27Å; V345-Q349 WeakPolarHBondContact O-CB 3.32Å; V345-Q349 WeakPolarHBondContact O-CG 3.28Å; V345-Q349 PolarHBondContact O-N 3.36Å; K346-Q349 PolarHBondContact O-N 2.75Å; Q349-C352 PolarHBondContact O-SG 2.9Å; Q349-L367 HydrophobicContact CG-CD1 4.43Å; Q349-D385 PolarHBondContact NE2-OD2 3.21Å |
| 350 | E | 90.1 | Very high | 85.4 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 170.5 | -174.5 | -165.2 | 130.1 | 0 | 0 | 110.9 | K308 K346 L347 V348 | K308-E350 IonicContact NZ-OE1 2.74Å; K308-E350 PolarHBondContact NZ-OE1 3.49Å; K346-E350 PolarHBondContact O-N 2.81Å; L347-E350 PolarHBondContact O-N 3.15Å; V348-E350 VanDerWaalsContact C-N 3.34Å |
| 351 | C | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.5 | -29.3 | -172.5 | -67.9 | 0 | 0 | 0 | 0 | 113.4 | L312 L347 V348 Y353 H354 V359 A360 | L312-C351 HydrophobicContact CD1-CB 3.93Å; L312-C351 HydrophobicContact CD2-CB 4.4Å; L347-C351 VanDerWaalsContact CD1-SG 3.55Å; L347-C351 WeakPolarHBondContact O-CB 3.18Å; L347-C351 PolarHBondContact O-N 2.66Å; L347-C351 PolarHBondContact O-SG 3.49Å; V348-C351 PolarHBondContact O-N 2.97Å; C351-Y353 PolarHBondContact O-N 3.32Å; C351-H354 WeakPolarHBondContact O-CB 3.48Å; C351-H354 PolarHBondContact O-N 3.08Å; C351-H354 VanDerWaalsContact O-N 3.08Å; C351-V359 HydrophobicContact CB-CG1 4.1Å; C351-A360 WeakPolarHBondContact O-CA 3.46Å |
| 352 | C | 91.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.8 | -178.2 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | V348 Q349 A360 V364 | V348-C352 WeakPolarHBondContact O-CB 3.37Å; V348-C352 PolarHBondContact O-N 3.05Å; V348-C352 PolarHBondContact O-SG 3.25Å; V348-C352 VanDerWaalsContact O-SG 3.36Å; Q349-C352 PolarHBondContact O-SG 2.9Å; C352-A360 WeakPolarHBondContact O-CB 3.44Å; C352-V364 HydrophobicContact CB-CG2 3.43Å; C352-V364 VanDerWaalsContact CB-CG2 3.43Å |
| 353 | Y | 92.5 | Very high | 91 | Very high | 120 Ų | 120 | 38 Ų | 38 | 47% | 0.471 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 17.4 | 175.7 | -57.6 | -70.5 | 0 | 0 | 0 | 113.3 | C351 M388 | C351-Y353 PolarHBondContact O-N 3.32Å; Y353-M388 WeakPolarHBondContact OH-CB 3.15Å |
| 354 | H | 93.8 | Very high | 92 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | trans | -71.2 | 143.1 | -176.4 | -169.1 | -88 | 0 | 0 | 0 | 112.3 | N305 C351 N356 V359 | N305-H354 PolarHBondContact OD1-CE1 3.44Å; N305-H354 PolarHBondContact OD1-NE2 2.89Å; C351-H354 WeakPolarHBondContact O-CB 3.48Å; C351-H354 PolarHBondContact O-N 3.08Å; C351-H354 VanDerWaalsContact O-N 3.08Å; H354-N356 WeakPolarHBondContact ND1-CB 3.28Å; H354-N356 PolarHBondContact ND1-N 2.75Å; H354-N356 PolarHBondContact O-N 2.9Å; H354-N356 VanDerWaalsContact O-N 3.14Å; H354-V359 HydrophobicContact CB-CB 4.15Å; H354-V359 HydrophobicContact CB-CG1 3.65Å | ||
| 355 | S | 91.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 35.4 Ų | 35.4 | 78% | 0.783 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -61.1 | -26.1 | -178.4 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 356 | N | 92 | Very high | 92.8 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -84.1 | 110.7 | 170.3 | -171.6 | -43 | 0 | 0 | 0 | 110.7 | H354 A358 V359 A360 | H354-N356 WeakPolarHBondContact ND1-CB 3.28Å; H354-N356 PolarHBondContact ND1-N 2.75Å; H354-N356 PolarHBondContact O-N 2.9Å; H354-N356 VanDerWaalsContact O-N 3.14Å; N356-A358 PolarHBondContact O-N 3.34Å; N356-A358 VanDerWaalsContact O-N 3.13Å; N356-A358 PolarHBondContact OD1-N 2.88Å; N356-V359 HydrophobicContact CB-CB 4.23Å; N356-V359 HydrophobicContact CB-CG2 3.95Å; N356-V359 WeakPolarHBondContact O-CB 3.26Å; N356-V359 PolarHBondContact O-N 3.1Å; N356-A360 PolarHBondContact O-N 3.12Å; N356-A360 VanDerWaalsContact O-N 3.12Å |
| 357 | L | 92.4 | Very high | 93.1 | Very high | 42 Ų | 42 | 29.4 Ų | 29.4 | 22% | 0.22 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.5 | -34.1 | -177.4 | -61.3 | 178.5 | 0 | 0 | 0 | 114 | A360 A361 L393 L396 T408 | L357-A360 PolarHBondContact O-N 3.08Å; L357-A361 WeakPolarHBondContact O-CB 3.32Å; L357-A361 PolarHBondContact O-N 2.6Å; L357-L393 HydrophobicContact CD2-CD2 4.26Å; L357-L396 HydrophobicContact CD2-CB 3.95Å; L357-L396 HydrophobicContact CD2-CD1 3.88Å; L357-T408 HydrophobicContact CB-CG2 4.28Å |
| 358 | A | 92.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 26% | 0.264 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.4 | -32.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L309 N356 H362 | L309-A358 HydrophobicContact CD1-CB 3.67Å; L309-A358 WeakPolarHBondContact CD1-O 3.35Å; L309-A358 HydrophobicContact CD2-CB 4.14Å; N356-A358 PolarHBondContact O-N 3.34Å; N356-A358 VanDerWaalsContact O-N 3.13Å; N356-A358 PolarHBondContact OD1-N 2.88Å; A358-H362 PolarHBondContact O-CD2 3.46Å; A358-H362 PolarHBondContact O-N 3.17Å |
| 359 | V | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -47.3 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 109.1 | K308 L309 L312 C351 H354 N356 A361 H362 G363 | K308-V359 HydrophobicContact CD-CG1 4.38Å; L309-V359 HydrophobicContact CB-CG2 3.96Å; L309-V359 HydrophobicContact CD1-CG2 4.2Å; L312-V359 HydrophobicContact CD1-CB 4.35Å; L312-V359 HydrophobicContact CD1-CG1 3.54Å; C351-V359 HydrophobicContact CB-CG1 4.1Å; H354-V359 HydrophobicContact CB-CB 4.15Å; H354-V359 HydrophobicContact CB-CG1 3.65Å; N356-V359 HydrophobicContact CB-CB 4.23Å; N356-V359 HydrophobicContact CB-CG2 3.95Å; N356-V359 WeakPolarHBondContact O-CB 3.26Å; N356-V359 PolarHBondContact O-N 3.1Å; V359-A361 PolarHBondContact O-N 2.93Å; V359-H362 PolarHBondContact O-N 3.25Å; V359-G363 PolarHBondContact O-N 3.32Å |
| 360 | A | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C351 C352 N356 L357 H362 G363 V364 L393 | C351-A360 WeakPolarHBondContact O-CA 3.46Å; C352-A360 WeakPolarHBondContact O-CB 3.44Å; N356-A360 PolarHBondContact O-N 3.12Å; N356-A360 VanDerWaalsContact O-N 3.12Å; L357-A360 PolarHBondContact O-N 3.08Å; A360-H362 PolarHBondContact O-N 3.09Å; A360-G363 PolarHBondContact O-N 3.07Å; A360-G363 VanDerWaalsContact O-N 3.15Å; A360-V364 WeakPolarHBondContact O-CG2 3.39Å; A360-V364 PolarHBondContact O-N 2.98Å; A360-L393 HydrophobicContact CB-CD1 4.32Å; A360-L393 HydrophobicContact CB-CD2 3.52Å; A360-L393 HydrophobicContact CB-CG 4.15Å |
| 361 | A | 94.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.6 | -50.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L357 V359 T365 T408 | L357-A361 WeakPolarHBondContact O-CB 3.32Å; L357-A361 PolarHBondContact O-N 2.6Å; V359-A361 PolarHBondContact O-N 2.93Å; A361-T365 WeakPolarHBondContact O-CB 3.23Å; A361-T365 PolarHBondContact O-N 3.38Å; A361-T365 PolarHBondContact O-OG1 3.17Å; A361-T408 HydrophobicContact CB-CG2 3.65Å |
| 362 | H | 95.7 | Very high | 93.1 | Very high | 46 Ų | 46 | 24.7 Ų | 24.7 | 21% | 0.213 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 177.5 | -77.7 | -61.7 | 0 | 0 | 0 | 112.3 | L312 S316 A358 V359 A360 T365 V366 | L312-H362 HydrophobicContact CB-CB 3.8Å; S316-H362 VanDerWaalsContact CB-ND1 3.32Å; S316-H362 WeakPolarHBondContact CB-ND1 3.5Å; S316-H362 PolarHBondContact OG-ND1 2.8Å; A358-H362 PolarHBondContact O-CD2 3.46Å; A358-H362 PolarHBondContact O-N 3.17Å; V359-H362 PolarHBondContact O-N 3.25Å; A360-H362 PolarHBondContact O-N 3.09Å; H362-T365 PolarHBondContact O-N 3.3Å; H362-V366 VanDerWaalsContact O-CG2 3.27Å; H362-V366 WeakPolarHBondContact O-CG2 3.29Å; H362-V366 PolarHBondContact O-N 3.5Å |
| 363 | G | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.5 | -52 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V359 A360 V366 L367 | V359-G363 PolarHBondContact O-N 3.32Å; A360-G363 PolarHBondContact O-N 3.07Å; A360-G363 VanDerWaalsContact O-N 3.15Å; G363-V366 PolarHBondContact O-N 3.36Å; G363-L367 WeakPolarHBondContact O-CB 3.08Å; G363-L367 PolarHBondContact O-N 3.06Å |
| 364 | V | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 178.6 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | C352 A360 V366 L367 A368 L390 L393 | C352-V364 HydrophobicContact CB-CG2 3.43Å; C352-V364 VanDerWaalsContact CB-CG2 3.43Å; A360-V364 WeakPolarHBondContact O-CG2 3.39Å; A360-V364 PolarHBondContact O-N 2.98Å; V364-V366 VanDerWaalsContact C-N 3.34Å; V364-V366 PolarHBondContact O-N 2.84Å; V364-L367 PolarHBondContact O-N 3.15Å; V364-A368 WeakPolarHBondContact O-CB 3.41Å; V364-A368 PolarHBondContact O-N 2.67Å; V364-L390 HydrophobicContact CG1-CB 4.27Å; V364-L390 HydrophobicContact CG1-CD1 4.41Å; V364-L390 HydrophobicContact CG1-CD2 3.23Å; V364-L390 HydrophobicContact CG1-CG 3.34Å; V364-L393 HydrophobicContact CB-CD1 3.86Å; V364-L393 HydrophobicContact CG1-CD1 4.39Å; V364-L393 HydrophobicContact CG2-CD1 3.58Å; V364-L393 HydrophobicContact CG2-CG 4.37Å |
| 365 | T | 95.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 174.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | A361 H362 N369 T411 S415 | A361-T365 WeakPolarHBondContact O-CB 3.23Å; A361-T365 PolarHBondContact O-N 3.38Å; A361-T365 PolarHBondContact O-OG1 3.17Å; H362-T365 PolarHBondContact O-N 3.3Å; T365-N369 WeakPolarHBondContact O-CB 3.38Å; T365-N369 VanDerWaalsContact O-CG 3.26Å; T365-N369 PolarHBondContact O-N 3.47Å; T365-N369 PolarHBondContact O-ND2 2.86Å; T365-T411 WeakPolarHBondContact OG1-CG2 3.33Å; T365-S415 PolarHBondContact OG1-OG 3.27Å |
| 366 | V | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 177 | 177 | 0 | 0 | 0 | 0 | 110.6 | L315 S316 L344 V348 H362 G363 V364 A368 N369 I370 | L315-V366 HydrophobicContact CB-CG2 4.19Å; S316-V366 VanDerWaalsContact CA-CG2 3.47Å; L344-V366 HydrophobicContact CD1-CG1 4.19Å; V348-V366 HydrophobicContact CG1-CB 3.8Å; V348-V366 HydrophobicContact CG1-CG1 3.66Å; H362-V366 VanDerWaalsContact O-CG2 3.27Å; H362-V366 WeakPolarHBondContact O-CG2 3.29Å; H362-V366 PolarHBondContact O-N 3.5Å; G363-V366 PolarHBondContact O-N 3.36Å; V364-V366 VanDerWaalsContact C-N 3.34Å; V364-V366 PolarHBondContact O-N 2.84Å; V366-A368 PolarHBondContact O-N 3.28Å; V366-N369 PolarHBondContact O-N 3.08Å; V366-I370 HydrophobicContact CG1-CD1 3.89Å; V366-I370 HydrophobicContact CG1-CG1 4.36Å; V366-I370 VanDerWaalsContact O-CG1 3.26Å; V366-I370 WeakPolarHBondContact O-CG1 3.38Å; V366-I370 PolarHBondContact O-N 2.91Å |
| 367 | L | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60 | -45 | 178.9 | -165.3 | 66.5 | 0 | 0 | 0 | 111.6 | V348 Q349 G363 V364 I370 A371 L382 T386 | V348-L367 HydrophobicContact CG2-CB 4.25Å; V348-L367 HydrophobicContact CG2-CD1 3.62Å; Q349-L367 HydrophobicContact CG-CD1 4.43Å; G363-L367 WeakPolarHBondContact O-CB 3.08Å; G363-L367 PolarHBondContact O-N 3.06Å; V364-L367 PolarHBondContact O-N 3.15Å; L367-I370 WeakPolarHBondContact O-CB 3.32Å; L367-I370 PolarHBondContact O-N 3.46Å; L367-A371 PolarHBondContact O-N 3.45Å; L367-L382 HydrophobicContact CD1-CD1 3.52Å; L367-L382 HydrophobicContact CD1-CG 4.29Å; L367-T386 HydrophobicContact CG-CG2 4.39Å; L367-T386 WeakPolarHBondContact CG-OG1 3.44Å |
| 368 | A | 93.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V364 V366 I370 A371 I372 T386 | V364-A368 WeakPolarHBondContact O-CB 3.41Å; V364-A368 PolarHBondContact O-N 2.67Å; V366-A368 PolarHBondContact O-N 3.28Å; A368-I370 VanDerWaalsContact C-N 3.28Å; A368-I370 PolarHBondContact O-N 3.29Å; A368-A371 PolarHBondContact O-N 3.28Å; A368-I372 WeakPolarHBondContact O-CD1 3.3Å; A368-I372 WeakPolarHBondContact O-CG1 3.34Å; A368-I372 PolarHBondContact O-N 3.34Å; A368-T386 HydrophobicContact CB-CG2 3.93Å |
| 369 | N | 93.1 | Very high | 84.2 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | 177.5 | -73.6 | -17.3 | 0 | 0 | 0 | 113 | S319 G320 T365 V366 S373 | S319-N369 PolarHBondContact OG-ND2 3.31Å; G320-N369 PolarHBondContact N-ND2 3.31Å; T365-N369 WeakPolarHBondContact O-CB 3.38Å; T365-N369 VanDerWaalsContact O-CG 3.26Å; T365-N369 PolarHBondContact O-N 3.47Å; T365-N369 PolarHBondContact O-ND2 2.86Å; V366-N369 PolarHBondContact O-N 3.08Å; N369-S373 VanDerWaalsContact O-CB 3.27Å; N369-S373 WeakPolarHBondContact O-CB 3.49Å; N369-S373 PolarHBondContact O-N 3.46Å; N369-S373 VanDerWaalsContact O-N 3.12Å; N369-S373 PolarHBondContact O-OG 3.45Å |
| 370 | I | 90.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -50.6 | 172.4 | -65.5 | 166.1 | 0 | 0 | 0 | 109.8 | I324 F328 L344 V345 V348 V366 L367 A368 I372 S373 C374 L382 | I324-I370 HydrophobicContact CD1-CG1 3.94Å; I324-I370 HydrophobicContact CG1-CG1 4.19Å; F328-I370 HydrophobicContact CE2-CB 4.49Å; F328-I370 HydrophobicContact CE2-CG1 4.1Å; F328-I370 HydrophobicContact CE2-CG2 3.78Å; F328-I370 HydrophobicContact CZ-CD1 4.48Å; F328-I370 HydrophobicContact CZ-CG1 4.34Å; F328-I370 HydrophobicContact CZ-CG2 3.7Å; L344-I370 HydrophobicContact CD2-CD1 4.07Å; L344-I370 HydrophobicContact CG-CD1 4.09Å; V345-I370 HydrophobicContact CG2-CD1 4.32Å; V348-I370 HydrophobicContact CG2-CD1 4.25Å; V366-I370 HydrophobicContact CG1-CD1 3.89Å; V366-I370 HydrophobicContact CG1-CG1 4.36Å; V366-I370 VanDerWaalsContact O-CG1 3.26Å; V366-I370 WeakPolarHBondContact O-CG1 3.38Å; V366-I370 PolarHBondContact O-N 2.91Å; L367-I370 WeakPolarHBondContact O-CB 3.32Å; L367-I370 PolarHBondContact O-N 3.46Å; A368-I370 VanDerWaalsContact C-N 3.28Å; A368-I370 PolarHBondContact O-N 3.29Å; I370-I372 VanDerWaalsContact C-N 3.25Å; I370-I372 PolarHBondContact O-N 2.8Å; I370-S373 PolarHBondContact O-N 3.17Å; I370-C374 WeakPolarHBondContact O-CB 3.27Å; I370-C374 PolarHBondContact O-N 2.88Å; I370-C374 PolarHBondContact O-SG 3.04Å; I370-C374 VanDerWaalsContact O-SG 3.38Å; I370-L382 HydrophobicContact CB-CD2 4.42Å; I370-L382 HydrophobicContact CG2-CD2 3.62Å |
| 371 | A | 89.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -36.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L367 A368 L419 R423 | L367-A371 PolarHBondContact O-N 3.45Å; A368-A371 PolarHBondContact O-N 3.28Å; A371-L419 HydrophobicContact CB-CD1 3.9Å; A371-R423 PolarHBondContact O-NE 3.46Å; A371-R423 PolarHBondContact O-NH2 3.49Å; A371-R423 VanDerWaalsContact O-NH2 3.1Å |
| 372 | I | 89.3 | Confident | 82.3 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 20% | 0.195 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -38 | 174.3 | -67.7 | 160.3 | 0 | 0 | 0 | 111.8 | A368 I370 Q418 L419 | A368-I372 WeakPolarHBondContact O-CD1 3.3Å; A368-I372 WeakPolarHBondContact O-CG1 3.34Å; A368-I372 PolarHBondContact O-N 3.34Å; I370-I372 VanDerWaalsContact C-N 3.25Å; I370-I372 PolarHBondContact O-N 2.8Å; I372-Q418 HydrophobicContact CD1-CB 4.21Å; I372-Q418 HydrophobicContact CD1-CG 3.79Å; I372-L419 HydrophobicContact CG1-CD1 4.01Å |
| 373 | S | 84.5 | Confident | 82 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -91.4 | -18.3 | -169.5 | -59.7 | 0 | 0 | 0 | 0 | 114.8 | I324 N369 I370 | I324-S373 WeakPolarHBondContact CG2-OG 3.41Å; N369-S373 VanDerWaalsContact O-CB 3.27Å; N369-S373 WeakPolarHBondContact O-CB 3.49Å; N369-S373 PolarHBondContact O-N 3.46Å; N369-S373 VanDerWaalsContact O-N 3.12Å; N369-S373 PolarHBondContact O-OG 3.45Å; I370-S373 PolarHBondContact O-N 3.17Å |
| 374 | C | 73.6 | Confident | 81.7 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -89.4 | 144.5 | -175.8 | -72.8 | 0 | 0 | 0 | 0 | 113.4 | I370 M379 R423 | I370-C374 WeakPolarHBondContact O-CB 3.27Å; I370-C374 PolarHBondContact O-N 2.88Å; I370-C374 PolarHBondContact O-SG 3.04Å; I370-C374 VanDerWaalsContact O-SG 3.38Å; C374-M379 HydrophobicContact CB-SD 3.68Å; C374-R423 PolarHBondContact O-NH2 3.05Å |
| 375 | P | 65.1 | Low | 81.4 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | trans | -70.6 | 149.9 | 175.2 | 27.6 | -32 | 0 | 0 | 0 | 112.8 | K377 | P375-K377 PolarHBondContact O-N 2.69Å; P375-K377 VanDerWaalsContact O-N 3.17Å | ||
| 376 | E | 57.8 | Low | 81.2 | Confident | 146 Ų | 146 | 56.2 Ų | 56.2 | 68% | 0.682 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -62.5 | -22 | -162.7 | -75.4 | 173.5 | 173.8 | 0 | 0 | 117.5 | D378 R423 | E376-D378 VanDerWaalsContact C-N 3.31Å; E376-D378 PolarHBondContact O-N 3.35Å; E376-D378 VanDerWaalsContact O-N 3.09Å; E376-R423 IonicContact OE1-NH1 3.84Å; E376-R423 PolarHBondContact OE1-NH1 3.15Å; E376-R423 VanDerWaalsContact OE1-NH1 3.09Å |
| 377 | K | 55.8 | Low | 81.1 | Confident | 202 Ų | 202 | 56.4 Ų | 56.4 | 88% | 0.878 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -69.9 | -15 | -157.6 | -74.4 | -173.3 | 175.6 | -178.5 | 0 | 116.7 | P375 | P375-K377 PolarHBondContact O-N 2.69Å; P375-K377 VanDerWaalsContact O-N 3.17Å |
| 378 | D | 53.8 | Low | 81.1 | Confident | 157 Ų | 157 | 60.4 Ų | 60.4 | 84% | 0.84 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -136.1 | 14.4 | -174.4 | -69.1 | -47.4 | 0 | 0 | 0 | 115.4 | E376 | E376-D378 VanDerWaalsContact C-N 3.31Å; E376-D378 PolarHBondContact O-N 3.35Å; E376-D378 VanDerWaalsContact O-N 3.09Å |
| 379 | M | 67.8 | Low | 81.1 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | trans | -126.5 | 14.5 | -161.3 | -66.7 | -144.2 | 162 | 0 | 0 | 118.3 | C374 Q381 L382 E383 | C374-M379 HydrophobicContact CB-SD 3.68Å; M379-Q381 PolarHBondContact O-N 2.89Å; M379-L382 HydrophobicContact CB-CB 4.19Å; M379-L382 HydrophobicContact CE-CD2 4.34Å; M379-L382 WeakPolarHBondContact O-CB 3.43Å; M379-L382 PolarHBondContact O-N 2.96Å; M379-L382 HydrophobicContact SD-CB 4.36Å; M379-L382 HydrophobicContact SD-CD2 3.42Å; M379-L382 WeakPolarHBondContact SD-CD2 3.38Å; M379-E383 PolarHBondContact O-N 3.22Å | ||
| 380 | M | 78.2 | Confident | 81.2 | Confident | 156 Ų | 156 | 59.9 Ų | 59.9 | 77% | 0.768 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -54.2 | -38.2 | 173 | -74.7 | -161 | -69.3 | 0 | 0 | 112.9 | L382 E383 Q384 | M380-L382 VanDerWaalsContact C-N 3.33Å; M380-L382 PolarHBondContact O-N 3.49Å; M380-E383 PolarHBondContact O-N 2.77Å; M380-Q384 PolarHBondContact O-N 2.81Å |
| 381 | Q | 82.2 | Confident | 81.4 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | 176.1 | -174.5 | 62 | 47.6 | 0 | 0 | 112.2 | M379 Q384 D385 | M379-Q381 PolarHBondContact O-N 2.89Å; Q381-Q384 PolarHBondContact O-N 2.91Å; Q381-D385 PolarHBondContact NE2-OD1 2.98Å; Q381-D385 WeakPolarHBondContact O-CB 3.43Å; Q381-D385 PolarHBondContact O-N 3.34Å |
| 382 | L | 85.2 | Confident | 81.6 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 179.5 | -169.7 | 72.5 | 0 | 0 | 0 | 111.2 | V345 L367 I370 M379 M380 Q384 D385 T386 | V345-L382 HydrophobicContact CG1-CD1 3.81Å; L367-L382 HydrophobicContact CD1-CD1 3.52Å; L367-L382 HydrophobicContact CD1-CG 4.29Å; I370-L382 HydrophobicContact CB-CD2 4.42Å; I370-L382 HydrophobicContact CG2-CD2 3.62Å; M379-L382 HydrophobicContact CB-CB 4.19Å; M379-L382 HydrophobicContact CE-CD2 4.34Å; M379-L382 WeakPolarHBondContact O-CB 3.43Å; M379-L382 PolarHBondContact O-N 2.96Å; M379-L382 HydrophobicContact SD-CB 4.36Å; M379-L382 HydrophobicContact SD-CD2 3.42Å; M379-L382 WeakPolarHBondContact SD-CD2 3.38Å; M380-L382 VanDerWaalsContact C-N 3.33Å; M380-L382 PolarHBondContact O-N 3.49Å; L382-Q384 VanDerWaalsContact C-N 3.35Å; L382-D385 PolarHBondContact O-N 3.11Å; L382-T386 WeakPolarHBondContact O-CB 3.15Å; L382-T386 PolarHBondContact O-N 2.96Å; L382-T386 PolarHBondContact O-OG1 2.97Å |
| 383 | E | 89 | Confident | 81.8 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 173.5 | -68.5 | -176.8 | 161.1 | 0 | 0 | 110.7 | M379 M380 T386 V387 R423 H425 L426 | M379-E383 PolarHBondContact O-N 3.22Å; M380-E383 PolarHBondContact O-N 2.77Å; E383-T386 WeakPolarHBondContact O-CB 3.46Å; E383-T386 PolarHBondContact O-N 3.07Å; E383-T386 VanDerWaalsContact O-N 3.16Å; E383-V387 WeakPolarHBondContact O-CG2 3.41Å; E383-V387 PolarHBondContact O-N 3.46Å; E383-R423 VanDerWaalsContact OE1-CD 3.31Å; E383-R423 WeakPolarHBondContact OE1-CD 3.47Å; E383-R423 IonicContact OE1-CZ 2.66Å; E383-R423 IonicContact OE1-NE 2.73Å; E383-R423 PolarHBondContact OE1-NE 2.94Å; E383-R423 VanDerWaalsContact OE1-NE 3.14Å; E383-H425 IonicContact OE1-CE1 3.23Å; E383-H425 IonicContact OE1-NE2 2.76Å; E383-H425 IonicContact OE2-CE1 3.95Å; E383-H425 PolarHBondContact OE2-CE1 3.28Å; E383-H425 IonicContact OE2-NE2 2.77Å; E383-H425 PolarHBondContact OE2-NE2 2.88Å; E383-L426 HydrophobicContact CB-CD1 4.13Å; E383-L426 HydrophobicContact CG-CD1 4.42Å |
| 384 | Q | 88.1 | Confident | 82.2 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 176.9 | -170.3 | 62.2 | 27.9 | 0 | 0 | 111.7 | M380 Q381 L382 T386 V387 M388 | M380-Q384 PolarHBondContact O-N 2.81Å; Q381-Q384 PolarHBondContact O-N 2.91Å; L382-Q384 VanDerWaalsContact C-N 3.35Å; Q384-T386 PolarHBondContact O-N 2.71Å; Q384-V387 PolarHBondContact O-N 2.92Å; Q384-M388 HydrophobicContact CG-CG 4.45Å; Q384-M388 VanDerWaalsContact O-CG 3.25Å; Q384-M388 WeakPolarHBondContact O-CG 3.34Å; Q384-M388 PolarHBondContact O-N 2.76Å |
| 385 | D | 88.3 | Confident | 83.2 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -35.4 | 176.7 | -70.5 | -5.4 | 0 | 0 | 0 | 111.8 | Q349 Q381 L382 G389 | Q349-D385 PolarHBondContact NE2-OD2 3.21Å; Q381-D385 PolarHBondContact NE2-OD1 2.98Å; Q381-D385 WeakPolarHBondContact O-CB 3.43Å; Q381-D385 PolarHBondContact O-N 3.34Å; L382-D385 PolarHBondContact O-N 3.11Å; D385-G389 PolarHBondContact O-N 3.39Å |
| 386 | T | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66 | -48.8 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | L367 A368 L382 E383 Q384 G389 L390 L419 | L367-T386 HydrophobicContact CG-CG2 4.39Å; L367-T386 WeakPolarHBondContact CG-OG1 3.44Å; A368-T386 HydrophobicContact CB-CG2 3.93Å; L382-T386 WeakPolarHBondContact O-CB 3.15Å; L382-T386 PolarHBondContact O-N 2.96Å; L382-T386 PolarHBondContact O-OG1 2.97Å; E383-T386 WeakPolarHBondContact O-CB 3.46Å; E383-T386 PolarHBondContact O-N 3.07Å; E383-T386 VanDerWaalsContact O-N 3.16Å; Q384-T386 PolarHBondContact O-N 2.71Å; T386-G389 PolarHBondContact O-N 2.88Å; T386-L390 HydrophobicContact CG2-CD1 4.16Å; T386-L390 WeakPolarHBondContact O-CG 2.87Å; T386-L390 PolarHBondContact O-N 3.33Å; T386-L419 HydrophobicContact CG2-CD2 3.81Å |
| 387 | V | 93 | Very high | 86.2 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 178.7 | 174.1 | 0 | 0 | 0 | 0 | 110 | E383 Q384 G389 L390 E391 L419 L426 | E383-V387 WeakPolarHBondContact O-CG2 3.41Å; E383-V387 PolarHBondContact O-N 3.46Å; Q384-V387 PolarHBondContact O-N 2.92Å; V387-G389 VanDerWaalsContact C-N 3.31Å; V387-G389 PolarHBondContact O-N 3.26Å; V387-L390 WeakPolarHBondContact O-CB 3.3Å; V387-L390 PolarHBondContact O-N 2.93Å; V387-L390 VanDerWaalsContact O-N 3.11Å; V387-E391 HydrophobicContact CG1-CG 4.21Å; V387-E391 WeakPolarHBondContact CG1-OE1 3.22Å; V387-E391 VanDerWaalsContact O-CG 3.31Å; V387-E391 WeakPolarHBondContact O-CG 3.13Å; V387-E391 PolarHBondContact O-N 2.86Å; V387-L419 HydrophobicContact CG2-CD2 4.35Å; V387-L426 HydrophobicContact CG2-CD1 4.22Å |
| 388 | M | 92.8 | Very high | 87.9 | Confident | 84 Ų | 84 | 46.8 Ų | 46.8 | 41% | 0.414 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -40 | 177.5 | -65.9 | -60.6 | -59.2 | 0 | 0 | 112.6 | Y353 Q384 S392 | Y353-M388 WeakPolarHBondContact OH-CB 3.15Å; Q384-M388 HydrophobicContact CG-CG 4.45Å; Q384-M388 VanDerWaalsContact O-CG 3.25Å; Q384-M388 WeakPolarHBondContact O-CG 3.34Å; Q384-M388 PolarHBondContact O-N 2.76Å; M388-S392 WeakPolarHBondContact O-CB 3.36Å; M388-S392 PolarHBondContact O-N 3.42Å |
| 389 | G | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D385 T386 V387 L393 | D385-G389 PolarHBondContact O-N 3.39Å; T386-G389 PolarHBondContact O-N 2.88Å; V387-G389 VanDerWaalsContact C-N 3.31Å; V387-G389 PolarHBondContact O-N 3.26Å; G389-L393 PolarHBondContact O-N 2.7Å |
| 390 | L | 94.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -52.5 | 173.3 | -77.4 | 163.9 | 0 | 0 | 0 | 110.7 | V364 T386 V387 S392 L393 L394 A412 L416 L419 | V364-L390 HydrophobicContact CG1-CB 4.27Å; V364-L390 HydrophobicContact CG1-CD1 4.41Å; V364-L390 HydrophobicContact CG1-CD2 3.23Å; V364-L390 HydrophobicContact CG1-CG 3.34Å; T386-L390 HydrophobicContact CG2-CD1 4.16Å; T386-L390 WeakPolarHBondContact O-CG 2.87Å; T386-L390 PolarHBondContact O-N 3.33Å; V387-L390 WeakPolarHBondContact O-CB 3.3Å; V387-L390 PolarHBondContact O-N 2.93Å; V387-L390 VanDerWaalsContact O-N 3.11Å; L390-S392 VanDerWaalsContact C-N 3.32Å; L390-S392 PolarHBondContact O-N 3.13Å; L390-L393 WeakPolarHBondContact O-CB 3.46Å; L390-L393 PolarHBondContact O-N 2.78Å; L390-L393 VanDerWaalsContact O-N 3.14Å; L390-L394 VanDerWaalsContact O-CG 3.26Å; L390-L394 WeakPolarHBondContact O-CG 3.3Å; L390-L394 PolarHBondContact O-N 3.4Å; L390-A412 HydrophobicContact CD2-CB 4.12Å; L390-A412 VanDerWaalsContact CD2-O 3.27Å; L390-A412 WeakPolarHBondContact CD2-O 3.47Å; L390-L416 HydrophobicContact CD1-CB 4.02Å; L390-L416 HydrophobicContact CD1-CD1 3.8Å; L390-L416 HydrophobicContact CD2-CB 4.31Å; L390-L419 HydrophobicContact CD1-CD2 4.11Å |
| 391 | E | 94.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 19% | 0.192 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -46.7 | 179.9 | -71.7 | 179.3 | 172.4 | 0 | 0 | 111.7 | V387 L393 L394 V395 F433 | V387-E391 HydrophobicContact CG1-CG 4.21Å; V387-E391 WeakPolarHBondContact CG1-OE1 3.22Å; V387-E391 VanDerWaalsContact O-CG 3.31Å; V387-E391 WeakPolarHBondContact O-CG 3.13Å; V387-E391 PolarHBondContact O-N 2.86Å; E391-L393 PolarHBondContact O-N 3.45Å; E391-L394 WeakPolarHBondContact O-CB 3.41Å; E391-L394 PolarHBondContact O-N 2.83Å; E391-L394 VanDerWaalsContact O-N 3.14Å; E391-V395 WeakPolarHBondContact O-CG2 3.4Å; E391-V395 PolarHBondContact O-N 3.47Å; E391-F433 HydrophobicContact CB-CD2 4.16Å; E391-F433 HydrophobicContact CB-CE1 4.04Å; E391-F433 HydrophobicContact CB-CE2 3.63Å; E391-F433 HydrophobicContact CB-CZ 3.56Å; E391-F433 HydrophobicContact CG-CD1 3.83Å; E391-F433 HydrophobicContact CG-CD2 3.72Å; E391-F433 HydrophobicContact CG-CE1 3.84Å; E391-F433 HydrophobicContact CG-CE2 3.72Å; E391-F433 HydrophobicContact CG-CG 3.77Å; E391-F433 HydrophobicContact CG-CZ 3.78Å; E391-F433 WeakPolarHBondContact O-CZ 3.39Å |
| 392 | S | 93.6 | Very high | 91.6 | Very high | 43 Ų | 43 | 35.8 Ų | 35.8 | 30% | 0.301 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.5 | -47.3 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | M388 L390 L394 V395 L396 | M388-S392 WeakPolarHBondContact O-CB 3.36Å; M388-S392 PolarHBondContact O-N 3.42Å; L390-S392 VanDerWaalsContact C-N 3.32Å; L390-S392 PolarHBondContact O-N 3.13Å; S392-L394 PolarHBondContact O-N 3.44Å; S392-V395 PolarHBondContact O-N 3.1Å; S392-L396 WeakPolarHBondContact O-CG 3.04Å; S392-L396 PolarHBondContact O-N 3.2Å; S392-L396 VanDerWaalsContact O-N 3.14Å |
| 393 | L | 93.7 | Very high | 92 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.6 | -84.5 | 179.2 | 0 | 0 | 0 | 112.8 | L357 A360 V364 G389 L390 E391 L396 C397 T408 A412 | L357-L393 HydrophobicContact CD2-CD2 4.26Å; A360-L393 HydrophobicContact CB-CD1 4.32Å; A360-L393 HydrophobicContact CB-CD2 3.52Å; A360-L393 HydrophobicContact CB-CG 4.15Å; V364-L393 HydrophobicContact CB-CD1 3.86Å; V364-L393 HydrophobicContact CG1-CD1 4.39Å; V364-L393 HydrophobicContact CG2-CD1 3.58Å; V364-L393 HydrophobicContact CG2-CG 4.37Å; G389-L393 PolarHBondContact O-N 2.7Å; L390-L393 WeakPolarHBondContact O-CB 3.46Å; L390-L393 PolarHBondContact O-N 2.78Å; L390-L393 VanDerWaalsContact O-N 3.14Å; E391-L393 PolarHBondContact O-N 3.45Å; L393-L396 PolarHBondContact O-N 2.96Å; L393-C397 WeakPolarHBondContact O-CB 3.24Å; L393-C397 PolarHBondContact O-N 3.28Å; L393-C397 PolarHBondContact O-SG 3.32Å; L393-T408 HydrophobicContact CD2-CG2 4.16Å; L393-A412 HydrophobicContact CB-CB 4.42Å; L393-A412 HydrophobicContact CD1-CB 4.39Å |
| 394 | L | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 178.7 | -66.6 | 177.4 | 0 | 0 | 0 | 110.2 | L390 E391 S392 L396 C397 S398 L409 A412 L413 L416 F433 L434 | L390-L394 VanDerWaalsContact O-CG 3.26Å; L390-L394 WeakPolarHBondContact O-CG 3.3Å; L390-L394 PolarHBondContact O-N 3.4Å; E391-L394 WeakPolarHBondContact O-CB 3.41Å; E391-L394 PolarHBondContact O-N 2.83Å; E391-L394 VanDerWaalsContact O-N 3.14Å; S392-L394 PolarHBondContact O-N 3.44Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 3.01Å; L394-C397 PolarHBondContact O-N 3.17Å; L394-S398 VanDerWaalsContact O-CB 3.26Å; L394-S398 WeakPolarHBondContact O-CB 3.42Å; L394-S398 PolarHBondContact O-N 2.93Å; L394-S398 PolarHBondContact O-OG 3.41Å; L394-L409 HydrophobicContact CD2-CD1 3.28Å; L394-A412 HydrophobicContact CD2-CB 4.1Å; L394-L413 HydrophobicContact CD1-CD2 4.21Å; L394-L413 HydrophobicContact CD2-CD2 3.57Å; L394-L413 HydrophobicContact CD2-CG 3.71Å; L394-L416 HydrophobicContact CD1-CD2 4.24Å; L394-F433 HydrophobicContact CB-CE1 3.86Å; L394-F433 HydrophobicContact CB-CZ 4.21Å; L394-F433 HydrophobicContact CD1-CD1 4.25Å; L394-F433 HydrophobicContact CD1-CE1 3.64Å; L394-F433 HydrophobicContact CG-CE1 4.37Å; L394-L434 HydrophobicContact CD1-CD2 3.84Å |
| 395 | V | 93.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 39% | 0.394 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.9 | -48.9 | 177 | 176.2 | 0 | 0 | 0 | 0 | 111 | E391 S392 C397 S398 F433 | E391-V395 WeakPolarHBondContact O-CG2 3.4Å; E391-V395 PolarHBondContact O-N 3.47Å; S392-V395 PolarHBondContact O-N 3.1Å; V395-C397 PolarHBondContact O-N 3.38Å; V395-S398 PolarHBondContact O-N 3.22Å; V395-F433 HydrophobicContact CG2-CE2 4.14Å; V395-F433 HydrophobicContact CG2-CZ 3.85Å |
| 396 | L | 92.4 | Very high | 92.5 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -40.4 | -176.7 | -68.4 | 173.3 | 0 | 0 | 0 | 112.8 | L357 S392 L393 L394 | L357-L396 HydrophobicContact CD2-CB 3.95Å; L357-L396 HydrophobicContact CD2-CD1 3.88Å; S392-L396 WeakPolarHBondContact O-CG 3.04Å; S392-L396 PolarHBondContact O-N 3.2Å; S392-L396 VanDerWaalsContact O-N 3.14Å; L393-L396 PolarHBondContact O-N 2.96Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 3.01Å |
| 397 | C | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -83.3 | -21.8 | -176.7 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | L393 L394 V395 Q399 D400 A405 L409 | L393-C397 WeakPolarHBondContact O-CB 3.24Å; L393-C397 PolarHBondContact O-N 3.28Å; L393-C397 PolarHBondContact O-SG 3.32Å; L394-C397 PolarHBondContact O-N 3.17Å; V395-C397 PolarHBondContact O-N 3.38Å; C397-Q399 PolarHBondContact O-N 2.99Å; C397-D400 PolarHBondContact O-N 3.11Å; C397-A405 HydrophobicContact CB-CB 4.4Å; C397-L409 HydrophobicContact CB-CB 3.83Å; C397-L409 HydrophobicContact CB-CD1 4.39Å |
| 398 | S | 91.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -24.7 | -175.4 | -68.3 | 0 | 0 | 0 | 0 | 114 | L394 V395 R442 S445 M449 | L394-S398 VanDerWaalsContact O-CB 3.26Å; L394-S398 WeakPolarHBondContact O-CB 3.42Å; L394-S398 PolarHBondContact O-N 2.93Å; L394-S398 PolarHBondContact O-OG 3.41Å; V395-S398 PolarHBondContact O-N 3.22Å; S398-R442 PolarHBondContact O-N 3.37Å; S398-R442 VanDerWaalsContact O-N 3.11Å; S398-S445 PolarHBondContact O-OG 3.4Å; S398-S445 VanDerWaalsContact O-OG 3.13Å; S398-M449 WeakPolarHBondContact OG-CE 3.41Å |
| 399 | Q | 89.9 | Confident | 92.8 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -2.4 | -178 | -59.4 | -58.3 | -29.9 | 0 | 0 | 114.1 | C397 L440 R442 | C397-Q399 PolarHBondContact O-N 2.99Å; Q399-L440 PolarHBondContact NE2-O 3.29Å; Q399-R442 PolarHBondContact O-NE 3.09Å; Q399-R442 PolarHBondContact O-NH2 3.48Å |
| 400 | D | 90.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | trans | -115.1 | 115.3 | -176.5 | -177.1 | 11.3 | 0 | 0 | 0 | 111.6 | C397 S402 A405 Q406 | C397-D400 PolarHBondContact O-N 3.11Å; D400-S402 VanDerWaalsContact CG-OG 3.29Å; D400-S402 PolarHBondContact O-N 3.29Å; D400-S402 WeakPolarHBondContact OD1-CB 3.38Å; D400-S402 PolarHBondContact OD1-N 2.73Å; D400-S402 PolarHBondContact OD1-OG 3.26Å; D400-S402 WeakPolarHBondContact OD2-CB 3.22Å; D400-S402 PolarHBondContact OD2-OG 3.28Å; D400-A405 HydrophobicContact CB-CB 3.62Å; D400-A405 VanDerWaalsContact OD2-CB 3.22Å; D400-A405 WeakPolarHBondContact OD2-CB 2.95Å; D400-Q406 PolarHBondContact O-NE2 3.43Å | ||
| 401 | D | 88.1 | Confident | 92.8 | Very high | 68 Ų | 68 | 53 Ų | 53 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | -80.7 | 1.5 | 177.9 | -60.5 | -36 | 0 | 0 | 0 | 112.9 | R442 | D401-R442 VanDerWaalsContact CG-CD 3.44Å; D401-R442 WeakPolarHBondContact OD1-CB 3.31Å; D401-R442 WeakPolarHBondContact OD1-CD 3.46Å; D401-R442 WeakPolarHBondContact OD2-CD 3.19Å; D401-R442 IonicContact OD2-CZ 2.63Å; D401-R442 IonicContact OD2-NE 2.64Å; D401-R442 IonicContact OD2-NH1 3.31Å; D401-R442 PolarHBondContact OD2-NH1 3.43Å | ||
| 402 | S | 92 | Very high | 92.9 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -60.6 | 139.2 | 178.6 | 80.5 | 0 | 0 | 0 | 0 | 111 | D400 R404 A405 Q406 | D400-S402 VanDerWaalsContact CG-OG 3.29Å; D400-S402 PolarHBondContact O-N 3.29Å; D400-S402 WeakPolarHBondContact OD1-CB 3.38Å; D400-S402 PolarHBondContact OD1-N 2.73Å; D400-S402 PolarHBondContact OD1-OG 3.26Å; D400-S402 WeakPolarHBondContact OD2-CB 3.22Å; D400-S402 PolarHBondContact OD2-OG 3.28Å; S402-R404 PolarHBondContact O-N 3.42Å; S402-A405 PolarHBondContact O-N 3.37Å; S402-A405 WeakPolarHBondContact OG-CB 3.45Å; S402-A405 PolarHBondContact OG-N 2.95Å; S402-Q406 WeakPolarHBondContact O-CG 3.22Å; S402-Q406 PolarHBondContact O-N 3.02Å |
| 403 | P | 91.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 49.4 Ų | 49.4 | 74% | 0.74 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -55.6 | -27.6 | 178.7 | -28 | 34.4 | 0 | 0 | 0 | 113.6 | A407 | P403-A407 WeakPolarHBondContact O-CB 3.27Å; P403-A407 PolarHBondContact O-N 3.35Å |
| 404 | R | 90.8 | Very high | 93.1 | Very high | 214 Ų | 214 | 53.1 Ų | 53.1 | 81% | 0.808 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.4 | -46.6 | 176.5 | -68.1 | -177.6 | -179.6 | 168.4 | 2 | 111.8 | S402 Q406 A407 T408 | S402-R404 PolarHBondContact O-N 3.42Å; R404-Q406 VanDerWaalsContact C-N 3.34Å; R404-A407 PolarHBondContact O-N 3.23Å; R404-T408 PolarHBondContact O-N 3.11Å; R404-T408 PolarHBondContact O-OG1 3.04Å |
| 405 | A | 92.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C397 D400 S402 A407 T408 L409 | C397-A405 HydrophobicContact CB-CB 4.4Å; D400-A405 HydrophobicContact CB-CB 3.62Å; D400-A405 VanDerWaalsContact OD2-CB 3.22Å; D400-A405 WeakPolarHBondContact OD2-CB 2.95Å; S402-A405 PolarHBondContact O-N 3.37Å; S402-A405 WeakPolarHBondContact OG-CB 3.45Å; S402-A405 PolarHBondContact OG-N 2.95Å; A405-A407 VanDerWaalsContact C-N 3.35Å; A405-A407 PolarHBondContact O-N 3.23Å; A405-T408 WeakPolarHBondContact O-CB 3.43Å; A405-T408 PolarHBondContact O-N 3.08Å; A405-L409 WeakPolarHBondContact O-CB 3.46Å; A405-L409 PolarHBondContact O-N 3.27Å |
| 406 | Q | 93.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.4 | -63.6 | -60.1 | -43.1 | 0 | 0 | 112.6 | D400 S402 R404 L409 K410 S445 | D400-Q406 PolarHBondContact O-NE2 3.43Å; S402-Q406 WeakPolarHBondContact O-CG 3.22Å; S402-Q406 PolarHBondContact O-N 3.02Å; R404-Q406 VanDerWaalsContact C-N 3.34Å; Q406-L409 PolarHBondContact O-N 3.01Å; Q406-K410 WeakPolarHBondContact O-CB 3.4Å; Q406-K410 PolarHBondContact O-N 3.39Å; Q406-S445 PolarHBondContact NE2-OG 3.12Å |
| 407 | A | 93.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P403 R404 A405 T411 | P403-A407 WeakPolarHBondContact O-CB 3.27Å; P403-A407 PolarHBondContact O-N 3.35Å; R404-A407 PolarHBondContact O-N 3.23Å; A405-A407 VanDerWaalsContact C-N 3.35Å; A405-A407 PolarHBondContact O-N 3.23Å; A407-T411 PolarHBondContact O-N 3.5Å; A407-T411 VanDerWaalsContact O-N 3.09Å; A407-T411 PolarHBondContact O-OG1 3.32Å |
| 408 | T | 94.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 174 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | L357 A361 L393 R404 A405 K410 T411 A412 | L357-T408 HydrophobicContact CB-CG2 4.28Å; A361-T408 HydrophobicContact CB-CG2 3.65Å; L393-T408 HydrophobicContact CD2-CG2 4.16Å; R404-T408 PolarHBondContact O-N 3.11Å; R404-T408 PolarHBondContact O-OG1 3.04Å; A405-T408 WeakPolarHBondContact O-CB 3.43Å; A405-T408 PolarHBondContact O-N 3.08Å; T408-K410 VanDerWaalsContact C-N 3.33Å; T408-K410 PolarHBondContact O-N 2.9Å; T408-T411 WeakPolarHBondContact O-CB 3.36Å; T408-T411 PolarHBondContact O-N 3.43Å; T408-A412 PolarHBondContact O-N 3Å |
| 409 | L | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.1 | -47.9 | 177.1 | 178.6 | 54.6 | 0 | 0 | 0 | 111 | L394 C397 A405 Q406 T411 A412 L413 S445 L448 | L394-L409 HydrophobicContact CD2-CD1 3.28Å; C397-L409 HydrophobicContact CB-CB 3.83Å; C397-L409 HydrophobicContact CB-CD1 4.39Å; A405-L409 WeakPolarHBondContact O-CB 3.46Å; A405-L409 PolarHBondContact O-N 3.27Å; Q406-L409 PolarHBondContact O-N 3.01Å; L409-T411 VanDerWaalsContact C-N 3.3Å; L409-T411 PolarHBondContact O-N 3.28Å; L409-A412 PolarHBondContact O-N 2.9Å; L409-L413 HydrophobicContact CD1-CD1 3.82Å; L409-L413 HydrophobicContact CD1-CG 4.01Å; L409-L413 HydrophobicContact CG-CD1 3.91Å; L409-L413 WeakPolarHBondContact O-CB 3.45Å; L409-L413 WeakPolarHBondContact O-CG 3.4Å; L409-L413 PolarHBondContact O-N 3.32Å; L409-S445 VanDerWaalsContact CD2-CB 3.49Å; L409-S445 WeakPolarHBondContact CD2-OG 3.33Å; L409-L448 HydrophobicContact CB-CD1 4.31Å; L409-L448 HydrophobicContact CD2-CB 4.46Å; L409-L448 HydrophobicContact CD2-CD1 3.98Å; L409-L448 HydrophobicContact CG-CD1 4.03Å |
| 410 | K | 95.6 | Very high | 93.5 | Very high | 129 Ų | 129 | 47.1 Ų | 47.1 | 56% | 0.561 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -58.7 | -41.3 | 175.5 | -176 | 174.2 | 179.9 | 176.2 | 0 | 112.2 | Q406 T408 T414 L448 | Q406-K410 WeakPolarHBondContact O-CB 3.4Å; Q406-K410 PolarHBondContact O-N 3.39Å; T408-K410 VanDerWaalsContact C-N 3.33Å; T408-K410 PolarHBondContact O-N 2.9Å; K410-T414 WeakPolarHBondContact O-CB 3.43Å; K410-T414 PolarHBondContact O-N 2.78Å; K410-T414 PolarHBondContact O-OG1 3.46Å; K410-L448 HydrophobicContact CB-CD1 4.27Å |
| 411 | T | 94.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | T365 A407 T408 L409 T414 S415 | T365-T411 WeakPolarHBondContact OG1-CG2 3.33Å; A407-T411 PolarHBondContact O-N 3.5Å; A407-T411 VanDerWaalsContact O-N 3.09Å; A407-T411 PolarHBondContact O-OG1 3.32Å; T408-T411 WeakPolarHBondContact O-CB 3.36Å; T408-T411 PolarHBondContact O-N 3.43Å; L409-T411 VanDerWaalsContact C-N 3.3Å; L409-T411 PolarHBondContact O-N 3.28Å; T411-T414 PolarHBondContact O-N 3.42Å; T411-S415 PolarHBondContact O-N 3.24Å; T411-S415 PolarHBondContact O-OG 3.03Å |
| 412 | A | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L390 L393 L394 T408 L409 T414 S415 L416 | L390-A412 HydrophobicContact CD2-CB 4.12Å; L390-A412 VanDerWaalsContact CD2-O 3.27Å; L390-A412 WeakPolarHBondContact CD2-O 3.47Å; L393-A412 HydrophobicContact CB-CB 4.42Å; L393-A412 HydrophobicContact CD1-CB 4.39Å; L394-A412 HydrophobicContact CD2-CB 4.1Å; T408-A412 PolarHBondContact O-N 3Å; L409-A412 PolarHBondContact O-N 2.9Å; A412-T414 VanDerWaalsContact C-N 3.34Å; A412-T414 PolarHBondContact O-N 2.88Å; A412-S415 WeakPolarHBondContact O-CB 3.35Å; A412-S415 PolarHBondContact O-N 2.76Å; A412-S415 VanDerWaalsContact O-N 3.15Å; A412-L416 PolarHBondContact O-N 3.28Å |
| 413 | L | 96.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.5 | -71.6 | 170.8 | 0 | 0 | 0 | 112.4 | L394 L409 S415 L416 V417 L434 L448 M449 A452 | L394-L413 HydrophobicContact CD1-CD2 4.21Å; L394-L413 HydrophobicContact CD2-CD2 3.57Å; L394-L413 HydrophobicContact CD2-CG 3.71Å; L409-L413 HydrophobicContact CD1-CD1 3.82Å; L409-L413 HydrophobicContact CD1-CG 4.01Å; L409-L413 HydrophobicContact CG-CD1 3.91Å; L409-L413 WeakPolarHBondContact O-CB 3.45Å; L409-L413 WeakPolarHBondContact O-CG 3.4Å; L409-L413 PolarHBondContact O-N 3.32Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-S415 PolarHBondContact O-N 2.93Å; L413-L416 PolarHBondContact O-N 3.41Å; L413-V417 VanDerWaalsContact O-CG2 3.26Å; L413-V417 WeakPolarHBondContact O-CG2 3.46Å; L413-V417 PolarHBondContact O-N 3.01Å; L413-L434 HydrophobicContact CD2-CD2 3.78Å; L413-L448 HydrophobicContact CD1-CB 3.7Å; L413-M449 HydrophobicContact CD1-CG 4.28Å; L413-M449 HydrophobicContact CD2-CG 4.48Å; L413-A452 HydrophobicContact CB-CB 4.09Å; L413-A452 HydrophobicContact CD1-CB 4.4Å; L413-A452 HydrophobicContact CD2-CB 3.82Å; L413-A452 HydrophobicContact CG-CB 4.32Å |
| 414 | T | 95.2 | Very high | 93.1 | Very high | 79 Ų | 79 | 45 Ų | 45 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63 | -42 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | K410 T411 A412 V417 Q418 | K410-T414 WeakPolarHBondContact O-CB 3.43Å; K410-T414 PolarHBondContact O-N 2.78Å; K410-T414 PolarHBondContact O-OG1 3.46Å; T411-T414 PolarHBondContact O-N 3.42Å; A412-T414 VanDerWaalsContact C-N 3.34Å; A412-T414 PolarHBondContact O-N 2.88Å; T414-V417 PolarHBondContact O-N 3.08Å; T414-Q418 PolarHBondContact O-N 3.18Å; T414-Q418 VanDerWaalsContact O-N 3.07Å |
| 415 | S | 95.3 | Very high | 93 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | T365 T411 A412 L413 Q418 L419 | T365-S415 PolarHBondContact OG1-OG 3.27Å; T411-S415 PolarHBondContact O-N 3.24Å; T411-S415 PolarHBondContact O-OG 3.03Å; A412-S415 WeakPolarHBondContact O-CB 3.35Å; A412-S415 PolarHBondContact O-N 2.76Å; A412-S415 VanDerWaalsContact O-N 3.15Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-S415 PolarHBondContact O-N 2.93Å; S415-Q418 PolarHBondContact O-N 3.45Å; S415-L419 WeakPolarHBondContact O-CB 3.31Å; S415-L419 PolarHBondContact O-N 2.9Å |
| 416 | L | 95.7 | Very high | 93 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -50.2 | 174.7 | 179.7 | 63 | 0 | 0 | 0 | 111.2 | L390 L394 A412 L413 Q418 L419 L420 A430 L434 | L390-L416 HydrophobicContact CD1-CB 4.02Å; L390-L416 HydrophobicContact CD1-CD1 3.8Å; L390-L416 HydrophobicContact CD2-CB 4.31Å; L394-L416 HydrophobicContact CD1-CD2 4.24Å; A412-L416 PolarHBondContact O-N 3.28Å; L413-L416 PolarHBondContact O-N 3.41Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.84Å; L416-L419 WeakPolarHBondContact O-CB 3.41Å; L416-L419 PolarHBondContact O-N 3.27Å; L416-L419 VanDerWaalsContact O-N 3.15Å; L416-L420 HydrophobicContact CD1-CD1 4.03Å; L416-L420 HydrophobicContact CD1-CD2 4.34Å; L416-L420 HydrophobicContact CD1-CG 4Å; L416-L420 HydrophobicContact CG-CD1 4.06Å; L416-L420 HydrophobicContact CG-CG 4.35Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.31Å; L416-L420 PolarHBondContact O-N 3.44Å; L416-A430 HydrophobicContact CD1-CB 4.12Å; L416-L434 HydrophobicContact CD2-CD1 3.94Å; L416-L434 HydrophobicContact CD2-CD2 4.39Å; L416-L434 HydrophobicContact CD2-CG 4.32Å |
| 417 | V | 94.6 | Very high | 92.9 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.7 | -43.1 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L413 T414 K421 A452 A455 I456 | L413-V417 VanDerWaalsContact O-CG2 3.26Å; L413-V417 WeakPolarHBondContact O-CG2 3.46Å; L413-V417 PolarHBondContact O-N 3.01Å; T414-V417 PolarHBondContact O-N 3.08Å; V417-K421 PolarHBondContact O-N 3.23Å; V417-A452 HydrophobicContact CG2-CB 4.03Å; V417-A455 HydrophobicContact CG1-CB 3.92Å; V417-A455 HydrophobicContact CG2-CB 4.23Å; V417-I456 HydrophobicContact CG2-CD1 4.39Å; V417-I456 HydrophobicContact CG2-CG1 4.09Å |
| 418 | Q | 92.6 | Very high | 92.9 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68 | -38.2 | 178.8 | -166.1 | -174.5 | -23 | 0 | 0 | 112.7 | I372 T414 S415 L416 S422 | I372-Q418 HydrophobicContact CD1-CB 4.21Å; I372-Q418 HydrophobicContact CD1-CG 3.79Å; T414-Q418 PolarHBondContact O-N 3.18Å; T414-Q418 VanDerWaalsContact O-N 3.07Å; S415-Q418 PolarHBondContact O-N 3.45Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.84Å; Q418-S422 PolarHBondContact O-N 3.47Å; Q418-S422 PolarHBondContact O-OG 2.92Å; Q418-S422 VanDerWaalsContact O-OG 3.05Å |
| 419 | L | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -51 | 175.1 | 178.5 | 65.5 | 0 | 0 | 0 | 110.4 | A371 I372 T386 V387 L390 S415 L416 K421 S422 R423 L426 | A371-L419 HydrophobicContact CB-CD1 3.9Å; I372-L419 HydrophobicContact CG1-CD1 4.01Å; T386-L419 HydrophobicContact CG2-CD2 3.81Å; V387-L419 HydrophobicContact CG2-CD2 4.35Å; L390-L419 HydrophobicContact CD1-CD2 4.11Å; S415-L419 WeakPolarHBondContact O-CB 3.31Å; S415-L419 PolarHBondContact O-N 2.9Å; L416-L419 WeakPolarHBondContact O-CB 3.41Å; L416-L419 PolarHBondContact O-N 3.27Å; L416-L419 VanDerWaalsContact O-N 3.15Å; L419-K421 VanDerWaalsContact C-N 3.33Å; L419-K421 PolarHBondContact O-N 2.96Å; L419-S422 CarbonylContact O-C 3.53Å; L419-S422 PolarHBondContact O-N 3.23Å; L419-R423 HydrophobicContact CD1-CG 4.14Å; L419-R423 WeakPolarHBondContact O-CB 3.28Å; L419-R423 PolarHBondContact O-N 3.19Å; L419-L426 HydrophobicContact CD2-CD1 4.31Å; L419-L426 HydrophobicContact CG-CD1 4.36Å |
| 420 | L | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -34.8 | -178.5 | -63.4 | -176.8 | 0 | 0 | 0 | 112.6 | L416 S422 R423 L426 A430 I456 | L416-L420 HydrophobicContact CD1-CD1 4.03Å; L416-L420 HydrophobicContact CD1-CD2 4.34Å; L416-L420 HydrophobicContact CD1-CG 4Å; L416-L420 HydrophobicContact CG-CD1 4.06Å; L416-L420 HydrophobicContact CG-CG 4.35Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.31Å; L416-L420 PolarHBondContact O-N 3.44Å; L420-S422 PolarHBondContact O-N 2.98Å; L420-R423 CarbonylContact O-C 3.49Å; L420-R423 PolarHBondContact O-N 2.66Å; L420-L426 HydrophobicContact CD2-CB 3.68Å; L420-A430 HydrophobicContact CD1-CB 3.81Å; L420-A430 HydrophobicContact CD2-CB 4.12Å; L420-I456 HydrophobicContact CD1-CD1 3.64Å; L420-I456 HydrophobicContact CD1-CG1 3.97Å; L420-I456 HydrophobicContact CD1-CG2 4.32Å |
| 421 | K | 88.4 | Confident | 92.6 | Very high | 92 Ų | 92 | 40 Ų | 40 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.4 | -38.2 | 171.3 | -172.5 | 174.2 | -177.9 | 177.8 | 0 | 111.9 | V417 L419 Q459 | V417-K421 PolarHBondContact O-N 3.23Å; L419-K421 VanDerWaalsContact C-N 3.33Å; L419-K421 PolarHBondContact O-N 2.96Å; K421-Q459 VanDerWaalsContact CG-OE1 3.26Å |
| 422 | S | 88.3 | Confident | 92.6 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -90.9 | -25.2 | -175.9 | -49.2 | 0 | 0 | 0 | 0 | 112.7 | Q418 L419 L420 | Q418-S422 PolarHBondContact O-N 3.47Å; Q418-S422 PolarHBondContact O-OG 2.92Å; Q418-S422 VanDerWaalsContact O-OG 3.05Å; L419-S422 CarbonylContact O-C 3.53Å; L419-S422 PolarHBondContact O-N 3.23Å; L420-S422 PolarHBondContact O-N 2.98Å |
| 423 | R | 87.9 | Confident | 92.6 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | trans | -129.5 | 74.1 | -176.9 | -60 | -58.3 | -170.9 | -174.8 | 0.6 | 110.9 | A371 C374 E376 E383 L419 L420 H425 L426 | A371-R423 PolarHBondContact O-NE 3.46Å; A371-R423 PolarHBondContact O-NH2 3.49Å; A371-R423 VanDerWaalsContact O-NH2 3.1Å; C374-R423 PolarHBondContact O-NH2 3.05Å; E376-R423 IonicContact OE1-NH1 3.84Å; E376-R423 PolarHBondContact OE1-NH1 3.15Å; E376-R423 VanDerWaalsContact OE1-NH1 3.09Å; E383-R423 VanDerWaalsContact OE1-CD 3.31Å; E383-R423 WeakPolarHBondContact OE1-CD 3.47Å; E383-R423 IonicContact OE1-CZ 2.66Å; E383-R423 IonicContact OE1-NE 2.73Å; E383-R423 PolarHBondContact OE1-NE 2.94Å; E383-R423 VanDerWaalsContact OE1-NE 3.14Å; L419-R423 HydrophobicContact CD1-CG 4.14Å; L419-R423 WeakPolarHBondContact O-CB 3.28Å; L419-R423 PolarHBondContact O-N 3.19Å; L420-R423 CarbonylContact O-C 3.49Å; L420-R423 PolarHBondContact O-N 2.66Å; R423-H425 PolarHBondContact O-N 3.37Å; R423-H425 VanDerWaalsContact O-N 3.13Å; R423-L426 HydrophobicContact CB-CD1 3.87Å; R423-L426 HydrophobicContact CB-CG 4.25Å; R423-L426 HydrophobicContact CG-CD1 4.49Å; R423-L426 PolarHBondContact O-N 3.2Å | ||
| 424 | P | 89 | Confident | 92.5 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -60.3 | -26.2 | -173.8 | -27 | 36.7 | 0 | 0 | 0 | 114.7 | L426 S427 L460 | P424-L426 PolarHBondContact O-N 3.45Å; P424-S427 VanDerWaalsContact O-CB 3.28Å; P424-S427 WeakPolarHBondContact O-CB 3.48Å; P424-S427 PolarHBondContact O-N 3.32Å; P424-S427 VanDerWaalsContact O-N 3.08Å; P424-S427 PolarHBondContact O-OG 3.07Å; P424-L460 HydrophobicContact CB-CD1 4.21Å; P424-L460 HydrophobicContact CB-CD2 4.17Å |
| 425 | H | 89.6 | Confident | 92.5 | Very high | 123 Ų | 123 | 40.2 Ų | 40.2 | 57% | 0.569 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -63 | -19.9 | -180 | 65.6 | -77.5 | 0 | 0 | 0 | 114.1 | E383 R423 | E383-H425 IonicContact OE1-CE1 3.23Å; E383-H425 IonicContact OE1-NE2 2.76Å; E383-H425 IonicContact OE2-CE1 3.95Å; E383-H425 PolarHBondContact OE2-CE1 3.28Å; E383-H425 IonicContact OE2-NE2 2.77Å; E383-H425 PolarHBondContact OE2-NE2 2.88Å; R423-H425 PolarHBondContact O-N 3.37Å; R423-H425 VanDerWaalsContact O-N 3.13Å |
| 426 | L | 91.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -86.6 | -5.5 | 177.6 | -58.1 | 176.3 | 0 | 0 | 0 | 113.3 | E383 V387 L419 L420 R423 P424 S429 A430 | E383-L426 HydrophobicContact CB-CD1 4.13Å; E383-L426 HydrophobicContact CG-CD1 4.42Å; V387-L426 HydrophobicContact CG2-CD1 4.22Å; L419-L426 HydrophobicContact CD2-CD1 4.31Å; L419-L426 HydrophobicContact CG-CD1 4.36Å; L420-L426 HydrophobicContact CD2-CB 3.68Å; R423-L426 HydrophobicContact CB-CD1 3.87Å; R423-L426 HydrophobicContact CB-CG 4.25Å; R423-L426 HydrophobicContact CG-CD1 4.49Å; R423-L426 PolarHBondContact O-N 3.2Å; P424-L426 PolarHBondContact O-N 3.45Å; L426-S429 PolarHBondContact O-OG 3.36Å; L426-A430 WeakPolarHBondContact O-CB 3.42Å; L426-A430 PolarHBondContact O-N 2.97Å |
| 427 | S | 91.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.5 | -34.9 | -163.9 | -50.1 | 0 | 0 | 0 | 0 | 113.8 | P424 V431 L460 | P424-S427 VanDerWaalsContact O-CB 3.28Å; P424-S427 WeakPolarHBondContact O-CB 3.48Å; P424-S427 PolarHBondContact O-N 3.32Å; P424-S427 VanDerWaalsContact O-N 3.08Å; P424-S427 PolarHBondContact O-OG 3.07Å; S427-V431 WeakPolarHBondContact O-CB 3.46Å; S427-V431 VanDerWaalsContact O-CG2 3.29Å; S427-V431 WeakPolarHBondContact O-CG2 3.4Å; S427-V431 PolarHBondContact O-N 3.35Å; S427-L460 WeakPolarHBondContact OG-CD1 2.91Å |
| 428 | Q | 92.4 | Very high | 92.3 | Very high | 125 Ų | 125 | 43.3 Ų | 43.3 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.8 | -52.3 | -178.3 | -178.8 | 176.2 | -12.2 | 0 | 0 | 111.5 | A430 V431 E432 L463 | Q428-A430 VanDerWaalsContact C-N 3.33Å; Q428-A430 PolarHBondContact O-N 3.01Å; Q428-V431 PolarHBondContact O-N 3.1Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.41Å; Q428-E432 PolarHBondContact NE2-OE1 2.6Å; Q428-E432 WeakPolarHBondContact O-CG 3.25Å; Q428-E432 PolarHBondContact O-N 3.17Å; Q428-L463 HydrophobicContact CB-CD2 4.3Å |
| 429 | S | 92.6 | Very high | 92.3 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 179.5 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | L426 V431 E432 F433 | L426-S429 PolarHBondContact O-OG 3.36Å; S429-V431 PolarHBondContact O-N 2.87Å; S429-E432 PolarHBondContact O-N 2.92Å; S429-F433 WeakPolarHBondContact O-CB 2.93Å; S429-F433 PolarHBondContact O-N 3.32Å |
| 430 | A | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L416 L420 L426 Q428 L434 | L416-A430 HydrophobicContact CD1-CB 4.12Å; L420-A430 HydrophobicContact CD1-CB 3.81Å; L420-A430 HydrophobicContact CD2-CB 4.12Å; L426-A430 WeakPolarHBondContact O-CB 3.42Å; L426-A430 PolarHBondContact O-N 2.97Å; Q428-A430 VanDerWaalsContact C-N 3.33Å; Q428-A430 PolarHBondContact O-N 3.01Å; A430-L434 WeakPolarHBondContact O-CB 3.45Å; A430-L434 VanDerWaalsContact O-CG 3.3Å; A430-L434 WeakPolarHBondContact O-CG 3.33Å; A430-L434 PolarHBondContact O-N 2.88Å |
| 431 | V | 94.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 175.5 | 165.3 | 0 | 0 | 0 | 0 | 111 | S427 Q428 S429 F433 L434 L435 L453 I456 L463 M467 | S427-V431 WeakPolarHBondContact O-CB 3.46Å; S427-V431 VanDerWaalsContact O-CG2 3.29Å; S427-V431 WeakPolarHBondContact O-CG2 3.4Å; S427-V431 PolarHBondContact O-N 3.35Å; Q428-V431 PolarHBondContact O-N 3.1Å; S429-V431 PolarHBondContact O-N 2.87Å; V431-F433 VanDerWaalsContact C-N 3.28Å; V431-F433 PolarHBondContact O-N 3.24Å; V431-L434 PolarHBondContact O-N 3.45Å; V431-L434 VanDerWaalsContact O-N 3.13Å; V431-L435 HydrophobicContact CG1-CD1 4.1Å; V431-L435 HydrophobicContact CG1-CG 4.37Å; V431-L435 WeakPolarHBondContact O-CG 3.27Å; V431-L435 PolarHBondContact O-N 2.93Å; V431-L453 HydrophobicContact CG1-CD2 4.45Å; V431-L453 HydrophobicContact CG2-CD2 4.33Å; V431-I456 HydrophobicContact CG2-CG2 4Å; V431-L463 HydrophobicContact CG2-CD1 4.04Å; V431-M467 HydrophobicContact CG1-CE 4.09Å; V431-M467 HydrophobicContact CG1-CG 3.43Å; V431-M467 VanDerWaalsContact CG1-CG 3.43Å; V431-M467 HydrophobicContact CG1-SD 3.47Å; V431-M467 WeakPolarHBondContact CG1-SD 3.45Å; V431-M467 HydrophobicContact CG2-SD 4.44Å |
| 432 | E | 93.9 | Very high | 92.3 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.8 | -43 | 175.5 | -71.8 | 170.6 | -169.6 | 0 | 0 | 111.4 | Q428 S429 L435 C436 | Q428-E432 WeakPolarHBondContact CG-OE1 3.41Å; Q428-E432 PolarHBondContact NE2-OE1 2.6Å; Q428-E432 WeakPolarHBondContact O-CG 3.25Å; Q428-E432 PolarHBondContact O-N 3.17Å; S429-E432 PolarHBondContact O-N 2.92Å; E432-L435 PolarHBondContact O-N 2.98Å; E432-C436 PolarHBondContact O-N 3.48Å; E432-C436 PolarHBondContact O-SG 2.78Å |
| 433 | F | 95.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 173.8 | 173.3 | -90.1 | 0 | 0 | 0 | 112.2 | E391 L394 V395 S429 V431 L435 C436 Q437 | E391-F433 HydrophobicContact CB-CD2 4.16Å; E391-F433 HydrophobicContact CB-CE1 4.04Å; E391-F433 HydrophobicContact CB-CE2 3.63Å; E391-F433 HydrophobicContact CB-CZ 3.56Å; E391-F433 HydrophobicContact CG-CD1 3.83Å; E391-F433 HydrophobicContact CG-CD2 3.72Å; E391-F433 HydrophobicContact CG-CE1 3.84Å; E391-F433 HydrophobicContact CG-CE2 3.72Å; E391-F433 HydrophobicContact CG-CG 3.77Å; E391-F433 HydrophobicContact CG-CZ 3.78Å; E391-F433 WeakPolarHBondContact O-CZ 3.39Å; L394-F433 HydrophobicContact CB-CE1 3.86Å; L394-F433 HydrophobicContact CB-CZ 4.21Å; L394-F433 HydrophobicContact CD1-CD1 4.25Å; L394-F433 HydrophobicContact CD1-CE1 3.64Å; L394-F433 HydrophobicContact CG-CE1 4.37Å; V395-F433 HydrophobicContact CG2-CE2 4.14Å; V395-F433 HydrophobicContact CG2-CZ 3.85Å; S429-F433 WeakPolarHBondContact O-CB 2.93Å; S429-F433 PolarHBondContact O-N 3.32Å; V431-F433 VanDerWaalsContact C-N 3.28Å; V431-F433 PolarHBondContact O-N 3.24Å; F433-L435 VanDerWaalsContact C-N 3.34Å; F433-L435 PolarHBondContact O-N 3.4Å; F433-C436 WeakPolarHBondContact O-CB 3.46Å; F433-C436 PolarHBondContact O-N 2.92Å; F433-Q437 HydrophobicContact CD1-CG 4.08Å; F433-Q437 HydrophobicContact CD2-CG 4.43Å; F433-Q437 HydrophobicContact CE1-CG 3.47Å; F433-Q437 VanDerWaalsContact CE1-CG 3.47Å; F433-Q437 HydrophobicContact CE2-CG 3.89Å; F433-Q437 HydrophobicContact CZ-CG 3.37Å; F433-Q437 WeakPolarHBondContact O-CG 3.47Å; F433-Q437 PolarHBondContact O-N 3.41Å |
| 434 | L | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | -179.9 | -76.3 | 174.9 | 0 | 0 | 0 | 111.9 | L394 L413 L416 A430 V431 Q437 L438 M449 L453 I456 | L394-L434 HydrophobicContact CD1-CD2 3.84Å; L413-L434 HydrophobicContact CD2-CD2 3.78Å; L416-L434 HydrophobicContact CD2-CD1 3.94Å; L416-L434 HydrophobicContact CD2-CD2 4.39Å; L416-L434 HydrophobicContact CD2-CG 4.32Å; A430-L434 WeakPolarHBondContact O-CB 3.45Å; A430-L434 VanDerWaalsContact O-CG 3.3Å; A430-L434 WeakPolarHBondContact O-CG 3.33Å; A430-L434 PolarHBondContact O-N 2.88Å; V431-L434 PolarHBondContact O-N 3.45Å; V431-L434 VanDerWaalsContact O-N 3.13Å; L434-Q437 PolarHBondContact O-N 3.29Å; L434-L438 VanDerWaalsContact O-CB 3.32Å; L434-L438 WeakPolarHBondContact O-CB 3.18Å; L434-L438 PolarHBondContact O-N 3.5Å; L434-M449 HydrophobicContact CD2-CG 4.43Å; L434-L453 HydrophobicContact CB-CD2 3.78Å; L434-L453 HydrophobicContact CB-CG 4.39Å; L434-L453 HydrophobicContact CD1-CD2 3.62Å; L434-L453 HydrophobicContact CD1-CG 4.29Å; L434-L453 HydrophobicContact CG-CD2 4.37Å; L434-I456 HydrophobicContact CD1-CD1 3.96Å |
| 435 | L | 94.5 | Very high | 93 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 175.6 | -69.4 | 173.6 | 0 | 0 | 0 | 111.8 | V431 E432 F433 Q437 L438 H439 L453 M467 D470 L471 | V431-L435 HydrophobicContact CG1-CD1 4.1Å; V431-L435 HydrophobicContact CG1-CG 4.37Å; V431-L435 WeakPolarHBondContact O-CG 3.27Å; V431-L435 PolarHBondContact O-N 2.93Å; E432-L435 PolarHBondContact O-N 2.98Å; F433-L435 VanDerWaalsContact C-N 3.34Å; F433-L435 PolarHBondContact O-N 3.4Å; L435-Q437 VanDerWaalsContact C-N 3.35Å; L435-Q437 PolarHBondContact O-N 2.8Å; L435-L438 WeakPolarHBondContact O-CB 3.44Å; L435-L438 PolarHBondContact O-N 2.8Å; L435-H439 PolarHBondContact O-N 3.28Å; L435-H439 PolarHBondContact O-ND1 3.35Å; L435-L453 HydrophobicContact CD2-CD1 4.1Å; L435-M467 HydrophobicContact CD1-CB 4.18Å; L435-M467 HydrophobicContact CD1-CG 3.93Å; L435-M467 HydrophobicContact CD2-CB 4.34Å; L435-M467 HydrophobicContact CD2-CE 4.26Å; L435-D470 HydrophobicContact CD1-CB 4.47Å; L435-D470 HydrophobicContact CD2-CB 4.14Å; L435-L471 HydrophobicContact CD2-CD2 4.35Å; L435-L471 HydrophobicContact CD2-CG 4.46Å |
| 436 | C | 93.9 | Very high | 93.2 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 53% | 0.527 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.1 | -47 | 173 | -72 | 0 | 0 | 0 | 0 | 111.4 | E432 F433 L438 H439 | E432-C436 PolarHBondContact O-N 3.48Å; E432-C436 PolarHBondContact O-SG 2.78Å; F433-C436 WeakPolarHBondContact O-CB 3.46Å; F433-C436 PolarHBondContact O-N 2.92Å; C436-L438 VanDerWaalsContact C-N 3.33Å; C436-L438 PolarHBondContact O-N 2.87Å; C436-H439 PolarHBondContact O-N 2.89Å |
| 437 | Q | 94.7 | Very high | 93.4 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -32 | 179 | -70.5 | -53.7 | -54.6 | 0 | 0 | 113.2 | F433 L434 L435 H439 L440 A441 M449 | F433-Q437 HydrophobicContact CD1-CG 4.08Å; F433-Q437 HydrophobicContact CD2-CG 4.43Å; F433-Q437 HydrophobicContact CE1-CG 3.47Å; F433-Q437 VanDerWaalsContact CE1-CG 3.47Å; F433-Q437 HydrophobicContact CE2-CG 3.89Å; F433-Q437 HydrophobicContact CZ-CG 3.37Å; F433-Q437 WeakPolarHBondContact O-CG 3.47Å; F433-Q437 PolarHBondContact O-N 3.41Å; L434-Q437 PolarHBondContact O-N 3.29Å; L435-Q437 VanDerWaalsContact C-N 3.35Å; L435-Q437 PolarHBondContact O-N 2.8Å; Q437-H439 PolarHBondContact O-N 3.37Å; Q437-L440 PolarHBondContact O-N 3.43Å; Q437-A441 VanDerWaalsContact O-CB 3.27Å; Q437-A441 WeakPolarHBondContact O-CB 3.33Å; Q437-A441 PolarHBondContact O-N 2.9Å; Q437-M449 HydrophobicContact CB-CE 3.71Å; Q437-M449 HydrophobicContact CB-SD 4.24Å |
| 438 | L | 93.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | -179.7 | -161.5 | 66.8 | 0 | 0 | 0 | 111.8 | L434 L435 C436 R446 M449 L453 L471 L474 L493 | L434-L438 VanDerWaalsContact O-CB 3.32Å; L434-L438 WeakPolarHBondContact O-CB 3.18Å; L434-L438 PolarHBondContact O-N 3.5Å; L435-L438 WeakPolarHBondContact O-CB 3.44Å; L435-L438 PolarHBondContact O-N 2.8Å; C436-L438 VanDerWaalsContact C-N 3.33Å; C436-L438 PolarHBondContact O-N 2.87Å; L438-R446 HydrophobicContact CD1-CB 3.88Å; L438-R446 HydrophobicContact CD1-CG 3.98Å; L438-R446 WeakPolarHBondContact O-CG 3.41Å; L438-R446 PolarHBondContact O-NE 2.96Å; L438-M449 HydrophobicContact CD1-CB 3.58Å; L438-M449 HydrophobicContact CD1-CG 4.45Å; L438-M449 HydrophobicContact CD1-SD 4.07Å; L438-L453 HydrophobicContact CD2-CD1 4.15Å; L438-L471 HydrophobicContact CD2-CD2 4.13Å; L438-L474 HydrophobicContact CB-CD1 3.91Å; L438-L474 HydrophobicContact CD2-CD1 3.32Å; L438-L474 HydrophobicContact CG-CD1 3.57Å; L438-L493 HydrophobicContact CD2-CD2 4.34Å |
| 439 | H | 91.2 | Very high | 93.8 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 37% | 0.366 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65 | -39.6 | 174 | -71.8 | 86.8 | 0 | 0 | 0 | 112.7 | L435 C436 Q437 R446 | L435-H439 PolarHBondContact O-N 3.28Å; L435-H439 PolarHBondContact O-ND1 3.35Å; C436-H439 PolarHBondContact O-N 2.89Å; Q437-H439 PolarHBondContact O-N 3.37Å; H439-R446 PolarHBondContact O-NH2 3.18Å |
| 440 | L | 91.4 | Very high | 94 | Very high | 111 Ų | 111 | 32.9 Ų | 32.9 | 58% | 0.581 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -83.9 | -29.2 | -175.2 | -57.9 | 177.3 | 0 | 0 | 0 | 112.9 | Q399 Q437 | Q399-L440 PolarHBondContact NE2-O 3.29Å; Q437-L440 PolarHBondContact O-N 3.43Å |
| 441 | A | 92.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -70.2 | 159.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q437 R446 M449 | Q437-A441 VanDerWaalsContact O-CB 3.27Å; Q437-A441 WeakPolarHBondContact O-CB 3.33Å; Q437-A441 PolarHBondContact O-N 2.9Å; A441-R446 HydrophobicContact CB-CG 3.98Å; A441-R446 VanDerWaalsContact O-CZ 3.23Å; A441-R446 PolarHBondContact O-NE 3.48Å; A441-R446 PolarHBondContact O-NH2 2.89Å; A441-M449 HydrophobicContact CB-CE 4.5Å; A441-M449 HydrophobicContact CB-SD 4.1Å |
| 442 | R | 91 | Very high | 94.1 | Very high | 118 Ų | 118 | 37.3 Ų | 37.3 | 45% | 0.445 | 18% | 0.183 | S | C | . | . | trans | -77.5 | 158.5 | 167.9 | -61.7 | -172.3 | -178.2 | -175.1 | 6.8 | 111.5 | S398 Q399 D401 P444 S445 R446 | S398-R442 PolarHBondContact O-N 3.37Å; S398-R442 VanDerWaalsContact O-N 3.11Å; Q399-R442 PolarHBondContact O-NE 3.09Å; Q399-R442 PolarHBondContact O-NH2 3.48Å; D401-R442 VanDerWaalsContact CG-CD 3.44Å; D401-R442 WeakPolarHBondContact OD1-CB 3.31Å; D401-R442 WeakPolarHBondContact OD1-CD 3.46Å; D401-R442 WeakPolarHBondContact OD2-CD 3.19Å; D401-R442 IonicContact OD2-CZ 2.63Å; D401-R442 IonicContact OD2-NE 2.64Å; D401-R442 IonicContact OD2-NH1 3.31Å; D401-R442 PolarHBondContact OD2-NH1 3.43Å; R442-P444 VanDerWaalsContact C-CD 3.49Å; R442-S445 WeakPolarHBondContact O-CA 3.25Å; R442-S445 WeakPolarHBondContact O-CB 3.34Å; R442-S445 PolarHBondContact O-N 3.4Å; R442-R446 WeakPolarHBondContact O-CG 3.46Å; R442-R446 PolarHBondContact O-N 2.9Å | ||
| 443 | D | 91.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.4 | -41.1 | -173.8 | -63.4 | -18.3 | 0 | 0 | 0 | 115.6 | S445 R446 V447 S481 T483 K485 L489 | D443-S445 VanDerWaalsContact C-N 3.28Å; D443-S445 PolarHBondContact O-N 2.97Å; D443-R446 PolarHBondContact O-N 3.49Å; D443-R446 IonicContact OD1-CZ 2.67Å; D443-R446 IonicContact OD1-NH1 2.78Å; D443-R446 PolarHBondContact OD1-NH1 3.26Å; D443-V447 WeakPolarHBondContact O-CG2 3.37Å; D443-V447 PolarHBondContact O-N 3.31Å; D443-S481 VanDerWaalsContact OD2-CB 3.31Å; D443-S481 WeakPolarHBondContact OD2-CB 3.37Å; D443-S481 PolarHBondContact OD2-OG 3.1Å; D443-T483 VanDerWaalsContact OD2-CG2 3.24Å; D443-T483 WeakPolarHBondContact OD2-CG2 3.09Å; D443-T483 PolarHBondContact OD2-OG1 2.93Å; D443-K485 HydrophobicContact CB-CB 4.18Å; D443-L489 HydrophobicContact CB-CD2 4.02Å; D443-L489 WeakPolarHBondContact OD1-CD2 3.48Å |
| 444 | P | 92.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 175.1 | -21.4 | 31.8 | 0 | 0 | 0 | 112.4 | R442 V447 L448 K485 | R442-P444 VanDerWaalsContact C-CD 3.49Å; P444-V447 PolarHBondContact O-N 3.16Å; P444-L448 PolarHBondContact O-N 3.37Å; P444-K485 HydrophobicContact CB-CG 4.42Å; P444-K485 HydrophobicContact CG-CG 3.98Å |
| 445 | S | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | S398 Q406 L409 R442 D443 V447 L448 M449 | S398-S445 PolarHBondContact O-OG 3.4Å; S398-S445 VanDerWaalsContact O-OG 3.13Å; Q406-S445 PolarHBondContact NE2-OG 3.12Å; L409-S445 VanDerWaalsContact CD2-CB 3.49Å; L409-S445 WeakPolarHBondContact CD2-OG 3.33Å; R442-S445 WeakPolarHBondContact O-CA 3.25Å; R442-S445 WeakPolarHBondContact O-CB 3.34Å; R442-S445 PolarHBondContact O-N 3.4Å; D443-S445 VanDerWaalsContact C-N 3.28Å; D443-S445 PolarHBondContact O-N 2.97Å; S445-V447 VanDerWaalsContact C-N 3.31Å; S445-V447 PolarHBondContact O-N 3.29Å; S445-L448 PolarHBondContact O-N 2.94Å; S445-L448 VanDerWaalsContact O-N 3.16Å; S445-M449 WeakPolarHBondContact O-CG 3.48Å; S445-M449 PolarHBondContact O-N 3.5Å |
| 446 | R | 94.6 | Very high | 93.8 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 18% | 0.181 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -41 | 175.6 | -70.6 | 177.1 | 174 | 157.8 | -2.8 | 112.1 | L438 H439 A441 R442 D443 L448 M449 C450 L489 | L438-R446 HydrophobicContact CD1-CB 3.88Å; L438-R446 HydrophobicContact CD1-CG 3.98Å; L438-R446 WeakPolarHBondContact O-CG 3.41Å; L438-R446 PolarHBondContact O-NE 2.96Å; H439-R446 PolarHBondContact O-NH2 3.18Å; A441-R446 HydrophobicContact CB-CG 3.98Å; A441-R446 VanDerWaalsContact O-CZ 3.23Å; A441-R446 PolarHBondContact O-NE 3.48Å; A441-R446 PolarHBondContact O-NH2 2.89Å; R442-R446 WeakPolarHBondContact O-CG 3.46Å; R442-R446 PolarHBondContact O-N 2.9Å; D443-R446 PolarHBondContact O-N 3.49Å; D443-R446 IonicContact OD1-CZ 2.67Å; D443-R446 IonicContact OD1-NH1 2.78Å; D443-R446 PolarHBondContact OD1-NH1 3.26Å; R446-L448 PolarHBondContact O-N 2.79Å; R446-M449 PolarHBondContact O-N 2.98Å; R446-C450 WeakPolarHBondContact O-CB 3.45Å; R446-C450 PolarHBondContact O-N 3.2Å; R446-C450 PolarHBondContact O-SG 3.04Å; R446-L489 HydrophobicContact CB-CD1 3.56Å |
| 447 | V | 95.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 174.4 | 166.8 | 0 | 0 | 0 | 0 | 110.8 | D443 P444 S445 M449 C450 H451 E488 L489 | D443-V447 WeakPolarHBondContact O-CG2 3.37Å; D443-V447 PolarHBondContact O-N 3.31Å; P444-V447 PolarHBondContact O-N 3.16Å; S445-V447 VanDerWaalsContact C-N 3.31Å; S445-V447 PolarHBondContact O-N 3.29Å; V447-M449 PolarHBondContact O-N 3.02Å; V447-C450 WeakPolarHBondContact O-CB 3.36Å; V447-C450 PolarHBondContact O-N 2.86Å; V447-H451 PolarHBondContact O-N 3.45Å; V447-H451 PolarHBondContact O-ND1 3.44Å; V447-E488 HydrophobicContact CG1-CG 3.93Å; V447-E488 HydrophobicContact CG2-CB 4.32Å; V447-E488 HydrophobicContact CG2-CG 4.1Å; V447-L489 HydrophobicContact CG2-CB 3.97Å; V447-L489 HydrophobicContact CG2-CD1 4.23Å |
| 448 | L | 96.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 18% | 0.183 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.5 | -65.7 | 178.8 | 0 | 0 | 0 | 112.2 | L409 K410 L413 P444 S445 R446 H451 A452 | L409-L448 HydrophobicContact CB-CD1 4.31Å; L409-L448 HydrophobicContact CD2-CB 4.46Å; L409-L448 HydrophobicContact CD2-CD1 3.98Å; L409-L448 HydrophobicContact CG-CD1 4.03Å; K410-L448 HydrophobicContact CB-CD1 4.27Å; L413-L448 HydrophobicContact CD1-CB 3.7Å; P444-L448 PolarHBondContact O-N 3.37Å; S445-L448 PolarHBondContact O-N 2.94Å; S445-L448 VanDerWaalsContact O-N 3.16Å; R446-L448 PolarHBondContact O-N 2.79Å; L448-H451 PolarHBondContact O-N 2.86Å; L448-A452 PolarHBondContact O-N 2.74Å |
| 449 | M | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 175.6 | -71.3 | 174.7 | 165.8 | 0 | 0 | 112 | S398 L413 L434 Q437 L438 A441 S445 R446 V447 H451 A452 L453 | S398-M449 WeakPolarHBondContact OG-CE 3.41Å; L413-M449 HydrophobicContact CD1-CG 4.28Å; L413-M449 HydrophobicContact CD2-CG 4.48Å; L434-M449 HydrophobicContact CD2-CG 4.43Å; Q437-M449 HydrophobicContact CB-CE 3.71Å; Q437-M449 HydrophobicContact CB-SD 4.24Å; L438-M449 HydrophobicContact CD1-CB 3.58Å; L438-M449 HydrophobicContact CD1-CG 4.45Å; L438-M449 HydrophobicContact CD1-SD 4.07Å; A441-M449 HydrophobicContact CB-CE 4.5Å; A441-M449 HydrophobicContact CB-SD 4.1Å; S445-M449 WeakPolarHBondContact O-CG 3.48Å; S445-M449 PolarHBondContact O-N 3.5Å; R446-M449 PolarHBondContact O-N 2.98Å; V447-M449 PolarHBondContact O-N 3.02Å; M449-H451 VanDerWaalsContact C-N 3.32Å; M449-H451 PolarHBondContact O-N 2.89Å; M449-A452 WeakPolarHBondContact O-CB 3.37Å; M449-A452 PolarHBondContact O-N 3.42Å; M449-A452 VanDerWaalsContact O-N 3.14Å; M449-L453 WeakPolarHBondContact O-CB 3.38Å; M449-L453 WeakPolarHBondContact O-CG 3.48Å; M449-L453 PolarHBondContact O-N 3.45Å |
| 450 | C | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 173.9 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | R446 V447 A452 L453 A454 L493 V496 | R446-C450 WeakPolarHBondContact O-CB 3.45Å; R446-C450 PolarHBondContact O-N 3.2Å; R446-C450 PolarHBondContact O-SG 3.04Å; V447-C450 WeakPolarHBondContact O-CB 3.36Å; V447-C450 PolarHBondContact O-N 2.86Å; C450-A452 VanDerWaalsContact C-N 3.31Å; C450-A452 PolarHBondContact O-N 3.17Å; C450-L453 PolarHBondContact O-N 3.43Å; C450-A454 WeakPolarHBondContact O-CB 3.48Å; C450-A454 PolarHBondContact O-N 2.99Å; C450-L493 VanDerWaalsContact SG-CD2 3.55Å; C450-V496 HydrophobicContact CB-CG2 3.67Å; C450-V496 WeakPolarHBondContact O-CG2 3.45Å |
| 451 | H | 95.8 | Very high | 91.9 | Very high | 95 Ų | 95 | 26.8 Ų | 26.8 | 44% | 0.44 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 174.9 | -66.2 | 148.2 | 0 | 0 | 0 | 112.5 | V447 L448 M449 A455 | V447-H451 PolarHBondContact O-N 3.45Å; V447-H451 PolarHBondContact O-ND1 3.44Å; L448-H451 PolarHBondContact O-N 2.86Å; M449-H451 VanDerWaalsContact C-N 3.32Å; M449-H451 PolarHBondContact O-N 2.89Å; H451-A455 WeakPolarHBondContact O-CB 3.42Å; H451-A455 PolarHBondContact O-N 2.56Å |
| 452 | A | 95.9 | Very high | 91.5 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L413 V417 L448 M449 C450 A454 A455 I456 | L413-A452 HydrophobicContact CB-CB 4.09Å; L413-A452 HydrophobicContact CD1-CB 4.4Å; L413-A452 HydrophobicContact CD2-CB 3.82Å; L413-A452 HydrophobicContact CG-CB 4.32Å; V417-A452 HydrophobicContact CG2-CB 4.03Å; L448-A452 PolarHBondContact O-N 2.74Å; M449-A452 WeakPolarHBondContact O-CB 3.37Å; M449-A452 PolarHBondContact O-N 3.42Å; M449-A452 VanDerWaalsContact O-N 3.14Å; C450-A452 VanDerWaalsContact C-N 3.31Å; C450-A452 PolarHBondContact O-N 3.17Å; A452-A454 PolarHBondContact O-N 3.04Å; A452-A455 WeakPolarHBondContact O-CB 3.45Å; A452-A455 PolarHBondContact O-N 3.09Å; A452-A455 VanDerWaalsContact O-N 3.15Å; A452-I456 WeakPolarHBondContact O-CD1 3.42Å; A452-I456 VanDerWaalsContact O-CG1 3.28Å; A452-I456 WeakPolarHBondContact O-CG1 3.45Å; A452-I456 PolarHBondContact O-N 3.19Å |
| 453 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.2 | -75.1 | -179.5 | 0 | 0 | 0 | 112.1 | V431 L434 L435 L438 M449 C450 A455 I456 A457 M467 L471 V496 | V431-L453 HydrophobicContact CG1-CD2 4.45Å; V431-L453 HydrophobicContact CG2-CD2 4.33Å; L434-L453 HydrophobicContact CB-CD2 3.78Å; L434-L453 HydrophobicContact CB-CG 4.39Å; L434-L453 HydrophobicContact CD1-CD2 3.62Å; L434-L453 HydrophobicContact CD1-CG 4.29Å; L434-L453 HydrophobicContact CG-CD2 4.37Å; L435-L453 HydrophobicContact CD2-CD1 4.1Å; L438-L453 HydrophobicContact CD2-CD1 4.15Å; M449-L453 WeakPolarHBondContact O-CB 3.38Å; M449-L453 WeakPolarHBondContact O-CG 3.48Å; M449-L453 PolarHBondContact O-N 3.45Å; C450-L453 PolarHBondContact O-N 3.43Å; L453-A455 VanDerWaalsContact C-N 3.33Å; L453-A455 PolarHBondContact O-N 3.46Å; L453-I456 PolarHBondContact O-N 3.06Å; L453-A457 VanDerWaalsContact O-CB 3.32Å; L453-A457 WeakPolarHBondContact O-CB 3.39Å; L453-A457 PolarHBondContact O-N 3.36Å; L453-M467 HydrophobicContact CB-CE 3.82Å; L453-M467 HydrophobicContact CD1-CE 3.78Å; L453-M467 HydrophobicContact CD2-CE 3.51Å; L453-M467 HydrophobicContact CG-CE 3.88Å; L453-L471 HydrophobicContact CD1-CD2 4.44Å; L453-V496 HydrophobicContact CB-CG1 3.9Å; L453-V496 HydrophobicContact CB-CG2 4.39Å |
| 454 | A | 93.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C450 A452 T458 V496 V499 | C450-A454 WeakPolarHBondContact O-CB 3.48Å; C450-A454 PolarHBondContact O-N 2.99Å; A452-A454 PolarHBondContact O-N 3.04Å; A454-T458 WeakPolarHBondContact O-CB 3.22Å; A454-T458 PolarHBondContact O-N 3.03Å; A454-T458 PolarHBondContact O-OG1 3.09Å; A454-V496 HydrophobicContact CB-CG2 4.18Å; A454-V499 HydrophobicContact CB-CG2 4.42Å |
| 455 | A | 92 | Very high | 90.3 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.9 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V417 H451 A452 L453 | V417-A455 HydrophobicContact CG1-CB 3.92Å; V417-A455 HydrophobicContact CG2-CB 4.23Å; H451-A455 WeakPolarHBondContact O-CB 3.42Å; H451-A455 PolarHBondContact O-N 2.56Å; A452-A455 WeakPolarHBondContact O-CB 3.45Å; A452-A455 PolarHBondContact O-N 3.09Å; A452-A455 VanDerWaalsContact O-N 3.15Å; L453-A455 VanDerWaalsContact C-N 3.33Å; L453-A455 PolarHBondContact O-N 3.46Å |
| 456 | I | 91.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.9 | -52.3 | 176.7 | -65.6 | 160.8 | 0 | 0 | 0 | 110.4 | V417 L420 V431 L434 A452 L453 T458 Q459 L460 L463 | V417-I456 HydrophobicContact CG2-CD1 4.39Å; V417-I456 HydrophobicContact CG2-CG1 4.09Å; L420-I456 HydrophobicContact CD1-CD1 3.64Å; L420-I456 HydrophobicContact CD1-CG1 3.97Å; L420-I456 HydrophobicContact CD1-CG2 4.32Å; V431-I456 HydrophobicContact CG2-CG2 4Å; L434-I456 HydrophobicContact CD1-CD1 3.96Å; A452-I456 WeakPolarHBondContact O-CD1 3.42Å; A452-I456 VanDerWaalsContact O-CG1 3.28Å; A452-I456 WeakPolarHBondContact O-CG1 3.45Å; A452-I456 PolarHBondContact O-N 3.19Å; L453-I456 PolarHBondContact O-N 3.06Å; I456-T458 VanDerWaalsContact C-N 3.27Å; I456-T458 PolarHBondContact O-N 3.29Å; I456-Q459 PolarHBondContact O-N 2.84Å; I456-L460 PolarHBondContact O-N 3.25Å; I456-L463 HydrophobicContact CG2-CD1 3.89Å |
| 457 | A | 89.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -29.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L453 Q459 L460 V499 | L453-A457 VanDerWaalsContact O-CB 3.32Å; L453-A457 WeakPolarHBondContact O-CB 3.39Å; L453-A457 PolarHBondContact O-N 3.36Å; A457-Q459 VanDerWaalsContact C-N 3.26Å; A457-Q459 PolarHBondContact O-N 3.48Å; A457-L460 CarbonylContact O-C 3.33Å; A457-L460 PolarHBondContact O-N 2.92Å; A457-V499 HydrophobicContact CB-CG1 3.71Å |
| 458 | T | 87.2 | Confident | 89.4 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -35.9 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | A454 I456 E741 R746 | A454-T458 WeakPolarHBondContact O-CB 3.22Å; A454-T458 PolarHBondContact O-N 3.03Å; A454-T458 PolarHBondContact O-OG1 3.09Å; I456-T458 VanDerWaalsContact C-N 3.27Å; I456-T458 PolarHBondContact O-N 3.29Å; T458-E741 WeakPolarHBondContact CG2-O 3.36Å; T458-R746 PolarHBondContact O-NH2 3.04Å |
| 459 | Q | 82.9 | Confident | 89.1 | Confident | 59 Ų | 59 | 37.3 Ų | 37.3 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -83.5 | -36.8 | 179.1 | -63.8 | 172.5 | 14.3 | 0 | 0 | 112 | K421 I456 A457 P461 | K421-Q459 VanDerWaalsContact CG-OE1 3.26Å; I456-Q459 PolarHBondContact O-N 2.84Å; A457-Q459 VanDerWaalsContact C-N 3.26Å; A457-Q459 PolarHBondContact O-N 3.48Å; Q459-P461 WeakPolarHBondContact O-CD 3Å |
| 460 | L | 83.6 | Confident | 88.9 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | trans | -125.7 | 78.9 | -176.1 | -64.1 | 170.1 | 0 | 0 | 0 | 111.3 | P424 S427 I456 A457 V462 L463 | P424-L460 HydrophobicContact CB-CD1 4.21Å; P424-L460 HydrophobicContact CB-CD2 4.17Å; S427-L460 WeakPolarHBondContact OG-CD1 2.91Å; I456-L460 PolarHBondContact O-N 3.25Å; A457-L460 CarbonylContact O-C 3.33Å; A457-L460 PolarHBondContact O-N 2.92Å; L460-V462 PolarHBondContact O-N 3.43Å; L460-V462 VanDerWaalsContact O-N 3.11Å; L460-L463 HydrophobicContact CB-CD1 3.74Å; L460-L463 HydrophobicContact CB-CG 4.15Å; L460-L463 HydrophobicContact CD1-CD1 4.03Å; L460-L463 PolarHBondContact O-N 3.36Å; L460-L463 VanDerWaalsContact O-N 3.16Å | ||
| 461 | P | 81 | Confident | 88.7 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -49.2 | -35.4 | 178.5 | -34.6 | 36.2 | 0 | 0 | 0 | 116.5 | Q459 L463 G464 Q502 E743 | Q459-P461 WeakPolarHBondContact O-CD 3Å; P461-L463 PolarHBondContact O-N 2.96Å; P461-G464 PolarHBondContact O-N 3.37Å; P461-Q502 VanDerWaalsContact CB-OE1 3.27Å; P461-E743 HydrophobicContact CG-CG 4.42Å |
| 462 | V | 82.8 | Confident | 88.5 | Confident | 128 Ų | 128 | 36.4 Ų | 36.4 | 78% | 0.776 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -58.7 | -20.5 | -175.6 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | L460 | L460-V462 PolarHBondContact O-N 3.43Å; L460-V462 VanDerWaalsContact O-N 3.11Å |
| 463 | L | 86.3 | Confident | 88.3 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -82.7 | -22.3 | 177 | -56.1 | 174.3 | 0 | 0 | 0 | 112.5 | Q428 V431 I456 L460 P461 G466 M467 | Q428-L463 HydrophobicContact CB-CD2 4.3Å; V431-L463 HydrophobicContact CG2-CD1 4.04Å; I456-L463 HydrophobicContact CG2-CD1 3.89Å; L460-L463 HydrophobicContact CB-CD1 3.74Å; L460-L463 HydrophobicContact CB-CG 4.15Å; L460-L463 HydrophobicContact CD1-CD1 4.03Å; L460-L463 PolarHBondContact O-N 3.36Å; L460-L463 VanDerWaalsContact O-N 3.16Å; P461-L463 PolarHBondContact O-N 2.96Å; L463-G466 PolarHBondContact O-N 2.91Å; L463-M467 HydrophobicContact CB-SD 4.46Å; L463-M467 VanDerWaalsContact O-CG 3.22Å; L463-M467 WeakPolarHBondContact O-CG 3.28Å; L463-M467 PolarHBondContact O-N 2.92Å |
| 464 | G | 83.8 | Confident | 88 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P461 G466 M467 L468 A500 | P461-G464 PolarHBondContact O-N 3.37Å; G464-G466 VanDerWaalsContact C-N 3.3Å; G464-G466 PolarHBondContact O-N 3.37Å; G464-M467 PolarHBondContact O-N 2.96Å; G464-M467 VanDerWaalsContact O-N 3.12Å; G464-L468 PolarHBondContact O-N 3.24Å; G464-A500 WeakPolarHBondContact O-CB 3.44Å |
| 465 | E | 81.4 | Confident | 88 | Confident | 160 Ų | 160 | 39.7 Ų | 39.7 | 75% | 0.748 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.8 | -39.6 | -177.9 | -67.1 | -170.6 | 167.9 | 0 | 0 | 112.3 | M467 L468 | E465-M467 VanDerWaalsContact C-N 3.25Å; E465-M467 PolarHBondContact O-N 3.2Å; E465-L468 PolarHBondContact O-N 3.45Å |
| 466 | G | 85.1 | Confident | 87.9 | Confident | 65 Ų | 65 | 42 Ų | 42 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67 | -23.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | L463 G464 | L463-G466 PolarHBondContact O-N 2.91Å; G464-G466 VanDerWaalsContact C-N 3.3Å; G464-G466 PolarHBondContact O-N 3.37Å |
| 467 | M | 90.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -90.3 | -16.7 | -178.3 | -58.8 | 166.9 | 59.8 | 0 | 0 | 113.5 | V431 L435 L453 L463 G464 E465 G469 D470 L471 V496 | V431-M467 HydrophobicContact CG1-CE 4.09Å; V431-M467 HydrophobicContact CG1-CG 3.43Å; V431-M467 VanDerWaalsContact CG1-CG 3.43Å; V431-M467 HydrophobicContact CG1-SD 3.47Å; V431-M467 WeakPolarHBondContact CG1-SD 3.45Å; V431-M467 HydrophobicContact CG2-SD 4.44Å; L435-M467 HydrophobicContact CD1-CB 4.18Å; L435-M467 HydrophobicContact CD1-CG 3.93Å; L435-M467 HydrophobicContact CD2-CB 4.34Å; L435-M467 HydrophobicContact CD2-CE 4.26Å; L453-M467 HydrophobicContact CB-CE 3.82Å; L453-M467 HydrophobicContact CD1-CE 3.78Å; L453-M467 HydrophobicContact CD2-CE 3.51Å; L453-M467 HydrophobicContact CG-CE 3.88Å; L463-M467 HydrophobicContact CB-SD 4.46Å; L463-M467 VanDerWaalsContact O-CG 3.22Å; L463-M467 WeakPolarHBondContact O-CG 3.28Å; L463-M467 PolarHBondContact O-N 2.92Å; G464-M467 PolarHBondContact O-N 2.96Å; G464-M467 VanDerWaalsContact O-N 3.12Å; E465-M467 VanDerWaalsContact C-N 3.25Å; E465-M467 PolarHBondContact O-N 3.2Å; M467-G469 PolarHBondContact O-N 3.02Å; M467-D470 PolarHBondContact O-N 3.21Å; M467-L471 HydrophobicContact CB-CD1 4.03Å; M467-L471 HydrophobicContact CB-CG 4.46Å; M467-L471 HydrophobicContact CE-CD1 4.33Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.5Å; M467-L471 PolarHBondContact O-N 3Å; M467-L471 VanDerWaalsContact O-N 3.13Å; M467-V496 HydrophobicContact CE-CG1 4.19Å |
| 468 | L | 88.9 | Confident | 87.4 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | -164.5 | -173 | 61.4 | 0 | 0 | 0 | 112.8 | G464 E465 L471 V472 V497 A500 | G464-L468 PolarHBondContact O-N 3.24Å; E465-L468 PolarHBondContact O-N 3.45Å; L468-L471 PolarHBondContact O-N 3.44Å; L468-V472 HydrophobicContact CD1-CG2 4.28Å; L468-V472 HydrophobicContact CG-CG2 4.46Å; L468-V472 WeakPolarHBondContact O-CG2 3.48Å; L468-V472 PolarHBondContact O-N 2.9Å; L468-V497 HydrophobicContact CD1-CG1 3.92Å; L468-A500 HydrophobicContact CD1-CB 4.44Å |
| 469 | G | 89.9 | Confident | 86.8 | Confident | 46 Ų | 46 | 45 Ų | 45 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59 | -55.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M467 L471 V472 D473 | M467-G469 PolarHBondContact O-N 3.02Å; G469-L471 VanDerWaalsContact C-N 3.31Å; G469-L471 PolarHBondContact O-N 3.19Å; G469-V472 PolarHBondContact O-N 3.44Å; G469-V472 VanDerWaalsContact O-N 3.15Å; G469-D473 PolarHBondContact O-N 3.29Å |
| 470 | D | 91.6 | Very high | 86.7 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 179.7 | -70.9 | -41.9 | 0 | 0 | 0 | 112.4 | L435 M467 V472 D473 L474 | L435-D470 HydrophobicContact CD1-CB 4.47Å; L435-D470 HydrophobicContact CD2-CB 4.14Å; M467-D470 PolarHBondContact O-N 3.21Å; D470-V472 PolarHBondContact O-N 2.81Å; D470-D473 PolarHBondContact O-N 3.5Å; D470-L474 WeakPolarHBondContact O-CB 3.41Å; D470-L474 WeakPolarHBondContact O-CG 3.41Å; D470-L474 PolarHBondContact O-N 2.94Å |
| 471 | L | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 178.3 | -69.3 | 172.1 | 0 | 0 | 0 | 112.3 | L435 L438 L453 M467 L468 G469 Y475 L493 V496 V497 A500 | L435-L471 HydrophobicContact CD2-CD2 4.35Å; L435-L471 HydrophobicContact CD2-CG 4.46Å; L438-L471 HydrophobicContact CD2-CD2 4.13Å; L453-L471 HydrophobicContact CD1-CD2 4.44Å; M467-L471 HydrophobicContact CB-CD1 4.03Å; M467-L471 HydrophobicContact CB-CG 4.46Å; M467-L471 HydrophobicContact CE-CD1 4.33Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.5Å; M467-L471 PolarHBondContact O-N 3Å; M467-L471 VanDerWaalsContact O-N 3.13Å; L468-L471 PolarHBondContact O-N 3.44Å; G469-L471 VanDerWaalsContact C-N 3.31Å; G469-L471 PolarHBondContact O-N 3.19Å; L471-Y475 WeakPolarHBondContact O-CB 3.35Å; L471-Y475 PolarHBondContact O-N 3.25Å; L471-L493 HydrophobicContact CD2-CD2 4.41Å; L471-V496 HydrophobicContact CD1-CB 4.05Å; L471-V496 HydrophobicContact CD1-CG1 3.52Å; L471-V496 HydrophobicContact CD2-CB 4.27Å; L471-V496 HydrophobicContact CD2-CG1 4.09Å; L471-V496 HydrophobicContact CG-CG1 4.47Å; L471-V497 HydrophobicContact CB-CG2 3.79Å; L471-V497 HydrophobicContact CD1-CG2 4.42Å; L471-A500 HydrophobicContact CD1-CB 4.35Å |
| 472 | V | 91.6 | Very high | 86.3 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 177.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | L468 G469 D470 Y475 R476 V509 V512 | L468-V472 HydrophobicContact CD1-CG2 4.28Å; L468-V472 HydrophobicContact CG-CG2 4.46Å; L468-V472 WeakPolarHBondContact O-CG2 3.48Å; L468-V472 PolarHBondContact O-N 2.9Å; G469-V472 PolarHBondContact O-N 3.44Å; G469-V472 VanDerWaalsContact O-N 3.15Å; D470-V472 PolarHBondContact O-N 2.81Å; V472-Y475 WeakPolarHBondContact O-CB 3.34Å; V472-Y475 PolarHBondContact O-N 3.38Å; V472-R476 WeakPolarHBondContact O-CG 3.32Å; V472-R476 PolarHBondContact O-N 3.39Å; V472-V509 HydrophobicContact CG2-CB 4.5Å; V472-V509 HydrophobicContact CG2-CG1 4.07Å; V472-V509 HydrophobicContact CG2-CG2 3.74Å; V472-V512 HydrophobicContact CG1-CB 4.47Å; V472-V512 HydrophobicContact CG1-CG1 4.19Å; V472-V512 HydrophobicContact CG1-CG2 4.32Å |
| 473 | D | 91.1 | Very high | 86.3 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.2 | -76.4 | -23.2 | 0 | 0 | 0 | 111.9 | G469 D470 Y475 R476 V477 | G469-D473 PolarHBondContact O-N 3.29Å; D470-D473 PolarHBondContact O-N 3.5Å; D473-Y475 VanDerWaalsContact C-N 3.32Å; D473-Y475 PolarHBondContact O-N 2.94Å; D473-R476 WeakPolarHBondContact O-CB 3.32Å; D473-R476 PolarHBondContact O-N 3.02Å; D473-R476 IonicContact OD1-CZ 2.75Å; D473-R476 IonicContact OD1-NH1 2.8Å; D473-R476 PolarHBondContact OD1-NH1 2.97Å; D473-V477 PolarHBondContact O-N 3.05Å |
| 474 | L | 91.2 | Very high | 86.2 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 173 | -76.4 | 169.1 | 0 | 0 | 0 | 112.7 | L438 D470 R476 V477 A478 L493 | L438-L474 HydrophobicContact CB-CD1 3.91Å; L438-L474 HydrophobicContact CD2-CD1 3.32Å; L438-L474 HydrophobicContact CG-CD1 3.57Å; D470-L474 WeakPolarHBondContact O-CB 3.41Å; D470-L474 WeakPolarHBondContact O-CG 3.41Å; D470-L474 PolarHBondContact O-N 2.94Å; L474-R476 VanDerWaalsContact C-N 3.3Å; L474-R476 PolarHBondContact O-N 2.88Å; L474-V477 PolarHBondContact O-N 3.13Å; L474-A478 WeakPolarHBondContact O-CB 3.29Å; L474-A478 PolarHBondContact O-N 3.12Å; L474-L493 HydrophobicContact CB-CD2 4.25Å |
| 475 | Y | 91.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.4 | -158.3 | -83.4 | 0 | 0 | 0 | 112 | L471 V472 D473 V477 A478 L490 L493 A494 V512 I513 Q516 L517 | L471-Y475 WeakPolarHBondContact O-CB 3.35Å; L471-Y475 PolarHBondContact O-N 3.25Å; V472-Y475 WeakPolarHBondContact O-CB 3.34Å; V472-Y475 PolarHBondContact O-N 3.38Å; D473-Y475 VanDerWaalsContact C-N 3.32Å; D473-Y475 PolarHBondContact O-N 2.94Å; Y475-V477 VanDerWaalsContact C-N 3.29Å; Y475-V477 PolarHBondContact O-N 3.48Å; Y475-A478 PolarHBondContact O-N 3.17Å; Y475-L490 HydrophobicContact CE1-CD2 4.26Å; Y475-L490 HydrophobicContact CE2-CD2 4.18Å; Y475-L490 WeakPolarHBondContact CE2-O 3.3Å; Y475-L493 HydrophobicContact CD2-CB 3.63Å; Y475-L493 HydrophobicContact CD2-CD1 4.33Å; Y475-L493 HydrophobicContact CE2-CB 4.13Å; Y475-A494 HydrophobicContact CE2-CB 3.9Å; Y475-V512 HydrophobicContact CD1-CG1 4.34Å; Y475-I513 HydrophobicContact CD1-CG1 4.14Å; Y475-I513 HydrophobicContact CE1-CB 4.07Å; Y475-I513 HydrophobicContact CE1-CG1 3.97Å; Y475-I513 HydrophobicContact CE1-CG2 4.05Å; Y475-I513 HydrophobicContact CG-CG1 4.49Å; Y475-Q516 HydrophobicContact CD1-CB 4.29Å; Y475-Q516 HydrophobicContact CD1-CG 4.05Å; Y475-Q516 HydrophobicContact CE1-CB 3.83Å; Y475-Q516 HydrophobicContact CE1-CG 4.1Å; Y475-L517 WeakPolarHBondContact OH-CD2 3.43Å |
| 476 | R | 89.8 | Confident | 86.9 | Confident | 84 Ų | 84 | 52 Ų | 52 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 175.5 | -69 | 170.1 | 179.4 | 154.2 | -3.9 | 111.6 | V472 D473 L474 S479 E508 V512 | V472-R476 WeakPolarHBondContact O-CG 3.32Å; V472-R476 PolarHBondContact O-N 3.39Å; D473-R476 WeakPolarHBondContact O-CB 3.32Å; D473-R476 PolarHBondContact O-N 3.02Å; D473-R476 IonicContact OD1-CZ 2.75Å; D473-R476 IonicContact OD1-NH1 2.8Å; D473-R476 PolarHBondContact OD1-NH1 2.97Å; L474-R476 VanDerWaalsContact C-N 3.3Å; L474-R476 PolarHBondContact O-N 2.88Å; R476-S479 PolarHBondContact O-OG 2.75Å; R476-E508 IonicContact NH2-OE1 2.8Å; R476-E508 PolarHBondContact NH2-OE1 3.25Å; R476-V512 HydrophobicContact CG-CG1 3.56Å; R476-V512 HydrophobicContact CG-CG2 4.46Å |
| 477 | V | 87.4 | Confident | 87.3 | Confident | 89 Ų | 89 | 51 Ų | 51 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -85.2 | -25.4 | -175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | D473 L474 Y475 S479 H480 | D473-V477 PolarHBondContact O-N 3.05Å; L474-V477 PolarHBondContact O-N 3.13Å; Y475-V477 VanDerWaalsContact C-N 3.29Å; Y475-V477 PolarHBondContact O-N 3.48Å; V477-S479 PolarHBondContact O-N 2.87Å; V477-S479 VanDerWaalsContact O-N 3.15Å; V477-H480 WeakPolarHBondContact O-CB 3.41Å; V477-H480 PolarHBondContact O-N 3.5Å |
| 478 | A | 85 | Confident | 87.5 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.9 | -24.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L474 Y475 H480 S481 Q486 L489 L490 L493 | L474-A478 WeakPolarHBondContact O-CB 3.29Å; L474-A478 PolarHBondContact O-N 3.12Å; Y475-A478 PolarHBondContact O-N 3.17Å; A478-H480 VanDerWaalsContact C-N 3.26Å; A478-H480 PolarHBondContact O-N 3.25Å; A478-S481 WeakPolarHBondContact O-CB 3.43Å; A478-S481 PolarHBondContact O-N 3.1Å; A478-Q486 PolarHBondContact O-NE2 3.49Å; A478-L489 HydrophobicContact CB-CD2 4.17Å; A478-L490 HydrophobicContact CB-CD2 4.12Å; A478-L493 HydrophobicContact CB-CD1 3.71Å |
| 479 | S | 74.5 | Confident | 87.8 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.8 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | R476 V477 S481 Q486 Q516 | R476-S479 PolarHBondContact O-OG 2.75Å; V477-S479 PolarHBondContact O-N 2.87Å; V477-S479 VanDerWaalsContact O-N 3.15Å; S479-S481 VanDerWaalsContact C-N 3.29Å; S479-Q486 VanDerWaalsContact C-NE2 3.34Å; S479-Q486 PolarHBondContact O-NE2 3.48Å; S479-Q516 PolarHBondContact OG-OE1 3.47Å |
| 480 | H | 80.8 | Confident | 88 | Confident | 154 Ų | 154 | 50.7 Ų | 50.7 | 71% | 0.713 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.3 | 176.5 | -62 | -50.4 | 0 | 0 | 0 | 113.2 | V477 A478 | V477-H480 WeakPolarHBondContact O-CB 3.41Å; V477-H480 PolarHBondContact O-N 3.5Å; A478-H480 VanDerWaalsContact C-N 3.26Å; A478-H480 PolarHBondContact O-N 3.25Å |
| 481 | S | 79 | Confident | 88.2 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | trans | -68.7 | 138.5 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | D443 A478 S479 T483 Q486 | D443-S481 VanDerWaalsContact OD2-CB 3.31Å; D443-S481 WeakPolarHBondContact OD2-CB 3.37Å; D443-S481 PolarHBondContact OD2-OG 3.1Å; A478-S481 WeakPolarHBondContact O-CB 3.43Å; A478-S481 PolarHBondContact O-N 3.1Å; S479-S481 VanDerWaalsContact C-N 3.29Å; S481-T483 WeakPolarHBondContact OG-CG2 3.43Å; S481-T483 PolarHBondContact OG-N 2.7Å; S481-T483 PolarHBondContact OG-OG1 3.15Å; S481-Q486 PolarHBondContact O-NE2 3.47Å; S481-Q486 PolarHBondContact O-OE1 3.36Å | ||
| 482 | S | 76 | Confident | 88.4 | Confident | 122 Ų | 122 | 49.1 Ų | 49.1 | 85% | 0.853 | 26% | 0.262 | S | S | * | . | trans | -109.6 | 19.8 | 172.9 | 57 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 483 | T | 83.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -76.2 | 155.7 | -179.2 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | D443 S481 K485 Q486 | D443-T483 VanDerWaalsContact OD2-CG2 3.24Å; D443-T483 WeakPolarHBondContact OD2-CG2 3.09Å; D443-T483 PolarHBondContact OD2-OG1 2.93Å; S481-T483 WeakPolarHBondContact OG-CG2 3.43Å; S481-T483 PolarHBondContact OG-N 2.7Å; S481-T483 PolarHBondContact OG-OG1 3.15Å; T483-K485 PolarHBondContact O-N 2.93Å; T483-K485 VanDerWaalsContact O-N 3.16Å; T483-K485 PolarHBondContact OG1-N 2.97Å; T483-Q486 WeakPolarHBondContact O-CB 3.17Å; T483-Q486 PolarHBondContact O-N 3.37Å; T483-Q486 VanDerWaalsContact O-N 3.15Å; T483-Q486 PolarHBondContact OG1-N 3.39Å |
| 484 | D | 84.1 | Confident | 88.7 | Confident | 147 Ų | 147 | 45.2 Ų | 45.2 | 79% | 0.786 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.4 | 170.5 | 65.1 | -34.1 | 0 | 0 | 0 | 112.8 | ||
| 485 | K | 88.4 | Confident | 88.9 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -4.4 | 177.4 | -67.1 | -51.5 | -164.2 | 168.7 | 0 | 115.4 | D443 P444 T483 Q487 E488 L489 | D443-K485 HydrophobicContact CB-CB 4.18Å; P444-K485 HydrophobicContact CB-CG 4.42Å; P444-K485 HydrophobicContact CG-CG 3.98Å; T483-K485 PolarHBondContact O-N 2.93Å; T483-K485 VanDerWaalsContact O-N 3.16Å; T483-K485 PolarHBondContact OG1-N 2.97Å; K485-Q487 VanDerWaalsContact C-N 3.3Å; K485-Q487 PolarHBondContact O-N 3.37Å; K485-E488 WeakPolarHBondContact CD-OE2 3.38Å; K485-E488 IonicContact NZ-OE2 3.17Å; K485-E488 PolarHBondContact NZ-OE2 3.39Å; K485-E488 PolarHBondContact O-N 3.49Å; K485-E488 VanDerWaalsContact O-N 3.13Å; K485-L489 WeakPolarHBondContact O-CB 3.47Å; K485-L489 PolarHBondContact O-N 2.96Å |
| 486 | Q | 91.8 | Very high | 89 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.1 | -45.7 | -177 | -176.2 | -174.3 | 37 | 0 | 0 | 113.1 | A478 S479 S481 T483 E488 L489 L490 | A478-Q486 PolarHBondContact O-NE2 3.49Å; S479-Q486 VanDerWaalsContact C-NE2 3.34Å; S479-Q486 PolarHBondContact O-NE2 3.48Å; S481-Q486 PolarHBondContact O-NE2 3.47Å; S481-Q486 PolarHBondContact O-OE1 3.36Å; T483-Q486 WeakPolarHBondContact O-CB 3.17Å; T483-Q486 PolarHBondContact O-N 3.37Å; T483-Q486 VanDerWaalsContact O-N 3.15Å; T483-Q486 PolarHBondContact OG1-N 3.39Å; Q486-E488 PolarHBondContact O-N 3.07Å; Q486-L489 WeakPolarHBondContact O-CB 3.37Å; Q486-L489 PolarHBondContact O-N 3.21Å; Q486-L490 HydrophobicContact CG-CD1 4.44Å; Q486-L490 WeakPolarHBondContact O-CG 3.32Å; Q486-L490 PolarHBondContact O-N 2.8Å |
| 487 | Q | 93.8 | Very high | 89.2 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | -177.9 | -59.5 | -62.1 | -53.7 | 0 | 0 | 111.8 | K485 L490 V491 V520 N522 T525 | K485-Q487 VanDerWaalsContact C-N 3.3Å; K485-Q487 PolarHBondContact O-N 3.37Å; Q487-L490 PolarHBondContact O-N 2.8Å; Q487-V491 WeakPolarHBondContact O-CG2 3.37Å; Q487-V491 PolarHBondContact O-N 3.19Å; Q487-V520 PolarHBondContact NE2-O 3.45Å; Q487-N522 VanDerWaalsContact OE1-N 3.13Å; Q487-T525 WeakPolarHBondContact CB-OG1 3.49Å; Q487-T525 PolarHBondContact OE1-OG1 2.9Å |
| 488 | E | 94.7 | Very high | 89.4 | Confident | 83 Ų | 83 | 37.1 Ų | 37.1 | 39% | 0.388 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 176.2 | -170.1 | 175.2 | -173.8 | 0 | 0 | 111.3 | V447 K485 Q486 V491 S492 | V447-E488 HydrophobicContact CG1-CG 3.93Å; V447-E488 HydrophobicContact CG2-CB 4.32Å; V447-E488 HydrophobicContact CG2-CG 4.1Å; K485-E488 WeakPolarHBondContact CD-OE2 3.38Å; K485-E488 IonicContact NZ-OE2 3.17Å; K485-E488 PolarHBondContact NZ-OE2 3.39Å; K485-E488 PolarHBondContact O-N 3.49Å; K485-E488 VanDerWaalsContact O-N 3.13Å; Q486-E488 PolarHBondContact O-N 3.07Å; E488-V491 PolarHBondContact O-N 2.58Å; E488-S492 WeakPolarHBondContact O-CB 3.19Å; E488-S492 PolarHBondContact O-N 3.35Å; E488-S492 PolarHBondContact O-OG 3.08Å |
| 489 | L | 94.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.1 | 179.1 | 60.7 | 0 | 0 | 0 | 112.1 | D443 R446 V447 A478 K485 Q486 V491 S492 L493 | D443-L489 HydrophobicContact CB-CD2 4.02Å; D443-L489 WeakPolarHBondContact OD1-CD2 3.48Å; R446-L489 HydrophobicContact CB-CD1 3.56Å; V447-L489 HydrophobicContact CG2-CB 3.97Å; V447-L489 HydrophobicContact CG2-CD1 4.23Å; A478-L489 HydrophobicContact CB-CD2 4.17Å; K485-L489 WeakPolarHBondContact O-CB 3.47Å; K485-L489 PolarHBondContact O-N 2.96Å; Q486-L489 WeakPolarHBondContact O-CB 3.37Å; Q486-L489 PolarHBondContact O-N 3.21Å; L489-V491 VanDerWaalsContact C-N 3.33Å; L489-V491 PolarHBondContact O-N 3.34Å; L489-S492 PolarHBondContact O-N 2.93Å; L489-S492 VanDerWaalsContact O-N 3.14Å; L489-L493 HydrophobicContact CD1-CD1 3.9Å; L489-L493 HydrophobicContact CD1-CG 3.94Å; L489-L493 HydrophobicContact CG-CD1 3.87Å; L489-L493 HydrophobicContact CG-CG 4.37Å; L489-L493 PolarHBondContact O-N 2.84Å |
| 490 | L | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 176.1 | -70.2 | 173.8 | 0 | 0 | 0 | 111.4 | Y475 A478 Q486 Q487 S492 A494 A521 T525 | Y475-L490 HydrophobicContact CE1-CD2 4.26Å; Y475-L490 HydrophobicContact CE2-CD2 4.18Å; Y475-L490 WeakPolarHBondContact CE2-O 3.3Å; A478-L490 HydrophobicContact CB-CD2 4.12Å; Q486-L490 HydrophobicContact CG-CD1 4.44Å; Q486-L490 WeakPolarHBondContact O-CG 3.32Å; Q486-L490 PolarHBondContact O-N 2.8Å; Q487-L490 PolarHBondContact O-N 2.8Å; L490-S492 VanDerWaalsContact C-N 3.32Å; L490-S492 PolarHBondContact O-N 3.23Å; L490-A494 VanDerWaalsContact O-CB 3.3Å; L490-A494 WeakPolarHBondContact O-CB 3.22Å; L490-A494 PolarHBondContact O-N 3.03Å; L490-A521 HydrophobicContact CD1-CB 4.46Å; L490-T525 HydrophobicContact CB-CG2 4.21Å; L490-T525 HydrophobicContact CD1-CG2 4.46Å |
| 491 | V | 95.8 | Very high | 90.5 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 16% | 0.158 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | Q487 E488 L489 T495 T525 C528 I529 | Q487-V491 WeakPolarHBondContact O-CG2 3.37Å; Q487-V491 PolarHBondContact O-N 3.19Å; E488-V491 PolarHBondContact O-N 2.58Å; L489-V491 VanDerWaalsContact C-N 3.33Å; L489-V491 PolarHBondContact O-N 3.34Å; V491-T495 WeakPolarHBondContact O-CB 3.28Å; V491-T495 PolarHBondContact O-N 3.45Å; V491-T495 PolarHBondContact O-OG1 3.33Å; V491-T525 HydrophobicContact CG2-CG2 3.98Å; V491-C528 HydrophobicContact CG1-CB 4.09Å; V491-C528 HydrophobicContact CG2-CB 3.83Å; V491-I529 HydrophobicContact CB-CG1 4.48Å; V491-I529 HydrophobicContact CG2-CG1 4.14Å |
| 492 | S | 96.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -48.9 | -176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | E488 L489 L490 T495 V496 | E488-S492 WeakPolarHBondContact O-CB 3.19Å; E488-S492 PolarHBondContact O-N 3.35Å; E488-S492 PolarHBondContact O-OG 3.08Å; L489-S492 PolarHBondContact O-N 2.93Å; L489-S492 VanDerWaalsContact O-N 3.14Å; L490-S492 VanDerWaalsContact C-N 3.32Å; L490-S492 PolarHBondContact O-N 3.23Å; S492-T495 WeakPolarHBondContact O-CB 3.44Å; S492-T495 PolarHBondContact O-N 3.29Å; S492-V496 WeakPolarHBondContact O-CG2 3.27Å; S492-V496 PolarHBondContact O-N 3.47Å |
| 493 | L | 95.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 177.4 | -73.2 | 166.4 | 0 | 0 | 0 | 111.6 | L438 C450 L471 L474 Y475 A478 L489 T495 V496 V497 | L438-L493 HydrophobicContact CD2-CD2 4.34Å; C450-L493 VanDerWaalsContact SG-CD2 3.55Å; L471-L493 HydrophobicContact CD2-CD2 4.41Å; L474-L493 HydrophobicContact CB-CD2 4.25Å; Y475-L493 HydrophobicContact CD2-CB 3.63Å; Y475-L493 HydrophobicContact CD2-CD1 4.33Å; Y475-L493 HydrophobicContact CE2-CB 4.13Å; A478-L493 HydrophobicContact CB-CD1 3.71Å; L489-L493 HydrophobicContact CD1-CD1 3.9Å; L489-L493 HydrophobicContact CD1-CG 3.94Å; L489-L493 HydrophobicContact CG-CD1 3.87Å; L489-L493 HydrophobicContact CG-CG 4.37Å; L489-L493 PolarHBondContact O-N 2.84Å; L493-T495 PolarHBondContact O-N 2.9Å; L493-V496 PolarHBondContact O-N 2.93Å; L493-V496 VanDerWaalsContact O-N 3.17Å; L493-V497 WeakPolarHBondContact O-CG2 3.23Å; L493-V497 PolarHBondContact O-N 2.92Å |
| 494 | A | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y475 L490 V497 F498 I529 | Y475-A494 HydrophobicContact CE2-CB 3.9Å; L490-A494 VanDerWaalsContact O-CB 3.3Å; L490-A494 WeakPolarHBondContact O-CB 3.22Å; L490-A494 PolarHBondContact O-N 3.03Å; A494-V497 PolarHBondContact O-N 3.27Å; A494-F498 HydrophobicContact CB-CE2 4.06Å; A494-F498 HydrophobicContact CB-CZ 4.21Å; A494-F498 WeakPolarHBondContact O-CD2 3.37Å; A494-F498 WeakPolarHBondContact O-CG 3.21Å; A494-F498 PolarHBondContact O-N 3.3Å; A494-I529 HydrophobicContact CB-CD1 4.07Å; A494-I529 HydrophobicContact CB-CG1 3.91Å; A494-I529 HydrophobicContact CB-CG2 3.91Å |
| 495 | T | 94.3 | Very high | 88.4 | Confident | 15 Ų | 15 | 23.6 Ų | 23.6 | 9% | 0.092 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | V491 S492 L493 V497 F498 V499 Q532 | V491-T495 WeakPolarHBondContact O-CB 3.28Å; V491-T495 PolarHBondContact O-N 3.45Å; V491-T495 PolarHBondContact O-OG1 3.33Å; S492-T495 WeakPolarHBondContact O-CB 3.44Å; S492-T495 PolarHBondContact O-N 3.29Å; L493-T495 PolarHBondContact O-N 2.9Å; T495-V497 VanDerWaalsContact C-N 3.34Å; T495-V497 PolarHBondContact O-N 3.36Å; T495-F498 PolarHBondContact O-N 2.88Å; T495-V499 VanDerWaalsContact O-CG2 3.31Å; T495-V499 WeakPolarHBondContact O-CG2 3.5Å; T495-V499 PolarHBondContact O-N 3.13Å; T495-Q532 HydrophobicContact CG2-CG 4.46Å; T495-Q532 WeakPolarHBondContact OG1-CG 3.33Å |
| 496 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.1 | -166.7 | 0 | 0 | 0 | 0 | 111 | C450 L453 A454 M467 L471 S492 L493 F498 V499 A500 | C450-V496 HydrophobicContact CB-CG2 3.67Å; C450-V496 WeakPolarHBondContact O-CG2 3.45Å; L453-V496 HydrophobicContact CB-CG1 3.9Å; L453-V496 HydrophobicContact CB-CG2 4.39Å; A454-V496 HydrophobicContact CB-CG2 4.18Å; M467-V496 HydrophobicContact CE-CG1 4.19Å; L471-V496 HydrophobicContact CD1-CB 4.05Å; L471-V496 HydrophobicContact CD1-CG1 3.52Å; L471-V496 HydrophobicContact CD2-CB 4.27Å; L471-V496 HydrophobicContact CD2-CG1 4.09Å; L471-V496 HydrophobicContact CG-CG1 4.47Å; S492-V496 WeakPolarHBondContact O-CG2 3.27Å; S492-V496 PolarHBondContact O-N 3.47Å; L493-V496 PolarHBondContact O-N 2.93Å; L493-V496 VanDerWaalsContact O-N 3.17Å; V496-F498 VanDerWaalsContact C-N 3.32Å; V496-F498 PolarHBondContact O-N 3.09Å; V496-V499 PolarHBondContact O-N 3.3Å; V496-V499 VanDerWaalsContact O-N 3.13Å; V496-A500 VanDerWaalsContact O-CB 3.31Å; V496-A500 WeakPolarHBondContact O-CB 3.47Å; V496-A500 PolarHBondContact O-N 3.22Å |
| 497 | V | 94.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 176.4 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | L468 L471 L493 A494 T495 A500 S501 L505 V509 I513 | L468-V497 HydrophobicContact CD1-CG1 3.92Å; L471-V497 HydrophobicContact CB-CG2 3.79Å; L471-V497 HydrophobicContact CD1-CG2 4.42Å; L493-V497 WeakPolarHBondContact O-CG2 3.23Å; L493-V497 PolarHBondContact O-N 2.92Å; A494-V497 PolarHBondContact O-N 3.27Å; T495-V497 VanDerWaalsContact C-N 3.34Å; T495-V497 PolarHBondContact O-N 3.36Å; V497-A500 PolarHBondContact O-N 2.54Å; V497-S501 VanDerWaalsContact O-CB 3.31Å; V497-S501 WeakPolarHBondContact O-CB 3.22Å; V497-S501 PolarHBondContact O-N 3.18Å; V497-L505 HydrophobicContact CG1-CD2 3.83Å; V497-V509 HydrophobicContact CG1-CG1 3.82Å; V497-I513 HydrophobicContact CG1-CD1 4.19Å |
| 498 | F | 92.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -31.6 | 176.7 | -57.3 | -32.7 | 0 | 0 | 0 | 113.2 | A494 T495 V496 L505 I513 I529 Q532 A533 M536 F541 | A494-F498 HydrophobicContact CB-CE2 4.06Å; A494-F498 HydrophobicContact CB-CZ 4.21Å; A494-F498 WeakPolarHBondContact O-CD2 3.37Å; A494-F498 WeakPolarHBondContact O-CG 3.21Å; A494-F498 PolarHBondContact O-N 3.3Å; T495-F498 PolarHBondContact O-N 2.88Å; V496-F498 VanDerWaalsContact C-N 3.32Å; V496-F498 PolarHBondContact O-N 3.09Å; F498-L505 HydrophobicContact CD1-CD1 3.64Å; F498-L505 HydrophobicContact CD1-CD2 4.05Å; F498-L505 HydrophobicContact CD1-CG 4.32Å; F498-L505 HydrophobicContact CE1-CD1 3.48Å; F498-L505 VanDerWaalsContact CE1-CD1 3.48Å; F498-L505 HydrophobicContact CE1-CD2 4.32Å; F498-I513 HydrophobicContact CE1-CD1 4.1Å; F498-I529 HydrophobicContact CE2-CG2 3.76Å; F498-I529 WeakPolarHBondContact CE2-O 3.46Å; F498-I529 HydrophobicContact CZ-CG2 3.72Å; F498-Q532 HydrophobicContact CD2-CB 3.9Å; F498-Q532 HydrophobicContact CE2-CB 4.14Å; F498-A533 HydrophobicContact CD2-CB 4.1Å; F498-A533 HydrophobicContact CE1-CB 4.36Å; F498-A533 HydrophobicContact CE2-CB 3.72Å; F498-A533 HydrophobicContact CZ-CB 3.87Å; F498-M536 HydrophobicContact CB-CB 3.89Å; F498-M536 HydrophobicContact CB-CG 3.76Å; F498-F541 AromaticContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CE1 4.11Å; F498-F541 AromaticContact CZ-CD1 3.91Å; F498-F541 HydrophobicContact CZ-CD1 3.91Å; F498-F541 AromaticContact CZ-CE1 3.9Å; F498-F541 HydrophobicContact CZ-CE1 3.9Å |
| 499 | V | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.3 | -37.1 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 111 | A454 A457 T495 V496 Q502 M536 | A454-V499 HydrophobicContact CB-CG2 4.42Å; A457-V499 HydrophobicContact CB-CG1 3.71Å; T495-V499 VanDerWaalsContact O-CG2 3.31Å; T495-V499 WeakPolarHBondContact O-CG2 3.5Å; T495-V499 PolarHBondContact O-N 3.13Å; V496-V499 PolarHBondContact O-N 3.3Å; V496-V499 VanDerWaalsContact O-N 3.13Å; V499-Q502 PolarHBondContact O-NE2 2.8Å; V499-M536 HydrophobicContact CB-CE 4.28Å; V499-M536 HydrophobicContact CG2-CE 3.82Å; V499-M536 HydrophobicContact CG2-CG 4.32Å; V499-M536 HydrophobicContact CG2-SD 3.76Å |
| 500 | A | 88.2 | Confident | 87.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.1 | -32 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | G464 L468 L471 V496 V497 | G464-A500 WeakPolarHBondContact O-CB 3.44Å; L468-A500 HydrophobicContact CD1-CB 4.44Å; L471-A500 HydrophobicContact CD1-CB 4.35Å; V496-A500 VanDerWaalsContact O-CB 3.31Å; V496-A500 WeakPolarHBondContact O-CB 3.47Å; V496-A500 PolarHBondContact O-N 3.22Å; V497-A500 PolarHBondContact O-N 2.54Å |
| 501 | S | 83.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | trans | -92.5 | 102.2 | -179 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | V497 S504 | V497-S501 VanDerWaalsContact O-CB 3.31Å; V497-S501 WeakPolarHBondContact O-CB 3.22Å; V497-S501 PolarHBondContact O-N 3.18Å; S501-S504 PolarHBondContact OG-O 3.19Å | ||
| 502 | Q | 66.3 | Low | 87.1 | Confident | 36 Ų | 36 | 30 Ų | 30 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | trans | -93.3 | -22.1 | -163.8 | -55.3 | -110.2 | -52.2 | 0 | 0 | 112.9 | P461 V499 E743 R747 | P461-Q502 VanDerWaalsContact CB-OE1 3.27Å; V499-Q502 PolarHBondContact O-NE2 2.8Å; Q502-E743 PolarHBondContact NE2-OE2 3.14Å; Q502-E743 PolarHBondContact OE1-OE1 3.05Å; Q502-E743 PolarHBondContact OE1-OE2 3.4Å; Q502-R747 VanDerWaalsContact O-CZ 3.29Å; Q502-R747 PolarHBondContact O-NH1 3.13Å; Q502-R747 PolarHBondContact O-NH2 3.02Å | ||
| 503 | S | 59.1 | Low | 86.9 | Confident | 99 Ų | 99 | 30 Ų | 30 | 69% | 0.692 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -111.7 | -43.9 | -172 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 504 | S | 70.8 | Confident | 86.7 | Confident | 75 Ų | 75 | 34 Ų | 34 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | trans | -176.3 | 149 | 171.1 | 52.9 | 0 | 0 | 0 | 0 | 108.7 | S501 | S501-S504 PolarHBondContact OG-O 3.19Š| ||
| 505 | L | 83.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | trans | -71.8 | 132.1 | 173.5 | -68.6 | 154.5 | 0 | 0 | 0 | 109.7 | V497 F498 V509 K510 C538 F541 | V497-L505 HydrophobicContact CG1-CD2 3.83Å; F498-L505 HydrophobicContact CD1-CD1 3.64Å; F498-L505 HydrophobicContact CD1-CD2 4.05Å; F498-L505 HydrophobicContact CD1-CG 4.32Å; F498-L505 HydrophobicContact CE1-CD1 3.48Å; F498-L505 VanDerWaalsContact CE1-CD1 3.48Å; F498-L505 HydrophobicContact CE1-CD2 4.32Å; L505-V509 HydrophobicContact CD2-CB 4.48Å; L505-V509 HydrophobicContact CD2-CG1 3.73Å; L505-K510 HydrophobicContact CB-CD 4.44Å; L505-K510 HydrophobicContact CB-CG 3.81Å; L505-K510 WeakPolarHBondContact O-CE 3.21Å; L505-K510 PolarHBondContact O-NZ 3.38Å; L505-C538 HydrophobicContact CD1-CB 4.1Å; L505-F541 HydrophobicContact CD1-CB 4.14Å; L505-F541 HydrophobicContact CD1-CD1 4.03Å; L505-F541 HydrophobicContact CD1-CG 4.27Å | ||
| 506 | S | 87.3 | Confident | 86.1 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 42% | 0.42 | 23% | 0.229 | S | C | . | . | trans | -62.9 | 153.8 | 172.5 | 75.8 | 0 | 0 | 0 | 0 | 111.1 | E508 V509 K510 | S506-E508 PolarHBondContact O-N 2.85Å; S506-V509 PolarHBondContact O-N 2.78Å; S506-V509 VanDerWaalsContact O-N 3.17Å; S506-V509 WeakPolarHBondContact OG-CG2 3.43Å; S506-V509 PolarHBondContact OG-N 2.69Å; S506-K510 WeakPolarHBondContact O-CG 3.49Å; S506-K510 PolarHBondContact O-N 3.12Å | ||
| 507 | A | 87.6 | Confident | 86 | Confident | 73 Ų | 73 | 39.9 Ų | 39.9 | 60% | 0.603 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.4 | -33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T511 | A507-T511 WeakPolarHBondContact O-CB 3.38Å; A507-T511 PolarHBondContact O-N 3Å; A507-T511 PolarHBondContact O-OG1 2.88Å |
| 508 | E | 88.3 | Confident | 85.7 | Confident | 123 Ų | 123 | 46.5 Ų | 46.5 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.1 | -49.8 | 175.5 | -173 | -176.1 | 168.7 | 0 | 0 | 111.4 | R476 S506 K510 T511 V512 | R476-E508 IonicContact NH2-OE1 2.8Å; R476-E508 PolarHBondContact NH2-OE1 3.25Å; S506-E508 PolarHBondContact O-N 2.85Å; E508-K510 PolarHBondContact O-N 3.01Å; E508-T511 WeakPolarHBondContact O-CB 3.35Å; E508-T511 PolarHBondContact O-N 3.25Å; E508-V512 WeakPolarHBondContact O-CG2 3.21Å; E508-V512 PolarHBondContact O-N 3.48Å |
| 509 | V | 89.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | -179.3 | 176 | 0 | 0 | 0 | 0 | 111.1 | V472 V497 L505 S506 T511 V512 I513 | V472-V509 HydrophobicContact CG2-CB 4.5Å; V472-V509 HydrophobicContact CG2-CG1 4.07Å; V472-V509 HydrophobicContact CG2-CG2 3.74Å; V497-V509 HydrophobicContact CG1-CG1 3.82Å; L505-V509 HydrophobicContact CD2-CB 4.48Å; L505-V509 HydrophobicContact CD2-CG1 3.73Å; S506-V509 PolarHBondContact O-N 2.78Å; S506-V509 VanDerWaalsContact O-N 3.17Å; S506-V509 WeakPolarHBondContact OG-CG2 3.43Å; S506-V509 PolarHBondContact OG-N 2.69Å; V509-T511 VanDerWaalsContact C-N 3.29Å; V509-T511 PolarHBondContact O-N 3.45Å; V509-V512 PolarHBondContact O-N 3.26Å; V509-I513 HydrophobicContact CG1-CD1 4.01Å; V509-I513 WeakPolarHBondContact O-CG1 3.22Å; V509-I513 PolarHBondContact O-N 2.98Å |
| 510 | K | 91.6 | Very high | 85.3 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 12% | 0.122 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.2 | -45.3 | 174.4 | -69.7 | 172.9 | 179.3 | 164.2 | 0 | 111.4 | L505 S506 E508 I513 K514 E540 F541 | L505-K510 HydrophobicContact CB-CD 4.44Å; L505-K510 HydrophobicContact CB-CG 3.81Å; L505-K510 WeakPolarHBondContact O-CE 3.21Å; L505-K510 PolarHBondContact O-NZ 3.38Å; S506-K510 WeakPolarHBondContact O-CG 3.49Å; S506-K510 PolarHBondContact O-N 3.12Å; E508-K510 PolarHBondContact O-N 3.01Å; K510-I513 PolarHBondContact O-N 3.28Å; K510-K514 VanDerWaalsContact O-CB 3.3Å; K510-K514 WeakPolarHBondContact O-CB 3.33Å; K510-K514 PolarHBondContact O-N 2.98Å; K510-E540 IonicContact NZ-OE1 2.67Å; K510-E540 PolarHBondContact NZ-OE1 3.41Å; K510-E540 IonicContact NZ-OE2 2.88Å; K510-E540 PolarHBondContact NZ-OE2 3.49Å; K510-F541 HydrophobicContact CB-CD2 4.16Å; K510-F541 HydrophobicContact CB-CE2 4.17Å; K510-F541 HydrophobicContact CG-CD2 3.95Å; K510-F541 HydrophobicContact CG-CE2 4.42Å; K510-F541 HydrophobicContact CG-CG 4.35Å |
| 511 | T | 90.9 | Very high | 85.4 | Confident | 70 Ų | 70 | 55 Ų | 55 | 43% | 0.429 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | -179.2 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | A507 E508 V509 I513 K514 Q515 | A507-T511 WeakPolarHBondContact O-CB 3.38Å; A507-T511 PolarHBondContact O-N 3Å; A507-T511 PolarHBondContact O-OG1 2.88Å; E508-T511 WeakPolarHBondContact O-CB 3.35Å; E508-T511 PolarHBondContact O-N 3.25Å; V509-T511 VanDerWaalsContact C-N 3.29Å; V509-T511 PolarHBondContact O-N 3.45Å; T511-I513 PolarHBondContact O-N 3.45Å; T511-K514 PolarHBondContact O-N 3.34Å; T511-Q515 HydrophobicContact CG2-CG 4.37Å; T511-Q515 WeakPolarHBondContact O-CB 3.41Å; T511-Q515 VanDerWaalsContact O-CG 3.31Å; T511-Q515 WeakPolarHBondContact O-CG 3.35Å; T511-Q515 PolarHBondContact O-N 2.9Å |
| 512 | V | 91.1 | Very high | 85.8 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58 | -50.6 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | V472 Y475 R476 E508 V509 K514 Q515 Q516 | V472-V512 HydrophobicContact CG1-CB 4.47Å; V472-V512 HydrophobicContact CG1-CG1 4.19Å; V472-V512 HydrophobicContact CG1-CG2 4.32Å; Y475-V512 HydrophobicContact CD1-CG1 4.34Å; R476-V512 HydrophobicContact CG-CG1 3.56Å; R476-V512 HydrophobicContact CG-CG2 4.46Å; E508-V512 WeakPolarHBondContact O-CG2 3.21Å; E508-V512 PolarHBondContact O-N 3.48Å; V509-V512 PolarHBondContact O-N 3.26Å; V512-K514 PolarHBondContact O-N 3.05Å; V512-Q515 PolarHBondContact O-N 3.07Å; V512-Q516 WeakPolarHBondContact O-CG 3.1Å; V512-Q516 PolarHBondContact O-N 3.35Å |
| 513 | I | 92.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | -178.6 | -66.4 | 173.6 | 0 | 0 | 0 | 110.2 | Y475 V497 F498 V509 K510 T511 Q515 Q516 L517 F541 | Y475-I513 HydrophobicContact CD1-CG1 4.14Å; Y475-I513 HydrophobicContact CE1-CB 4.07Å; Y475-I513 HydrophobicContact CE1-CG1 3.97Å; Y475-I513 HydrophobicContact CE1-CG2 4.05Å; Y475-I513 HydrophobicContact CG-CG1 4.49Å; V497-I513 HydrophobicContact CG1-CD1 4.19Å; F498-I513 HydrophobicContact CE1-CD1 4.1Å; V509-I513 HydrophobicContact CG1-CD1 4.01Å; V509-I513 WeakPolarHBondContact O-CG1 3.22Å; V509-I513 PolarHBondContact O-N 2.98Å; K510-I513 PolarHBondContact O-N 3.28Å; T511-I513 PolarHBondContact O-N 3.45Å; I513-Q515 PolarHBondContact O-N 3.16Å; I513-Q516 PolarHBondContact O-N 2.85Å; I513-L517 HydrophobicContact CG2-CD1 3.88Å; I513-L517 HydrophobicContact CG2-CG 4.21Å; I513-L517 VanDerWaalsContact O-CG 3.31Å; I513-L517 WeakPolarHBondContact O-CG 3.29Å; I513-L517 PolarHBondContact O-N 3.28Å; I513-F541 HydrophobicContact CB-CE1 4.31Å; I513-F541 HydrophobicContact CB-CZ 3.93Å; I513-F541 HydrophobicContact CD1-CE1 4.39Å; I513-F541 HydrophobicContact CG2-CE1 3.81Å; I513-F541 HydrophobicContact CG2-CZ 3.63Å |
| 514 | K | 90.9 | Very high | 88.8 | Confident | 88 Ų | 88 | 61 Ų | 61 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | -177.6 | -174.1 | 175.5 | -178 | 172.5 | 0 | 112.8 | K510 T511 V512 Q516 L517 E518 E544 | K510-K514 VanDerWaalsContact O-CB 3.3Å; K510-K514 WeakPolarHBondContact O-CB 3.33Å; K510-K514 PolarHBondContact O-N 2.98Å; T511-K514 PolarHBondContact O-N 3.34Å; V512-K514 PolarHBondContact O-N 3.05Å; K514-Q516 VanDerWaalsContact C-N 3.3Å; K514-Q516 PolarHBondContact O-N 2.78Å; K514-L517 PolarHBondContact O-N 2.91Å; K514-L517 VanDerWaalsContact O-N 3.15Å; K514-E518 VanDerWaalsContact CE-OE1 3.31Å; K514-E518 WeakPolarHBondContact CE-OE1 3.49Å; K514-E518 WeakPolarHBondContact O-CG 3.24Å; K514-E518 PolarHBondContact O-N 3.39Å; K514-E544 IonicContact NZ-OE2 2.87Å |
| 515 | Q | 89 | Confident | 90 | Very high | 105 Ų | 105 | 57.6 Ų | 57.6 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.2 | -43.4 | 178.4 | -75.8 | 176.4 | -7 | 0 | 0 | 111.7 | T511 V512 I513 N519 | T511-Q515 HydrophobicContact CG2-CG 4.37Å; T511-Q515 WeakPolarHBondContact O-CB 3.41Å; T511-Q515 VanDerWaalsContact O-CG 3.31Å; T511-Q515 WeakPolarHBondContact O-CG 3.35Å; T511-Q515 PolarHBondContact O-N 2.9Å; V512-Q515 PolarHBondContact O-N 3.07Å; I513-Q515 PolarHBondContact O-N 3.16Å; Q515-N519 PolarHBondContact O-N 3.02Å; Q515-N519 PolarHBondContact O-ND2 2.86Å; Q515-N519 VanDerWaalsContact O-ND2 3.13Å |
| 516 | Q | 88.4 | Confident | 90.6 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -33 | 179 | -55.4 | -49.8 | -27.4 | 0 | 0 | 112.9 | Y475 S479 V512 I513 K514 N519 V520 | Y475-Q516 HydrophobicContact CD1-CB 4.29Å; Y475-Q516 HydrophobicContact CD1-CG 4.05Å; Y475-Q516 HydrophobicContact CE1-CB 3.83Å; Y475-Q516 HydrophobicContact CE1-CG 4.1Å; S479-Q516 PolarHBondContact OG-OE1 3.47Å; V512-Q516 WeakPolarHBondContact O-CG 3.1Å; V512-Q516 PolarHBondContact O-N 3.35Å; I513-Q516 PolarHBondContact O-N 2.85Å; K514-Q516 VanDerWaalsContact C-N 3.3Å; K514-Q516 PolarHBondContact O-N 2.78Å; Q516-N519 PolarHBondContact O-N 3.1Å; Q516-V520 PolarHBondContact O-N 3.15Å |
| 517 | L | 90.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.9 | -67.7 | -179.4 | 0 | 0 | 0 | 112.4 | Y475 I513 K514 N519 A521 V526 I529 L545 | Y475-L517 WeakPolarHBondContact OH-CD2 3.43Å; I513-L517 HydrophobicContact CG2-CD1 3.88Å; I513-L517 HydrophobicContact CG2-CG 4.21Å; I513-L517 VanDerWaalsContact O-CG 3.31Å; I513-L517 WeakPolarHBondContact O-CG 3.29Å; I513-L517 PolarHBondContact O-N 3.28Å; K514-L517 PolarHBondContact O-N 2.91Å; K514-L517 VanDerWaalsContact O-N 3.15Å; L517-N519 VanDerWaalsContact C-N 3.25Å; L517-N519 PolarHBondContact O-N 3.2Å; L517-A521 HydrophobicContact CB-CB 4.15Å; L517-A521 HydrophobicContact CD2-CB 3.51Å; L517-A521 HydrophobicContact CG-CB 4.44Å; L517-A521 WeakPolarHBondContact O-CB 3.42Å; L517-A521 PolarHBondContact O-N 3.13Å; L517-A521 VanDerWaalsContact O-N 3.14Å; L517-V526 HydrophobicContact CB-CG2 4.26Å; L517-V526 HydrophobicContact CD1-CG2 4.42Å; L517-V526 HydrophobicContact CD2-CG2 4.34Å; L517-I529 HydrophobicContact CD1-CD1 4.35Å; L517-I529 HydrophobicContact CD1-CG2 4.49Å; L517-I529 HydrophobicContact CD2-CD1 3.51Å; L517-L545 HydrophobicContact CD1-CD2 3.89Å |
| 518 | E | 88.3 | Confident | 91.6 | Very high | 139 Ų | 139 | 53 Ų | 53 | 65% | 0.65 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64 | -32.4 | 177.3 | -72.2 | 173.9 | -175.9 | 0 | 0 | 112.2 | K514 | K514-E518 VanDerWaalsContact CE-OE1 3.31Å; K514-E518 WeakPolarHBondContact CE-OE1 3.49Å; K514-E518 WeakPolarHBondContact O-CG 3.24Å; K514-E518 PolarHBondContact O-N 3.39Å |
| 519 | N | 84.7 | Confident | 92 | Very high | 117 Ų | 117 | 47.1 Ų | 47.1 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -77.6 | -46 | -176.9 | -68.2 | -23.4 | 0 | 0 | 0 | 113.8 | Q515 Q516 L517 | Q515-N519 PolarHBondContact O-N 3.02Å; Q515-N519 PolarHBondContact O-ND2 2.86Å; Q515-N519 VanDerWaalsContact O-ND2 3.13Å; Q516-N519 PolarHBondContact O-N 3.1Å; L517-N519 VanDerWaalsContact C-N 3.25Å; L517-N519 PolarHBondContact O-N 3.2Å |
| 520 | V | 88.4 | Confident | 92.3 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -133.7 | -14.4 | -164.3 | -159.3 | 0 | 0 | 0 | 0 | 114.4 | Q487 Q516 | Q487-V520 PolarHBondContact NE2-O 3.45Å; Q516-V520 PolarHBondContact O-N 3.15Å |
| 521 | A | 90.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | trans | -83.2 | 134.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L490 L517 T525 V526 | L490-A521 HydrophobicContact CD1-CB 4.46Å; L517-A521 HydrophobicContact CB-CB 4.15Å; L517-A521 HydrophobicContact CD2-CB 3.51Å; L517-A521 HydrophobicContact CG-CB 4.44Å; L517-A521 WeakPolarHBondContact O-CB 3.42Å; L517-A521 PolarHBondContact O-N 3.13Å; L517-A521 VanDerWaalsContact O-N 3.14Å; A521-T525 HydrophobicContact CB-CG2 3.9Å; A521-V526 HydrophobicContact CB-CG2 3.89Å | ||
| 522 | N | 92.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 44.3 Ų | 44.3 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | trans | -76.8 | 165.8 | 168.2 | 72.3 | 38.3 | 0 | 0 | 0 | 111.2 | Q487 W524 T525 V526 | Q487-N522 VanDerWaalsContact OE1-N 3.13Å; N522-W524 PolarHBondContact O-N 2.87Å; N522-W524 WeakPolarHBondContact OD1-CA 3.46Å; N522-W524 WeakPolarHBondContact OD1-CB 3.43Å; N522-W524 PolarHBondContact OD1-N 3.42Å; N522-T525 WeakPolarHBondContact O-CB 3.23Å; N522-T525 PolarHBondContact O-N 3.49Å; N522-T525 PolarHBondContact OD1-N 3.45Å; N522-T525 PolarHBondContact OD1-OG1 3.48Å; N522-T525 VanDerWaalsContact OD1-OG1 3.07Å; N522-V526 WeakPolarHBondContact O-CG2 3.39Å; N522-V526 PolarHBondContact O-N 3.36Å; N522-V526 VanDerWaalsContact O-N 3.16Å | ||
| 523 | G | 93.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -30.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y527 | G523-Y527 WeakPolarHBondContact O-CB 3.41Å; G523-Y527 PolarHBondContact O-N 3.4Å |
| 524 | W | 95.2 | Very high | 93 | Very high | 166 Ų | 166 | 43.8 Ų | 43.8 | 63% | 0.629 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -70.4 | -40.1 | 177.4 | -179.6 | -108.5 | 0 | 0 | 0 | 112.5 | N522 Y527 C528 | N522-W524 PolarHBondContact O-N 2.87Å; N522-W524 WeakPolarHBondContact OD1-CA 3.46Å; N522-W524 WeakPolarHBondContact OD1-CB 3.43Å; N522-W524 PolarHBondContact OD1-N 3.42Å; W524-Y527 AromaticContact CE3-CD1 3.94Å; W524-Y527 HydrophobicContact CE3-CD1 3.94Å; W524-Y527 HydrophobicContact CH2-CD1 4.27Å; W524-Y527 HydrophobicContact CH2-CE1 4.31Å; W524-Y527 AromaticContact CZ3-CD1 3.69Å; W524-Y527 HydrophobicContact CZ3-CD1 3.69Å; W524-Y527 AromaticContact CZ3-CE1 3.94Å; W524-Y527 HydrophobicContact CZ3-CE1 3.94Å; W524-Y527 PolarHBondContact O-N 2.76Å; W524-C528 WeakPolarHBondContact O-CB 3.39Å; W524-C528 PolarHBondContact O-N 3.49Å; W524-C528 PolarHBondContact O-SG 3.26Å |
| 525 | T | 95.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 174.1 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | Q487 L490 V491 A521 N522 Y527 C528 I529 | Q487-T525 WeakPolarHBondContact CB-OG1 3.49Å; Q487-T525 PolarHBondContact OE1-OG1 2.9Å; L490-T525 HydrophobicContact CB-CG2 4.21Å; L490-T525 HydrophobicContact CD1-CG2 4.46Å; V491-T525 HydrophobicContact CG2-CG2 3.98Å; A521-T525 HydrophobicContact CB-CG2 3.9Å; N522-T525 WeakPolarHBondContact O-CB 3.23Å; N522-T525 PolarHBondContact O-N 3.49Å; N522-T525 PolarHBondContact OD1-N 3.45Å; N522-T525 PolarHBondContact OD1-OG1 3.48Å; N522-T525 VanDerWaalsContact OD1-OG1 3.07Å; T525-Y527 VanDerWaalsContact C-N 3.3Å; T525-Y527 PolarHBondContact O-N 3.08Å; T525-C528 PolarHBondContact O-N 3.41Å; T525-I529 HydrophobicContact CG2-CD1 4.08Å; T525-I529 WeakPolarHBondContact O-CG1 3.49Å; T525-I529 PolarHBondContact O-N 3.19Å |
| 526 | V | 96.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L517 A521 N522 I529 A530 L545 L549 | L517-V526 HydrophobicContact CB-CG2 4.26Å; L517-V526 HydrophobicContact CD1-CG2 4.42Å; L517-V526 HydrophobicContact CD2-CG2 4.34Å; A521-V526 HydrophobicContact CB-CG2 3.89Å; N522-V526 WeakPolarHBondContact O-CG2 3.39Å; N522-V526 PolarHBondContact O-N 3.36Å; N522-V526 VanDerWaalsContact O-N 3.16Å; V526-I529 PolarHBondContact O-N 2.79Å; V526-A530 WeakPolarHBondContact O-CB 3.48Å; V526-A530 PolarHBondContact O-N 2.99Å; V526-L545 HydrophobicContact CG1-CB 4.3Å; V526-L545 HydrophobicContact CG1-CD2 4.15Å; V526-L549 HydrophobicContact CB-CD1 4.06Å; V526-L549 HydrophobicContact CB-CD2 4.05Å; V526-L549 HydrophobicContact CB-CG 4.28Å; V526-L549 HydrophobicContact CG1-CD1 3.77Å; V526-L549 HydrophobicContact CG1-CD2 4.08Å; V526-L549 HydrophobicContact CG1-CG 3.85Å |
| 527 | Y | 97.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 11% | 0.114 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 177 | 175.3 | -105.9 | 0 | 0 | 0 | 111.8 | G523 W524 T525 I529 A530 R531 Y546 W561 L562 L565 | G523-Y527 WeakPolarHBondContact O-CB 3.41Å; G523-Y527 PolarHBondContact O-N 3.4Å; W524-Y527 AromaticContact CE3-CD1 3.94Å; W524-Y527 HydrophobicContact CE3-CD1 3.94Å; W524-Y527 HydrophobicContact CH2-CD1 4.27Å; W524-Y527 HydrophobicContact CH2-CE1 4.31Å; W524-Y527 AromaticContact CZ3-CD1 3.69Å; W524-Y527 HydrophobicContact CZ3-CD1 3.69Å; W524-Y527 AromaticContact CZ3-CE1 3.94Å; W524-Y527 HydrophobicContact CZ3-CE1 3.94Å; W524-Y527 PolarHBondContact O-N 2.76Å; T525-Y527 VanDerWaalsContact C-N 3.3Å; T525-Y527 PolarHBondContact O-N 3.08Å; Y527-I529 VanDerWaalsContact C-N 3.32Å; Y527-I529 PolarHBondContact O-N 2.98Å; Y527-A530 PolarHBondContact O-N 2.75Å; Y527-R531 WeakPolarHBondContact O-CB 3.32Å; Y527-R531 PolarHBondContact O-N 3.49Å; Y527-Y546 HydrophobicContact CD2-CE1 4.15Å; Y527-Y546 HydrophobicContact CE2-CE1 4.14Å; Y527-W561 AromaticContact CE2-NE1 3.84Å; Y527-W561 AromaticContact CZ-NE1 3.8Å; Y527-W561 PolarHBondContact OH-NE1 2.82Å; Y527-L562 HydrophobicContact CD2-CD2 3.64Å; Y527-L562 HydrophobicContact CE2-CD2 3.76Å; Y527-L565 HydrophobicContact CE2-CD1 3.98Å |
| 528 | C | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.7 | -73.7 | 0 | 0 | 0 | 0 | 111.1 | V491 W524 T525 R531 Q532 | V491-C528 HydrophobicContact CG1-CB 4.09Å; V491-C528 HydrophobicContact CG2-CB 3.83Å; W524-C528 WeakPolarHBondContact O-CB 3.39Å; W524-C528 PolarHBondContact O-N 3.49Å; W524-C528 PolarHBondContact O-SG 3.26Å; T525-C528 PolarHBondContact O-N 3.41Å; C528-R531 WeakPolarHBondContact O-CB 3.46Å; C528-R531 PolarHBondContact O-N 3.36Å; C528-Q532 WeakPolarHBondContact O-CG 3.29Å; C528-Q532 PolarHBondContact O-N 2.89Å |
| 529 | I | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 177.5 | -69 | 169.9 | 0 | 0 | 0 | 111 | V491 A494 F498 L517 T525 V526 Y527 R531 Q532 A533 L545 | V491-I529 HydrophobicContact CB-CG1 4.48Å; V491-I529 HydrophobicContact CG2-CG1 4.14Å; A494-I529 HydrophobicContact CB-CD1 4.07Å; A494-I529 HydrophobicContact CB-CG1 3.91Å; A494-I529 HydrophobicContact CB-CG2 3.91Å; F498-I529 HydrophobicContact CE2-CG2 3.76Å; F498-I529 WeakPolarHBondContact CE2-O 3.46Å; F498-I529 HydrophobicContact CZ-CG2 3.72Å; L517-I529 HydrophobicContact CD1-CD1 4.35Å; L517-I529 HydrophobicContact CD1-CG2 4.49Å; L517-I529 HydrophobicContact CD2-CD1 3.51Å; T525-I529 HydrophobicContact CG2-CD1 4.08Å; T525-I529 WeakPolarHBondContact O-CG1 3.49Å; T525-I529 PolarHBondContact O-N 3.19Å; V526-I529 PolarHBondContact O-N 2.79Å; Y527-I529 VanDerWaalsContact C-N 3.32Å; Y527-I529 PolarHBondContact O-N 2.98Å; I529-R531 VanDerWaalsContact C-N 3.28Å; I529-R531 PolarHBondContact O-N 3.23Å; I529-Q532 PolarHBondContact O-N 2.9Å; I529-Q532 VanDerWaalsContact O-N 3.1Å; I529-A533 PolarHBondContact O-N 3.4Å; I529-L545 HydrophobicContact CB-CD1 4.49Å; I529-L545 HydrophobicContact CG2-CD1 3.83Å |
| 530 | A | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V526 Y527 A533 S534 S542 L545 Y546 | V526-A530 WeakPolarHBondContact O-CB 3.48Å; V526-A530 PolarHBondContact O-N 2.99Å; Y527-A530 PolarHBondContact O-N 2.75Å; A530-A533 WeakPolarHBondContact O-CB 3.28Å; A530-A533 PolarHBondContact O-N 3.22Å; A530-S534 PolarHBondContact O-N 3.01Å; A530-S534 PolarHBondContact O-OG 2.87Å; A530-S542 WeakPolarHBondContact O-CB 3.27Å; A530-L545 HydrophobicContact CB-CB 3.61Å; A530-L545 HydrophobicContact CB-CD1 3.98Å; A530-L545 HydrophobicContact CB-CG 4.47Å; A530-Y546 HydrophobicContact CB-CD1 3.75Å; A530-Y546 HydrophobicContact CB-CE1 3.41Å; A530-Y546 VanDerWaalsContact CB-CE1 3.41Å; A530-Y546 HydrophobicContact CB-CE2 4.46Å; A530-Y546 HydrophobicContact CB-CG 4.4Å; A530-Y546 PolarHBondContact O-OH 2.75Å |
| 531 | R | 96.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 11% | 0.109 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 174.4 | 179.1 | -178 | 66.4 | 176.7 | 0.3 | 112.4 | Y527 C528 I529 S534 R535 Y546 F796 Q797 | Y527-R531 WeakPolarHBondContact O-CB 3.32Å; Y527-R531 PolarHBondContact O-N 3.49Å; C528-R531 WeakPolarHBondContact O-CB 3.46Å; C528-R531 PolarHBondContact O-N 3.36Å; I529-R531 VanDerWaalsContact C-N 3.28Å; I529-R531 PolarHBondContact O-N 3.23Å; R531-S534 PolarHBondContact O-N 2.99Å; R531-R535 PolarHBondContact O-N 2.86Å; R531-Y546 WeakPolarHBondContact CA-OH 3.37Å; R531-Y546 PolarHBondContact N-OH 3.01Å; R531-F796 HydrophobicContact CB-CD1 4.49Å; R531-F796 HydrophobicContact CB-CE1 4.48Å; R531-F796 HydrophobicContact CG-CB 4.22Å; R531-F796 HydrophobicContact CG-CD1 3.79Å; R531-F796 HydrophobicContact CG-CD2 3.64Å; R531-F796 HydrophobicContact CG-CE1 4Å; R531-F796 HydrophobicContact CG-CE2 3.84Å; R531-F796 HydrophobicContact CG-CG 3.61Å; R531-F796 HydrophobicContact CG-CZ 4.02Å; R531-Q797 VanDerWaalsContact NH1-CD 3.34Å |
| 532 | Q | 94.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 28 Ų | 28 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.3 | -63.1 | -70.3 | -15.9 | 0 | 0 | 110.9 | T495 F498 C528 I529 S534 R535 M536 | T495-Q532 HydrophobicContact CG2-CG 4.46Å; T495-Q532 WeakPolarHBondContact OG1-CG 3.33Å; F498-Q532 HydrophobicContact CD2-CB 3.9Å; F498-Q532 HydrophobicContact CE2-CB 4.14Å; C528-Q532 WeakPolarHBondContact O-CG 3.29Å; C528-Q532 PolarHBondContact O-N 2.89Å; I529-Q532 PolarHBondContact O-N 2.9Å; I529-Q532 VanDerWaalsContact O-N 3.1Å; Q532-S534 PolarHBondContact O-N 2.85Å; Q532-R535 PolarHBondContact O-N 3.31Å; Q532-M536 WeakPolarHBondContact O-CG 3.4Å; Q532-M536 PolarHBondContact O-N 3.01Å |
| 533 | A | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | F498 I529 A530 R535 M536 G537 C538 | F498-A533 HydrophobicContact CD2-CB 4.1Å; F498-A533 HydrophobicContact CE1-CB 4.36Å; F498-A533 HydrophobicContact CE2-CB 3.72Å; F498-A533 HydrophobicContact CZ-CB 3.87Å; I529-A533 PolarHBondContact O-N 3.4Å; A530-A533 WeakPolarHBondContact O-CB 3.28Å; A530-A533 PolarHBondContact O-N 3.22Å; A533-R535 VanDerWaalsContact C-N 3.33Å; A533-R535 PolarHBondContact O-N 3.26Å; A533-M536 CarbonylContact O-C 3.57Å; A533-M536 PolarHBondContact O-N 2.74Å; A533-G537 PolarHBondContact O-N 3.3Å; A533-C538 HydrophobicContact CB-CB 3.98Å; A533-C538 WeakPolarHBondContact O-CB 3.35Å; A533-C538 PolarHBondContact O-N 3.19Å |
| 534 | S | 94.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -37 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | A530 R531 Q532 G537 S542 Y546 | A530-S534 PolarHBondContact O-N 3.01Å; A530-S534 PolarHBondContact O-OG 2.87Å; R531-S534 PolarHBondContact O-N 2.99Å; Q532-S534 PolarHBondContact O-N 2.85Å; S534-G537 PolarHBondContact O-N 3.36Å; S534-S542 WeakPolarHBondContact OG-CB 3.35Å; S534-S542 PolarHBondContact OG-OG 3.43Å; S534-Y546 VanDerWaalsContact OG-CE2 3.3Å; S534-Y546 WeakPolarHBondContact OG-CE2 3.39Å; S534-Y546 PolarHBondContact OG-OH 2.99Å |
| 535 | R | 93.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 19.4 Ų | 19.4 | 27% | 0.268 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -67.6 | -37.1 | 176.3 | -167.3 | -177.1 | 78.9 | -127.4 | -7.9 | 111.7 | R531 Q532 A533 G537 S790 F791 | R531-R535 PolarHBondContact O-N 2.86Å; Q532-R535 PolarHBondContact O-N 3.31Å; A533-R535 VanDerWaalsContact C-N 3.33Å; A533-R535 PolarHBondContact O-N 3.26Å; R535-G537 VanDerWaalsContact C-N 3.28Å; R535-G537 PolarHBondContact O-N 3.48Å; R535-S790 WeakPolarHBondContact O-CB 3.48Å; R535-S790 PolarHBondContact O-OG 3.22Å; R535-F791 WeakPolarHBondContact CA-O 3.49Å; R535-F791 WeakPolarHBondContact CB-O 3.39Å; R535-F791 WeakPolarHBondContact CG-O 3.24Å |
| 536 | M | 90.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 19.2 Ų | 19.2 | 25% | 0.246 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.1 | 179.5 | -60.7 | -51.6 | -51.5 | 0 | 0 | 113.7 | F498 V499 Q532 A533 C538 | F498-M536 HydrophobicContact CB-CB 3.89Å; F498-M536 HydrophobicContact CB-CG 3.76Å; V499-M536 HydrophobicContact CB-CE 4.28Å; V499-M536 HydrophobicContact CG2-CE 3.82Å; V499-M536 HydrophobicContact CG2-CG 4.32Å; V499-M536 HydrophobicContact CG2-SD 3.76Å; Q532-M536 WeakPolarHBondContact O-CG 3.4Å; Q532-M536 PolarHBondContact O-N 3.01Å; A533-M536 CarbonylContact O-C 3.57Å; A533-M536 PolarHBondContact O-N 2.74Å; M536-C538 VanDerWaalsContact C-N 3.31Å; M536-C538 PolarHBondContact O-N 2.74Å |
| 537 | G | 90.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 11% | 0.113 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A533 S534 R535 H539 | A533-G537 PolarHBondContact O-N 3.3Å; S534-G537 PolarHBondContact O-N 3.36Å; R535-G537 VanDerWaalsContact C-N 3.28Å; R535-G537 PolarHBondContact O-N 3.48Å; G537-H539 PolarHBondContact O-CD2 2.87Å; G537-H539 PolarHBondContact O-N 2.96Å |
| 538 | C | 92.1 | Very high | 94.7 | Very high | 14 Ų | 14 | 24 Ų | 24 | 10% | 0.095 | 12% | 0.121 | C | C | . | . | trans | -80.6 | 62.8 | 177.2 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | L505 A533 M536 F541 S542 | L505-C538 HydrophobicContact CD1-CB 4.1Å; A533-C538 HydrophobicContact CB-CB 3.98Å; A533-C538 WeakPolarHBondContact O-CB 3.35Å; A533-C538 PolarHBondContact O-N 3.19Å; M536-C538 VanDerWaalsContact C-N 3.31Å; M536-C538 PolarHBondContact O-N 2.74Å; C538-F541 PolarHBondContact O-N 2.78Å; C538-S542 PolarHBondContact O-N 3.19Å; C538-S542 VanDerWaalsContact O-N 3.07Å; C538-S542 PolarHBondContact O-OG 3.36Å | ||
| 539 | H | 93.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | -167.4 | -64.9 | -63.6 | 0 | 0 | 0 | 114.4 | G537 F541 S542 S543 S569 E572 Q573 L789 F791 | G537-H539 PolarHBondContact O-CD2 2.87Å; G537-H539 PolarHBondContact O-N 2.96Å; H539-F541 PolarHBondContact O-N 3.39Å; H539-S542 WeakPolarHBondContact CA-OG 3.31Å; H539-S542 PolarHBondContact O-N 3.19Å; H539-S542 PolarHBondContact O-OG 3.16Å; H539-S543 WeakPolarHBondContact O-CB 3.39Å; H539-S543 PolarHBondContact O-N 3.33Å; H539-S569 WeakPolarHBondContact CB-O 3.45Å; H539-S569 WeakPolarHBondContact O-CB 3.4Å; H539-E572 HydrophobicContact CB-CB 4.17Å; H539-E572 VanDerWaalsContact CD2-CB 3.48Å; H539-E572 WeakPolarHBondContact CD2-CB 3.41Å; H539-Q573 HydrophobicContact CB-CB 4.46Å; H539-L789 PolarHBondContact CE1-O 2.97Å; H539-L789 PolarHBondContact NE2-O 3.28Å; H539-F791 AromaticContact CE1-CD2 3.94Å; H539-F791 AromaticContact CE1-CE2 3.82Å |
| 540 | E | 92.7 | Very high | 94.4 | Very high | 72 Ų | 72 | 26.2 Ų | 26.2 | 34% | 0.336 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -53.5 | -52.2 | 177 | 178.6 | -172 | 165.2 | 0 | 0 | 111.5 | K510 S542 S543 E544 Q573 | K510-E540 IonicContact NZ-OE1 2.67Å; K510-E540 PolarHBondContact NZ-OE1 3.41Å; K510-E540 IonicContact NZ-OE2 2.88Å; K510-E540 PolarHBondContact NZ-OE2 3.49Å; E540-S542 PolarHBondContact O-N 3.01Å; E540-S543 WeakPolarHBondContact O-CB 3.27Å; E540-S543 PolarHBondContact O-N 3.3Å; E540-E544 PolarHBondContact O-N 2.93Å; E540-Q573 HydrophobicContact CB-CG 4.13Å |
| 541 | F | 94.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | -179.2 | -168.6 | -125.5 | 0 | 0 | 0 | 111.9 | F498 L505 K510 I513 C538 H539 S543 E544 L545 | F498-F541 AromaticContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CE1 4.11Å; F498-F541 AromaticContact CZ-CD1 3.91Å; F498-F541 HydrophobicContact CZ-CD1 3.91Å; F498-F541 AromaticContact CZ-CE1 3.9Å; F498-F541 HydrophobicContact CZ-CE1 3.9Å; L505-F541 HydrophobicContact CD1-CB 4.14Å; L505-F541 HydrophobicContact CD1-CD1 4.03Å; L505-F541 HydrophobicContact CD1-CG 4.27Å; K510-F541 HydrophobicContact CB-CD2 4.16Å; K510-F541 HydrophobicContact CB-CE2 4.17Å; K510-F541 HydrophobicContact CG-CD2 3.95Å; K510-F541 HydrophobicContact CG-CE2 4.42Å; K510-F541 HydrophobicContact CG-CG 4.35Å; I513-F541 HydrophobicContact CB-CE1 4.31Å; I513-F541 HydrophobicContact CB-CZ 3.93Å; I513-F541 HydrophobicContact CD1-CE1 4.39Å; I513-F541 HydrophobicContact CG2-CE1 3.81Å; I513-F541 HydrophobicContact CG2-CZ 3.63Å; C538-F541 PolarHBondContact O-N 2.78Å; H539-F541 PolarHBondContact O-N 3.39Å; F541-S543 VanDerWaalsContact C-N 3.31Å; F541-S543 PolarHBondContact O-N 3.09Å; F541-E544 PolarHBondContact O-N 3.3Å; F541-L545 HydrophobicContact CD1-CD1 4.02Å; F541-L545 HydrophobicContact CE1-CD1 3.69Å; F541-L545 HydrophobicContact CE1-CG 4.25Å; F541-L545 HydrophobicContact CE2-CD2 4.3Å; F541-L545 HydrophobicContact CE2-CG 4.43Å; F541-L545 HydrophobicContact CZ-CD1 4.07Å; F541-L545 HydrophobicContact CZ-CD2 4.06Å; F541-L545 HydrophobicContact CZ-CG 4.21Å; F541-L545 WeakPolarHBondContact O-CG 3.38Å; F541-L545 PolarHBondContact O-N 3.22Å; F541-L545 VanDerWaalsContact O-N 3.08Å |
| 542 | S | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | A530 S534 C538 H539 E540 L545 Y546 S569 | A530-S542 WeakPolarHBondContact O-CB 3.27Å; S534-S542 WeakPolarHBondContact OG-CB 3.35Å; S534-S542 PolarHBondContact OG-OG 3.43Å; C538-S542 PolarHBondContact O-N 3.19Å; C538-S542 VanDerWaalsContact O-N 3.07Å; C538-S542 PolarHBondContact O-OG 3.36Å; H539-S542 WeakPolarHBondContact CA-OG 3.31Å; H539-S542 PolarHBondContact O-N 3.19Å; H539-S542 PolarHBondContact O-OG 3.16Å; E540-S542 PolarHBondContact O-N 3.01Å; S542-L545 PolarHBondContact O-N 3.22Å; S542-Y546 WeakPolarHBondContact O-CD2 3.45Å; S542-Y546 PolarHBondContact O-N 3.37Å; S542-S569 WeakPolarHBondContact OG-CB 3.3Å; S542-S569 PolarHBondContact OG-OG 3.44Å |
| 543 | S | 95.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | H539 E540 F541 L545 Y546 Q547 Q570 | H539-S543 WeakPolarHBondContact O-CB 3.39Å; H539-S543 PolarHBondContact O-N 3.33Å; E540-S543 WeakPolarHBondContact O-CB 3.27Å; E540-S543 PolarHBondContact O-N 3.3Å; F541-S543 VanDerWaalsContact C-N 3.31Å; F541-S543 PolarHBondContact O-N 3.09Å; S543-L545 PolarHBondContact O-N 3.47Å; S543-Y546 PolarHBondContact O-N 2.81Å; S543-Q547 VanDerWaalsContact O-CB 3.31Å; S543-Q547 WeakPolarHBondContact O-CB 3.22Å; S543-Q547 PolarHBondContact O-N 3.43Å; S543-Q570 WeakPolarHBondContact OG-CG 3.48Å |
| 544 | E | 95.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 175.3 | -70.9 | -174.9 | -145.4 | 0 | 0 | 112.3 | K514 E540 F541 Q547 S548 | K514-E544 IonicContact NZ-OE2 2.87Å; E540-E544 PolarHBondContact O-N 2.93Å; F541-E544 PolarHBondContact O-N 3.3Å; E544-Q547 WeakPolarHBondContact O-CB 3.46Å; E544-Q547 PolarHBondContact O-N 3.17Å; E544-S548 PolarHBondContact O-N 2.69Å |
| 545 | L | 96.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | -179.3 | -64.9 | -178.3 | 0 | 0 | 0 | 111.9 | L517 V526 I529 A530 F541 S542 S543 Q547 S548 L549 | L517-L545 HydrophobicContact CD1-CD2 3.89Å; V526-L545 HydrophobicContact CG1-CB 4.3Å; V526-L545 HydrophobicContact CG1-CD2 4.15Å; I529-L545 HydrophobicContact CB-CD1 4.49Å; I529-L545 HydrophobicContact CG2-CD1 3.83Å; A530-L545 HydrophobicContact CB-CB 3.61Å; A530-L545 HydrophobicContact CB-CD1 3.98Å; A530-L545 HydrophobicContact CB-CG 4.47Å; F541-L545 HydrophobicContact CD1-CD1 4.02Å; F541-L545 HydrophobicContact CE1-CD1 3.69Å; F541-L545 HydrophobicContact CE1-CG 4.25Å; F541-L545 HydrophobicContact CE2-CD2 4.3Å; F541-L545 HydrophobicContact CE2-CG 4.43Å; F541-L545 HydrophobicContact CZ-CD1 4.07Å; F541-L545 HydrophobicContact CZ-CD2 4.06Å; F541-L545 HydrophobicContact CZ-CG 4.21Å; F541-L545 WeakPolarHBondContact O-CG 3.38Å; F541-L545 PolarHBondContact O-N 3.22Å; F541-L545 VanDerWaalsContact O-N 3.08Å; S542-L545 PolarHBondContact O-N 3.22Å; S543-L545 PolarHBondContact O-N 3.47Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-Q547 PolarHBondContact O-N 2.85Å; L545-S548 WeakPolarHBondContact O-CB 3.26Å; L545-S548 PolarHBondContact O-N 3.39Å; L545-S548 PolarHBondContact O-OG 3.31Å; L545-L549 WeakPolarHBondContact O-CG 3.38Å; L545-L549 PolarHBondContact O-N 2.96Å |
| 546 | Y | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 174.6 | -65.5 | -46.9 | 0 | 0 | 0 | 111.7 | Y527 A530 R531 S534 S542 S543 S548 L549 R550 L562 L565 | Y527-Y546 HydrophobicContact CD2-CE1 4.15Å; Y527-Y546 HydrophobicContact CE2-CE1 4.14Å; A530-Y546 HydrophobicContact CB-CD1 3.75Å; A530-Y546 HydrophobicContact CB-CE1 3.41Å; A530-Y546 VanDerWaalsContact CB-CE1 3.41Å; A530-Y546 HydrophobicContact CB-CE2 4.46Å; A530-Y546 HydrophobicContact CB-CG 4.4Å; A530-Y546 PolarHBondContact O-OH 2.75Å; R531-Y546 WeakPolarHBondContact CA-OH 3.37Å; R531-Y546 PolarHBondContact N-OH 3.01Å; S534-Y546 VanDerWaalsContact OG-CE2 3.3Å; S534-Y546 WeakPolarHBondContact OG-CE2 3.39Å; S534-Y546 PolarHBondContact OG-OH 2.99Å; S542-Y546 WeakPolarHBondContact O-CD2 3.45Å; S542-Y546 PolarHBondContact O-N 3.37Å; S543-Y546 PolarHBondContact O-N 2.81Å; Y546-S548 VanDerWaalsContact C-N 3.3Å; Y546-S548 PolarHBondContact O-N 3.45Å; Y546-L549 PolarHBondContact O-N 2.93Å; Y546-L549 VanDerWaalsContact O-N 3.15Å; Y546-R550 PolarHBondContact O-N 3.48Å; Y546-L562 HydrophobicContact CD1-CD2 3.95Å; Y546-L565 HydrophobicContact CD1-CB 4.19Å; Y546-L565 HydrophobicContact CD1-CD1 4.15Å; Y546-L565 HydrophobicContact CD2-CB 3.69Å; Y546-L565 HydrophobicContact CE1-CB 4.17Å; Y546-L565 HydrophobicContact CE1-CD1 3.62Å; Y546-L565 HydrophobicContact CE2-CB 3.67Å; Y546-L565 HydrophobicContact CE2-CD1 4.39Å; Y546-L565 HydrophobicContact CG-CB 3.98Å |
| 547 | Q | 95.9 | Very high | 93.6 | Very high | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 174.1 | -179.1 | 62.2 | 33.7 | 0 | 0 | 111.6 | S543 E544 L545 L549 K566 | S543-Q547 VanDerWaalsContact O-CB 3.31Å; S543-Q547 WeakPolarHBondContact O-CB 3.22Å; S543-Q547 PolarHBondContact O-N 3.43Å; E544-Q547 WeakPolarHBondContact O-CB 3.46Å; E544-Q547 PolarHBondContact O-N 3.17Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-Q547 PolarHBondContact O-N 2.85Å; Q547-L549 PolarHBondContact O-N 3.31Å; Q547-K566 HydrophobicContact CB-CG 4.24Å; Q547-K566 VanDerWaalsContact OE1-CE 3.24Å |
| 548 | S | 94.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -27.8 | 177.9 | 83.7 | 0 | 0 | 0 | 0 | 113.4 | E544 L545 Y546 R552 | E544-S548 PolarHBondContact O-N 2.69Å; L545-S548 WeakPolarHBondContact O-CB 3.26Å; L545-S548 PolarHBondContact O-N 3.39Å; L545-S548 PolarHBondContact O-OG 3.31Å; Y546-S548 VanDerWaalsContact C-N 3.3Å; Y546-S548 PolarHBondContact O-N 3.45Å; S548-R552 WeakPolarHBondContact O-CD 3.36Å |
| 549 | L | 95.1 | Very high | 94 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -92.7 | -25.3 | -177.9 | -73 | 175.5 | 0 | 0 | 0 | 114 | V526 L545 Y546 Q547 T551 R552 L562 | V526-L549 HydrophobicContact CB-CD1 4.06Å; V526-L549 HydrophobicContact CB-CD2 4.05Å; V526-L549 HydrophobicContact CB-CG 4.28Å; V526-L549 HydrophobicContact CG1-CD1 3.77Å; V526-L549 HydrophobicContact CG1-CD2 4.08Å; V526-L549 HydrophobicContact CG1-CG 3.85Å; L545-L549 WeakPolarHBondContact O-CG 3.38Å; L545-L549 PolarHBondContact O-N 2.96Å; Y546-L549 PolarHBondContact O-N 2.93Å; Y546-L549 VanDerWaalsContact O-N 3.15Å; Q547-L549 PolarHBondContact O-N 3.31Å; L549-T551 PolarHBondContact O-N 2.88Å; L549-R552 PolarHBondContact O-N 3.28Å; L549-L562 HydrophobicContact CB-CD1 3.81Å |
| 550 | R | 92.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -37.9 | -169.9 | -172.2 | -178.2 | 65.2 | 160.8 | 4.8 | 113.2 | Y546 V553 Y559 N563 | Y546-R550 PolarHBondContact O-N 3.48Å; R550-V553 WeakPolarHBondContact O-CG2 3.39Å; R550-Y559 HydrophobicContact CG-CD2 3.81Å; R550-Y559 HydrophobicContact CG-CE2 3.62Å; R550-Y559 WeakPolarHBondContact O-CD2 3.39Å; R550-N563 VanDerWaalsContact CD-OD1 3.25Å; R550-N563 WeakPolarHBondContact CD-OD1 3.1Å; R550-N563 HydrophobicContact CG-CB 4.25Å; R550-N563 PolarHBondContact NH1-OD1 2.98Å |
| 551 | T | 90.1 | Very high | 94.5 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4 | -179.7 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | L549 | L549-T551 PolarHBondContact O-N 2.88Š|
| 552 | R | 92.3 | Very high | 94.7 | Very high | 158 Ų | 158 | 59.9 Ų | 59.9 | 60% | 0.596 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -109.6 | 23.9 | -176.2 | -62.1 | 177.8 | 64.1 | -171.5 | 1 | 112.6 | S548 L549 | S548-R552 WeakPolarHBondContact O-CD 3.36Å; L549-R552 PolarHBondContact O-N 3.28Å |
| 553 | V | 92.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 61 Ų | 61 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | trans | -113.5 | 146.8 | -180 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | R550 F558 L562 | R550-V553 WeakPolarHBondContact O-CG2 3.39Å; V553-F558 HydrophobicContact CB-CB 4.1Å; V553-F558 HydrophobicContact CG1-CB 4.28Å; V553-F558 HydrophobicContact CG2-CB 4.3Å; V553-L562 HydrophobicContact CG1-CD1 3.4Å; V553-L562 HydrophobicContact CG2-CD1 4.44Å | ||
| 554 | A | 90.6 | Very high | 95 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 97% | 0.967 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -89.8 | 1.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 555 | S | 92.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | trans | -134.1 | 139.1 | -177.2 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | H557 F558 Y559 | S555-H557 VanDerWaalsContact C-N 3.31Å; S555-H557 PolarHBondContact O-N 3.17Å; S555-H557 PolarHBondContact OG-N 2.83Å; S555-F558 PolarHBondContact O-N 2.89Å; S555-Y559 PolarHBondContact O-N 2.87Å | ||
| 556 | E | 93.6 | Very high | 95.2 | Very high | 131 Ų | 131 | 57.9 Ų | 57.9 | 61% | 0.612 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.4 | -38.1 | 174.3 | 64 | -174.7 | 166 | 0 | 0 | 112.1 | F558 Y559 F560 | E556-F558 VanDerWaalsContact C-N 3.31Å; E556-F558 PolarHBondContact O-N 3.03Å; E556-Y559 WeakPolarHBondContact O-CB 3.31Å; E556-Y559 PolarHBondContact O-N 3.36Å; E556-Y559 VanDerWaalsContact O-N 3.13Å; E556-F560 HydrophobicContact CB-CE2 4.41Å; E556-F560 WeakPolarHBondContact O-CD2 3.49Å; E556-F560 PolarHBondContact O-N 3.06Å |
| 557 | H | 94.3 | Very high | 95.3 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.4 | -56.4 | -54.4 | 0 | 0 | 0 | 111 | S555 F560 W561 A607 T609 | S555-H557 VanDerWaalsContact C-N 3.31Å; S555-H557 PolarHBondContact O-N 3.17Å; S555-H557 PolarHBondContact OG-N 2.83Å; H557-F560 PolarHBondContact O-N 3.44Å; H557-W561 VanDerWaalsContact O-CB 3.3Å; H557-W561 WeakPolarHBondContact O-CB 3.43Å; H557-W561 PolarHBondContact O-N 3.14Å; H557-A607 WeakPolarHBondContact O-CB 3.36Å; H557-T609 WeakPolarHBondContact CE1-CG2 3.41Å |
| 558 | F | 94.8 | Very high | 95.4 | Very high | 127 Ų | 127 | 55 Ų | 55 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.2 | -31.5 | 175.1 | -63.2 | -37.9 | 0 | 0 | 0 | 112.6 | V553 S555 E556 L562 | V553-F558 HydrophobicContact CB-CB 4.1Å; V553-F558 HydrophobicContact CG1-CB 4.28Å; V553-F558 HydrophobicContact CG2-CB 4.3Å; S555-F558 PolarHBondContact O-N 2.89Å; E556-F558 VanDerWaalsContact C-N 3.31Å; E556-F558 PolarHBondContact O-N 3.03Å; F558-L562 WeakPolarHBondContact O-CB 3.33Å; F558-L562 WeakPolarHBondContact O-CG 3.38Å; F558-L562 PolarHBondContact O-N 3.07Å |
| 559 | Y | 97.1 | Very high | 95.5 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 170.7 | 171.4 | -85.6 | 0 | 0 | 0 | 110.4 | R550 S555 E556 W561 L562 N563 | R550-Y559 HydrophobicContact CG-CD2 3.81Å; R550-Y559 HydrophobicContact CG-CE2 3.62Å; R550-Y559 WeakPolarHBondContact O-CD2 3.39Å; S555-Y559 PolarHBondContact O-N 2.87Å; E556-Y559 WeakPolarHBondContact O-CB 3.31Å; E556-Y559 PolarHBondContact O-N 3.36Å; E556-Y559 VanDerWaalsContact O-N 3.13Å; Y559-W561 VanDerWaalsContact C-N 3.34Å; Y559-W561 PolarHBondContact O-N 3.06Å; Y559-L562 PolarHBondContact O-N 3.05Å; Y559-N563 VanDerWaalsContact O-CB 3.25Å; Y559-N563 WeakPolarHBondContact O-CB 3.42Å; Y559-N563 PolarHBondContact O-N 3.47Å |
| 560 | F | 97.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 179.9 | -74.6 | -59.9 | 0 | 0 | 0 | 112.6 | E556 H557 S564 S603 A606 A607 | E556-F560 HydrophobicContact CB-CE2 4.41Å; E556-F560 WeakPolarHBondContact O-CD2 3.49Å; E556-F560 PolarHBondContact O-N 3.06Å; H557-F560 PolarHBondContact O-N 3.44Å; F560-S564 WeakPolarHBondContact O-CB 3.46Å; F560-S564 PolarHBondContact O-N 3.33Å; F560-S564 PolarHBondContact O-OG 3.29Å; F560-S603 WeakPolarHBondContact CB-O 3.32Å; F560-S603 PolarHBondContact O-OG 3.15Å; F560-A606 HydrophobicContact CD1-CB 4.11Å; F560-A606 HydrophobicContact CD2-CB 4.21Å; F560-A606 HydrophobicContact CE1-CB 4.36Å; F560-A606 HydrophobicContact CE2-CB 4.47Å; F560-A606 HydrophobicContact CG-CB 4.04Å; F560-A607 HydrophobicContact CB-CB 3.75Å |
| 561 | W | 97.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -55 | 171.7 | 172.3 | -108.5 | 0 | 0 | 0 | 111.5 | Y527 H557 Y559 N563 S564 L565 L604 A607 L614 Q617 F795 F796 | Y527-W561 AromaticContact CE2-NE1 3.84Å; Y527-W561 AromaticContact CZ-NE1 3.8Å; Y527-W561 PolarHBondContact OH-NE1 2.82Å; H557-W561 VanDerWaalsContact O-CB 3.3Å; H557-W561 WeakPolarHBondContact O-CB 3.43Å; H557-W561 PolarHBondContact O-N 3.14Å; Y559-W561 VanDerWaalsContact C-N 3.34Å; Y559-W561 PolarHBondContact O-N 3.06Å; W561-N563 VanDerWaalsContact C-N 3.29Å; W561-N563 PolarHBondContact O-N 3.39Å; W561-S564 PolarHBondContact O-N 3.38Å; W561-S564 VanDerWaalsContact O-N 3.1Å; W561-S564 PolarHBondContact O-OG 3.37Å; W561-L565 HydrophobicContact CD2-CD1 4.36Å; W561-L565 HydrophobicContact CD2-CG 4.4Å; W561-L565 HydrophobicContact CH2-CD2 4.2Å; W561-L565 HydrophobicContact CZ2-CD1 3.89Å; W561-L565 HydrophobicContact CZ2-CD2 4Å; W561-L565 HydrophobicContact CZ2-CG 4.2Å; W561-L565 WeakPolarHBondContact O-CG 3.31Å; W561-L565 PolarHBondContact O-N 3.07Å; W561-L604 HydrophobicContact CE3-CD1 3.59Å; W561-L604 HydrophobicContact CZ3-CD1 3.54Å; W561-A607 HydrophobicContact CB-CB 4.29Å; W561-L614 HydrophobicContact CE3-CD1 3.99Å; W561-L614 HydrophobicContact CZ3-CD1 4.24Å; W561-Q617 HydrophobicContact CH2-CG 4.16Å; W561-Q617 HydrophobicContact CZ3-CG 4.13Å; W561-F795 HydrophobicContact CH2-CD1 4.04Å; W561-F795 AromaticContact CH2-CE1 3.82Å; W561-F795 HydrophobicContact CH2-CE1 3.82Å; W561-F795 WeakPolarHBondContact CH2-O 3.28Å; W561-F795 HydrophobicContact CZ3-CE1 4.4Å; W561-F796 AromaticContact CZ2-CD1 3.96Å; W561-F796 HydrophobicContact CZ2-CD1 3.96Å |
| 562 | L | 98.1 | Very high | 96 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 178.9 | -71.1 | 177.7 | 0 | 0 | 0 | 112.3 | Y527 Y546 L549 V553 F558 Y559 S564 L565 K566 | Y527-L562 HydrophobicContact CD2-CD2 3.64Å; Y527-L562 HydrophobicContact CE2-CD2 3.76Å; Y546-L562 HydrophobicContact CD1-CD2 3.95Å; L549-L562 HydrophobicContact CB-CD1 3.81Å; V553-L562 HydrophobicContact CG1-CD1 3.4Å; V553-L562 HydrophobicContact CG2-CD1 4.44Å; F558-L562 WeakPolarHBondContact O-CB 3.33Å; F558-L562 WeakPolarHBondContact O-CG 3.38Å; F558-L562 PolarHBondContact O-N 3.07Å; Y559-L562 PolarHBondContact O-N 3.05Å; L562-S564 VanDerWaalsContact C-N 3.34Å; L562-L565 PolarHBondContact O-N 2.83Å; L562-K566 VanDerWaalsContact O-CB 3.29Å; L562-K566 WeakPolarHBondContact O-CB 3.39Å; L562-K566 PolarHBondContact O-N 3.49Å |
| 563 | N | 98.2 | Very high | 96 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.8 | -171.7 | 69.6 | 0 | 0 | 0 | 111.3 | R550 Y559 W561 K566 E567 S603 | R550-N563 VanDerWaalsContact CD-OD1 3.25Å; R550-N563 WeakPolarHBondContact CD-OD1 3.1Å; R550-N563 HydrophobicContact CG-CB 4.25Å; R550-N563 PolarHBondContact NH1-OD1 2.98Å; Y559-N563 VanDerWaalsContact O-CB 3.25Å; Y559-N563 WeakPolarHBondContact O-CB 3.42Å; Y559-N563 PolarHBondContact O-N 3.47Å; W561-N563 VanDerWaalsContact C-N 3.29Å; W561-N563 PolarHBondContact O-N 3.39Å; N563-K566 PolarHBondContact O-N 3.42Å; N563-E567 WeakPolarHBondContact O-CG 3.47Å; N563-E567 PolarHBondContact O-N 2.82Å; N563-S603 PolarHBondContact ND2-OG 2.99Å |
| 564 | S | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 175.3 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | F560 W561 L562 K566 E567 F568 G600 | F560-S564 WeakPolarHBondContact O-CB 3.46Å; F560-S564 PolarHBondContact O-N 3.33Å; F560-S564 PolarHBondContact O-OG 3.29Å; W561-S564 PolarHBondContact O-N 3.38Å; W561-S564 VanDerWaalsContact O-N 3.1Å; W561-S564 PolarHBondContact O-OG 3.37Å; L562-S564 VanDerWaalsContact C-N 3.34Å; S564-K566 VanDerWaalsContact C-N 3.31Å; S564-K566 PolarHBondContact O-N 3.35Å; S564-E567 PolarHBondContact O-N 3.41Å; S564-F568 WeakPolarHBondContact O-CD2 3.47Å; S564-F568 WeakPolarHBondContact O-CG 3.33Å; S564-F568 PolarHBondContact O-N 3.09Å; S564-G600 VanDerWaalsContact CB-O 3.28Å; S564-G600 WeakPolarHBondContact CB-O 3.34Å |
| 565 | L | 98.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.9 | -67.3 | -178.5 | 0 | 0 | 0 | 112.1 | Y527 Y546 W561 L562 F568 S569 F795 F796 | Y527-L565 HydrophobicContact CE2-CD1 3.98Å; Y546-L565 HydrophobicContact CD1-CB 4.19Å; Y546-L565 HydrophobicContact CD1-CD1 4.15Å; Y546-L565 HydrophobicContact CD2-CB 3.69Å; Y546-L565 HydrophobicContact CE1-CB 4.17Å; Y546-L565 HydrophobicContact CE1-CD1 3.62Å; Y546-L565 HydrophobicContact CE2-CB 3.67Å; Y546-L565 HydrophobicContact CE2-CD1 4.39Å; Y546-L565 HydrophobicContact CG-CB 3.98Å; W561-L565 HydrophobicContact CD2-CD1 4.36Å; W561-L565 HydrophobicContact CD2-CG 4.4Å; W561-L565 HydrophobicContact CH2-CD2 4.2Å; W561-L565 HydrophobicContact CZ2-CD1 3.89Å; W561-L565 HydrophobicContact CZ2-CD2 4Å; W561-L565 HydrophobicContact CZ2-CG 4.2Å; W561-L565 WeakPolarHBondContact O-CG 3.31Å; W561-L565 PolarHBondContact O-N 3.07Å; L562-L565 PolarHBondContact O-N 2.83Å; L565-F568 PolarHBondContact O-N 2.95Å; L565-S569 WeakPolarHBondContact O-CB 3.32Å; L565-S569 PolarHBondContact O-N 3.4Å; L565-S569 PolarHBondContact O-OG 2.87Å; L565-F795 HydrophobicContact CD2-CD1 4.37Å; L565-F795 HydrophobicContact CD2-CE1 3.67Å; L565-F796 HydrophobicContact CD1-CD1 4.4Å; L565-F796 HydrophobicContact CD1-CE1 4.03Å; L565-F796 HydrophobicContact CD2-CD1 4.48Å; L565-F796 HydrophobicContact CD2-CE1 3.76Å |
| 566 | K | 98.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.9 | 176.2 | -110 | 164.1 | -160.5 | 0 | 111.4 | Q547 L562 N563 S564 S569 Q570 | Q547-K566 HydrophobicContact CB-CG 4.24Å; Q547-K566 VanDerWaalsContact OE1-CE 3.24Å; L562-K566 VanDerWaalsContact O-CB 3.29Å; L562-K566 WeakPolarHBondContact O-CB 3.39Å; L562-K566 PolarHBondContact O-N 3.49Å; N563-K566 PolarHBondContact O-N 3.42Å; S564-K566 VanDerWaalsContact C-N 3.31Å; S564-K566 PolarHBondContact O-N 3.35Å; K566-S569 PolarHBondContact O-N 3.07Å; K566-Q570 VanDerWaalsContact CE-OE1 3.25Å; K566-Q570 WeakPolarHBondContact O-CG 3.46Å; K566-Q570 PolarHBondContact O-N 2.93Å |
| 567 | E | 98.3 | Very high | 95 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 177.6 | -64.6 | -66 | 142.7 | 0 | 0 | 112.6 | N563 S564 Q570 A571 K599 | N563-E567 WeakPolarHBondContact O-CG 3.47Å; N563-E567 PolarHBondContact O-N 2.82Å; S564-E567 PolarHBondContact O-N 3.41Å; E567-Q570 PolarHBondContact O-N 3.37Å; E567-A571 PolarHBondContact O-N 3.08Å; E567-K599 HydrophobicContact CG-CB 4.16Å |
| 568 | F | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.5 | -59.4 | -31 | 0 | 0 | 0 | 112.1 | S564 L565 Q570 A571 E572 Y597 G600 L604 V621 F791 F795 | S564-F568 WeakPolarHBondContact O-CD2 3.47Å; S564-F568 WeakPolarHBondContact O-CG 3.33Å; S564-F568 PolarHBondContact O-N 3.09Å; L565-F568 PolarHBondContact O-N 2.95Å; F568-Q570 VanDerWaalsContact C-N 3.32Å; F568-Q570 PolarHBondContact O-N 3.34Å; F568-A571 WeakPolarHBondContact O-CB 3.22Å; F568-A571 PolarHBondContact O-N 2.65Å; F568-E572 PolarHBondContact O-N 3.02Å; F568-Y597 HydrophobicContact CB-CE1 4.17Å; F568-Y597 AromaticContact CD1-CD1 3.44Å; F568-Y597 HydrophobicContact CD1-CD1 3.44Å; F568-Y597 VanDerWaalsContact CD1-CD1 3.44Å; F568-Y597 AromaticContact CD1-CE1 3.62Å; F568-Y597 HydrophobicContact CD1-CE1 3.62Å; F568-Y597 AromaticContact CE1-CD1 3.92Å; F568-Y597 HydrophobicContact CE1-CD1 3.92Å; F568-Y597 HydrophobicContact CE1-CE1 4.36Å; F568-Y597 HydrophobicContact CG-CD1 4.39Å; F568-Y597 HydrophobicContact CG-CE1 4.14Å; F568-G600 VanDerWaalsContact CE1-CA 3.47Å; F568-L604 HydrophobicContact CE2-CD2 4.11Å; F568-L604 HydrophobicContact CZ-CB 4.16Å; F568-L604 HydrophobicContact CZ-CD2 3.99Å; F568-V621 HydrophobicContact CD1-CG1 4.31Å; F568-V621 HydrophobicContact CD2-CG2 4.38Å; F568-V621 HydrophobicContact CE1-CB 4.46Å; F568-V621 HydrophobicContact CE1-CG1 3.54Å; F568-V621 HydrophobicContact CE1-CG2 4.1Å; F568-V621 HydrophobicContact CE2-CG2 3.9Å; F568-V621 HydrophobicContact CZ-CB 4.32Å; F568-V621 HydrophobicContact CZ-CG1 3.8Å; F568-V621 HydrophobicContact CZ-CG2 3.74Å; F568-F791 HydrophobicContact CB-CZ 4.02Å; F568-F795 HydrophobicContact CD2-CZ 4.31Å; F568-F795 HydrophobicContact CE2-CZ 4.21Å |
| 569 | S | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -37 | 173.5 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | H539 S542 L565 K566 A571 Q573 | H539-S569 WeakPolarHBondContact CB-O 3.45Å; H539-S569 WeakPolarHBondContact O-CB 3.4Å; S542-S569 WeakPolarHBondContact OG-CB 3.3Å; S542-S569 PolarHBondContact OG-OG 3.44Å; L565-S569 WeakPolarHBondContact O-CB 3.32Å; L565-S569 PolarHBondContact O-N 3.4Å; L565-S569 PolarHBondContact O-OG 2.87Å; K566-S569 PolarHBondContact O-N 3.07Å; S569-A571 VanDerWaalsContact C-N 3.35Å; S569-Q573 WeakPolarHBondContact O-CB 3.38Å; S569-Q573 PolarHBondContact O-N 3.31Å |
| 570 | Q | 96.4 | Very high | 94 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 27% | 0.271 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 173 | -73.6 | -174.8 | -27.5 | 0 | 0 | 112.1 | S543 K566 E567 F568 Q573 C574 | S543-Q570 WeakPolarHBondContact OG-CG 3.48Å; K566-Q570 VanDerWaalsContact CE-OE1 3.25Å; K566-Q570 WeakPolarHBondContact O-CG 3.46Å; K566-Q570 PolarHBondContact O-N 2.93Å; E567-Q570 PolarHBondContact O-N 3.37Å; F568-Q570 VanDerWaalsContact C-N 3.32Å; F568-Q570 PolarHBondContact O-N 3.34Å; Q570-Q573 PolarHBondContact O-N 3.15Å; Q570-C574 PolarHBondContact O-N 2.85Å; Q570-C574 PolarHBondContact O-SG 3.21Å; Q570-C574 VanDerWaalsContact O-SG 3.35Å |
| 571 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E567 F568 S569 Q573 C574 A593 Y597 | E567-A571 PolarHBondContact O-N 3.08Å; F568-A571 WeakPolarHBondContact O-CB 3.22Å; F568-A571 PolarHBondContact O-N 2.65Å; S569-A571 VanDerWaalsContact C-N 3.35Å; A571-Q573 VanDerWaalsContact C-N 3.34Å; A571-C574 WeakPolarHBondContact O-CB 3.37Å; A571-C574 PolarHBondContact O-N 3.09Å; A571-A593 HydrophobicContact CB-CB 4.29Å; A571-A593 WeakPolarHBondContact CB-O 3.14Å; A571-A593 WeakPolarHBondContact O-CB 3.33Å; A571-Y597 HydrophobicContact CB-CD1 4.3Å; A571-Y597 HydrophobicContact CB-CD2 3.39Å; A571-Y597 HydrophobicContact CB-CE1 4.35Å; A571-Y597 HydrophobicContact CB-CE2 3.45Å; A571-Y597 VanDerWaalsContact CB-CE2 3.45Å; A571-Y597 HydrophobicContact CB-CG 3.82Å |
| 572 | E | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -31.1 | 178.1 | -67.8 | -63.6 | 138.4 | 0 | 0 | 112.2 | H539 F568 C574 L575 N576 Y597 R624 L789 F791 | H539-E572 HydrophobicContact CB-CB 4.17Å; H539-E572 VanDerWaalsContact CD2-CB 3.48Å; H539-E572 WeakPolarHBondContact CD2-CB 3.41Å; F568-E572 PolarHBondContact O-N 3.02Å; E572-C574 VanDerWaalsContact C-N 3.28Å; E572-C574 PolarHBondContact O-N 3.01Å; E572-L575 PolarHBondContact O-N 3.46Å; E572-L575 VanDerWaalsContact O-N 3.09Å; E572-N576 PolarHBondContact O-N 3.19Å; E572-Y597 VanDerWaalsContact CD-OH 3.23Å; E572-Y597 VanDerWaalsContact CG-OH 3.28Å; E572-Y597 WeakPolarHBondContact CG-OH 3.5Å; E572-Y597 WeakPolarHBondContact OE1-CE2 3.47Å; E572-Y597 PolarHBondContact OE1-OH 3.06Å; E572-R624 IonicContact OE1-CZ 2.89Å; E572-R624 IonicContact OE1-NE 3.76Å; E572-R624 PolarHBondContact OE1-NE 3.37Å; E572-R624 IonicContact OE1-NH2 3.39Å; E572-R624 PolarHBondContact OE1-NH2 3.47Å; E572-R624 VanDerWaalsContact OE1-NH2 3.08Å; E572-R624 IonicContact OE2-NH2 3.05Å; E572-R624 PolarHBondContact OE2-NH2 3.38Å; E572-R624 VanDerWaalsContact OE2-NH2 3.09Å; E572-L789 HydrophobicContact CG-CB 4.11Å; E572-L789 VanDerWaalsContact OE2-CB 3.25Å; E572-L789 WeakPolarHBondContact OE2-CB 3.3Å; E572-F791 HydrophobicContact CG-CE2 4.41Å |
| 573 | Q | 92.9 | Very high | 92.4 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -38.6 | 172.5 | 179 | -177 | -5 | 0 | 0 | 112.3 | H539 E540 S569 Q570 A571 L575 N576 | H539-Q573 HydrophobicContact CB-CB 4.46Å; E540-Q573 HydrophobicContact CB-CG 4.13Å; S569-Q573 WeakPolarHBondContact O-CB 3.38Å; S569-Q573 PolarHBondContact O-N 3.31Å; Q570-Q573 PolarHBondContact O-N 3.15Å; A571-Q573 VanDerWaalsContact C-N 3.34Å; Q573-L575 PolarHBondContact O-N 3Å; Q573-N576 PolarHBondContact O-N 3.44Å |
| 574 | C | 92.3 | Very high | 92 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -25.4 | 177.4 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | Q570 A571 E572 A593 | Q570-C574 PolarHBondContact O-N 2.85Å; Q570-C574 PolarHBondContact O-SG 3.21Å; Q570-C574 VanDerWaalsContact O-SG 3.35Å; A571-C574 WeakPolarHBondContact O-CB 3.37Å; A571-C574 PolarHBondContact O-N 3.09Å; E572-C574 VanDerWaalsContact C-N 3.28Å; E572-C574 PolarHBondContact O-N 3.01Å; C574-A593 HydrophobicContact CB-CB 4.37Å |
| 575 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -90.4 | -15.2 | -175.7 | -57.7 | 175.6 | 0 | 0 | 0 | 113.3 | E572 Q573 G577 L578 A589 I590 A593 L628 L785 | E572-L575 PolarHBondContact O-N 3.46Å; E572-L575 VanDerWaalsContact O-N 3.09Å; Q573-L575 PolarHBondContact O-N 3Å; L575-G577 VanDerWaalsContact C-N 3.3Å; L575-G577 PolarHBondContact O-N 3.31Å; L575-L578 WeakPolarHBondContact O-CG 3.16Å; L575-A589 HydrophobicContact CD2-CB 4.49Å; L575-I590 HydrophobicContact CD2-CG1 4.28Å; L575-A593 HydrophobicContact CD1-CB 4.34Å; L575-A593 HydrophobicContact CD2-CB 3.98Å; L575-A593 HydrophobicContact CG-CB 4.08Å; L575-L628 HydrophobicContact CD1-CD1 4.4Å; L575-L628 HydrophobicContact CD1-CD2 4.03Å; L575-L785 HydrophobicContact CD1-CD2 4.28Å |
| 576 | N | 84 | Confident | 91.3 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.8 | -175.3 | -77.9 | -5.5 | 0 | 0 | 0 | 114.3 | E572 Q573 | E572-N576 PolarHBondContact O-N 3.19Å; Q573-N576 PolarHBondContact O-N 3.44Å |
| 577 | G | 78.8 | Confident | 91 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 68% | 0.68 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 22 | -172 | 0 | 0 | 0 | 0 | 0 | 115.4 | L575 | L575-G577 VanDerWaalsContact C-N 3.3Å; L575-G577 PolarHBondContact O-N 3.31Å |
| 578 | L | 89.7 | Confident | 90.8 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 134.8 | -177.4 | -63.1 | 179.2 | 0 | 0 | 0 | 111.9 | L575 A586 A589 I782 L785 K786 | L575-L578 WeakPolarHBondContact O-CG 3.16Å; L578-A586 HydrophobicContact CD2-CB 4.14Å; L578-A589 HydrophobicContact CD2-CB 3.72Å; L578-I782 HydrophobicContact CB-CG2 4.29Å; L578-L785 HydrophobicContact CD1-CB 3.77Å; L578-L785 HydrophobicContact CD1-CD1 4.09Å; L578-K786 HydrophobicContact CB-CG 4.38Å; L578-K786 WeakPolarHBondContact O-CE 3.48Å |
| 579 | E | 88.5 | Confident | 90.7 | Very high | 145 Ų | 145 | 47.9 Ų | 47.9 | 68% | 0.678 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 149.4 | 173.8 | -65.1 | -172 | 174.8 | 0 | 0 | 111.2 | D582 | E579-D582 PolarHBondContact O-N 3.03Š|
| 580 | D | 87.1 | Confident | 90.7 | Very high | 119 Ų | 119 | 47.8 Ų | 47.8 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 137.2 | 177.8 | -64.5 | -47.2 | 0 | 0 | 0 | 110.8 | D582 K786 | D580-D582 PolarHBondContact O-N 3.2Å; D580-K786 IonicContact OD1-NZ 3.69Å; D580-K786 PolarHBondContact OD1-NZ 3.2Å; D580-K786 IonicContact OD2-NZ 3.1Å; D580-K786 PolarHBondContact OD2-NZ 3.17Å |
| 581 | G | 83.3 | Confident | 90.7 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -7.8 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | Y583 | G581-Y583 PolarHBondContact O-N 3.21Š|
| 582 | D | 89.3 | Confident | 90.7 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | trans | -92.4 | 78.2 | 175.1 | -166.3 | -12.8 | 0 | 0 | 0 | 112.6 | E579 D580 S584 A585 A586 | E579-D582 PolarHBondContact O-N 3.03Å; D580-D582 PolarHBondContact O-N 3.2Å; D582-S584 PolarHBondContact O-N 3.19Å; D582-S584 PolarHBondContact OD1-N 3.35Å; D582-S584 VanDerWaalsContact OD1-N 3.17Å; D582-A585 HydrophobicContact CB-CB 4.17Å; D582-A585 PolarHBondContact O-N 2.8Å; D582-A585 PolarHBondContact OD1-N 2.81Å; D582-A585 VanDerWaalsContact OD2-CB 3.27Å; D582-A585 WeakPolarHBondContact OD2-CB 3.14Å; D582-A586 PolarHBondContact O-N 3.18Å; D582-A586 VanDerWaalsContact O-N 3.13Å | ||
| 583 | Y | 89 | Confident | 90.8 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.3 | -22.4 | 179.8 | -47.2 | -40.8 | 0 | 0 | 0 | 113.5 | G581 M587 C778 D779 I782 | G581-Y583 PolarHBondContact O-N 3.21Å; Y583-M587 WeakPolarHBondContact O-CG 3.45Å; Y583-M587 PolarHBondContact O-N 3.08Å; Y583-M587 VanDerWaalsContact O-N 3.17Å; Y583-C778 HydrophobicContact CD1-CB 3.58Å; Y583-C778 HydrophobicContact CD2-CB 4.49Å; Y583-C778 HydrophobicContact CE1-CB 3.36Å; Y583-C778 HydrophobicContact CE2-CB 4.3Å; Y583-C778 HydrophobicContact CG-CB 4.17Å; Y583-D779 VanDerWaalsContact CE1-OD1 3.25Å; Y583-D779 WeakPolarHBondContact CE1-OD1 3.34Å; Y583-D779 PolarHBondContact OH-OD1 3.48Å; Y583-I782 HydrophobicContact CD1-CD1 3.74Å; Y583-I782 HydrophobicContact CE1-CD1 3.96Å |
| 584 | S | 88.3 | Confident | 91.1 | Very high | 87 Ų | 87 | 49 Ų | 49 | 61% | 0.608 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -78.6 | -43.5 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | D582 A586 M587 T588 | D582-S584 PolarHBondContact O-N 3.19Å; D582-S584 PolarHBondContact OD1-N 3.35Å; D582-S584 VanDerWaalsContact OD1-N 3.17Å; S584-A586 VanDerWaalsContact C-N 3.32Å; S584-M587 PolarHBondContact O-N 3.42Å; S584-T588 PolarHBondContact O-N 3.05Å; S584-T588 VanDerWaalsContact O-N 3.14Å; S584-T588 PolarHBondContact O-OG1 3.05Å |
| 585 | A | 90.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 54 Ų | 54 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D582 M587 T588 A589 | D582-A585 HydrophobicContact CB-CB 4.17Å; D582-A585 PolarHBondContact O-N 2.8Å; D582-A585 PolarHBondContact OD1-N 2.81Å; D582-A585 VanDerWaalsContact OD2-CB 3.27Å; D582-A585 WeakPolarHBondContact OD2-CB 3.14Å; A585-M587 PolarHBondContact O-N 2.85Å; A585-T588 PolarHBondContact O-N 2.76Å; A585-T588 VanDerWaalsContact O-N 3.13Å; A585-A589 WeakPolarHBondContact O-CB 3.41Å; A585-A589 PolarHBondContact O-N 3.36Å |
| 586 | A | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L578 D582 S584 T588 A589 I590 I635 I782 | L578-A586 HydrophobicContact CD2-CB 4.14Å; D582-A586 PolarHBondContact O-N 3.18Å; D582-A586 VanDerWaalsContact O-N 3.13Å; S584-A586 VanDerWaalsContact C-N 3.32Å; A586-T588 VanDerWaalsContact C-N 3.32Å; A586-T588 PolarHBondContact O-N 2.94Å; A586-A589 PolarHBondContact O-N 3.29Å; A586-I590 WeakPolarHBondContact O-CD1 3.18Å; A586-I590 WeakPolarHBondContact O-CG1 3.49Å; A586-I590 PolarHBondContact O-N 3.02Å; A586-I635 HydrophobicContact CB-CD1 4.4Å; A586-I782 HydrophobicContact CB-CD1 4.38Å; A586-I782 HydrophobicContact CB-CG1 4.2Å |
| 587 | M | 92.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 21% | 0.207 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.3 | -78.5 | -66.4 | -62.5 | 0 | 0 | 113.2 | Y583 S584 A585 A591 S632 I635 C636 | Y583-M587 WeakPolarHBondContact O-CG 3.45Å; Y583-M587 PolarHBondContact O-N 3.08Å; Y583-M587 VanDerWaalsContact O-N 3.17Å; S584-M587 PolarHBondContact O-N 3.42Å; A585-M587 PolarHBondContact O-N 2.85Å; M587-A591 WeakPolarHBondContact O-CB 3.22Å; M587-A591 PolarHBondContact O-N 3.45Å; M587-S632 WeakPolarHBondContact CE-OG 3.34Å; M587-S632 VanDerWaalsContact SD-O 3.4Å; M587-S632 PolarHBondContact SD-OG 3.45Å; M587-I635 HydrophobicContact CG-CB 4.29Å; M587-I635 HydrophobicContact CG-CG2 3.66Å; M587-I635 HydrophobicContact SD-CB 3.76Å; M587-I635 HydrophobicContact SD-CD1 4.28Å; M587-I635 HydrophobicContact SD-CG2 3.81Å; M587-C636 WeakPolarHBondContact CE-SG 3.43Å |
| 588 | T | 94.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 178.3 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | S584 A585 A586 I590 A591 E592 | S584-T588 PolarHBondContact O-N 3.05Å; S584-T588 VanDerWaalsContact O-N 3.14Å; S584-T588 PolarHBondContact O-OG1 3.05Å; A585-T588 PolarHBondContact O-N 2.76Å; A585-T588 VanDerWaalsContact O-N 3.13Å; A586-T588 VanDerWaalsContact C-N 3.32Å; A586-T588 PolarHBondContact O-N 2.94Å; T588-I590 PolarHBondContact O-N 3.41Å; T588-A591 PolarHBondContact O-N 3.14Å; T588-E592 WeakPolarHBondContact O-CG 3.47Å; T588-E592 PolarHBondContact O-N 2.65Å |
| 589 | A | 95.3 | Very high | 93.6 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L575 L578 A585 A586 A591 E592 A593 | L575-A589 HydrophobicContact CD2-CB 4.49Å; L578-A589 HydrophobicContact CD2-CB 3.72Å; A585-A589 WeakPolarHBondContact O-CB 3.41Å; A585-A589 PolarHBondContact O-N 3.36Å; A586-A589 PolarHBondContact O-N 3.29Å; A589-A591 PolarHBondContact O-N 3.1Å; A589-E592 PolarHBondContact O-N 2.9Å; A589-A593 WeakPolarHBondContact O-CB 3.38Å; A589-A593 PolarHBondContact O-N 3.25Å |
| 590 | I | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.7 | -64.5 | 162 | 0 | 0 | 0 | 110.7 | L575 A586 T588 E592 A593 L594 L628 I635 L785 | L575-I590 HydrophobicContact CD2-CG1 4.28Å; A586-I590 WeakPolarHBondContact O-CD1 3.18Å; A586-I590 WeakPolarHBondContact O-CG1 3.49Å; A586-I590 PolarHBondContact O-N 3.02Å; T588-I590 PolarHBondContact O-N 3.41Å; I590-E592 VanDerWaalsContact C-N 3.34Å; I590-E592 PolarHBondContact O-N 2.8Å; I590-A593 PolarHBondContact O-N 3.11Å; I590-L594 HydrophobicContact CG2-CD1 3.88Å; I590-L594 HydrophobicContact CG2-CG 4.19Å; I590-L594 WeakPolarHBondContact O-CB 3.41Å; I590-L594 VanDerWaalsContact O-CG 3.26Å; I590-L594 WeakPolarHBondContact O-CG 3.33Å; I590-L594 PolarHBondContact O-N 3.08Å; I590-L628 HydrophobicContact CG2-CB 4.21Å; I590-I635 HydrophobicContact CD1-CD1 4Å; I590-L785 HydrophobicContact CD1-CD1 3.76Å; I590-L785 HydrophobicContact CG1-CD1 3.9Å |
| 591 | A | 96.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M587 T588 A589 R595 | M587-A591 WeakPolarHBondContact O-CB 3.22Å; M587-A591 PolarHBondContact O-N 3.45Å; T588-A591 PolarHBondContact O-N 3.14Å; A589-A591 PolarHBondContact O-N 3.1Å; A591-R595 PolarHBondContact O-N 3.09Å; A591-R595 VanDerWaalsContact O-N 3.08Å |
| 592 | E | 96.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 174 | -70 | -174.8 | 171.9 | 0 | 0 | 112.3 | T588 A589 I590 L594 R595 S596 | T588-E592 WeakPolarHBondContact O-CG 3.47Å; T588-E592 PolarHBondContact O-N 2.65Å; A589-E592 PolarHBondContact O-N 2.9Å; I590-E592 VanDerWaalsContact C-N 3.34Å; I590-E592 PolarHBondContact O-N 2.8Å; E592-L594 VanDerWaalsContact C-N 3.35Å; E592-L594 PolarHBondContact O-N 3.43Å; E592-R595 WeakPolarHBondContact O-CB 3.48Å; E592-R595 PolarHBondContact O-N 3.19Å; E592-S596 PolarHBondContact O-N 3.17Å; E592-S596 PolarHBondContact O-OG 3.05Å |
| 593 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A571 C574 L575 A589 I590 R595 S596 Y597 L628 | A571-A593 HydrophobicContact CB-CB 4.29Å; A571-A593 WeakPolarHBondContact CB-O 3.14Å; A571-A593 WeakPolarHBondContact O-CB 3.33Å; C574-A593 HydrophobicContact CB-CB 4.37Å; L575-A593 HydrophobicContact CD1-CB 4.34Å; L575-A593 HydrophobicContact CD2-CB 3.98Å; L575-A593 HydrophobicContact CG-CB 4.08Å; A589-A593 WeakPolarHBondContact O-CB 3.38Å; A589-A593 PolarHBondContact O-N 3.25Å; I590-A593 PolarHBondContact O-N 3.11Å; A593-R595 VanDerWaalsContact C-N 3.33Å; A593-R595 PolarHBondContact O-N 2.95Å; A593-S596 PolarHBondContact O-N 3.09Å; A593-Y597 WeakPolarHBondContact O-CB 3.48Å; A593-Y597 WeakPolarHBondContact O-CD2 3.42Å; A593-Y597 PolarHBondContact O-N 2.78Å; A593-L628 HydrophobicContact CB-CD1 4.38Å |
| 594 | L | 98.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.4 | -75.8 | 172.3 | 0 | 0 | 0 | 111.9 | I590 E592 S596 Y597 Q598 I625 L628 Q629 | I590-L594 HydrophobicContact CG2-CD1 3.88Å; I590-L594 HydrophobicContact CG2-CG 4.19Å; I590-L594 WeakPolarHBondContact O-CB 3.41Å; I590-L594 VanDerWaalsContact O-CG 3.26Å; I590-L594 WeakPolarHBondContact O-CG 3.33Å; I590-L594 PolarHBondContact O-N 3.08Å; E592-L594 VanDerWaalsContact C-N 3.35Å; E592-L594 PolarHBondContact O-N 3.43Å; L594-S596 PolarHBondContact O-N 2.96Å; L594-Y597 PolarHBondContact O-N 3.24Å; L594-Q598 WeakPolarHBondContact O-CB 3.08Å; L594-Q598 WeakPolarHBondContact O-CG 3.36Å; L594-Q598 PolarHBondContact O-N 2.86Å; L594-I625 HydrophobicContact CD2-CG2 4.01Å; L594-L628 HydrophobicContact CD2-CB 3.79Å; L594-L628 HydrophobicContact CD2-CD1 4.47Å; L594-L628 HydrophobicContact CG-CB 4.24Å; L594-Q629 HydrophobicContact CD1-CG 3.86Å; L594-Q629 HydrophobicContact CD2-CG 3.75Å; L594-Q629 HydrophobicContact CG-CG 4.49Å |
| 595 | R | 98.1 | Very high | 96.6 | Very high | 143 Ų | 143 | 41 Ų | 41 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 176.6 | -172.9 | -170.2 | -61.7 | 137 | 1 | 111.6 | A591 E592 A593 K599 | A591-R595 PolarHBondContact O-N 3.09Å; A591-R595 VanDerWaalsContact O-N 3.08Å; E592-R595 WeakPolarHBondContact O-CB 3.48Å; E592-R595 PolarHBondContact O-N 3.19Å; A593-R595 VanDerWaalsContact C-N 3.33Å; A593-R595 PolarHBondContact O-N 2.95Å; R595-K599 WeakPolarHBondContact O-CG 3.26Å; R595-K599 PolarHBondContact O-N 3.35Å |
| 596 | S | 98.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 12% | 0.119 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 178.1 | -62 | 0 | 0 | 0 | 0 | 111.3 | E592 A593 L594 Q598 K599 G600 | E592-S596 PolarHBondContact O-N 3.17Å; E592-S596 PolarHBondContact O-OG 3.05Å; A593-S596 PolarHBondContact O-N 3.09Å; L594-S596 PolarHBondContact O-N 2.96Å; S596-Q598 VanDerWaalsContact C-N 3.35Å; S596-Q598 PolarHBondContact O-N 3.26Å; S596-K599 WeakPolarHBondContact O-CB 3.36Å; S596-K599 PolarHBondContact O-N 3.47Å; S596-G600 PolarHBondContact O-N 2.9Å |
| 597 | Y | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 174.7 | -91.9 | -58.2 | 0 | 0 | 0 | 113.3 | F568 A571 E572 A593 L594 K599 G600 I601 V621 R624 I625 L628 | F568-Y597 HydrophobicContact CB-CE1 4.17Å; F568-Y597 AromaticContact CD1-CD1 3.44Å; F568-Y597 HydrophobicContact CD1-CD1 3.44Å; F568-Y597 VanDerWaalsContact CD1-CD1 3.44Å; F568-Y597 AromaticContact CD1-CE1 3.62Å; F568-Y597 HydrophobicContact CD1-CE1 3.62Å; F568-Y597 AromaticContact CE1-CD1 3.92Å; F568-Y597 HydrophobicContact CE1-CD1 3.92Å; F568-Y597 HydrophobicContact CE1-CE1 4.36Å; F568-Y597 HydrophobicContact CG-CD1 4.39Å; F568-Y597 HydrophobicContact CG-CE1 4.14Å; A571-Y597 HydrophobicContact CB-CD1 4.3Å; A571-Y597 HydrophobicContact CB-CD2 3.39Å; A571-Y597 HydrophobicContact CB-CE1 4.35Å; A571-Y597 HydrophobicContact CB-CE2 3.45Å; A571-Y597 VanDerWaalsContact CB-CE2 3.45Å; A571-Y597 HydrophobicContact CB-CG 3.82Å; E572-Y597 VanDerWaalsContact CD-OH 3.23Å; E572-Y597 VanDerWaalsContact CG-OH 3.28Å; E572-Y597 WeakPolarHBondContact CG-OH 3.5Å; E572-Y597 WeakPolarHBondContact OE1-CE2 3.47Å; E572-Y597 PolarHBondContact OE1-OH 3.06Å; A593-Y597 WeakPolarHBondContact O-CB 3.48Å; A593-Y597 WeakPolarHBondContact O-CD2 3.42Å; A593-Y597 PolarHBondContact O-N 2.78Å; L594-Y597 PolarHBondContact O-N 3.24Å; Y597-K599 PolarHBondContact O-N 3.47Å; Y597-G600 CarbonylContact O-C 3.58Å; Y597-G600 PolarHBondContact O-N 3.38Å; Y597-G600 VanDerWaalsContact O-N 3.15Å; Y597-I601 WeakPolarHBondContact O-CG2 3.42Å; Y597-I601 PolarHBondContact O-N 2.93Å; Y597-V621 HydrophobicContact CD1-CG1 3.97Å; Y597-V621 HydrophobicContact CE1-CG1 4.37Å; Y597-R624 HydrophobicContact CE1-CG 4.4Å; Y597-R624 HydrophobicContact CE2-CG 4.06Å; Y597-I625 HydrophobicContact CD1-CG1 4.43Å; Y597-I625 HydrophobicContact CG-CG1 4.07Å; Y597-L628 HydrophobicContact CD2-CD1 3.72Å; Y597-L628 HydrophobicContact CE2-CD1 3.68Å |
| 598 | Q | 98.1 | Very high | 97.1 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.3 | -72.3 | -66.9 | -13.1 | 0 | 0 | 112.2 | L594 S596 I601 A602 | L594-Q598 WeakPolarHBondContact O-CB 3.08Å; L594-Q598 WeakPolarHBondContact O-CG 3.36Å; L594-Q598 PolarHBondContact O-N 2.86Å; S596-Q598 VanDerWaalsContact C-N 3.35Å; S596-Q598 PolarHBondContact O-N 3.26Å; Q598-I601 VanDerWaalsContact O-CG2 3.32Å; Q598-I601 WeakPolarHBondContact O-CG2 3.47Å; Q598-A602 WeakPolarHBondContact O-CB 3.49Å; Q598-A602 PolarHBondContact O-N 3.21Å |
| 599 | K | 98.1 | Very high | 96.9 | Very high | 115 Ų | 115 | 39.7 Ų | 39.7 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -42.7 | 170.8 | -68.9 | 173.8 | -179.3 | 177.8 | 0 | 111.6 | E567 R595 S596 Y597 A602 S603 | E567-K599 HydrophobicContact CG-CB 4.16Å; R595-K599 WeakPolarHBondContact O-CG 3.26Å; R595-K599 PolarHBondContact O-N 3.35Å; S596-K599 WeakPolarHBondContact O-CB 3.36Å; S596-K599 PolarHBondContact O-N 3.47Å; Y597-K599 PolarHBondContact O-N 3.47Å; K599-A602 PolarHBondContact O-N 3.04Å; K599-S603 WeakPolarHBondContact O-CB 3.4Å; K599-S603 PolarHBondContact O-N 3.49Å |
| 600 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S564 F568 S596 Y597 A602 S603 L604 | S564-G600 VanDerWaalsContact CB-O 3.28Å; S564-G600 WeakPolarHBondContact CB-O 3.34Å; F568-G600 VanDerWaalsContact CE1-CA 3.47Å; S596-G600 PolarHBondContact O-N 2.9Å; Y597-G600 CarbonylContact O-C 3.58Å; Y597-G600 PolarHBondContact O-N 3.38Å; Y597-G600 VanDerWaalsContact O-N 3.15Å; G600-A602 PolarHBondContact O-N 3.22Å; G600-S603 WeakPolarHBondContact O-CB 3.4Å; G600-S603 PolarHBondContact O-N 2.82Å; G600-L604 WeakPolarHBondContact O-CB 3.32Å; G600-L604 PolarHBondContact O-N 3.43Å |
| 601 | I | 98.1 | Very high | 95.7 | Very high | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -179.7 | -170.3 | 58.4 | 0 | 0 | 0 | 112.1 | Y597 Q598 L604 T605 C618 V621 K622 I625 | Y597-I601 WeakPolarHBondContact O-CG2 3.42Å; Y597-I601 PolarHBondContact O-N 2.93Å; Q598-I601 VanDerWaalsContact O-CG2 3.32Å; Q598-I601 WeakPolarHBondContact O-CG2 3.47Å; I601-L604 HydrophobicContact CD1-CD2 4.05Å; I601-L604 PolarHBondContact O-N 2.64Å; I601-T605 WeakPolarHBondContact O-CB 3.29Å; I601-T605 PolarHBondContact O-N 3.18Å; I601-T605 PolarHBondContact O-OG1 3.1Å; I601-C618 HydrophobicContact CD1-CB 4.18Å; I601-V621 HydrophobicContact CB-CG1 4.15Å; I601-V621 HydrophobicContact CD1-CB 4.26Å; I601-V621 HydrophobicContact CD1-CG1 4.09Å; I601-V621 HydrophobicContact CG1-CG1 4.48Å; I601-K622 HydrophobicContact CD1-CG 4.4Å; I601-K622 HydrophobicContact CG1-CG 4.38Å; I601-I625 HydrophobicContact CB-CD1 4.24Å; I601-I625 HydrophobicContact CG2-CD1 3.98Å |
| 602 | A | 98 | Very high | 95.1 | Very high | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q598 K599 G600 T605 A606 | Q598-A602 WeakPolarHBondContact O-CB 3.49Å; Q598-A602 PolarHBondContact O-N 3.21Å; K599-A602 PolarHBondContact O-N 3.04Å; G600-A602 PolarHBondContact O-N 3.22Å; A602-T605 PolarHBondContact O-N 3.22Å; A602-A606 PolarHBondContact O-N 3.18Å; A602-A606 VanDerWaalsContact O-N 3.15Å |
| 603 | S | 97.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.7 | -167.1 | 0 | 0 | 0 | 0 | 112 | F560 N563 K599 G600 T605 A606 A607 | F560-S603 WeakPolarHBondContact CB-O 3.32Å; F560-S603 PolarHBondContact O-OG 3.15Å; N563-S603 PolarHBondContact ND2-OG 2.99Å; K599-S603 WeakPolarHBondContact O-CB 3.4Å; K599-S603 PolarHBondContact O-N 3.49Å; G600-S603 WeakPolarHBondContact O-CB 3.4Å; G600-S603 PolarHBondContact O-N 2.82Å; S603-T605 VanDerWaalsContact C-N 3.33Å; S603-T605 PolarHBondContact O-N 2.86Å; S603-A606 WeakPolarHBondContact O-CB 3.4Å; S603-A606 PolarHBondContact O-N 3.28Å; S603-A607 PolarHBondContact O-N 3.31Å |
| 604 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 179.4 | -178 | 64.9 | 0 | 0 | 0 | 111.7 | W561 F568 G600 I601 A606 A607 S608 L614 Q617 | W561-L604 HydrophobicContact CE3-CD1 3.59Å; W561-L604 HydrophobicContact CZ3-CD1 3.54Å; F568-L604 HydrophobicContact CE2-CD2 4.11Å; F568-L604 HydrophobicContact CZ-CB 4.16Å; F568-L604 HydrophobicContact CZ-CD2 3.99Å; G600-L604 WeakPolarHBondContact O-CB 3.32Å; G600-L604 PolarHBondContact O-N 3.43Å; I601-L604 HydrophobicContact CD1-CD2 4.05Å; I601-L604 PolarHBondContact O-N 2.64Å; L604-A606 VanDerWaalsContact C-N 3.3Å; L604-A606 PolarHBondContact O-N 2.86Å; L604-A607 WeakPolarHBondContact O-CB 3.39Å; L604-A607 PolarHBondContact O-N 3.16Å; L604-A607 VanDerWaalsContact O-N 3.1Å; L604-S608 PolarHBondContact O-N 3.44Å; L604-S608 VanDerWaalsContact O-N 3.1Å; L604-L614 HydrophobicContact CD1-CB 4.46Å; L604-L614 HydrophobicContact CD1-CD1 3.65Å; L604-Q617 HydrophobicContact CD1-CB 4.37Å; L604-Q617 HydrophobicContact CD2-CB 3.81Å |
| 605 | T | 96.7 | Very high | 94.4 | Very high | 80 Ų | 80 | 54 Ų | 54 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 176.6 | -54 | 0 | 0 | 0 | 0 | 111 | I601 A602 S603 A607 S608 | I601-T605 WeakPolarHBondContact O-CB 3.29Å; I601-T605 PolarHBondContact O-N 3.18Å; I601-T605 PolarHBondContact O-OG1 3.1Å; A602-T605 PolarHBondContact O-N 3.22Å; S603-T605 VanDerWaalsContact C-N 3.33Å; S603-T605 PolarHBondContact O-N 2.86Å; T605-A607 VanDerWaalsContact C-N 3.31Å; T605-A607 PolarHBondContact O-N 3.38Å; T605-S608 WeakPolarHBondContact O-CB 3.46Å; T605-S608 PolarHBondContact O-N 2.89Å |
| 606 | A | 95.8 | Very high | 94.3 | Very high | 49 Ų | 49 | 48 Ų | 48 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -25.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F560 A602 S603 L604 | F560-A606 HydrophobicContact CD1-CB 4.11Å; F560-A606 HydrophobicContact CD2-CB 4.21Å; F560-A606 HydrophobicContact CE1-CB 4.36Å; F560-A606 HydrophobicContact CE2-CB 4.47Å; F560-A606 HydrophobicContact CG-CB 4.04Å; A602-A606 PolarHBondContact O-N 3.18Å; A602-A606 VanDerWaalsContact O-N 3.15Å; S603-A606 WeakPolarHBondContact O-CB 3.4Å; S603-A606 PolarHBondContact O-N 3.28Å; L604-A606 VanDerWaalsContact C-N 3.3Å; L604-A606 PolarHBondContact O-N 2.86Å |
| 607 | A | 95.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.4 | -25.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | H557 F560 W561 S603 L604 T605 L614 | H557-A607 WeakPolarHBondContact O-CB 3.36Å; F560-A607 HydrophobicContact CB-CB 3.75Å; W561-A607 HydrophobicContact CB-CB 4.29Å; S603-A607 PolarHBondContact O-N 3.31Å; L604-A607 WeakPolarHBondContact O-CB 3.39Å; L604-A607 PolarHBondContact O-N 3.16Å; L604-A607 VanDerWaalsContact O-N 3.1Å; T605-A607 VanDerWaalsContact C-N 3.31Å; T605-A607 PolarHBondContact O-N 3.38Å; A607-L614 HydrophobicContact CB-CD1 4.02Å |
| 608 | S | 94 | Very high | 94.3 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | trans | -73.6 | 135.1 | -177.9 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | L604 T605 L614 | L604-S608 PolarHBondContact O-N 3.44Å; L604-S608 VanDerWaalsContact O-N 3.1Å; T605-S608 WeakPolarHBondContact O-CB 3.46Å; T605-S608 PolarHBondContact O-N 2.89Å; S608-L614 PolarHBondContact OG-N 2.89Å; S608-L614 VanDerWaalsContact OG-N 3.09Å | ||
| 609 | T | 91.2 | Very high | 94.3 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -125.9 | 160 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | H557 L611 S612 P613 | H557-T609 WeakPolarHBondContact CE1-CG2 3.41Å; T609-L611 PolarHBondContact O-N 2.93Å; T609-S612 PolarHBondContact N-O 3.39Å; T609-S612 CarbonylContact O-C 3.59Å; T609-S612 PolarHBondContact O-N 3.34Å; T609-S612 PolarHBondContact OG1-N 3.4Å; T609-S612 VanDerWaalsContact OG1-N 3.08Å; T609-P613 WeakPolarHBondContact O-CA 3.27Å; T609-P613 VanDerWaalsContact O-N 3.08Å | ||
| 610 | P | 86.7 | Confident | 94.3 | Very high | 135 Ų | 135 | 42.4 Ų | 42.4 | 88% | 0.877 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -57.8 | -27.9 | 172.8 | -26 | 35.6 | 0 | 0 | 0 | 113.6 | ||
| 611 | L | 78.6 | Confident | 94.3 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.8 | -29.9 | -178.9 | -61.8 | 172.2 | 0 | 0 | 0 | 113 | Y15 T609 | Y15-L611 VanDerWaalsContact O-CD1 3.25Å; Y15-L611 WeakPolarHBondContact O-CD1 3.44Å; T609-L611 PolarHBondContact O-N 2.93Å |
| 612 | S | 84.3 | Confident | 94.3 | Very high | 71 Ų | 71 | 46 Ų | 46 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -137.1 | 75.8 | 177 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | T609 | T609-S612 PolarHBondContact N-O 3.39Å; T609-S612 CarbonylContact O-C 3.59Å; T609-S612 PolarHBondContact O-N 3.34Å; T609-S612 PolarHBondContact OG1-N 3.4Å; T609-S612 VanDerWaalsContact OG1-N 3.08Å |
| 613 | P | 90.1 | Very high | 94.3 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | trans | -69.4 | 134.1 | -179.2 | 28 | -33.9 | 0 | 0 | 0 | 110.4 | T609 S615 | T609-P613 WeakPolarHBondContact O-CA 3.27Å; T609-P613 VanDerWaalsContact O-N 3.08Å; P613-S615 VanDerWaalsContact C-N 3.32Å; P613-S615 PolarHBondContact O-N 3.35Å | ||
| 614 | L | 94.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | trans | -98.6 | 45.2 | 177.2 | -58.6 | 176.8 | 0 | 0 | 0 | 111 | W561 L604 A607 S608 Q617 C618 | W561-L614 HydrophobicContact CE3-CD1 3.99Å; W561-L614 HydrophobicContact CZ3-CD1 4.24Å; L604-L614 HydrophobicContact CD1-CB 4.46Å; L604-L614 HydrophobicContact CD1-CD1 3.65Å; A607-L614 HydrophobicContact CB-CD1 4.02Å; S608-L614 PolarHBondContact OG-N 2.89Å; S608-L614 VanDerWaalsContact OG-N 3.09Å; L614-Q617 VanDerWaalsContact C-OE1 3.25Å; L614-Q617 VanDerWaalsContact CA-OE1 3.32Å; L614-Q617 HydrophobicContact CB-CB 4.46Å; L614-Q617 PolarHBondContact O-N 2.91Å; L614-Q617 PolarHBondContact O-OE1 3.34Å; L614-C618 WeakPolarHBondContact O-CB 3.37Å; L614-C618 PolarHBondContact O-N 3Å; L614-C618 PolarHBondContact O-SG 2.93Å | ||
| 615 | S | 93.3 | Very high | 94.4 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -52.3 | -171.6 | 26 | 0 | 0 | 0 | 0 | 112.4 | P613 Q617 C618 D619 | P613-S615 VanDerWaalsContact C-N 3.32Å; P613-S615 PolarHBondContact O-N 3.35Å; S615-Q617 VanDerWaalsContact C-N 3.32Å; S615-Q617 PolarHBondContact O-N 3.44Å; S615-C618 PolarHBondContact O-N 2.72Å; S615-D619 WeakPolarHBondContact O-CB 3.41Å; S615-D619 VanDerWaalsContact O-CG 3.31Å; S615-D619 PolarHBondContact O-N 3.39Å |
| 616 | Y | 96.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.9 | -47.1 | 177.6 | 174.6 | -94.7 | 0 | 0 | 0 | 112 | C618 D619 F620 L688 S692 T699 Y794 F795 | Y616-C618 PolarHBondContact O-N 3.46Å; Y616-D619 PolarHBondContact O-N 3.18Å; Y616-F620 HydrophobicContact CE1-CB 4.38Å; Y616-F620 WeakPolarHBondContact O-CB 3.19Å; Y616-F620 PolarHBondContact O-N 3.22Å; Y616-L688 HydrophobicContact CD2-CD1 3.79Å; Y616-L688 HydrophobicContact CD2-CG 4.4Å; Y616-L688 HydrophobicContact CE2-CD1 4.04Å; Y616-L688 HydrophobicContact CE2-CD2 4.19Å; Y616-L688 HydrophobicContact CE2-CG 4.15Å; Y616-S692 WeakPolarHBondContact CD2-OG 3.34Å; Y616-S692 WeakPolarHBondContact CE2-OG 3.39Å; Y616-T699 HydrophobicContact CE1-CG2 4.39Å; Y616-T699 HydrophobicContact CE2-CG2 4.34Å; Y616-T699 WeakPolarHBondContact OH-CG2 3.13Å; Y616-Y794 AromaticContact CD1-CD1 3.67Å; Y616-Y794 HydrophobicContact CD1-CD1 3.67Å; Y616-Y794 AromaticContact CD1-CE1 3.99Å; Y616-Y794 HydrophobicContact CD1-CE1 3.99Å; Y616-Y794 AromaticContact CD2-CD1 3.87Å; Y616-Y794 HydrophobicContact CD2-CD1 3.87Å; Y616-Y794 AromaticContact CD2-CE1 3.67Å; Y616-Y794 HydrophobicContact CD2-CE1 3.67Å; Y616-Y794 AromaticContact CE1-CD1 3.82Å; Y616-Y794 HydrophobicContact CE1-CD1 3.82Å; Y616-Y794 AromaticContact CE2-CD1 3.98Å; Y616-Y794 HydrophobicContact CE2-CD1 3.98Å; Y616-Y794 HydrophobicContact CE2-CE1 4.2Å; Y616-Y794 AromaticContact CG-CD1 3.72Å; Y616-Y794 HydrophobicContact CG-CD1 3.72Å; Y616-Y794 AromaticContact CG-CE1 3.57Å; Y616-Y794 HydrophobicContact CG-CE1 3.57Å; Y616-Y794 AromaticContact CZ-CD1 3.99Å; Y616-F795 HydrophobicContact CE1-CB 4.49Å; Y616-F795 HydrophobicContact CE1-CD2 4.2Å |
| 617 | Q | 98.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | -178.5 | -63 | 80.6 | -1.5 | 0 | 0 | 111 | W561 L604 L614 S615 V621 F795 | W561-Q617 HydrophobicContact CH2-CG 4.16Å; W561-Q617 HydrophobicContact CZ3-CG 4.13Å; L604-Q617 HydrophobicContact CD1-CB 4.37Å; L604-Q617 HydrophobicContact CD2-CB 3.81Å; L614-Q617 VanDerWaalsContact C-OE1 3.25Å; L614-Q617 VanDerWaalsContact CA-OE1 3.32Å; L614-Q617 HydrophobicContact CB-CB 4.46Å; L614-Q617 PolarHBondContact O-N 2.91Å; L614-Q617 PolarHBondContact O-OE1 3.34Å; S615-Q617 VanDerWaalsContact C-N 3.32Å; S615-Q617 PolarHBondContact O-N 3.44Å; Q617-V621 WeakPolarHBondContact O-CB 3.29Å; Q617-V621 VanDerWaalsContact O-CG2 3.22Å; Q617-V621 WeakPolarHBondContact O-CG2 3.28Å; Q617-V621 PolarHBondContact O-N 3.42Å; Q617-V621 VanDerWaalsContact O-N 3.08Å; Q617-F795 HydrophobicContact CB-CD2 4.29Å; Q617-F795 HydrophobicContact CB-CE2 3.78Å; Q617-F795 HydrophobicContact CB-CZ 3.95Å; Q617-F795 HydrophobicContact CG-CD1 4.27Å; Q617-F795 HydrophobicContact CG-CD2 3.91Å; Q617-F795 HydrophobicContact CG-CE1 4.2Å; Q617-F795 HydrophobicContact CG-CE2 3.84Å; Q617-F795 HydrophobicContact CG-CG 4.12Å; Q617-F795 HydrophobicContact CG-CZ 3.99Å; Q617-F795 WeakPolarHBondContact CG-O 3.46Å; Q617-F795 PolarHBondContact NE2-O 2.93Å |
| 618 | C | 97.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 9% | 0.088 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.6 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | I601 L614 S615 Y616 V621 K622 | I601-C618 HydrophobicContact CD1-CB 4.18Å; L614-C618 WeakPolarHBondContact O-CB 3.37Å; L614-C618 PolarHBondContact O-N 3Å; L614-C618 PolarHBondContact O-SG 2.93Å; S615-C618 PolarHBondContact O-N 2.72Å; Y616-C618 PolarHBondContact O-N 3.46Å; C618-V621 PolarHBondContact O-N 3.13Å; C618-K622 WeakPolarHBondContact O-CB 3.43Å; C618-K622 VanDerWaalsContact O-CG 3.22Å; C618-K622 WeakPolarHBondContact O-CG 3.33Å; C618-K622 PolarHBondContact O-N 2.72Å |
| 619 | D | 97.7 | Very high | 94.8 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.9 | -41 | -176.2 | -64.9 | -24.4 | 0 | 0 | 0 | 111.5 | S615 Y616 V621 K622 L623 L688 | S615-D619 WeakPolarHBondContact O-CB 3.41Å; S615-D619 VanDerWaalsContact O-CG 3.31Å; S615-D619 PolarHBondContact O-N 3.39Å; Y616-D619 PolarHBondContact O-N 3.18Å; D619-V621 PolarHBondContact O-N 2.99Å; D619-K622 PolarHBondContact O-N 2.49Å; D619-K622 IonicContact OD1-NZ 2.85Å; D619-L623 WeakPolarHBondContact O-CG 3.48Å; D619-L623 PolarHBondContact O-N 3.44Å; D619-L688 HydrophobicContact CB-CD1 4.08Å |
| 620 | F | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.6 | -179.2 | -99.1 | 0 | 0 | 0 | 112.3 | Y616 L623 R624 L688 L789 F791 F795 | Y616-F620 HydrophobicContact CE1-CB 4.38Å; Y616-F620 WeakPolarHBondContact O-CB 3.19Å; Y616-F620 PolarHBondContact O-N 3.22Å; F620-L623 PolarHBondContact O-N 3.08Å; F620-R624 PolarHBondContact O-N 3.44Å; F620-L688 HydrophobicContact CB-CD2 4.01Å; F620-L688 HydrophobicContact CD2-CD2 4.02Å; F620-L789 HydrophobicContact CE1-CD2 4.12Å; F620-L789 HydrophobicContact CZ-CD1 4.29Å; F620-L789 HydrophobicContact CZ-CD2 4.29Å; F620-F791 HydrophobicContact CE1-CD1 4.23Å; F620-F791 HydrophobicContact CE1-CE1 4.1Å; F620-F795 HydrophobicContact CD1-CD2 4.19Å; F620-F795 HydrophobicContact CD1-CE2 4.04Å |
| 621 | V | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.6 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | F568 Y597 I601 Q617 C618 D619 L623 R624 I625 F795 | F568-V621 HydrophobicContact CD1-CG1 4.31Å; F568-V621 HydrophobicContact CD2-CG2 4.38Å; F568-V621 HydrophobicContact CE1-CB 4.46Å; F568-V621 HydrophobicContact CE1-CG1 3.54Å; F568-V621 HydrophobicContact CE1-CG2 4.1Å; F568-V621 HydrophobicContact CE2-CG2 3.9Å; F568-V621 HydrophobicContact CZ-CB 4.32Å; F568-V621 HydrophobicContact CZ-CG1 3.8Å; F568-V621 HydrophobicContact CZ-CG2 3.74Å; Y597-V621 HydrophobicContact CD1-CG1 3.97Å; Y597-V621 HydrophobicContact CE1-CG1 4.37Å; I601-V621 HydrophobicContact CB-CG1 4.15Å; I601-V621 HydrophobicContact CD1-CB 4.26Å; I601-V621 HydrophobicContact CD1-CG1 4.09Å; I601-V621 HydrophobicContact CG1-CG1 4.48Å; Q617-V621 WeakPolarHBondContact O-CB 3.29Å; Q617-V621 VanDerWaalsContact O-CG2 3.22Å; Q617-V621 WeakPolarHBondContact O-CG2 3.28Å; Q617-V621 PolarHBondContact O-N 3.42Å; Q617-V621 VanDerWaalsContact O-N 3.08Å; C618-V621 PolarHBondContact O-N 3.13Å; D619-V621 PolarHBondContact O-N 2.99Å; V621-L623 VanDerWaalsContact C-N 3.34Å; V621-L623 PolarHBondContact O-N 3.02Å; V621-R624 PolarHBondContact O-N 3.43Å; V621-I625 HydrophobicContact CG1-CD1 4.01Å; V621-I625 HydrophobicContact CG1-CG1 4.47Å; V621-I625 WeakPolarHBondContact O-CG1 3.39Å; V621-I625 PolarHBondContact O-N 2.67Å; V621-F795 HydrophobicContact CG2-CE2 4.08Å; V621-F795 HydrophobicContact CG2-CZ 4.16Å |
| 622 | K | 98.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 30.9 Ų | 30.9 | 40% | 0.396 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60 | -44.9 | 174.1 | -75.2 | 169.1 | -173.2 | 169.5 | 0 | 111.4 | I601 C618 D619 R624 I625 D626 | I601-K622 HydrophobicContact CD1-CG 4.4Å; I601-K622 HydrophobicContact CG1-CG 4.38Å; C618-K622 WeakPolarHBondContact O-CB 3.43Å; C618-K622 VanDerWaalsContact O-CG 3.22Å; C618-K622 WeakPolarHBondContact O-CG 3.33Å; C618-K622 PolarHBondContact O-N 2.72Å; D619-K622 PolarHBondContact O-N 2.49Å; D619-K622 IonicContact OD1-NZ 2.85Å; K622-R624 VanDerWaalsContact C-N 3.3Å; K622-R624 PolarHBondContact O-N 3.2Å; K622-I625 WeakPolarHBondContact O-CB 3.35Å; K622-I625 PolarHBondContact O-N 3.37Å; K622-D626 PolarHBondContact O-N 2.88Å |
| 623 | L | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.9 | -71.4 | 171.2 | 0 | 0 | 0 | 112.3 | D619 F620 V621 D626 T627 L681 R684 Y685 L688 | D619-L623 WeakPolarHBondContact O-CG 3.48Å; D619-L623 PolarHBondContact O-N 3.44Å; F620-L623 PolarHBondContact O-N 3.08Å; V621-L623 VanDerWaalsContact C-N 3.34Å; V621-L623 PolarHBondContact O-N 3.02Å; L623-D626 PolarHBondContact O-N 2.95Å; L623-T627 WeakPolarHBondContact O-CB 3.25Å; L623-T627 PolarHBondContact O-N 2.87Å; L623-T627 PolarHBondContact O-OG1 2.87Å; L623-L681 HydrophobicContact CD2-CD2 4.4Å; L623-R684 HydrophobicContact CD2-CB 3.55Å; L623-Y685 HydrophobicContact CB-CD1 4.33Å; L623-Y685 HydrophobicContact CB-CE1 3.66Å; L623-Y685 HydrophobicContact CB-CE2 4.28Å; L623-Y685 HydrophobicContact CD1-CD1 3.67Å; L623-Y685 HydrophobicContact CD1-CE1 3.82Å; L623-Y685 HydrophobicContact CD1-CG 4.19Å; L623-Y685 HydrophobicContact CG-CE1 4.33Å; L623-Y685 PolarHBondContact O-OH 3.4Å; L623-L688 HydrophobicContact CD1-CB 4.06Å; L623-L688 HydrophobicContact CD1-CD2 3.82Å |
| 624 | R | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 174.2 | -178.8 | 57.4 | 171.3 | 176.1 | -1.5 | 111.9 | E572 Y597 F620 V621 K622 T627 L628 L789 | E572-R624 IonicContact OE1-CZ 2.89Å; E572-R624 IonicContact OE1-NE 3.76Å; E572-R624 PolarHBondContact OE1-NE 3.37Å; E572-R624 IonicContact OE1-NH2 3.39Å; E572-R624 PolarHBondContact OE1-NH2 3.47Å; E572-R624 VanDerWaalsContact OE1-NH2 3.08Å; E572-R624 IonicContact OE2-NH2 3.05Å; E572-R624 PolarHBondContact OE2-NH2 3.38Å; E572-R624 VanDerWaalsContact OE2-NH2 3.09Å; Y597-R624 HydrophobicContact CE1-CG 4.4Å; Y597-R624 HydrophobicContact CE2-CG 4.06Å; F620-R624 PolarHBondContact O-N 3.44Å; V621-R624 PolarHBondContact O-N 3.43Å; K622-R624 VanDerWaalsContact C-N 3.3Å; K622-R624 PolarHBondContact O-N 3.2Å; R624-T627 PolarHBondContact O-N 2.96Å; R624-L628 WeakPolarHBondContact O-CG 3.37Å; R624-L628 PolarHBondContact O-N 3.42Å; R624-L789 HydrophobicContact CG-CD2 4.16Å |
| 625 | I | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.3 | -52.2 | 173.9 | -72 | 167.1 | 0 | 0 | 0 | 110.4 | L594 Y597 I601 V621 K622 T627 L628 Q629 | L594-I625 HydrophobicContact CD2-CG2 4.01Å; Y597-I625 HydrophobicContact CD1-CG1 4.43Å; Y597-I625 HydrophobicContact CG-CG1 4.07Å; I601-I625 HydrophobicContact CB-CD1 4.24Å; I601-I625 HydrophobicContact CG2-CD1 3.98Å; V621-I625 HydrophobicContact CG1-CD1 4.01Å; V621-I625 HydrophobicContact CG1-CG1 4.47Å; V621-I625 WeakPolarHBondContact O-CG1 3.39Å; V621-I625 PolarHBondContact O-N 2.67Å; K622-I625 WeakPolarHBondContact O-CB 3.35Å; K622-I625 PolarHBondContact O-N 3.37Å; I625-T627 VanDerWaalsContact C-N 3.29Å; I625-T627 PolarHBondContact O-N 3.04Å; I625-L628 PolarHBondContact O-N 3.49Å; I625-Q629 WeakPolarHBondContact O-CG 3.31Å; I625-Q629 PolarHBondContact O-N 3.4Å |
| 626 | D | 98.5 | Very high | 96.9 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 20% | 0.198 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | -177.1 | -59.3 | -16.2 | 0 | 0 | 0 | 110.8 | K622 L623 Q629 G630 L681 R684 | K622-D626 PolarHBondContact O-N 2.88Å; L623-D626 PolarHBondContact O-N 2.95Å; D626-Q629 PolarHBondContact O-N 3.21Å; D626-G630 PolarHBondContact O-N 3.37Å; D626-L681 HydrophobicContact CB-CD2 3.61Å; D626-R684 IonicContact OD2-CZ 3.86Å; D626-R684 VanDerWaalsContact OD2-CZ 3.23Å; D626-R684 IonicContact OD2-NH1 3.79Å; D626-R684 PolarHBondContact OD2-NH1 3.32Å; D626-R684 IonicContact OD2-NH2 3.23Å; D626-R684 PolarHBondContact OD2-NH2 3.13Å |
| 627 | T | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | L623 R624 I625 Q629 G630 L631 Y685 | L623-T627 WeakPolarHBondContact O-CB 3.25Å; L623-T627 PolarHBondContact O-N 2.87Å; L623-T627 PolarHBondContact O-OG1 2.87Å; R624-T627 PolarHBondContact O-N 2.96Å; I625-T627 VanDerWaalsContact C-N 3.29Å; I625-T627 PolarHBondContact O-N 3.04Å; T627-Q629 VanDerWaalsContact C-N 3.3Å; T627-Q629 PolarHBondContact O-N 3.48Å; T627-G630 PolarHBondContact O-N 3.21Å; T627-L631 HydrophobicContact CG2-CD1 4.08Å; T627-L631 HydrophobicContact CG2-CG 4.43Å; T627-L631 VanDerWaalsContact O-CG 3.27Å; T627-L631 WeakPolarHBondContact O-CG 3.38Å; T627-L631 PolarHBondContact O-N 2.95Å; T627-Y685 PolarHBondContact OG1-OH 3.16Å |
| 628 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -37 | 177.1 | -71.5 | 178.1 | 0 | 0 | 0 | 112 | L575 I590 A593 L594 Y597 R624 I625 L631 S632 L785 | L575-L628 HydrophobicContact CD1-CD1 4.4Å; L575-L628 HydrophobicContact CD1-CD2 4.03Å; I590-L628 HydrophobicContact CG2-CB 4.21Å; A593-L628 HydrophobicContact CB-CD1 4.38Å; L594-L628 HydrophobicContact CD2-CB 3.79Å; L594-L628 HydrophobicContact CD2-CD1 4.47Å; L594-L628 HydrophobicContact CG-CB 4.24Å; Y597-L628 HydrophobicContact CD2-CD1 3.72Å; Y597-L628 HydrophobicContact CE2-CD1 3.68Å; R624-L628 WeakPolarHBondContact O-CG 3.37Å; R624-L628 PolarHBondContact O-N 3.42Å; I625-L628 PolarHBondContact O-N 3.49Å; L628-L631 PolarHBondContact O-N 3.09Å; L628-S632 WeakPolarHBondContact O-CB 3.29Å; L628-S632 PolarHBondContact O-N 3.33Å; L628-L785 HydrophobicContact CD2-CD2 3.44Å; L628-L785 VanDerWaalsContact CD2-CD2 3.44Å |
| 629 | Q | 97.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 27.3 Ų | 27.3 | 42% | 0.421 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 173.2 | -71.6 | 176.7 | -9.7 | 0 | 0 | 111.7 | L594 I625 D626 T627 L631 S632 Q633 | L594-Q629 HydrophobicContact CD1-CG 3.86Å; L594-Q629 HydrophobicContact CD2-CG 3.75Å; L594-Q629 HydrophobicContact CG-CG 4.49Å; I625-Q629 WeakPolarHBondContact O-CG 3.31Å; I625-Q629 PolarHBondContact O-N 3.4Å; D626-Q629 PolarHBondContact O-N 3.21Å; T627-Q629 VanDerWaalsContact C-N 3.3Å; T627-Q629 PolarHBondContact O-N 3.48Å; Q629-L631 PolarHBondContact O-N 3.49Å; Q629-S632 PolarHBondContact O-N 2.91Å; Q629-Q633 WeakPolarHBondContact O-CB 3.4Å; Q629-Q633 PolarHBondContact O-N 3.43Å |
| 630 | G | 97.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D626 T627 Q633 L634 | D626-G630 PolarHBondContact O-N 3.37Å; T627-G630 PolarHBondContact O-N 3.21Å; G630-Q633 PolarHBondContact O-N 3.3Å; G630-L634 WeakPolarHBondContact O-CB 3.41Å; G630-L634 PolarHBondContact O-N 3.41Å |
| 631 | L | 96.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 177 | -66.2 | 170.9 | 0 | 0 | 0 | 112.1 | T627 L628 Q629 L634 I635 F678 V713 V781 L785 | T627-L631 HydrophobicContact CG2-CD1 4.08Å; T627-L631 HydrophobicContact CG2-CG 4.43Å; T627-L631 VanDerWaalsContact O-CG 3.27Å; T627-L631 WeakPolarHBondContact O-CG 3.38Å; T627-L631 PolarHBondContact O-N 2.95Å; L628-L631 PolarHBondContact O-N 3.09Å; Q629-L631 PolarHBondContact O-N 3.49Å; L631-L634 WeakPolarHBondContact O-CB 3.43Å; L631-L634 PolarHBondContact O-N 3.34Å; L631-I635 WeakPolarHBondContact O-CG1 3.43Å; L631-I635 PolarHBondContact O-N 3.35Å; L631-F678 HydrophobicContact CD2-CE1 4Å; L631-F678 HydrophobicContact CD2-CZ 3.82Å; L631-F678 HydrophobicContact CG-CE1 4.28Å; L631-F678 HydrophobicContact CG-CZ 4.23Å; L631-V713 HydrophobicContact CD2-CG2 4.37Å; L631-V781 HydrophobicContact CB-CG1 3.91Å; L631-V781 HydrophobicContact CD2-CB 4.39Å; L631-V781 HydrophobicContact CD2-CG1 4.03Å; L631-V781 HydrophobicContact CD2-CG2 3.78Å; L631-V781 HydrophobicContact CG-CG1 4.36Å; L631-L785 HydrophobicContact CD1-CD2 3.83Å; L631-L785 HydrophobicContact CD1-CG 4.29Å |
| 632 | S | 95.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | M587 L628 Q629 L634 I635 C636 | M587-S632 WeakPolarHBondContact CE-OG 3.34Å; M587-S632 VanDerWaalsContact SD-O 3.4Å; M587-S632 PolarHBondContact SD-OG 3.45Å; L628-S632 WeakPolarHBondContact O-CB 3.29Å; L628-S632 PolarHBondContact O-N 3.33Å; Q629-S632 PolarHBondContact O-N 2.91Å; S632-L634 VanDerWaalsContact C-N 3.29Å; S632-L634 PolarHBondContact O-N 3.3Å; S632-I635 PolarHBondContact O-N 3.01Å; S632-C636 PolarHBondContact O-N 2.6Å |
| 633 | Q | 94.5 | Very high | 90.9 | Very high | 103 Ų | 103 | 36.6 Ų | 36.6 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 176.5 | -175.7 | 57.3 | 33.9 | 0 | 0 | 111.3 | Q629 G630 C636 T637 | Q629-Q633 WeakPolarHBondContact O-CB 3.4Å; Q629-Q633 PolarHBondContact O-N 3.43Å; G630-Q633 PolarHBondContact O-N 3.3Å; Q633-C636 WeakPolarHBondContact O-CB 3.49Å; Q633-C636 PolarHBondContact O-N 3.04Å; Q633-T637 WeakPolarHBondContact O-CG2 3.25Å; Q633-T637 PolarHBondContact O-N 2.89Å; Q633-T637 PolarHBondContact O-OG1 3.49Å |
| 634 | L | 94.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 175.2 | -177.9 | 60.5 | 0 | 0 | 0 | 111.6 | G630 L631 S632 C636 T637 C638 M671 F678 V713 I717 L777 V781 | G630-L634 WeakPolarHBondContact O-CB 3.41Å; G630-L634 PolarHBondContact O-N 3.41Å; L631-L634 WeakPolarHBondContact O-CB 3.43Å; L631-L634 PolarHBondContact O-N 3.34Å; S632-L634 VanDerWaalsContact C-N 3.29Å; S632-L634 PolarHBondContact O-N 3.3Å; L634-C636 VanDerWaalsContact C-N 3.3Å; L634-C636 PolarHBondContact O-N 3.34Å; L634-T637 WeakPolarHBondContact CA-OG1 3.42Å; L634-T637 PolarHBondContact O-N 2.94Å; L634-T637 VanDerWaalsContact O-N 3.08Å; L634-T637 PolarHBondContact O-OG1 3.16Å; L634-C638 PolarHBondContact O-N 3.31Å; L634-C638 PolarHBondContact O-SG 3.42Å; L634-M671 HydrophobicContact CD1-CE 4.41Å; L634-M671 HydrophobicContact CD1-SD 3.88Å; L634-F678 HydrophobicContact CB-CE2 4.39Å; L634-F678 HydrophobicContact CD2-CE2 4.04Å; L634-F678 HydrophobicContact CD2-CZ 4.43Å; L634-V713 HydrophobicContact CD2-CG1 3.51Å; L634-I717 HydrophobicContact CD1-CD1 3.91Å; L634-I717 HydrophobicContact CD1-CG1 4.33Å; L634-I717 HydrophobicContact CD2-CD1 4.43Å; L634-L777 HydrophobicContact CD2-CD2 4.38Å; L634-V781 HydrophobicContact CD2-CG2 3.86Å |
| 635 | I | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.6 | -65 | 169 | 0 | 0 | 0 | 110.9 | A586 M587 I590 L631 S632 T637 C638 N639 V781 | A586-I635 HydrophobicContact CB-CD1 4.4Å; M587-I635 HydrophobicContact CG-CB 4.29Å; M587-I635 HydrophobicContact CG-CG2 3.66Å; M587-I635 HydrophobicContact SD-CB 3.76Å; M587-I635 HydrophobicContact SD-CD1 4.28Å; M587-I635 HydrophobicContact SD-CG2 3.81Å; I590-I635 HydrophobicContact CD1-CD1 4Å; L631-I635 WeakPolarHBondContact O-CG1 3.43Å; L631-I635 PolarHBondContact O-N 3.35Å; S632-I635 PolarHBondContact O-N 3.01Å; I635-T637 PolarHBondContact O-N 3.04Å; I635-C638 PolarHBondContact O-N 3.13Å; I635-N639 PolarHBondContact O-N 2.94Å; I635-N639 PolarHBondContact O-ND2 3.48Å; I635-V781 HydrophobicContact CD1-CB 4.46Å; I635-V781 HydrophobicContact CD1-CG1 3.77Å; I635-V781 HydrophobicContact CG1-CB 4.49Å; I635-V781 HydrophobicContact CG1-CG1 4.2Å |
| 636 | C | 91.1 | Very high | 85.9 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 35% | 0.345 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 173.2 | -80.4 | 0 | 0 | 0 | 0 | 112.4 | M587 S632 Q633 L634 N639 S640 | M587-C636 WeakPolarHBondContact CE-SG 3.43Å; S632-C636 PolarHBondContact O-N 2.6Å; Q633-C636 WeakPolarHBondContact O-CB 3.49Å; Q633-C636 PolarHBondContact O-N 3.04Å; L634-C636 VanDerWaalsContact C-N 3.3Å; L634-C636 PolarHBondContact O-N 3.34Å; C636-N639 PolarHBondContact O-N 3.5Å; C636-S640 PolarHBondContact O-N 3.31Å |
| 637 | T | 89.4 | Confident | 84 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 177.7 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | Q633 L634 I635 N639 S640 I667 Q670 | Q633-T637 WeakPolarHBondContact O-CG2 3.25Å; Q633-T637 PolarHBondContact O-N 2.89Å; Q633-T637 PolarHBondContact O-OG1 3.49Å; L634-T637 WeakPolarHBondContact CA-OG1 3.42Å; L634-T637 PolarHBondContact O-N 2.94Å; L634-T637 VanDerWaalsContact O-N 3.08Å; L634-T637 PolarHBondContact O-OG1 3.16Å; I635-T637 PolarHBondContact O-N 3.04Å; T637-N639 VanDerWaalsContact C-N 3.34Å; T637-N639 PolarHBondContact O-N 3.18Å; T637-S640 WeakPolarHBondContact O-CB 3.44Å; T637-S640 PolarHBondContact O-N 3.29Å; T637-S640 PolarHBondContact O-OG 3.29Å; T637-I667 WeakPolarHBondContact O-CD1 3.49Å; T637-Q670 HydrophobicContact CG2-CB 3.89Å |
| 638 | C | 89.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 172.7 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | L634 I635 S640 L641 T774 C778 | L634-C638 PolarHBondContact O-N 3.31Å; L634-C638 PolarHBondContact O-SG 3.42Å; I635-C638 PolarHBondContact O-N 3.13Å; C638-S640 VanDerWaalsContact C-N 3.28Å; C638-S640 PolarHBondContact O-N 3.3Å; C638-L641 VanDerWaalsContact O-CB 3.26Å; C638-L641 WeakPolarHBondContact O-CB 3.39Å; C638-L641 PolarHBondContact O-N 3.15Å; C638-T774 HydrophobicContact CB-CG2 4.23Å; C638-C778 VanDerWaalsContact CB-SG 3.55Å |
| 639 | N | 85.4 | Confident | 80.6 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66 | -29.2 | 178.4 | -79.2 | -36.1 | 0 | 0 | 0 | 113.2 | I635 C636 T637 L641 K642 | I635-N639 PolarHBondContact O-N 2.94Å; I635-N639 PolarHBondContact O-ND2 3.48Å; C636-N639 PolarHBondContact O-N 3.5Å; T637-N639 VanDerWaalsContact C-N 3.34Å; T637-N639 PolarHBondContact O-N 3.18Å; N639-L641 PolarHBondContact O-N 3.4Å; N639-K642 WeakPolarHBondContact O-CB 3.33Å; N639-K642 PolarHBondContact O-N 2.68Å |
| 640 | S | 81.8 | Confident | 79.1 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -67 | -13.4 | 176.2 | 81.9 | 0 | 0 | 0 | 0 | 114 | C636 T637 C638 K642 T643 S644 Q670 | C636-S640 PolarHBondContact O-N 3.31Å; T637-S640 WeakPolarHBondContact O-CB 3.44Å; T637-S640 PolarHBondContact O-N 3.29Å; T637-S640 PolarHBondContact O-OG 3.29Å; C638-S640 VanDerWaalsContact C-N 3.28Å; C638-S640 PolarHBondContact O-N 3.3Å; S640-K642 PolarHBondContact O-N 2.87Å; S640-T643 PolarHBondContact O-N 2.68Å; S640-T643 VanDerWaalsContact O-N 3.08Å; S640-T643 PolarHBondContact O-OG1 3.45Å; S640-T643 VanDerWaalsContact O-OG1 3.04Å; S640-S644 PolarHBondContact O-N 3.02Å; S640-S644 PolarHBondContact O-OG 3.47Å; S640-S644 VanDerWaalsContact O-OG 3.08Å; S640-Q670 PolarHBondContact OG-OE1 3.49Å |
| 641 | L | 75.7 | Confident | 77.7 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -58 | -37.4 | 171.4 | -173.7 | 60.7 | 0 | 0 | 0 | 111.2 | C638 N639 T643 S644 I667 V769 T774 | C638-L641 VanDerWaalsContact O-CB 3.26Å; C638-L641 WeakPolarHBondContact O-CB 3.39Å; C638-L641 PolarHBondContact O-N 3.15Å; N639-L641 PolarHBondContact O-N 3.4Å; L641-T643 PolarHBondContact O-N 3.07Å; L641-T643 VanDerWaalsContact O-N 3.16Å; L641-S644 PolarHBondContact O-N 2.85Å; L641-I667 HydrophobicContact CB-CD1 3.67Å; L641-I667 HydrophobicContact CD1-CD1 3.91Å; L641-I667 HydrophobicContact CD1-CG2 4.26Å; L641-I667 HydrophobicContact CG-CD1 4.29Å; L641-V769 HydrophobicContact CD1-CG1 3.73Å; L641-V769 HydrophobicContact CD2-CG1 4.47Å; L641-T774 HydrophobicContact CB-CG2 4.4Å; L641-T774 HydrophobicContact CD2-CG2 3.68Å |
| 642 | K | 68.8 | Low | 76.3 | Confident | 175 Ų | 175 | 56.5 Ų | 56.5 | 76% | 0.761 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -63.8 | -19.4 | 179 | -62.3 | 178.5 | -177.9 | 171.5 | 0 | 113 | N639 S640 | N639-K642 WeakPolarHBondContact O-CB 3.33Å; N639-K642 PolarHBondContact O-N 2.68Å; S640-K642 PolarHBondContact O-N 2.87Å |
| 643 | T | 69.4 | Low | 75 | Confident | 120 Ų | 120 | 59.6 Ų | 59.6 | 74% | 0.736 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -114.6 | 7.7 | -176.8 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | S640 L641 | S640-T643 PolarHBondContact O-N 2.68Å; S640-T643 VanDerWaalsContact O-N 3.08Å; S640-T643 PolarHBondContact O-OG1 3.45Å; S640-T643 VanDerWaalsContact O-OG1 3.04Å; L641-T643 PolarHBondContact O-N 3.07Å; L641-T643 VanDerWaalsContact O-N 3.16Å |
| 644 | S | 65.6 | Low | 73.9 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -72.4 | 145.8 | 179 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | S640 L641 | S640-S644 PolarHBondContact O-N 3.02Å; S640-S644 PolarHBondContact O-OG 3.47Å; S640-S644 VanDerWaalsContact O-OG 3.08Å; L641-S644 PolarHBondContact O-N 2.85Å |
| 645 | P | 61 | Low | 72.7 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 149 | -175.6 | 24.2 | -32.3 | 0 | 0 | 0 | 111.9 | I649 | P645-I649 HydrophobicContact CB-CB 4.41Å; P645-I649 HydrophobicContact CB-CG2 4.42Å |
| 646 | P | 62 | Low | 71.7 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 149.8 | -176.6 | -27 | 33.2 | 0 | 0 | 0 | 113.6 | A648 I649 A650 | P646-A648 PolarHBondContact O-N 2.93Å; P646-I649 PolarHBondContact O-N 3.14Å; P646-A650 PolarHBondContact O-N 3.38Å |
| 647 | P | 59.8 | Low | 70.7 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 68% | 0.682 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -49.7 | -30.1 | -176.9 | -30 | 34.7 | 0 | 0 | 0 | 115.5 | I649 T651 | P647-I649 PolarHBondContact O-N 3.34Å; P647-T651 WeakPolarHBondContact O-CB 3.28Å; P647-T651 PolarHBondContact O-N 3.14Å; P647-T651 PolarHBondContact O-OG1 3.47Å |
| 648 | A | 60.6 | Low | 69.4 | Low | 72 Ų | 72 | 69.7 Ų | 69.7 | 60% | 0.595 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.2 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P646 T652 | P646-A648 PolarHBondContact O-N 2.93Å; A648-T652 PolarHBondContact O-N 2.98Å; A648-T652 PolarHBondContact O-OG1 3.39Å |
| 649 | I | 63.7 | Low | 68.3 | Low | 90 Ų | 90 | 72.3 Ų | 72.3 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -78.1 | -42.7 | 179.9 | -61 | 178.1 | 0 | 0 | 0 | 110 | P645 P646 P647 T651 T652 I653 | P645-I649 HydrophobicContact CB-CB 4.41Å; P645-I649 HydrophobicContact CB-CG2 4.42Å; P646-I649 PolarHBondContact O-N 3.14Å; P647-I649 PolarHBondContact O-N 3.34Å; I649-T651 PolarHBondContact O-N 2.91Å; I649-T652 PolarHBondContact O-N 3.41Å; I649-I653 HydrophobicContact CG2-CD1 3.86Å; I649-I653 WeakPolarHBondContact O-CD1 3.15Å; I649-I653 VanDerWaalsContact O-CG1 3.3Å; I649-I653 WeakPolarHBondContact O-CG1 3.19Å; I649-I653 PolarHBondContact O-N 2.9Å; I649-I653 VanDerWaalsContact O-N 3.13Å |
| 650 | A | 66.9 | Low | 67.3 | Low | 5 Ų | 5 | 76 Ų | 76 | 4% | 0.041 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P646 T652 I653 A654 R663 | P646-A650 PolarHBondContact O-N 3.38Å; A650-T652 PolarHBondContact O-N 3.48Å; A650-I653 PolarHBondContact O-N 3.2Å; A650-A654 WeakPolarHBondContact O-CB 3.48Å; A650-A654 PolarHBondContact O-N 3.43Å; A650-R663 WeakPolarHBondContact CB-O 3.38Å |
| 651 | T | 67.7 | Low | 66.4 | Low | 55 Ų | 55 | 76.7 Ų | 76.7 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 112 | P647 I649 A654 L655 | P647-T651 WeakPolarHBondContact O-CB 3.28Å; P647-T651 PolarHBondContact O-N 3.14Å; P647-T651 PolarHBondContact O-OG1 3.47Å; I649-T651 PolarHBondContact O-N 2.91Å; T651-A654 PolarHBondContact O-N 3.47Å; T651-L655 HydrophobicContact CG2-CD1 4.15Å; T651-L655 WeakPolarHBondContact O-CG 3.39Å; T651-L655 PolarHBondContact O-N 2.9Å; T651-L655 VanDerWaalsContact O-N 3.08Å |
| 652 | T | 67.6 | Low | 66 | Low | 89 Ų | 89 | 78 Ų | 78 | 55% | 0.546 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.3 | -54 | 0 | 0 | 0 | 0 | 110.9 | A648 I649 A650 A654 L655 T656 | A648-T652 PolarHBondContact O-N 2.98Å; A648-T652 PolarHBondContact O-OG1 3.39Å; I649-T652 PolarHBondContact O-N 3.41Å; A650-T652 PolarHBondContact O-N 3.48Å; T652-A654 PolarHBondContact O-N 3.14Å; T652-L655 PolarHBondContact O-N 3.31Å; T652-T656 PolarHBondContact O-N 3.31Å; T652-T656 VanDerWaalsContact O-N 3.09Å; T652-T656 PolarHBondContact O-OG1 2.96Å |
| 653 | I | 67.4 | Low | 65.7 | Low | 84 Ų | 84 | 75.1 Ų | 75.1 | 43% | 0.431 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 178 | -68.7 | 165.8 | 0 | 0 | 0 | 111.2 | I649 A650 T656 S657 Q662 | I649-I653 HydrophobicContact CG2-CD1 3.86Å; I649-I653 WeakPolarHBondContact O-CD1 3.15Å; I649-I653 VanDerWaalsContact O-CG1 3.3Å; I649-I653 WeakPolarHBondContact O-CG1 3.19Å; I649-I653 PolarHBondContact O-N 2.9Å; I649-I653 VanDerWaalsContact O-N 3.13Å; A650-I653 PolarHBondContact O-N 3.2Å; I653-T656 PolarHBondContact O-N 2.99Å; I653-S657 WeakPolarHBondContact O-CB 3.47Å; I653-S657 PolarHBondContact O-N 3.4Å; I653-S657 PolarHBondContact O-OG 3.34Å; I653-S657 VanDerWaalsContact O-OG 3.08Å; I653-Q662 HydrophobicContact CG2-CB 4.47Å; I653-Q662 VanDerWaalsContact CG2-OE1 3.28Å |
| 654 | A | 70.4 | Confident | 65.4 | Low | 5 Ų | 5 | 71 Ų | 71 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A650 T651 T652 T656 S657 G658 N659 Q662 R663 | A650-A654 WeakPolarHBondContact O-CB 3.48Å; A650-A654 PolarHBondContact O-N 3.43Å; T651-A654 PolarHBondContact O-N 3.47Å; T652-A654 PolarHBondContact O-N 3.14Å; A654-T656 VanDerWaalsContact C-N 3.27Å; A654-T656 PolarHBondContact O-N 3.24Å; A654-S657 PolarHBondContact O-OG 2.92Å; A654-G658 PolarHBondContact O-N 3.17Å; A654-G658 VanDerWaalsContact O-N 3.07Å; A654-N659 PolarHBondContact O-N 3.38Å; A654-Q662 HydrophobicContact CB-CB 3.9Å; A654-R663 HydrophobicContact CB-CB 4.25Å; A654-R663 HydrophobicContact CB-CG 3.39Å |
| 655 | L | 70.5 | Confident | 65.7 | Low | 118 Ų | 118 | 69.9 Ų | 69.9 | 62% | 0.618 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.4 | -32.6 | 174.7 | -73.9 | 165.6 | 0 | 0 | 0 | 112 | T651 T652 | T651-L655 HydrophobicContact CG2-CD1 4.15Å; T651-L655 WeakPolarHBondContact O-CG 3.39Å; T651-L655 PolarHBondContact O-N 2.9Å; T651-L655 VanDerWaalsContact O-N 3.08Å; T652-L655 PolarHBondContact O-N 3.31Å |
| 656 | T | 71.4 | Confident | 66.3 | Low | 118 Ų | 118 | 77.1 Ų | 77.1 | 72% | 0.724 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -80.6 | -31.5 | -178.7 | -38.6 | 0 | 0 | 0 | 0 | 112.5 | T652 I653 A654 | T652-T656 PolarHBondContact O-N 3.31Å; T652-T656 VanDerWaalsContact O-N 3.09Å; T652-T656 PolarHBondContact O-OG1 2.96Å; I653-T656 PolarHBondContact O-N 2.99Å; A654-T656 VanDerWaalsContact C-N 3.27Å; A654-T656 PolarHBondContact O-N 3.24Å |
| 657 | S | 70.3 | Confident | 67.1 | Low | 58 Ų | 58 | 73.2 Ų | 73.2 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -92.6 | -13.7 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | I653 A654 N659 Q662 | I653-S657 WeakPolarHBondContact O-CB 3.47Å; I653-S657 PolarHBondContact O-N 3.4Å; I653-S657 PolarHBondContact O-OG 3.34Å; I653-S657 VanDerWaalsContact O-OG 3.08Å; A654-S657 PolarHBondContact O-OG 2.92Å; S657-N659 PolarHBondContact O-N 3.5Å; S657-N659 PolarHBondContact OG-N 2.9Å; S657-Q662 PolarHBondContact OG-OE1 3.13Å |
| 658 | G | 62.3 | Low | 68 | Low | 71 Ų | 71 | 68.5 Ų | 68.5 | 73% | 0.732 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 9.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A654 | A654-G658 PolarHBondContact O-N 3.17Å; A654-G658 VanDerWaalsContact O-N 3.07Å |
| 659 | N | 66.3 | Low | 69 | Low | 60 Ų | 60 | 70.7 Ų | 70.7 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | trans | -109.8 | 105.9 | -178.4 | -174.5 | -7.2 | 0 | 0 | 0 | 110.9 | A654 S657 L661 Q662 | A654-N659 PolarHBondContact O-N 3.38Å; S657-N659 PolarHBondContact O-N 3.5Å; S657-N659 PolarHBondContact OG-N 2.9Å; N659-L661 PolarHBondContact O-N 3.45Å; N659-L661 WeakPolarHBondContact OD1-CB 3.18Å; N659-L661 PolarHBondContact OD1-N 2.93Å; N659-Q662 HydrophobicContact CB-CG 4.18Å; N659-Q662 WeakPolarHBondContact O-CB 3.44Å; N659-Q662 PolarHBondContact O-N 3.38Å | ||
| 660 | E | 63.3 | Low | 70.2 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -61.1 | -27.5 | -177.1 | -66.5 | -150.4 | 128.6 | 0 | 0 | 113.7 | Q662 R663 | E660-Q662 PolarHBondContact O-N 2.91Å; E660-R663 VanDerWaalsContact O-CB 3.25Å; E660-R663 WeakPolarHBondContact O-CB 3.34Å; E660-R663 WeakPolarHBondContact O-CG 3.47Å; E660-R663 PolarHBondContact O-N 3.15Å; E660-R663 IonicContact OE1-CZ 3.75Å; E660-R663 IonicContact OE1-NH1 3.73Å; E660-R663 PolarHBondContact OE1-NH1 3.22Å; E660-R663 IonicContact OE1-NH2 2.8Å |
| 661 | L | 63.8 | Low | 71.2 | Confident | 43 Ų | 43 | 70 Ų | 70 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -62.3 | -24 | 175.3 | -77.4 | 150.7 | 0 | 0 | 0 | 113 | N659 R663 C664 R672 L722 | N659-L661 PolarHBondContact O-N 3.45Å; N659-L661 WeakPolarHBondContact OD1-CB 3.18Å; N659-L661 PolarHBondContact OD1-N 2.93Å; L661-R663 PolarHBondContact O-N 3.14Å; L661-C664 PolarHBondContact O-N 3.03Å; L661-R672 VanDerWaalsContact CD1-NH2 3.34Å; L661-L722 HydrophobicContact CD2-CD2 4.14Å |
| 662 | Q | 67.2 | Low | 72.2 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -71.8 | -12.1 | 176.1 | -67.7 | -171.2 | -9.3 | 0 | 0 | 112.9 | I653 A654 S657 N659 E660 C664 G665 | I653-Q662 HydrophobicContact CG2-CB 4.47Å; I653-Q662 VanDerWaalsContact CG2-OE1 3.28Å; A654-Q662 HydrophobicContact CB-CB 3.9Å; S657-Q662 PolarHBondContact OG-OE1 3.13Å; N659-Q662 HydrophobicContact CB-CG 4.18Å; N659-Q662 WeakPolarHBondContact O-CB 3.44Å; N659-Q662 PolarHBondContact O-N 3.38Å; E660-Q662 PolarHBondContact O-N 2.91Å; Q662-C664 PolarHBondContact O-N 3.4Å; Q662-G665 PolarHBondContact O-N 3.35Å |
| 663 | R | 63 | Low | 73.4 | Confident | 114 Ų | 114 | 71.6 Ų | 71.6 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -62.5 | -26.1 | 170.6 | -69.7 | -172.5 | 172.4 | 155.9 | 3.7 | 111.6 | A650 A654 E660 L661 G665 | A650-R663 WeakPolarHBondContact CB-O 3.38Å; A654-R663 HydrophobicContact CB-CB 4.25Å; A654-R663 HydrophobicContact CB-CG 3.39Å; E660-R663 VanDerWaalsContact O-CB 3.25Å; E660-R663 WeakPolarHBondContact O-CB 3.34Å; E660-R663 WeakPolarHBondContact O-CG 3.47Å; E660-R663 PolarHBondContact O-N 3.15Å; E660-R663 IonicContact OE1-CZ 3.75Å; E660-R663 IonicContact OE1-NH1 3.73Å; E660-R663 PolarHBondContact OE1-NH1 3.22Å; E660-R663 IonicContact OE1-NH2 2.8Å; L661-R663 PolarHBondContact O-N 3.14Å; R663-G665 VanDerWaalsContact C-N 3.32Å |
| 664 | C | 63.6 | Low | 74.7 | Confident | 33 Ų | 33 | 68 Ų | 68 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -86.8 | 2.5 | 175.7 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | L661 Q662 I667 A668 V769 | L661-C664 PolarHBondContact O-N 3.03Å; Q662-C664 PolarHBondContact O-N 3.4Å; C664-I667 VanDerWaalsContact O-CG2 3.26Å; C664-I667 WeakPolarHBondContact O-CG2 3.21Å; C664-A668 HydrophobicContact CB-CB 4.37Å; C664-V769 HydrophobicContact CB-CB 4.1Å; C664-V769 HydrophobicContact CB-CG2 3.65Å |
| 665 | G | 70.8 | Confident | 75.9 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | trans | 82.2 | -166.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q662 R663 I667 | Q662-G665 PolarHBondContact O-N 3.35Å; R663-G665 VanDerWaalsContact C-N 3.32Å; G665-I667 PolarHBondContact O-N 2.99Å | ||
| 666 | R | 74.3 | Confident | 77.1 | Confident | 203 Ų | 203 | 66.4 Ų | 66.4 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.8 | -176.1 | -68.6 | -177.4 | -179.8 | 177.4 | -0.1 | 113.6 | A668 M669 Q670 | R666-A668 VanDerWaalsContact C-N 3.3Å; R666-A668 PolarHBondContact O-N 2.84Å; R666-M669 PolarHBondContact O-N 2.94Å; R666-Q670 PolarHBondContact O-N 3.49Å |
| 667 | I | 79.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -34.7 | -179.1 | -168.6 | 171.7 | 0 | 0 | 0 | 112.4 | T637 L641 C664 G665 M669 Q670 M671 V769 T774 | T637-I667 WeakPolarHBondContact O-CD1 3.49Å; L641-I667 HydrophobicContact CB-CD1 3.67Å; L641-I667 HydrophobicContact CD1-CD1 3.91Å; L641-I667 HydrophobicContact CD1-CG2 4.26Å; L641-I667 HydrophobicContact CG-CD1 4.29Å; C664-I667 VanDerWaalsContact O-CG2 3.26Å; C664-I667 WeakPolarHBondContact O-CG2 3.21Å; G665-I667 PolarHBondContact O-N 2.99Å; I667-M669 VanDerWaalsContact C-N 3.3Å; I667-M669 PolarHBondContact O-N 2.9Å; I667-Q670 PolarHBondContact O-N 3.38Å; I667-Q670 VanDerWaalsContact O-N 3.16Å; I667-M671 HydrophobicContact CD1-CE 3.99Å; I667-M671 HydrophobicContact CG1-CE 4.01Å; I667-M671 HydrophobicContact CG1-CG 4.08Å; I667-M671 WeakPolarHBondContact O-CB 3.12Å; I667-M671 WeakPolarHBondContact O-CG 3.37Å; I667-M671 PolarHBondContact O-N 3.01Å; I667-V769 HydrophobicContact CD1-CG1 4.44Å; I667-V769 HydrophobicContact CG2-CG1 3.75Å; I667-T774 HydrophobicContact CD1-CG2 4.42Å |
| 668 | A | 78.4 | Confident | 79.7 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C664 R666 R672 L722 | C664-A668 HydrophobicContact CB-CB 4.37Å; R666-A668 VanDerWaalsContact C-N 3.3Å; R666-A668 PolarHBondContact O-N 2.84Å; A668-R672 PolarHBondContact O-N 3.11Å; A668-L722 WeakPolarHBondContact O-CD2 3.41Å |
| 669 | M | 81.6 | Confident | 81.3 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | 175.4 | -174.4 | 64.4 | -171.5 | 0 | 0 | 111.6 | R666 I667 M671 R672 V673 | R666-M669 PolarHBondContact O-N 2.94Å; I667-M669 VanDerWaalsContact C-N 3.3Å; I667-M669 PolarHBondContact O-N 2.9Å; M669-M671 VanDerWaalsContact C-N 3.33Å; M669-R672 WeakPolarHBondContact O-CB 3.38Å; M669-R672 PolarHBondContact O-N 3.36Å; M669-V673 WeakPolarHBondContact O-CG2 3.43Å; M669-V673 PolarHBondContact O-N 3.13Å; M669-V673 VanDerWaalsContact O-N 3.09Å |
| 670 | Q | 87.4 | Confident | 82.9 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 176.3 | -68.8 | 178.2 | -27.9 | 0 | 0 | 111.8 | T637 S640 R666 I667 R672 V673 S674 | T637-Q670 HydrophobicContact CG2-CB 3.89Å; S640-Q670 PolarHBondContact OG-OE1 3.49Å; R666-Q670 PolarHBondContact O-N 3.49Å; I667-Q670 PolarHBondContact O-N 3.38Å; I667-Q670 VanDerWaalsContact O-N 3.16Å; Q670-R672 VanDerWaalsContact C-N 3.35Å; Q670-V673 WeakPolarHBondContact O-CB 3.41Å; Q670-V673 PolarHBondContact O-N 3.01Å; Q670-S674 PolarHBondContact O-N 3.46Å; Q670-S674 PolarHBondContact O-OG 3.46Å |
| 671 | M | 88.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 174.6 | -71.7 | -67.7 | -179.8 | 0 | 0 | 111.9 | L634 I667 M669 S674 M675 I717 I721 L777 | L634-M671 HydrophobicContact CD1-CE 4.41Å; L634-M671 HydrophobicContact CD1-SD 3.88Å; I667-M671 HydrophobicContact CD1-CE 3.99Å; I667-M671 HydrophobicContact CG1-CE 4.01Å; I667-M671 HydrophobicContact CG1-CG 4.08Å; I667-M671 WeakPolarHBondContact O-CB 3.12Å; I667-M671 WeakPolarHBondContact O-CG 3.37Å; I667-M671 PolarHBondContact O-N 3.01Å; M669-M671 VanDerWaalsContact C-N 3.33Å; M671-S674 PolarHBondContact O-N 3.47Å; M671-M675 WeakPolarHBondContact O-CB 3.41Å; M671-M675 PolarHBondContact O-N 2.93Å; M671-I717 HydrophobicContact CB-CG2 3.89Å; M671-I717 WeakPolarHBondContact O-CG2 3.36Å; M671-I717 HydrophobicContact SD-CG2 4.45Å; M671-I721 HydrophobicContact CB-CD1 4.45Å; M671-I721 HydrophobicContact CB-CG2 3.98Å; M671-I721 HydrophobicContact CE-CD1 3.76Å; M671-I721 HydrophobicContact CG-CD1 3.72Å; M671-I721 HydrophobicContact CG-CG2 4.02Å; M671-I721 HydrophobicContact SD-CD1 3.66Å; M671-L777 HydrophobicContact CE-CD1 4.21Å; M671-L777 HydrophobicContact SD-CD1 4.34Å |
| 672 | R | 89.4 | Confident | 86.2 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -45 | 171.7 | -176.9 | 176.9 | -67.7 | 179.8 | -5.1 | 112 | L661 A668 M669 Q670 S674 M675 D676 L722 | L661-R672 VanDerWaalsContact CD1-NH2 3.34Å; A668-R672 PolarHBondContact O-N 3.11Å; M669-R672 WeakPolarHBondContact O-CB 3.38Å; M669-R672 PolarHBondContact O-N 3.36Å; Q670-R672 VanDerWaalsContact C-N 3.35Å; R672-S674 PolarHBondContact O-N 3.5Å; R672-M675 HydrophobicContact CG-CE 4.34Å; R672-M675 WeakPolarHBondContact O-CB 3.28Å; R672-M675 PolarHBondContact O-N 3.01Å; R672-D676 PolarHBondContact O-N 3.28Å; R672-L722 HydrophobicContact CB-CD1 4.21Å; R672-L722 HydrophobicContact CB-CD2 4.49Å |
| 673 | V | 92.7 | Very high | 87.7 | Confident | 85 Ų | 85 | 54 Ų | 54 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | M669 Q670 M675 D676 E677 | M669-V673 WeakPolarHBondContact O-CG2 3.43Å; M669-V673 PolarHBondContact O-N 3.13Å; M669-V673 VanDerWaalsContact O-N 3.09Å; Q670-V673 WeakPolarHBondContact O-CB 3.41Å; Q670-V673 PolarHBondContact O-N 3.01Å; V673-M675 PolarHBondContact O-N 3.46Å; V673-D676 PolarHBondContact O-N 3.32Å; V673-E677 WeakPolarHBondContact O-CB 3.37Å; V673-E677 PolarHBondContact O-N 3.43Å |
| 674 | S | 94.5 | Very high | 89.3 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | Q670 M671 R672 E677 F678 | Q670-S674 PolarHBondContact O-N 3.46Å; Q670-S674 PolarHBondContact O-OG 3.46Å; M671-S674 PolarHBondContact O-N 3.47Å; R672-S674 PolarHBondContact O-N 3.5Å; S674-E677 PolarHBondContact O-N 3.37Å; S674-F678 WeakPolarHBondContact O-CD2 3.43Å; S674-F678 PolarHBondContact O-N 3.24Å |
| 675 | M | 94.6 | Very high | 91 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 176.3 | -178.6 | -164.5 | 69.3 | 0 | 0 | 111.6 | M671 R672 V673 E677 F678 R679 S714 I717 E718 L722 | M671-M675 WeakPolarHBondContact O-CB 3.41Å; M671-M675 PolarHBondContact O-N 2.93Å; R672-M675 HydrophobicContact CG-CE 4.34Å; R672-M675 WeakPolarHBondContact O-CB 3.28Å; R672-M675 PolarHBondContact O-N 3.01Å; V673-M675 PolarHBondContact O-N 3.46Å; M675-E677 VanDerWaalsContact C-N 3.3Å; M675-E677 PolarHBondContact O-N 2.97Å; M675-F678 PolarHBondContact O-N 2.96Å; M675-R679 WeakPolarHBondContact O-CG 3.38Å; M675-R679 PolarHBondContact O-N 2.99Å; M675-S714 VanDerWaalsContact CG-OG 3.27Å; M675-S714 WeakPolarHBondContact CG-OG 3.46Å; M675-I717 HydrophobicContact CB-CB 4.39Å; M675-I717 HydrophobicContact CB-CD1 4.43Å; M675-I717 HydrophobicContact CB-CG2 4.01Å; M675-E718 HydrophobicContact SD-CB 4.02Å; M675-E718 HydrophobicContact SD-CG 4.39Å; M675-L722 HydrophobicContact CE-CD1 4.09Å; M675-L722 HydrophobicContact SD-CD1 3.67Å |
| 676 | D | 95.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.7 | -68.3 | -27.3 | 0 | 0 | 0 | 111.4 | R672 V673 R679 S680 | R672-D676 PolarHBondContact O-N 3.28Å; V673-D676 PolarHBondContact O-N 3.32Å; D676-R679 PolarHBondContact O-N 3.34Å; D676-S680 WeakPolarHBondContact O-CB 3.17Å; D676-S680 PolarHBondContact O-N 2.93Å |
| 677 | E | 97.6 | Very high | 93.3 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | 173.7 | -174.6 | 60.6 | -155.5 | 0 | 0 | 111.8 | V673 S674 M675 R679 S680 L681 | V673-E677 WeakPolarHBondContact O-CB 3.37Å; V673-E677 PolarHBondContact O-N 3.43Å; S674-E677 PolarHBondContact O-N 3.37Å; M675-E677 VanDerWaalsContact C-N 3.3Å; M675-E677 PolarHBondContact O-N 2.97Å; E677-R679 VanDerWaalsContact C-N 3.34Å; E677-R679 PolarHBondContact O-N 3.33Å; E677-S680 WeakPolarHBondContact O-CB 3.44Å; E677-S680 PolarHBondContact O-N 3.37Å; E677-L681 HydrophobicContact CG-CD1 4.5Å; E677-L681 WeakPolarHBondContact O-CG 3.36Å; E677-L681 PolarHBondContact O-N 3.47Å |
| 678 | F | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -33.4 | 176.8 | -76.1 | -65.4 | 0 | 0 | 0 | 113.1 | L631 L634 S674 M675 L681 A682 C710 V713 I717 | L631-F678 HydrophobicContact CD2-CE1 4Å; L631-F678 HydrophobicContact CD2-CZ 3.82Å; L631-F678 HydrophobicContact CG-CE1 4.28Å; L631-F678 HydrophobicContact CG-CZ 4.23Å; L634-F678 HydrophobicContact CB-CE2 4.39Å; L634-F678 HydrophobicContact CD2-CE2 4.04Å; L634-F678 HydrophobicContact CD2-CZ 4.43Å; S674-F678 WeakPolarHBondContact O-CD2 3.43Å; S674-F678 PolarHBondContact O-N 3.24Å; M675-F678 PolarHBondContact O-N 2.96Å; F678-L681 HydrophobicContact CD1-CD1 4.01Å; F678-L681 HydrophobicContact CE1-CD1 4.34Å; F678-L681 PolarHBondContact O-N 2.89Å; F678-A682 WeakPolarHBondContact O-CB 3.42Å; F678-A682 PolarHBondContact O-N 3.31Å; F678-C710 HydrophobicContact CD1-CB 4.33Å; F678-V713 HydrophobicContact CD1-CB 4.48Å; F678-V713 HydrophobicContact CD1-CG1 4.43Å; F678-V713 HydrophobicContact CD2-CB 4.32Å; F678-V713 HydrophobicContact CD2-CG1 3.59Å; F678-V713 HydrophobicContact CE1-CG1 4.29Å; F678-V713 HydrophobicContact CE2-CB 4.43Å; F678-V713 HydrophobicContact CE2-CG1 3.44Å; F678-V713 VanDerWaalsContact CE2-CG1 3.44Å; F678-V713 HydrophobicContact CG-CB 4.37Å; F678-V713 HydrophobicContact CG-CG1 4.12Å; F678-V713 HydrophobicContact CZ-CG1 3.81Å; F678-I717 HydrophobicContact CD2-CD1 4.24Å |
| 679 | R | 97.7 | Very high | 95.1 | Very high | 94 Ų | 94 | 47.9 Ų | 47.9 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -41.3 | 171.1 | -71.7 | 176.8 | 177 | 177.3 | -4.2 | 111.5 | M675 D676 E677 A682 A683 S714 E718 | M675-R679 WeakPolarHBondContact O-CG 3.38Å; M675-R679 PolarHBondContact O-N 2.99Å; D676-R679 PolarHBondContact O-N 3.34Å; E677-R679 VanDerWaalsContact C-N 3.34Å; E677-R679 PolarHBondContact O-N 3.33Å; R679-A682 PolarHBondContact O-N 2.98Å; R679-A683 PolarHBondContact O-N 2.95Å; R679-S714 WeakPolarHBondContact CG-OG 3.37Å; R679-S714 PolarHBondContact NE-OG 2.71Å; R679-E718 IonicContact CZ-OE1 2.63Å; R679-E718 IonicContact NH2-OE1 2.99Å; R679-E718 PolarHBondContact NH2-OE1 2.87Å; R679-E718 IonicContact NH2-OE2 2.87Å; R679-E718 PolarHBondContact NH2-OE2 3.19Å |
| 680 | S | 98.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | D676 E677 A682 A683 R684 | D676-S680 WeakPolarHBondContact O-CB 3.17Å; D676-S680 PolarHBondContact O-N 2.93Å; E677-S680 WeakPolarHBondContact O-CB 3.44Å; E677-S680 PolarHBondContact O-N 3.37Å; S680-A682 PolarHBondContact O-N 3.44Å; S680-A683 PolarHBondContact O-N 2.95Å; S680-R684 WeakPolarHBondContact O-CG 3.27Å; S680-R684 PolarHBondContact O-N 3.27Å |
| 681 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 174.3 | -72.7 | 171.1 | 0 | 0 | 0 | 111.9 | L623 D626 E677 F678 A683 R684 Y685 | L623-L681 HydrophobicContact CD2-CD2 4.4Å; D626-L681 HydrophobicContact CB-CD2 3.61Å; E677-L681 HydrophobicContact CG-CD1 4.5Å; E677-L681 WeakPolarHBondContact O-CG 3.36Å; E677-L681 PolarHBondContact O-N 3.47Å; F678-L681 HydrophobicContact CD1-CD1 4.01Å; F678-L681 HydrophobicContact CE1-CD1 4.34Å; F678-L681 PolarHBondContact O-N 2.89Å; L681-A683 VanDerWaalsContact C-N 3.32Å; L681-A683 PolarHBondContact O-N 3.32Å; L681-R684 PolarHBondContact O-N 2.92Å; L681-Y685 VanDerWaalsContact O-CD2 3.29Å; L681-Y685 WeakPolarHBondContact O-CD2 3.47Å; L681-Y685 PolarHBondContact O-N 3.21Å |
| 682 | A | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F678 R679 S680 Y685 A686 Q707 C710 L711 | F678-A682 WeakPolarHBondContact O-CB 3.42Å; F678-A682 PolarHBondContact O-N 3.31Å; R679-A682 PolarHBondContact O-N 2.98Å; S680-A682 PolarHBondContact O-N 3.44Å; A682-Y685 PolarHBondContact O-N 3.05Å; A682-A686 PolarHBondContact O-N 3.4Å; A682-A686 VanDerWaalsContact O-N 3.07Å; A682-Q707 HydrophobicContact CB-CG 4.03Å; A682-Q707 WeakPolarHBondContact O-CG 3.4Å; A682-Q707 PolarHBondContact O-NE2 2.97Å; A682-C710 HydrophobicContact CB-CB 4.12Å; A682-L711 HydrophobicContact CB-CD1 4.49Å; A682-L711 HydrophobicContact CB-CD2 3.57Å; A682-L711 HydrophobicContact CB-CG 3.68Å |
| 683 | A | 98.2 | Very high | 96.7 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 44% | 0.438 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R679 S680 L681 Y685 A686 D687 | R679-A683 PolarHBondContact O-N 2.95Å; S680-A683 PolarHBondContact O-N 2.95Å; L681-A683 VanDerWaalsContact C-N 3.32Å; L681-A683 PolarHBondContact O-N 3.32Å; A683-Y685 PolarHBondContact O-N 3.01Å; A683-A686 WeakPolarHBondContact O-CB 3.4Å; A683-A686 PolarHBondContact O-N 3.47Å; A683-A686 VanDerWaalsContact O-N 3.15Å; A683-D687 PolarHBondContact O-N 3.34Å |
| 684 | R | 98.3 | Very high | 96.7 | Very high | 90 Ų | 90 | 35.6 Ų | 35.6 | 34% | 0.34 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.6 | -32.7 | 177.4 | -66.1 | 169.4 | 59.2 | -162.2 | -6.3 | 113 | L623 D626 S680 L681 D687 L688 | L623-R684 HydrophobicContact CD2-CB 3.55Å; D626-R684 IonicContact OD2-CZ 3.86Å; D626-R684 VanDerWaalsContact OD2-CZ 3.23Å; D626-R684 IonicContact OD2-NH1 3.79Å; D626-R684 PolarHBondContact OD2-NH1 3.32Å; D626-R684 IonicContact OD2-NH2 3.23Å; D626-R684 PolarHBondContact OD2-NH2 3.13Å; S680-R684 WeakPolarHBondContact O-CG 3.27Å; S680-R684 PolarHBondContact O-N 3.27Å; L681-R684 PolarHBondContact O-N 2.92Å; R684-D687 PolarHBondContact O-N 3.47Å; R684-L688 PolarHBondContact O-N 3.24Å |
| 685 | Y | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 170 | -84 | -62.9 | 0 | 0 | 0 | 111.9 | L623 T627 L681 A682 A683 L688 Y689 V703 Q706 | L623-Y685 HydrophobicContact CB-CD1 4.33Å; L623-Y685 HydrophobicContact CB-CE1 3.66Å; L623-Y685 HydrophobicContact CB-CE2 4.28Å; L623-Y685 HydrophobicContact CD1-CD1 3.67Å; L623-Y685 HydrophobicContact CD1-CE1 3.82Å; L623-Y685 HydrophobicContact CD1-CG 4.19Å; L623-Y685 HydrophobicContact CG-CE1 4.33Å; L623-Y685 PolarHBondContact O-OH 3.4Å; T627-Y685 PolarHBondContact OG1-OH 3.16Å; L681-Y685 VanDerWaalsContact O-CD2 3.29Å; L681-Y685 WeakPolarHBondContact O-CD2 3.47Å; L681-Y685 PolarHBondContact O-N 3.21Å; A682-Y685 PolarHBondContact O-N 3.05Å; A683-Y685 PolarHBondContact O-N 3.01Å; Y685-L688 PolarHBondContact O-N 3.05Å; Y685-Y689 PolarHBondContact O-N 3.28Å; Y685-V703 HydrophobicContact CD1-CG1 4.23Å; Y685-V703 WeakPolarHBondContact O-CG1 3.25Å; Y685-Q706 HydrophobicContact CD1-CB 4.22Å; Y685-Q706 HydrophobicContact CE1-CB 3.83Å; Y685-Q706 HydrophobicContact CE2-CB 4.24Å |
| 686 | A | 97.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 21% | 0.207 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A682 A683 Y689 Q690 Q707 | A682-A686 PolarHBondContact O-N 3.4Å; A682-A686 VanDerWaalsContact O-N 3.07Å; A683-A686 WeakPolarHBondContact O-CB 3.4Å; A683-A686 PolarHBondContact O-N 3.47Å; A683-A686 VanDerWaalsContact O-N 3.15Å; A686-Y689 WeakPolarHBondContact O-CB 3.46Å; A686-Y689 PolarHBondContact O-N 2.79Å; A686-Q690 WeakPolarHBondContact O-CG 3.08Å; A686-Q690 PolarHBondContact O-N 2.91Å; A686-Q707 VanDerWaalsContact CB-NE2 3.29Å |
| 687 | D | 96.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.8 | -75.1 | -33 | 0 | 0 | 0 | 111.6 | A683 R684 Y689 Q690 S691 K920 | A683-D687 PolarHBondContact O-N 3.34Å; R684-D687 PolarHBondContact O-N 3.47Å; D687-Y689 VanDerWaalsContact C-N 3.32Å; D687-Y689 PolarHBondContact O-N 2.88Å; D687-Q690 PolarHBondContact O-N 3.05Å; D687-S691 WeakPolarHBondContact O-CB 3.49Å; D687-S691 PolarHBondContact O-N 3.31Å; D687-S691 PolarHBondContact O-OG 2.96Å; D687-K920 IonicContact OD1-NZ 3.56Å; D687-K920 PolarHBondContact OD1-NZ 3.27Å |
| 688 | L | 97.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 173.4 | -178.5 | 63.4 | 0 | 0 | 0 | 110.9 | Y616 D619 F620 L623 R684 Y685 S691 S692 V703 | Y616-L688 HydrophobicContact CD2-CD1 3.79Å; Y616-L688 HydrophobicContact CD2-CG 4.4Å; Y616-L688 HydrophobicContact CE2-CD1 4.04Å; Y616-L688 HydrophobicContact CE2-CD2 4.19Å; Y616-L688 HydrophobicContact CE2-CG 4.15Å; D619-L688 HydrophobicContact CB-CD1 4.08Å; F620-L688 HydrophobicContact CB-CD2 4.01Å; F620-L688 HydrophobicContact CD2-CD2 4.02Å; L623-L688 HydrophobicContact CD1-CB 4.06Å; L623-L688 HydrophobicContact CD1-CD2 3.82Å; R684-L688 PolarHBondContact O-N 3.24Å; Y685-L688 PolarHBondContact O-N 3.05Å; L688-S691 WeakPolarHBondContact CA-OG 3.37Å; L688-S691 PolarHBondContact O-N 3.38Å; L688-S691 PolarHBondContact O-OG 3.31Å; L688-S692 VanDerWaalsContact O-CB 3.32Å; L688-S692 WeakPolarHBondContact O-CB 3.48Å; L688-S692 PolarHBondContact O-N 2.83Å; L688-S692 PolarHBondContact O-OG 3.46Å; L688-V703 HydrophobicContact CD2-CG2 4.45Å |
| 689 | Y | 97.4 | Very high | 96.4 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.7 | -57 | 174.1 | -174.1 | -80.8 | 0 | 0 | 0 | 110.8 | Y685 A686 D687 S691 S692 L700 V703 E704 W919 | Y685-Y689 PolarHBondContact O-N 3.28Å; A686-Y689 WeakPolarHBondContact O-CB 3.46Å; A686-Y689 PolarHBondContact O-N 2.79Å; D687-Y689 VanDerWaalsContact C-N 3.32Å; D687-Y689 PolarHBondContact O-N 2.88Å; Y689-S691 VanDerWaalsContact C-N 3.27Å; Y689-S691 PolarHBondContact O-N 3.33Å; Y689-S692 WeakPolarHBondContact O-CB 3.43Å; Y689-S692 PolarHBondContact O-N 3.39Å; Y689-L700 HydrophobicContact CD1-CD2 4.49Å; Y689-L700 HydrophobicContact CD2-CB 4.23Å; Y689-L700 HydrophobicContact CD2-CD2 3.82Å; Y689-L700 HydrophobicContact CE1-CD2 4.47Å; Y689-L700 HydrophobicContact CE2-CB 3.61Å; Y689-L700 HydrophobicContact CE2-CD2 3.82Å; Y689-L700 HydrophobicContact CE2-CG 4.17Å; Y689-L700 HydrophobicContact CG-CD2 4.19Å; Y689-V703 HydrophobicContact CD2-CB 4.46Å; Y689-V703 HydrophobicContact CD2-CG1 4.36Å; Y689-E704 HydrophobicContact CD2-CG 3.93Å; Y689-E704 HydrophobicContact CE2-CG 3.54Å; Y689-E704 WeakPolarHBondContact CE2-OE1 3.17Å; Y689-E704 PolarHBondContact OH-OE1 3.38Å; Y689-W919 HydrophobicContact CD1-CH2 4.11Å; Y689-W919 AromaticContact CD1-CZ3 3.92Å; Y689-W919 HydrophobicContact CD1-CZ3 3.92Å; Y689-W919 AromaticContact CE1-CH2 3.54Å; Y689-W919 HydrophobicContact CE1-CH2 3.54Å; Y689-W919 HydrophobicContact CE1-CZ2 4.4Å; Y689-W919 AromaticContact CE1-CZ3 3.85Å; Y689-W919 HydrophobicContact CE1-CZ3 3.85Å; Y689-W919 WeakPolarHBondContact O-CZ3 3.44Å |
| 690 | Q | 95.5 | Very high | 96.4 | Very high | 62 Ų | 62 | 29.4 Ų | 29.4 | 29% | 0.29 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.4 | -27.1 | -176.8 | -72.1 | -179.9 | -14 | 0 | 0 | 113.6 | A686 D687 S692 W919 K920 | A686-Q690 WeakPolarHBondContact O-CG 3.08Å; A686-Q690 PolarHBondContact O-N 2.91Å; D687-Q690 PolarHBondContact O-N 3.05Å; Q690-S692 VanDerWaalsContact C-N 3.3Å; Q690-W919 CarbonylContact O-C 3.57Å; Q690-W919 WeakPolarHBondContact O-CA 3.31Å; Q690-W919 WeakPolarHBondContact O-CB 3.27Å; Q690-K920 HydrophobicContact CB-CB 4.48Å; Q690-K920 HydrophobicContact CB-CD 4.47Å; Q690-K920 HydrophobicContact CB-CG 4.31Å; Q690-K920 PolarHBondContact O-N 2.66Å |
| 691 | S | 95 | Very high | 96.3 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 34% | 0.336 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -76.8 | -16.4 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | D687 L688 Y689 F693 T921 | D687-S691 WeakPolarHBondContact O-CB 3.49Å; D687-S691 PolarHBondContact O-N 3.31Å; D687-S691 PolarHBondContact O-OG 2.96Å; L688-S691 WeakPolarHBondContact CA-OG 3.37Å; L688-S691 PolarHBondContact O-N 3.38Å; L688-S691 PolarHBondContact O-OG 3.31Å; Y689-S691 VanDerWaalsContact C-N 3.27Å; Y689-S691 PolarHBondContact O-N 3.33Å; S691-F693 PolarHBondContact O-N 2.84Å; S691-T921 PolarHBondContact O-OG1 2.98Å |
| 692 | S | 95.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | trans | -97.4 | 44.6 | -170.9 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | Y616 L688 Y689 Q690 D694 A695 | Y616-S692 WeakPolarHBondContact CD2-OG 3.34Å; Y616-S692 WeakPolarHBondContact CE2-OG 3.39Å; L688-S692 VanDerWaalsContact O-CB 3.32Å; L688-S692 WeakPolarHBondContact O-CB 3.48Å; L688-S692 PolarHBondContact O-N 2.83Å; L688-S692 PolarHBondContact O-OG 3.46Å; Y689-S692 WeakPolarHBondContact O-CB 3.43Å; Y689-S692 PolarHBondContact O-N 3.39Å; Q690-S692 VanDerWaalsContact C-N 3.3Å; S692-D694 PolarHBondContact O-N 2.82Å; S692-A695 VanDerWaalsContact O-CB 3.29Å; S692-A695 WeakPolarHBondContact O-CB 3.48Å; S692-A695 PolarHBondContact O-N 3.35Å | ||
| 693 | F | 94.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -31.3 | -178.2 | 177.1 | -102.5 | 0 | 0 | 0 | 114.5 | S691 T802 R845 I847 V911 D913 W919 T921 | S691-F693 PolarHBondContact O-N 2.84Å; F693-T802 HydrophobicContact CD1-CG2 4.23Å; F693-T802 HydrophobicContact CE1-CG2 3.96Å; F693-T802 WeakPolarHBondContact CE1-OG1 3.47Å; F693-R845 HydrophobicContact CE2-CB 3.87Å; F693-R845 HydrophobicContact CZ-CB 3.88Å; F693-R845 PolarHBondContact O-NE 3.47Å; F693-R845 VanDerWaalsContact O-NE 3.13Å; F693-R845 PolarHBondContact O-NH2 3.05Å; F693-I847 HydrophobicContact CE1-CG1 4.22Å; F693-I847 HydrophobicContact CZ-CG1 3.81Å; F693-V911 HydrophobicContact CB-CG2 4.45Å; F693-V911 HydrophobicContact CD1-CG2 4.47Å; F693-V911 HydrophobicContact CD2-CG2 3.66Å; F693-V911 HydrophobicContact CE2-CG2 3.93Å; F693-V911 HydrophobicContact CG-CG2 3.94Å; F693-V911 HydrophobicContact CZ-CG2 4.46Å; F693-D913 HydrophobicContact CE2-CB 4.24Å; F693-W919 HydrophobicContact CB-CB 4.2Å; F693-W919 HydrophobicContact CB-CD2 4.3Å; F693-W919 HydrophobicContact CB-CE3 4.26Å; F693-W919 HydrophobicContact CB-CG 4.29Å; F693-W919 HydrophobicContact CD2-CB 4.06Å; F693-W919 AromaticContact CD2-CD1 3.63Å; F693-W919 AromaticContact CD2-CD2 3.87Å; F693-W919 HydrophobicContact CD2-CD2 3.87Å; F693-W919 AromaticContact CD2-CG 3.58Å; F693-W919 HydrophobicContact CD2-CG 3.58Å; F693-W919 AromaticContact CD2-NE1 3.92Å; F693-W919 HydrophobicContact CE2-CG 4.45Å; F693-W919 HydrophobicContact CG-CG 4.42Å; F693-T921 HydrophobicContact CB-CG2 4.03Å; F693-T921 VanDerWaalsContact CB-OG1 3.27Å; F693-T921 WeakPolarHBondContact CB-OG1 3.46Å |
| 694 | D | 93.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.3 | -176.7 | -69.9 | -35.5 | 0 | 0 | 0 | 114.4 | S692 Y794 K798 Q800 S801 T802 | S692-D694 PolarHBondContact O-N 2.82Å; D694-Y794 HydrophobicContact CB-CE2 3.84Å; D694-Y794 WeakPolarHBondContact O-CE2 3.26Å; D694-K798 WeakPolarHBondContact OD2-CE 3.38Å; D694-K798 IonicContact OD2-NZ 3.58Å; D694-K798 PolarHBondContact OD2-NZ 2.92Å; D694-Q800 HydrophobicContact CB-CB 4.39Å; D694-Q800 VanDerWaalsContact CB-O 3.28Å; D694-Q800 WeakPolarHBondContact CB-O 3.48Å; D694-Q800 WeakPolarHBondContact OD1-CG 3.36Å; D694-S801 WeakPolarHBondContact OD2-CA 3.49Å; D694-T802 VanDerWaalsContact OD1-CB 3.31Å; D694-T802 WeakPolarHBondContact OD1-CB 3.47Å; D694-T802 PolarHBondContact OD1-N 3.3Å; D694-T802 PolarHBondContact OD1-OG1 2.92Å; D694-T802 PolarHBondContact OD2-N 3.14Å |
| 695 | A | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -75.6 | 143.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S692 T699 L700 Y794 R845 | S692-A695 VanDerWaalsContact O-CB 3.29Å; S692-A695 WeakPolarHBondContact O-CB 3.48Å; S692-A695 PolarHBondContact O-N 3.35Å; A695-T699 HydrophobicContact CB-CG2 3.95Å; A695-L700 HydrophobicContact CB-CD2 4.06Å; A695-L700 HydrophobicContact CB-CG 4.16Å; A695-Y794 HydrophobicContact CB-CD1 3.64Å; A695-Y794 HydrophobicContact CB-CD2 4.07Å; A695-Y794 HydrophobicContact CB-CE1 3.95Å; A695-Y794 HydrophobicContact CB-CE2 4.32Å; A695-Y794 HydrophobicContact CB-CG 3.7Å; A695-R845 PolarHBondContact O-NH2 2.93Å | ||
| 696 | D | 94.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 25.1 Ų | 25.1 | 10% | 0.102 | 14% | 0.143 | C | C | . | . | trans | -71 | 166.9 | 176.4 | 62.4 | 9.9 | 0 | 0 | 0 | 112.9 | A698 T699 L700 R793 F844 | D696-A698 VanDerWaalsContact C-N 3.28Å; D696-A698 PolarHBondContact O-N 3.15Å; D696-T699 WeakPolarHBondContact O-CB 3.28Å; D696-T699 PolarHBondContact O-N 3.18Å; D696-T699 VanDerWaalsContact O-N 3.09Å; D696-T699 VanDerWaalsContact OD1-CB 3.23Å; D696-T699 WeakPolarHBondContact OD1-CB 3.5Å; D696-T699 PolarHBondContact OD1-N 3.07Å; D696-T699 PolarHBondContact OD1-OG1 2.94Å; D696-L700 PolarHBondContact O-N 3.44Å; D696-R793 WeakPolarHBondContact OD2-CB 3.42Å; D696-R793 VanDerWaalsContact OD2-CD 3.22Å; D696-R793 WeakPolarHBondContact OD2-CD 3.31Å; D696-F844 HydrophobicContact CB-CE1 4.02Å; D696-F844 HydrophobicContact CB-CE2 4.1Å; D696-F844 HydrophobicContact CB-CZ 3.76Å | ||
| 697 | S | 93.4 | Very high | 96 | Very high | 78 Ų | 78 | 26 Ų | 26 | 55% | 0.545 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56.6 | -40.6 | -177.2 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | T699 L700 R701 | S697-T699 VanDerWaalsContact C-N 3.35Å; S697-T699 PolarHBondContact O-N 2.86Å; S697-L700 PolarHBondContact O-N 2.91Å; S697-R701 WeakPolarHBondContact O-CB 3.49Å; S697-R701 PolarHBondContact O-N 3.46Å |
| 698 | A | 93.6 | Very high | 95.9 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 34% | 0.339 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D696 N702 | D696-A698 VanDerWaalsContact C-N 3.28Å; D696-A698 PolarHBondContact O-N 3.15Å; A698-N702 WeakPolarHBondContact O-CB 3.48Å; A698-N702 PolarHBondContact O-N 2.98Å |
| 699 | T | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 175 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Y616 A695 D696 S697 R701 N702 V703 Q792 Y794 | Y616-T699 HydrophobicContact CE1-CG2 4.39Å; Y616-T699 HydrophobicContact CE2-CG2 4.34Å; Y616-T699 WeakPolarHBondContact OH-CG2 3.13Å; A695-T699 HydrophobicContact CB-CG2 3.95Å; D696-T699 WeakPolarHBondContact O-CB 3.28Å; D696-T699 PolarHBondContact O-N 3.18Å; D696-T699 VanDerWaalsContact O-N 3.09Å; D696-T699 VanDerWaalsContact OD1-CB 3.23Å; D696-T699 WeakPolarHBondContact OD1-CB 3.5Å; D696-T699 PolarHBondContact OD1-N 3.07Å; D696-T699 PolarHBondContact OD1-OG1 2.94Å; S697-T699 VanDerWaalsContact C-N 3.35Å; S697-T699 PolarHBondContact O-N 2.86Å; T699-R701 VanDerWaalsContact C-N 3.33Å; T699-R701 PolarHBondContact O-N 3.38Å; T699-N702 WeakPolarHBondContact O-CB 3.47Å; T699-N702 PolarHBondContact O-N 3Å; T699-V703 PolarHBondContact O-N 3.4Å; T699-Q792 HydrophobicContact CG2-CB 4.32Å; T699-Q792 VanDerWaalsContact OG1-CB 3.24Å; T699-Q792 WeakPolarHBondContact OG1-CB 3.26Å; T699-Y794 HydrophobicContact CG2-CD1 4.22Å; T699-Y794 HydrophobicContact CG2-CG 4.38Å; T699-Y794 WeakPolarHBondContact OG1-CB 3.36Å; T699-Y794 PolarHBondContact OG1-N 2.78Å |
| 700 | L | 96.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 178.9 | -70.2 | 178.3 | 0 | 0 | 0 | 111.5 | Y689 A695 D696 S697 N702 V703 E704 W919 | Y689-L700 HydrophobicContact CD1-CD2 4.49Å; Y689-L700 HydrophobicContact CD2-CB 4.23Å; Y689-L700 HydrophobicContact CD2-CD2 3.82Å; Y689-L700 HydrophobicContact CE1-CD2 4.47Å; Y689-L700 HydrophobicContact CE2-CB 3.61Å; Y689-L700 HydrophobicContact CE2-CD2 3.82Å; Y689-L700 HydrophobicContact CE2-CG 4.17Å; Y689-L700 HydrophobicContact CG-CD2 4.19Å; A695-L700 HydrophobicContact CB-CD2 4.06Å; A695-L700 HydrophobicContact CB-CG 4.16Å; D696-L700 PolarHBondContact O-N 3.44Å; S697-L700 PolarHBondContact O-N 2.91Å; L700-N702 VanDerWaalsContact C-N 3.31Å; L700-N702 PolarHBondContact O-N 2.88Å; L700-V703 PolarHBondContact O-N 3.16Å; L700-V703 VanDerWaalsContact O-N 3.17Å; L700-E704 WeakPolarHBondContact O-CG 3.32Å; L700-E704 PolarHBondContact O-N 3.15Å; L700-W919 HydrophobicContact CD1-CH2 3.71Å; L700-W919 HydrophobicContact CD1-CZ3 4.35Å; L700-W919 HydrophobicContact CD2-CH2 4.13Å; L700-W919 HydrophobicContact CD2-CZ3 3.99Å |
| 701 | R | 95.6 | Very high | 96 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 19% | 0.185 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 176 | -173.3 | 57.8 | 177.7 | 145 | 8.8 | 112.4 | S697 T699 E704 L705 E745 | S697-R701 WeakPolarHBondContact O-CB 3.49Å; S697-R701 PolarHBondContact O-N 3.46Å; T699-R701 VanDerWaalsContact C-N 3.33Å; T699-R701 PolarHBondContact O-N 3.38Å; R701-E704 VanDerWaalsContact CD-OE2 3.31Å; R701-E704 WeakPolarHBondContact CD-OE2 3.36Å; R701-E704 IonicContact CZ-OE2 3.66Å; R701-E704 IonicContact NH1-OE2 3.82Å; R701-E704 PolarHBondContact NH1-OE2 2.83Å; R701-E704 VanDerWaalsContact NH1-OE2 3.1Å; R701-E704 WeakPolarHBondContact O-CB 3.26Å; R701-E704 PolarHBondContact O-N 3.24Å; R701-L705 HydrophobicContact CG-CD1 4.41Å; R701-L705 VanDerWaalsContact O-CG 3.28Å; R701-L705 WeakPolarHBondContact O-CG 3.32Å; R701-L705 PolarHBondContact O-N 3.35Å; R701-E745 IonicContact CZ-OE1 3.89Å; R701-E745 VanDerWaalsContact CZ-OE1 3.26Å; R701-E745 IonicContact NE-OE1 2.91Å; R701-E745 PolarHBondContact NE-OE1 2.69Å; R701-E745 IonicContact NH2-OE1 3.06Å; R701-E745 PolarHBondContact NH2-OE1 3.4Å |
| 702 | N | 96.3 | Very high | 96 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.4 | -176 | 33.8 | 0 | 0 | 0 | 112.1 | A698 T699 L700 E704 L705 Q706 Y744 S790 Q792 | A698-N702 WeakPolarHBondContact O-CB 3.48Å; A698-N702 PolarHBondContact O-N 2.98Å; T699-N702 WeakPolarHBondContact O-CB 3.47Å; T699-N702 PolarHBondContact O-N 3Å; L700-N702 VanDerWaalsContact C-N 3.31Å; L700-N702 PolarHBondContact O-N 2.88Å; N702-E704 VanDerWaalsContact C-N 3.33Å; N702-E704 PolarHBondContact O-N 3.08Å; N702-L705 PolarHBondContact O-N 3.46Å; N702-Q706 WeakPolarHBondContact O-CG 3.42Å; N702-Q706 PolarHBondContact O-N 3.46Å; N702-Y744 WeakPolarHBondContact OD1-CE1 3.3Å; N702-Y744 PolarHBondContact OD1-OH 3.32Å; N702-S790 PolarHBondContact ND2-O 2.99Å; N702-Q792 HydrophobicContact CB-CG 3.64Å |
| 703 | V | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.4 | 175 | 0 | 0 | 0 | 0 | 111 | Y685 L688 Y689 T699 L700 L705 Q706 Q707 | Y685-V703 HydrophobicContact CD1-CG1 4.23Å; Y685-V703 WeakPolarHBondContact O-CG1 3.25Å; L688-V703 HydrophobicContact CD2-CG2 4.45Å; Y689-V703 HydrophobicContact CD2-CB 4.46Å; Y689-V703 HydrophobicContact CD2-CG1 4.36Å; T699-V703 PolarHBondContact O-N 3.4Å; L700-V703 PolarHBondContact O-N 3.16Å; L700-V703 VanDerWaalsContact O-N 3.17Å; V703-L705 PolarHBondContact O-N 2.65Å; V703-Q706 PolarHBondContact O-N 3.22Å; V703-Q707 PolarHBondContact O-N 2.91Å |
| 704 | E | 96.9 | Very high | 96 | Very high | 50 Ų | 50 | 23.5 Ų | 23.5 | 23% | 0.234 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 173.5 | -72.1 | 169.4 | -171.1 | 0 | 0 | 112.2 | Y689 L700 R701 N702 Q706 Q707 Q708 | Y689-E704 HydrophobicContact CD2-CG 3.93Å; Y689-E704 HydrophobicContact CE2-CG 3.54Å; Y689-E704 WeakPolarHBondContact CE2-OE1 3.17Å; Y689-E704 PolarHBondContact OH-OE1 3.38Å; L700-E704 WeakPolarHBondContact O-CG 3.32Å; L700-E704 PolarHBondContact O-N 3.15Å; R701-E704 VanDerWaalsContact CD-OE2 3.31Å; R701-E704 WeakPolarHBondContact CD-OE2 3.36Å; R701-E704 IonicContact CZ-OE2 3.66Å; R701-E704 IonicContact NH1-OE2 3.82Å; R701-E704 PolarHBondContact NH1-OE2 2.83Å; R701-E704 VanDerWaalsContact NH1-OE2 3.1Å; R701-E704 WeakPolarHBondContact O-CB 3.26Å; R701-E704 PolarHBondContact O-N 3.24Å; N702-E704 VanDerWaalsContact C-N 3.33Å; N702-E704 PolarHBondContact O-N 3.08Å; E704-Q706 VanDerWaalsContact C-N 3.32Å; E704-Q706 PolarHBondContact O-N 3.4Å; E704-Q707 WeakPolarHBondContact O-CB 3.46Å; E704-Q707 PolarHBondContact O-N 3.06Å; E704-Q708 WeakPolarHBondContact O-CB 3.2Å; E704-Q708 VanDerWaalsContact O-CG 3.29Å; E704-Q708 WeakPolarHBondContact O-CG 3.29Å; E704-Q708 PolarHBondContact O-N 3.18Å |
| 705 | L | 96.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 178 | -70.4 | 169 | 0 | 0 | 0 | 111.8 | R701 N702 V703 Q708 S709 Y744 E745 M748 M749 F752 | R701-L705 HydrophobicContact CG-CD1 4.41Å; R701-L705 VanDerWaalsContact O-CG 3.28Å; R701-L705 WeakPolarHBondContact O-CG 3.32Å; R701-L705 PolarHBondContact O-N 3.35Å; N702-L705 PolarHBondContact O-N 3.46Å; V703-L705 PolarHBondContact O-N 2.65Å; L705-Q708 PolarHBondContact O-N 3.22Å; L705-S709 PolarHBondContact O-N 3.05Å; L705-Y744 HydrophobicContact CD1-CD1 4.07Å; L705-Y744 HydrophobicContact CD1-CE1 3.82Å; L705-E745 HydrophobicContact CD1-CB 4.03Å; L705-E745 HydrophobicContact CD1-CG 4.14Å; L705-M748 HydrophobicContact CD1-CB 4.41Å; L705-M748 HydrophobicContact CD1-CG 4.41Å; L705-M748 HydrophobicContact CD2-CB 4.1Å; L705-M749 HydrophobicContact CD2-SD 4.23Å; L705-F752 HydrophobicContact CD2-CE2 3.96Å |
| 706 | Q | 97.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69 | -34.4 | 173.6 | -65.5 | -61.5 | -46.4 | 0 | 0 | 112.4 | Y685 N702 V703 E704 S709 C710 Y744 | Y685-Q706 HydrophobicContact CD1-CB 4.22Å; Y685-Q706 HydrophobicContact CE1-CB 3.83Å; Y685-Q706 HydrophobicContact CE2-CB 4.24Å; N702-Q706 WeakPolarHBondContact O-CG 3.42Å; N702-Q706 PolarHBondContact O-N 3.46Å; V703-Q706 PolarHBondContact O-N 3.22Å; E704-Q706 VanDerWaalsContact C-N 3.32Å; E704-Q706 PolarHBondContact O-N 3.4Å; Q706-S709 PolarHBondContact O-OG 3.24Å; Q706-C710 PolarHBondContact O-N 2.71Å; Q706-C710 PolarHBondContact O-SG 2.93Å; Q706-Y744 PolarHBondContact NE2-OH 3.21Å |
| 707 | Q | 97.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 24.4 Ų | 24.4 | 21% | 0.21 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 172.2 | -171.8 | -175.4 | 20.1 | 0 | 0 | 111.2 | A682 A686 V703 E704 S709 C710 L711 | A682-Q707 HydrophobicContact CB-CG 4.03Å; A682-Q707 WeakPolarHBondContact O-CG 3.4Å; A682-Q707 PolarHBondContact O-NE2 2.97Å; A686-Q707 VanDerWaalsContact CB-NE2 3.29Å; V703-Q707 PolarHBondContact O-N 2.91Å; E704-Q707 WeakPolarHBondContact O-CB 3.46Å; E704-Q707 PolarHBondContact O-N 3.06Å; Q707-S709 VanDerWaalsContact C-N 3.32Å; Q707-S709 PolarHBondContact O-N 3.47Å; Q707-C710 WeakPolarHBondContact O-CB 3.32Å; Q707-C710 PolarHBondContact O-N 3.4Å; Q707-L711 HydrophobicContact CG-CD1 4.3Å; Q707-L711 WeakPolarHBondContact O-CG 3.32Å; Q707-L711 PolarHBondContact O-N 3.29Å |
| 708 | Q | 96.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 23.7 Ų | 23.7 | 33% | 0.332 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.6 | -36.9 | 179.1 | -75.5 | 179.1 | -13.2 | 0 | 0 | 111.9 | E704 L705 L711 L712 F752 | E704-Q708 WeakPolarHBondContact O-CB 3.2Å; E704-Q708 VanDerWaalsContact O-CG 3.29Å; E704-Q708 WeakPolarHBondContact O-CG 3.29Å; E704-Q708 PolarHBondContact O-N 3.18Å; L705-Q708 PolarHBondContact O-N 3.22Å; Q708-L711 PolarHBondContact O-N 3.19Å; Q708-L712 VanDerWaalsContact O-CB 3.29Å; Q708-L712 WeakPolarHBondContact O-CB 3.42Å; Q708-L712 PolarHBondContact O-N 2.79Å; Q708-F752 HydrophobicContact CB-CE2 3.8Å; Q708-F752 HydrophobicContact CB-CZ 3.97Å |
| 709 | S | 96.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 174.7 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | L705 Q706 Q707 L712 V713 | L705-S709 PolarHBondContact O-N 3.05Å; Q706-S709 PolarHBondContact O-OG 3.24Å; Q707-S709 VanDerWaalsContact C-N 3.32Å; Q707-S709 PolarHBondContact O-N 3.47Å; S709-L712 PolarHBondContact O-N 3.16Å; S709-V713 WeakPolarHBondContact O-CG2 3.46Å; S709-V713 PolarHBondContact O-N 3.32Å |
| 710 | C | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 175 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | F678 A682 Q706 Q707 L712 V713 S714 | F678-C710 HydrophobicContact CD1-CB 4.33Å; A682-C710 HydrophobicContact CB-CB 4.12Å; Q706-C710 PolarHBondContact O-N 2.71Å; Q706-C710 PolarHBondContact O-SG 2.93Å; Q707-C710 WeakPolarHBondContact O-CB 3.32Å; Q707-C710 PolarHBondContact O-N 3.4Å; C710-L712 VanDerWaalsContact C-N 3.34Å; C710-L712 PolarHBondContact O-N 3.44Å; C710-V713 PolarHBondContact O-N 2.92Å; C710-S714 PolarHBondContact O-N 3.22Å |
| 711 | L | 96.6 | Very high | 93.5 | Very high | 80 Ų | 80 | 21.6 Ų | 21.6 | 42% | 0.419 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 177.3 | -70.4 | 173.9 | 0 | 0 | 0 | 112.2 | A682 Q707 Q708 S714 H715 | A682-L711 HydrophobicContact CB-CD1 4.49Å; A682-L711 HydrophobicContact CB-CD2 3.57Å; A682-L711 HydrophobicContact CB-CG 3.68Å; Q707-L711 HydrophobicContact CG-CD1 4.3Å; Q707-L711 WeakPolarHBondContact O-CG 3.32Å; Q707-L711 PolarHBondContact O-N 3.29Å; Q708-L711 PolarHBondContact O-N 3.19Å; L711-S714 PolarHBondContact O-N 3.44Å; L711-H715 WeakPolarHBondContact O-CB 3.44Å; L711-H715 PolarHBondContact O-N 3.49Å |
| 712 | L | 94.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 7% | 0.073 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.8 | -51.8 | 174.4 | 177.1 | 63.5 | 0 | 0 | 0 | 110.3 | Q708 S709 C710 S714 H715 V716 F752 V755 L756 | Q708-L712 VanDerWaalsContact O-CB 3.29Å; Q708-L712 WeakPolarHBondContact O-CB 3.42Å; Q708-L712 PolarHBondContact O-N 2.79Å; S709-L712 PolarHBondContact O-N 3.16Å; C710-L712 VanDerWaalsContact C-N 3.34Å; C710-L712 PolarHBondContact O-N 3.44Å; L712-S714 VanDerWaalsContact C-N 3.32Å; L712-S714 PolarHBondContact O-N 3.03Å; L712-H715 WeakPolarHBondContact O-CB 3.41Å; L712-H715 PolarHBondContact O-N 2.93Å; L712-V716 HydrophobicContact CD1-CG2 4.2Å; L712-V716 HydrophobicContact CG-CG2 4.45Å; L712-V716 WeakPolarHBondContact O-CG2 3.46Å; L712-V716 PolarHBondContact O-N 3.25Å; L712-F752 HydrophobicContact CD2-CB 4.23Å; L712-F752 HydrophobicContact CD2-CD1 3.51Å; L712-F752 HydrophobicContact CD2-CE1 4.24Å; L712-F752 HydrophobicContact CD2-CG 4.17Å; L712-V755 HydrophobicContact CD1-CG1 4.14Å; L712-V755 HydrophobicContact CD2-CB 4.12Å; L712-V755 HydrophobicContact CD2-CG1 4.05Å; L712-V755 HydrophobicContact CG-CG1 4.18Å; L712-L756 HydrophobicContact CD1-CD2 3.66Å; L712-L756 HydrophobicContact CD1-CG 3.88Å |
| 713 | V | 95.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 178.3 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | L631 L634 F678 S709 C710 H715 V716 I717 L784 | L631-V713 HydrophobicContact CD2-CG2 4.37Å; L634-V713 HydrophobicContact CD2-CG1 3.51Å; F678-V713 HydrophobicContact CD1-CB 4.48Å; F678-V713 HydrophobicContact CD1-CG1 4.43Å; F678-V713 HydrophobicContact CD2-CB 4.32Å; F678-V713 HydrophobicContact CD2-CG1 3.59Å; F678-V713 HydrophobicContact CE1-CG1 4.29Å; F678-V713 HydrophobicContact CE2-CB 4.43Å; F678-V713 HydrophobicContact CE2-CG1 3.44Å; F678-V713 VanDerWaalsContact CE2-CG1 3.44Å; F678-V713 HydrophobicContact CG-CB 4.37Å; F678-V713 HydrophobicContact CG-CG1 4.12Å; F678-V713 HydrophobicContact CZ-CG1 3.81Å; S709-V713 WeakPolarHBondContact O-CG2 3.46Å; S709-V713 PolarHBondContact O-N 3.32Å; C710-V713 PolarHBondContact O-N 2.92Å; V713-H715 VanDerWaalsContact C-N 3.31Å; V713-H715 PolarHBondContact O-N 2.89Å; V713-V716 PolarHBondContact O-N 3.1Å; V713-I717 HydrophobicContact CG1-CD1 4.12Å; V713-I717 WeakPolarHBondContact O-CG1 3.47Å; V713-I717 PolarHBondContact O-N 2.96Å; V713-I717 VanDerWaalsContact O-N 3.09Å; V713-L784 HydrophobicContact CG2-CD1 3.7Å |
| 714 | S | 95 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | M675 R679 C710 L711 L712 I717 E718 | M675-S714 VanDerWaalsContact CG-OG 3.27Å; M675-S714 WeakPolarHBondContact CG-OG 3.46Å; R679-S714 WeakPolarHBondContact CG-OG 3.37Å; R679-S714 PolarHBondContact NE-OG 2.71Å; C710-S714 PolarHBondContact O-N 3.22Å; L711-S714 PolarHBondContact O-N 3.44Å; L712-S714 VanDerWaalsContact C-N 3.32Å; L712-S714 PolarHBondContact O-N 3.03Å; S714-I717 PolarHBondContact O-N 3.46Å; S714-E718 PolarHBondContact O-N 3.48Å; S714-E718 VanDerWaalsContact O-N 3.07Å |
| 715 | H | 90.7 | Very high | 89 | Confident | 40 Ų | 40 | 29.5 Ų | 29.5 | 19% | 0.185 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | -179.7 | 177.7 | 69.4 | 0 | 0 | 0 | 111.7 | L711 L712 V713 I717 E718 A719 F729 | L711-H715 WeakPolarHBondContact O-CB 3.44Å; L711-H715 PolarHBondContact O-N 3.49Å; L712-H715 WeakPolarHBondContact O-CB 3.41Å; L712-H715 PolarHBondContact O-N 2.93Å; V713-H715 VanDerWaalsContact C-N 3.31Å; V713-H715 PolarHBondContact O-N 2.89Å; H715-I717 VanDerWaalsContact C-N 3.32Å; H715-I717 PolarHBondContact O-N 3.31Å; H715-E718 PolarHBondContact O-N 3.2Å; H715-A719 VanDerWaalsContact O-CB 3.28Å; H715-A719 WeakPolarHBondContact O-CB 3.39Å; H715-A719 PolarHBondContact O-N 3.06Å; H715-F729 AromaticContact NE2-CE1 3.93Å; H715-F729 AromaticContact NE2-CZ 3.95Å |
| 716 | V | 91 | Very high | 87.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.6 | 178 | 0 | 0 | 0 | 0 | 111.3 | L712 V713 L720 V755 V759 L777 | L712-V716 HydrophobicContact CD1-CG2 4.2Å; L712-V716 HydrophobicContact CG-CG2 4.45Å; L712-V716 WeakPolarHBondContact O-CG2 3.46Å; L712-V716 PolarHBondContact O-N 3.25Å; V713-V716 PolarHBondContact O-N 3.1Å; V716-L720 HydrophobicContact CG1-CD1 3.7Å; V716-L720 HydrophobicContact CG1-CG 4.23Å; V716-L720 WeakPolarHBondContact O-CB 3.3Å; V716-L720 PolarHBondContact O-N 2.9Å; V716-V755 HydrophobicContact CG2-CG1 3.81Å; V716-V759 HydrophobicContact CB-CG2 4.28Å; V716-V759 HydrophobicContact CG1-CG2 3.73Å; V716-V759 HydrophobicContact CG2-CG2 3.64Å; V716-L777 HydrophobicContact CB-CD2 4.05Å; V716-L777 HydrophobicContact CG1-CD2 3.49Å; V716-L777 VanDerWaalsContact CG1-CD2 3.49Å; V716-L777 HydrophobicContact CG1-CG 4.07Å |
| 717 | I | 90.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 174.9 | -65.2 | 166 | 0 | 0 | 0 | 110.5 | L634 M671 M675 F678 V713 S714 H715 I721 L722 L777 | L634-I717 HydrophobicContact CD1-CD1 3.91Å; L634-I717 HydrophobicContact CD1-CG1 4.33Å; L634-I717 HydrophobicContact CD2-CD1 4.43Å; M671-I717 HydrophobicContact CB-CG2 3.89Å; M671-I717 WeakPolarHBondContact O-CG2 3.36Å; M671-I717 HydrophobicContact SD-CG2 4.45Å; M675-I717 HydrophobicContact CB-CB 4.39Å; M675-I717 HydrophobicContact CB-CD1 4.43Å; M675-I717 HydrophobicContact CB-CG2 4.01Å; F678-I717 HydrophobicContact CD2-CD1 4.24Å; V713-I717 HydrophobicContact CG1-CD1 4.12Å; V713-I717 WeakPolarHBondContact O-CG1 3.47Å; V713-I717 PolarHBondContact O-N 2.96Å; V713-I717 VanDerWaalsContact O-N 3.09Å; S714-I717 PolarHBondContact O-N 3.46Å; H715-I717 VanDerWaalsContact C-N 3.32Å; H715-I717 PolarHBondContact O-N 3.31Å; I717-I721 VanDerWaalsContact O-CB 3.29Å; I717-I721 WeakPolarHBondContact O-CB 3.5Å; I717-I721 PolarHBondContact O-N 2.69Å; I717-I721 VanDerWaalsContact O-N 3.08Å; I717-L722 HydrophobicContact CG2-CD1 4.1Å; I717-L722 HydrophobicContact CG2-CG 4.39Å; I717-L722 PolarHBondContact O-N 3.48Å; I717-L777 HydrophobicContact CG1-CD1 4.48Å; I717-L777 HydrophobicContact CG1-CD2 3.8Å |
| 718 | E | 88.8 | Confident | 83.8 | Confident | 62 Ų | 62 | 34.7 Ų | 34.7 | 29% | 0.29 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -62.2 | -50.8 | 179.5 | -172.4 | 164.9 | -136.9 | 0 | 0 | 111.7 | M675 R679 S714 H715 L722 D723 | M675-E718 HydrophobicContact SD-CB 4.02Å; M675-E718 HydrophobicContact SD-CG 4.39Å; R679-E718 IonicContact CZ-OE1 2.63Å; R679-E718 IonicContact NH2-OE1 2.99Å; R679-E718 PolarHBondContact NH2-OE1 2.87Å; R679-E718 IonicContact NH2-OE2 2.87Å; R679-E718 PolarHBondContact NH2-OE2 3.19Å; S714-E718 PolarHBondContact O-N 3.48Å; S714-E718 VanDerWaalsContact O-N 3.07Å; H715-E718 PolarHBondContact O-N 3.2Å; E718-L722 PolarHBondContact O-N 3.44Å; E718-D723 PolarHBondContact O-N 2.49Å |
| 719 | A | 85.5 | Confident | 82 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -70.6 | -34.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | H715 P724 A727 F729 V759 | H715-A719 VanDerWaalsContact O-CB 3.28Å; H715-A719 WeakPolarHBondContact O-CB 3.39Å; H715-A719 PolarHBondContact O-N 3.06Å; A719-P724 VanDerWaalsContact O-CA 3.29Å; A719-P724 WeakPolarHBondContact O-CA 3.37Å; A719-P724 WeakPolarHBondContact O-CB 2.97Å; A719-A727 HydrophobicContact CB-CB 3.89Å; A719-F729 HydrophobicContact CB-CZ 4.42Å; A719-V759 HydrophobicContact CB-CG1 4.33Å |
| 720 | L | 84.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -94.2 | -28 | -178.1 | -64.2 | -176.4 | 0 | 0 | 0 | 114 | V716 V759 L762 H773 C776 | V716-L720 HydrophobicContact CG1-CD1 3.7Å; V716-L720 HydrophobicContact CG1-CG 4.23Å; V716-L720 WeakPolarHBondContact O-CB 3.3Å; V716-L720 PolarHBondContact O-N 2.9Å; L720-V759 HydrophobicContact CD1-CG1 4.26Å; L720-V759 HydrophobicContact CD1-CG2 4.25Å; L720-V759 HydrophobicContact CD2-CG1 3.76Å; L720-V759 HydrophobicContact CG-CG1 3.85Å; L720-L762 HydrophobicContact CD2-CB 4.17Å; L720-H773 HydrophobicContact CB-CB 4.42Å; L720-C776 HydrophobicContact CD1-CB 4.45Å |
| 721 | I | 81.3 | Confident | 77.1 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -116.1 | -48.8 | -168.5 | -61.5 | -175.2 | 0 | 0 | 0 | 112 | M671 I717 V769 L777 | M671-I721 HydrophobicContact CB-CD1 4.45Å; M671-I721 HydrophobicContact CB-CG2 3.98Å; M671-I721 HydrophobicContact CE-CD1 3.76Å; M671-I721 HydrophobicContact CG-CD1 3.72Å; M671-I721 HydrophobicContact CG-CG2 4.02Å; M671-I721 HydrophobicContact SD-CD1 3.66Å; I717-I721 VanDerWaalsContact O-CB 3.29Å; I717-I721 WeakPolarHBondContact O-CB 3.5Å; I717-I721 PolarHBondContact O-N 2.69Å; I717-I721 VanDerWaalsContact O-N 3.08Å; I721-V769 HydrophobicContact CB-CG2 4.39Å; I721-V769 HydrophobicContact CG2-CG2 3.72Å; I721-L777 HydrophobicContact CD1-CD1 3.55Å; I721-L777 HydrophobicContact CG1-CD1 4.5Å |
| 722 | L | 79.1 | Confident | 75 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -95.6 | -42.4 | -165.3 | -59.7 | 176.7 | 0 | 0 | 0 | 113.7 | L661 A668 R672 M675 I717 E718 | L661-L722 HydrophobicContact CD2-CD2 4.14Å; A668-L722 WeakPolarHBondContact O-CD2 3.41Å; R672-L722 HydrophobicContact CB-CD1 4.21Å; R672-L722 HydrophobicContact CB-CD2 4.49Å; M675-L722 HydrophobicContact CE-CD1 4.09Å; M675-L722 HydrophobicContact SD-CD1 3.67Å; I717-L722 HydrophobicContact CG2-CD1 4.1Å; I717-L722 HydrophobicContact CG2-CG 4.39Å; I717-L722 PolarHBondContact O-N 3.48Å; E718-L722 PolarHBondContact O-N 3.44Å |
| 723 | D | 75.7 | Confident | 72.4 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | trans | -148.1 | 70.4 | -177.3 | -161.4 | -10.3 | 0 | 0 | 0 | 113.2 | E718 H725 S726 A727 | E718-D723 PolarHBondContact O-N 2.49Å; D723-H725 PolarHBondContact O-N 2.84Å; D723-S726 PolarHBondContact OD1-N 3.33Å; D723-S726 PolarHBondContact OD1-OG 2.86Å; D723-S726 VanDerWaalsContact OD1-OG 3.13Å; D723-S726 VanDerWaalsContact OD2-CB 3.31Å; D723-S726 WeakPolarHBondContact OD2-CB 3.26Å; D723-S726 PolarHBondContact OD2-OG 3.31Å; D723-A727 WeakPolarHBondContact O-CB 3.25Å; D723-A727 PolarHBondContact O-N 3Å | ||
| 724 | P | 71.6 | Confident | 69.8 | Low | 22 Ų | 22 | 58.5 Ų | 58.5 | 14% | 0.143 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.6 | -179.2 | 28.2 | -35.2 | 0 | 0 | 0 | 114.2 | A719 P768 | A719-P724 VanDerWaalsContact O-CA 3.29Å; A719-P724 WeakPolarHBondContact O-CA 3.37Å; A719-P724 WeakPolarHBondContact O-CB 2.97Å; P724-P768 HydrophobicContact CG-CG 4.45Å |
| 725 | H | 66.5 | Low | 67.5 | Low | 159 Ų | 159 | 63.3 Ų | 63.3 | 74% | 0.736 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -33.3 | -177.1 | -67.3 | -57.3 | 0 | 0 | 0 | 112.7 | D723 | D723-H725 PolarHBondContact O-N 2.84Š|
| 726 | S | 65.5 | Low | 65 | Low | 75 Ų | 75 | 64.4 Ų | 64.4 | 52% | 0.524 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -23.8 | 178.5 | 76.4 | 0 | 0 | 0 | 0 | 113.8 | D723 S728 | D723-S726 PolarHBondContact OD1-N 3.33Å; D723-S726 PolarHBondContact OD1-OG 2.86Å; D723-S726 VanDerWaalsContact OD1-OG 3.13Å; D723-S726 VanDerWaalsContact OD2-CB 3.31Å; D723-S726 WeakPolarHBondContact OD2-CB 3.26Å; D723-S726 PolarHBondContact OD2-OG 3.31Å; S726-S728 PolarHBondContact O-N 2.98Å |
| 727 | A | 60.7 | Low | 62.8 | Low | 14 Ų | 14 | 69.5 Ų | 69.5 | 12% | 0.116 | 40% | 0.404 | C | S | . | . | trans | -69.9 | 88.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A719 D723 | A719-A727 HydrophobicContact CB-CB 3.89Å; D723-A727 WeakPolarHBondContact O-CB 3.25Å; D723-A727 PolarHBondContact O-N 3Å | ||
| 728 | S | 55.4 | Low | 60.8 | Low | 73 Ų | 73 | 73 Ų | 73 | 51% | 0.51 | 43% | 0.425 | S | S | . | . | trans | -88.5 | 125.4 | 173.1 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | S726 Q730 | S726-S728 PolarHBondContact O-N 2.98Å; S728-Q730 PolarHBondContact O-N 3.17Å; S728-Q730 VanDerWaalsContact O-N 3.07Å | ||
| 729 | F | 58.2 | Low | 59.6 | Low | 38 Ų | 38 | 76.9 Ų | 76.9 | 17% | 0.167 | 44% | 0.444 | C | S | . | . | trans | -71.7 | 10.5 | 174.9 | -76.7 | -92.2 | 0 | 0 | 0 | 114.5 | H715 A719 D731 Y732 L756 V759 E760 | H715-F729 AromaticContact NE2-CE1 3.93Å; H715-F729 AromaticContact NE2-CZ 3.95Å; A719-F729 HydrophobicContact CB-CZ 4.42Å; F729-D731 VanDerWaalsContact C-N 3.28Å; F729-D731 PolarHBondContact O-N 3.5Å; F729-D731 VanDerWaalsContact O-N 3.16Å; F729-Y732 HydrophobicContact CD1-CD2 4.15Å; F729-Y732 AromaticContact CD1-CE2 3.92Å; F729-Y732 HydrophobicContact CD1-CE2 3.92Å; F729-Y732 HydrophobicContact CE1-CE2 4.44Å; F729-L756 HydrophobicContact CE1-CD2 4.41Å; F729-V759 HydrophobicContact CE1-CG1 4.35Å; F729-V759 HydrophobicContact CZ-CB 4.34Å; F729-V759 HydrophobicContact CZ-CG1 3.62Å; F729-E760 HydrophobicContact CD1-CB 4.39Å; F729-E760 HydrophobicContact CE1-CB 4.37Å | ||
| 730 | Q | 48.1 | Very low | 58.8 | Low | 173 Ų | 173 | 78.9 Ų | 78.9 | 81% | 0.808 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -6.1 | -163.4 | -73.8 | -171.2 | -19 | 0 | 0 | 116 | S728 | S728-Q730 PolarHBondContact O-N 3.17Å; S728-Q730 VanDerWaalsContact O-N 3.07Å |
| 731 | D | 45 | Very low | 58.4 | Low | 159 Ų | 159 | 84.4 Ų | 84.4 | 85% | 0.85 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 4.7 | -177.9 | -80.4 | -23.7 | 0 | 0 | 0 | 115.1 | F729 G733 | F729-D731 VanDerWaalsContact C-N 3.28Å; F729-D731 PolarHBondContact O-N 3.5Å; F729-D731 VanDerWaalsContact O-N 3.16Å; D731-G733 PolarHBondContact O-N 3.18Å |
| 732 | Y | 51 | Low | 58.5 | Low | 118 Ų | 118 | 86 Ų | 86 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | trans | -78.5 | 59.1 | 168.1 | -62.9 | -78.9 | 0 | 0 | 0 | 110.3 | F729 T734 L756 | F729-Y732 HydrophobicContact CD1-CD2 4.15Å; F729-Y732 AromaticContact CD1-CE2 3.92Å; F729-Y732 HydrophobicContact CD1-CE2 3.92Å; F729-Y732 HydrophobicContact CE1-CE2 4.44Å; Y732-T734 PolarHBondContact O-N 2.85Å; Y732-L756 HydrophobicContact CD1-CD1 4.2Å; Y732-L756 HydrophobicContact CE1-CD1 3.7Å; Y732-L756 HydrophobicContact CE1-CD2 4.42Å; Y732-L756 HydrophobicContact CE2-CD2 4.31Å | ||
| 733 | G | 41.4 | Very low | 58.7 | Low | 54 Ų | 54 | 86.1 Ų | 86.1 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | trans | -50.9 | 136 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | D731 L735 | D731-G733 PolarHBondContact O-N 3.18Å; G733-L735 PolarHBondContact O-N 3.24Å | ||
| 734 | T | 41.2 | Very low | 59.3 | Low | 141 Ų | 141 | 84.1 Ų | 84.1 | 87% | 0.865 | 48% | 0.48 | S | S | * | . | trans | -36.1 | 106.4 | 175.1 | -8.5 | 0 | 0 | 0 | 0 | 107.6 | Y732 G736 | Y732-T734 PolarHBondContact O-N 2.85Å; T734-G736 VanDerWaalsContact C-N 3.25Å; T734-G736 WeakPolarHBondContact O-CA 3.06Å; T734-G736 PolarHBondContact O-N 2.97Å | ||
| 735 | L | 46.3 | Very low | 60.2 | Low | 105 Ų | 105 | 83.4 Ų | 83.4 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | trans | -53.5 | 103.5 | 175 | -112 | 93.4 | 0 | 0 | 0 | 103.9 | G733 S737 V738 M749 | G733-L735 PolarHBondContact O-N 3.24Å; L735-S737 PolarHBondContact O-N 3.31Å; L735-V738 HydrophobicContact CD2-CG2 4.04Å; L735-M749 HydrophobicContact CD2-CE 4.1Å | ||
| 736 | G | 37.7 | Very low | 61.3 | Low | 63 Ų | 63 | 78.9 Ų | 78.9 | 65% | 0.649 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 111.4 | -163.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | T734 V738 | T734-G736 VanDerWaalsContact C-N 3.25Å; T734-G736 WeakPolarHBondContact O-CA 3.06Å; T734-G736 PolarHBondContact O-N 2.97Å; G736-V738 PolarHBondContact O-N 2.93Å |
| 737 | S | 44.7 | Very low | 62.4 | Low | 108 Ų | 108 | 79 Ų | 79 | 76% | 0.755 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 5.2 | 74.1 | -178.1 | 179.6 | 0 | 0 | 0 | 0 | 112.5 | L735 Q739 | L735-S737 PolarHBondContact O-N 3.31Å; S737-Q739 PolarHBondContact O-N 2.94Å |
| 738 | V | 50.2 | Low | 64 | Low | 73 Ų | 73 | 78.6 Ų | 78.6 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | trans | -65.1 | 111.3 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 103.6 | L735 G736 T740 | L735-V738 HydrophobicContact CD2-CG2 4.04Å; G736-V738 PolarHBondContact O-N 2.93Å; V738-T740 VanDerWaalsContact C-N 3.25Å; V738-T740 PolarHBondContact O-N 3.19Å | ||
| 739 | Q | 61.9 | Low | 65.7 | Low | 144 Ų | 144 | 76.6 Ų | 76.6 | 67% | 0.673 | 42% | 0.419 | S | S | * | . | trans | -62.7 | 94.4 | 178 | -75.1 | -172.7 | -9.1 | 0 | 0 | 107.5 | S737 E741 | S737-Q739 PolarHBondContact O-N 2.94Å; Q739-E741 PolarHBondContact O-N 3.32Å | ||
| 740 | T | 69.1 | Low | 67.3 | Low | 42 Ų | 42 | 78.4 Ų | 78.4 | 26% | 0.258 | 44% | 0.437 | S | S | . | . | trans | -64.1 | 126.1 | 178 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | V738 E745 R746 | V738-T740 VanDerWaalsContact C-N 3.25Å; V738-T740 PolarHBondContact O-N 3.19Å; T740-E745 WeakPolarHBondContact CA-OE2 3.02Å; T740-E745 HydrophobicContact CG2-CG 3.9Å; T740-R746 VanDerWaalsContact CB-CG 3.44Å; T740-R746 HydrophobicContact CG2-CG 3.79Å; T740-R746 VanDerWaalsContact OG1-CD 3.25Å; T740-R746 WeakPolarHBondContact OG1-CD 3.34Å; T740-R746 WeakPolarHBondContact OG1-CG 3.47Å | ||
| 741 | E | 76.2 | Confident | 69.5 | Low | 121 Ų | 121 | 71.1 Ų | 71.1 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | trans | -93.2 | -10.8 | -173.8 | -62.1 | -160.8 | 141.6 | 0 | 0 | 112.8 | T458 Q739 E745 | T458-E741 WeakPolarHBondContact CG2-O 3.36Å; Q739-E741 PolarHBondContact O-N 3.32Å; E741-E745 PolarHBondContact N-OE2 2.88Å | ||
| 742 | S | 83.8 | Confident | 71.8 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -139.6 | 160.5 | -179.8 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | E745 R746 | S742-E745 PolarHBondContact O-N 3.01Å; S742-E745 WeakPolarHBondContact OG-CB 3.45Å; S742-E745 PolarHBondContact OG-N 2.85Å; S742-E745 VanDerWaalsContact OG-N 3.17Å; S742-R746 PolarHBondContact O-N 3.11Å |
| 743 | E | 83.4 | Confident | 73.7 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 175.1 | -161.5 | -147.4 | 160.5 | 0 | 0 | 113.1 | P461 Q502 E745 R746 R747 | P461-E743 HydrophobicContact CG-CG 4.42Å; Q502-E743 PolarHBondContact NE2-OE2 3.14Å; Q502-E743 PolarHBondContact OE1-OE1 3.05Å; Q502-E743 PolarHBondContact OE1-OE2 3.4Å; E743-E745 VanDerWaalsContact C-N 3.29Å; E743-E745 PolarHBondContact O-N 3.22Å; E743-R746 VanDerWaalsContact CA-CZ 3.48Å; E743-R746 VanDerWaalsContact CA-NH2 3.34Å; E743-R746 VanDerWaalsContact CG-NH1 3.34Å; E743-R746 PolarHBondContact O-N 3.31Å; E743-R746 VanDerWaalsContact O-N 3.13Å; E743-R747 PolarHBondContact O-N 3.31Å; E743-R747 IonicContact OE1-CZ 2.79Å; E743-R747 IonicContact OE1-NE 2.74Å; E743-R747 PolarHBondContact OE1-NE 3.42Å; E743-R747 IonicContact OE1-NH2 4Å; E743-R747 PolarHBondContact OE1-NH2 3.4Å |
| 744 | Y | 88.6 | Confident | 76.1 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 9% | 0.09 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.5 | -47.2 | 174.3 | 174.8 | -102.6 | 0 | 0 | 0 | 111.4 | N702 L705 Q706 R747 M748 V787 P788 | N702-Y744 WeakPolarHBondContact OD1-CE1 3.3Å; N702-Y744 PolarHBondContact OD1-OH 3.32Å; L705-Y744 HydrophobicContact CD1-CD1 4.07Å; L705-Y744 HydrophobicContact CD1-CE1 3.82Å; Q706-Y744 PolarHBondContact NE2-OH 3.21Å; Y744-R747 PolarHBondContact O-N 3Å; Y744-M748 HydrophobicContact CD1-CG 4.5Å; Y744-M748 HydrophobicContact CE1-CG 4.02Å; Y744-M748 HydrophobicContact CE2-CG 4.04Å; Y744-M748 HydrophobicContact CE2-SD 4.28Å; Y744-M748 WeakPolarHBondContact O-CG 3.25Å; Y744-M748 PolarHBondContact O-N 2.81Å; Y744-V787 HydrophobicContact CD2-CG1 3.85Å; Y744-V787 HydrophobicContact CE2-CG1 3.71Å; Y744-P788 WeakPolarHBondContact CD2-O 3.44Å; Y744-P788 VanDerWaalsContact CE2-O 3.22Å; Y744-P788 WeakPolarHBondContact CE2-O 3.38Å |
| 745 | E | 90.4 | Very high | 78.5 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.4 | 179.1 | 177.8 | -160.8 | 0 | 0 | 112.3 | R701 L705 T740 E741 S742 E743 R747 M748 M749 | R701-E745 IonicContact CZ-OE1 3.89Å; R701-E745 VanDerWaalsContact CZ-OE1 3.26Å; R701-E745 IonicContact NE-OE1 2.91Å; R701-E745 PolarHBondContact NE-OE1 2.69Å; R701-E745 IonicContact NH2-OE1 3.06Å; R701-E745 PolarHBondContact NH2-OE1 3.4Å; L705-E745 HydrophobicContact CD1-CB 4.03Å; L705-E745 HydrophobicContact CD1-CG 4.14Å; T740-E745 WeakPolarHBondContact CA-OE2 3.02Å; T740-E745 HydrophobicContact CG2-CG 3.9Å; E741-E745 PolarHBondContact N-OE2 2.88Å; S742-E745 PolarHBondContact O-N 3.01Å; S742-E745 WeakPolarHBondContact OG-CB 3.45Å; S742-E745 PolarHBondContact OG-N 2.85Å; S742-E745 VanDerWaalsContact OG-N 3.17Å; E743-E745 VanDerWaalsContact C-N 3.29Å; E743-E745 PolarHBondContact O-N 3.22Å; E745-R747 VanDerWaalsContact C-N 3.32Å; E745-R747 PolarHBondContact O-N 3.33Å; E745-M748 PolarHBondContact O-N 3.33Å; E745-M749 HydrophobicContact CG-CG 4.31Å; E745-M749 WeakPolarHBondContact O-CB 3.5Å; E745-M749 WeakPolarHBondContact O-CG 3.37Å; E745-M749 PolarHBondContact O-N 2.57Å |
| 746 | R | 88.3 | Confident | 80.6 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 176.9 | -77.8 | -175.1 | -88.2 | 94.4 | -0.9 | 112.2 | T458 T740 S742 E743 S750 | T458-R746 PolarHBondContact O-NH2 3.04Å; T740-R746 VanDerWaalsContact CB-CG 3.44Å; T740-R746 HydrophobicContact CG2-CG 3.79Å; T740-R746 VanDerWaalsContact OG1-CD 3.25Å; T740-R746 WeakPolarHBondContact OG1-CD 3.34Å; T740-R746 WeakPolarHBondContact OG1-CG 3.47Å; S742-R746 PolarHBondContact O-N 3.11Å; E743-R746 VanDerWaalsContact CA-CZ 3.48Å; E743-R746 VanDerWaalsContact CA-NH2 3.34Å; E743-R746 VanDerWaalsContact CG-NH1 3.34Å; E743-R746 PolarHBondContact O-N 3.31Å; E743-R746 VanDerWaalsContact O-N 3.13Å; R746-S750 WeakPolarHBondContact O-CB 3.38Å; R746-S750 PolarHBondContact O-N 3.07Å |
| 747 | R | 89.8 | Confident | 83 | Confident | 79 Ų | 79 | 57 Ų | 57 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -47.8 | 177.4 | -71.4 | -175.2 | -179.1 | -164 | -0.4 | 111.8 | Q502 E743 Y744 E745 M749 S750 V751 V787 | Q502-R747 VanDerWaalsContact O-CZ 3.29Å; Q502-R747 PolarHBondContact O-NH1 3.13Å; Q502-R747 PolarHBondContact O-NH2 3.02Å; E743-R747 PolarHBondContact O-N 3.31Å; E743-R747 IonicContact OE1-CZ 2.79Å; E743-R747 IonicContact OE1-NE 2.74Å; E743-R747 PolarHBondContact OE1-NE 3.42Å; E743-R747 IonicContact OE1-NH2 4Å; E743-R747 PolarHBondContact OE1-NH2 3.4Å; Y744-R747 PolarHBondContact O-N 3Å; E745-R747 VanDerWaalsContact C-N 3.32Å; E745-R747 PolarHBondContact O-N 3.33Å; R747-M749 PolarHBondContact O-N 2.66Å; R747-S750 PolarHBondContact O-N 3.44Å; R747-V751 WeakPolarHBondContact O-CG2 3.47Å; R747-V751 PolarHBondContact O-N 3.42Å; R747-V787 HydrophobicContact CB-CG1 3.98Å; R747-V787 HydrophobicContact CB-CG2 4.29Å |
| 748 | M | 92.8 | Very high | 85.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 177.1 | -70.5 | -63.8 | -66.4 | 0 | 0 | 111.5 | L705 Y744 E745 S750 V751 F752 L784 V787 | L705-M748 HydrophobicContact CD1-CB 4.41Å; L705-M748 HydrophobicContact CD1-CG 4.41Å; L705-M748 HydrophobicContact CD2-CB 4.1Å; Y744-M748 HydrophobicContact CD1-CG 4.5Å; Y744-M748 HydrophobicContact CE1-CG 4.02Å; Y744-M748 HydrophobicContact CE2-CG 4.04Å; Y744-M748 HydrophobicContact CE2-SD 4.28Å; Y744-M748 WeakPolarHBondContact O-CG 3.25Å; Y744-M748 PolarHBondContact O-N 2.81Å; E745-M748 PolarHBondContact O-N 3.33Å; M748-S750 VanDerWaalsContact C-N 3.34Å; M748-S750 PolarHBondContact O-N 3.5Å; M748-V751 PolarHBondContact O-N 3.13Å; M748-F752 HydrophobicContact CB-CE2 4.43Å; M748-F752 HydrophobicContact CB-CZ 4.31Å; M748-F752 HydrophobicContact CE-CE1 3.75Å; M748-F752 HydrophobicContact CE-CZ 3.6Å; M748-F752 VanDerWaalsContact O-CD1 3.32Å; M748-F752 WeakPolarHBondContact O-CD1 3.48Å; M748-F752 WeakPolarHBondContact O-CG 3.18Å; M748-F752 PolarHBondContact O-N 2.84Å; M748-L784 HydrophobicContact CE-CD2 4.39Å; M748-V787 HydrophobicContact CG-CG1 4.11Å; M748-V787 HydrophobicContact SD-CB 3.87Å; M748-V787 HydrophobicContact SD-CG1 3.77Å; M748-V787 HydrophobicContact SD-CG2 4.1Å |
| 749 | M | 91.7 | Very high | 86.8 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 177.9 | -68.9 | -56.5 | -56.2 | 0 | 0 | 112.5 | L705 L735 E745 R747 F752 N753 | L705-M749 HydrophobicContact CD2-SD 4.23Å; L735-M749 HydrophobicContact CD2-CE 4.1Å; E745-M749 HydrophobicContact CG-CG 4.31Å; E745-M749 WeakPolarHBondContact O-CB 3.5Å; E745-M749 WeakPolarHBondContact O-CG 3.37Å; E745-M749 PolarHBondContact O-N 2.57Å; R747-M749 PolarHBondContact O-N 2.66Å; M749-F752 PolarHBondContact O-N 3.29Å; M749-F752 HydrophobicContact SD-CD2 3.8Å; M749-F752 HydrophobicContact SD-CE2 4.21Å; M749-N753 VanDerWaalsContact O-CG 3.27Å; M749-N753 PolarHBondContact O-N 3.33Å; M749-N753 PolarHBondContact O-ND2 3.19Å |
| 750 | S | 91.6 | Very high | 87.9 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 53% | 0.531 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.4 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | R746 R747 M748 H754 | R746-S750 WeakPolarHBondContact O-CB 3.38Å; R746-S750 PolarHBondContact O-N 3.07Å; R747-S750 PolarHBondContact O-N 3.44Å; M748-S750 VanDerWaalsContact C-N 3.34Å; M748-S750 PolarHBondContact O-N 3.5Å; S750-H754 VanDerWaalsContact O-CB 3.31Å; S750-H754 WeakPolarHBondContact O-CB 3.45Å; S750-H754 PolarHBondContact O-N 3.36Å |
| 751 | V | 93.8 | Very high | 88.5 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.8 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | R747 M748 N753 H754 V755 A783 L784 V787 | R747-V751 WeakPolarHBondContact O-CG2 3.47Å; R747-V751 PolarHBondContact O-N 3.42Å; M748-V751 PolarHBondContact O-N 3.13Å; V751-N753 PolarHBondContact O-N 2.88Å; V751-H754 PolarHBondContact O-N 3.44Å; V751-V755 HydrophobicContact CG1-CG2 4.26Å; V751-V755 WeakPolarHBondContact O-CB 3.49Å; V751-V755 VanDerWaalsContact O-CG2 3.3Å; V751-V755 WeakPolarHBondContact O-CG2 3.35Å; V751-V755 PolarHBondContact O-N 3.37Å; V751-A783 HydrophobicContact CG1-CB 3.83Å; V751-L784 HydrophobicContact CG1-CD2 3.78Å; V751-L784 HydrophobicContact CG1-CG 4.14Å; V751-V787 HydrophobicContact CG2-CG2 3.88Å |
| 752 | F | 93.8 | Very high | 88.9 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 177.7 | -61.6 | -17.2 | 0 | 0 | 0 | 112.1 | L705 Q708 L712 M748 M749 V755 L756 L784 | L705-F752 HydrophobicContact CD2-CE2 3.96Å; Q708-F752 HydrophobicContact CB-CE2 3.8Å; Q708-F752 HydrophobicContact CB-CZ 3.97Å; L712-F752 HydrophobicContact CD2-CB 4.23Å; L712-F752 HydrophobicContact CD2-CD1 3.51Å; L712-F752 HydrophobicContact CD2-CE1 4.24Å; L712-F752 HydrophobicContact CD2-CG 4.17Å; M748-F752 HydrophobicContact CB-CE2 4.43Å; M748-F752 HydrophobicContact CB-CZ 4.31Å; M748-F752 HydrophobicContact CE-CE1 3.75Å; M748-F752 HydrophobicContact CE-CZ 3.6Å; M748-F752 VanDerWaalsContact O-CD1 3.32Å; M748-F752 WeakPolarHBondContact O-CD1 3.48Å; M748-F752 WeakPolarHBondContact O-CG 3.18Å; M748-F752 PolarHBondContact O-N 2.84Å; M749-F752 PolarHBondContact O-N 3.29Å; M749-F752 HydrophobicContact SD-CD2 3.8Å; M749-F752 HydrophobicContact SD-CE2 4.21Å; F752-V755 PolarHBondContact O-N 3.36Å; F752-L756 WeakPolarHBondContact O-CB 3.49Å; F752-L756 VanDerWaalsContact O-CG 3.26Å; F752-L756 WeakPolarHBondContact O-CG 3.39Å; F752-L756 PolarHBondContact O-N 2.96Å; F752-L784 HydrophobicContact CD1-CD2 4.15Å; F752-L784 HydrophobicContact CE1-CD2 3.74Å |
| 753 | N | 91 | Very high | 88.4 | Confident | 83 Ų | 83 | 44.7 Ų | 44.7 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.3 | -68.6 | -17.6 | 0 | 0 | 0 | 111.4 | M749 V751 V755 L756 E757 | M749-N753 VanDerWaalsContact O-CG 3.27Å; M749-N753 PolarHBondContact O-N 3.33Å; M749-N753 PolarHBondContact O-ND2 3.19Å; V751-N753 PolarHBondContact O-N 2.88Å; N753-V755 PolarHBondContact O-N 3.05Å; N753-L756 PolarHBondContact O-N 3.15Å; N753-E757 WeakPolarHBondContact O-CG 3.29Å; N753-E757 PolarHBondContact O-N 3.37Å |
| 754 | H | 92.1 | Very high | 87.7 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 179 | 179.1 | 49.2 | 0 | 0 | 0 | 112.1 | S750 V751 L756 E757 E758 | S750-H754 VanDerWaalsContact O-CB 3.31Å; S750-H754 WeakPolarHBondContact O-CB 3.45Å; S750-H754 PolarHBondContact O-N 3.36Å; V751-H754 PolarHBondContact O-N 3.44Å; H754-L756 PolarHBondContact O-N 3.03Å; H754-E757 PolarHBondContact O-N 2.93Å; H754-E758 IonicContact CE1-OE1 3.97Å; H754-E758 PolarHBondContact CE1-OE1 3.46Å; H754-E758 VanDerWaalsContact CE1-OE1 3.31Å; H754-E758 IonicContact NE2-OE1 3.26Å; H754-E758 PolarHBondContact NE2-OE1 3.08Å; H754-E758 WeakPolarHBondContact O-CG 3.4Å; H754-E758 PolarHBondContact O-N 3Å |
| 755 | V | 91.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L712 V716 V751 F752 N753 E757 E758 V759 A780 | L712-V755 HydrophobicContact CD1-CG1 4.14Å; L712-V755 HydrophobicContact CD2-CB 4.12Å; L712-V755 HydrophobicContact CD2-CG1 4.05Å; L712-V755 HydrophobicContact CG-CG1 4.18Å; V716-V755 HydrophobicContact CG2-CG1 3.81Å; V751-V755 HydrophobicContact CG1-CG2 4.26Å; V751-V755 WeakPolarHBondContact O-CB 3.49Å; V751-V755 VanDerWaalsContact O-CG2 3.3Å; V751-V755 WeakPolarHBondContact O-CG2 3.35Å; V751-V755 PolarHBondContact O-N 3.37Å; F752-V755 PolarHBondContact O-N 3.36Å; N753-V755 PolarHBondContact O-N 3.05Å; V755-E757 PolarHBondContact O-N 3.22Å; V755-E758 PolarHBondContact O-N 3.47Å; V755-V759 HydrophobicContact CG1-CG2 4.18Å; V755-V759 WeakPolarHBondContact O-CB 3.49Å; V755-V759 WeakPolarHBondContact O-CG2 3.49Å; V755-V759 PolarHBondContact O-N 3.22Å; V755-A780 HydrophobicContact CG1-CB 3.9Å; V755-A780 HydrophobicContact CG2-CB 3.72Å |
| 756 | L | 89.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 178.5 | -72.2 | 170.7 | 0 | 0 | 0 | 112.4 | L712 F729 Y732 F752 N753 H754 V759 E760 | L712-L756 HydrophobicContact CD1-CD2 3.66Å; L712-L756 HydrophobicContact CD1-CG 3.88Å; F729-L756 HydrophobicContact CE1-CD2 4.41Å; Y732-L756 HydrophobicContact CD1-CD1 4.2Å; Y732-L756 HydrophobicContact CE1-CD1 3.7Å; Y732-L756 HydrophobicContact CE1-CD2 4.42Å; Y732-L756 HydrophobicContact CE2-CD2 4.31Å; F752-L756 WeakPolarHBondContact O-CB 3.49Å; F752-L756 VanDerWaalsContact O-CG 3.26Å; F752-L756 WeakPolarHBondContact O-CG 3.39Å; F752-L756 PolarHBondContact O-N 2.96Å; N753-L756 PolarHBondContact O-N 3.15Å; H754-L756 PolarHBondContact O-N 3.03Å; L756-V759 PolarHBondContact O-N 2.91Å; L756-E760 PolarHBondContact O-N 2.92Å |
| 757 | E | 88.8 | Confident | 84.6 | Confident | 132 Ų | 132 | 63.1 Ų | 63.1 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61 | -43.2 | 175.7 | -74.6 | 173.3 | -172.2 | 0 | 0 | 112 | N753 H754 V755 G761 | N753-E757 WeakPolarHBondContact O-CG 3.29Å; N753-E757 PolarHBondContact O-N 3.37Å; H754-E757 PolarHBondContact O-N 2.93Å; V755-E757 PolarHBondContact O-N 3.22Å; E757-G761 PolarHBondContact O-N 3.08Å |
| 758 | E | 88.1 | Confident | 83.3 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.4 | -72.4 | -166.5 | 160.3 | 0 | 0 | 112.4 | H754 V755 G761 L762 | H754-E758 IonicContact CE1-OE1 3.97Å; H754-E758 PolarHBondContact CE1-OE1 3.46Å; H754-E758 VanDerWaalsContact CE1-OE1 3.31Å; H754-E758 IonicContact NE2-OE1 3.26Å; H754-E758 PolarHBondContact NE2-OE1 3.08Å; H754-E758 WeakPolarHBondContact O-CG 3.4Å; H754-E758 PolarHBondContact O-N 3Å; V755-E758 PolarHBondContact O-N 3.47Å; E758-G761 PolarHBondContact O-N 3.37Å; E758-L762 WeakPolarHBondContact O-CG 3.39Å; E758-L762 PolarHBondContact O-N 3.33Å |
| 759 | V | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | -178.8 | 177 | 0 | 0 | 0 | 0 | 110.5 | V716 A719 L720 F729 V755 L756 G761 L762 S763 | V716-V759 HydrophobicContact CB-CG2 4.28Å; V716-V759 HydrophobicContact CG1-CG2 3.73Å; V716-V759 HydrophobicContact CG2-CG2 3.64Å; A719-V759 HydrophobicContact CB-CG1 4.33Å; L720-V759 HydrophobicContact CD1-CG1 4.26Å; L720-V759 HydrophobicContact CD1-CG2 4.25Å; L720-V759 HydrophobicContact CD2-CG1 3.76Å; L720-V759 HydrophobicContact CG-CG1 3.85Å; F729-V759 HydrophobicContact CE1-CG1 4.35Å; F729-V759 HydrophobicContact CZ-CB 4.34Å; F729-V759 HydrophobicContact CZ-CG1 3.62Å; V755-V759 HydrophobicContact CG1-CG2 4.18Å; V755-V759 WeakPolarHBondContact O-CB 3.49Å; V755-V759 WeakPolarHBondContact O-CG2 3.49Å; V755-V759 PolarHBondContact O-N 3.22Å; L756-V759 PolarHBondContact O-N 2.91Å; V759-G761 VanDerWaalsContact C-N 3.3Å; V759-G761 PolarHBondContact O-N 2.79Å; V759-L762 PolarHBondContact O-N 3.33Å; V759-S763 WeakPolarHBondContact O-CB 3.45Å; V759-S763 PolarHBondContact O-N 2.88Å |
| 760 | E | 84.4 | Confident | 81.5 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 172.9 | -173.6 | 178.4 | -173.3 | 0 | 0 | 110.9 | F729 L756 L762 S763 | F729-E760 HydrophobicContact CD1-CB 4.39Å; F729-E760 HydrophobicContact CE1-CB 4.37Å; L756-E760 PolarHBondContact O-N 2.92Å; E760-L762 VanDerWaalsContact C-N 3.27Å; E760-L762 PolarHBondContact O-N 3.42Å; E760-S763 PolarHBondContact O-N 3.08Å |
| 761 | G | 82.8 | Confident | 80.9 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -31.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | E757 E758 V759 K765 | E757-G761 PolarHBondContact O-N 3.08Å; E758-G761 PolarHBondContact O-N 3.37Å; V759-G761 VanDerWaalsContact C-N 3.3Å; V759-G761 PolarHBondContact O-N 2.79Å; G761-K765 WeakPolarHBondContact O-CD 3.36Å; G761-K765 WeakPolarHBondContact O-CE 3.41Å; G761-K765 PolarHBondContact O-NZ 3.19Å |
| 762 | L | 83.4 | Confident | 80.5 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -92.3 | -25.7 | 178.9 | -71.4 | 169.2 | 0 | 0 | 0 | 113.3 | L720 E758 V759 E760 R764 K765 L772 C776 | L720-L762 HydrophobicContact CD2-CB 4.17Å; E758-L762 WeakPolarHBondContact O-CG 3.39Å; E758-L762 PolarHBondContact O-N 3.33Å; V759-L762 PolarHBondContact O-N 3.33Å; E760-L762 VanDerWaalsContact C-N 3.27Å; E760-L762 PolarHBondContact O-N 3.42Å; L762-R764 PolarHBondContact O-N 3.31Å; L762-K765 PolarHBondContact O-N 3.22Å; L762-L772 HydrophobicContact CD2-CB 4.24Å; L762-C776 HydrophobicContact CD1-CB 3.54Å |
| 763 | S | 72.9 | Confident | 80.1 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 12% | 0.119 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132 | -180 | -170.5 | 0 | 0 | 0 | 0 | 111 | V759 E760 K765 | V759-S763 WeakPolarHBondContact O-CB 3.45Å; V759-S763 PolarHBondContact O-N 2.88Å; E760-S763 PolarHBondContact O-N 3.08Å; S763-K765 PolarHBondContact O-N 3.33Å |
| 764 | R | 69.6 | Low | 79.9 | Confident | 182 Ų | 182 | 65.4 Ų | 65.4 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -0.4 | 177.6 | -51.2 | 174.5 | 179 | 178.5 | -1.6 | 116.8 | L762 | L762-R764 PolarHBondContact O-N 3.31Š|
| 765 | K | 68.1 | Low | 79.8 | Confident | 147 Ų | 147 | 61.7 Ų | 61.7 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -23.8 | 178.5 | -67.4 | -170 | -168.1 | 153.8 | 0 | 114.3 | G761 L762 S763 | G761-K765 WeakPolarHBondContact O-CD 3.36Å; G761-K765 WeakPolarHBondContact O-CE 3.41Å; G761-K765 PolarHBondContact O-NZ 3.19Å; L762-K765 PolarHBondContact O-N 3.22Å; S763-K765 PolarHBondContact O-N 3.33Å |
| 766 | H | 67.8 | Low | 79.7 | Confident | 79 Ų | 79 | 61.9 Ų | 61.9 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -130.8 | 154.3 | -175.5 | -61.5 | -66.7 | 0 | 0 | 0 | 111.5 | ||
| 767 | P | 65.3 | Low | 79.8 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | trans | -58.9 | 145.9 | 173 | 23.2 | -32.3 | 0 | 0 | 0 | 111.1 | V769 H773 | P767-V769 PolarHBondContact O-N 3.08Å; P767-H773 PolarHBondContact O-CE1 2.74Å | ||
| 768 | P | 62.3 | Low | 80 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -54.2 | 136.7 | -178.7 | -23.2 | 31.5 | 0 | 0 | 0 | 111.6 | P724 | P724-P768 HydrophobicContact CG-CG 4.45Š|
| 769 | V | 71.3 | Confident | 80.3 | Confident | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 63.6 | 75.7 | -179.6 | -164.6 | 0 | 0 | 0 | 0 | 113.7 | L641 C664 I667 I721 P767 H773 | L641-V769 HydrophobicContact CD1-CG1 3.73Å; L641-V769 HydrophobicContact CD2-CG1 4.47Å; C664-V769 HydrophobicContact CB-CB 4.1Å; C664-V769 HydrophobicContact CB-CG2 3.65Å; I667-V769 HydrophobicContact CD1-CG1 4.44Å; I667-V769 HydrophobicContact CG2-CG1 3.75Å; I721-V769 HydrophobicContact CB-CG2 4.39Å; I721-V769 HydrophobicContact CG2-CG2 3.72Å; P767-V769 PolarHBondContact O-N 3.08Å; V769-H773 PolarHBondContact N-ND1 3.26Å |
| 770 | S | 76 | Confident | 80.6 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | trans | -113.1 | 166 | 173.3 | 75.9 | 0 | 0 | 0 | 0 | 110.7 | L772 H773 T774 | S770-L772 PolarHBondContact O-N 3.07Å; S770-L772 PolarHBondContact OG-N 2.87Å; S770-H773 PolarHBondContact N-ND1 3.42Å; S770-H773 VanDerWaalsContact N-ND1 3.19Å; S770-H773 PolarHBondContact O-N 3.44Å; S770-H773 VanDerWaalsContact O-N 3.11Å; S770-H773 PolarHBondContact OG-N 2.97Å; S770-H773 PolarHBondContact OG-ND1 2.84Å; S770-T774 PolarHBondContact O-N 3.49Å; S770-T774 VanDerWaalsContact O-N 3.14Å; S770-T774 PolarHBondContact O-OG1 3.16Å | ||
| 771 | Y | 79.8 | Confident | 81.1 | Confident | 174 Ų | 174 | 48.5 Ų | 48.5 | 68% | 0.682 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.4 | -27.1 | 174.1 | 72.6 | -88.6 | 0 | 0 | 0 | 112.4 | T774 G775 | Y771-T774 WeakPolarHBondContact CA-OG1 3.39Å; Y771-T774 PolarHBondContact O-OG1 3.11Å; Y771-G775 PolarHBondContact O-N 3.22Å |
| 772 | L | 84.3 | Confident | 81.7 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 175.3 | -63.2 | 171 | 0 | 0 | 0 | 111.3 | L762 S770 G775 C776 | L762-L772 HydrophobicContact CD2-CB 4.24Å; S770-L772 PolarHBondContact O-N 3.07Å; S770-L772 PolarHBondContact OG-N 2.87Å; L772-G775 PolarHBondContact O-N 2.81Å; L772-C776 PolarHBondContact O-N 3.43Å |
| 773 | H | 85.6 | Confident | 82.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 176.5 | -56.6 | 149.2 | 0 | 0 | 0 | 111.6 | L720 P767 V769 S770 G775 L777 | L720-H773 HydrophobicContact CB-CB 4.42Å; P767-H773 PolarHBondContact O-CE1 2.74Å; V769-H773 PolarHBondContact N-ND1 3.26Å; S770-H773 PolarHBondContact N-ND1 3.42Å; S770-H773 VanDerWaalsContact N-ND1 3.19Å; S770-H773 PolarHBondContact O-N 3.44Å; S770-H773 VanDerWaalsContact O-N 3.11Å; S770-H773 PolarHBondContact OG-N 2.97Å; S770-H773 PolarHBondContact OG-ND1 2.84Å; H773-G775 VanDerWaalsContact C-N 3.34Å; H773-L777 PolarHBondContact O-N 3.01Å; H773-L777 VanDerWaalsContact O-N 3.14Å |
| 774 | T | 87.1 | Confident | 83.2 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.4 | -30.9 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | C638 L641 I667 S770 Y771 C778 | C638-T774 HydrophobicContact CB-CG2 4.23Å; L641-T774 HydrophobicContact CB-CG2 4.4Å; L641-T774 HydrophobicContact CD2-CG2 3.68Å; I667-T774 HydrophobicContact CD1-CG2 4.42Å; S770-T774 PolarHBondContact O-N 3.49Å; S770-T774 VanDerWaalsContact O-N 3.14Å; S770-T774 PolarHBondContact O-OG1 3.16Å; Y771-T774 WeakPolarHBondContact CA-OG1 3.39Å; Y771-T774 PolarHBondContact O-OG1 3.11Å; T774-C778 PolarHBondContact O-N 2.85Å; T774-C778 VanDerWaalsContact O-N 3.08Å; T774-C778 PolarHBondContact O-SG 2.97Å; T774-C778 VanDerWaalsContact O-SG 3.33Å |
| 775 | G | 89.2 | Confident | 84.4 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -54.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y771 L772 H773 L777 C778 D779 | Y771-G775 PolarHBondContact O-N 3.22Å; L772-G775 PolarHBondContact O-N 2.81Å; H773-G775 VanDerWaalsContact C-N 3.34Å; G775-L777 VanDerWaalsContact C-N 3.28Å; G775-L777 PolarHBondContact O-N 2.99Å; G775-C778 CarbonylContact O-C 3.59Å; G775-C778 WeakPolarHBondContact O-CA 3.44Å; G775-C778 WeakPolarHBondContact O-CB 3.44Å; G775-C778 PolarHBondContact O-N 3.48Å; G775-D779 WeakPolarHBondContact O-CB 3.48Å; G775-D779 PolarHBondContact O-N 3.13Å |
| 776 | C | 90.4 | Very high | 85.5 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.9 | -41.9 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | L720 L762 L772 D779 A780 | L720-C776 HydrophobicContact CD1-CB 4.45Å; L762-C776 HydrophobicContact CD1-CB 3.54Å; L772-C776 PolarHBondContact O-N 3.43Å; C776-D779 PolarHBondContact O-N 2.94Å; C776-A780 VanDerWaalsContact O-CB 3.27Å; C776-A780 WeakPolarHBondContact O-CB 3.34Å; C776-A780 PolarHBondContact O-N 2.94Å |
| 777 | L | 91.8 | Very high | 86.6 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 173.5 | -81.2 | 166.5 | 0 | 0 | 0 | 112.6 | L634 M671 V716 I717 I721 H773 G775 A780 V781 | L634-L777 HydrophobicContact CD2-CD2 4.38Å; M671-L777 HydrophobicContact CE-CD1 4.21Å; M671-L777 HydrophobicContact SD-CD1 4.34Å; V716-L777 HydrophobicContact CB-CD2 4.05Å; V716-L777 HydrophobicContact CG1-CD2 3.49Å; V716-L777 VanDerWaalsContact CG1-CD2 3.49Å; V716-L777 HydrophobicContact CG1-CG 4.07Å; I717-L777 HydrophobicContact CG1-CD1 4.48Å; I717-L777 HydrophobicContact CG1-CD2 3.8Å; I721-L777 HydrophobicContact CD1-CD1 3.55Å; I721-L777 HydrophobicContact CG1-CD1 4.5Å; H773-L777 PolarHBondContact O-N 3.01Å; H773-L777 VanDerWaalsContact O-N 3.14Å; G775-L777 VanDerWaalsContact C-N 3.28Å; G775-L777 PolarHBondContact O-N 2.99Å; L777-A780 PolarHBondContact O-N 3.42Å; L777-V781 VanDerWaalsContact O-CG2 3.31Å; L777-V781 WeakPolarHBondContact O-CG2 3.02Å; L777-V781 PolarHBondContact O-N 3.01Å; L777-V781 VanDerWaalsContact O-N 3.07Å |
| 778 | C | 93.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 178 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | Y583 C638 T774 G775 V781 I782 | Y583-C778 HydrophobicContact CD1-CB 3.58Å; Y583-C778 HydrophobicContact CD2-CB 4.49Å; Y583-C778 HydrophobicContact CE1-CB 3.36Å; Y583-C778 HydrophobicContact CE2-CB 4.3Å; Y583-C778 HydrophobicContact CG-CB 4.17Å; C638-C778 VanDerWaalsContact CB-SG 3.55Å; T774-C778 PolarHBondContact O-N 2.85Å; T774-C778 VanDerWaalsContact O-N 3.08Å; T774-C778 PolarHBondContact O-SG 2.97Å; T774-C778 VanDerWaalsContact O-SG 3.33Å; G775-C778 CarbonylContact O-C 3.59Å; G775-C778 WeakPolarHBondContact O-CA 3.44Å; G775-C778 WeakPolarHBondContact O-CB 3.44Å; G775-C778 PolarHBondContact O-N 3.48Å; C778-V781 WeakPolarHBondContact O-CB 3.3Å; C778-V781 PolarHBondContact O-N 3.22Å; C778-I782 PolarHBondContact O-N 3.14Å |
| 779 | D | 93.6 | Very high | 89.1 | Confident | 51 Ų | 51 | 24 Ų | 24 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.1 | -60.9 | -25.2 | 0 | 0 | 0 | 110.3 | Y583 G775 C776 V781 I782 A783 | Y583-D779 VanDerWaalsContact CE1-OD1 3.25Å; Y583-D779 WeakPolarHBondContact CE1-OD1 3.34Å; Y583-D779 PolarHBondContact OH-OD1 3.48Å; G775-D779 WeakPolarHBondContact O-CB 3.48Å; G775-D779 PolarHBondContact O-N 3.13Å; C776-D779 PolarHBondContact O-N 2.94Å; D779-V781 VanDerWaalsContact C-N 3.35Å; D779-V781 PolarHBondContact O-N 3.14Å; D779-I782 PolarHBondContact O-N 3.29Å; D779-A783 WeakPolarHBondContact O-CB 3.17Å; D779-A783 PolarHBondContact O-N 3.23Å |
| 780 | A | 93.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V755 C776 L777 A783 L784 | V755-A780 HydrophobicContact CG1-CB 3.9Å; V755-A780 HydrophobicContact CG2-CB 3.72Å; C776-A780 VanDerWaalsContact O-CB 3.27Å; C776-A780 WeakPolarHBondContact O-CB 3.34Å; C776-A780 PolarHBondContact O-N 2.94Å; L777-A780 PolarHBondContact O-N 3.42Å; A780-A783 PolarHBondContact O-N 2.99Å; A780-L784 VanDerWaalsContact O-CG 3.29Å; A780-L784 WeakPolarHBondContact O-CG 3.46Å; A780-L784 PolarHBondContact O-N 2.77Å |
| 781 | V | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L631 L634 I635 L777 C778 D779 L784 L785 | L631-V781 HydrophobicContact CB-CG1 3.91Å; L631-V781 HydrophobicContact CD2-CB 4.39Å; L631-V781 HydrophobicContact CD2-CG1 4.03Å; L631-V781 HydrophobicContact CD2-CG2 3.78Å; L631-V781 HydrophobicContact CG-CG1 4.36Å; L634-V781 HydrophobicContact CD2-CG2 3.86Å; I635-V781 HydrophobicContact CD1-CB 4.46Å; I635-V781 HydrophobicContact CD1-CG1 3.77Å; I635-V781 HydrophobicContact CG1-CB 4.49Å; I635-V781 HydrophobicContact CG1-CG1 4.2Å; L777-V781 VanDerWaalsContact O-CG2 3.31Å; L777-V781 WeakPolarHBondContact O-CG2 3.02Å; L777-V781 PolarHBondContact O-N 3.01Å; L777-V781 VanDerWaalsContact O-N 3.07Å; C778-V781 WeakPolarHBondContact O-CB 3.3Å; C778-V781 PolarHBondContact O-N 3.22Å; D779-V781 VanDerWaalsContact C-N 3.35Å; D779-V781 PolarHBondContact O-N 3.14Å; V781-L784 PolarHBondContact O-N 3.11Å; V781-L785 HydrophobicContact CG1-CD1 3.82Å; V781-L785 HydrophobicContact CG1-CG 4.38Å; V781-L785 VanDerWaalsContact O-CG 3.28Å; V781-L785 WeakPolarHBondContact O-CG 3.48Å; V781-L785 PolarHBondContact O-N 3.39Å |
| 782 | I | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.3 | -70.3 | 172.8 | 0 | 0 | 0 | 110.6 | L578 Y583 A586 C778 D779 L784 L785 K786 | L578-I782 HydrophobicContact CB-CG2 4.29Å; Y583-I782 HydrophobicContact CD1-CD1 3.74Å; Y583-I782 HydrophobicContact CE1-CD1 3.96Å; A586-I782 HydrophobicContact CB-CD1 4.38Å; A586-I782 HydrophobicContact CB-CG1 4.2Å; C778-I782 PolarHBondContact O-N 3.14Å; D779-I782 PolarHBondContact O-N 3.29Å; I782-L784 VanDerWaalsContact C-N 3.31Å; I782-L784 PolarHBondContact O-N 3.35Å; I782-L785 PolarHBondContact O-N 3.4Å; I782-L785 VanDerWaalsContact O-N 3.15Å; I782-K786 HydrophobicContact CG2-CD 3.97Å; I782-K786 HydrophobicContact CG2-CG 4.24Å; I782-K786 WeakPolarHBondContact O-CG 3.39Å; I782-K786 PolarHBondContact O-N 2.97Å |
| 783 | A | 94.2 | Very high | 92.3 | Very high | 18 Ų | 18 | 17.4 Ų | 17.4 | 15% | 0.149 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V751 D779 A780 | V751-A783 HydrophobicContact CG1-CB 3.83Å; D779-A783 WeakPolarHBondContact O-CB 3.17Å; D779-A783 PolarHBondContact O-N 3.23Å; A780-A783 PolarHBondContact O-N 2.99Å |
| 784 | L | 94.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 18.5 Ų | 18.5 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 175.2 | -71.8 | 171.5 | 0 | 0 | 0 | 112.7 | V713 M748 V751 F752 A780 V781 I782 | V713-L784 HydrophobicContact CG2-CD1 3.7Å; M748-L784 HydrophobicContact CE-CD2 4.39Å; V751-L784 HydrophobicContact CG1-CD2 3.78Å; V751-L784 HydrophobicContact CG1-CG 4.14Å; F752-L784 HydrophobicContact CD1-CD2 4.15Å; F752-L784 HydrophobicContact CE1-CD2 3.74Å; A780-L784 VanDerWaalsContact O-CG 3.29Å; A780-L784 WeakPolarHBondContact O-CG 3.46Å; A780-L784 PolarHBondContact O-N 2.77Å; V781-L784 PolarHBondContact O-N 3.11Å; I782-L784 VanDerWaalsContact C-N 3.31Å; I782-L784 PolarHBondContact O-N 3.35Å |
| 785 | L | 94 | Very high | 93.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -73.7 | -27.6 | -179.8 | -69.3 | 174.8 | 0 | 0 | 0 | 113.3 | L575 L578 I590 L628 L631 V781 I782 V787 | L575-L785 HydrophobicContact CD1-CD2 4.28Å; L578-L785 HydrophobicContact CD1-CB 3.77Å; L578-L785 HydrophobicContact CD1-CD1 4.09Å; I590-L785 HydrophobicContact CD1-CD1 3.76Å; I590-L785 HydrophobicContact CG1-CD1 3.9Å; L628-L785 HydrophobicContact CD2-CD2 3.44Å; L628-L785 VanDerWaalsContact CD2-CD2 3.44Å; L631-L785 HydrophobicContact CD1-CD2 3.83Å; L631-L785 HydrophobicContact CD1-CG 4.29Å; V781-L785 HydrophobicContact CG1-CD1 3.82Å; V781-L785 HydrophobicContact CG1-CG 4.38Å; V781-L785 VanDerWaalsContact O-CG 3.28Å; V781-L785 WeakPolarHBondContact O-CG 3.48Å; V781-L785 PolarHBondContact O-N 3.39Å; I782-L785 PolarHBondContact O-N 3.4Å; I782-L785 VanDerWaalsContact O-N 3.15Å; L785-V787 PolarHBondContact O-N 3.08Å |
| 786 | K | 90.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 18.8 Ų | 18.8 | 29% | 0.291 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.1 | 176.5 | -82 | 177.5 | 167.7 | -176.8 | 0 | 113.7 | L578 D580 I782 P788 | L578-K786 HydrophobicContact CB-CG 4.38Å; L578-K786 WeakPolarHBondContact O-CE 3.48Å; D580-K786 IonicContact OD1-NZ 3.69Å; D580-K786 PolarHBondContact OD1-NZ 3.2Å; D580-K786 IonicContact OD2-NZ 3.1Å; D580-K786 PolarHBondContact OD2-NZ 3.17Å; I782-K786 HydrophobicContact CG2-CD 3.97Å; I782-K786 HydrophobicContact CG2-CG 4.24Å; I782-K786 WeakPolarHBondContact O-CG 3.39Å; I782-K786 PolarHBondContact O-N 2.97Å; K786-P788 VanDerWaalsContact O-CD 3.26Å; K786-P788 WeakPolarHBondContact O-CD 3.46Å |
| 787 | V | 91.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -81.4 | 112.6 | 175.2 | -172 | 0 | 0 | 0 | 0 | 108.8 | Y744 R747 M748 V751 L785 L789 | Y744-V787 HydrophobicContact CD2-CG1 3.85Å; Y744-V787 HydrophobicContact CE2-CG1 3.71Å; R747-V787 HydrophobicContact CB-CG1 3.98Å; R747-V787 HydrophobicContact CB-CG2 4.29Å; M748-V787 HydrophobicContact CG-CG1 4.11Å; M748-V787 HydrophobicContact SD-CB 3.87Å; M748-V787 HydrophobicContact SD-CG1 3.77Å; M748-V787 HydrophobicContact SD-CG2 4.1Å; V751-V787 HydrophobicContact CG2-CG2 3.88Å; L785-V787 PolarHBondContact O-N 3.08Å; V787-L789 PolarHBondContact O-N 3.17Å |
| 788 | P | 87.7 | Confident | 93.6 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | trans | -62.9 | 134.5 | -177 | -20.8 | 33.5 | 0 | 0 | 0 | 111.2 | Y744 K786 S790 | Y744-P788 WeakPolarHBondContact CD2-O 3.44Å; Y744-P788 VanDerWaalsContact CE2-O 3.22Å; Y744-P788 WeakPolarHBondContact CE2-O 3.38Å; K786-P788 VanDerWaalsContact O-CD 3.26Å; K786-P788 WeakPolarHBondContact O-CD 3.46Å; P788-S790 PolarHBondContact O-N 3.19Å | ||
| 789 | L | 92.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | trans | -67.3 | 122.4 | -178.3 | -175.7 | 67.9 | 0 | 0 | 0 | 111.6 | H539 E572 F620 R624 V787 F791 | H539-L789 PolarHBondContact CE1-O 2.97Å; H539-L789 PolarHBondContact NE2-O 3.28Å; E572-L789 HydrophobicContact CG-CB 4.11Å; E572-L789 VanDerWaalsContact OE2-CB 3.25Å; E572-L789 WeakPolarHBondContact OE2-CB 3.3Å; F620-L789 HydrophobicContact CE1-CD2 4.12Å; F620-L789 HydrophobicContact CZ-CD1 4.29Å; F620-L789 HydrophobicContact CZ-CD2 4.29Å; R624-L789 HydrophobicContact CG-CD2 4.16Å; V787-L789 PolarHBondContact O-N 3.17Å; L789-F791 HydrophobicContact CD2-CE1 4.05Å; L789-F791 HydrophobicContact CD2-CZ 3.99Å; L789-F791 PolarHBondContact O-N 3.06Å | ||
| 790 | S | 93 | Very high | 93.3 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | trans | -84.8 | 113.9 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | R535 N702 P788 Q792 | R535-S790 WeakPolarHBondContact O-CB 3.48Å; R535-S790 PolarHBondContact O-OG 3.22Å; N702-S790 PolarHBondContact ND2-O 2.99Å; P788-S790 PolarHBondContact O-N 3.19Å; S790-Q792 PolarHBondContact O-N 3.31Å; S790-Q792 PolarHBondContact OG-NE2 3.18Å | ||
| 791 | F | 95.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | trans | -77.9 | 103.8 | 170.4 | -68.1 | -73.8 | 0 | 0 | 0 | 110.3 | R535 H539 F568 E572 F620 L789 F795 F796 | R535-F791 WeakPolarHBondContact CA-O 3.49Å; R535-F791 WeakPolarHBondContact CB-O 3.39Å; R535-F791 WeakPolarHBondContact CG-O 3.24Å; H539-F791 AromaticContact CE1-CD2 3.94Å; H539-F791 AromaticContact CE1-CE2 3.82Å; F568-F791 HydrophobicContact CB-CZ 4.02Å; E572-F791 HydrophobicContact CG-CE2 4.41Å; F620-F791 HydrophobicContact CE1-CD1 4.23Å; F620-F791 HydrophobicContact CE1-CE1 4.1Å; L789-F791 HydrophobicContact CD2-CE1 4.05Å; L789-F791 HydrophobicContact CD2-CZ 3.99Å; L789-F791 PolarHBondContact O-N 3.06Å; F791-F795 HydrophobicContact CD1-CD1 4.38Å; F791-F795 HydrophobicContact CD1-CD2 4.2Å; F791-F795 HydrophobicContact CD1-CE1 4.4Å; F791-F795 HydrophobicContact CD1-CE2 4.21Å; F791-F795 HydrophobicContact CD1-CG 4.29Å; F791-F795 HydrophobicContact CD1-CZ 4.31Å; F791-F795 HydrophobicContact CE1-CE2 4.39Å; F791-F795 HydrophobicContact CE1-CZ 4.39Å; F791-F796 HydrophobicContact CB-CE2 3.7Å; F791-F796 HydrophobicContact CB-CZ 3.8Å; F791-F796 WeakPolarHBondContact O-CE2 3.34Å | ||
| 792 | Q | 95.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 9% | 0.089 | 14% | 0.14 | C | C | . | . | trans | -74.5 | 165 | -174.4 | -59.7 | -62 | -15.6 | 0 | 0 | 113.2 | T699 N702 S790 Y794 F795 | T699-Q792 HydrophobicContact CG2-CB 4.32Å; T699-Q792 VanDerWaalsContact OG1-CB 3.24Å; T699-Q792 WeakPolarHBondContact OG1-CB 3.26Å; N702-Q792 HydrophobicContact CB-CG 3.64Å; S790-Q792 PolarHBondContact O-N 3.31Å; S790-Q792 PolarHBondContact OG-NE2 3.18Å; Q792-Y794 VanDerWaalsContact C-N 3.29Å; Q792-Y794 PolarHBondContact O-N 2.96Å; Q792-F795 WeakPolarHBondContact O-CB 3.36Å; Q792-F795 PolarHBondContact O-N 3.2Å | ||
| 793 | R | 94.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 31.2 Ų | 31.2 | 38% | 0.377 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -52.4 | -42.9 | -171.6 | -174 | -176.7 | -171.7 | 154.1 | 10.4 | 113.5 | D696 F795 F796 Q797 | D696-R793 WeakPolarHBondContact OD2-CB 3.42Å; D696-R793 VanDerWaalsContact OD2-CD 3.22Å; D696-R793 WeakPolarHBondContact OD2-CD 3.31Å; R793-F795 PolarHBondContact O-N 2.92Å; R793-F796 PolarHBondContact O-N 3.24Å; R793-Q797 HydrophobicContact CG-CG 3.6Å; R793-Q797 PolarHBondContact O-N 3.36Å |
| 794 | Y | 96.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 11% | 0.114 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -25.6 | -176.7 | -171.2 | -114.7 | 0 | 0 | 0 | 112.7 | Y616 D694 A695 T699 Q792 F796 K798 | Y616-Y794 AromaticContact CD1-CD1 3.67Å; Y616-Y794 HydrophobicContact CD1-CD1 3.67Å; Y616-Y794 AromaticContact CD1-CE1 3.99Å; Y616-Y794 HydrophobicContact CD1-CE1 3.99Å; Y616-Y794 AromaticContact CD2-CD1 3.87Å; Y616-Y794 HydrophobicContact CD2-CD1 3.87Å; Y616-Y794 AromaticContact CD2-CE1 3.67Å; Y616-Y794 HydrophobicContact CD2-CE1 3.67Å; Y616-Y794 AromaticContact CE1-CD1 3.82Å; Y616-Y794 HydrophobicContact CE1-CD1 3.82Å; Y616-Y794 AromaticContact CE2-CD1 3.98Å; Y616-Y794 HydrophobicContact CE2-CD1 3.98Å; Y616-Y794 HydrophobicContact CE2-CE1 4.2Å; Y616-Y794 AromaticContact CG-CD1 3.72Å; Y616-Y794 HydrophobicContact CG-CD1 3.72Å; Y616-Y794 AromaticContact CG-CE1 3.57Å; Y616-Y794 HydrophobicContact CG-CE1 3.57Å; Y616-Y794 AromaticContact CZ-CD1 3.99Å; D694-Y794 HydrophobicContact CB-CE2 3.84Å; D694-Y794 WeakPolarHBondContact O-CE2 3.26Å; A695-Y794 HydrophobicContact CB-CD1 3.64Å; A695-Y794 HydrophobicContact CB-CD2 4.07Å; A695-Y794 HydrophobicContact CB-CE1 3.95Å; A695-Y794 HydrophobicContact CB-CE2 4.32Å; A695-Y794 HydrophobicContact CB-CG 3.7Å; T699-Y794 HydrophobicContact CG2-CD1 4.22Å; T699-Y794 HydrophobicContact CG2-CG 4.38Å; T699-Y794 WeakPolarHBondContact OG1-CB 3.36Å; T699-Y794 PolarHBondContact OG1-N 2.78Å; Q792-Y794 VanDerWaalsContact C-N 3.29Å; Q792-Y794 PolarHBondContact O-N 2.96Å; Y794-F796 PolarHBondContact O-N 3.41Å; Y794-K798 HydrophobicContact CE2-CB 4.41Å; Y794-K798 HydrophobicContact CE2-CD 4.38Å; Y794-K798 HydrophobicContact CE2-CG 4Å |
| 795 | F | 97.6 | Very high | 92 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -33.9 | 173.4 | -165.8 | -88.7 | 0 | 0 | 0 | 112.2 | W561 L565 F568 Y616 Q617 F620 V621 F791 Q792 R793 | W561-F795 HydrophobicContact CH2-CD1 4.04Å; W561-F795 AromaticContact CH2-CE1 3.82Å; W561-F795 HydrophobicContact CH2-CE1 3.82Å; W561-F795 WeakPolarHBondContact CH2-O 3.28Å; W561-F795 HydrophobicContact CZ3-CE1 4.4Å; L565-F795 HydrophobicContact CD2-CD1 4.37Å; L565-F795 HydrophobicContact CD2-CE1 3.67Å; F568-F795 HydrophobicContact CD2-CZ 4.31Å; F568-F795 HydrophobicContact CE2-CZ 4.21Å; Y616-F795 HydrophobicContact CE1-CB 4.49Å; Y616-F795 HydrophobicContact CE1-CD2 4.2Å; Q617-F795 HydrophobicContact CB-CD2 4.29Å; Q617-F795 HydrophobicContact CB-CE2 3.78Å; Q617-F795 HydrophobicContact CB-CZ 3.95Å; Q617-F795 HydrophobicContact CG-CD1 4.27Å; Q617-F795 HydrophobicContact CG-CD2 3.91Å; Q617-F795 HydrophobicContact CG-CE1 4.2Å; Q617-F795 HydrophobicContact CG-CE2 3.84Å; Q617-F795 HydrophobicContact CG-CG 4.12Å; Q617-F795 HydrophobicContact CG-CZ 3.99Å; Q617-F795 WeakPolarHBondContact CG-O 3.46Å; Q617-F795 PolarHBondContact NE2-O 2.93Å; F620-F795 HydrophobicContact CD1-CD2 4.19Å; F620-F795 HydrophobicContact CD1-CE2 4.04Å; V621-F795 HydrophobicContact CG2-CE2 4.08Å; V621-F795 HydrophobicContact CG2-CZ 4.16Å; F791-F795 HydrophobicContact CD1-CD1 4.38Å; F791-F795 HydrophobicContact CD1-CD2 4.2Å; F791-F795 HydrophobicContact CD1-CE1 4.4Å; F791-F795 HydrophobicContact CD1-CE2 4.21Å; F791-F795 HydrophobicContact CD1-CG 4.29Å; F791-F795 HydrophobicContact CD1-CZ 4.31Å; F791-F795 HydrophobicContact CE1-CE2 4.39Å; F791-F795 HydrophobicContact CE1-CZ 4.39Å; Q792-F795 WeakPolarHBondContact O-CB 3.36Å; Q792-F795 PolarHBondContact O-N 3.2Å; R793-F795 PolarHBondContact O-N 2.92Å |
| 796 | F | 96.3 | Very high | 91.8 | Very high | 28 Ų | 28 | 35 Ų | 35 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -106.6 | -33.1 | -174.6 | -55.9 | -85.3 | 0 | 0 | 0 | 114.2 | R531 W561 L565 F791 R793 Y794 | R531-F796 HydrophobicContact CB-CD1 4.49Å; R531-F796 HydrophobicContact CB-CE1 4.48Å; R531-F796 HydrophobicContact CG-CB 4.22Å; R531-F796 HydrophobicContact CG-CD1 3.79Å; R531-F796 HydrophobicContact CG-CD2 3.64Å; R531-F796 HydrophobicContact CG-CE1 4Å; R531-F796 HydrophobicContact CG-CE2 3.84Å; R531-F796 HydrophobicContact CG-CG 3.61Å; R531-F796 HydrophobicContact CG-CZ 4.02Å; W561-F796 AromaticContact CZ2-CD1 3.96Å; W561-F796 HydrophobicContact CZ2-CD1 3.96Å; L565-F796 HydrophobicContact CD1-CD1 4.4Å; L565-F796 HydrophobicContact CD1-CE1 4.03Å; L565-F796 HydrophobicContact CD2-CD1 4.48Å; L565-F796 HydrophobicContact CD2-CE1 3.76Å; F791-F796 HydrophobicContact CB-CE2 3.7Å; F791-F796 HydrophobicContact CB-CZ 3.8Å; F791-F796 WeakPolarHBondContact O-CE2 3.34Å; R793-F796 PolarHBondContact O-N 3.24Å; Y794-F796 PolarHBondContact O-N 3.41Å |
| 797 | Q | 92.4 | Very high | 91.5 | Very high | 59 Ų | 59 | 33.6 Ų | 33.6 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | trans | -145.1 | 124.5 | -174.1 | 65.1 | -173.5 | 0.7 | 0 | 0 | 111.7 | R531 R793 | R531-Q797 VanDerWaalsContact NH1-CD 3.34Å; R793-Q797 HydrophobicContact CG-CG 3.6Å; R793-Q797 PolarHBondContact O-N 3.36Å | ||
| 798 | K | 88.9 | Confident | 91.3 | Very high | 104 Ų | 104 | 34.1 Ų | 34.1 | 45% | 0.452 | 17% | 0.174 | S | C | . | . | trans | -92.8 | 112.8 | 176 | -177.1 | 168.7 | -173.9 | -172.8 | 0 | 109.2 | D694 Y794 Q800 S801 | D694-K798 WeakPolarHBondContact OD2-CE 3.38Å; D694-K798 IonicContact OD2-NZ 3.58Å; D694-K798 PolarHBondContact OD2-NZ 2.92Å; Y794-K798 HydrophobicContact CE2-CB 4.41Å; Y794-K798 HydrophobicContact CE2-CD 4.38Å; Y794-K798 HydrophobicContact CE2-CG 4Å; K798-Q800 WeakPolarHBondContact CE-O 3.38Å; K798-Q800 WeakPolarHBondContact CG-O 3.43Å; K798-S801 WeakPolarHBondContact CE-OG 3.45Å; K798-S801 PolarHBondContact NZ-OG 3.46Å; K798-S801 VanDerWaalsContact NZ-OG 3.07Å | ||
| 799 | L | 90.3 | Very high | 91.1 | Very high | 55 Ų | 55 | 35 Ų | 35 | 29% | 0.288 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -93.2 | -31.5 | -179.5 | -60.6 | -176.6 | 0 | 0 | 0 | 113.5 | L843 F844 | L799-L843 HydrophobicContact CB-CD2 3.65Å; L799-L843 HydrophobicContact CD1-CD2 4.23Å; L799-F844 HydrophobicContact CB-CE2 3.99Å; L799-F844 HydrophobicContact CB-CZ 4.24Å; L799-F844 HydrophobicContact CD1-CE2 4.3Å; L799-F844 HydrophobicContact CD1-CZ 3.73Å; L799-F844 HydrophobicContact CG-CZ 4.49Å |
| 800 | Q | 90.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | trans | -109.7 | 138.9 | 172.9 | -174.8 | 171.8 | -35.5 | 0 | 0 | 107.4 | D694 K798 T802 F844 R845 | D694-Q800 HydrophobicContact CB-CB 4.39Å; D694-Q800 VanDerWaalsContact CB-O 3.28Å; D694-Q800 WeakPolarHBondContact CB-O 3.48Å; D694-Q800 WeakPolarHBondContact OD1-CG 3.36Å; K798-Q800 WeakPolarHBondContact CE-O 3.38Å; K798-Q800 WeakPolarHBondContact CG-O 3.43Å; Q800-T802 PolarHBondContact NE2-OG1 3.32Å; Q800-F844 HydrophobicContact CB-CD2 4.03Å; Q800-F844 HydrophobicContact CB-CE2 4.44Å; Q800-R845 PolarHBondContact NE2-O 3.08Å | ||
| 801 | S | 89.1 | Confident | 90 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | trans | -134.8 | 121.6 | 172.1 | -168.2 | 0 | 0 | 0 | 0 | 110.2 | D694 K798 H837 G838 | D694-S801 WeakPolarHBondContact OD2-CA 3.49Å; K798-S801 WeakPolarHBondContact CE-OG 3.45Å; K798-S801 PolarHBondContact NZ-OG 3.46Å; K798-S801 VanDerWaalsContact NZ-OG 3.07Å; S801-H837 CarbonylContact O-C 3.12Å; S801-H837 WeakPolarHBondContact O-CA 3.28Å; S801-G838 PolarHBondContact O-N 3.5Å | ||
| 802 | T | 90.2 | Very high | 89.1 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129 | -177.7 | -45.6 | 0 | 0 | 0 | 0 | 108.8 | F693 D694 Q800 V835 Q836 I847 | F693-T802 HydrophobicContact CD1-CG2 4.23Å; F693-T802 HydrophobicContact CE1-CG2 3.96Å; F693-T802 WeakPolarHBondContact CE1-OG1 3.47Å; D694-T802 VanDerWaalsContact OD1-CB 3.31Å; D694-T802 WeakPolarHBondContact OD1-CB 3.47Å; D694-T802 PolarHBondContact OD1-N 3.3Å; D694-T802 PolarHBondContact OD1-OG1 2.92Å; D694-T802 PolarHBondContact OD2-N 3.14Å; Q800-T802 PolarHBondContact NE2-OG1 3.32Å; T802-V835 HydrophobicContact CG2-CG1 4.2Å; T802-Q836 WeakPolarHBondContact CA-O 3.33Å; T802-I847 HydrophobicContact CG2-CD1 3.52Å |
| 803 | S | 89 | Confident | 87.8 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.7 | 174.7 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | Q836 | S803-Q836 PolarHBondContact N-O 2.93Å; S803-Q836 PolarHBondContact O-N 3.31Å; S803-Q836 PolarHBondContact OG-OE1 3.21Å |
| 804 | I | 89.5 | Confident | 86.9 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.2 | 173.1 | -66.9 | 174.8 | 0 | 0 | 0 | 108.1 | L806 V834 V835 V850 F889 A909 V911 P923 | I804-L806 HydrophobicContact CG2-CD2 3.74Å; I804-L806 HydrophobicContact CG2-CG 4.11Å; I804-V834 WeakPolarHBondContact CA-O 3.47Å; I804-V835 HydrophobicContact CG1-CG2 4.38Å; I804-V850 HydrophobicContact CD1-CG1 4.04Å; I804-V850 HydrophobicContact CD1-CG2 4.12Å; I804-F889 HydrophobicContact CG2-CE1 4.13Å; I804-F889 HydrophobicContact CG2-CZ 3.9Å; I804-A909 HydrophobicContact CD1-CB 4.36Å; I804-A909 HydrophobicContact CG2-CB 4.43Å; I804-V911 HydrophobicContact CD1-CG1 3.35Å; I804-V911 HydrophobicContact CG1-CG1 4.33Å; I804-P923 HydrophobicContact CB-CG 4.44Å; I804-P923 HydrophobicContact CG2-CG 4.33Å; I804-P923 WeakPolarHBondContact O-CD 3.47Å; I804-P923 VanDerWaalsContact O-CG 3.29Å; I804-P923 WeakPolarHBondContact O-CG 3.32Å |
| 805 | K | 87.2 | Confident | 85.5 | Confident | 77 Ų | 77 | 56.3 Ų | 56.3 | 34% | 0.335 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.7 | 168 | -167.6 | 165.7 | -171.1 | 168.4 | 0 | 108.6 | E19 F57 G833 V834 | E19-K805 IonicContact OE1-NZ 3.09Å; F57-K805 HydrophobicContact CE1-CD 3.92Å; F57-K805 HydrophobicContact CE1-CG 4.33Å; F57-K805 HydrophobicContact CZ-CD 3.77Å; K805-G833 VanDerWaalsContact O-CA 3.26Å; K805-G833 WeakPolarHBondContact O-CA 3.39Å; K805-V834 PolarHBondContact N-O 3.35Å; K805-V834 PolarHBondContact O-N 3.23Å |
| 806 | L | 88.1 | Confident | 84.4 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 146.7 | 176.3 | -63.4 | 179.9 | 0 | 0 | 0 | 111 | I804 V831 E832 L852 F889 V907 A909 P923 | I804-L806 HydrophobicContact CG2-CD2 3.74Å; I804-L806 HydrophobicContact CG2-CG 4.11Å; L806-V831 HydrophobicContact CD2-CG1 4.22Å; L806-E832 CarbonylContact C-O 3.6Å; L806-E832 WeakPolarHBondContact CA-O 3.13Å; L806-L852 HydrophobicContact CD2-CD2 4.24Å; L806-F889 HydrophobicContact CD2-CE2 3.94Å; L806-F889 HydrophobicContact CD2-CZ 3.69Å; L806-V907 HydrophobicContact CD1-CG1 4.13Å; L806-A909 HydrophobicContact CD1-CB 4.09Å; L806-A909 HydrophobicContact CD2-CB 4.41Å; L806-P923 HydrophobicContact CB-CG 4.47Å; L806-P923 HydrophobicContact CD1-CG 3.84Å; L806-P923 HydrophobicContact CG-CG 3.72Å |
| 807 | A | 84.8 | Confident | 83.8 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | E832 | A807-E832 HydrophobicContact CB-CB 4.49Å; A807-E832 PolarHBondContact N-O 2.79Å; A807-E832 PolarHBondContact O-N 3.24Å |
| 808 | L | 87.6 | Confident | 83.6 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.2 | -176.7 | -56.3 | -178.7 | 0 | 0 | 0 | 109.9 | L829 V831 V907 T925 V927 | L808-L829 HydrophobicContact CB-CD1 4.33Å; L808-V831 HydrophobicContact CD2-CB 4.19Å; L808-V831 HydrophobicContact CD2-CG1 3.9Å; L808-V831 HydrophobicContact CD2-CG2 3.73Å; L808-V907 HydrophobicContact CD1-CB 4.45Å; L808-V907 HydrophobicContact CD1-CG2 4.01Å; L808-V907 HydrophobicContact CD2-CB 4.26Å; L808-V907 HydrophobicContact CD2-CG1 4.22Å; L808-V907 HydrophobicContact CD2-CG2 3.95Å; L808-T925 HydrophobicContact CD1-CG2 3.53Å; L808-T925 HydrophobicContact CG-CG2 4.27Å; L808-V927 HydrophobicContact CB-CG2 4.41Å; L808-V927 HydrophobicContact CD1-CG2 3.37Å |
| 809 | S | 84.5 | Confident | 83.7 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.4 | 175.9 | -68.1 | 0 | 0 | 0 | 0 | 110.3 | K830 | S809-K830 PolarHBondContact N-O 3.39Å; S809-K830 PolarHBondContact O-N 3.35Å |
| 810 | P | 84.2 | Confident | 83.7 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 34% | 0.338 | 36% | 0.357 | S | S | . | . | S | Bend | cis | -69 | 142.1 | 4.3 | 26.3 | -32.5 | 0 | 0 | 0 | 113.3 | I819 L827 T828 | P810-I819 HydrophobicContact CB-CD1 4.48Å; P810-I819 HydrophobicContact CG-CD1 4.1Å; P810-I819 HydrophobicContact CG-CG2 4.41Å; P810-I819 WeakPolarHBondContact O-CD1 3.37Å; P810-L827 HydrophobicContact CG-CD1 3.97Å; P810-T828 VanDerWaalsContact CD-O 3.3Å; P810-T828 WeakPolarHBondContact CD-O 3.15Å |
| 811 | S | 76.4 | Confident | 83.7 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 144.4 | 171.7 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 812 | P | 76.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 144.1 | 175.9 | 30.4 | -35.2 | 0 | 0 | 0 | 110 | T814 E817 I819 | P812-T814 WeakPolarHBondContact CB-O 3.37Å; P812-T814 PolarHBondContact O-N 3.31Å; P812-E817 WeakPolarHBondContact CB-O 3.38Å; P812-I819 HydrophobicContact CB-CG1 4.43Å |
| 813 | R | 70.2 | Confident | 83.4 | Confident | 225 Ų | 225 | 64.4 Ų | 64.4 | 85% | 0.849 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -62.9 | -33 | -179.4 | -69.7 | -179.3 | -175.4 | 162.1 | 1.4 | 112.1 | ||
| 814 | T | 73.9 | Confident | 83.1 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -136.4 | 148.7 | 169.5 | 58.5 | 0 | 0 | 0 | 0 | 108.9 | P812 T816 E817 | P812-T814 WeakPolarHBondContact CB-O 3.37Å; P812-T814 PolarHBondContact O-N 3.31Å; T814-T816 PolarHBondContact O-N 3.21Å; T814-E817 PolarHBondContact O-N 3.39Å; T814-E817 VanDerWaalsContact OG1-CB 3.24Å; T814-E817 WeakPolarHBondContact OG1-CB 3.38Å |
| 815 | P | 68.9 | Low | 83 | Confident | 132 Ų | 132 | 70.5 Ų | 70.5 | 86% | 0.857 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.5 | -175 | -25.6 | 33.9 | 0 | 0 | 0 | 115 | ||
| 816 | T | 74.1 | Confident | 83.1 | Confident | 130 Ų | 130 | 71.9 Ų | 71.9 | 80% | 0.798 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -10.8 | -177.4 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | T814 | T814-T816 PolarHBondContact O-N 3.21Š|
| 817 | E | 84.3 | Confident | 83.3 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -94 | 126.2 | -176.9 | -171.3 | 180 | -173.3 | 0 | 0 | 111 | P812 T814 | P812-E817 WeakPolarHBondContact CB-O 3.38Å; T814-E817 PolarHBondContact O-N 3.39Å; T814-E817 VanDerWaalsContact OG1-CB 3.24Å; T814-E817 WeakPolarHBondContact OG1-CB 3.38Å |
| 818 | P | 87.8 | Confident | 83.7 | Confident | 37 Ų | 37 | 73 Ų | 73 | 24% | 0.24 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 149.9 | 179.1 | 31.2 | -35.1 | 0 | 0 | 0 | 111.6 | P820 S928 K930 | P818-P820 WeakPolarHBondContact O-CD 3.49Å; P818-S928 WeakPolarHBondContact CA-O 3.44Å; P818-K930 HydrophobicContact CB-CB 3.84Å; P818-K930 HydrophobicContact CG-CB 3.85Å; P818-K930 HydrophobicContact CG-CD 4.22Å |
| 819 | I | 90.3 | Very high | 84 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 118.5 | 175.4 | -56.2 | -179.4 | 0 | 0 | 0 | 108.7 | P810 P812 V821 L827 V927 S928 V929 K930 | P810-I819 HydrophobicContact CB-CD1 4.48Å; P810-I819 HydrophobicContact CG-CD1 4.1Å; P810-I819 HydrophobicContact CG-CG2 4.41Å; P810-I819 WeakPolarHBondContact O-CD1 3.37Å; P812-I819 HydrophobicContact CB-CG1 4.43Å; I819-V821 HydrophobicContact CG2-CG2 4.39Å; I819-L827 HydrophobicContact CG2-CD1 4.39Å; I819-V927 HydrophobicContact CD1-CG1 3.54Å; I819-V927 HydrophobicContact CG1-CG1 4.2Å; I819-S928 PolarHBondContact N-O 3.29Å; I819-V929 HydrophobicContact CB-CG2 4.48Å; I819-V929 WeakPolarHBondContact O-CA 3.49Å; I819-K930 PolarHBondContact O-N 2.87Å |
| 820 | P | 89.9 | Confident | 84.3 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 60% | 0.597 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.3 | 179.6 | 30.4 | -33 | 0 | 0 | 0 | 110.5 | P818 L932 | P818-P820 WeakPolarHBondContact O-CD 3.49Å; P820-L932 HydrophobicContact CB-CD1 3.89Å |
| 821 | V | 90.4 | Very high | 84.6 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.3 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | I819 Q825 L827 F897 V929 K930 S931 L932 | I819-V821 HydrophobicContact CG2-CG2 4.39Å; V821-Q825 HydrophobicContact CG1-CB 4.48Å; V821-L827 HydrophobicContact CG1-CB 4.47Å; V821-L827 HydrophobicContact CG2-CB 4.13Å; V821-L827 HydrophobicContact CG2-CD1 3.99Å; V821-L827 HydrophobicContact CG2-CD2 4.23Å; V821-L827 HydrophobicContact CG2-CG 4.34Å; V821-F897 HydrophobicContact CG1-CD2 4.31Å; V821-V929 HydrophobicContact CB-CG1 4.28Å; V821-V929 HydrophobicContact CG2-CG1 3.72Å; V821-K930 PolarHBondContact N-O 3.25Å; V821-S931 CarbonylContact O-C 3.5Å; V821-S931 WeakPolarHBondContact O-CA 3.48Å; V821-L932 PolarHBondContact O-N 2.78Å |
| 822 | Q | 88.1 | Confident | 85.2 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.5 | 173.1 | -63.7 | -178.5 | -17.7 | 0 | 0 | 109.5 | N824 Q825 | Q822-N824 VanDerWaalsContact CB-OD1 3.25Å; Q822-N824 WeakPolarHBondContact CB-OD1 3.27Å; Q822-N824 PolarHBondContact O-N 3.48Å; Q822-Q825 HydrophobicContact CB-CB 4.29Å; Q822-Q825 HydrophobicContact CB-CG 4.03Å; Q822-Q825 PolarHBondContact O-N 3.07Å |
| 823 | N | 84.9 | Confident | 85.7 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | -174.9 | 68.8 | -24 | 0 | 0 | 0 | 115 | F897 L900 S931 L932 D934 | N823-F897 WeakPolarHBondContact CA-O 3.36Å; N823-L900 HydrophobicContact CB-CD2 3.8Å; N823-S931 WeakPolarHBondContact CB-OG 3.5Å; N823-L932 WeakPolarHBondContact CB-O 3.38Å; N823-L932 PolarHBondContact N-O 3.43Å; N823-D934 PolarHBondContact OD1-N 3.05Å |
| 824 | N | 83.9 | Confident | 86.5 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.4 | 173.9 | 63.1 | -6.2 | 0 | 0 | 0 | 113.5 | Q822 D934 | Q822-N824 VanDerWaalsContact CB-OD1 3.25Å; Q822-N824 WeakPolarHBondContact CB-OD1 3.27Å; Q822-N824 PolarHBondContact O-N 3.48Å; N824-D934 VanDerWaalsContact ND2-CG 3.25Å; N824-D934 PolarHBondContact ND2-OD1 3.47Å |
| 825 | Q | 86.4 | Confident | 87.2 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -108.2 | 153.6 | 179.1 | -68.2 | -179.6 | -4.2 | 0 | 0 | 111.3 | V821 Q822 | V821-Q825 HydrophobicContact CG1-CB 4.48Å; Q822-Q825 HydrophobicContact CB-CB 4.29Å; Q822-Q825 HydrophobicContact CB-CG 4.03Å; Q822-Q825 PolarHBondContact O-N 3.07Å |
| 826 | Q | 89.1 | Confident | 88 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 146.4 | 170.5 | -50.7 | -168.5 | -54.2 | 0 | 0 | 109.6 | L895 N896 | Q826-L895 WeakPolarHBondContact CA-O 3.12Å; Q826-N896 VanDerWaalsContact CG-OD1 3.25Å; Q826-N896 WeakPolarHBondContact CG-OD1 3.47Å; Q826-N896 PolarHBondContact NE2-OD1 3.22Å |
| 827 | L | 92.4 | Very high | 88.4 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.7 | 169.9 | 178.8 | 64.4 | 0 | 0 | 0 | 109.4 | P810 I819 V821 L829 L895 F897 V929 | P810-L827 HydrophobicContact CG-CD1 3.97Å; I819-L827 HydrophobicContact CG2-CD1 4.39Å; V821-L827 HydrophobicContact CG1-CB 4.47Å; V821-L827 HydrophobicContact CG2-CB 4.13Å; V821-L827 HydrophobicContact CG2-CD1 3.99Å; V821-L827 HydrophobicContact CG2-CD2 4.23Å; V821-L827 HydrophobicContact CG2-CG 4.34Å; L827-L829 PolarHBondContact O-N 3.3Å; L827-L895 HydrophobicContact CB-CB 4.42Å; L827-L895 PolarHBondContact N-O 3.28Å; L827-L895 PolarHBondContact O-N 3.4Å; L827-F897 HydrophobicContact CB-CD2 4.29Å; L827-F897 HydrophobicContact CB-CE2 3.81Å; L827-F897 HydrophobicContact CD2-CE2 3.84Å; L827-F897 HydrophobicContact CD2-CZ 4.44Å; L827-F897 HydrophobicContact CG-CE2 4.48Å; L827-V929 HydrophobicContact CD2-CG1 4.33Å; L827-V929 HydrophobicContact CD2-CG2 3.87Å |
| 828 | T | 93.9 | Very high | 88.2 | Confident | 65 Ų | 65 | 43 Ų | 43 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.3 | 166.4 | -50.3 | 0 | 0 | 0 | 0 | 109.6 | P810 Q892 F893 L894 | P810-T828 VanDerWaalsContact CD-O 3.3Å; P810-T828 WeakPolarHBondContact CD-O 3.15Å; T828-Q892 HydrophobicContact CG2-CB 4.45Å; T828-F893 CarbonylContact C-O 3.57Å; T828-F893 WeakPolarHBondContact CA-O 3.21Å; T828-L894 HydrophobicContact CG2-CD2 4.25Å; T828-L894 VanDerWaalsContact OG1-CD2 3.26Å; T828-L894 WeakPolarHBondContact OG1-CD2 3.22Å |
| 829 | L | 93.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 106.3 | 173.6 | -177.6 | 68.8 | 0 | 0 | 0 | 109.2 | L808 L827 V831 V854 Q892 F893 L895 V905 V907 | L808-L829 HydrophobicContact CB-CD1 4.33Å; L827-L829 PolarHBondContact O-N 3.3Å; L829-V831 HydrophobicContact CD2-CG2 4.22Å; L829-V831 HydrophobicContact CG-CG2 4.13Å; L829-V854 HydrophobicContact CD2-CG1 4.18Å; L829-Q892 WeakPolarHBondContact O-CA 3.36Å; L829-F893 HydrophobicContact CB-CB 4.42Å; L829-F893 PolarHBondContact N-O 2.99Å; L829-F893 PolarHBondContact O-N 3.33Å; L829-L895 HydrophobicContact CB-CD1 4.21Å; L829-L895 HydrophobicContact CD2-CD1 4.07Å; L829-V905 HydrophobicContact CD2-CG1 4.08Å; L829-V907 HydrophobicContact CD2-CG2 3.8Å |
| 830 | K | 91.3 | Very high | 86.6 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.7 | 169.2 | -170 | -171.7 | -173.3 | -161.2 | 0 | 109.1 | S809 E832 S890 T891 Q892 | S809-K830 PolarHBondContact N-O 3.39Å; S809-K830 PolarHBondContact O-N 3.35Å; K830-E832 HydrophobicContact CD-CG 4.13Å; K830-E832 WeakPolarHBondContact CE-OE1 2.98Å; K830-E832 HydrophobicContact CG-CG 4.18Å; K830-E832 VanDerWaalsContact NZ-CD 3.3Å; K830-E832 IonicContact NZ-OE1 3.65Å; K830-E832 PolarHBondContact NZ-OE1 2.87Å; K830-E832 IonicContact NZ-OE2 2.72Å; K830-S890 WeakPolarHBondContact CE-OG 3.31Å; K830-T891 WeakPolarHBondContact CA-O 3.31Å; K830-Q892 HydrophobicContact CB-CG 4.16Å; K830-Q892 HydrophobicContact CG-CG 4Å |
| 831 | V | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117.5 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 108 | L806 L808 L829 L852 S890 T891 F893 V907 | L806-V831 HydrophobicContact CD2-CG1 4.22Å; L808-V831 HydrophobicContact CD2-CB 4.19Å; L808-V831 HydrophobicContact CD2-CG1 3.9Å; L808-V831 HydrophobicContact CD2-CG2 3.73Å; L829-V831 HydrophobicContact CD2-CG2 4.22Å; L829-V831 HydrophobicContact CG-CG2 4.13Å; V831-L852 HydrophobicContact CB-CD1 4.33Å; V831-L852 HydrophobicContact CG1-CD1 3.92Å; V831-L852 HydrophobicContact CG1-CD2 4.2Å; V831-S890 CarbonylContact O-C 3.46Å; V831-S890 WeakPolarHBondContact O-CA 3.4Å; V831-T891 HydrophobicContact CB-CG2 4.38Å; V831-T891 PolarHBondContact N-O 3.46Å; V831-T891 PolarHBondContact O-N 2.93Å; V831-F893 HydrophobicContact CB-CD2 4.41Å; V831-F893 HydrophobicContact CB-CE2 4.07Å; V831-F893 HydrophobicContact CG2-CD2 3.63Å; V831-F893 HydrophobicContact CG2-CE2 3.61Å; V831-V907 HydrophobicContact CG1-CG1 4.02Å; V831-V907 HydrophobicContact CG2-CG1 4.13Å |
| 832 | E | 87.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 144.1 | 175.5 | -62 | -177 | 112.9 | 0 | 0 | 108.7 | L806 A807 K830 Y888 F889 | L806-E832 CarbonylContact C-O 3.6Å; L806-E832 WeakPolarHBondContact CA-O 3.13Å; A807-E832 HydrophobicContact CB-CB 4.49Å; A807-E832 PolarHBondContact N-O 2.79Å; A807-E832 PolarHBondContact O-N 3.24Å; K830-E832 HydrophobicContact CD-CG 4.13Å; K830-E832 WeakPolarHBondContact CE-OE1 2.98Å; K830-E832 HydrophobicContact CG-CG 4.18Å; K830-E832 VanDerWaalsContact NZ-CD 3.3Å; K830-E832 IonicContact NZ-OE1 3.65Å; K830-E832 PolarHBondContact NZ-OE1 2.87Å; K830-E832 IonicContact NZ-OE2 2.72Å; E832-Y888 HydrophobicContact CB-CE2 4.11Å; E832-Y888 PolarHBondContact OE1-OH 3.37Å; E832-F889 WeakPolarHBondContact CA-O 3.27Å |
| 833 | G | 88.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K805 Y888 F889 | K805-G833 VanDerWaalsContact O-CA 3.26Å; K805-G833 WeakPolarHBondContact O-CA 3.39Å; G833-Y888 WeakPolarHBondContact O-CA 3.26Å; G833-Y888 VanDerWaalsContact O-CD2 3.22Å; G833-Y888 WeakPolarHBondContact O-CD2 3.5Å; G833-F889 VanDerWaalsContact CA-CZ 3.45Å; G833-F889 PolarHBondContact N-O 3.47Å; G833-F889 PolarHBondContact O-N 3.44Å |
| 834 | V | 86.8 | Confident | 86 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.1 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | P56 I804 K805 Q836 D887 Y888 | P56-V834 HydrophobicContact CB-CG1 4.05Å; P56-V834 HydrophobicContact CG-CB 4.47Å; P56-V834 HydrophobicContact CG-CG1 3.78Å; P56-V834 WeakPolarHBondContact O-CG2 3.47Å; I804-V834 WeakPolarHBondContact CA-O 3.47Å; K805-V834 PolarHBondContact N-O 3.35Å; K805-V834 PolarHBondContact O-N 3.23Å; V834-Q836 HydrophobicContact CG1-CG 4.42Å; V834-D887 CarbonylContact C-O 3.57Å; V834-D887 VanDerWaalsContact CA-O 3.26Å; V834-D887 WeakPolarHBondContact CA-O 3.46Å; V834-D887 WeakPolarHBondContact CG1-O 3.31Å; V834-Y888 HydrophobicContact CG2-CD2 4.07Å |
| 835 | V | 88.8 | Confident | 86.4 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.7 | 169.4 | -174.6 | 0 | 0 | 0 | 0 | 108 | T802 I804 H837 I847 D887 F889 | T802-V835 HydrophobicContact CG2-CG1 4.2Å; I804-V835 HydrophobicContact CG1-CG2 4.38Å; V835-H837 WeakPolarHBondContact CG1-CE1 3.5Å; V835-H837 WeakPolarHBondContact CG1-NE2 3.35Å; V835-I847 HydrophobicContact CG1-CD1 3.51Å; V835-I847 HydrophobicContact CG2-CD1 4.35Å; V835-D887 PolarHBondContact N-O 3.12Å; V835-F889 HydrophobicContact CG2-CE1 4.32Å |
| 836 | Q | 84.3 | Confident | 86.7 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.3 | 176 | -64.5 | 179.6 | -48 | 0 | 0 | 108.6 | T802 S803 V834 | T802-Q836 WeakPolarHBondContact CA-O 3.33Å; S803-Q836 PolarHBondContact N-O 2.93Å; S803-Q836 PolarHBondContact O-N 3.31Å; S803-Q836 PolarHBondContact OG-OE1 3.21Å; V834-Q836 HydrophobicContact CG1-CG 4.42Å |
| 837 | H | 83.3 | Confident | 86.8 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.7 | 177.7 | -60.4 | -66.7 | 0 | 0 | 0 | 110.2 | S801 V835 P841 D887 | S801-H837 CarbonylContact O-C 3.12Å; S801-H837 WeakPolarHBondContact O-CA 3.28Å; V835-H837 WeakPolarHBondContact CG1-CE1 3.5Å; V835-H837 WeakPolarHBondContact CG1-NE2 3.35Å; H837-P841 HydrophobicContact CB-CB 3.82Å; H837-P841 HydrophobicContact CB-CG 4.48Å; H837-D887 IonicContact CD2-OD1 2.83Å; H837-D887 IonicContact NE2-OD1 3.91Å |
| 838 | G | 79.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 38% | 0.381 | 27% | 0.274 | S | S | . | . | trans | -68.5 | -156.6 | 165 | 0 | 0 | 0 | 0 | 0 | 112.2 | S801 T840 | S801-G838 PolarHBondContact O-N 3.5Å; G838-T840 VanDerWaalsContact C-N 3.33Å; G838-T840 PolarHBondContact O-N 3.09Å | ||
| 839 | S | 71.3 | Confident | 86.9 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 80% | 0.804 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -63.3 | -32.6 | -174.6 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 840 | T | 74.8 | Confident | 87 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -129.8 | 88.6 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | G838 | G838-T840 VanDerWaalsContact C-N 3.33Å; G838-T840 PolarHBondContact O-N 3.09Å |
| 841 | P | 79.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 141.9 | 173 | 23.7 | -31.4 | 0 | 0 | 0 | 111.1 | H837 L843 | H837-P841 HydrophobicContact CB-CB 3.82Å; H837-P841 HydrophobicContact CB-CG 4.48Å; P841-L843 PolarHBondContact O-N 3.39Å |
| 842 | G | 81.1 | Confident | 87.5 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 25.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R845 | G842-R845 WeakPolarHBondContact CA-O 3.26Š|
| 843 | L | 89.5 | Confident | 87.8 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 45% | 0.445 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -64.8 | -47.1 | 179.6 | 180 | 64.2 | 0 | 0 | 0 | 112.1 | L799 P841 | L799-L843 HydrophobicContact CB-CD2 3.65Å; L799-L843 HydrophobicContact CD1-CD2 4.23Å; P841-L843 PolarHBondContact O-N 3.39Å |
| 844 | F | 90.7 | Very high | 88.1 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -109 | -45.7 | 176.9 | -58.3 | -56.8 | 0 | 0 | 0 | 111.7 | D696 L799 Q800 | D696-F844 HydrophobicContact CB-CE1 4.02Å; D696-F844 HydrophobicContact CB-CE2 4.1Å; D696-F844 HydrophobicContact CB-CZ 3.76Å; L799-F844 HydrophobicContact CB-CE2 3.99Å; L799-F844 HydrophobicContact CB-CZ 4.24Å; L799-F844 HydrophobicContact CD1-CE2 4.3Å; L799-F844 HydrophobicContact CD1-CZ 3.73Å; L799-F844 HydrophobicContact CG-CZ 4.49Å; Q800-F844 HydrophobicContact CB-CD2 4.03Å; Q800-F844 HydrophobicContact CB-CE2 4.44Å |
| 845 | R | 92.2 | Very high | 88.5 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 15% | 0.151 | 26% | 0.26 | C | S | . | . | trans | -141.7 | 147.6 | -178.2 | -79.8 | 173.2 | -68.2 | -76.6 | -6.5 | 111.1 | F693 A695 Q800 G842 D913 | F693-R845 HydrophobicContact CE2-CB 3.87Å; F693-R845 HydrophobicContact CZ-CB 3.88Å; F693-R845 PolarHBondContact O-NE 3.47Å; F693-R845 VanDerWaalsContact O-NE 3.13Å; F693-R845 PolarHBondContact O-NH2 3.05Å; A695-R845 PolarHBondContact O-NH2 2.93Å; Q800-R845 PolarHBondContact NE2-O 3.08Å; G842-R845 WeakPolarHBondContact CA-O 3.26Å; R845-D913 WeakPolarHBondContact CD-OD2 3.32Å | ||
| 846 | K | 91.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 46 Ų | 46 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | trans | -112.9 | 148.4 | 175.8 | -70.8 | 173.9 | 177.1 | 177.4 | 0 | 110.1 | D913 E914 | K846-D913 VanDerWaalsContact O-CA 3.27Å; K846-D913 WeakPolarHBondContact O-CA 3.47Å; K846-D913 WeakPolarHBondContact O-CB 3.37Å; K846-E914 HydrophobicContact CB-CG 4.14Å; K846-E914 VanDerWaalsContact CD-OE1 3.22Å; K846-E914 WeakPolarHBondContact CD-OE1 3.3Å | ||
| 847 | I | 92.4 | Very high | 88.9 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.8 | 175.3 | -64.1 | 169.7 | 0 | 0 | 0 | 107.9 | F693 T802 V835 S849 V850 P884 V911 | F693-I847 HydrophobicContact CE1-CG1 4.22Å; F693-I847 HydrophobicContact CZ-CG1 3.81Å; T802-I847 HydrophobicContact CG2-CD1 3.52Å; V835-I847 HydrophobicContact CG1-CD1 3.51Å; V835-I847 HydrophobicContact CG2-CD1 4.35Å; I847-S849 WeakPolarHBondContact CG2-O 3.49Å; I847-V850 HydrophobicContact CG2-CG2 4.32Å; I847-P884 HydrophobicContact CG2-CG 4.25Å; I847-V911 HydrophobicContact CD1-CB 4.31Å; I847-V911 HydrophobicContact CD1-CG1 3.8Å; I847-V911 HydrophobicContact CG1-CB 4.11Å; I847-V911 HydrophobicContact CG1-CG1 4.15Å; I847-V911 HydrophobicContact CG2-CB 4.43Å; I847-V911 HydrophobicContact CG2-CG1 4.47Å |
| 848 | Q | 93.8 | Very high | 89.1 | Confident | 91 Ų | 91 | 43 Ų | 43 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -44.7 | 170.6 | -176.6 | -177.1 | 24.3 | 0 | 0 | 110.7 | V912 D913 | Q848-V912 PolarHBondContact N-O 3.27Å; Q848-D913 PolarHBondContact OE1-O 2.94Å |
| 849 | S | 94.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 163.6 | 179.2 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | I847 R881 V882 V912 | I847-S849 WeakPolarHBondContact CG2-O 3.49Å; S849-R881 WeakPolarHBondContact OG-CD 3.28Å; S849-R881 WeakPolarHBondContact OG-CG 3.31Å; S849-V882 CarbonylContact C-O 3.51Å; S849-V882 WeakPolarHBondContact CA-O 3.5Å; S849-V882 WeakPolarHBondContact CB-O 3.45Å; S849-V912 PolarHBondContact N-O 2.9Å; S849-V912 PolarHBondContact O-N 2.98Å; S849-V912 WeakPolarHBondContact OG-CB 3.37Å |
| 850 | V | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.7 | 172.3 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | I804 I847 L852 R881 V882 F889 A909 S910 | I804-V850 HydrophobicContact CD1-CG1 4.04Å; I804-V850 HydrophobicContact CD1-CG2 4.12Å; I847-V850 HydrophobicContact CG2-CG2 4.32Å; V850-L852 HydrophobicContact CG1-CD2 4.13Å; V850-L852 HydrophobicContact CG1-CG 4.31Å; V850-R881 WeakPolarHBondContact O-CA 3.38Å; V850-V882 HydrophobicContact CB-CG1 4.13Å; V850-V882 PolarHBondContact N-O 3.21Å; V850-V882 WeakPolarHBondContact O-CG1 3.25Å; V850-V882 PolarHBondContact O-N 3.04Å; V850-F889 HydrophobicContact CB-CD1 4.43Å; V850-F889 HydrophobicContact CB-CE1 4.21Å; V850-F889 HydrophobicContact CB-CZ 4.27Å; V850-F889 HydrophobicContact CG1-CE1 4.1Å; V850-F889 HydrophobicContact CG1-CE2 4.17Å; V850-F889 HydrophobicContact CG1-CZ 3.75Å; V850-F889 HydrophobicContact CG2-CD1 3.96Å; V850-F889 HydrophobicContact CG2-CE1 3.75Å; V850-F889 HydrophobicContact CG2-CZ 4.28Å; V850-A909 HydrophobicContact CG1-CB 4.19Å; V850-S910 CarbonylContact C-O 3.53Å; V850-S910 WeakPolarHBondContact CA-O 3.39Å; V850-S910 WeakPolarHBondContact CG1-O 3.45Å |
| 851 | C | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.1 | 169.6 | -150.8 | 0 | 0 | 0 | 0 | 109.4 | E879 A909 S910 | C851-E879 WeakPolarHBondContact SG-CG 3.46Å; C851-E879 PolarHBondContact SG-OE1 3.39Å; C851-A909 CarbonylContact O-C 3.51Å; C851-A909 WeakPolarHBondContact O-CA 3.34Å; C851-S910 VanDerWaalsContact CB-OG 3.27Å; C851-S910 WeakPolarHBondContact CB-OG 3.39Å; C851-S910 PolarHBondContact N-O 3.37Å; C851-S910 PolarHBondContact O-N 3.17Å; C851-S910 PolarHBondContact O-OG 3.03Å |
| 852 | L | 95.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.8 | -179.3 | -67.9 | 171.6 | 0 | 0 | 0 | 108.7 | L806 V831 V850 E879 Q880 V882 F889 T891 F893 E908 A909 | L806-L852 HydrophobicContact CD2-CD2 4.24Å; V831-L852 HydrophobicContact CB-CD1 4.33Å; V831-L852 HydrophobicContact CG1-CD1 3.92Å; V831-L852 HydrophobicContact CG1-CD2 4.2Å; V850-L852 HydrophobicContact CG1-CD2 4.13Å; V850-L852 HydrophobicContact CG1-CG 4.31Å; L852-E879 WeakPolarHBondContact O-CA 3.42Å; L852-Q880 PolarHBondContact N-O 2.72Å; L852-Q880 PolarHBondContact O-N 3.03Å; L852-V882 HydrophobicContact CD1-CG1 4.18Å; L852-F889 HydrophobicContact CD1-CD2 4.15Å; L852-F889 HydrophobicContact CD1-CE2 3.84Å; L852-F889 HydrophobicContact CD2-CE2 4.01Å; L852-F889 HydrophobicContact CD2-CZ 4.48Å; L852-F889 HydrophobicContact CG-CE2 4.3Å; L852-T891 HydrophobicContact CD1-CG2 3.48Å; L852-T891 VanDerWaalsContact CD1-CG2 3.48Å; L852-F893 HydrophobicContact CB-CE2 4.29Å; L852-F893 HydrophobicContact CB-CZ 3.76Å; L852-F893 HydrophobicContact CD1-CE2 4.35Å; L852-F893 HydrophobicContact CD1-CZ 4.44Å; L852-E908 WeakPolarHBondContact CA-O 3.39Å; L852-A909 HydrophobicContact CD2-CB 3.77Å |
| 853 | N | 94.8 | Very high | 85.4 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.7 | 178 | -69.5 | -35.4 | 0 | 0 | 0 | 109.2 | E879 V907 E908 | N853-E879 WeakPolarHBondContact OD1-CB 3.48Å; N853-E879 WeakPolarHBondContact OD1-CG 3.31Å; N853-V907 CarbonylContact O-C 3.46Å; N853-V907 WeakPolarHBondContact O-CA 3.31Å; N853-E908 HydrophobicContact CB-CB 4.32Å; N853-E908 PolarHBondContact N-O 2.9Å; N853-E908 PolarHBondContact O-N 3Å |
| 854 | V | 95.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.1 | 176.4 | -175 | 0 | 0 | 0 | 0 | 109.3 | L829 E877 I878 F893 L895 V905 N906 V907 | L829-V854 HydrophobicContact CD2-CG1 4.18Å; V854-E877 WeakPolarHBondContact O-CA 3.26Å; V854-I878 PolarHBondContact N-O 3.4Å; V854-I878 PolarHBondContact O-N 3.13Å; V854-F893 HydrophobicContact CB-CD1 4.18Å; V854-F893 HydrophobicContact CB-CE1 4.37Å; V854-F893 HydrophobicContact CB-CG 4.34Å; V854-F893 HydrophobicContact CG2-CD1 3.76Å; V854-F893 HydrophobicContact CG2-CD2 3.62Å; V854-F893 HydrophobicContact CG2-CE1 3.72Å; V854-F893 HydrophobicContact CG2-CE2 3.56Å; V854-F893 HydrophobicContact CG2-CG 3.7Å; V854-F893 HydrophobicContact CG2-CZ 3.63Å; V854-L895 HydrophobicContact CG1-CD1 4.12Å; V854-L895 HydrophobicContact CG1-CD2 3.83Å; V854-V905 HydrophobicContact CG1-CG1 3.7Å; V854-N906 CarbonylContact C-O 3.59Å; V854-N906 VanDerWaalsContact CA-O 3.29Å; V854-N906 WeakPolarHBondContact CA-O 3.49Å; V854-V907 HydrophobicContact CG1-CG2 4.36Å; V854-V907 HydrophobicContact CG2-CG1 4.2Å; V854-V907 HydrophobicContact CG2-CG2 4.09Å |
| 855 | S | 94.1 | Very high | 80.8 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 155.9 | 176 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | N876 V905 N906 | S855-N876 CarbonylContact C-O 3.46Å; S855-N876 WeakPolarHBondContact CA-O 3.29Å; S855-V905 CarbonylContact O-C 3.6Å; S855-V905 VanDerWaalsContact O-CA 3.3Å; S855-V905 WeakPolarHBondContact O-CA 3.31Å; S855-N906 PolarHBondContact N-O 3.44Å; S855-N906 PolarHBondContact O-N 3.01Å |
| 856 | S | 91.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.6 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | N874 T875 N876 M904 | S856-N874 CarbonylContact O-C 3.58Å; S856-N874 WeakPolarHBondContact O-CA 3.27Å; S856-T875 PolarHBondContact O-N 3.48Å; S856-T875 PolarHBondContact O-OG1 3.49Å; S856-T875 PolarHBondContact OG-OG1 3.46Å; S856-N876 PolarHBondContact N-O 2.84Å; S856-N876 VanDerWaalsContact OG-CB 3.28Å; S856-N876 WeakPolarHBondContact OG-CB 3.42Å; S856-N876 PolarHBondContact OG-N 3.28Å; S856-N876 PolarHBondContact OG-ND2 2.84Å; S856-M904 CarbonylContact C-O 3.6Å; S856-M904 WeakPolarHBondContact CA-O 3.48Å |
| 857 | T | 90.8 | Very high | 75.8 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.9 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | N874 H903 M904 | T857-N874 WeakPolarHBondContact CG2-OD1 3.38Å; T857-H903 CarbonylContact O-C 3.59Å; T857-H903 VanDerWaalsContact O-CA 3.27Å; T857-H903 WeakPolarHBondContact O-CA 3.5Å; T857-M904 PolarHBondContact N-O 3.14Å; T857-M904 PolarHBondContact O-N 2.85Å |
| 858 | L | 87 | Confident | 73.4 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.1 | 175.9 | -179.4 | 72.3 | 0 | 0 | 0 | 110.2 | K861 I899 | L858-K861 HydrophobicContact CD2-CG 4.18Å; L858-I899 HydrophobicContact CD1-CG2 4.32Å; L858-I899 HydrophobicContact CD2-CG2 3.97Å |
| 859 | Q | 81.3 | Confident | 71.3 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -35.1 | -180 | -75.8 | -161.6 | -27.3 | 0 | 0 | 114.5 | S902 M904 | Q859-S902 PolarHBondContact N-O 3.39Å; Q859-M904 HydrophobicContact CG-CB 4.42Å; Q859-M904 HydrophobicContact CG-CG 3.6Å |
| 860 | S | 68.9 | Low | 69.1 | Low | 62 Ų | 62 | 76 Ų | 76 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 140.5 | 177.5 | 65 | 0 | 0 | 0 | 0 | 113.4 | G901 S902 | S860-G901 WeakPolarHBondContact O-CA 3.34Å; S860-S902 PolarHBondContact O-N 2.89Å |
| 861 | K | 60.2 | Low | 67.1 | Low | 112 Ų | 112 | 82.5 Ų | 82.5 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | trans | -85.9 | 127.3 | 168.7 | -70.7 | -177.2 | 179.3 | 179.9 | 0 | 109.2 | L858 Y867 | L858-K861 HydrophobicContact CD2-CG 4.18Å; K861-Y867 PolarHBondContact NZ-O 3.42Å | ||
| 862 | T | 47.4 | Very low | 65 | Low | 104 Ų | 104 | 89.7 Ų | 89.7 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | trans | -93.2 | 100.1 | 168 | 27.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 863 | G | 51 | Low | 63.4 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 84% | 0.835 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 79.7 | 103.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 864 | G | 43.2 | Very low | 62.4 | Low | 66 Ų | 66 | 93.8 Ų | 93.8 | 68% | 0.68 | 53% | 0.525 | S | S | * | . | trans | 159.7 | 146.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 865 | P | 40 | Very low | 61.5 | Low | 117 Ų | 117 | 95.8 Ų | 95.8 | 76% | 0.76 | 54% | 0.538 | S | S | * | . | trans | -65.1 | 150.9 | -169.2 | 28 | -33.2 | 0 | 0 | 0 | 112.6 | Y867 | P865-Y867 PolarHBondContact O-N 3.17Š| ||
| 866 | E | 37.3 | Very low | 61.1 | Low | 192 Ų | 192 | 95.3 Ų | 95.3 | 90% | 0.897 | 53% | 0.533 | S | S | * | . | trans | -55 | 85.9 | -170.7 | -62.8 | 179.6 | 152.7 | 0 | 0 | 114.5 | ||||
| 867 | Y | 41.4 | Very low | 61.1 | Low | 196 Ų | 196 | 102 Ų | 102 | 77% | 0.769 | 56% | 0.564 | S | S | * | * | trans | -99.6 | 110 | 151.9 | -78.7 | -85.8 | 0 | 0 | 0 | 108.6 | K861 P865 I869 | K861-Y867 PolarHBondContact NZ-O 3.42Å; P865-Y867 PolarHBondContact O-N 3.17Å; Y867-I869 PolarHBondContact O-N 3.13Å | ||
| 868 | K | 41 | Very low | 61.3 | Low | 212 Ų | 212 | 102.9 Ų | 102.9 | 92% | 0.922 | 57% | 0.567 | S | S | * | * | trans | -63.6 | 89 | 175.7 | -71.6 | 179.9 | 177.9 | 178.5 | 0 | 109.8 | ||||
| 869 | I | 49.6 | Very low | 61.6 | Low | 96 Ų | 96 | 107 Ų | 107 | 49% | 0.492 | 59% | 0.585 | S | S | . | * | trans | -82.5 | 130.2 | 156.2 | -56.1 | 175 | 0 | 0 | 0 | 104.9 | Y867 L871 | Y867-I869 PolarHBondContact O-N 3.13Å; I869-L871 PolarHBondContact O-N 3.33Å | ||
| 870 | P | 48.6 | Very low | 62.3 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | trans | -52.6 | 127.5 | 177.5 | -21.9 | 31.6 | 0 | 0 | 0 | 109.9 | D872 | P870-D872 PolarHBondContact O-N 3.15Å; P870-D872 VanDerWaalsContact O-N 3.12Å | ||
| 871 | L | 53.5 | Low | 63.5 | Low | 136 Ų | 136 | 108 Ų | 108 | 71% | 0.712 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -8.2 | -178.2 | -91.8 | 106.6 | 0 | 0 | 0 | 113.6 | I869 | I869-L871 PolarHBondContact O-N 3.33Š|
| 872 | D | 52.6 | Low | 65.1 | Low | 150 Ų | 150 | 103.8 Ų | 103.8 | 80% | 0.802 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 5.4 | -169.3 | -61.9 | -34.5 | 0 | 0 | 0 | 114.9 | P870 N874 | P870-D872 PolarHBondContact O-N 3.15Å; P870-D872 VanDerWaalsContact O-N 3.12Å; D872-N874 PolarHBondContact O-N 2.94Å |
| 873 | S | 62.7 | Low | 67.3 | Low | 68 Ų | 68 | 105.6 Ų | 105.6 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | trans | -80.6 | 110.4 | 177.3 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | T875 | S873-T875 PolarHBondContact O-N 3.34Š| ||
| 874 | N | 71.9 | Confident | 69.1 | Low | 66 Ų | 66 | 103 Ų | 103 | 35% | 0.353 | 53% | 0.531 | S | S | . | . | trans | -57.3 | 123.2 | 171.3 | -73.2 | -26.1 | 0 | 0 | 0 | 109.9 | S856 T857 D872 E877 | S856-N874 CarbonylContact O-C 3.58Å; S856-N874 WeakPolarHBondContact O-CA 3.27Å; T857-N874 WeakPolarHBondContact CG2-OD1 3.38Å; D872-N874 PolarHBondContact O-N 2.94Å; N874-E877 HydrophobicContact CB-CG 3.68Å; N874-E877 WeakPolarHBondContact CB-OE1 3.49Å; N874-E877 PolarHBondContact ND2-OE1 3.29Å | ||
| 875 | T | 77.3 | Confident | 71 | Confident | 44 Ų | 44 | 105.6 Ų | 105.6 | 27% | 0.27 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -80.6 | -22.6 | -177.5 | 31.3 | 0 | 0 | 0 | 0 | 113.2 | S856 S873 I899 | S856-T875 PolarHBondContact O-N 3.48Å; S856-T875 PolarHBondContact O-OG1 3.49Å; S856-T875 PolarHBondContact OG-OG1 3.46Å; S873-T875 PolarHBondContact O-N 3.34Å; T875-I899 HydrophobicContact CG2-CD1 4.04Å |
| 876 | N | 85.6 | Confident | 72.9 | Confident | 14 Ų | 14 | 104.1 Ų | 104.1 | 8% | 0.075 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.9 | 173.8 | -60.5 | -83.3 | 0 | 0 | 0 | 106.8 | S855 S856 L895 N896 | S855-N876 CarbonylContact C-O 3.46Å; S855-N876 WeakPolarHBondContact CA-O 3.29Å; S856-N876 PolarHBondContact N-O 2.84Å; S856-N876 VanDerWaalsContact OG-CB 3.28Å; S856-N876 WeakPolarHBondContact OG-CB 3.42Å; S856-N876 PolarHBondContact OG-N 3.28Å; S856-N876 PolarHBondContact OG-ND2 2.84Å; N876-L895 HydrophobicContact CB-CD2 3.97Å; N876-N896 PolarHBondContact ND2-O 3.26Å; N876-N896 PolarHBondContact OD1-N 3.06Å; N876-N896 PolarHBondContact OD1-O 3.16Å |
| 877 | E | 91.6 | Very high | 75.2 | Confident | 140 Ų | 140 | 96.9 Ų | 96.9 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 111.2 | 168.6 | -71.1 | -173.7 | 163.7 | 0 | 0 | 107.2 | V854 N874 | V854-E877 WeakPolarHBondContact O-CA 3.26Å; N874-E877 HydrophobicContact CB-CG 3.68Å; N874-E877 WeakPolarHBondContact CB-OE1 3.49Å; N874-E877 PolarHBondContact ND2-OE1 3.29Å |
| 878 | I | 94.8 | Very high | 77.4 | Confident | 61 Ų | 61 | 89 Ų | 89 | 31% | 0.313 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 123.8 | -179.8 | -50.1 | 176 | 0 | 0 | 0 | 107.9 | V854 F893 L894 L895 | V854-I878 PolarHBondContact N-O 3.4Å; V854-I878 PolarHBondContact O-N 3.13Å; I878-F893 HydrophobicContact CB-CD1 3.91Å; I878-F893 HydrophobicContact CB-CE1 4.28Å; I878-F893 HydrophobicContact CG2-CD1 3.67Å; I878-F893 HydrophobicContact CG2-CE1 3.91Å; I878-L894 WeakPolarHBondContact CD1-O 3.17Å; I878-L895 HydrophobicContact CD1-CD2 4.04Å |
| 879 | E | 94.2 | Very high | 79.7 | Confident | 121 Ų | 121 | 79.1 Ų | 79.1 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.9 | 172.6 | 176.5 | 176.3 | 168.1 | 0 | 0 | 109.1 | C851 L852 N853 | C851-E879 WeakPolarHBondContact SG-CG 3.46Å; C851-E879 PolarHBondContact SG-OE1 3.39Å; L852-E879 WeakPolarHBondContact O-CA 3.42Å; N853-E879 WeakPolarHBondContact OD1-CB 3.48Å; N853-E879 WeakPolarHBondContact OD1-CG 3.31Å |
| 880 | Q | 95.1 | Very high | 81.5 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 34% | 0.341 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 131.8 | 171.6 | -165.6 | 177.4 | 7 | 0 | 0 | 111.8 | L852 T891 F893 | L852-Q880 PolarHBondContact N-O 2.72Å; L852-Q880 PolarHBondContact O-N 3.03Å; Q880-T891 PolarHBondContact NE2-OG1 3.31Å; Q880-T891 VanDerWaalsContact NE2-OG1 3.07Å; Q880-T891 PolarHBondContact OE1-OG1 2.91Å; Q880-F893 HydrophobicContact CB-CE1 3.82Å; Q880-F893 HydrophobicContact CB-CZ 3.94Å |
| 881 | R | 94.8 | Very high | 83.6 | Confident | 121 Ų | 121 | 72.6 Ų | 72.6 | 46% | 0.457 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.1 | 173.5 | -171.3 | 172.8 | -67 | -130.7 | -2.8 | 110.6 | S849 V850 | S849-R881 WeakPolarHBondContact OG-CD 3.28Å; S849-R881 WeakPolarHBondContact OG-CG 3.31Å; V850-R881 WeakPolarHBondContact O-CA 3.38Å |
| 882 | V | 94.3 | Very high | 85.6 | Confident | 24 Ų | 24 | 72 Ų | 72 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.9 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | S849 V850 L852 F889 | S849-V882 CarbonylContact C-O 3.51Å; S849-V882 WeakPolarHBondContact CA-O 3.5Å; S849-V882 WeakPolarHBondContact CB-O 3.45Å; V850-V882 HydrophobicContact CB-CG1 4.13Å; V850-V882 PolarHBondContact N-O 3.21Å; V850-V882 WeakPolarHBondContact O-CG1 3.25Å; V850-V882 PolarHBondContact O-N 3.04Å; L852-V882 HydrophobicContact CD1-CG1 4.18Å; V882-F889 HydrophobicContact CG1-CB 3.82Å; V882-F889 HydrophobicContact CG1-CD2 3.63Å; V882-F889 HydrophobicContact CG1-CE2 4.41Å; V882-F889 HydrophobicContact CG1-CG 3.88Å; V882-F889 HydrophobicContact CG2-CB 3.86Å |
| 883 | E | 92.9 | Very high | 87.6 | Confident | 143 Ų | 143 | 65 Ų | 65 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 120 | 171.1 | -68.4 | -174.6 | 172.9 | 0 | 0 | 108.7 | H885 | E883-H885 PolarHBondContact O-N 3.22Š|
| 884 | P | 88.6 | Confident | 89.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 134.4 | 175.7 | 28.5 | -32.6 | 0 | 0 | 0 | 109.6 | I847 Y888 F889 | I847-P884 HydrophobicContact CG2-CG 4.25Å; P884-Y888 CarbonylContact C-O 3.58Å; P884-Y888 WeakPolarHBondContact CA-O 3.43Å; P884-F889 HydrophobicContact CB-CB 4.36Å; P884-F889 HydrophobicContact CB-CD1 4.35Å |
| 885 | H | 82.3 | Confident | 90.1 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | B | Isolated β-bridge | trans | -91.8 | 117.1 | 169.4 | -161 | -79.3 | 0 | 0 | 0 | 107.9 | E95 E883 D887 Y888 | E95-H885 IonicContact OE1-CE1 3.6Å; E95-H885 PolarHBondContact OE1-CE1 3.24Å; E95-H885 IonicContact OE1-ND1 2.8Å; E95-H885 PolarHBondContact OE1-ND1 2.67Å; E95-H885 VanDerWaalsContact OE1-ND1 3.12Å; E95-H885 IonicContact OE2-CE1 3.11Å; E95-H885 PolarHBondContact OE2-CE1 3.34Å; E95-H885 IonicContact OE2-CG 2.59Å; E95-H885 IonicContact OE2-ND1 2.93Å; E95-H885 PolarHBondContact OE2-ND1 2.63Å; E883-H885 PolarHBondContact O-N 3.22Å; H885-D887 PolarHBondContact O-N 3.38Å; H885-D887 VanDerWaalsContact O-N 3.08Å; H885-Y888 PolarHBondContact N-O 3.49Å; H885-Y888 PolarHBondContact O-N 2.91Å; H885-Y888 VanDerWaalsContact O-N 3.09Å |
| 886 | N | 81 | Confident | 90.8 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -109.3 | -161.5 | -66.4 | -54.5 | 0 | 0 | 0 | 111.4 | E95 | E95-N886 PolarHBondContact OE1-ND2 3.38Å; E95-N886 PolarHBondContact OE2-ND2 3.28Å |
| 887 | D | 85.4 | Confident | 91 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 11.4 | -176.8 | -63.7 | -25.4 | 0 | 0 | 0 | 112 | V834 V835 H837 H885 | V834-D887 CarbonylContact C-O 3.57Å; V834-D887 VanDerWaalsContact CA-O 3.26Å; V834-D887 WeakPolarHBondContact CA-O 3.46Å; V834-D887 WeakPolarHBondContact CG1-O 3.31Å; V835-D887 PolarHBondContact N-O 3.12Å; H837-D887 IonicContact CD2-OD1 2.83Å; H837-D887 IonicContact NE2-OD1 3.91Å; H885-D887 PolarHBondContact O-N 3.38Å; H885-D887 VanDerWaalsContact O-N 3.08Å |
| 888 | Y | 86.6 | Confident | 90.7 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145 | -172.6 | 169.2 | -98.5 | 0 | 0 | 0 | 113.4 | P58 K96 E832 G833 V834 P884 H885 S890 | P58-Y888 HydrophobicContact CG-CD2 3.95Å; P58-Y888 HydrophobicContact CG-CE2 3.2Å; K96-Y888 HydrophobicContact CG-CG 4.34Å; E832-Y888 HydrophobicContact CB-CE2 4.11Å; E832-Y888 PolarHBondContact OE1-OH 3.37Å; G833-Y888 WeakPolarHBondContact O-CA 3.26Å; G833-Y888 VanDerWaalsContact O-CD2 3.22Å; G833-Y888 WeakPolarHBondContact O-CD2 3.5Å; V834-Y888 HydrophobicContact CG2-CD2 4.07Å; P884-Y888 CarbonylContact C-O 3.58Å; P884-Y888 WeakPolarHBondContact CA-O 3.43Å; H885-Y888 PolarHBondContact N-O 3.49Å; H885-Y888 PolarHBondContact O-N 2.91Å; H885-Y888 VanDerWaalsContact O-N 3.09Å; Y888-S890 WeakPolarHBondContact OH-CB 3.13Å |
| 889 | F | 89.4 | Confident | 90.2 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.022 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 155.6 | 173.4 | 61.2 | -90.3 | 0 | 0 | 0 | 111 | I804 L806 E832 G833 V835 V850 L852 V882 P884 | I804-F889 HydrophobicContact CG2-CE1 4.13Å; I804-F889 HydrophobicContact CG2-CZ 3.9Å; L806-F889 HydrophobicContact CD2-CE2 3.94Å; L806-F889 HydrophobicContact CD2-CZ 3.69Å; E832-F889 WeakPolarHBondContact CA-O 3.27Å; G833-F889 VanDerWaalsContact CA-CZ 3.45Å; G833-F889 PolarHBondContact N-O 3.47Å; G833-F889 PolarHBondContact O-N 3.44Å; V835-F889 HydrophobicContact CG2-CE1 4.32Å; V850-F889 HydrophobicContact CB-CD1 4.43Å; V850-F889 HydrophobicContact CB-CE1 4.21Å; V850-F889 HydrophobicContact CB-CZ 4.27Å; V850-F889 HydrophobicContact CG1-CE1 4.1Å; V850-F889 HydrophobicContact CG1-CE2 4.17Å; V850-F889 HydrophobicContact CG1-CZ 3.75Å; V850-F889 HydrophobicContact CG2-CD1 3.96Å; V850-F889 HydrophobicContact CG2-CE1 3.75Å; V850-F889 HydrophobicContact CG2-CZ 4.28Å; L852-F889 HydrophobicContact CD1-CD2 4.15Å; L852-F889 HydrophobicContact CD1-CE2 3.84Å; L852-F889 HydrophobicContact CD2-CE2 4.01Å; L852-F889 HydrophobicContact CD2-CZ 4.48Å; L852-F889 HydrophobicContact CG-CE2 4.3Å; V882-F889 HydrophobicContact CG1-CB 3.82Å; V882-F889 HydrophobicContact CG1-CD2 3.63Å; V882-F889 HydrophobicContact CG1-CE2 4.41Å; V882-F889 HydrophobicContact CG1-CG 3.88Å; V882-F889 HydrophobicContact CG2-CB 3.86Å; P884-F889 HydrophobicContact CB-CB 4.36Å; P884-F889 HydrophobicContact CB-CD1 4.35Å |
| 890 | S | 88.2 | Confident | 89.8 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 137.8 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 109.8 | K830 V831 Y888 | K830-S890 WeakPolarHBondContact CE-OG 3.31Å; V831-S890 CarbonylContact O-C 3.46Å; V831-S890 WeakPolarHBondContact O-CA 3.4Å; Y888-S890 WeakPolarHBondContact OH-CB 3.13Å |
| 891 | T | 93.2 | Very high | 89.4 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 171.8 | 170.2 | -163.3 | 0 | 0 | 0 | 0 | 111.9 | K830 V831 L852 Q880 F893 | K830-T891 WeakPolarHBondContact CA-O 3.31Å; V831-T891 HydrophobicContact CB-CG2 4.38Å; V831-T891 PolarHBondContact N-O 3.46Å; V831-T891 PolarHBondContact O-N 2.93Å; L852-T891 HydrophobicContact CD1-CG2 3.48Å; L852-T891 VanDerWaalsContact CD1-CG2 3.48Å; Q880-T891 PolarHBondContact NE2-OG1 3.31Å; Q880-T891 VanDerWaalsContact NE2-OG1 3.07Å; Q880-T891 PolarHBondContact OE1-OG1 2.91Å; T891-F893 HydrophobicContact CG2-CD2 4.14Å; T891-F893 HydrophobicContact CG2-CE2 3.35Å; T891-F893 HydrophobicContact CG2-CZ 3.75Å |
| 892 | Q | 94.3 | Very high | 89.1 | Confident | 122 Ų | 122 | 50.2 Ų | 50.2 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.5 | 179.9 | -65.4 | -179.9 | 0.2 | 0 | 0 | 110.8 | T828 L829 K830 | T828-Q892 HydrophobicContact CG2-CB 4.45Å; L829-Q892 WeakPolarHBondContact O-CA 3.36Å; K830-Q892 HydrophobicContact CB-CG 4.16Å; K830-Q892 HydrophobicContact CG-CG 4Å |
| 893 | F | 95 | Very high | 88.9 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.5 | 174.4 | -61 | -90.4 | 0 | 0 | 0 | 109.7 | T828 L829 V831 L852 V854 I878 Q880 T891 L895 | T828-F893 CarbonylContact C-O 3.57Å; T828-F893 WeakPolarHBondContact CA-O 3.21Å; L829-F893 HydrophobicContact CB-CB 4.42Å; L829-F893 PolarHBondContact N-O 2.99Å; L829-F893 PolarHBondContact O-N 3.33Å; V831-F893 HydrophobicContact CB-CD2 4.41Å; V831-F893 HydrophobicContact CB-CE2 4.07Å; V831-F893 HydrophobicContact CG2-CD2 3.63Å; V831-F893 HydrophobicContact CG2-CE2 3.61Å; L852-F893 HydrophobicContact CB-CE2 4.29Å; L852-F893 HydrophobicContact CB-CZ 3.76Å; L852-F893 HydrophobicContact CD1-CE2 4.35Å; L852-F893 HydrophobicContact CD1-CZ 4.44Å; V854-F893 HydrophobicContact CB-CD1 4.18Å; V854-F893 HydrophobicContact CB-CE1 4.37Å; V854-F893 HydrophobicContact CB-CG 4.34Å; V854-F893 HydrophobicContact CG2-CD1 3.76Å; V854-F893 HydrophobicContact CG2-CD2 3.62Å; V854-F893 HydrophobicContact CG2-CE1 3.72Å; V854-F893 HydrophobicContact CG2-CE2 3.56Å; V854-F893 HydrophobicContact CG2-CG 3.7Å; V854-F893 HydrophobicContact CG2-CZ 3.63Å; I878-F893 HydrophobicContact CB-CD1 3.91Å; I878-F893 HydrophobicContact CB-CE1 4.28Å; I878-F893 HydrophobicContact CG2-CD1 3.67Å; I878-F893 HydrophobicContact CG2-CE1 3.91Å; Q880-F893 HydrophobicContact CB-CE1 3.82Å; Q880-F893 HydrophobicContact CB-CZ 3.94Å; T891-F893 HydrophobicContact CG2-CD2 4.14Å; T891-F893 HydrophobicContact CG2-CE2 3.35Å; T891-F893 HydrophobicContact CG2-CZ 3.75Å; F893-L895 HydrophobicContact CB-CD2 4.45Å |
| 894 | L | 94.6 | Very high | 88.8 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117 | 171.8 | -71.1 | 171.7 | 0 | 0 | 0 | 108.6 | T828 I878 | T828-L894 HydrophobicContact CG2-CD2 4.25Å; T828-L894 VanDerWaalsContact OG1-CD2 3.26Å; T828-L894 WeakPolarHBondContact OG1-CD2 3.22Å; I878-L894 WeakPolarHBondContact CD1-O 3.17Å |
| 895 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.7 | -175.3 | -55.4 | 177.1 | 0 | 0 | 0 | 110.9 | Q826 L827 L829 V854 N876 I878 F893 F897 V905 | Q826-L895 WeakPolarHBondContact CA-O 3.12Å; L827-L895 HydrophobicContact CB-CB 4.42Å; L827-L895 PolarHBondContact N-O 3.28Å; L827-L895 PolarHBondContact O-N 3.4Å; L829-L895 HydrophobicContact CB-CD1 4.21Å; L829-L895 HydrophobicContact CD2-CD1 4.07Å; V854-L895 HydrophobicContact CG1-CD1 4.12Å; V854-L895 HydrophobicContact CG1-CD2 3.83Å; N876-L895 HydrophobicContact CB-CD2 3.97Å; I878-L895 HydrophobicContact CD1-CD2 4.04Å; F893-L895 HydrophobicContact CB-CD2 4.45Å; L895-F897 HydrophobicContact CB-CE2 3.67Å; L895-F897 HydrophobicContact CB-CZ 3.87Å; L895-F897 HydrophobicContact CD1-CE2 4.47Å; L895-F897 HydrophobicContact CD1-CZ 4.14Å; L895-V905 HydrophobicContact CD1-CG1 3.67Å; L895-V905 HydrophobicContact CD1-CG2 4.01Å |
| 896 | N | 91.1 | Very high | 89.5 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.2 | 179.7 | -67.1 | -32.4 | 0 | 0 | 0 | 110.5 | Q826 N876 | Q826-N896 VanDerWaalsContact CG-OD1 3.25Å; Q826-N896 WeakPolarHBondContact CG-OD1 3.47Å; Q826-N896 PolarHBondContact NE2-OD1 3.22Å; N876-N896 PolarHBondContact ND2-O 3.26Å; N876-N896 PolarHBondContact OD1-N 3.06Å; N876-N896 PolarHBondContact OD1-O 3.16Å |
| 897 | F | 89.9 | Confident | 90.1 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | trans | -126.7 | 61 | 179.2 | -61.4 | -75.8 | 0 | 0 | 0 | 112 | V821 N823 L827 L895 I899 H903 V905 V929 S931 | V821-F897 HydrophobicContact CG1-CD2 4.31Å; N823-F897 WeakPolarHBondContact CA-O 3.36Å; L827-F897 HydrophobicContact CB-CD2 4.29Å; L827-F897 HydrophobicContact CB-CE2 3.81Å; L827-F897 HydrophobicContact CD2-CE2 3.84Å; L827-F897 HydrophobicContact CD2-CZ 4.44Å; L827-F897 HydrophobicContact CG-CE2 4.48Å; L895-F897 HydrophobicContact CB-CE2 3.67Å; L895-F897 HydrophobicContact CB-CZ 3.87Å; L895-F897 HydrophobicContact CD1-CE2 4.47Å; L895-F897 HydrophobicContact CD1-CZ 4.14Å; F897-I899 PolarHBondContact O-N 2.81Å; F897-H903 HydrophobicContact CD1-CB 3.9Å; F897-H903 AromaticContact CD1-CD2 3.79Å; F897-H903 AromaticContact CD1-CG 3.58Å; F897-H903 AromaticContact CD1-ND1 3.84Å; F897-H903 HydrophobicContact CE1-CB 3.74Å; F897-H903 AromaticContact CE1-CG 3.94Å; F897-V905 HydrophobicContact CE1-CG2 4.03Å; F897-V905 HydrophobicContact CZ-CG2 3.59Å; F897-V929 HydrophobicContact CD1-CG1 4.42Å; F897-V929 HydrophobicContact CD2-CG1 3.97Å; F897-V929 HydrophobicContact CE1-CB 4.33Å; F897-V929 HydrophobicContact CE1-CG1 4.23Å; F897-V929 HydrophobicContact CE2-CB 4.44Å; F897-V929 HydrophobicContact CE2-CG1 3.75Å; F897-V929 HydrophobicContact CE2-CG2 4.47Å; F897-V929 HydrophobicContact CG-CG1 4.3Å; F897-V929 HydrophobicContact CZ-CB 4.11Å; F897-V929 HydrophobicContact CZ-CG1 3.9Å; F897-V929 HydrophobicContact CZ-CG2 4.11Å; F897-S931 PolarHBondContact O-OG 2.99Å | ||
| 898 | S | 84.6 | Confident | 90.5 | Very high | 87 Ų | 87 | 36 Ų | 36 | 61% | 0.608 | 20% | 0.195 | S | C | * | . | trans | -65.6 | -23.8 | -178.1 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 899 | I | 85.1 | Confident | 90.9 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 30% | 0.303 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -91.8 | 124.6 | 179.3 | -56.6 | 173.9 | 0 | 0 | 0 | 109.7 | L858 T875 F897 H903 S931 | L858-I899 HydrophobicContact CD1-CG2 4.32Å; L858-I899 HydrophobicContact CD2-CG2 3.97Å; T875-I899 HydrophobicContact CG2-CD1 4.04Å; F897-I899 PolarHBondContact O-N 2.81Å; I899-H903 PolarHBondContact O-NE2 2.64Å; I899-S931 VanDerWaalsContact O-CB 3.23Å; I899-S931 WeakPolarHBondContact O-CB 3.43Å; I899-S931 PolarHBondContact O-OG 2.67Å |
| 900 | L | 85 | Confident | 91.2 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 30% | 0.298 | 19% | 0.192 | S | C | . | . | trans | -64.6 | 137.6 | 175.1 | -60.9 | 178.7 | 0 | 0 | 0 | 111.4 | N823 L932 E933 | N823-L900 HydrophobicContact CB-CD2 3.8Å; L900-L932 VanDerWaalsContact CD2-C 3.44Å; L900-E933 HydrophobicContact CD1-CB 4.1Å; L900-E933 HydrophobicContact CD1-CG 4.43Å; L900-E933 HydrophobicContact CD2-CB 4Å; L900-E933 VanDerWaalsContact CD2-N 3.33Å | ||
| 901 | G | 86.8 | Confident | 91.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | -171 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S860 S931 | S860-G901 WeakPolarHBondContact O-CA 3.34Å; G901-S931 PolarHBondContact N-O 2.9Å; G901-S931 PolarHBondContact O-N 3.15Å |
| 902 | S | 88.1 | Confident | 91.6 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.9 | 177.9 | -159.3 | 0 | 0 | 0 | 0 | 109.9 | Q859 S860 | Q859-S902 PolarHBondContact N-O 3.39Å; S860-S902 PolarHBondContact O-N 2.89Å |
| 903 | H | 90.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 150 | 176.4 | -65.5 | -99.1 | 0 | 0 | 0 | 109.9 | T857 F897 I899 V929 | T857-H903 CarbonylContact O-C 3.59Å; T857-H903 VanDerWaalsContact O-CA 3.27Å; T857-H903 WeakPolarHBondContact O-CA 3.5Å; F897-H903 HydrophobicContact CD1-CB 3.9Å; F897-H903 AromaticContact CD1-CD2 3.79Å; F897-H903 AromaticContact CD1-CG 3.58Å; F897-H903 AromaticContact CD1-ND1 3.84Å; F897-H903 HydrophobicContact CE1-CB 3.74Å; F897-H903 AromaticContact CE1-CG 3.94Å; I899-H903 PolarHBondContact O-NE2 2.64Å; H903-V929 HydrophobicContact CB-CB 4.48Å; H903-V929 PolarHBondContact N-O 3.02Å; H903-V929 PolarHBondContact O-N 3.48Å |
| 904 | M | 90.8 | Very high | 91.4 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 21% | 0.212 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.4 | 168.9 | -71.7 | -64.6 | -91.9 | 0 | 0 | 109.3 | S856 T857 Q859 T926 | S856-M904 CarbonylContact C-O 3.6Å; S856-M904 WeakPolarHBondContact CA-O 3.48Å; T857-M904 PolarHBondContact N-O 3.14Å; T857-M904 PolarHBondContact O-N 2.85Å; Q859-M904 HydrophobicContact CG-CB 4.42Å; Q859-M904 HydrophobicContact CG-CG 3.6Å; M904-T926 HydrophobicContact CB-CG2 4.2Å; M904-T926 HydrophobicContact CE-CG2 3.29Å; M904-T926 HydrophobicContact SD-CG2 4.12Å |
| 905 | V | 92.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.9 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | L829 V854 S855 L895 F897 T926 V927 V929 | L829-V905 HydrophobicContact CD2-CG1 4.08Å; V854-V905 HydrophobicContact CG1-CG1 3.7Å; S855-V905 CarbonylContact O-C 3.6Å; S855-V905 VanDerWaalsContact O-CA 3.3Å; S855-V905 WeakPolarHBondContact O-CA 3.31Å; L895-V905 HydrophobicContact CD1-CG1 3.67Å; L895-V905 HydrophobicContact CD1-CG2 4.01Å; F897-V905 HydrophobicContact CE1-CG2 4.03Å; F897-V905 HydrophobicContact CZ-CG2 3.59Å; V905-T926 CarbonylContact O-C 3.6Å; V905-T926 VanDerWaalsContact O-CA 3.28Å; V905-T926 WeakPolarHBondContact O-CA 3.36Å; V905-T926 WeakPolarHBondContact O-CG2 3.45Å; V905-V927 PolarHBondContact N-O 3.41Å; V905-V927 PolarHBondContact O-N 3.01Å; V905-V929 HydrophobicContact CG2-CB 4.46Å; V905-V929 HydrophobicContact CG2-CG2 3.7Å |
| 906 | N | 93.4 | Very high | 91.1 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.5 | 173.6 | -62.5 | -50 | 0 | 0 | 0 | 109.2 | V854 S855 T926 | V854-N906 CarbonylContact C-O 3.59Å; V854-N906 VanDerWaalsContact CA-O 3.29Å; V854-N906 WeakPolarHBondContact CA-O 3.49Å; S855-N906 PolarHBondContact N-O 3.44Å; S855-N906 PolarHBondContact O-N 3.01Å; N906-T926 WeakPolarHBondContact OD1-CG2 3.25Å; N906-T926 PolarHBondContact OD1-OG1 3.49Å |
| 907 | V | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 116.1 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | L806 L808 L829 V831 N853 V854 K924 T925 | L806-V907 HydrophobicContact CD1-CG1 4.13Å; L808-V907 HydrophobicContact CD1-CB 4.45Å; L808-V907 HydrophobicContact CD1-CG2 4.01Å; L808-V907 HydrophobicContact CD2-CB 4.26Å; L808-V907 HydrophobicContact CD2-CG1 4.22Å; L808-V907 HydrophobicContact CD2-CG2 3.95Å; L829-V907 HydrophobicContact CD2-CG2 3.8Å; V831-V907 HydrophobicContact CG1-CG1 4.02Å; V831-V907 HydrophobicContact CG2-CG1 4.13Å; N853-V907 CarbonylContact O-C 3.46Å; N853-V907 WeakPolarHBondContact O-CA 3.31Å; V854-V907 HydrophobicContact CG1-CG2 4.36Å; V854-V907 HydrophobicContact CG2-CG1 4.2Å; V854-V907 HydrophobicContact CG2-CG2 4.09Å; V907-K924 CarbonylContact O-C 3.33Å; V907-K924 WeakPolarHBondContact O-CA 3.45Å; V907-T925 PolarHBondContact N-O 3Å; V907-T925 PolarHBondContact O-N 3.38Å |
| 908 | E | 94.4 | Very high | 91.4 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.4 | 176.8 | -67.7 | 176.7 | -170 | 0 | 0 | 109 | L852 N853 K924 | L852-E908 WeakPolarHBondContact CA-O 3.39Å; N853-E908 HydrophobicContact CB-CB 4.32Å; N853-E908 PolarHBondContact N-O 2.9Å; N853-E908 PolarHBondContact O-N 3Å; E908-K924 HydrophobicContact CG-CB 4.01Å; E908-K924 HydrophobicContact CG-CD 3.89Å; E908-K924 HydrophobicContact CG-CG 3.69Å; E908-K924 VanDerWaalsContact OE1-CD 3.24Å; E908-K924 WeakPolarHBondContact OE1-CD 3.47Å; E908-K924 WeakPolarHBondContact OE1-CE 3.22Å; E908-K924 IonicContact OE1-NZ 2.76Å; E908-K924 PolarHBondContact OE1-NZ 3.44Å |
| 909 | A | 94.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I804 L806 V850 C851 L852 G922 P923 | I804-A909 HydrophobicContact CD1-CB 4.36Å; I804-A909 HydrophobicContact CG2-CB 4.43Å; L806-A909 HydrophobicContact CD1-CB 4.09Å; L806-A909 HydrophobicContact CD2-CB 4.41Å; V850-A909 HydrophobicContact CG1-CB 4.19Å; C851-A909 CarbonylContact O-C 3.51Å; C851-A909 WeakPolarHBondContact O-CA 3.34Å; L852-A909 HydrophobicContact CD2-CB 3.77Å; A909-G922 CarbonylContact O-C 3.52Å; A909-G922 WeakPolarHBondContact O-CA 3.49Å; A909-G922 PolarHBondContact O-N 3.41Å; A909-G922 VanDerWaalsContact O-N 3.08Å; A909-P923 PolarHBondContact N-O 3.43Å; A909-P923 VanDerWaalsContact N-O 3.14Å |
| 910 | S | 94.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153 | 165.8 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | V850 C851 E918 W919 | V850-S910 CarbonylContact C-O 3.53Å; V850-S910 WeakPolarHBondContact CA-O 3.39Å; V850-S910 WeakPolarHBondContact CG1-O 3.45Å; C851-S910 VanDerWaalsContact CB-OG 3.27Å; C851-S910 WeakPolarHBondContact CB-OG 3.39Å; C851-S910 PolarHBondContact N-O 3.37Å; C851-S910 PolarHBondContact O-N 3.17Å; C851-S910 PolarHBondContact O-OG 3.03Å; S910-E918 VanDerWaalsContact CB-OE1 3.32Å; S910-E918 WeakPolarHBondContact CB-OE1 3.42Å; S910-E918 PolarHBondContact OG-OE1 3.13Å; S910-W919 CarbonylContact C-O 3.36Å; S910-W919 VanDerWaalsContact CA-O 3.23Å; S910-W919 WeakPolarHBondContact CA-O 3.16Å; S910-W919 WeakPolarHBondContact CB-O 3.42Å |
| 911 | V | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.4 | 176.5 | -64 | 0 | 0 | 0 | 0 | 109.7 | F693 I804 I847 E918 W919 | F693-V911 HydrophobicContact CB-CG2 4.45Å; F693-V911 HydrophobicContact CD1-CG2 4.47Å; F693-V911 HydrophobicContact CD2-CG2 3.66Å; F693-V911 HydrophobicContact CE2-CG2 3.93Å; F693-V911 HydrophobicContact CG-CG2 3.94Å; F693-V911 HydrophobicContact CZ-CG2 4.46Å; I804-V911 HydrophobicContact CD1-CG1 3.35Å; I804-V911 HydrophobicContact CG1-CG1 4.33Å; I847-V911 HydrophobicContact CD1-CB 4.31Å; I847-V911 HydrophobicContact CD1-CG1 3.8Å; I847-V911 HydrophobicContact CG1-CB 4.11Å; I847-V911 HydrophobicContact CG1-CG1 4.15Å; I847-V911 HydrophobicContact CG2-CB 4.43Å; I847-V911 HydrophobicContact CG2-CG1 4.47Å; V911-E918 CarbonylContact O-C 3.55Å; V911-W919 HydrophobicContact CG2-CB 3.66Å; V911-W919 HydrophobicContact CG2-CG 4.3Å; V911-W919 PolarHBondContact N-O 3.47Å; V911-W919 PolarHBondContact O-N 2.97Å |
| 912 | V | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.4 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | Q848 S849 I917 E918 | Q848-V912 PolarHBondContact N-O 3.27Å; S849-V912 PolarHBondContact N-O 2.9Å; S849-V912 PolarHBondContact O-N 2.98Å; S849-V912 WeakPolarHBondContact OG-CB 3.37Å; V912-I917 VanDerWaalsContact CA-O 3.3Å; V912-I917 WeakPolarHBondContact CA-O 3.43Å; V912-E918 HydrophobicContact CG2-CB 4.42Å; V912-E918 HydrophobicContact CG2-CG 4.37Å |
| 913 | D | 93.6 | Very high | 92 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 176.8 | 179.7 | 69.3 | 22.7 | 0 | 0 | 0 | 113.5 | F693 R845 K846 Q848 S915 G916 I917 W919 | F693-D913 HydrophobicContact CE2-CB 4.24Å; R845-D913 WeakPolarHBondContact CD-OD2 3.32Å; K846-D913 VanDerWaalsContact O-CA 3.27Å; K846-D913 WeakPolarHBondContact O-CA 3.47Å; K846-D913 WeakPolarHBondContact O-CB 3.37Å; Q848-D913 PolarHBondContact OE1-O 2.94Å; D913-S915 VanDerWaalsContact CG-OG 3.27Å; D913-S915 PolarHBondContact O-N 3.37Å; D913-S915 WeakPolarHBondContact OD1-CA 3.48Å; D913-S915 WeakPolarHBondContact OD1-CB 3.35Å; D913-S915 PolarHBondContact OD1-N 3.37Å; D913-S915 PolarHBondContact OD1-OG 3.4Å; D913-S915 PolarHBondContact OD2-OG 3.02Å; D913-G916 PolarHBondContact O-N 3.33Å; D913-G916 PolarHBondContact OD1-N 3.39Å; D913-G916 VanDerWaalsContact OD1-N 3.1Å; D913-I917 PolarHBondContact N-O 3.04Å; D913-I917 VanDerWaalsContact N-O 3.12Å; D913-I917 PolarHBondContact OD1-N 3.15Å; D913-I917 VanDerWaalsContact OD1-N 3.08Å; D913-W919 PolarHBondContact OD2-NE1 3.48Å |
| 914 | E | 92.4 | Very high | 92 | Very high | 133 Ų | 133 | 42.9 Ų | 42.9 | 62% | 0.621 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.1 | 178.5 | -64.8 | 179.3 | 161.3 | 0 | 0 | 113.9 | K846 | K846-E914 HydrophobicContact CB-CG 4.14Å; K846-E914 VanDerWaalsContact CD-OE1 3.22Å; K846-E914 WeakPolarHBondContact CD-OE1 3.3Å |
| 915 | S | 91.4 | Very high | 92 | Very high | 86 Ų | 86 | 43 Ų | 43 | 60% | 0.601 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.7 | 174.2 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | D913 I917 | D913-S915 VanDerWaalsContact CG-OG 3.27Å; D913-S915 PolarHBondContact O-N 3.37Å; D913-S915 WeakPolarHBondContact OD1-CA 3.48Å; D913-S915 WeakPolarHBondContact OD1-CB 3.35Å; D913-S915 PolarHBondContact OD1-N 3.37Å; D913-S915 PolarHBondContact OD1-OG 3.4Å; D913-S915 PolarHBondContact OD2-OG 3.02Å; S915-I917 WeakPolarHBondContact OG-CD1 3.43Å; S915-I917 WeakPolarHBondContact OG-CG1 3.33Å |
| 916 | G | 91.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | trans | 84.9 | 7.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D913 | D913-G916 PolarHBondContact O-N 3.33Å; D913-G916 PolarHBondContact OD1-N 3.39Å; D913-G916 VanDerWaalsContact OD1-N 3.1Å | ||
| 917 | I | 93.1 | Very high | 91.7 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | trans | -78.2 | 132.9 | 177.8 | -61.5 | 173.1 | 0 | 0 | 0 | 109.2 | V912 D913 S915 W919 | V912-I917 VanDerWaalsContact CA-O 3.3Å; V912-I917 WeakPolarHBondContact CA-O 3.43Å; D913-I917 PolarHBondContact N-O 3.04Å; D913-I917 VanDerWaalsContact N-O 3.12Å; D913-I917 PolarHBondContact OD1-N 3.15Å; D913-I917 VanDerWaalsContact OD1-N 3.08Å; S915-I917 WeakPolarHBondContact OG-CD1 3.43Å; S915-I917 WeakPolarHBondContact OG-CG1 3.33Å; I917-W919 HydrophobicContact CB-CZ2 4.47Å; I917-W919 HydrophobicContact CG2-CD2 4.39Å; I917-W919 HydrophobicContact CG2-CZ2 3.93Å; I917-W919 PolarHBondContact O-NE1 3.35Å | ||
| 918 | E | 94.5 | Very high | 91.6 | Very high | 66 Ų | 66 | 47 Ų | 47 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.5 | 173.5 | -173.6 | 178.8 | 174.4 | 0 | 0 | 111.7 | S910 V911 V912 | S910-E918 VanDerWaalsContact CB-OE1 3.32Å; S910-E918 WeakPolarHBondContact CB-OE1 3.42Å; S910-E918 PolarHBondContact OG-OE1 3.13Å; V911-E918 CarbonylContact O-C 3.55Å; V912-E918 HydrophobicContact CG2-CB 4.42Å; V912-E918 HydrophobicContact CG2-CG 4.37Å |
| 919 | W | 95.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.9 | -176.5 | -58 | 86.5 | 0 | 0 | 0 | 110.5 | Y689 Q690 F693 L700 S910 V911 D913 I917 T921 | Y689-W919 HydrophobicContact CD1-CH2 4.11Å; Y689-W919 AromaticContact CD1-CZ3 3.92Å; Y689-W919 HydrophobicContact CD1-CZ3 3.92Å; Y689-W919 AromaticContact CE1-CH2 3.54Å; Y689-W919 HydrophobicContact CE1-CH2 3.54Å; Y689-W919 HydrophobicContact CE1-CZ2 4.4Å; Y689-W919 AromaticContact CE1-CZ3 3.85Å; Y689-W919 HydrophobicContact CE1-CZ3 3.85Å; Y689-W919 WeakPolarHBondContact O-CZ3 3.44Å; Q690-W919 CarbonylContact O-C 3.57Å; Q690-W919 WeakPolarHBondContact O-CA 3.31Å; Q690-W919 WeakPolarHBondContact O-CB 3.27Å; F693-W919 HydrophobicContact CB-CB 4.2Å; F693-W919 HydrophobicContact CB-CD2 4.3Å; F693-W919 HydrophobicContact CB-CE3 4.26Å; F693-W919 HydrophobicContact CB-CG 4.29Å; F693-W919 HydrophobicContact CD2-CB 4.06Å; F693-W919 AromaticContact CD2-CD1 3.63Å; F693-W919 AromaticContact CD2-CD2 3.87Å; F693-W919 HydrophobicContact CD2-CD2 3.87Å; F693-W919 AromaticContact CD2-CG 3.58Å; F693-W919 HydrophobicContact CD2-CG 3.58Å; F693-W919 AromaticContact CD2-NE1 3.92Å; F693-W919 HydrophobicContact CE2-CG 4.45Å; F693-W919 HydrophobicContact CG-CG 4.42Å; L700-W919 HydrophobicContact CD1-CH2 3.71Å; L700-W919 HydrophobicContact CD1-CZ3 4.35Å; L700-W919 HydrophobicContact CD2-CH2 4.13Å; L700-W919 HydrophobicContact CD2-CZ3 3.99Å; S910-W919 CarbonylContact C-O 3.36Å; S910-W919 VanDerWaalsContact CA-O 3.23Å; S910-W919 WeakPolarHBondContact CA-O 3.16Å; S910-W919 WeakPolarHBondContact CB-O 3.42Å; V911-W919 HydrophobicContact CG2-CB 3.66Å; V911-W919 HydrophobicContact CG2-CG 4.3Å; V911-W919 PolarHBondContact N-O 3.47Å; V911-W919 PolarHBondContact O-N 2.97Å; D913-W919 PolarHBondContact OD2-NE1 3.48Å; I917-W919 HydrophobicContact CB-CZ2 4.47Å; I917-W919 HydrophobicContact CG2-CD2 4.39Å; I917-W919 HydrophobicContact CG2-CZ2 3.93Å; I917-W919 PolarHBondContact O-NE1 3.35Å; W919-T921 PolarHBondContact O-N 3.28Å |
| 920 | K | 91.9 | Very high | 91.2 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 48% | 0.478 | 27% | 0.266 | S | S | . | . | trans | -79.1 | 52.2 | 179.6 | -60 | 176.9 | -176.4 | 167.9 | 0 | 111.7 | D687 Q690 | D687-K920 IonicContact OD1-NZ 3.56Å; D687-K920 PolarHBondContact OD1-NZ 3.27Å; Q690-K920 HydrophobicContact CB-CB 4.48Å; Q690-K920 HydrophobicContact CB-CD 4.47Å; Q690-K920 HydrophobicContact CB-CG 4.31Å; Q690-K920 PolarHBondContact O-N 2.66Å | ||
| 921 | T | 83.3 | Confident | 91 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | trans | -103.9 | -10.6 | -175.3 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | S691 F693 W919 | S691-T921 PolarHBondContact O-OG1 2.98Å; F693-T921 HydrophobicContact CB-CG2 4.03Å; F693-T921 VanDerWaalsContact CB-OG1 3.27Å; F693-T921 WeakPolarHBondContact CB-OG1 3.46Å; W919-T921 PolarHBondContact O-N 3.28Å | ||
| 922 | G | 81.7 | Confident | 90.7 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -78.6 | 164.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A909 | A909-G922 CarbonylContact O-C 3.52Å; A909-G922 WeakPolarHBondContact O-CA 3.49Å; A909-G922 PolarHBondContact O-N 3.41Å; A909-G922 VanDerWaalsContact O-N 3.08Å |
| 923 | P | 89.3 | Confident | 90.2 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.1 | -178.2 | 32.1 | -38.9 | 0 | 0 | 0 | 111.6 | I804 L806 A909 | I804-P923 HydrophobicContact CB-CG 4.44Å; I804-P923 HydrophobicContact CG2-CG 4.33Å; I804-P923 WeakPolarHBondContact O-CD 3.47Å; I804-P923 VanDerWaalsContact O-CG 3.29Å; I804-P923 WeakPolarHBondContact O-CG 3.32Å; L806-P923 HydrophobicContact CB-CG 4.47Å; L806-P923 HydrophobicContact CD1-CG 3.84Å; L806-P923 HydrophobicContact CG-CG 3.72Å; A909-P923 PolarHBondContact N-O 3.43Å; A909-P923 VanDerWaalsContact N-O 3.14Å |
| 924 | K | 90.8 | Very high | 89.5 | Confident | 128 Ų | 128 | 54 Ų | 54 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.1 | 163.9 | -179 | 168.7 | -176.1 | 155.5 | 0 | 108.9 | V907 E908 | V907-K924 CarbonylContact O-C 3.33Å; V907-K924 WeakPolarHBondContact O-CA 3.45Å; E908-K924 HydrophobicContact CG-CB 4.01Å; E908-K924 HydrophobicContact CG-CD 3.89Å; E908-K924 HydrophobicContact CG-CG 3.69Å; E908-K924 VanDerWaalsContact OE1-CD 3.24Å; E908-K924 WeakPolarHBondContact OE1-CD 3.47Å; E908-K924 WeakPolarHBondContact OE1-CE 3.22Å; E908-K924 IonicContact OE1-NZ 2.76Å; E908-K924 PolarHBondContact OE1-NZ 3.44Å |
| 925 | T | 90.3 | Very high | 88.8 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.5 | 178.8 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | L808 V907 | L808-T925 HydrophobicContact CD1-CG2 3.53Å; L808-T925 HydrophobicContact CG-CG2 4.27Å; V907-T925 PolarHBondContact N-O 3Å; V907-T925 PolarHBondContact O-N 3.38Å |
| 926 | T | 90 | Very high | 88 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.4 | -177.6 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | M904 V905 N906 | M904-T926 HydrophobicContact CB-CG2 4.2Å; M904-T926 HydrophobicContact CE-CG2 3.29Å; M904-T926 HydrophobicContact SD-CG2 4.12Å; V905-T926 CarbonylContact O-C 3.6Å; V905-T926 VanDerWaalsContact O-CA 3.28Å; V905-T926 WeakPolarHBondContact O-CA 3.36Å; V905-T926 WeakPolarHBondContact O-CG2 3.45Å; N906-T926 WeakPolarHBondContact OD1-CG2 3.25Å; N906-T926 PolarHBondContact OD1-OG1 3.49Å |
| 927 | V | 90.1 | Very high | 87.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.085 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.8 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | L808 I819 V905 V929 | L808-V927 HydrophobicContact CB-CG2 4.41Å; L808-V927 HydrophobicContact CD1-CG2 3.37Å; I819-V927 HydrophobicContact CD1-CG1 3.54Å; I819-V927 HydrophobicContact CG1-CG1 4.2Å; V905-V927 PolarHBondContact N-O 3.41Å; V905-V927 PolarHBondContact O-N 3.01Å; V927-V929 HydrophobicContact CG1-CG2 4.47Å |
| 928 | S | 90.8 | Very high | 86.2 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131.7 | 175.4 | -165.5 | 0 | 0 | 0 | 0 | 110.8 | P818 I819 | P818-S928 WeakPolarHBondContact CA-O 3.44Å; I819-S928 PolarHBondContact N-O 3.29Å |
| 929 | V | 91.1 | Very high | 85.2 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.2 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | I819 V821 L827 F897 H903 V905 V927 | I819-V929 HydrophobicContact CB-CG2 4.48Å; I819-V929 WeakPolarHBondContact O-CA 3.49Å; V821-V929 HydrophobicContact CB-CG1 4.28Å; V821-V929 HydrophobicContact CG2-CG1 3.72Å; L827-V929 HydrophobicContact CD2-CG1 4.33Å; L827-V929 HydrophobicContact CD2-CG2 3.87Å; F897-V929 HydrophobicContact CD1-CG1 4.42Å; F897-V929 HydrophobicContact CD2-CG1 3.97Å; F897-V929 HydrophobicContact CE1-CB 4.33Å; F897-V929 HydrophobicContact CE1-CG1 4.23Å; F897-V929 HydrophobicContact CE2-CB 4.44Å; F897-V929 HydrophobicContact CE2-CG1 3.75Å; F897-V929 HydrophobicContact CE2-CG2 4.47Å; F897-V929 HydrophobicContact CG-CG1 4.3Å; F897-V929 HydrophobicContact CZ-CB 4.11Å; F897-V929 HydrophobicContact CZ-CG1 3.9Å; F897-V929 HydrophobicContact CZ-CG2 4.11Å; H903-V929 HydrophobicContact CB-CB 4.48Å; H903-V929 PolarHBondContact N-O 3.02Å; H903-V929 PolarHBondContact O-N 3.48Å; V905-V929 HydrophobicContact CG2-CB 4.46Å; V905-V929 HydrophobicContact CG2-CG2 3.7Å; V927-V929 HydrophobicContact CG1-CG2 4.47Å |
| 930 | K | 91.1 | Very high | 84.1 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.2 | 177 | -171 | 172.8 | -176.6 | 177.4 | 0 | 109.8 | P818 I819 V821 L932 | P818-K930 HydrophobicContact CB-CB 3.84Å; P818-K930 HydrophobicContact CG-CB 3.85Å; P818-K930 HydrophobicContact CG-CD 4.22Å; I819-K930 PolarHBondContact O-N 2.87Å; V821-K930 PolarHBondContact N-O 3.25Å; K930-L932 HydrophobicContact CD-CD2 4.01Å; K930-L932 HydrophobicContact CG-CD2 3.91Å; K930-L932 HydrophobicContact CG-CG 4.49Å |
| 931 | S | 90 | Very high | 83.3 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.3 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | V821 N823 F897 I899 G901 | V821-S931 CarbonylContact O-C 3.5Å; V821-S931 WeakPolarHBondContact O-CA 3.48Å; N823-S931 WeakPolarHBondContact CB-OG 3.5Å; F897-S931 PolarHBondContact O-OG 2.99Å; I899-S931 VanDerWaalsContact O-CB 3.23Å; I899-S931 WeakPolarHBondContact O-CB 3.43Å; I899-S931 PolarHBondContact O-OG 2.67Å; G901-S931 PolarHBondContact N-O 2.9Å; G901-S931 PolarHBondContact O-N 3.15Å |
| 932 | L | 88 | Confident | 82.9 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 150.7 | -179.5 | -60.6 | 176.6 | 0 | 0 | 0 | 110 | P820 V821 N823 L900 K930 | P820-L932 HydrophobicContact CB-CD1 3.89Å; V821-L932 PolarHBondContact O-N 2.78Å; N823-L932 WeakPolarHBondContact CB-O 3.38Å; N823-L932 PolarHBondContact N-O 3.43Å; L900-L932 VanDerWaalsContact CD2-C 3.44Å; K930-L932 HydrophobicContact CD-CD2 4.01Å; K930-L932 HydrophobicContact CG-CD2 3.91Å; K930-L932 HydrophobicContact CG-CG 4.49Å |
| 933 | E | 83.5 | Confident | 82.5 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | trans | -68.1 | 139.2 | 174.2 | -169.3 | 171.5 | -175.8 | 0 | 0 | 110.3 | L900 A937 R941 | L900-E933 HydrophobicContact CD1-CB 4.1Å; L900-E933 HydrophobicContact CD1-CG 4.43Å; L900-E933 HydrophobicContact CD2-CB 4Å; L900-E933 VanDerWaalsContact CD2-N 3.33Å; E933-A937 HydrophobicContact CG-CB 4.29Å; E933-R941 VanDerWaalsContact CD-CZ 3.4Å; E933-R941 IonicContact OE1-CZ 2.77Å; E933-R941 IonicContact OE1-NE 3.28Å; E933-R941 PolarHBondContact OE1-NE 3.42Å; E933-R941 IonicContact OE1-NH1 3.32Å; E933-R941 IonicContact OE1-NH2 3.08Å; E933-R941 PolarHBondContact OE1-NH2 3.07Å; E933-R941 IonicContact OE2-CZ 3.13Å; E933-R941 IonicContact OE2-NE 2.78Å; E933-R941 IonicContact OE2-NH1 3.96Å; E933-R941 PolarHBondContact OE2-NH1 3.15Å; E933-R941 IonicContact OE2-NH2 3.66Å; E933-R941 PolarHBondContact OE2-NH2 3.49Å; E933-R941 VanDerWaalsContact OE2-NH2 3.13Å | ||
| 934 | D | 80.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 72.3 Ų | 72.3 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | trans | -54.3 | 127 | 172.4 | 176.4 | 41.2 | 0 | 0 | 0 | 111.2 | N823 N824 Y936 A937 Q938 | N823-D934 PolarHBondContact OD1-N 3.05Å; N824-D934 VanDerWaalsContact ND2-CG 3.25Å; N824-D934 PolarHBondContact ND2-OD1 3.47Å; D934-Y936 PolarHBondContact O-N 3.24Å; D934-Y936 VanDerWaalsContact O-N 3.13Å; D934-Y936 WeakPolarHBondContact OD2-CB 3.31Å; D934-A937 HydrophobicContact CB-CB 4.07Å; D934-A937 WeakPolarHBondContact O-CB 3.49Å; D934-A937 PolarHBondContact O-N 3.44Å; D934-A937 PolarHBondContact OD2-N 3.22Å; D934-Q938 PolarHBondContact O-N 3.2Å | ||
| 935 | P | 75.8 | Confident | 80.7 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.6 | -32.4 | -178 | -27.8 | 34.5 | 0 | 0 | 0 | 113.9 | Q938 Q939 | P935-Q938 PolarHBondContact O-N 3.17Å; P935-Q939 WeakPolarHBondContact O-CB 3.3Å; P935-Q939 WeakPolarHBondContact O-CG 3.43Å; P935-Q939 PolarHBondContact O-N 3.43Å |
| 936 | Y | 74.9 | Confident | 79.6 | Confident | 150 Ų | 150 | 73.5 Ų | 73.5 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.4 | -43 | 177.6 | -174.3 | -104.6 | 0 | 0 | 0 | 111.8 | D934 Q938 Q939 L940 | D934-Y936 PolarHBondContact O-N 3.24Å; D934-Y936 VanDerWaalsContact O-N 3.13Å; D934-Y936 WeakPolarHBondContact OD2-CB 3.31Å; Y936-Q938 VanDerWaalsContact C-N 3.31Å; Y936-Q938 PolarHBondContact O-N 3.03Å; Y936-Q939 PolarHBondContact O-N 3.22Å; Y936-L940 HydrophobicContact CD1-CD1 3.6Å; Y936-L940 HydrophobicContact CD1-CG 4.5Å; Y936-L940 HydrophobicContact CE1-CD1 3.36Å; Y936-L940 HydrophobicContact CE1-CG 4.23Å; Y936-L940 HydrophobicContact CG-CD1 4.46Å; Y936-L940 WeakPolarHBondContact O-CB 3.46Å; Y936-L940 WeakPolarHBondContact O-CG 3.48Å; Y936-L940 PolarHBondContact O-N 2.93Å |
| 937 | A | 73.4 | Confident | 78.4 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E933 D934 L940 R941 | E933-A937 HydrophobicContact CG-CB 4.29Å; D934-A937 HydrophobicContact CB-CB 4.07Å; D934-A937 WeakPolarHBondContact O-CB 3.49Å; D934-A937 PolarHBondContact O-N 3.44Å; D934-A937 PolarHBondContact OD2-N 3.22Å; A937-L940 PolarHBondContact O-N 3.5Å; A937-R941 WeakPolarHBondContact O-CB 3.42Å; A937-R941 PolarHBondContact O-N 3Å |
| 938 | Q | 72.8 | Confident | 77.2 | Confident | 115 Ų | 115 | 82.1 Ų | 82.1 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.2 | -162.3 | 179 | 16.8 | 0 | 0 | 111.8 | D934 P935 Y936 R941 H942 | D934-Q938 PolarHBondContact O-N 3.2Å; P935-Q938 PolarHBondContact O-N 3.17Å; Y936-Q938 VanDerWaalsContact C-N 3.31Å; Y936-Q938 PolarHBondContact O-N 3.03Å; Q938-R941 PolarHBondContact O-N 2.94Å; Q938-H942 WeakPolarHBondContact O-CB 3.41Å; Q938-H942 PolarHBondContact O-N 3.34Å |
| 939 | Q | 73.9 | Confident | 75.8 | Confident | 122 Ų | 122 | 86.9 Ų | 86.9 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65 | -42 | 174.4 | -78.4 | 178.9 | -1.7 | 0 | 0 | 112.5 | P935 Y936 R941 H942 N943 | P935-Q939 WeakPolarHBondContact O-CB 3.3Å; P935-Q939 WeakPolarHBondContact O-CG 3.43Å; P935-Q939 PolarHBondContact O-N 3.43Å; Y936-Q939 PolarHBondContact O-N 3.22Å; Q939-R941 VanDerWaalsContact C-N 3.33Å; Q939-R941 PolarHBondContact O-N 3.31Å; Q939-H942 PolarHBondContact O-N 2.95Å; Q939-N943 WeakPolarHBondContact O-CB 3.44Å; Q939-N943 PolarHBondContact O-N 3.48Å |
| 940 | L | 73.5 | Confident | 74.2 | Confident | 74 Ų | 74 | 90 Ų | 90 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 174.7 | -84.9 | 161.8 | 0 | 0 | 0 | 111.6 | Y936 A937 N943 Q944 | Y936-L940 HydrophobicContact CD1-CD1 3.6Å; Y936-L940 HydrophobicContact CD1-CG 4.5Å; Y936-L940 HydrophobicContact CE1-CD1 3.36Å; Y936-L940 HydrophobicContact CE1-CG 4.23Å; Y936-L940 HydrophobicContact CG-CD1 4.46Å; Y936-L940 WeakPolarHBondContact O-CB 3.46Å; Y936-L940 WeakPolarHBondContact O-CG 3.48Å; Y936-L940 PolarHBondContact O-N 2.93Å; A937-L940 PolarHBondContact O-N 3.5Å; L940-N943 PolarHBondContact O-N 3.13Å; L940-Q944 WeakPolarHBondContact O-CB 3.18Å; L940-Q944 WeakPolarHBondContact O-CG 3.4Å; L940-Q944 PolarHBondContact O-N 3.17Å |
| 941 | R | 74.5 | Confident | 72.5 | Confident | 125 Ų | 125 | 93.1 Ų | 93.1 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.1 | -163.6 | -169.7 | -65 | -177.5 | -11.8 | 111.4 | E933 A937 Q938 Q939 Q944 Q945 | E933-R941 VanDerWaalsContact CD-CZ 3.4Å; E933-R941 IonicContact OE1-CZ 2.77Å; E933-R941 IonicContact OE1-NE 3.28Å; E933-R941 PolarHBondContact OE1-NE 3.42Å; E933-R941 IonicContact OE1-NH1 3.32Å; E933-R941 IonicContact OE1-NH2 3.08Å; E933-R941 PolarHBondContact OE1-NH2 3.07Å; E933-R941 IonicContact OE2-CZ 3.13Å; E933-R941 IonicContact OE2-NE 2.78Å; E933-R941 IonicContact OE2-NH1 3.96Å; E933-R941 PolarHBondContact OE2-NH1 3.15Å; E933-R941 IonicContact OE2-NH2 3.66Å; E933-R941 PolarHBondContact OE2-NH2 3.49Å; E933-R941 VanDerWaalsContact OE2-NH2 3.13Å; A937-R941 WeakPolarHBondContact O-CB 3.42Å; A937-R941 PolarHBondContact O-N 3Å; Q938-R941 PolarHBondContact O-N 2.94Å; Q939-R941 VanDerWaalsContact C-N 3.33Å; Q939-R941 PolarHBondContact O-N 3.31Å; R941-Q944 PolarHBondContact O-N 3.29Å; R941-Q945 WeakPolarHBondContact O-CB 3.27Å; R941-Q945 WeakPolarHBondContact O-CG 3.35Å; R941-Q945 PolarHBondContact O-N 3.29Å |
| 942 | H | 74.2 | Confident | 70.9 | Confident | 106 Ų | 106 | 100.9 Ų | 100.9 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 177.4 | -147.9 | 65.5 | 0 | 0 | 0 | 112.2 | Q938 Q939 Q945 Q946 | Q938-H942 WeakPolarHBondContact O-CB 3.41Å; Q938-H942 PolarHBondContact O-N 3.34Å; Q939-H942 PolarHBondContact O-N 2.95Å; H942-Q945 PolarHBondContact O-N 3.49Å; H942-Q946 PolarHBondContact CD2-NE2 3.42Å; H942-Q946 WeakPolarHBondContact O-CB 3.16Å; H942-Q946 WeakPolarHBondContact O-CG 3.38Å; H942-Q946 PolarHBondContact O-N 3.4Å |
| 943 | N | 73.3 | Confident | 69 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 173.3 | -79.5 | -16.5 | 0 | 0 | 0 | 112 | Q939 L940 Q946 Q947 | Q939-N943 WeakPolarHBondContact O-CB 3.44Å; Q939-N943 PolarHBondContact O-N 3.48Å; L940-N943 PolarHBondContact O-N 3.13Å; N943-Q946 PolarHBondContact O-N 2.88Å; N943-Q947 WeakPolarHBondContact O-CB 3.45Å; N943-Q947 WeakPolarHBondContact O-CG 3.31Å; N943-Q947 PolarHBondContact O-N 3.33Å |
| 944 | Q | 71.1 | Confident | 67.1 | Low | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 173.3 | -78.2 | -179.3 | 9.8 | 0 | 0 | 112 | L940 R941 Q947 Q948 | L940-Q944 WeakPolarHBondContact O-CB 3.18Å; L940-Q944 WeakPolarHBondContact O-CG 3.4Å; L940-Q944 PolarHBondContact O-N 3.17Å; R941-Q944 PolarHBondContact O-N 3.29Å; Q944-Q947 PolarHBondContact O-N 3.49Å; Q944-Q948 PolarHBondContact O-N 3.29Å |
| 945 | Q | 70.9 | Confident | 65.3 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -39.6 | 174.9 | -79.8 | 178.4 | -10.9 | 0 | 0 | 112.4 | R941 H942 Q948 Q949 | R941-Q945 WeakPolarHBondContact O-CB 3.27Å; R941-Q945 WeakPolarHBondContact O-CG 3.35Å; R941-Q945 PolarHBondContact O-N 3.29Å; H942-Q945 PolarHBondContact O-N 3.49Å; Q945-Q948 PolarHBondContact O-N 3.04Å; Q945-Q949 WeakPolarHBondContact O-CB 3.46Å; Q945-Q949 PolarHBondContact O-N 2.71Å |
| 946 | Q | 68.4 | Low | 63.9 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 48% | 0.477 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -36.7 | 173.4 | -77.2 | -177.5 | 8.6 | 0 | 0 | 112.1 | H942 N943 Q949 A950 | H942-Q946 PolarHBondContact CD2-NE2 3.42Å; H942-Q946 WeakPolarHBondContact O-CB 3.16Å; H942-Q946 WeakPolarHBondContact O-CG 3.38Å; H942-Q946 PolarHBondContact O-N 3.4Å; N943-Q946 PolarHBondContact O-N 2.88Å; Q946-Q949 PolarHBondContact O-N 3.32Å; Q946-A950 VanDerWaalsContact O-CB 3.23Å; Q946-A950 WeakPolarHBondContact O-CB 3.37Å; Q946-A950 PolarHBondContact O-N 3.38Å |
| 947 | Q | 64.5 | Low | 62 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 62% | 0.621 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.6 | -38.6 | 172.2 | -82.9 | -178.1 | -2.8 | 0 | 0 | 112.4 | N943 Q944 Q951 | N943-Q947 WeakPolarHBondContact O-CB 3.45Å; N943-Q947 WeakPolarHBondContact O-CG 3.31Å; N943-Q947 PolarHBondContact O-N 3.33Å; Q944-Q947 PolarHBondContact O-N 3.49Å; Q947-Q951 WeakPolarHBondContact O-CG 2.88Å; Q947-Q951 PolarHBondContact O-N 2.94Å |
| 948 | Q | 63.8 | Low | 60.3 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.9 | -39.8 | 174.5 | -80.1 | 178.5 | -1.1 | 0 | 0 | 112.5 | Q944 Q945 Q951 Q952 | Q944-Q948 PolarHBondContact O-N 3.29Å; Q945-Q948 PolarHBondContact O-N 3.04Å; Q948-Q951 PolarHBondContact O-N 3.33Å; Q948-Q952 PolarHBondContact O-N 3.36Å; Q948-Q952 VanDerWaalsContact O-N 3.16Å |
| 949 | Q | 61.7 | Low | 59 | Low | 134 Ų | 134 | 123.2 Ų | 123.2 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.8 | -35.7 | 174.8 | -77.3 | 179.5 | -7.8 | 0 | 0 | 112.5 | Q945 Q946 Q951 Q952 A953 | Q945-Q949 WeakPolarHBondContact O-CB 3.46Å; Q945-Q949 PolarHBondContact O-N 2.71Å; Q946-Q949 PolarHBondContact O-N 3.32Å; Q949-Q951 VanDerWaalsContact C-N 3.31Å; Q949-Q951 PolarHBondContact O-N 3.03Å; Q949-Q952 PolarHBondContact O-N 3.17Å; Q949-A953 WeakPolarHBondContact O-CB 3.47Å; Q949-A953 PolarHBondContact O-N 2.88Å |
| 950 | A | 57.3 | Low | 57.3 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 55% | 0.554 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.5 | -28.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q946 | Q946-A950 VanDerWaalsContact O-CB 3.23Å; Q946-A950 WeakPolarHBondContact O-CB 3.37Å; Q946-A950 PolarHBondContact O-N 3.38Å |
| 951 | Q | 57 | Low | 55.8 | Low | 156 Ų | 156 | 124.3 Ų | 124.3 | 73% | 0.729 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.2 | -28 | 171.1 | -79.7 | 177.8 | -3 | 0 | 0 | 112.9 | Q947 Q948 Q949 | Q947-Q951 WeakPolarHBondContact O-CG 2.88Å; Q947-Q951 PolarHBondContact O-N 2.94Å; Q948-Q951 PolarHBondContact O-N 3.33Å; Q949-Q951 VanDerWaalsContact C-N 3.31Å; Q949-Q951 PolarHBondContact O-N 3.03Å |
| 952 | Q | 55.2 | Low | 54 | Low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.9 | -17.7 | 175.1 | -76.1 | 178.8 | -12.6 | 0 | 0 | 114.1 | Q948 Q949 | Q948-Q952 PolarHBondContact O-N 3.36Å; Q948-Q952 VanDerWaalsContact O-N 3.16Å; Q949-Q952 PolarHBondContact O-N 3.17Å |
| 953 | A | 47.7 | Very low | 52.1 | Low | 80 Ų | 80 | 133.1 Ų | 133.1 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 13.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q949 P955 | Q949-A953 WeakPolarHBondContact O-CB 3.47Å; Q949-A953 PolarHBondContact O-N 2.88Å; A953-P955 WeakPolarHBondContact O-CD 3.41Å |
| 954 | R | 44.8 | Very low | 50.1 | Low | 215 Ų | 215 | 133.9 Ų | 133.9 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -77.8 | 119.6 | 167.5 | -86 | -175 | 173.9 | -177.9 | -1.4 | 109.4 | ||
| 955 | P | 42.3 | Very low | 48.2 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 132.2 | -179.2 | 27.7 | -31 | 0 | 0 | 0 | 111 | A953 T957 | A953-P955 WeakPolarHBondContact O-CD 3.41Å; P955-T957 PolarHBondContact O-N 2.67Å |
| 956 | E | 45.5 | Very low | 47 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 127.4 | 168 | -69.4 | -179.4 | 146 | 0 | 0 | 110.6 | ||
| 957 | T | 35.8 | Very low | 46 | Very low | 144 Ų | 144 | 141 Ų | 141 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -120.4 | 115.7 | 156.2 | 34.6 | 0 | 0 | 0 | 0 | 108.1 | P955 | P955-T957 PolarHBondContact O-N 2.67Š| ||
| 958 | A | 38.1 | Very low | 44.9 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -111.8 | 174 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 959 | P | 45 | Very low | 43.8 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -129.2 | -174.3 | -13.9 | 26.8 | -2.3 | 0 | 0 | 0 | 113.9 | ||||
| 960 | A | 39.6 | Very low | 42.6 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | -61.2 | 179.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 961 | P | 41.9 | Very low | 41.8 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | -141.6 | 164.1 | 92.5 | 35.2 | -17.5 | 0 | 0 | 0 | 117.4 | |||||
| 962 | Q | 35.2 | Very low | 41 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -83.5 | 158.2 | -165.2 | -63.8 | 152.4 | -36.3 | 0 | 0 | 115.3 | ||||
| 963 | R | 33.8 | Very low | 40.3 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -179.1 | 107.9 | 130.4 | -99.6 | 172.4 | -173.7 | -167.9 | 1.7 | 109.7 | ||||
| 964 | S | 32.4 | Very low | 39.9 | Very low | 109 Ų | 109 | 157.6 Ų | 157.6 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | 94.4 | 133.4 | 73.9 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 965 | S | 31 | Very low | 39.6 | Very low | 92 Ų | 92 | 154.2 Ų | 154.2 | 64% | 0.643 | 83% | 0.829 | S | S | * | * | cis | -146.6 | 125.1 | 25.1 | 65.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 966 | V | 45.2 | Very low | 39.4 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | 57.3 | 74.1 | 122.9 | -163.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 967 | Y | 47.4 | Very low | 39 | Very low | 236 Ų | 236 | 154.1 Ų | 154.1 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -149.9 | 143.5 | 178.8 | -107.4 | -93.1 | 0 | 0 | 0 | 112.2 | ||||
| 968 | A | 42.1 | Very low | 39.2 | Very low | 86 Ų | 86 | 154.8 Ų | 154.8 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -123.4 | 145.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 969 | R | 40 | Very low | 39.3 | Very low | 230 Ų | 230 | 159.7 Ų | 159.7 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | 175.4 | 122.9 | 145.2 | -100.9 | 167.2 | 178.4 | -173.9 | 0.4 | 111.1 | ||||
| 970 | F | 37.7 | Very low | 38.9 | Very low | 176 Ų | 176 | 162.3 Ų | 162.3 | 77% | 0.772 | 83% | 0.831 | S | S | * | * | 67.4 | 130.5 | 92.5 | -85.4 | -92.1 | 0 | 0 | 0 | 112.3 | |||||
| 971 | Q | 40.1 | Very low | 38.8 | Very low | 243 Ų | 243 | 169.4 Ų | 169.4 | 100% | 1.136 | 84% | 0.843 | S | S | * | * | cis | -155.9 | 0 | 5.9 | -154.7 | 169.9 | 18.5 | 0 | 0 | 108.7 |
Retrieved 971 of 971 residues in 253.1 ms
(Link to these results)