| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.9 | Very low | 48 | Very low | 214 Ų | 214 | 74.2 Ų | 74.2 | 100% | 1.054 | 40% | 0.399 | S | S | * | . | 0 | -41.8 | 0 | -76.8 | -156 | -103 | 0 | 0 | 112.9 | L3 S4 | M1-L3 PolarHBondContact O-N 2.97Å; M1-S4 PolarHBondContact O-OG 3.21Å | |||
| 2 | S | 43.1 | Very low | 47.4 | Very low | 54 Ų | 54 | 83.3 Ų | 83.3 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.5 | -31.8 | -178.6 | 52.4 | 0 | 0 | 0 | 0 | 115.7 | M5 | S2-M5 WeakPolarHBondContact O-CB 3.49Å |
| 3 | L | 49.3 | Very low | 46.4 | Very low | 14 Ų | 14 | 84.7 Ų | 84.7 | 7% | 0.073 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -82.9 | -21.3 | -178.5 | -74.7 | 157.8 | 0 | 0 | 0 | 114 | M1 M5 A6 R7 E40 E43 | M1-L3 PolarHBondContact O-N 2.97Å; L3-M5 PolarHBondContact O-N 2.82Å; L3-A6 PolarHBondContact O-N 2.82Å; L3-R7 PolarHBondContact O-N 3.36Å; L3-E40 HydrophobicContact CD1-CB 3.64Å; L3-E40 HydrophobicContact CD1-CG 3.67Å; L3-E43 HydrophobicContact CD2-CG 4.31Å |
| 4 | S | 48.2 | Very low | 45 | Very low | 83 Ų | 83 | 86.2 Ų | 86.2 | 58% | 0.58 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.7 | -27.2 | 173.5 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | M1 S8 | M1-S4 PolarHBondContact O-OG 3.21Å; S4-S8 PolarHBondContact O-N 2.88Å |
| 5 | M | 47.6 | Very low | 44 | Very low | 106 Ų | 106 | 96 Ų | 96 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -53.1 | 171.2 | -106.6 | 177.5 | -179.2 | 0 | 0 | 110.8 | S2 L3 R7 S8 F9 | S2-M5 WeakPolarHBondContact O-CB 3.49Å; L3-M5 PolarHBondContact O-N 2.82Å; M5-R7 PolarHBondContact O-N 3.11Å; M5-S8 PolarHBondContact O-N 3.49Å; M5-S8 PolarHBondContact O-OG 3.09Å; M5-F9 HydrophobicContact CB-CD2 4.26Å; M5-F9 HydrophobicContact CB-CE2 3.38Å; M5-F9 HydrophobicContact CB-CZ 3.58Å; M5-F9 HydrophobicContact CG-CE1 4.34Å; M5-F9 HydrophobicContact CG-CE2 3.82Å; M5-F9 HydrophobicContact CG-CZ 3.44Å; M5-F9 VanDerWaalsContact CG-CZ 3.44Å; M5-F9 WeakPolarHBondContact O-CD2 3.24Å; M5-F9 WeakPolarHBondContact O-CE2 3.18Å; M5-F9 WeakPolarHBondContact O-CG 3.4Å; M5-F9 PolarHBondContact O-N 2.93Å; M5-F9 HydrophobicContact SD-CZ 4.09Å |
| 6 | A | 49.1 | Very low | 43.4 | Very low | 5 Ų | 5 | 95.2 Ų | 95.2 | 4% | 0.041 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -54.3 | -31.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L3 L10 L47 | L3-A6 PolarHBondContact O-N 2.82Å; A6-L10 PolarHBondContact O-N 3.03Å; A6-L47 HydrophobicContact CB-CD1 4.23Å |
| 7 | R | 50.5 | Low | 42.5 | Very low | 157 Ų | 157 | 96.7 Ų | 96.7 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71 | -40.4 | 174.1 | -75.5 | -171.9 | -173.8 | -174.6 | 4 | 113.8 | L3 M5 E43 | L3-R7 PolarHBondContact O-N 3.36Å; M5-R7 PolarHBondContact O-N 3.11Å; R7-E43 IonicContact CZ-OE1 3.53Å; R7-E43 IonicContact NE-OE1 3.64Å; R7-E43 PolarHBondContact NE-OE1 3.43Å; R7-E43 IonicContact NH2-OE1 3.8Å; R7-E43 PolarHBondContact NH2-OE1 3.4Å; R7-E43 IonicContact NH2-OE2 3.2Å |
| 8 | S | 48.3 | Very low | 42 | Very low | 53 Ų | 53 | 101.7 Ų | 101.7 | 37% | 0.371 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.5 | -36.8 | 176 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | S4 M5 L10 S11 | S4-S8 PolarHBondContact O-N 2.88Å; M5-S8 PolarHBondContact O-N 3.49Å; M5-S8 PolarHBondContact O-OG 3.09Å; S8-L10 PolarHBondContact O-N 3.21Å; S8-S11 WeakPolarHBondContact O-CB 3.05Å; S8-S11 PolarHBondContact O-N 2.78Å |
| 9 | F | 55.5 | Low | 42 | Very low | 40 Ų | 40 | 105.9 Ų | 105.9 | 18% | 0.175 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -68.5 | -29.6 | -177.7 | -56.1 | -35.9 | 0 | 0 | 0 | 115.6 | M5 L20 E28 K54 | M5-F9 HydrophobicContact CB-CD2 4.26Å; M5-F9 HydrophobicContact CB-CE2 3.38Å; M5-F9 HydrophobicContact CB-CZ 3.58Å; M5-F9 HydrophobicContact CG-CE1 4.34Å; M5-F9 HydrophobicContact CG-CE2 3.82Å; M5-F9 HydrophobicContact CG-CZ 3.44Å; M5-F9 VanDerWaalsContact CG-CZ 3.44Å; M5-F9 WeakPolarHBondContact O-CD2 3.24Å; M5-F9 WeakPolarHBondContact O-CE2 3.18Å; M5-F9 WeakPolarHBondContact O-CG 3.4Å; M5-F9 PolarHBondContact O-N 2.93Å; M5-F9 HydrophobicContact SD-CZ 4.09Å; F9-L20 HydrophobicContact CD1-CD1 4.18Å; F9-L20 HydrophobicContact CE1-CD1 3.87Å; F9-L20 HydrophobicContact CE2-CD1 4.27Å; F9-L20 HydrophobicContact CZ-CD1 3.93Å; F9-E28 WeakPolarHBondContact CE2-OE2 3.46Å; F9-K54 PolarHBondContact O-NZ 3.32Å |
| 10 | L | 53.3 | Low | 42.4 | Very low | 19 Ų | 19 | 105 Ų | 105 | 10% | 0.099 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | 13 | 179.9 | -63.5 | 171.9 | 0 | 0 | 0 | 112.2 | A6 S8 L47 K50 K54 | A6-L10 PolarHBondContact O-N 3.03Å; S8-L10 PolarHBondContact O-N 3.21Å; L10-L47 HydrophobicContact CD1-CB 4.1Å; L10-L47 HydrophobicContact CD1-CD2 4.28Å; L10-K50 HydrophobicContact CB-CB 4.13Å; L10-K50 HydrophobicContact CB-CD 3.96Å; L10-K50 HydrophobicContact CD1-CB 4.15Å; L10-K50 HydrophobicContact CD2-CB 4.32Å; L10-K50 HydrophobicContact CG-CB 4.44Å; L10-K54 HydrophobicContact CD2-CD 4.16Å |
| 11 | S | 45.5 | Very low | 43.9 | Very low | 71 Ų | 71 | 104.7 Ų | 104.7 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -75 | 151.3 | 165.6 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | S8 A13 | S8-S11 WeakPolarHBondContact O-CB 3.05Å; S8-S11 PolarHBondContact O-N 2.78Å; S11-A13 PolarHBondContact O-N 3.47Å |
| 12 | E | 40.5 | Very low | 45.9 | Very low | 184 Ų | 184 | 95 Ų | 95 | 86% | 0.86 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -53.3 | 134 | 165.6 | -78.8 | 177.4 | 157 | 0 | 0 | 108.7 | C14 | E12-C14 PolarHBondContact O-N 3.34Š|
| 13 | A | 34.4 | Very low | 47.8 | Very low | 101 Ų | 101 | 96.9 Ų | 96.9 | 84% | 0.835 | 52% | 0.523 | S | S | * | . | trans | -48.3 | 108 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 | S11-A13 PolarHBondContact O-N 3.47Š| ||
| 14 | C | 26.8 | Very low | 49.5 | Very low | 106 Ų | 106 | 98 Ų | 98 | 72% | 0.716 | 53% | 0.532 | S | S | * | . | trans | -75.8 | 136.9 | 157.4 | -104.3 | 0 | 0 | 0 | 0 | 108.1 | E12 G16 | E12-C14 PolarHBondContact O-N 3.34Å; C14-G16 PolarHBondContact O-N 3.18Å; C14-G16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | Y | 30.5 | Very low | 51.3 | Low | 233 Ų | 233 | 94.8 Ų | 94.8 | 91% | 0.914 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | 117 | 176.1 | -72.9 | -91.4 | 0 | 0 | 0 | 111.5 | ||
| 16 | G | 33.8 | Very low | 53.4 | Low | 83 Ų | 83 | 90.4 Ų | 90.4 | 86% | 0.856 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.1 | 2.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119 | C14 | C14-G16 PolarHBondContact O-N 3.18Å; C14-G16 VanDerWaalsContact O-N 3.16Å |
| 17 | E | 28.7 | Very low | 55.3 | Low | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | trans | -85.6 | 132.9 | 173.5 | -71.6 | -165.3 | 169.9 | 0 | 0 | 112.3 | E19 | E17-E19 PolarHBondContact O-N 3.15Š| ||
| 18 | Q | 33.9 | Very low | 57.1 | Low | 186 Ų | 186 | 92.4 Ų | 92.4 | 87% | 0.869 | 51% | 0.506 | S | S | * | . | trans | -57.4 | 121.9 | 169.8 | -79.5 | 174.1 | -22 | 0 | 0 | 109.3 | L20 | Q18-L20 PolarHBondContact O-N 2.92Š| ||
| 19 | E | 41.8 | Very low | 59.2 | Low | 183 Ų | 183 | 90 Ų | 90 | 86% | 0.855 | 49% | 0.489 | S | S | * | . | trans | -58.4 | 104.1 | 173.4 | -73.7 | -172.5 | 148.4 | 0 | 0 | 110 | E17 | E17-E19 PolarHBondContact O-N 3.15Š| ||
| 20 | L | 49.8 | Very low | 61 | Low | 87 Ų | 87 | 89.2 Ų | 89.2 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | trans | -69 | 143.1 | 171 | -78.6 | 165.5 | 0 | 0 | 0 | 110.7 | F9 Q18 Y55 | F9-L20 HydrophobicContact CD1-CD1 4.18Å; F9-L20 HydrophobicContact CE1-CD1 3.87Å; F9-L20 HydrophobicContact CE2-CD1 4.27Å; F9-L20 HydrophobicContact CZ-CD1 3.93Å; Q18-L20 PolarHBondContact O-N 2.92Å; L20-Y55 PolarHBondContact O-OH 3.25Å | ||
| 21 | D | 73.6 | Confident | 62.8 | Low | 98 Ų | 98 | 95 Ų | 95 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | trans | -62.5 | 141.7 | 179.7 | 178.2 | 28.7 | 0 | 0 | 0 | 111.6 | N23 S24 A25 | D21-N23 PolarHBondContact O-N 3.39Å; D21-N23 VanDerWaalsContact O-N 3.07Å; D21-N23 WeakPolarHBondContact OD2-CB 3.28Å; D21-N23 PolarHBondContact OD2-ND2 3.02Å; D21-S24 WeakPolarHBondContact O-CB 3.45Å; D21-S24 PolarHBondContact O-N 3.14Å; D21-S24 PolarHBondContact O-OG 3.2Å; D21-A25 PolarHBondContact O-N 3.28Å | ||
| 22 | A | 80.1 | Confident | 65 | Low | 10 Ų | 10 | 91.8 Ų | 91.8 | 8% | 0.083 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -54.3 | -32.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A25 L26 Y55 L60 | A22-A25 PolarHBondContact O-N 3.09Å; A22-L26 PolarHBondContact O-N 3.45Å; A22-L26 VanDerWaalsContact O-N 3.15Å; A22-Y55 HydrophobicContact CB-CD1 3.65Å; A22-Y55 HydrophobicContact CB-CD2 4.07Å; A22-Y55 HydrophobicContact CB-CE1 3.97Å; A22-Y55 HydrophobicContact CB-CE2 4.37Å; A22-Y55 HydrophobicContact CB-CG 3.69Å; A22-L60 HydrophobicContact CB-CD1 4.28Å; A22-L60 HydrophobicContact CB-CD2 4.14Å |
| 23 | N | 83.1 | Confident | 67.5 | Low | 94 Ų | 94 | 83.2 Ų | 83.2 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.1 | -66.2 | -50.1 | 0 | 0 | 0 | 112.4 | D21 L26 M27 | D21-N23 PolarHBondContact O-N 3.39Å; D21-N23 VanDerWaalsContact O-N 3.07Å; D21-N23 WeakPolarHBondContact OD2-CB 3.28Å; D21-N23 PolarHBondContact OD2-ND2 3.02Å; N23-L26 PolarHBondContact O-N 3.13Å; N23-M27 WeakPolarHBondContact O-CG 3.49Å; N23-M27 PolarHBondContact O-N 3.31Å |
| 24 | S | 85.3 | Confident | 70.1 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 179.5 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | D21 L26 M27 E28 | D21-S24 WeakPolarHBondContact O-CB 3.45Å; D21-S24 PolarHBondContact O-N 3.14Å; D21-S24 PolarHBondContact O-OG 3.2Å; S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 2.67Å; S24-M27 WeakPolarHBondContact O-CB 3.4Å; S24-M27 PolarHBondContact O-N 3.44Å; S24-M27 VanDerWaalsContact O-N 3.15Å; S24-E28 PolarHBondContact O-N 3.41Å |
| 25 | A | 86.2 | Confident | 73.2 | Confident | 16 Ų | 16 | 83.2 Ų | 83.2 | 13% | 0.132 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D21 A22 E28 L29 L51 | D21-A25 PolarHBondContact O-N 3.28Å; A22-A25 PolarHBondContact O-N 3.09Å; A25-E28 PolarHBondContact O-N 3.45Å; A25-L29 WeakPolarHBondContact O-CG 3.49Å; A25-L29 PolarHBondContact O-N 3.15Å; A25-L29 VanDerWaalsContact O-N 3.16Å; A25-L51 HydrophobicContact CB-CD1 3.65Å |
| 26 | L | 90.6 | Very high | 75.8 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 7% | 0.073 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 175.2 | -178.6 | 61.9 | 0 | 0 | 0 | 112.4 | A22 N23 S24 L29 D30 F48 L51 L60 A64 K67 | A22-L26 PolarHBondContact O-N 3.45Å; A22-L26 VanDerWaalsContact O-N 3.15Å; N23-L26 PolarHBondContact O-N 3.13Å; S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 2.67Å; L26-L29 PolarHBondContact O-N 2.98Å; L26-D30 WeakPolarHBondContact O-CB 3.35Å; L26-D30 PolarHBondContact O-N 2.92Å; L26-F48 HydrophobicContact CD1-CE1 3.83Å; L26-F48 HydrophobicContact CD1-CZ 4.43Å; L26-L51 HydrophobicContact CB-CD2 4.49Å; L26-L51 HydrophobicContact CD1-CD2 4.06Å; L26-L60 HydrophobicContact CB-CD1 3.89Å; L26-L60 HydrophobicContact CD2-CD1 3.69Å; L26-L60 HydrophobicContact CG-CD1 4.34Å; L26-A64 HydrophobicContact CD1-CB 4.02Å; L26-K67 HydrophobicContact CD1-CD 4.23Å |
| 27 | M | 89.3 | Confident | 78.5 | Confident | 142 Ų | 142 | 78.4 Ų | 78.4 | 70% | 0.7 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 176.3 | -76.9 | -174.9 | 171.5 | 0 | 0 | 112.3 | N23 S24 D30 K31 | N23-M27 WeakPolarHBondContact O-CG 3.49Å; N23-M27 PolarHBondContact O-N 3.31Å; S24-M27 WeakPolarHBondContact O-CB 3.4Å; S24-M27 PolarHBondContact O-N 3.44Å; S24-M27 VanDerWaalsContact O-N 3.15Å; M27-D30 PolarHBondContact O-N 3.45Å; M27-K31 PolarHBondContact O-N 3.24Å |
| 28 | E | 88.9 | Confident | 81.5 | Confident | 61 Ų | 61 | 76 Ų | 76 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.8 | -71.9 | -167 | 160.8 | 0 | 0 | 112.5 | F9 S24 A25 D30 K31 G32 | F9-E28 WeakPolarHBondContact CE2-OE2 3.46Å; S24-E28 PolarHBondContact O-N 3.41Å; A25-E28 PolarHBondContact O-N 3.45Å; E28-D30 VanDerWaalsContact C-N 3.32Å; E28-D30 PolarHBondContact O-N 3.38Å; E28-K31 WeakPolarHBondContact O-CB 3.45Å; E28-K31 PolarHBondContact O-N 3.29Å; E28-G32 PolarHBondContact O-N 3.4Å; E28-G32 VanDerWaalsContact O-N 3.07Å |
| 29 | L | 92.4 | Very high | 84.2 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 175 | -68.2 | 179.3 | 0 | 0 | 0 | 111.2 | A25 L26 K31 G32 L33 A44 L47 F48 L51 | A25-L29 WeakPolarHBondContact O-CG 3.49Å; A25-L29 PolarHBondContact O-N 3.15Å; A25-L29 VanDerWaalsContact O-N 3.16Å; L26-L29 PolarHBondContact O-N 2.98Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 3Å; L29-G32 WeakPolarHBondContact O-CA 3.49Å; L29-G32 PolarHBondContact O-N 3.39Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.17Å; L29-A44 HydrophobicContact CD2-CB 4.36Å; L29-L47 HydrophobicContact CD2-CB 3.78Å; L29-L47 HydrophobicContact CD2-CD1 4Å; L29-F48 HydrophobicContact CB-CE2 4.17Å; L29-F48 HydrophobicContact CB-CZ 3.98Å; L29-F48 HydrophobicContact CD1-CD1 4.36Å; L29-F48 HydrophobicContact CD1-CD2 4.38Å; L29-F48 HydrophobicContact CD1-CE1 4.3Å; L29-F48 HydrophobicContact CD1-CE2 4.33Å; L29-F48 HydrophobicContact CD1-CG 4.41Å; L29-F48 HydrophobicContact CD1-CZ 4.29Å; L29-L51 HydrophobicContact CD1-CB 4.27Å; L29-L51 HydrophobicContact CD1-CD1 4.49Å; L29-L51 HydrophobicContact CD1-CD2 4.1Å |
| 30 | D | 92.4 | Very high | 86.6 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 174.6 | -169.3 | 49.3 | 0 | 0 | 0 | 112.1 | L26 M27 E28 G32 L33 R34 K67 | L26-D30 WeakPolarHBondContact O-CB 3.35Å; L26-D30 PolarHBondContact O-N 2.92Å; M27-D30 PolarHBondContact O-N 3.45Å; E28-D30 VanDerWaalsContact C-N 3.32Å; E28-D30 PolarHBondContact O-N 3.38Å; D30-G32 VanDerWaalsContact C-N 3.34Å; D30-L33 PolarHBondContact O-N 3.2Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.94Å; D30-R34 IonicContact OD1-NE 2.97Å; D30-R34 IonicContact OD1-NH2 2.82Å; D30-R34 IonicContact OD2-CZ 3.9Å; D30-R34 VanDerWaalsContact OD2-CZ 3.3Å; D30-R34 IonicContact OD2-NE 3.34Å; D30-R34 PolarHBondContact OD2-NE 3.38Å; D30-R34 IonicContact OD2-NH2 3.59Å; D30-R34 PolarHBondContact OD2-NH2 2.95Å; D30-K67 HydrophobicContact CB-CD 4.25Å; D30-K67 IonicContact OD1-NZ 3.97Å; D30-K67 PolarHBondContact OD1-NZ 3.36Å; D30-K67 IonicContact OD2-NZ 2.65Å; D30-K67 PolarHBondContact OD2-NZ 2.97Å |
| 31 | K | 91.8 | Very high | 88.7 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 61% | 0.613 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 173.6 | -173.8 | 179 | 179.3 | 177.4 | 0 | 111.7 | M27 E28 L29 R34 S35 | M27-K31 PolarHBondContact O-N 3.24Å; E28-K31 WeakPolarHBondContact O-CB 3.45Å; E28-K31 PolarHBondContact O-N 3.29Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 3Å; K31-R34 PolarHBondContact O-N 3.36Å; K31-S35 PolarHBondContact O-N 2.93Å |
| 32 | G | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E28 L29 D30 R34 S35 | E28-G32 PolarHBondContact O-N 3.4Å; E28-G32 VanDerWaalsContact O-N 3.07Å; L29-G32 WeakPolarHBondContact O-CA 3.49Å; L29-G32 PolarHBondContact O-N 3.39Å; D30-G32 VanDerWaalsContact C-N 3.34Å; G32-R34 VanDerWaalsContact C-N 3.29Å; G32-R34 PolarHBondContact O-N 3.09Å; G32-S35 WeakPolarHBondContact O-CB 3.31Å; G32-S35 PolarHBondContact O-N 3.49Å; G32-S35 VanDerWaalsContact O-N 3.12Å |
| 33 | L | 92.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 176.1 | -68.9 | -175.6 | 0 | 0 | 0 | 113 | L29 D30 S35 Q41 A44 V45 F48 K67 I71 | L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.17Å; D30-L33 PolarHBondContact O-N 3.2Å; L33-S35 VanDerWaalsContact C-N 3.28Å; L33-S35 PolarHBondContact O-N 3.46Å; L33-Q41 WeakPolarHBondContact O-CG 3.42Å; L33-Q41 PolarHBondContact O-NE2 2.84Å; L33-A44 HydrophobicContact CD2-CB 3.88Å; L33-A44 HydrophobicContact CG-CB 4.22Å; L33-V45 HydrophobicContact CD2-CG2 3.6Å; L33-F48 HydrophobicContact CD1-CE2 3.81Å; L33-F48 HydrophobicContact CD1-CZ 3.75Å; L33-F48 HydrophobicContact CD2-CE2 4.18Å; L33-F48 HydrophobicContact CG-CE2 4.17Å; L33-F48 HydrophobicContact CG-CZ 4.47Å; L33-K67 HydrophobicContact CD1-CB 4.16Å; L33-I71 HydrophobicContact CB-CD1 4.05Å; L33-I71 HydrophobicContact CB-CG1 4.3Å; L33-I71 HydrophobicContact CD1-CG1 4.07Å; L33-I71 HydrophobicContact CD2-CD1 4.45Å; L33-I71 HydrophobicContact CD2-CG1 4.08Å; L33-I71 HydrophobicContact CG-CG1 4.38Å |
| 34 | R | 90.6 | Very high | 90.7 | Very high | 186 Ų | 186 | 54.2 Ų | 54.2 | 70% | 0.702 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -1.3 | 177.2 | -65.7 | 177.7 | -165.2 | -157.3 | 9.1 | 113.9 | D30 K31 G32 | D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.94Å; D30-R34 IonicContact OD1-NE 2.97Å; D30-R34 IonicContact OD1-NH2 2.82Å; D30-R34 IonicContact OD2-CZ 3.9Å; D30-R34 VanDerWaalsContact OD2-CZ 3.3Å; D30-R34 IonicContact OD2-NE 3.34Å; D30-R34 PolarHBondContact OD2-NE 3.38Å; D30-R34 IonicContact OD2-NH2 3.59Å; D30-R34 PolarHBondContact OD2-NH2 2.95Å; K31-R34 PolarHBondContact O-N 3.36Å; G32-R34 VanDerWaalsContact C-N 3.29Å; G32-R34 PolarHBondContact O-N 3.09Å |
| 35 | S | 90.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | trans | -63.4 | 143.9 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | K31 G32 L33 K37 E40 Q41 | K31-S35 PolarHBondContact O-N 2.93Å; G32-S35 WeakPolarHBondContact O-CB 3.31Å; G32-S35 PolarHBondContact O-N 3.49Å; G32-S35 VanDerWaalsContact O-N 3.12Å; L33-S35 VanDerWaalsContact C-N 3.28Å; L33-S35 PolarHBondContact O-N 3.46Å; S35-K37 PolarHBondContact O-N 2.92Å; S35-K37 PolarHBondContact OG-N 3.22Å; S35-E40 VanDerWaalsContact CB-OE2 3.26Å; S35-E40 WeakPolarHBondContact CB-OE2 3.34Å; S35-E40 PolarHBondContact OG-OE2 2.66Å; S35-Q41 VanDerWaalsContact O-CD 3.25Å; S35-Q41 WeakPolarHBondContact O-CG 3.26Å; S35-Q41 PolarHBondContact O-NE2 2.88Å | ||
| 36 | G | 84.6 | Confident | 91.5 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 88% | 0.876 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73.1 | -7.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 37 | K | 91.2 | Very high | 91.6 | Very high | 130 Ų | 130 | 55.5 Ų | 55.5 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | trans | -97.7 | 121.5 | -179.2 | -61 | -172.4 | -156.4 | 150.2 | 0 | 111.3 | S35 G39 E40 Q41 | S35-K37 PolarHBondContact O-N 2.92Å; S35-K37 PolarHBondContact OG-N 3.22Å; K37-G39 VanDerWaalsContact C-N 3.26Å; K37-G39 PolarHBondContact O-N 2.98Å; K37-E40 HydrophobicContact CB-CB 4.31Å; K37-E40 HydrophobicContact CB-CG 4.13Å; K37-E40 HydrophobicContact CD-CG 4.4Å; K37-E40 WeakPolarHBondContact CD-OE1 3.42Å; K37-E40 IonicContact NZ-OE1 2.86Å; K37-E40 PolarHBondContact NZ-OE1 2.96Å; K37-E40 PolarHBondContact O-N 3.32Å; K37-E40 VanDerWaalsContact O-N 3.1Å; K37-Q41 PolarHBondContact O-N 3.4Å; K37-Q41 VanDerWaalsContact O-N 3.16Å | ||
| 38 | L | 91.2 | Very high | 91.9 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.8 | -40.4 | 178.8 | -177 | 62.1 | 0 | 0 | 0 | 113 | E40 Q41 C42 N76 L79 | L38-E40 PolarHBondContact O-N 3.34Å; L38-Q41 PolarHBondContact O-N 3.39Å; L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 3.25Å; L38-C42 PolarHBondContact O-SG 3.17Å; L38-N76 WeakPolarHBondContact CD1-ND2 3.12Å; L38-L79 HydrophobicContact CD1-CD1 3.79Å; L38-L79 HydrophobicContact CD1-CD2 4.06Å; L38-L79 HydrophobicContact CD1-CG 3.68Å |
| 39 | G | 91.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 55% | 0.546 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K37 C42 E43 | K37-G39 VanDerWaalsContact C-N 3.26Å; K37-G39 PolarHBondContact O-N 2.98Å; G39-C42 PolarHBondContact O-N 3.13Å; G39-E43 WeakPolarHBondContact O-CB 3.45Å; G39-E43 PolarHBondContact O-N 3.04Å |
| 40 | E | 92 | Very high | 91.9 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 178.6 | -66.9 | -179.1 | -169.2 | 0 | 0 | 111.3 | L3 S35 K37 L38 A44 | L3-E40 HydrophobicContact CD1-CB 3.64Å; L3-E40 HydrophobicContact CD1-CG 3.67Å; S35-E40 VanDerWaalsContact CB-OE2 3.26Å; S35-E40 WeakPolarHBondContact CB-OE2 3.34Å; S35-E40 PolarHBondContact OG-OE2 2.66Å; K37-E40 HydrophobicContact CB-CB 4.31Å; K37-E40 HydrophobicContact CB-CG 4.13Å; K37-E40 HydrophobicContact CD-CG 4.4Å; K37-E40 WeakPolarHBondContact CD-OE1 3.42Å; K37-E40 IonicContact NZ-OE1 2.86Å; K37-E40 PolarHBondContact NZ-OE1 2.96Å; K37-E40 PolarHBondContact O-N 3.32Å; K37-E40 VanDerWaalsContact O-N 3.1Å; L38-E40 PolarHBondContact O-N 3.34Å; E40-A44 WeakPolarHBondContact O-CB 3.36Å; E40-A44 PolarHBondContact O-N 3.47Å |
| 41 | Q | 93.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.2 | -65 | -178.5 | -46.3 | 0 | 0 | 111.7 | L33 S35 K37 L38 A44 V45 L79 | L33-Q41 WeakPolarHBondContact O-CG 3.42Å; L33-Q41 PolarHBondContact O-NE2 2.84Å; S35-Q41 VanDerWaalsContact O-CD 3.25Å; S35-Q41 WeakPolarHBondContact O-CG 3.26Å; S35-Q41 PolarHBondContact O-NE2 2.88Å; K37-Q41 PolarHBondContact O-N 3.4Å; K37-Q41 VanDerWaalsContact O-N 3.16Å; L38-Q41 PolarHBondContact O-N 3.39Å; Q41-A44 PolarHBondContact O-N 3.19Å; Q41-V45 WeakPolarHBondContact O-CG2 3.11Å; Q41-V45 PolarHBondContact O-N 3.44Å; Q41-L79 HydrophobicContact CB-CD2 3.85Å |
| 42 | C | 92.6 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.9 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | L38 G39 A44 V45 V46 F78 L79 | L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 3.25Å; L38-C42 PolarHBondContact O-SG 3.17Å; G39-C42 PolarHBondContact O-N 3.13Å; C42-A44 PolarHBondContact O-N 3.21Å; C42-V45 PolarHBondContact O-N 3.2Å; C42-V46 WeakPolarHBondContact O-CG2 3.41Å; C42-V46 PolarHBondContact O-N 2.66Å; C42-F78 HydrophobicContact CB-CE1 4.27Å; C42-F78 VanDerWaalsContact SG-CD1 3.51Å; C42-F78 WeakPolarHBondContact SG-CE1 3.4Å; C42-L79 WeakPolarHBondContact SG-CD2 3.16Å |
| 43 | E | 92.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.5 | 179 | 171.3 | -158.3 | 0 | 0 | 111.7 | L3 R7 G39 V45 V46 L47 | L3-E43 HydrophobicContact CD2-CG 4.31Å; R7-E43 IonicContact CZ-OE1 3.53Å; R7-E43 IonicContact NE-OE1 3.64Å; R7-E43 PolarHBondContact NE-OE1 3.43Å; R7-E43 IonicContact NH2-OE1 3.8Å; R7-E43 PolarHBondContact NH2-OE1 3.4Å; R7-E43 IonicContact NH2-OE2 3.2Å; G39-E43 WeakPolarHBondContact O-CB 3.45Å; G39-E43 PolarHBondContact O-N 3.04Å; E43-V45 PolarHBondContact O-N 2.95Å; E43-V46 VanDerWaalsContact O-CG2 3.26Å; E43-V46 WeakPolarHBondContact O-CG2 3.3Å; E43-V46 PolarHBondContact O-N 2.81Å; E43-L47 HydrophobicContact CG-CD1 4.3Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.34Å |
| 44 | A | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L29 L33 E40 Q41 C42 V46 L47 F48 | L29-A44 HydrophobicContact CD2-CB 4.36Å; L33-A44 HydrophobicContact CD2-CB 3.88Å; L33-A44 HydrophobicContact CG-CB 4.22Å; E40-A44 WeakPolarHBondContact O-CB 3.36Å; E40-A44 PolarHBondContact O-N 3.47Å; Q41-A44 PolarHBondContact O-N 3.19Å; C42-A44 PolarHBondContact O-N 3.21Å; A44-V46 PolarHBondContact O-N 2.87Å; A44-L47 PolarHBondContact O-N 2.94Å; A44-F48 WeakPolarHBondContact O-CD2 3.32Å; A44-F48 WeakPolarHBondContact O-CE2 3.44Å |
| 45 | V | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L33 Q41 C42 E43 L47 F48 L68 I71 C82 V83 V86 | L33-V45 HydrophobicContact CD2-CG2 3.6Å; Q41-V45 WeakPolarHBondContact O-CG2 3.11Å; Q41-V45 PolarHBondContact O-N 3.44Å; C42-V45 PolarHBondContact O-N 3.2Å; E43-V45 PolarHBondContact O-N 2.95Å; V45-L47 PolarHBondContact O-N 3.23Å; V45-F48 WeakPolarHBondContact O-CD2 3.48Å; V45-F48 PolarHBondContact O-N 3.46Å; V45-L68 HydrophobicContact CG1-CD2 4.22Å; V45-L68 HydrophobicContact CG2-CD2 4.24Å; V45-I71 HydrophobicContact CG2-CG2 4.43Å; V45-C82 HydrophobicContact CB-CB 4.43Å; V45-C82 HydrophobicContact CG1-CB 3.73Å; V45-V83 HydrophobicContact CG1-CG2 3.96Å; V45-V83 HydrophobicContact CG2-CG2 4.22Å; V45-V86 HydrophobicContact CG1-CG2 3.76Å; V45-V86 VanDerWaalsContact O-CG2 3.3Å; V45-V86 WeakPolarHBondContact O-CG2 3.41Å |
| 46 | V | 93.5 | Very high | 90.2 | Very high | 82 Ų | 82 | 44 Ų | 44 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.1 | -9.1 | -175.8 | -59 | 0 | 0 | 0 | 0 | 114.3 | C42 E43 A44 P49 | C42-V46 WeakPolarHBondContact O-CG2 3.41Å; C42-V46 PolarHBondContact O-N 2.66Å; E43-V46 VanDerWaalsContact O-CG2 3.26Å; E43-V46 WeakPolarHBondContact O-CG2 3.3Å; E43-V46 PolarHBondContact O-N 2.81Å; A44-V46 PolarHBondContact O-N 2.87Å; V46-P49 WeakPolarHBondContact O-CD 3.35Å |
| 47 | L | 93.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -88.1 | -15.6 | 174.7 | -70.7 | 174.2 | 0 | 0 | 0 | 113.5 | A6 L10 L29 E43 A44 V45 K50 L51 | A6-L47 HydrophobicContact CB-CD1 4.23Å; L10-L47 HydrophobicContact CD1-CB 4.1Å; L10-L47 HydrophobicContact CD1-CD2 4.28Å; L29-L47 HydrophobicContact CD2-CB 3.78Å; L29-L47 HydrophobicContact CD2-CD1 4Å; E43-L47 HydrophobicContact CG-CD1 4.3Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.34Å; A44-L47 PolarHBondContact O-N 2.94Å; V45-L47 PolarHBondContact O-N 3.23Å; L47-K50 HydrophobicContact CD2-CD 4.27Å; L47-K50 WeakPolarHBondContact O-CB 3.48Å; L47-K50 PolarHBondContact O-N 3.44Å; L47-K50 VanDerWaalsContact O-N 3.14Å; L47-L51 PolarHBondContact O-N 3.13Å |
| 48 | F | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -39.6 | 177 | -82.2 | -87.1 | 0 | 0 | 0 | 114.7 | L26 L29 L33 A44 V45 K50 L51 F52 A64 L68 V86 | L26-F48 HydrophobicContact CD1-CE1 3.83Å; L26-F48 HydrophobicContact CD1-CZ 4.43Å; L29-F48 HydrophobicContact CB-CE2 4.17Å; L29-F48 HydrophobicContact CB-CZ 3.98Å; L29-F48 HydrophobicContact CD1-CD1 4.36Å; L29-F48 HydrophobicContact CD1-CD2 4.38Å; L29-F48 HydrophobicContact CD1-CE1 4.3Å; L29-F48 HydrophobicContact CD1-CE2 4.33Å; L29-F48 HydrophobicContact CD1-CG 4.41Å; L29-F48 HydrophobicContact CD1-CZ 4.29Å; L33-F48 HydrophobicContact CD1-CE2 3.81Å; L33-F48 HydrophobicContact CD1-CZ 3.75Å; L33-F48 HydrophobicContact CD2-CE2 4.18Å; L33-F48 HydrophobicContact CG-CE2 4.17Å; L33-F48 HydrophobicContact CG-CZ 4.47Å; A44-F48 WeakPolarHBondContact O-CD2 3.32Å; A44-F48 WeakPolarHBondContact O-CE2 3.44Å; V45-F48 WeakPolarHBondContact O-CD2 3.48Å; V45-F48 PolarHBondContact O-N 3.46Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.04Å; F48-L51 HydrophobicContact CD1-CD2 4.17Å; F48-L51 HydrophobicContact CE1-CD2 4.39Å; F48-L51 WeakPolarHBondContact O-CA 3.5Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 3.3Å; F48-F52 HydrophobicContact CB-CE2 4.03Å; F48-F52 HydrophobicContact CB-CZ 4.09Å; F48-F52 HydrophobicContact CD1-CE1 4.23Å; F48-F52 HydrophobicContact CD1-CZ 4.01Å; F48-F52 HydrophobicContact CG-CZ 4.49Å; F48-F52 WeakPolarHBondContact O-CD2 3.4Å; F48-F52 VanDerWaalsContact O-CG 3.27Å; F48-F52 WeakPolarHBondContact O-CG 3.33Å; F48-F52 PolarHBondContact O-N 2.89Å; F48-A64 HydrophobicContact CD1-CB 3.72Å; F48-A64 HydrophobicContact CE1-CB 3.57Å; F48-L68 HydrophobicContact CB-CD1 4.33Å; F48-L68 HydrophobicContact CD1-CD1 4.31Å; F48-L68 HydrophobicContact CD2-CD2 3.81Å; F48-L68 HydrophobicContact CD2-CG 4.4Å; F48-L68 HydrophobicContact CE2-CD2 3.99Å; F48-L68 HydrophobicContact CG-CD1 4.15Å; F48-L68 HydrophobicContact CG-CD2 4.22Å; F48-L68 HydrophobicContact CG-CG 4.4Å; F48-V86 HydrophobicContact CB-CG1 4.07Å |
| 49 | P | 93.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -39.9 | 174.3 | -27.1 | 34.8 | 0 | 0 | 0 | 113.1 | V46 F52 Q53 V86 Q89 | V46-P49 WeakPolarHBondContact O-CD 3.35Å; P49-F52 PolarHBondContact O-N 3.27Å; P49-Q53 VanDerWaalsContact O-CG 3.31Å; P49-Q53 WeakPolarHBondContact O-CG 3.37Å; P49-Q53 PolarHBondContact O-N 3.22Å; P49-V86 HydrophobicContact CG-CB 4.34Å; P49-V86 HydrophobicContact CG-CG1 3.99Å; P49-V86 HydrophobicContact CG-CG2 3.99Å; P49-Q89 HydrophobicContact CB-CG 4.39Å |
| 50 | K | 88.5 | Confident | 89.2 | Confident | 97 Ų | 97 | 36.4 Ų | 36.4 | 42% | 0.422 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68 | -39.4 | 176.2 | -66.3 | -172.9 | 174.1 | -167.1 | 0 | 111.7 | L10 L47 F48 F52 Q53 K54 | L10-K50 HydrophobicContact CB-CB 4.13Å; L10-K50 HydrophobicContact CB-CD 3.96Å; L10-K50 HydrophobicContact CD1-CB 4.15Å; L10-K50 HydrophobicContact CD2-CB 4.32Å; L10-K50 HydrophobicContact CG-CB 4.44Å; L47-K50 HydrophobicContact CD2-CD 4.27Å; L47-K50 WeakPolarHBondContact O-CB 3.48Å; L47-K50 PolarHBondContact O-N 3.44Å; L47-K50 VanDerWaalsContact O-N 3.14Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.04Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-F52 PolarHBondContact O-N 2.73Å; K50-Q53 PolarHBondContact O-N 3.25Å; K50-K54 WeakPolarHBondContact O-CB 3.38Å; K50-K54 PolarHBondContact O-N 3.49Å |
| 51 | L | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 173.4 | -172.6 | 80.8 | 0 | 0 | 0 | 111.1 | A25 L26 L29 L47 F48 K54 Y55 L60 | A25-L51 HydrophobicContact CB-CD1 3.65Å; L26-L51 HydrophobicContact CB-CD2 4.49Å; L26-L51 HydrophobicContact CD1-CD2 4.06Å; L29-L51 HydrophobicContact CD1-CB 4.27Å; L29-L51 HydrophobicContact CD1-CD1 4.49Å; L29-L51 HydrophobicContact CD1-CD2 4.1Å; L47-L51 PolarHBondContact O-N 3.13Å; F48-L51 HydrophobicContact CD1-CD2 4.17Å; F48-L51 HydrophobicContact CE1-CD2 4.39Å; F48-L51 WeakPolarHBondContact O-CA 3.5Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 3.3Å; L51-K54 PolarHBondContact O-N 3.02Å; L51-Y55 HydrophobicContact CD1-CD2 3.91Å; L51-Y55 HydrophobicContact CD1-CE2 4.31Å; L51-Y55 HydrophobicContact CG-CD2 4.5Å; L51-Y55 PolarHBondContact O-N 3.46Å; L51-L60 HydrophobicContact CD2-CD2 4.22Å; L51-L60 HydrophobicContact CD2-CG 4.49Å; L51-L60 HydrophobicContact CG-CD2 4.16Å |
| 52 | F | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.9 | -59.9 | -32.6 | 0 | 0 | 0 | 113.3 | F48 P49 K50 Y55 P56 I61 A64 F65 L68 V86 H93 | F48-F52 HydrophobicContact CB-CE2 4.03Å; F48-F52 HydrophobicContact CB-CZ 4.09Å; F48-F52 HydrophobicContact CD1-CE1 4.23Å; F48-F52 HydrophobicContact CD1-CZ 4.01Å; F48-F52 HydrophobicContact CG-CZ 4.49Å; F48-F52 WeakPolarHBondContact O-CD2 3.4Å; F48-F52 VanDerWaalsContact O-CG 3.27Å; F48-F52 WeakPolarHBondContact O-CG 3.33Å; F48-F52 PolarHBondContact O-N 2.89Å; P49-F52 PolarHBondContact O-N 3.27Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-F52 PolarHBondContact O-N 2.73Å; F52-Y55 CarbonylContact O-C 3.6Å; F52-P56 WeakPolarHBondContact O-CA 3.4Å; F52-I61 HydrophobicContact CD1-CG1 3.9Å; F52-I61 HydrophobicContact CE1-CG1 4.36Å; F52-A64 HydrophobicContact CE1-CB 3.46Å; F52-A64 VanDerWaalsContact CE1-CB 3.46Å; F52-A64 HydrophobicContact CZ-CB 3.86Å; F52-F65 HydrophobicContact CE1-CE2 4.47Å; F52-F65 HydrophobicContact CE2-CE1 4.42Å; F52-F65 AromaticContact CE2-CE2 3.89Å; F52-F65 HydrophobicContact CE2-CE2 3.89Å; F52-F65 AromaticContact CE2-CZ 3.8Å; F52-F65 HydrophobicContact CE2-CZ 3.8Å; F52-F65 HydrophobicContact CZ-CD2 4.07Å; F52-F65 AromaticContact CZ-CE2 3.83Å; F52-F65 HydrophobicContact CZ-CE2 3.83Å; F52-F65 HydrophobicContact CZ-CZ 4.1Å; F52-L68 HydrophobicContact CZ-CD1 4.2Å; F52-V86 HydrophobicContact CE2-CG1 4.3Å; F52-H93 PolarHBondContact O-CE1 2.83Å |
| 53 | Q | 84.1 | Confident | 89.2 | Confident | 112 Ų | 112 | 33.9 Ų | 33.9 | 52% | 0.523 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.3 | -72.8 | 174.9 | 3.4 | 0 | 0 | 111.6 | P49 K50 | P49-Q53 VanDerWaalsContact O-CG 3.31Å; P49-Q53 WeakPolarHBondContact O-CG 3.37Å; P49-Q53 PolarHBondContact O-N 3.22Å; K50-Q53 PolarHBondContact O-N 3.25Å |
| 54 | K | 82.6 | Confident | 89.3 | Confident | 89 Ų | 89 | 32 Ų | 32 | 39% | 0.387 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -73.4 | -39.1 | -179.2 | -167.1 | 171.2 | -176.2 | -178.9 | 0 | 112.6 | F9 L10 K50 L51 | F9-K54 PolarHBondContact O-NZ 3.32Å; L10-K54 HydrophobicContact CD2-CD 4.16Å; K50-K54 WeakPolarHBondContact O-CB 3.38Å; K50-K54 PolarHBondContact O-N 3.49Å; L51-K54 PolarHBondContact O-N 3.02Å |
| 55 | Y | 83.7 | Confident | 89.5 | Confident | 30 Ų | 30 | 32 Ų | 32 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | trans | -130.2 | 78.2 | -175.3 | -54.2 | -73.1 | 0 | 0 | 0 | 111.3 | L20 A22 L51 F52 F57 L60 | L20-Y55 PolarHBondContact O-OH 3.25Å; A22-Y55 HydrophobicContact CB-CD1 3.65Å; A22-Y55 HydrophobicContact CB-CD2 4.07Å; A22-Y55 HydrophobicContact CB-CE1 3.97Å; A22-Y55 HydrophobicContact CB-CE2 4.37Å; A22-Y55 HydrophobicContact CB-CG 3.69Å; L51-Y55 HydrophobicContact CD1-CD2 3.91Å; L51-Y55 HydrophobicContact CD1-CE2 4.31Å; L51-Y55 HydrophobicContact CG-CD2 4.5Å; L51-Y55 PolarHBondContact O-N 3.46Å; F52-Y55 CarbonylContact O-C 3.6Å; Y55-F57 PolarHBondContact O-N 2.94Å; Y55-L60 HydrophobicContact CD2-CD2 4.42Å; Y55-L60 HydrophobicContact CG-CD2 4.21Å | ||
| 56 | P | 83.4 | Confident | 89.6 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | trans | -78.5 | 34.5 | -173.4 | 33.2 | -38.4 | 0 | 0 | 0 | 114.1 | F52 V834 | F52-P56 WeakPolarHBondContact O-CA 3.4Å; P56-V834 HydrophobicContact CB-CG1 3.99Å; P56-V834 HydrophobicContact CG-CB 4.31Å; P56-V834 HydrophobicContact CG-CG1 3.66Å; P56-V834 HydrophobicContact CG-CG2 4.35Å; P56-V834 WeakPolarHBondContact O-CG2 3.48Å | ||
| 57 | F | 81.9 | Confident | 89.7 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | trans | -85.6 | 134.5 | -175.8 | -62.1 | -64.3 | 0 | 0 | 0 | 112.3 | Y55 I59 L60 I61 K805 | Y55-F57 PolarHBondContact O-N 2.94Å; F57-I59 VanDerWaalsContact C-N 3.33Å; F57-I59 PolarHBondContact O-N 2.73Å; F57-L60 HydrophobicContact CB-CB 4.37Å; F57-L60 PolarHBondContact O-N 2.97Å; F57-I61 WeakPolarHBondContact O-CB 3.32Å; F57-I61 WeakPolarHBondContact O-CG1 3.45Å; F57-I61 PolarHBondContact O-N 2.77Å; F57-K805 HydrophobicContact CE1-CD 4.03Å; F57-K805 HydrophobicContact CE1-CG 4.42Å; F57-K805 HydrophobicContact CZ-CD 3.69Å; F57-K805 HydrophobicContact CZ-CG 4.5Å | ||
| 58 | P | 82.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.5 | -42.2 | -177.6 | -25.7 | 32.1 | 0 | 0 | 0 | 114.3 | L60 I61 N62 K96 L98 Y887 | P58-L60 VanDerWaalsContact C-N 3.35Å; P58-L60 PolarHBondContact O-N 3.03Å; P58-I61 PolarHBondContact O-N 3.34Å; P58-N62 WeakPolarHBondContact O-CB 3.4Å; P58-N62 PolarHBondContact O-N 2.99Å; P58-K96 HydrophobicContact CB-CB 4.41Å; P58-L98 HydrophobicContact CB-CD2 4.23Å; P58-L98 HydrophobicContact CB-CG 4.46Å; P58-Y887 HydrophobicContact CG-CD2 3.95Å; P58-Y887 HydrophobicContact CG-CE1 4.38Å; P58-Y887 HydrophobicContact CG-CE2 3.18Å; P58-Y887 VanDerWaalsContact CG-CZ 3.43Å; P58-Y887 WeakPolarHBondContact CG-OH 3.45Å |
| 59 | I | 84.4 | Confident | 90 | Very high | 112 Ų | 112 | 31.1 Ų | 31.1 | 57% | 0.574 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -62.2 | -44.6 | -178.8 | -58.6 | 171.9 | 0 | 0 | 0 | 110.9 | F57 S63 | F57-I59 VanDerWaalsContact C-N 3.33Å; F57-I59 PolarHBondContact O-N 2.73Å; I59-S63 WeakPolarHBondContact O-CB 3.49Å; I59-S63 PolarHBondContact O-N 3.45Å; I59-S63 PolarHBondContact O-OG 3.42Å |
| 60 | L | 89.2 | Confident | 90.1 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.7 | -48.2 | 178.6 | -172 | 80.1 | 0 | 0 | 0 | 110.9 | A22 L26 L51 Y55 F57 P58 N62 S63 A64 | A22-L60 HydrophobicContact CB-CD1 4.28Å; A22-L60 HydrophobicContact CB-CD2 4.14Å; L26-L60 HydrophobicContact CB-CD1 3.89Å; L26-L60 HydrophobicContact CD2-CD1 3.69Å; L26-L60 HydrophobicContact CG-CD1 4.34Å; L51-L60 HydrophobicContact CD2-CD2 4.22Å; L51-L60 HydrophobicContact CD2-CG 4.49Å; L51-L60 HydrophobicContact CG-CD2 4.16Å; Y55-L60 HydrophobicContact CD2-CD2 4.42Å; Y55-L60 HydrophobicContact CG-CD2 4.21Å; F57-L60 HydrophobicContact CB-CB 4.37Å; F57-L60 PolarHBondContact O-N 2.97Å; P58-L60 VanDerWaalsContact C-N 3.35Å; P58-L60 PolarHBondContact O-N 3.03Å; L60-N62 PolarHBondContact O-N 3.22Å; L60-S63 PolarHBondContact O-N 3.09Å; L60-A64 VanDerWaalsContact O-CB 3.3Å; L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 3.38Å |
| 61 | I | 90.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 179.6 | -71.3 | 171.7 | 0 | 0 | 0 | 110.3 | F52 F57 P58 S63 A64 F65 H93 K96 | F52-I61 HydrophobicContact CD1-CG1 3.9Å; F52-I61 HydrophobicContact CE1-CG1 4.36Å; F57-I61 WeakPolarHBondContact O-CB 3.32Å; F57-I61 WeakPolarHBondContact O-CG1 3.45Å; F57-I61 PolarHBondContact O-N 2.77Å; P58-I61 PolarHBondContact O-N 3.34Å; I61-S63 PolarHBondContact O-N 3.49Å; I61-A64 PolarHBondContact O-N 2.99Å; I61-F65 HydrophobicContact CG2-CD2 3.49Å; I61-F65 VanDerWaalsContact CG2-CD2 3.49Å; I61-F65 HydrophobicContact CG2-CE2 3.61Å; I61-F65 WeakPolarHBondContact O-CD2 3.32Å; I61-F65 PolarHBondContact O-N 2.72Å; I61-H93 HydrophobicContact CD1-CB 4.08Å; I61-H93 HydrophobicContact CG2-CB 4.36Å; I61-K96 HydrophobicContact CB-CB 4.37Å; I61-K96 HydrophobicContact CD1-CB 3.94Å; I61-K96 HydrophobicContact CD1-CD 3.59Å; I61-K96 HydrophobicContact CD1-CG 4.3Å; I61-K96 HydrophobicContact CG2-CB 4.08Å |
| 62 | N | 92.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.6 | -50.1 | 175.4 | -178.5 | 59.8 | 0 | 0 | 0 | 111.5 | P58 L60 A64 F65 L66 L98 N99 | P58-N62 WeakPolarHBondContact O-CB 3.4Å; P58-N62 PolarHBondContact O-N 2.99Å; L60-N62 PolarHBondContact O-N 3.22Å; N62-A64 VanDerWaalsContact C-N 3.34Å; N62-A64 PolarHBondContact O-N 3.3Å; N62-F65 PolarHBondContact O-N 2.77Å; N62-L66 WeakPolarHBondContact O-CB 3.41Å; N62-L66 VanDerWaalsContact O-CG 3.28Å; N62-L66 WeakPolarHBondContact O-CG 3.25Å; N62-L66 PolarHBondContact O-N 3.49Å; N62-L98 HydrophobicContact CB-CB 4.3Å; N62-L98 HydrophobicContact CB-CD1 4.47Å; N62-L98 HydrophobicContact CB-CG 4.18Å; N62-L98 PolarHBondContact OD1-N 2.99Å; N62-N99 PolarHBondContact ND2-ND2 3.46Å; N62-N99 PolarHBondContact OD1-N 3.01Å |
| 63 | S | 93.8 | Very high | 91.1 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.2 | -42 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | I59 L60 I61 K67 | I59-S63 WeakPolarHBondContact O-CB 3.49Å; I59-S63 PolarHBondContact O-N 3.45Å; I59-S63 PolarHBondContact O-OG 3.42Å; L60-S63 PolarHBondContact O-N 3.09Å; I61-S63 PolarHBondContact O-N 3.49Å; S63-K67 WeakPolarHBondContact O-CG 3.42Å; S63-K67 PolarHBondContact O-N 3.42Å |
| 64 | A | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L26 F48 F52 L60 I61 N62 L66 K67 L68 | L26-A64 HydrophobicContact CD1-CB 4.02Å; F48-A64 HydrophobicContact CD1-CB 3.72Å; F48-A64 HydrophobicContact CE1-CB 3.57Å; F52-A64 HydrophobicContact CE1-CB 3.46Å; F52-A64 VanDerWaalsContact CE1-CB 3.46Å; F52-A64 HydrophobicContact CZ-CB 3.86Å; L60-A64 VanDerWaalsContact O-CB 3.3Å; L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 3.38Å; I61-A64 PolarHBondContact O-N 2.99Å; N62-A64 VanDerWaalsContact C-N 3.34Å; N62-A64 PolarHBondContact O-N 3.3Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.02Å; A64-K67 WeakPolarHBondContact O-CB 3.41Å; A64-K67 PolarHBondContact O-N 3.5Å; A64-L68 WeakPolarHBondContact O-CG 3.42Å; A64-L68 PolarHBondContact O-N 3.47Å |
| 65 | F | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 176.4 | -86.9 | -68.6 | 0 | 0 | 0 | 112.2 | F52 I61 N62 K67 L68 A69 H93 L94 I97 F103 | F52-F65 HydrophobicContact CE1-CE2 4.47Å; F52-F65 HydrophobicContact CE2-CE1 4.42Å; F52-F65 AromaticContact CE2-CE2 3.89Å; F52-F65 HydrophobicContact CE2-CE2 3.89Å; F52-F65 AromaticContact CE2-CZ 3.8Å; F52-F65 HydrophobicContact CE2-CZ 3.8Å; F52-F65 HydrophobicContact CZ-CD2 4.07Å; F52-F65 AromaticContact CZ-CE2 3.83Å; F52-F65 HydrophobicContact CZ-CE2 3.83Å; F52-F65 HydrophobicContact CZ-CZ 4.1Å; I61-F65 HydrophobicContact CG2-CD2 3.49Å; I61-F65 VanDerWaalsContact CG2-CD2 3.49Å; I61-F65 HydrophobicContact CG2-CE2 3.61Å; I61-F65 WeakPolarHBondContact O-CD2 3.32Å; I61-F65 PolarHBondContact O-N 2.72Å; N62-F65 PolarHBondContact O-N 2.77Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 2.88Å; F65-L68 HydrophobicContact CD1-CD1 4.11Å; F65-L68 HydrophobicContact CE1-CD1 4.36Å; F65-L68 PolarHBondContact O-N 3.17Å; F65-A69 WeakPolarHBondContact O-CB 3.34Å; F65-A69 PolarHBondContact O-N 3.3Å; F65-H93 HydrophobicContact CE2-CB 4.47Å; F65-L94 HydrophobicContact CE1-CD2 3.74Å; F65-L94 HydrophobicContact CE2-CD2 4.15Å; F65-L94 HydrophobicContact CZ-CD2 3.49Å; F65-L94 VanDerWaalsContact CZ-CD2 3.49Å; F65-I97 HydrophobicContact CB-CD1 3.92Å; F65-I97 HydrophobicContact CB-CG1 4.07Å; F65-I97 HydrophobicContact CD1-CD1 4.11Å; F65-I97 HydrophobicContact CD2-CD1 3.66Å; F65-I97 HydrophobicContact CD2-CG1 3.6Å; F65-I97 HydrophobicContact CE2-CD1 4.16Å; F65-I97 HydrophobicContact CE2-CG1 4.26Å; F65-I97 HydrophobicContact CG-CD1 3.63Å; F65-I97 HydrophobicContact CG-CG1 3.96Å; F65-F103 HydrophobicContact CB-CD2 4Å; F65-F103 HydrophobicContact CB-CE2 3.86Å; F65-F103 AromaticContact CD1-CE2 3.92Å; F65-F103 HydrophobicContact CD1-CE2 3.92Å; F65-F103 HydrophobicContact CD1-CZ 4.05Å; F65-F103 HydrophobicContact CG-CE2 4.33Å; F65-F103 VanDerWaalsContact O-CD2 3.28Å; F65-F103 WeakPolarHBondContact O-CD2 3.42Å; F65-F103 VanDerWaalsContact O-CE2 3.23Å; F65-F103 WeakPolarHBondContact O-CE2 3.45Å |
| 66 | L | 96.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 173.6 | -72.8 | 173.1 | 0 | 0 | 0 | 112.2 | N62 A64 A69 D70 N99 E102 F103 R106 | N62-L66 WeakPolarHBondContact O-CB 3.41Å; N62-L66 VanDerWaalsContact O-CG 3.28Å; N62-L66 WeakPolarHBondContact O-CG 3.25Å; N62-L66 PolarHBondContact O-N 3.49Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.02Å; L66-A69 PolarHBondContact O-N 3.39Å; L66-D70 PolarHBondContact O-N 3.1Å; L66-D70 VanDerWaalsContact O-N 3.1Å; L66-N99 HydrophobicContact CD1-CB 4.19Å; L66-N99 HydrophobicContact CD2-CB 4.3Å; L66-E102 HydrophobicContact CD2-CB 4.32Å; L66-E102 HydrophobicContact CD2-CG 4.16Å; L66-F103 HydrophobicContact CD2-CB 4.11Å; L66-R106 PolarHBondContact O-NH1 2.94Å |
| 67 | K | 95.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 173.4 | -70.3 | 173.4 | 179.8 | -61.1 | 0 | 112 | L26 D30 L33 S63 A64 F65 A69 D70 I71 | L26-K67 HydrophobicContact CD1-CD 4.23Å; D30-K67 HydrophobicContact CB-CD 4.25Å; D30-K67 IonicContact OD1-NZ 3.97Å; D30-K67 PolarHBondContact OD1-NZ 3.36Å; D30-K67 IonicContact OD2-NZ 2.65Å; D30-K67 PolarHBondContact OD2-NZ 2.97Å; L33-K67 HydrophobicContact CD1-CB 4.16Å; S63-K67 WeakPolarHBondContact O-CG 3.42Å; S63-K67 PolarHBondContact O-N 3.42Å; A64-K67 WeakPolarHBondContact O-CB 3.41Å; A64-K67 PolarHBondContact O-N 3.5Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 2.88Å; K67-A69 VanDerWaalsContact C-N 3.28Å; K67-A69 PolarHBondContact O-N 3Å; K67-D70 WeakPolarHBondContact O-CB 3.32Å; K67-D70 PolarHBondContact O-N 3.49Å; K67-I71 WeakPolarHBondContact O-CG1 3.32Å; K67-I71 PolarHBondContact O-N 3.08Å; K67-I71 VanDerWaalsContact O-N 3.1Å |
| 68 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 175.1 | -72.6 | 171.5 | 0 | 0 | 0 | 111.7 | V45 F48 F52 A64 F65 I71 F72 V83 V86 | V45-L68 HydrophobicContact CG1-CD2 4.22Å; V45-L68 HydrophobicContact CG2-CD2 4.24Å; F48-L68 HydrophobicContact CB-CD1 4.33Å; F48-L68 HydrophobicContact CD1-CD1 4.31Å; F48-L68 HydrophobicContact CD2-CD2 3.81Å; F48-L68 HydrophobicContact CD2-CG 4.4Å; F48-L68 HydrophobicContact CE2-CD2 3.99Å; F48-L68 HydrophobicContact CG-CD1 4.15Å; F48-L68 HydrophobicContact CG-CD2 4.22Å; F48-L68 HydrophobicContact CG-CG 4.4Å; F52-L68 HydrophobicContact CZ-CD1 4.2Å; A64-L68 WeakPolarHBondContact O-CG 3.42Å; A64-L68 PolarHBondContact O-N 3.47Å; F65-L68 HydrophobicContact CD1-CD1 4.11Å; F65-L68 HydrophobicContact CE1-CD1 4.36Å; F65-L68 PolarHBondContact O-N 3.17Å; L68-I71 PolarHBondContact O-N 2.81Å; L68-F72 WeakPolarHBondContact O-CB 3.18Å; L68-F72 PolarHBondContact O-N 3.21Å; L68-V83 HydrophobicContact CB-CG1 3.97Å; L68-V83 HydrophobicContact CD2-CG1 4.45Å; L68-V83 HydrophobicContact CD2-CG2 4.09Å; L68-V86 HydrophobicContact CD1-CG1 3.97Å |
| 69 | A | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -34.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F65 L66 K67 I71 F72 R73 F103 R106 V107 | F65-A69 WeakPolarHBondContact O-CB 3.34Å; F65-A69 PolarHBondContact O-N 3.3Å; L66-A69 PolarHBondContact O-N 3.39Å; K67-A69 VanDerWaalsContact C-N 3.28Å; K67-A69 PolarHBondContact O-N 3Å; A69-I71 VanDerWaalsContact C-N 3.35Å; A69-F72 PolarHBondContact O-N 2.72Å; A69-R73 WeakPolarHBondContact O-CB 3.25Å; A69-R73 PolarHBondContact O-N 3.25Å; A69-F103 HydrophobicContact CB-CD2 3.48Å; A69-F103 VanDerWaalsContact CB-CD2 3.48Å; A69-F103 HydrophobicContact CB-CE2 3.69Å; A69-F103 HydrophobicContact CB-CG 4.4Å; A69-R106 HydrophobicContact CB-CB 3.88Å; A69-V107 HydrophobicContact CB-CG2 4.32Å |
| 70 | D | 95.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 172.5 | -76.7 | -40.7 | 0 | 0 | 0 | 111.4 | L66 K67 R73 L74 R106 | L66-D70 PolarHBondContact O-N 3.1Å; L66-D70 VanDerWaalsContact O-N 3.1Å; K67-D70 WeakPolarHBondContact O-CB 3.32Å; K67-D70 PolarHBondContact O-N 3.49Å; D70-R73 PolarHBondContact O-N 3.47Å; D70-R73 IonicContact OD1-CZ 2.88Å; D70-R73 IonicContact OD1-NH2 2.75Å; D70-R73 PolarHBondContact OD1-NH2 3.46Å; D70-L74 PolarHBondContact O-N 2.88Å; D70-L74 VanDerWaalsContact O-N 3.1Å; D70-R106 IonicContact OD1-CZ 2.91Å; D70-R106 IonicContact OD1-NE 2.8Å; D70-R106 IonicContact OD1-NH1 3.3Å; D70-R106 PolarHBondContact OD1-NH1 3.44Å; D70-R106 IonicContact OD2-CZ 3.21Å; D70-R106 IonicContact OD2-NH1 2.73Å; D70-R106 PolarHBondContact OD2-NH1 3.02Å |
| 71 | I | 96.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 14% | 0.138 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 174.6 | -62.3 | -65.1 | 0 | 0 | 0 | 111.5 | L33 V45 K67 L68 A69 R73 G75 L79 V83 | L33-I71 HydrophobicContact CB-CD1 4.05Å; L33-I71 HydrophobicContact CB-CG1 4.3Å; L33-I71 HydrophobicContact CD1-CG1 4.07Å; L33-I71 HydrophobicContact CD2-CD1 4.45Å; L33-I71 HydrophobicContact CD2-CG1 4.08Å; L33-I71 HydrophobicContact CG-CG1 4.38Å; V45-I71 HydrophobicContact CG2-CG2 4.43Å; K67-I71 WeakPolarHBondContact O-CG1 3.32Å; K67-I71 PolarHBondContact O-N 3.08Å; K67-I71 VanDerWaalsContact O-N 3.1Å; L68-I71 PolarHBondContact O-N 2.81Å; A69-I71 VanDerWaalsContact C-N 3.35Å; I71-R73 VanDerWaalsContact C-N 3.35Å; I71-R73 PolarHBondContact O-N 3.08Å; I71-G75 VanDerWaalsContact O-CA 3.24Å; I71-G75 WeakPolarHBondContact O-CA 3.42Å; I71-G75 PolarHBondContact O-N 2.99Å; I71-L79 HydrophobicContact CG2-CB 4.21Å; I71-L79 HydrophobicContact CG2-CD1 4.36Å; I71-L79 HydrophobicContact CG2-CD2 4.49Å; I71-V83 HydrophobicContact CG2-CG2 4.25Å |
| 72 | F | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.6 | -170.3 | -86.1 | 0 | 0 | 0 | 111.9 | L68 A69 R80 V83 V107 V110 I121 T122 M125 | L68-F72 WeakPolarHBondContact O-CB 3.18Å; L68-F72 PolarHBondContact O-N 3.21Å; A69-F72 PolarHBondContact O-N 2.72Å; F72-R80 HydrophobicContact CD2-CB 3.92Å; F72-R80 HydrophobicContact CD2-CG 4.02Å; F72-R80 HydrophobicContact CE2-CB 3.74Å; F72-R80 HydrophobicContact CE2-CG 4.11Å; F72-R80 HydrophobicContact CG-CG 4.25Å; F72-R80 HydrophobicContact CZ-CB 4.31Å; F72-R80 HydrophobicContact CZ-CG 4.41Å; F72-R80 VanDerWaalsContact O-CG 3.32Å; F72-R80 WeakPolarHBondContact O-CG 3.48Å; F72-R80 PolarHBondContact O-NE 3.25Å; F72-V83 HydrophobicContact CB-CG1 4.37Å; F72-V83 HydrophobicContact CD2-CB 4.16Å; F72-V83 HydrophobicContact CD2-CG1 4.16Å; F72-V107 HydrophobicContact CD1-CB 4.39Å; F72-V107 HydrophobicContact CD1-CG1 4.28Å; F72-V107 HydrophobicContact CD1-CG2 4.28Å; F72-V107 HydrophobicContact CE1-CG1 3.97Å; F72-V107 HydrophobicContact CZ-CG1 4.48Å; F72-V110 HydrophobicContact CD1-CG2 3.97Å; F72-V110 HydrophobicContact CE1-CB 4.13Å; F72-V110 HydrophobicContact CE1-CG1 4.49Å; F72-V110 HydrophobicContact CE1-CG2 3.98Å; F72-I121 HydrophobicContact CE2-CG2 3.82Å; F72-I121 HydrophobicContact CZ-CG2 4.04Å; F72-T122 HydrophobicContact CE1-CG2 4.36Å; F72-M125 HydrophobicContact CD2-CE 3.71Å; F72-M125 HydrophobicContact CE2-CB 4.22Å; F72-M125 HydrophobicContact CE2-CE 3.67Å; F72-M125 HydrophobicContact CE2-CG 4.37Å; F72-M125 HydrophobicContact CZ-CB 4.1Å; F72-M125 HydrophobicContact CZ-CG 4.41Å |
| 73 | R | 96.8 | Very high | 96 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 37% | 0.37 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -51.8 | 179.7 | -179.4 | 174 | 61 | 168.2 | -6.2 | 111.8 | A69 D70 I71 R80 S109 | A69-R73 WeakPolarHBondContact O-CB 3.25Å; A69-R73 PolarHBondContact O-N 3.25Å; D70-R73 PolarHBondContact O-N 3.47Å; D70-R73 IonicContact OD1-CZ 2.88Å; D70-R73 IonicContact OD1-NH2 2.75Å; D70-R73 PolarHBondContact OD1-NH2 3.46Å; I71-R73 VanDerWaalsContact C-N 3.35Å; I71-R73 PolarHBondContact O-N 3.08Å; R73-R80 PolarHBondContact O-NH2 2.89Å; R73-S109 WeakPolarHBondContact CG-OG 3.36Å |
| 74 | L | 93.5 | Very high | 96.2 | Very high | 140 Ų | 140 | 36.5 Ų | 36.5 | 73% | 0.733 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -93.6 | -19.4 | -170.4 | -60 | 176.2 | 0 | 0 | 0 | 114.4 | D70 | D70-L74 PolarHBondContact O-N 2.88Å; D70-L74 VanDerWaalsContact O-N 3.1Å |
| 75 | G | 91.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -75.7 | 170.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I71 R80 | I71-G75 VanDerWaalsContact O-CA 3.24Å; I71-G75 WeakPolarHBondContact O-CA 3.42Å; I71-G75 PolarHBondContact O-N 2.99Å; G75-R80 PolarHBondContact O-NE 3.21Å; G75-R80 PolarHBondContact O-NH1 3.4Å; G75-R80 PolarHBondContact O-NH2 2.9Å |
| 76 | N | 94.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | trans | -75.8 | 170.9 | 171.1 | 66.2 | 21.4 | 0 | 0 | 0 | 111.6 | L38 F78 L79 R80 | L38-N76 WeakPolarHBondContact CD1-ND2 3.12Å; N76-F78 PolarHBondContact O-N 2.76Å; N76-F78 VanDerWaalsContact O-N 3.16Å; N76-F78 PolarHBondContact OD1-N 2.89Å; N76-L79 PolarHBondContact O-N 3.44Å; N76-L79 PolarHBondContact OD1-N 2.86Å; N76-R80 WeakPolarHBondContact O-CG 3.45Å; N76-R80 PolarHBondContact O-N 3.13Å | ||
| 77 | N | 96.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -29 | -178.7 | -71.3 | -16.1 | 0 | 0 | 0 | 113.8 | R80 L81 D115 V117 I121 | N77-R80 PolarHBondContact O-N 3.47Å; N77-R80 PolarHBondContact OD1-NH1 3.2Å; N77-L81 WeakPolarHBondContact O-CB 3.3Å; N77-L81 PolarHBondContact O-N 2.69Å; N77-D115 PolarHBondContact ND2-OD2 2.93Å; N77-V117 HydrophobicContact CB-CG1 4.38Å; N77-I121 HydrophobicContact CB-CD1 4.06Å; N77-I121 WeakPolarHBondContact O-CD1 3.32Å |
| 78 | F | 96.1 | Very high | 96.3 | Very high | 120 Ų | 120 | 41.5 Ų | 41.5 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.1 | -47.5 | 176.8 | -172.5 | -107 | 0 | 0 | 0 | 111.6 | C42 N76 R80 L81 C82 | C42-F78 HydrophobicContact CB-CE1 4.27Å; C42-F78 VanDerWaalsContact SG-CD1 3.51Å; C42-F78 WeakPolarHBondContact SG-CE1 3.4Å; N76-F78 PolarHBondContact O-N 2.76Å; N76-F78 VanDerWaalsContact O-N 3.16Å; N76-F78 PolarHBondContact OD1-N 2.89Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.5Å; F78-L81 WeakPolarHBondContact O-CB 3.27Å; F78-L81 PolarHBondContact O-N 3.28Å; F78-C82 PolarHBondContact O-N 2.91Å; F78-C82 PolarHBondContact O-SG 3.45Å; F78-C82 VanDerWaalsContact O-SG 3.36Å |
| 79 | L | 95.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.5 | -73.2 | 169.6 | 0 | 0 | 0 | 111.8 | L38 Q41 C42 I71 N76 L81 C82 V83 | L38-L79 HydrophobicContact CD1-CD1 3.79Å; L38-L79 HydrophobicContact CD1-CD2 4.06Å; L38-L79 HydrophobicContact CD1-CG 3.68Å; Q41-L79 HydrophobicContact CB-CD2 3.85Å; C42-L79 WeakPolarHBondContact SG-CD2 3.16Å; I71-L79 HydrophobicContact CG2-CB 4.21Å; I71-L79 HydrophobicContact CG2-CD1 4.36Å; I71-L79 HydrophobicContact CG2-CD2 4.49Å; N76-L79 PolarHBondContact O-N 3.44Å; N76-L79 PolarHBondContact OD1-N 2.86Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 3.16Å; L79-C82 WeakPolarHBondContact O-CB 3.48Å; L79-C82 PolarHBondContact O-N 3.22Å; L79-C82 VanDerWaalsContact O-N 3.16Å; L79-V83 WeakPolarHBondContact O-CG2 3.27Å; L79-V83 PolarHBondContact O-N 3.47Å |
| 80 | R | 97.6 | Very high | 96 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 175 | -68.1 | 176.7 | -177 | 128.7 | 1.3 | 111.8 | F72 R73 G75 N76 N77 F78 V83 L84 I121 | F72-R80 HydrophobicContact CD2-CB 3.92Å; F72-R80 HydrophobicContact CD2-CG 4.02Å; F72-R80 HydrophobicContact CE2-CB 3.74Å; F72-R80 HydrophobicContact CE2-CG 4.11Å; F72-R80 HydrophobicContact CG-CG 4.25Å; F72-R80 HydrophobicContact CZ-CB 4.31Å; F72-R80 HydrophobicContact CZ-CG 4.41Å; F72-R80 VanDerWaalsContact O-CG 3.32Å; F72-R80 WeakPolarHBondContact O-CG 3.48Å; F72-R80 PolarHBondContact O-NE 3.25Å; R73-R80 PolarHBondContact O-NH2 2.89Å; G75-R80 PolarHBondContact O-NE 3.21Å; G75-R80 PolarHBondContact O-NH1 3.4Å; G75-R80 PolarHBondContact O-NH2 2.9Å; N76-R80 WeakPolarHBondContact O-CG 3.45Å; N76-R80 PolarHBondContact O-N 3.13Å; N77-R80 PolarHBondContact O-N 3.47Å; N77-R80 PolarHBondContact OD1-NH1 3.2Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.5Å; R80-V83 PolarHBondContact O-N 3.05Å; R80-L84 WeakPolarHBondContact O-CB 3.32Å; R80-L84 PolarHBondContact O-N 3.43Å; R80-I121 HydrophobicContact CB-CD1 4.34Å; R80-I121 HydrophobicContact CB-CG2 3.79Å |
| 81 | L | 97.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.4 | -178.4 | 62.9 | 0 | 0 | 0 | 111.7 | N77 F78 L79 V83 L84 K85 I121 | N77-L81 WeakPolarHBondContact O-CB 3.3Å; N77-L81 PolarHBondContact O-N 2.69Å; F78-L81 WeakPolarHBondContact O-CB 3.27Å; F78-L81 PolarHBondContact O-N 3.28Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 3.16Å; L81-V83 PolarHBondContact O-N 3.31Å; L81-L84 HydrophobicContact CD1-CD2 4.22Å; L81-L84 WeakPolarHBondContact O-CB 3.44Å; L81-L84 PolarHBondContact O-N 2.91Å; L81-K85 WeakPolarHBondContact O-CG 3.15Å; L81-K85 PolarHBondContact O-N 3.36Å; L81-I121 HydrophobicContact CB-CD1 4.3Å |
| 82 | C | 97.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 174.6 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | V45 F78 L79 L84 K85 V86 | V45-C82 HydrophobicContact CB-CB 4.43Å; V45-C82 HydrophobicContact CG1-CB 3.73Å; F78-C82 PolarHBondContact O-N 2.91Å; F78-C82 PolarHBondContact O-SG 3.45Å; F78-C82 VanDerWaalsContact O-SG 3.36Å; L79-C82 WeakPolarHBondContact O-CB 3.48Å; L79-C82 PolarHBondContact O-N 3.22Å; L79-C82 VanDerWaalsContact O-N 3.16Å; C82-L84 PolarHBondContact O-N 3.4Å; C82-K85 PolarHBondContact O-N 3.09Å; C82-V86 WeakPolarHBondContact O-CG2 3.24Å; C82-V86 PolarHBondContact O-N 2.96Å |
| 83 | V | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | V45 L68 I71 F72 L79 R80 L81 K85 V86 T87 M125 | V45-V83 HydrophobicContact CG1-CG2 3.96Å; V45-V83 HydrophobicContact CG2-CG2 4.22Å; L68-V83 HydrophobicContact CB-CG1 3.97Å; L68-V83 HydrophobicContact CD2-CG1 4.45Å; L68-V83 HydrophobicContact CD2-CG2 4.09Å; I71-V83 HydrophobicContact CG2-CG2 4.25Å; F72-V83 HydrophobicContact CB-CG1 4.37Å; F72-V83 HydrophobicContact CD2-CB 4.16Å; F72-V83 HydrophobicContact CD2-CG1 4.16Å; L79-V83 WeakPolarHBondContact O-CG2 3.27Å; L79-V83 PolarHBondContact O-N 3.47Å; R80-V83 PolarHBondContact O-N 3.05Å; L81-V83 PolarHBondContact O-N 3.31Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 3.12Å; V83-V86 PolarHBondContact O-N 2.86Å; V83-T87 PolarHBondContact O-N 3.24Å; V83-T87 PolarHBondContact O-OG1 3.03Å; V83-T87 VanDerWaalsContact O-OG1 3.05Å; V83-M125 HydrophobicContact CB-CE 4.42Å; V83-M125 HydrophobicContact CG1-CE 3.77Å |
| 84 | L | 97.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.5 | -46.7 | 172.4 | 171.4 | 63.9 | 0 | 0 | 0 | 111.9 | R80 L81 C82 V86 T87 Q88 I121 R124 M125 | R80-L84 WeakPolarHBondContact O-CB 3.32Å; R80-L84 PolarHBondContact O-N 3.43Å; L81-L84 HydrophobicContact CD1-CD2 4.22Å; L81-L84 WeakPolarHBondContact O-CB 3.44Å; L81-L84 PolarHBondContact O-N 2.91Å; C82-L84 PolarHBondContact O-N 3.4Å; L84-V86 VanDerWaalsContact C-N 3.34Å; L84-V86 PolarHBondContact O-N 2.71Å; L84-T87 PolarHBondContact O-N 2.87Å; L84-Q88 HydrophobicContact CD1-CG 4.12Å; L84-Q88 WeakPolarHBondContact O-CG 3.48Å; L84-Q88 PolarHBondContact O-N 3.39Å; L84-I121 HydrophobicContact CB-CG2 4.33Å; L84-I121 HydrophobicContact CD2-CG2 4.17Å; L84-R124 HydrophobicContact CD1-CB 4.04Å; L84-R124 HydrophobicContact CD2-CB 3.59Å; L84-R124 HydrophobicContact CG-CB 4.49Å; L84-M125 VanDerWaalsContact CA-CE 3.5Å; L84-M125 HydrophobicContact CB-CE 4.09Å; L84-M125 HydrophobicContact CD1-CB 4.21Å; L84-M125 HydrophobicContact CD1-CE 4.48Å; L84-M125 HydrophobicContact CD1-SD 4.46Å |
| 85 | K | 97.8 | Very high | 94.2 | Very high | 119 Ų | 119 | 46.5 Ų | 46.5 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 178.4 | -68.2 | -59.4 | -179.1 | -172.8 | 0 | 112.3 | L81 C82 V83 Q88 Q89 | L81-K85 WeakPolarHBondContact O-CG 3.15Å; L81-K85 PolarHBondContact O-N 3.36Å; C82-K85 PolarHBondContact O-N 3.09Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 3.12Å; K85-Q88 PolarHBondContact O-N 3.34Å; K85-Q89 VanDerWaalsContact O-CB 3.3Å; K85-Q89 WeakPolarHBondContact O-CB 3.34Å; K85-Q89 PolarHBondContact O-N 3.11Å |
| 86 | V | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.9 | 167.2 | 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 3.3Å; V45-V86 WeakPolarHBondContact O-CG2 3.41Å; F48-V86 HydrophobicContact CB-CG1 4.07Å; P49-V86 HydrophobicContact CG-CB 4.34Å; P49-V86 HydrophobicContact CG-CG1 3.99Å; P49-V86 HydrophobicContact CG-CG2 3.99Å; F52-V86 HydrophobicContact CE2-CG1 4.3Å; L68-V86 HydrophobicContact CD1-CG1 3.97Å; C82-V86 WeakPolarHBondContact O-CG2 3.24Å; C82-V86 PolarHBondContact O-N 2.96Å; V83-V86 PolarHBondContact O-N 2.86Å; L84-V86 VanDerWaalsContact C-N 3.34Å; L84-V86 PolarHBondContact O-N 2.71Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-S90 WeakPolarHBondContact O-CB 3.32Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 PolarHBondContact O-OG 3.33Å |
| 87 | T | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -48 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111 | V83 L84 Q89 S90 E91 L94 M125 L129 | V83-T87 PolarHBondContact O-N 3.24Å; V83-T87 PolarHBondContact O-OG1 3.03Å; V83-T87 VanDerWaalsContact O-OG1 3.05Å; L84-T87 PolarHBondContact O-N 2.87Å; T87-Q89 PolarHBondContact O-N 2.92Å; T87-S90 CarbonylContact O-C 3.54Å; T87-S90 PolarHBondContact O-N 3.05Å; T87-E91 PolarHBondContact O-N 3.14Å; T87-L94 HydrophobicContact CG2-CD1 4.2Å; T87-L94 HydrophobicContact CG2-CD2 3.79Å; T87-M125 HydrophobicContact CG2-SD 3.74Å; T87-M125 PolarHBondContact OG1-SD 3.01Å; T87-L129 HydrophobicContact CG2-CD2 3.85Å |
| 88 | Q | 95.3 | Very high | 93.2 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 178.4 | -72.1 | 179.1 | -21.1 | 0 | 0 | 112.6 | L84 K85 S90 S128 | L84-Q88 HydrophobicContact CD1-CG 4.12Å; L84-Q88 WeakPolarHBondContact O-CG 3.48Å; L84-Q88 PolarHBondContact O-N 3.39Å; K85-Q88 PolarHBondContact O-N 3.34Å; Q88-S90 VanDerWaalsContact C-N 3.26Å; Q88-S90 PolarHBondContact O-N 3.4Å; Q88-S128 WeakPolarHBondContact CG-OG 3.43Å; Q88-S128 PolarHBondContact NE2-OG 2.85Å |
| 89 | Q | 94.8 | Very high | 93 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 59% | 0.593 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -69.7 | -25.9 | 177 | -175.1 | 178.5 | 4.3 | 0 | 0 | 112.6 | P49 K85 V86 T87 | P49-Q89 HydrophobicContact CB-CG 4.39Å; K85-Q89 VanDerWaalsContact O-CB 3.3Å; K85-Q89 WeakPolarHBondContact O-CB 3.34Å; K85-Q89 PolarHBondContact O-N 3.11Å; V86-Q89 PolarHBondContact O-N 2.97Å; T87-Q89 PolarHBondContact O-N 2.92Å |
| 90 | S | 93.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 26 | -172.7 | -47.4 | 0 | 0 | 0 | 0 | 112.5 | V86 T87 Q88 K92 H93 | V86-S90 WeakPolarHBondContact O-CB 3.32Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 PolarHBondContact O-OG 3.33Å; T87-S90 CarbonylContact O-C 3.54Å; T87-S90 PolarHBondContact O-N 3.05Å; Q88-S90 VanDerWaalsContact C-N 3.26Å; Q88-S90 PolarHBondContact O-N 3.4Å; S90-K92 VanDerWaalsContact C-N 3.27Å; S90-K92 PolarHBondContact O-N 3.32Å; S90-H93 WeakPolarHBondContact O-CB 3.17Å; S90-H93 PolarHBondContact O-N 3.44Å |
| 91 | E | 90.9 | Very high | 92.8 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 57% | 0.565 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -49.7 | -44.8 | -175.8 | -175.4 | -179 | -174.5 | 0 | 0 | 112.8 | T87 H93 L94 | T87-E91 PolarHBondContact O-N 3.14Å; E91-H93 PolarHBondContact O-N 3.34Å; E91-L94 HydrophobicContact CG-CD1 4.37Å; E91-L94 WeakPolarHBondContact O-CB 3.43Å; E91-L94 WeakPolarHBondContact O-CG 3.44Å; E91-L94 PolarHBondContact O-N 3.14Å |
| 92 | K | 87.6 | Confident | 92.7 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -59.7 | -11.5 | 177.9 | 68.8 | 178.1 | -175.7 | 174.1 | 0 | 115.3 | S90 | S90-K92 VanDerWaalsContact C-N 3.27Å; S90-K92 PolarHBondContact O-N 3.32Å |
| 93 | H | 89.2 | Confident | 92.6 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -103.2 | -7.6 | 179.6 | -63.1 | -67.4 | 0 | 0 | 0 | 113 | F52 I61 F65 S90 E91 E95 K96 | F52-H93 PolarHBondContact O-CE1 2.83Å; I61-H93 HydrophobicContact CD1-CB 4.08Å; I61-H93 HydrophobicContact CG2-CB 4.36Å; F65-H93 HydrophobicContact CE2-CB 4.47Å; S90-H93 WeakPolarHBondContact O-CB 3.17Å; S90-H93 PolarHBondContact O-N 3.44Å; E91-H93 PolarHBondContact O-N 3.34Å; H93-E95 PolarHBondContact O-N 3.05Å; H93-K96 WeakPolarHBondContact O-CB 3.33Å; H93-K96 PolarHBondContact O-N 3.45Å; H93-K96 VanDerWaalsContact O-N 3.1Å |
| 94 | L | 89.6 | Confident | 92.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -66.5 | -35.7 | -171.3 | -65.8 | 176.8 | 0 | 0 | 0 | 113.6 | F65 T87 E91 K96 I97 S128 L129 I132 | F65-L94 HydrophobicContact CE1-CD2 3.74Å; F65-L94 HydrophobicContact CE2-CD2 4.15Å; F65-L94 HydrophobicContact CZ-CD2 3.49Å; F65-L94 VanDerWaalsContact CZ-CD2 3.49Å; T87-L94 HydrophobicContact CG2-CD1 4.2Å; T87-L94 HydrophobicContact CG2-CD2 3.79Å; E91-L94 HydrophobicContact CG-CD1 4.37Å; E91-L94 WeakPolarHBondContact O-CB 3.43Å; E91-L94 WeakPolarHBondContact O-CG 3.44Å; E91-L94 PolarHBondContact O-N 3.14Å; L94-K96 PolarHBondContact O-N 3.48Å; L94-I97 HydrophobicContact CD2-CD1 4.12Å; L94-I97 WeakPolarHBondContact O-CB 3.4Å; L94-I97 WeakPolarHBondContact O-CD1 3.29Å; L94-I97 WeakPolarHBondContact O-CG1 3.4Å; L94-I97 PolarHBondContact O-N 2.92Å; L94-I97 VanDerWaalsContact O-N 3.16Å; L94-S128 VanDerWaalsContact CD1-O 3.31Å; L94-S128 WeakPolarHBondContact CD1-O 3.37Å; L94-L129 HydrophobicContact CD1-CD2 4.21Å; L94-L129 HydrophobicContact CD2-CD2 4.04Å; L94-I132 HydrophobicContact CB-CG2 4.08Å |
| 95 | E | 84.1 | Confident | 92.5 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -68.4 | -13.3 | 176.7 | -70.4 | 150.6 | -166.9 | 0 | 0 | 113.3 | H93 I97 I132 H884 N885 | H93-E95 PolarHBondContact O-N 3.05Å; E95-I97 PolarHBondContact O-N 2.84Å; E95-I132 HydrophobicContact CB-CG2 4.48Å; E95-I132 HydrophobicContact CG-CG2 3.83Å; E95-H884 IonicContact OE1-CE1 3Å; E95-H884 PolarHBondContact OE1-CE1 3.2Å; E95-H884 IonicContact OE1-ND1 3.77Å; E95-H884 PolarHBondContact OE1-ND1 2.84Å; E95-H884 IonicContact OE2-CE1 2.62Å; E95-H884 PolarHBondContact OE2-CE1 3.18Å; E95-H884 VanDerWaalsContact OE2-CE1 3.25Å; E95-H884 IonicContact OE2-CG 3.87Å; E95-H884 IonicContact OE2-ND1 2.89Å; E95-H884 PolarHBondContact OE2-ND1 3.43Å; E95-N885 PolarHBondContact OE1-ND2 3.45Å; E95-N885 WeakPolarHBondContact OE2-CB 3.34Å; E95-N885 PolarHBondContact OE2-ND2 3.41Å |
| 96 | K | 86 | Confident | 92.4 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -83.7 | 2.8 | 177.4 | -47 | -177.3 | -170.3 | -166.2 | 0 | 111.6 | P58 I61 H93 L94 N885 Y887 | P58-K96 HydrophobicContact CB-CB 4.41Å; I61-K96 HydrophobicContact CB-CB 4.37Å; I61-K96 HydrophobicContact CD1-CB 3.94Å; I61-K96 HydrophobicContact CD1-CD 3.59Å; I61-K96 HydrophobicContact CD1-CG 4.3Å; I61-K96 HydrophobicContact CG2-CB 4.08Å; H93-K96 WeakPolarHBondContact O-CB 3.33Å; H93-K96 PolarHBondContact O-N 3.45Å; H93-K96 VanDerWaalsContact O-N 3.1Å; L94-K96 PolarHBondContact O-N 3.48Å; K96-N885 PolarHBondContact NZ-O 2.98Å; K96-Y887 HydrophobicContact CD-CG 4.4Å; K96-Y887 HydrophobicContact CG-CG 4.34Å |
| 97 | I | 89.1 | Confident | 92.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | trans | -78.9 | 117.5 | 173.7 | -60.8 | 170.8 | 0 | 0 | 0 | 108.9 | F65 L94 E95 V100 F103 I132 | F65-I97 HydrophobicContact CB-CD1 3.92Å; F65-I97 HydrophobicContact CB-CG1 4.07Å; F65-I97 HydrophobicContact CD1-CD1 4.11Å; F65-I97 HydrophobicContact CD2-CD1 3.66Å; F65-I97 HydrophobicContact CD2-CG1 3.6Å; F65-I97 HydrophobicContact CE2-CD1 4.16Å; F65-I97 HydrophobicContact CE2-CG1 4.26Å; F65-I97 HydrophobicContact CG-CD1 3.63Å; F65-I97 HydrophobicContact CG-CG1 3.96Å; L94-I97 HydrophobicContact CD2-CD1 4.12Å; L94-I97 WeakPolarHBondContact O-CB 3.4Å; L94-I97 WeakPolarHBondContact O-CD1 3.29Å; L94-I97 WeakPolarHBondContact O-CG1 3.4Å; L94-I97 PolarHBondContact O-N 2.92Å; L94-I97 VanDerWaalsContact O-N 3.16Å; E95-I97 PolarHBondContact O-N 2.84Å; I97-V100 HydrophobicContact CB-CG2 4.39Å; I97-V100 HydrophobicContact CG2-CG2 4.14Å; I97-V100 VanDerWaalsContact O-CG2 3.3Å; I97-V100 WeakPolarHBondContact O-CG2 3.39Å; I97-F103 HydrophobicContact CD1-CD1 4.44Å; I97-F103 HydrophobicContact CD1-CE1 4.37Å; I97-F103 HydrophobicContact CG2-CB 4.49Å; I97-I132 HydrophobicContact CD1-CD1 4.18Å | ||
| 98 | L | 86.7 | Confident | 92.5 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 46% | 0.461 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -81.7 | -42.7 | -179 | -54.9 | 176.5 | 0 | 0 | 0 | 111.8 | P58 N62 V100 | P58-L98 HydrophobicContact CB-CD2 4.23Å; P58-L98 HydrophobicContact CB-CG 4.46Å; N62-L98 HydrophobicContact CB-CB 4.3Å; N62-L98 HydrophobicContact CB-CD1 4.47Å; N62-L98 HydrophobicContact CB-CG 4.18Å; N62-L98 PolarHBondContact OD1-N 2.99Å; L98-V100 PolarHBondContact O-N 3.46Å |
| 99 | N | 92.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | trans | -96.9 | 59.1 | -175.8 | -67.5 | -28.2 | 0 | 0 | 0 | 111.4 | N62 L66 D101 E102 F103 | N62-N99 PolarHBondContact ND2-ND2 3.46Å; N62-N99 PolarHBondContact OD1-N 3.01Å; L66-N99 HydrophobicContact CD1-CB 4.19Å; L66-N99 HydrophobicContact CD2-CB 4.3Å; N99-D101 VanDerWaalsContact C-N 3.33Å; N99-D101 PolarHBondContact O-N 2.88Å; N99-E102 PolarHBondContact O-N 3.44Å; N99-F103 PolarHBondContact O-N 3.24Å; N99-F103 VanDerWaalsContact O-N 3.14Å | ||
| 100 | V | 93.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -43.8 | -175.7 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | I97 L98 E102 F103 V104 I132 I133 | I97-V100 HydrophobicContact CB-CG2 4.39Å; I97-V100 HydrophobicContact CG2-CG2 4.14Å; I97-V100 VanDerWaalsContact O-CG2 3.3Å; I97-V100 WeakPolarHBondContact O-CG2 3.39Å; L98-V100 PolarHBondContact O-N 3.46Å; V100-E102 PolarHBondContact O-N 2.83Å; V100-F103 PolarHBondContact O-N 2.86Å; V100-V104 HydrophobicContact CG1-CG2 3.95Å; V100-V104 WeakPolarHBondContact O-CB 3.25Å; V100-V104 WeakPolarHBondContact O-CG2 3.32Å; V100-V104 PolarHBondContact O-N 3.38Å; V100-I132 HydrophobicContact CG1-CD1 4.23Å; V100-I133 HydrophobicContact CG1-CG2 3.52Å |
| 101 | D | 93.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 54% | 0.54 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.8 | -47.3 | -178.7 | -75.9 | 51.8 | 0 | 0 | 0 | 113 | N99 K105 R136 | N99-D101 VanDerWaalsContact C-N 3.33Å; N99-D101 PolarHBondContact O-N 2.88Å; D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 PolarHBondContact O-N 3.19Å; D101-R136 IonicContact OD1-CZ 2.77Å; D101-R136 IonicContact OD1-NH1 3.32Å; D101-R136 IonicContact OD1-NH2 3.51Å; D101-R136 PolarHBondContact OD1-NH2 2.95Å; D101-R136 IonicContact OD2-CZ 3.29Å; D101-R136 IonicContact OD2-NH1 2.59Å; D101-R136 PolarHBondContact OD2-NH1 2.87Å; D101-R136 IonicContact OD2-NH2 3.08Å; D101-R136 PolarHBondContact OD2-NH2 3.42Å |
| 102 | E | 95.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -71.4 | -40 | -178.3 | -179.1 | 57.7 | -161 | 0 | 0 | 111.3 | L66 N99 V100 K105 R106 | L66-E102 HydrophobicContact CD2-CB 4.32Å; L66-E102 HydrophobicContact CD2-CG 4.16Å; N99-E102 PolarHBondContact O-N 3.44Å; V100-E102 PolarHBondContact O-N 2.83Å; E102-K105 PolarHBondContact O-N 3.19Å; E102-R106 WeakPolarHBondContact O-CG 3.45Å; E102-R106 PolarHBondContact O-N 3.28Å; E102-R106 IonicContact OE1-CZ 3.81Å; E102-R106 IonicContact OE1-NE 3.55Å; E102-R106 PolarHBondContact OE1-NE 3.41Å; E102-R106 IonicContact OE1-NH2 2.85Å; E102-R106 PolarHBondContact OE1-NH2 3.48Å |
| 103 | F | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 173.4 | 175.6 | -101.3 | 0 | 0 | 0 | 111.3 | F65 L66 A69 I97 N99 V100 R106 V107 L129 | F65-F103 HydrophobicContact CB-CD2 4Å; F65-F103 HydrophobicContact CB-CE2 3.86Å; F65-F103 AromaticContact CD1-CE2 3.92Å; F65-F103 HydrophobicContact CD1-CE2 3.92Å; F65-F103 HydrophobicContact CD1-CZ 4.05Å; F65-F103 HydrophobicContact CG-CE2 4.33Å; F65-F103 VanDerWaalsContact O-CD2 3.28Å; F65-F103 WeakPolarHBondContact O-CD2 3.42Å; F65-F103 VanDerWaalsContact O-CE2 3.23Å; F65-F103 WeakPolarHBondContact O-CE2 3.45Å; L66-F103 HydrophobicContact CD2-CB 4.11Å; A69-F103 HydrophobicContact CB-CD2 3.48Å; A69-F103 VanDerWaalsContact CB-CD2 3.48Å; A69-F103 HydrophobicContact CB-CE2 3.69Å; A69-F103 HydrophobicContact CB-CG 4.4Å; I97-F103 HydrophobicContact CD1-CD1 4.44Å; I97-F103 HydrophobicContact CD1-CE1 4.37Å; I97-F103 HydrophobicContact CG2-CB 4.49Å; N99-F103 PolarHBondContact O-N 3.24Å; N99-F103 VanDerWaalsContact O-N 3.14Å; V100-F103 PolarHBondContact O-N 2.86Å; F103-R106 PolarHBondContact O-N 3.11Å; F103-V107 HydrophobicContact CE1-CG2 4.34Å; F103-V107 HydrophobicContact CE2-CG2 4.48Å; F103-V107 HydrophobicContact CZ-CG2 4.2Å; F103-V107 PolarHBondContact O-N 3.1Å; F103-V107 VanDerWaalsContact O-N 3.15Å; F103-L129 HydrophobicContact CD1-CD1 4.36Å; F103-L129 HydrophobicContact CE1-CD1 3.56Å; F103-L129 HydrophobicContact CE1-CD2 3.68Å; F103-L129 HydrophobicContact CE1-CG 4.26Å; F103-L129 HydrophobicContact CZ-CD1 4.39Å; F103-L129 HydrophobicContact CZ-CD2 4.29Å |
| 104 | V | 96.2 | Very high | 93.4 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | -178.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V100 R106 V107 F108 I133 | V100-V104 HydrophobicContact CG1-CG2 3.95Å; V100-V104 WeakPolarHBondContact O-CB 3.25Å; V100-V104 WeakPolarHBondContact O-CG2 3.32Å; V100-V104 PolarHBondContact O-N 3.38Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 2.93Å; V104-V107 PolarHBondContact O-N 3.23Å; V104-F108 WeakPolarHBondContact O-CB 3.43Å; V104-F108 PolarHBondContact O-N 3.45Å; V104-I133 HydrophobicContact CG1-CD1 4.23Å; V104-I133 HydrophobicContact CG2-CD1 4.12Å; V104-I133 HydrophobicContact CG2-CG2 3.77Å |
| 105 | K | 96.4 | Very high | 93.8 | Very high | 148 Ų | 148 | 54.9 Ų | 54.9 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57 | -42.8 | 176.4 | -178.2 | -178.8 | 177.6 | -175.9 | 0 | 112.1 | D101 E102 S109 | D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 PolarHBondContact O-N 3.19Å; E102-K105 PolarHBondContact O-N 3.19Å; K105-S109 PolarHBondContact O-N 3.4Å; K105-S109 VanDerWaalsContact O-N 3.1Å |
| 106 | R | 97.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 177.7 | -69.5 | 168.3 | -169 | -162.4 | -5.1 | 111.9 | L66 A69 D70 E102 F103 V104 S109 | L66-R106 PolarHBondContact O-NH1 2.94Å; A69-R106 HydrophobicContact CB-CB 3.88Å; D70-R106 IonicContact OD1-CZ 2.91Å; D70-R106 IonicContact OD1-NE 2.8Å; D70-R106 IonicContact OD1-NH1 3.3Å; D70-R106 PolarHBondContact OD1-NH1 3.44Å; D70-R106 IonicContact OD2-CZ 3.21Å; D70-R106 IonicContact OD2-NH1 2.73Å; D70-R106 PolarHBondContact OD2-NH1 3.02Å; E102-R106 WeakPolarHBondContact O-CG 3.45Å; E102-R106 PolarHBondContact O-N 3.28Å; E102-R106 IonicContact OE1-CZ 3.81Å; E102-R106 IonicContact OE1-NE 3.55Å; E102-R106 PolarHBondContact OE1-NE 3.41Å; E102-R106 IonicContact OE1-NH2 2.85Å; E102-R106 PolarHBondContact OE1-NH2 3.48Å; F103-R106 PolarHBondContact O-N 3.11Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 2.93Å; R106-S109 PolarHBondContact O-OG 2.95Å |
| 107 | V | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -50 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | A69 F72 F103 V104 S109 V110 T122 M125 L126 | A69-V107 HydrophobicContact CB-CG2 4.32Å; F72-V107 HydrophobicContact CD1-CB 4.39Å; F72-V107 HydrophobicContact CD1-CG1 4.28Å; F72-V107 HydrophobicContact CD1-CG2 4.28Å; F72-V107 HydrophobicContact CE1-CG1 3.97Å; F72-V107 HydrophobicContact CZ-CG1 4.48Å; F103-V107 HydrophobicContact CE1-CG2 4.34Å; F103-V107 HydrophobicContact CE2-CG2 4.48Å; F103-V107 HydrophobicContact CZ-CG2 4.2Å; F103-V107 PolarHBondContact O-N 3.1Å; F103-V107 VanDerWaalsContact O-N 3.15Å; V104-V107 PolarHBondContact O-N 3.23Å; V107-S109 VanDerWaalsContact C-N 3.27Å; V107-S109 PolarHBondContact O-N 2.97Å; V107-V110 PolarHBondContact O-N 3.05Å; V107-T122 HydrophobicContact CG1-CG2 4.29Å; V107-M125 HydrophobicContact CG1-CB 4.14Å; V107-M125 HydrophobicContact CG1-CG 3.49Å; V107-M125 VanDerWaalsContact CG1-CG 3.49Å; V107-M125 HydrophobicContact CG2-CG 4.3Å; V107-L126 HydrophobicContact CG1-CD2 4.35Å |
| 108 | F | 96.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -29.5 | -175.1 | -166.6 | -92.3 | 0 | 0 | 0 | 112.6 | V104 V110 I111 H112 L126 N138 S142 | V104-F108 WeakPolarHBondContact O-CB 3.43Å; V104-F108 PolarHBondContact O-N 3.45Å; F108-V110 PolarHBondContact O-N 3.04Å; F108-I111 HydrophobicContact CD1-CG2 3.98Å; F108-I111 HydrophobicContact CD2-CG2 4.35Å; F108-I111 HydrophobicContact CE1-CG2 3.77Å; F108-I111 HydrophobicContact CE2-CG2 4.15Å; F108-I111 HydrophobicContact CG-CG2 4.28Å; F108-I111 HydrophobicContact CZ-CG2 3.88Å; F108-I111 WeakPolarHBondContact O-CB 3.43Å; F108-I111 WeakPolarHBondContact O-CG2 3.4Å; F108-I111 PolarHBondContact O-N 2.83Å; F108-H112 AromaticContact CE1-NE2 3.62Å; F108-L126 HydrophobicContact CD2-CD1 3.99Å; F108-L126 HydrophobicContact CD2-CD2 4.29Å; F108-L126 HydrophobicContact CE2-CD1 4.25Å; F108-N138 HydrophobicContact CE1-CB 4.36Å; F108-N138 HydrophobicContact CE2-CB 4.23Å; F108-N138 HydrophobicContact CZ-CB 3.84Å; F108-S142 VanDerWaalsContact CZ-OG 3.24Å; F108-S142 WeakPolarHBondContact CZ-OG 3.48Å |
| 109 | S | 96.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 54.2 Ų | 54.2 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -56.3 | -22.6 | 177.8 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | R73 K105 R106 V107 | R73-S109 WeakPolarHBondContact CG-OG 3.36Å; K105-S109 PolarHBondContact O-N 3.4Å; K105-S109 VanDerWaalsContact O-N 3.1Å; R106-S109 PolarHBondContact O-OG 2.95Å; V107-S109 VanDerWaalsContact C-N 3.27Å; V107-S109 PolarHBondContact O-N 2.97Å |
| 110 | V | 96.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -79.9 | -18.9 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | F72 V107 F108 H112 S113 A118 T122 | F72-V110 HydrophobicContact CD1-CG2 3.97Å; F72-V110 HydrophobicContact CE1-CB 4.13Å; F72-V110 HydrophobicContact CE1-CG1 4.49Å; F72-V110 HydrophobicContact CE1-CG2 3.98Å; V107-V110 PolarHBondContact O-N 3.05Å; F108-V110 PolarHBondContact O-N 3.04Å; V110-H112 PolarHBondContact O-N 3.08Å; V110-S113 VanDerWaalsContact O-CB 3.22Å; V110-S113 WeakPolarHBondContact O-CB 3.02Å; V110-S113 PolarHBondContact O-N 3.35Å; V110-S113 VanDerWaalsContact O-N 3.12Å; V110-A118 HydrophobicContact CG1-CB 4.11Å; V110-T122 WeakPolarHBondContact CG1-OG1 3.38Å |
| 111 | I | 96.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -65.8 | -22.7 | -177.3 | -157.5 | 65.6 | 0 | 0 | 0 | 112.9 | F108 S113 R119 T122 L123 | F108-I111 HydrophobicContact CD1-CG2 3.98Å; F108-I111 HydrophobicContact CD2-CG2 4.35Å; F108-I111 HydrophobicContact CE1-CG2 3.77Å; F108-I111 HydrophobicContact CE2-CG2 4.15Å; F108-I111 HydrophobicContact CG-CG2 4.28Å; F108-I111 HydrophobicContact CZ-CG2 3.88Å; F108-I111 WeakPolarHBondContact O-CB 3.43Å; F108-I111 WeakPolarHBondContact O-CG2 3.4Å; F108-I111 PolarHBondContact O-N 2.83Å; I111-S113 VanDerWaalsContact C-N 3.26Å; I111-S113 PolarHBondContact O-N 2.89Å; I111-R119 HydrophobicContact CD1-CB 4.42Å; I111-R119 WeakPolarHBondContact O-CD 3.29Å; I111-R119 WeakPolarHBondContact O-CG 3.47Å; I111-T122 HydrophobicContact CB-CG2 4.03Å; I111-T122 HydrophobicContact CD1-CG2 3.87Å; I111-T122 HydrophobicContact CG1-CG2 4.49Å; I111-L123 HydrophobicContact CD1-CD2 4.01Å; I111-L123 HydrophobicContact CD1-CG 3.84Å |
| 112 | H | 94 | Very high | 96.5 | Very high | 140 Ų | 140 | 44.8 Ų | 44.8 | 65% | 0.648 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -87.5 | 9.3 | 179 | -57.2 | -56.7 | 0 | 0 | 0 | 113.2 | F108 V110 | F108-H112 AromaticContact CE1-NE2 3.62Å; V110-H112 PolarHBondContact O-N 3.08Å |
| 113 | S | 94.5 | Very high | 96.7 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | trans | -69.1 | 147.5 | 174.1 | -178 | 0 | 0 | 0 | 0 | 111.7 | V110 I111 D115 R119 | V110-S113 VanDerWaalsContact O-CB 3.22Å; V110-S113 WeakPolarHBondContact O-CB 3.02Å; V110-S113 PolarHBondContact O-N 3.35Å; V110-S113 VanDerWaalsContact O-N 3.12Å; I111-S113 VanDerWaalsContact C-N 3.26Å; I111-S113 PolarHBondContact O-N 2.89Å; S113-D115 PolarHBondContact O-N 2.88Å; S113-D115 PolarHBondContact OG-N 3.27Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; S113-R119 WeakPolarHBondContact O-CD 3.3Å; S113-R119 WeakPolarHBondContact O-CG 3.41Å; S113-R119 PolarHBondContact O-NE 3.25Å | ||
| 114 | N | 93.8 | Very high | 96.8 | Very high | 161 Ų | 161 | 45.3 Ų | 45.3 | 86% | 0.861 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -75 | -9.6 | 171.1 | -64.4 | -27.7 | 0 | 0 | 0 | 113 | P116 | N114-P116 WeakPolarHBondContact O-CD 3.24Š|
| 115 | D | 96.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | -83.4 | 113.4 | 178.9 | 175.6 | 3.3 | 0 | 0 | 0 | 111.1 | N77 S113 V117 A118 R119 | N77-D115 PolarHBondContact ND2-OD2 2.93Å; S113-D115 PolarHBondContact O-N 2.88Å; S113-D115 PolarHBondContact OG-N 3.27Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; D115-V117 PolarHBondContact O-N 3.05Å; D115-V117 WeakPolarHBondContact OD1-CB 3.19Å; D115-V117 PolarHBondContact OD1-N 3.32Å; D115-A118 HydrophobicContact CB-CB 3.92Å; D115-A118 PolarHBondContact O-N 2.94Å; D115-R119 PolarHBondContact O-N 3.18Å | ||
| 116 | P | 96.2 | Very high | 96.9 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 20% | 0.201 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -28.1 | -179.4 | 25.7 | -33.6 | 0 | 0 | 0 | 113.3 | N114 A120 D151 V153 | N114-P116 WeakPolarHBondContact O-CD 3.24Å; P116-A120 WeakPolarHBondContact O-CB 3.42Å; P116-A120 PolarHBondContact O-N 3.38Å; P116-D151 HydrophobicContact CB-CB 3.75Å; P116-D151 VanDerWaalsContact CB-CG 3.48Å; P116-D151 WeakPolarHBondContact CB-OD2 3.33Å; P116-V153 HydrophobicContact CB-CG1 4.36Å |
| 117 | V | 97.5 | Very high | 96.9 | Very high | 63 Ų | 63 | 36 Ų | 36 | 38% | 0.382 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.5 | -41.7 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | N77 D115 A120 I121 | N77-V117 HydrophobicContact CB-CG1 4.38Å; D115-V117 PolarHBondContact O-N 3.05Å; D115-V117 WeakPolarHBondContact OD1-CB 3.19Å; D115-V117 PolarHBondContact OD1-N 3.32Å; V117-A120 PolarHBondContact O-N 3.35Å; V117-I121 HydrophobicContact CG1-CD1 3.98Å; V117-I121 VanDerWaalsContact O-CG1 3.28Å; V117-I121 WeakPolarHBondContact O-CG1 3.47Å; V117-I121 PolarHBondContact O-N 2.78Å |
| 118 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V110 D115 I121 T122 | V110-A118 HydrophobicContact CG1-CB 4.11Å; D115-A118 HydrophobicContact CB-CB 3.92Å; D115-A118 PolarHBondContact O-N 2.94Å; A118-I121 PolarHBondContact O-N 3.13Å; A118-T122 WeakPolarHBondContact O-CB 3.29Å; A118-T122 PolarHBondContact O-N 3.35Å; A118-T122 PolarHBondContact O-OG1 3.18Å |
| 119 | R | 97.8 | Very high | 97 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 174.3 | -68.5 | -171.8 | -72.1 | 143.3 | 3.3 | 112 | I111 S113 D115 I121 T122 L123 D151 E154 | I111-R119 HydrophobicContact CD1-CB 4.42Å; I111-R119 WeakPolarHBondContact O-CD 3.29Å; I111-R119 WeakPolarHBondContact O-CG 3.47Å; S113-R119 WeakPolarHBondContact O-CD 3.3Å; S113-R119 WeakPolarHBondContact O-CG 3.41Å; S113-R119 PolarHBondContact O-NE 3.25Å; D115-R119 PolarHBondContact O-N 3.18Å; R119-I121 PolarHBondContact O-N 2.81Å; R119-T122 CarbonylContact O-C 3.1Å; R119-T122 WeakPolarHBondContact O-CA 3.16Å; R119-T122 WeakPolarHBondContact O-CB 3.33Å; R119-T122 PolarHBondContact O-N 2.9Å; R119-T122 VanDerWaalsContact O-N 3.1Å; R119-L123 WeakPolarHBondContact O-CG 3.34Å; R119-L123 PolarHBondContact O-N 3.26Å; R119-D151 IonicContact NH2-OD2 2.76Å; R119-D151 PolarHBondContact NH2-OD2 3.44Å; R119-E154 HydrophobicContact CB-CG 4.41Å; R119-E154 WeakPolarHBondContact CD-OE1 3.41Å; R119-E154 IonicContact CZ-OE1 2.71Å; R119-E154 IonicContact CZ-OE2 2.76Å; R119-E154 IonicContact NE-OE1 2.67Å; R119-E154 PolarHBondContact NE-OE1 3.26Å; R119-E154 IonicContact NE-OE2 3.92Å; R119-E154 IonicContact NH1-OE1 3.23Å; R119-E154 PolarHBondContact NH1-OE1 2.84Å; R119-E154 IonicContact NH1-OE2 3.05Å; R119-E154 PolarHBondContact NH1-OE2 3.2Å; R119-E154 IonicContact NH2-OE2 2.76Å; R119-E154 PolarHBondContact NH2-OE2 2.56Å |
| 120 | A | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P116 V117 T122 L123 R124 V153 A157 | P116-A120 WeakPolarHBondContact O-CB 3.42Å; P116-A120 PolarHBondContact O-N 3.38Å; V117-A120 PolarHBondContact O-N 3.35Å; A120-T122 VanDerWaalsContact C-N 3.27Å; A120-T122 PolarHBondContact O-N 2.89Å; A120-L123 PolarHBondContact O-N 3.44Å; A120-R124 WeakPolarHBondContact O-CG 3.28Å; A120-R124 PolarHBondContact O-N 2.97Å; A120-V153 HydrophobicContact CB-CG1 4.44Å; A120-V153 HydrophobicContact CB-CG2 4.04Å; A120-V153 WeakPolarHBondContact CB-O 3.37Å; A120-A157 HydrophobicContact CB-CB 3.75Å; A120-A157 WeakPolarHBondContact O-CB 3.45Å |
| 121 | I | 98.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.7 | -65.2 | 165.7 | 0 | 0 | 0 | 110.4 | F72 N77 R80 L81 L84 V117 A118 R119 R124 M125 | F72-I121 HydrophobicContact CE2-CG2 3.82Å; F72-I121 HydrophobicContact CZ-CG2 4.04Å; N77-I121 HydrophobicContact CB-CD1 4.06Å; N77-I121 WeakPolarHBondContact O-CD1 3.32Å; R80-I121 HydrophobicContact CB-CD1 4.34Å; R80-I121 HydrophobicContact CB-CG2 3.79Å; L81-I121 HydrophobicContact CB-CD1 4.3Å; L84-I121 HydrophobicContact CB-CG2 4.33Å; L84-I121 HydrophobicContact CD2-CG2 4.17Å; V117-I121 HydrophobicContact CG1-CD1 3.98Å; V117-I121 VanDerWaalsContact O-CG1 3.28Å; V117-I121 WeakPolarHBondContact O-CG1 3.47Å; V117-I121 PolarHBondContact O-N 2.78Å; A118-I121 PolarHBondContact O-N 3.13Å; R119-I121 PolarHBondContact O-N 2.81Å; I121-R124 PolarHBondContact O-N 2.64Å; I121-M125 WeakPolarHBondContact O-CB 3.46Å; I121-M125 PolarHBondContact O-N 3.48Å |
| 122 | T | 98.3 | 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 | -66.3 | -43.1 | 177.8 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | F72 V107 V110 I111 A118 R119 A120 R124 M125 L126 | F72-T122 HydrophobicContact CE1-CG2 4.36Å; V107-T122 HydrophobicContact CG1-CG2 4.29Å; V110-T122 WeakPolarHBondContact CG1-OG1 3.38Å; I111-T122 HydrophobicContact CB-CG2 4.03Å; I111-T122 HydrophobicContact CD1-CG2 3.87Å; I111-T122 HydrophobicContact CG1-CG2 4.49Å; A118-T122 WeakPolarHBondContact O-CB 3.29Å; A118-T122 PolarHBondContact O-N 3.35Å; A118-T122 PolarHBondContact O-OG1 3.18Å; R119-T122 CarbonylContact O-C 3.1Å; R119-T122 WeakPolarHBondContact O-CA 3.16Å; R119-T122 WeakPolarHBondContact O-CB 3.33Å; R119-T122 PolarHBondContact O-N 2.9Å; R119-T122 VanDerWaalsContact O-N 3.1Å; A120-T122 VanDerWaalsContact C-N 3.27Å; A120-T122 PolarHBondContact O-N 2.89Å; T122-R124 PolarHBondContact O-N 3.19Å; T122-M125 WeakPolarHBondContact O-CB 3.39Å; T122-M125 PolarHBondContact O-N 2.59Å; T122-M125 VanDerWaalsContact O-N 3.15Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 3.08Å |
| 123 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 173.7 | -71.4 | 165.1 | 0 | 0 | 0 | 111.6 | I111 R119 A120 M125 L126 G127 I143 E154 A157 A158 A161 | I111-L123 HydrophobicContact CD1-CD2 4.01Å; I111-L123 HydrophobicContact CD1-CG 3.84Å; R119-L123 WeakPolarHBondContact O-CG 3.34Å; R119-L123 PolarHBondContact O-N 3.26Å; A120-L123 PolarHBondContact O-N 3.44Å; L123-M125 VanDerWaalsContact C-N 3.3Å; L123-M125 PolarHBondContact O-N 3.31Å; L123-L126 PolarHBondContact O-N 3.31Å; L123-G127 PolarHBondContact O-N 2.79Å; L123-I143 HydrophobicContact CD2-CG1 3.91Å; L123-E154 HydrophobicContact CD1-CG 3.71Å; L123-A157 HydrophobicContact CB-CB 3.92Å; L123-A157 HydrophobicContact CD1-CB 4.27Å; L123-A158 HydrophobicContact CD1-CB 4.04Å; L123-A161 HydrophobicContact CB-CB 4.38Å; L123-A161 WeakPolarHBondContact O-CB 3.37Å |
| 124 | R | 98.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 28.5 Ų | 28.5 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 174.1 | -70.8 | -179.3 | 178.5 | -82.5 | 1.2 | 112.5 | L84 A120 I121 T122 S128 A157 F160 | L84-R124 HydrophobicContact CD1-CB 4.04Å; L84-R124 HydrophobicContact CD2-CB 3.59Å; L84-R124 HydrophobicContact CG-CB 4.49Å; A120-R124 WeakPolarHBondContact O-CG 3.28Å; A120-R124 PolarHBondContact O-N 2.97Å; I121-R124 PolarHBondContact O-N 2.64Å; T122-R124 PolarHBondContact O-N 3.19Å; R124-S128 WeakPolarHBondContact O-CB 3.46Å; R124-S128 PolarHBondContact O-N 2.93Å; R124-S128 PolarHBondContact O-OG 2.75Å; R124-A157 HydrophobicContact CG-CB 3.85Å; R124-F160 HydrophobicContact CB-CD1 4.24Å; R124-F160 HydrophobicContact CB-CE1 4.37Å; R124-F160 HydrophobicContact CG-CD1 4.02Å; R124-F160 WeakPolarHBondContact O-CE1 3.5Å |
| 125 | M | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -52.2 | 173.2 | -179.3 | 63.3 | 78.7 | 0 | 0 | 110.2 | F72 V83 L84 T87 V107 I121 T122 L123 G127 S128 L129 | F72-M125 HydrophobicContact CD2-CE 3.71Å; F72-M125 HydrophobicContact CE2-CB 4.22Å; F72-M125 HydrophobicContact CE2-CE 3.67Å; F72-M125 HydrophobicContact CE2-CG 4.37Å; F72-M125 HydrophobicContact CZ-CB 4.1Å; F72-M125 HydrophobicContact CZ-CG 4.41Å; V83-M125 HydrophobicContact CB-CE 4.42Å; V83-M125 HydrophobicContact CG1-CE 3.77Å; L84-M125 VanDerWaalsContact CA-CE 3.5Å; L84-M125 HydrophobicContact CB-CE 4.09Å; L84-M125 HydrophobicContact CD1-CB 4.21Å; L84-M125 HydrophobicContact CD1-CE 4.48Å; L84-M125 HydrophobicContact CD1-SD 4.46Å; T87-M125 HydrophobicContact CG2-SD 3.74Å; T87-M125 PolarHBondContact OG1-SD 3.01Å; V107-M125 HydrophobicContact CG1-CB 4.14Å; V107-M125 HydrophobicContact CG1-CG 3.49Å; V107-M125 VanDerWaalsContact CG1-CG 3.49Å; V107-M125 HydrophobicContact CG2-CG 4.3Å; I121-M125 WeakPolarHBondContact O-CB 3.46Å; I121-M125 PolarHBondContact O-N 3.48Å; T122-M125 WeakPolarHBondContact O-CB 3.39Å; T122-M125 PolarHBondContact O-N 2.59Å; T122-M125 VanDerWaalsContact O-N 3.15Å; L123-M125 VanDerWaalsContact C-N 3.3Å; L123-M125 PolarHBondContact O-N 3.31Å; M125-G127 VanDerWaalsContact C-N 3.32Å; M125-G127 PolarHBondContact O-N 2.9Å; M125-S128 CarbonylContact O-C 3.59Å; M125-S128 WeakPolarHBondContact O-CA 3.29Å; M125-S128 WeakPolarHBondContact O-CB 3.36Å; M125-S128 PolarHBondContact O-N 3.42Å; M125-L129 HydrophobicContact CG-CD1 4.04Å; M125-L129 VanDerWaalsContact O-CG 3.3Å; M125-L129 WeakPolarHBondContact O-CG 3.35Å; M125-L129 PolarHBondContact O-N 3.34Å; M125-L129 VanDerWaalsContact O-N 3.12Å; M125-L129 HydrophobicContact SD-CD1 4.32Å; M125-L129 HydrophobicContact SD-CG 4.44Å |
| 126 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 177.8 | -66.9 | 175.7 | 0 | 0 | 0 | 111.9 | V107 F108 T122 L123 S128 L129 A130 I133 A139 F165 | V107-L126 HydrophobicContact CG1-CD2 4.35Å; F108-L126 HydrophobicContact CD2-CD1 3.99Å; F108-L126 HydrophobicContact CD2-CD2 4.29Å; F108-L126 HydrophobicContact CE2-CD1 4.25Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 3.08Å; L123-L126 PolarHBondContact O-N 3.31Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.44Å; L126-L129 CarbonylContact O-C 3.59Å; L126-L129 WeakPolarHBondContact O-CA 3.44Å; L126-L129 PolarHBondContact O-N 3.07Å; L126-A130 PolarHBondContact O-N 3.33Å; L126-I133 HydrophobicContact CD2-CD1 4.29Å; L126-A139 HydrophobicContact CD1-CB 4.38Å; L126-F165 HydrophobicContact CB-CE2 4.22Å; L126-F165 VanDerWaalsContact O-CE2 3.29Å; L126-F165 WeakPolarHBondContact O-CE2 3.27Å |
| 127 | G | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 M125 L129 A130 S164 | L123-G127 PolarHBondContact O-N 2.79Å; M125-G127 VanDerWaalsContact C-N 3.32Å; M125-G127 PolarHBondContact O-N 2.9Å; G127-L129 PolarHBondContact O-N 2.77Å; G127-A130 VanDerWaalsContact O-CB 3.25Å; G127-A130 WeakPolarHBondContact O-CB 3.18Å; G127-A130 PolarHBondContact O-N 3.18Å; G127-S164 WeakPolarHBondContact O-CB 3.49Å; G127-S164 PolarHBondContact O-OG 3.48Å |
| 128 | S | 97.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 12% | 0.119 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.6 | -13.8 | 176.3 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | Q88 L94 R124 M125 L126 | Q88-S128 WeakPolarHBondContact CG-OG 3.43Å; Q88-S128 PolarHBondContact NE2-OG 2.85Å; L94-S128 VanDerWaalsContact CD1-O 3.31Å; L94-S128 WeakPolarHBondContact CD1-O 3.37Å; R124-S128 WeakPolarHBondContact O-CB 3.46Å; R124-S128 PolarHBondContact O-N 2.93Å; R124-S128 PolarHBondContact O-OG 2.75Å; M125-S128 CarbonylContact O-C 3.59Å; M125-S128 WeakPolarHBondContact O-CA 3.29Å; M125-S128 WeakPolarHBondContact O-CB 3.36Å; M125-S128 PolarHBondContact O-N 3.42Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.44Å |
| 129 | L | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 3.3 | 176.7 | -59 | 170.7 | 0 | 0 | 0 | 112.5 | T87 L94 F103 M125 L126 G127 S131 I132 I133 | T87-L129 HydrophobicContact CG2-CD2 3.85Å; L94-L129 HydrophobicContact CD1-CD2 4.21Å; L94-L129 HydrophobicContact CD2-CD2 4.04Å; F103-L129 HydrophobicContact CD1-CD1 4.36Å; F103-L129 HydrophobicContact CE1-CD1 3.56Å; F103-L129 HydrophobicContact CE1-CD2 3.68Å; F103-L129 HydrophobicContact CE1-CG 4.26Å; F103-L129 HydrophobicContact CZ-CD1 4.39Å; F103-L129 HydrophobicContact CZ-CD2 4.29Å; M125-L129 HydrophobicContact CG-CD1 4.04Å; M125-L129 VanDerWaalsContact O-CG 3.3Å; M125-L129 WeakPolarHBondContact O-CG 3.35Å; M125-L129 PolarHBondContact O-N 3.34Å; M125-L129 VanDerWaalsContact O-N 3.12Å; M125-L129 HydrophobicContact SD-CD1 4.32Å; M125-L129 HydrophobicContact SD-CG 4.44Å; L126-L129 CarbonylContact O-C 3.59Å; L126-L129 WeakPolarHBondContact O-CA 3.44Å; L126-L129 PolarHBondContact O-N 3.07Å; G127-L129 PolarHBondContact O-N 2.77Å; L129-S131 PolarHBondContact O-N 3.45Å; L129-I132 HydrophobicContact CB-CG1 4.2Å; L129-I132 HydrophobicContact CD2-CD1 4.07Å; L129-I132 VanDerWaalsContact O-CG1 3.25Å; L129-I132 WeakPolarHBondContact O-CG1 3.18Å; L129-I132 PolarHBondContact O-N 2.93Å; L129-I133 HydrophobicContact CB-CD1 4.04Å; L129-I133 HydrophobicContact CB-CG1 3.96Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.41Å; L129-I133 VanDerWaalsContact O-N 3.15Å |
| 130 | A | 95.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L126 G127 P134 S164 F165 Q168 | L126-A130 PolarHBondContact O-N 3.33Å; G127-A130 VanDerWaalsContact O-CB 3.25Å; G127-A130 WeakPolarHBondContact O-CB 3.18Å; G127-A130 PolarHBondContact O-N 3.18Å; A130-P134 WeakPolarHBondContact O-CA 3.28Å; A130-P134 WeakPolarHBondContact O-CD 3.36Å; A130-S164 WeakPolarHBondContact CB-O 3.47Å; A130-F165 HydrophobicContact CB-CD1 4.43Å; A130-F165 HydrophobicContact CB-CD2 3.93Å; A130-F165 HydrophobicContact CB-CE2 4.13Å; A130-F165 HydrophobicContact CB-CG 4.1Å; A130-F165 HydrophobicContact CB-CZ 4.47Å; A130-Q168 HydrophobicContact CB-CG 4.33Å |
| 131 | S | 92.6 | Very high | 96.3 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.8 | 175.8 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | L129 | L129-S131 PolarHBondContact O-N 3.45Š|
| 132 | I | 92.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 16% | 0.159 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -15 | -177.3 | 63.4 | 166.2 | 0 | 0 | 0 | 113.7 | L94 E95 I97 V100 L129 P134 | L94-I132 HydrophobicContact CB-CG2 4.08Å; E95-I132 HydrophobicContact CB-CG2 4.48Å; E95-I132 HydrophobicContact CG-CG2 3.83Å; I97-I132 HydrophobicContact CD1-CD1 4.18Å; V100-I132 HydrophobicContact CG1-CD1 4.23Å; L129-I132 HydrophobicContact CB-CG1 4.2Å; L129-I132 HydrophobicContact CD2-CD1 4.07Å; L129-I132 VanDerWaalsContact O-CG1 3.25Å; L129-I132 WeakPolarHBondContact O-CG1 3.18Å; L129-I132 PolarHBondContact O-N 2.93Å; I132-P134 VanDerWaalsContact C-CD 3.42Å |
| 133 | I | 95.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -131.1 | 45.5 | 178.3 | 52.9 | 160.1 | 0 | 0 | 0 | 114.2 | V100 V104 L126 L129 E135 R136 F165 | V100-I133 HydrophobicContact CG1-CG2 3.52Å; V104-I133 HydrophobicContact CG1-CD1 4.23Å; V104-I133 HydrophobicContact CG2-CD1 4.12Å; V104-I133 HydrophobicContact CG2-CG2 3.77Å; L126-I133 HydrophobicContact CD2-CD1 4.29Å; L129-I133 HydrophobicContact CB-CD1 4.04Å; L129-I133 HydrophobicContact CB-CG1 3.96Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.41Å; L129-I133 VanDerWaalsContact O-N 3.15Å; I133-E135 PolarHBondContact O-N 3.26Å; I133-R136 HydrophobicContact CB-CB 4.44Å; I133-R136 HydrophobicContact CB-CG 3.68Å; I133-R136 HydrophobicContact CD1-CG 4.48Å; I133-R136 HydrophobicContact CG2-CG 3.93Å; I133-R136 PolarHBondContact O-N 2.77Å; I133-F165 HydrophobicContact CD1-CZ 4.14Å; I133-F165 HydrophobicContact CG1-CZ 4.3Å; I133-F165 VanDerWaalsContact O-CE1 3.31Å; I133-F165 WeakPolarHBondContact O-CE1 3.31Å | ||
| 134 | P | 95.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.4 | -172.9 | 24.6 | -34.5 | 0 | 0 | 0 | 113.2 | A130 I132 H140 Q168 S169 | A130-P134 WeakPolarHBondContact O-CA 3.28Å; A130-P134 WeakPolarHBondContact O-CD 3.36Å; I132-P134 VanDerWaalsContact C-CD 3.42Å; P134-H140 PolarHBondContact O-CE1 3.27Å; P134-H140 VanDerWaalsContact O-CE1 3.27Å; P134-H140 PolarHBondContact O-NE2 3.28Å; P134-Q168 HydrophobicContact CB-CB 4.12Å; P134-S169 VanDerWaalsContact O-CB 3.31Å; P134-S169 WeakPolarHBondContact O-CB 3.4Å; P134-S169 PolarHBondContact O-OG 3.49Å |
| 135 | E | 95.6 | Very high | 96 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 41% | 0.407 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 12.2 | -172 | -65.6 | -51.6 | 134.1 | 0 | 0 | 115.9 | I133 K137 S169 | I133-E135 PolarHBondContact O-N 3.26Å; E135-K137 PolarHBondContact O-N 3.37Å; E135-K137 IonicContact OE2-NZ 2.77Å; E135-K137 PolarHBondContact OE2-NZ 2.89Å; E135-S169 WeakPolarHBondContact OE1-CB 3.49Å; E135-S169 PolarHBondContact OE1-OG 3.4Å |
| 136 | R | 95.3 | Very high | 96 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | trans | -72 | 99.2 | 178.3 | -71.8 | -70.6 | -173.6 | 176.3 | -2.4 | 111.4 | D101 I133 N138 A139 H140 | D101-R136 IonicContact OD1-CZ 2.77Å; D101-R136 IonicContact OD1-NH1 3.32Å; D101-R136 IonicContact OD1-NH2 3.51Å; D101-R136 PolarHBondContact OD1-NH2 2.95Å; D101-R136 IonicContact OD2-CZ 3.29Å; D101-R136 IonicContact OD2-NH1 2.59Å; D101-R136 PolarHBondContact OD2-NH1 2.87Å; D101-R136 IonicContact OD2-NH2 3.08Å; D101-R136 PolarHBondContact OD2-NH2 3.42Å; I133-R136 HydrophobicContact CB-CB 4.44Å; I133-R136 HydrophobicContact CB-CG 3.68Å; I133-R136 HydrophobicContact CD1-CG 4.48Å; I133-R136 HydrophobicContact CG2-CG 3.93Å; I133-R136 PolarHBondContact O-N 2.77Å; R136-N138 VanDerWaalsContact C-N 3.25Å; R136-N138 PolarHBondContact O-N 3.2Å; R136-A139 HydrophobicContact CB-CB 4.13Å; R136-A139 WeakPolarHBondContact O-CB 3.37Å; R136-A139 PolarHBondContact O-N 2.95Å; R136-H140 PolarHBondContact O-CD2 3.45Å; R136-H140 PolarHBondContact O-N 3.46Å; R136-H140 VanDerWaalsContact O-N 3.09Å | ||
| 137 | K | 95.1 | Very high | 95.8 | Very high | 105 Ų | 105 | 44.7 Ų | 44.7 | 46% | 0.457 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -31.2 | -179 | -54.2 | -50.1 | -172.6 | -167.1 | 0 | 114 | E135 H140 H141 D171 | E135-K137 PolarHBondContact O-N 3.37Å; E135-K137 IonicContact OE2-NZ 2.77Å; E135-K137 PolarHBondContact OE2-NZ 2.89Å; K137-H140 WeakPolarHBondContact O-CB 3.36Å; K137-H140 PolarHBondContact O-N 3.44Å; K137-H141 WeakPolarHBondContact O-CB 3.31Å; K137-H141 PolarHBondContact O-N 2.97Å; K137-D171 IonicContact NZ-OD2 2.99Å; K137-D171 PolarHBondContact NZ-OD2 3.05Å; K137-D171 VanDerWaalsContact NZ-OD2 3.12Å |
| 138 | N | 94.3 | Very high | 95.6 | Very high | 116 Ų | 116 | 48.9 Ų | 48.9 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.2 | -42.5 | 174.1 | -63.4 | 0.3 | 0 | 0 | 0 | 111.8 | F108 R136 H141 S142 | F108-N138 HydrophobicContact CE1-CB 4.36Å; F108-N138 HydrophobicContact CE2-CB 4.23Å; F108-N138 HydrophobicContact CZ-CB 3.84Å; R136-N138 VanDerWaalsContact C-N 3.25Å; R136-N138 PolarHBondContact O-N 3.2Å; N138-H141 PolarHBondContact O-N 3.5Å; N138-S142 PolarHBondContact O-N 2.87Å; N138-S142 PolarHBondContact O-OG 2.72Å |
| 139 | A | 96 | Very high | 95.5 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L126 R136 H141 S142 I143 F165 | L126-A139 HydrophobicContact CD1-CB 4.38Å; R136-A139 HydrophobicContact CB-CB 4.13Å; R136-A139 WeakPolarHBondContact O-CB 3.37Å; R136-A139 PolarHBondContact O-N 2.95Å; A139-H141 VanDerWaalsContact C-N 3.34Å; A139-H141 PolarHBondContact O-N 3.29Å; A139-S142 PolarHBondContact O-N 2.84Å; A139-I143 WeakPolarHBondContact O-CB 3.3Å; A139-I143 WeakPolarHBondContact O-CD1 3.47Å; A139-I143 WeakPolarHBondContact O-CG1 3.29Å; A139-I143 PolarHBondContact O-N 3.14Å; A139-F165 HydrophobicContact CB-CE1 4.27Å; A139-F165 HydrophobicContact CB-CZ 3.87Å |
| 140 | H | 96.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 175.7 | -61.3 | 178.9 | 0 | 0 | 0 | 112.1 | P134 R136 K137 I143 R144 F165 F172 | P134-H140 PolarHBondContact O-CE1 3.27Å; P134-H140 VanDerWaalsContact O-CE1 3.27Å; P134-H140 PolarHBondContact O-NE2 3.28Å; R136-H140 PolarHBondContact O-CD2 3.45Å; R136-H140 PolarHBondContact O-N 3.46Å; R136-H140 VanDerWaalsContact O-N 3.09Å; K137-H140 WeakPolarHBondContact O-CB 3.36Å; K137-H140 PolarHBondContact O-N 3.44Å; H140-I143 PolarHBondContact O-N 2.89Å; H140-R144 WeakPolarHBondContact O-CB 3.16Å; H140-R144 PolarHBondContact O-N 3.46Å; H140-F165 AromaticContact CD2-CD1 3.68Å; H140-F165 AromaticContact CD2-CE1 3.91Å; H140-F165 AromaticContact NE2-CD1 3.65Å; H140-F165 AromaticContact NE2-CE1 3.97Å; H140-F172 HydrophobicContact CB-CD2 3.61Å; H140-F172 HydrophobicContact CB-CE2 3.87Å; H140-F172 AromaticContact CD2-CD2 3.53Å; H140-F172 AromaticContact CG-CD2 3.45Å; H140-F172 VanDerWaalsContact CG-CD2 3.45Å; H140-F172 AromaticContact ND1-CD2 3.96Å |
| 141 | H | 96.3 | Very high | 95.3 | Very high | 124 Ų | 124 | 61.1 Ų | 61.1 | 57% | 0.574 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64 | -48.3 | 179.3 | -177.5 | 68.7 | 0 | 0 | 0 | 111.9 | K137 N138 A139 I143 R144 Q145 | K137-H141 WeakPolarHBondContact O-CB 3.31Å; K137-H141 PolarHBondContact O-N 2.97Å; N138-H141 PolarHBondContact O-N 3.5Å; A139-H141 VanDerWaalsContact C-N 3.34Å; A139-H141 PolarHBondContact O-N 3.29Å; H141-I143 VanDerWaalsContact C-N 3.32Å; H141-I143 PolarHBondContact O-N 3.45Å; H141-R144 PolarHBondContact O-N 2.75Å; H141-Q145 WeakPolarHBondContact O-CB 3.41Å; H141-Q145 PolarHBondContact O-N 3.21Å |
| 142 | S | 96.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 65.2 Ų | 65.2 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 177.3 | -68 | 0 | 0 | 0 | 0 | 112.5 | F108 N138 A139 Q145 S146 | F108-S142 VanDerWaalsContact CZ-OG 3.24Å; F108-S142 WeakPolarHBondContact CZ-OG 3.48Å; N138-S142 PolarHBondContact O-N 2.87Å; N138-S142 PolarHBondContact O-OG 2.72Å; A139-S142 PolarHBondContact O-N 2.84Å; S142-Q145 PolarHBondContact O-N 2.97Å; S142-S146 VanDerWaalsContact O-CB 3.29Å; S142-S146 WeakPolarHBondContact O-CB 3.16Å; S142-S146 PolarHBondContact O-N 3.04Å; S142-S146 PolarHBondContact O-OG 3.33Å |
| 143 | I | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.2 | -67.5 | 163.8 | 0 | 0 | 0 | 110.2 | L123 A139 H140 H141 Q145 S146 L147 A161 A162 F165 F172 | L123-I143 HydrophobicContact CD2-CG1 3.91Å; A139-I143 WeakPolarHBondContact O-CB 3.3Å; A139-I143 WeakPolarHBondContact O-CD1 3.47Å; A139-I143 WeakPolarHBondContact O-CG1 3.29Å; A139-I143 PolarHBondContact O-N 3.14Å; H140-I143 PolarHBondContact O-N 2.89Å; H141-I143 VanDerWaalsContact C-N 3.32Å; H141-I143 PolarHBondContact O-N 3.45Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 3.03Å; I143-S146 PolarHBondContact O-N 3.23Å; I143-L147 PolarHBondContact O-N 2.95Å; I143-A161 HydrophobicContact CD1-CB 3.83Å; I143-A161 HydrophobicContact CG1-CB 3.87Å; I143-A161 HydrophobicContact CG2-CB 4.41Å; I143-A162 HydrophobicContact CG2-CB 3.64Å; I143-F165 HydrophobicContact CD1-CD2 3.41Å; I143-F165 VanDerWaalsContact CD1-CD2 3.41Å; I143-F165 HydrophobicContact CD1-CE2 3.61Å; I143-F165 HydrophobicContact CD1-CG 4.03Å; I143-F165 HydrophobicContact CD1-CZ 4.38Å; I143-F172 HydrophobicContact CB-CZ 4.28Å; I143-F172 HydrophobicContact CD1-CZ 4.5Å; I143-F172 HydrophobicContact CG2-CE2 4.48Å; I143-F172 HydrophobicContact CG2-CZ 3.81Å |
| 144 | R | 96.7 | Very high | 95.4 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 178.7 | -175 | 174.7 | -176.5 | 138.2 | 3.1 | 112 | H140 H141 G175 I176 | H140-R144 WeakPolarHBondContact O-CB 3.16Å; H140-R144 PolarHBondContact O-N 3.46Å; H141-R144 PolarHBondContact O-N 2.75Å; R144-G175 PolarHBondContact NH1-O 2.93Å; R144-I176 HydrophobicContact CB-CD1 4.14Å; R144-I176 HydrophobicContact CG-CD1 4.07Å |
| 145 | Q | 96.2 | Very high | 95.4 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 59% | 0.593 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 177 | -174.4 | -178.2 | 15.9 | 0 | 0 | 112 | H141 S142 I143 L147 D148 | H141-Q145 WeakPolarHBondContact O-CB 3.41Å; H141-Q145 PolarHBondContact O-N 3.21Å; S142-Q145 PolarHBondContact O-N 2.97Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 3.03Å; Q145-L147 VanDerWaalsContact C-N 3.26Å; Q145-L147 PolarHBondContact O-N 3.49Å; Q145-D148 PolarHBondContact O-N 3.15Å; Q145-D148 VanDerWaalsContact O-N 3.14Å |
| 146 | S | 96.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.7 | -18.9 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 113.4 | S142 I143 D148 S149 | S142-S146 VanDerWaalsContact O-CB 3.29Å; S142-S146 WeakPolarHBondContact O-CB 3.16Å; S142-S146 PolarHBondContact O-N 3.04Å; S142-S146 PolarHBondContact O-OG 3.33Å; I143-S146 PolarHBondContact O-N 3.23Å; S146-D148 PolarHBondContact O-N 3.46Å; S146-S149 VanDerWaalsContact O-CB 3.22Å; S146-S149 WeakPolarHBondContact O-CB 3.38Å; S146-S149 PolarHBondContact O-N 3.36Å |
| 147 | L | 95.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.7 | 171.3 | -74.5 | 169.9 | 0 | 0 | 0 | 112.9 | I143 Q145 S149 A158 I159 I176 M183 | I143-L147 PolarHBondContact O-N 2.95Å; Q145-L147 VanDerWaalsContact C-N 3.26Å; Q145-L147 PolarHBondContact O-N 3.49Å; L147-S149 VanDerWaalsContact C-N 3.33Å; L147-A158 HydrophobicContact CD2-CB 3.78Å; L147-A158 HydrophobicContact CG-CB 3.96Å; L147-I159 HydrophobicContact CD2-CG1 3.73Å; L147-I176 HydrophobicContact CD1-CD1 3.81Å; L147-I176 HydrophobicContact CD1-CG1 4.26Å; L147-M183 HydrophobicContact CB-CE 4.36Å; L147-M183 HydrophobicContact CB-SD 4.17Å; L147-M183 WeakPolarHBondContact O-CE 3.24Å |
| 148 | D | 92.8 | Very high | 95.7 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9.5 | 176.8 | -70.8 | -39.4 | 0 | 0 | 0 | 112.9 | Q145 S146 K179 | Q145-D148 PolarHBondContact O-N 3.15Å; Q145-D148 VanDerWaalsContact O-N 3.14Å; S146-D148 PolarHBondContact O-N 3.46Å; D148-K179 WeakPolarHBondContact OD1-CE 3.16Å; D148-K179 IonicContact OD1-NZ 3.64Å; D148-K179 PolarHBondContact OD1-NZ 2.94Å; D148-K179 WeakPolarHBondContact OD2-CE 3.33Å; D148-K179 IonicContact OD2-NZ 3.9Å; D148-K179 PolarHBondContact OD2-NZ 3.22Å |
| 149 | S | 94.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | trans | -66.8 | 151.3 | 179.2 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | S146 L147 D151 E154 V155 | S146-S149 VanDerWaalsContact O-CB 3.22Å; S146-S149 WeakPolarHBondContact O-CB 3.38Å; S146-S149 PolarHBondContact O-N 3.36Å; L147-S149 VanDerWaalsContact C-N 3.33Å; S149-D151 VanDerWaalsContact C-N 3.32Å; S149-D151 PolarHBondContact OG-N 2.82Å; S149-D151 VanDerWaalsContact OG-N 3.16Å; S149-E154 WeakPolarHBondContact CB-OE2 3.26Å; S149-E154 PolarHBondContact OG-OE2 3.28Å; S149-V155 VanDerWaalsContact O-CG2 3.24Å; S149-V155 WeakPolarHBondContact O-CG2 3.42Å | ||
| 150 | H | 92.9 | Very high | 96 | Very high | 188 Ų | 188 | 53.5 Ų | 53.5 | 87% | 0.87 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -83.1 | -11.1 | 171.7 | -58.8 | -40 | 0 | 0 | 0 | 112.8 | ||
| 151 | D | 94.9 | Very high | 96 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | trans | -91.5 | 110.4 | -179.6 | -69.1 | -65.7 | 0 | 0 | 0 | 111.4 | P116 R119 S149 V153 E154 V155 | P116-D151 HydrophobicContact CB-CB 3.75Å; P116-D151 VanDerWaalsContact CB-CG 3.48Å; P116-D151 WeakPolarHBondContact CB-OD2 3.33Å; R119-D151 IonicContact NH2-OD2 2.76Å; R119-D151 PolarHBondContact NH2-OD2 3.44Å; S149-D151 VanDerWaalsContact C-N 3.32Å; S149-D151 PolarHBondContact OG-N 2.82Å; S149-D151 VanDerWaalsContact OG-N 3.16Å; D151-V153 VanDerWaalsContact C-N 3.27Å; D151-V153 PolarHBondContact O-N 3.37Å; D151-V153 VanDerWaalsContact O-N 3.15Å; D151-E154 HydrophobicContact CB-CB 4.08Å; D151-E154 WeakPolarHBondContact O-CB 3.44Å; D151-E154 PolarHBondContact O-N 3.1Å; D151-V155 PolarHBondContact O-N 3.22Å | ||
| 152 | N | 91.9 | Very high | 96.1 | Very high | 122 Ų | 122 | 46.6 Ų | 46.6 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -53.8 | -39.7 | -177.9 | -71.3 | -28.1 | 0 | 0 | 0 | 113.8 | E154 V155 E156 | N152-E154 VanDerWaalsContact C-N 3.26Å; N152-E154 PolarHBondContact O-N 3.06Å; N152-V155 PolarHBondContact O-N 2.98Å; N152-E156 WeakPolarHBondContact O-CG 3.45Å; N152-E156 PolarHBondContact O-N 3.04Å |
| 153 | V | 94.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 42% | 0.424 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 179.8 | 66.8 | 0 | 0 | 0 | 0 | 112.3 | P116 A120 D151 A157 | P116-V153 HydrophobicContact CB-CG1 4.36Å; A120-V153 HydrophobicContact CB-CG1 4.44Å; A120-V153 HydrophobicContact CB-CG2 4.04Å; A120-V153 WeakPolarHBondContact CB-O 3.37Å; D151-V153 VanDerWaalsContact C-N 3.27Å; D151-V153 PolarHBondContact O-N 3.37Å; D151-V153 VanDerWaalsContact O-N 3.15Å; V153-A157 PolarHBondContact O-N 3.17Å |
| 154 | E | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.9 | -44.7 | 178.4 | -173.9 | -178.4 | -159.3 | 0 | 0 | 111.1 | R119 L123 S149 D151 N152 E156 A157 A158 | R119-E154 HydrophobicContact CB-CG 4.41Å; R119-E154 WeakPolarHBondContact CD-OE1 3.41Å; R119-E154 IonicContact CZ-OE1 2.71Å; R119-E154 IonicContact CZ-OE2 2.76Å; R119-E154 IonicContact NE-OE1 2.67Å; R119-E154 PolarHBondContact NE-OE1 3.26Å; R119-E154 IonicContact NE-OE2 3.92Å; R119-E154 IonicContact NH1-OE1 3.23Å; R119-E154 PolarHBondContact NH1-OE1 2.84Å; R119-E154 IonicContact NH1-OE2 3.05Å; R119-E154 PolarHBondContact NH1-OE2 3.2Å; R119-E154 IonicContact NH2-OE2 2.76Å; R119-E154 PolarHBondContact NH2-OE2 2.56Å; L123-E154 HydrophobicContact CD1-CG 3.71Å; S149-E154 WeakPolarHBondContact CB-OE2 3.26Å; S149-E154 PolarHBondContact OG-OE2 3.28Å; D151-E154 HydrophobicContact CB-CB 4.08Å; D151-E154 WeakPolarHBondContact O-CB 3.44Å; D151-E154 PolarHBondContact O-N 3.1Å; N152-E154 VanDerWaalsContact C-N 3.26Å; N152-E154 PolarHBondContact O-N 3.06Å; E154-E156 VanDerWaalsContact C-N 3.28Å; E154-E156 PolarHBondContact O-N 3.22Å; E154-A157 CarbonylContact O-C 3.35Å; E154-A157 WeakPolarHBondContact O-CA 3.49Å; E154-A157 WeakPolarHBondContact O-CB 3.48Å; E154-A157 PolarHBondContact O-N 3.34Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 3.14Å |
| 155 | V | 96.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | 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 3.22Å; N152-V155 PolarHBondContact O-N 2.98Å; V155-A157 VanDerWaalsContact C-N 3.31Å; V155-A157 PolarHBondContact O-N 3.11Å; V155-A158 WeakPolarHBondContact O-CB 3.39Å; V155-A158 PolarHBondContact O-N 3.4Å; V155-I159 HydrophobicContact CG1-CD1 4.22Å; V155-I159 WeakPolarHBondContact O-CG1 3.43Å; V155-I159 PolarHBondContact O-N 2.94Å; V155-L193 HydrophobicContact CG1-CD1 4.01Å; V155-L193 HydrophobicContact CG1-CD2 3.99Å |
| 156 | E | 96.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 37 Ų | 37 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 176.1 | -73.5 | -171.2 | -163.1 | 0 | 0 | 113.4 | N152 E154 F160 K196 | N152-E156 WeakPolarHBondContact O-CG 3.45Å; N152-E156 PolarHBondContact O-N 3.04Å; E154-E156 VanDerWaalsContact C-N 3.28Å; E154-E156 PolarHBondContact O-N 3.22Å; E156-F160 PolarHBondContact O-N 3.04Å; E156-F160 VanDerWaalsContact O-N 3.15Å; E156-K196 HydrophobicContact CG-CD 4.22Å; E156-K196 IonicContact OE1-NZ 2.69Å; E156-K196 PolarHBondContact OE1-NZ 3.4Å; E156-K196 IonicContact OE2-NZ 2.87Å; E156-K196 PolarHBondContact OE2-NZ 2.79Å |
| 157 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.1 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A120 L123 R124 V153 E154 V155 F160 A161 | A120-A157 HydrophobicContact CB-CB 3.75Å; A120-A157 WeakPolarHBondContact O-CB 3.45Å; L123-A157 HydrophobicContact CB-CB 3.92Å; L123-A157 HydrophobicContact CD1-CB 4.27Å; R124-A157 HydrophobicContact CG-CB 3.85Å; V153-A157 PolarHBondContact O-N 3.17Å; E154-A157 CarbonylContact O-C 3.35Å; E154-A157 WeakPolarHBondContact O-CA 3.49Å; E154-A157 WeakPolarHBondContact O-CB 3.48Å; E154-A157 PolarHBondContact O-N 3.34Å; V155-A157 VanDerWaalsContact C-N 3.31Å; V155-A157 PolarHBondContact O-N 3.11Å; A157-F160 PolarHBondContact O-N 3.34Å; A157-A161 WeakPolarHBondContact O-CB 3.38Å; A157-A161 PolarHBondContact O-N 3Å |
| 158 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L123 L147 E154 V155 A161 A162 | L123-A158 HydrophobicContact CD1-CB 4.04Å; L147-A158 HydrophobicContact CD2-CB 3.78Å; L147-A158 HydrophobicContact CG-CB 3.96Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 3.14Å; V155-A158 WeakPolarHBondContact O-CB 3.39Å; V155-A158 PolarHBondContact O-N 3.4Å; A158-A161 PolarHBondContact O-N 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.45Å; A158-A162 PolarHBondContact O-N 3.11Å |
| 159 | I | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 173.7 | -69.7 | 170.6 | 0 | 0 | 0 | 110.8 | L147 V155 A161 A162 A163 L193 K196 L197 M200 | L147-I159 HydrophobicContact CD2-CG1 3.73Å; V155-I159 HydrophobicContact CG1-CD1 4.22Å; V155-I159 WeakPolarHBondContact O-CG1 3.43Å; V155-I159 PolarHBondContact O-N 2.94Å; I159-A161 PolarHBondContact O-N 3.21Å; I159-A162 PolarHBondContact O-N 3.38Å; I159-A163 WeakPolarHBondContact O-CB 3.21Å; I159-A163 PolarHBondContact O-N 2.97Å; I159-L193 HydrophobicContact CD1-CD1 3.29Å; I159-L193 HydrophobicContact CD1-CG 4.11Å; I159-K196 HydrophobicContact CD1-CB 4.24Å; I159-K196 HydrophobicContact CG2-CB 4.34Å; I159-K196 WeakPolarHBondContact CG2-O 3.37Å; I159-L197 HydrophobicContact CD1-CD2 3.79Å; I159-L197 HydrophobicContact CD1-CG 3.84Å; I159-L197 HydrophobicContact CG1-CD2 3.7Å; I159-L197 HydrophobicContact CG1-CG 4.31Å; I159-M200 HydrophobicContact CG2-CG 4.39Å; I159-M200 HydrophobicContact CG2-SD 3.94Å |
| 160 | F | 97.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 175.3 | 170.8 | -91.5 | 0 | 0 | 0 | 111.3 | R124 E156 A157 A162 A163 S164 | R124-F160 HydrophobicContact CB-CD1 4.24Å; R124-F160 HydrophobicContact CB-CE1 4.37Å; R124-F160 HydrophobicContact CG-CD1 4.02Å; R124-F160 WeakPolarHBondContact O-CE1 3.5Å; E156-F160 PolarHBondContact O-N 3.04Å; E156-F160 VanDerWaalsContact O-N 3.15Å; A157-F160 PolarHBondContact O-N 3.34Å; F160-A162 PolarHBondContact O-N 3.03Å; F160-A163 PolarHBondContact O-N 3.08Å; F160-S164 PolarHBondContact O-N 3.3Å; F160-S164 PolarHBondContact O-OG 3.05Å |
| 161 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L123 I143 A157 A158 I159 A163 S164 F165 | L123-A161 HydrophobicContact CB-CB 4.38Å; L123-A161 WeakPolarHBondContact O-CB 3.37Å; I143-A161 HydrophobicContact CD1-CB 3.83Å; I143-A161 HydrophobicContact CG1-CB 3.87Å; I143-A161 HydrophobicContact CG2-CB 4.41Å; A157-A161 WeakPolarHBondContact O-CB 3.38Å; A157-A161 PolarHBondContact O-N 3Å; A158-A161 PolarHBondContact O-N 3.23Å; I159-A161 PolarHBondContact O-N 3.21Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.47Å; A161-S164 PolarHBondContact O-N 3.48Å; A161-F165 WeakPolarHBondContact O-CD2 3.4Å; A161-F165 PolarHBondContact O-N 3.37Å |
| 162 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I143 A158 I159 F160 S166 F172 M200 | I143-A162 HydrophobicContact CG2-CB 3.64Å; A158-A162 WeakPolarHBondContact O-CB 3.45Å; A158-A162 PolarHBondContact O-N 3.11Å; I159-A162 PolarHBondContact O-N 3.38Å; F160-A162 PolarHBondContact O-N 3.03Å; A162-S166 VanDerWaalsContact O-CB 3.25Å; A162-S166 WeakPolarHBondContact O-CB 3.48Å; A162-S166 PolarHBondContact O-N 3.47Å; A162-S166 PolarHBondContact O-OG 3.45Å; A162-F172 HydrophobicContact CB-CE1 4.06Å; A162-F172 HydrophobicContact CB-CZ 4.15Å; A162-F172 WeakPolarHBondContact O-CE1 3.41Å; A162-M200 HydrophobicContact CB-CE 3.27Å; A162-M200 HydrophobicContact CB-SD 4.26Å |
| 163 | A | 97.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.9 | -49.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I159 F160 A161 F165 S166 A167 M200 H203 | I159-A163 WeakPolarHBondContact O-CB 3.21Å; I159-A163 PolarHBondContact O-N 2.97Å; F160-A163 PolarHBondContact O-N 3.08Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.47Å; A163-F165 PolarHBondContact O-N 2.65Å; A163-S166 PolarHBondContact O-N 3.36Å; A163-A167 PolarHBondContact O-N 3.27Å; A163-M200 HydrophobicContact CB-CG 4Å; A163-H203 PolarHBondContact O-CD2 3.46Å |
| 164 | S | 97.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 179.9 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | G127 A130 F160 A161 A167 | G127-S164 WeakPolarHBondContact O-CB 3.49Å; G127-S164 PolarHBondContact O-OG 3.48Å; A130-S164 WeakPolarHBondContact CB-O 3.47Å; F160-S164 PolarHBondContact O-N 3.3Å; F160-S164 PolarHBondContact O-OG 3.05Å; A161-S164 PolarHBondContact O-N 3.48Å; S164-A167 WeakPolarHBondContact O-CB 3.23Å; S164-A167 PolarHBondContact O-N 3.4Å |
| 165 | F | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -37.6 | 176.1 | -86.9 | -93.5 | 0 | 0 | 0 | 112.3 | L126 A130 I133 A139 H140 I143 A161 A163 A167 Q168 S169 F172 | L126-F165 HydrophobicContact CB-CE2 4.22Å; L126-F165 VanDerWaalsContact O-CE2 3.29Å; L126-F165 WeakPolarHBondContact O-CE2 3.27Å; A130-F165 HydrophobicContact CB-CD1 4.43Å; A130-F165 HydrophobicContact CB-CD2 3.93Å; A130-F165 HydrophobicContact CB-CE2 4.13Å; A130-F165 HydrophobicContact CB-CG 4.1Å; A130-F165 HydrophobicContact CB-CZ 4.47Å; I133-F165 HydrophobicContact CD1-CZ 4.14Å; I133-F165 HydrophobicContact CG1-CZ 4.3Å; I133-F165 VanDerWaalsContact O-CE1 3.31Å; I133-F165 WeakPolarHBondContact O-CE1 3.31Å; A139-F165 HydrophobicContact CB-CE1 4.27Å; A139-F165 HydrophobicContact CB-CZ 3.87Å; H140-F165 AromaticContact CD2-CD1 3.68Å; H140-F165 AromaticContact CD2-CE1 3.91Å; H140-F165 AromaticContact NE2-CD1 3.65Å; H140-F165 AromaticContact NE2-CE1 3.97Å; I143-F165 HydrophobicContact CD1-CD2 3.41Å; I143-F165 VanDerWaalsContact CD1-CD2 3.41Å; I143-F165 HydrophobicContact CD1-CE2 3.61Å; I143-F165 HydrophobicContact CD1-CG 4.03Å; I143-F165 HydrophobicContact CD1-CZ 4.38Å; A161-F165 WeakPolarHBondContact O-CD2 3.4Å; A161-F165 PolarHBondContact O-N 3.37Å; A163-F165 PolarHBondContact O-N 2.65Å; F165-A167 PolarHBondContact O-N 3.19Å; F165-Q168 PolarHBondContact O-N 3.09Å; F165-Q168 VanDerWaalsContact O-N 3.15Å; F165-S169 PolarHBondContact O-N 2.63Å; F165-F172 HydrophobicContact CB-CD1 3.51Å; F165-F172 HydrophobicContact CB-CE1 3.71Å; F165-F172 HydrophobicContact CB-CG 4Å; F165-F172 HydrophobicContact CB-CZ 4.35Å |
| 166 | S | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -30 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | A162 A163 Q168 H206 | A162-S166 VanDerWaalsContact O-CB 3.25Å; A162-S166 WeakPolarHBondContact O-CB 3.48Å; A162-S166 PolarHBondContact O-N 3.47Å; A162-S166 PolarHBondContact O-OG 3.45Å; A163-S166 PolarHBondContact O-N 3.36Å; S166-Q168 PolarHBondContact O-N 3.05Å; S166-H206 PolarHBondContact O-NE2 3.43Å |
| 167 | A | 95.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -29.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A163 S164 F165 H203 | A163-A167 PolarHBondContact O-N 3.27Å; S164-A167 WeakPolarHBondContact O-CB 3.23Å; S164-A167 PolarHBondContact O-N 3.4Å; F165-A167 PolarHBondContact O-N 3.19Å; A167-H203 WeakPolarHBondContact CB-ND1 3.43Å |
| 168 | Q | 94.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 31.6 Ų | 31.6 | 51% | 0.505 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -109.7 | -40.7 | -171.5 | -56.2 | -63.5 | -11 | 0 | 0 | 113.3 | A130 P134 F165 S166 | A130-Q168 HydrophobicContact CB-CG 4.33Å; P134-Q168 HydrophobicContact CB-CB 4.12Å; F165-Q168 PolarHBondContact O-N 3.09Å; F165-Q168 VanDerWaalsContact O-N 3.15Å; S166-Q168 PolarHBondContact O-N 3.05Å |
| 169 | S | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -105.2 | 115.7 | -174.2 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | P134 E135 F165 F172 A173 | P134-S169 VanDerWaalsContact O-CB 3.31Å; P134-S169 WeakPolarHBondContact O-CB 3.4Å; P134-S169 PolarHBondContact O-OG 3.49Å; E135-S169 WeakPolarHBondContact OE1-CB 3.49Å; E135-S169 PolarHBondContact OE1-OG 3.4Å; F165-S169 PolarHBondContact O-N 2.63Å; S169-F172 PolarHBondContact O-N 3Å; S169-F172 PolarHBondContact OG-N 3.06Å; S169-A173 WeakPolarHBondContact O-CB 3.5Å; S169-A173 PolarHBondContact O-N 3.45Å | ||
| 170 | K | 95.2 | Very high | 95.7 | Very high | 101 Ų | 101 | 32.7 Ų | 32.7 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 173.4 | 174.9 | 175.6 | 179 | 173.2 | 0 | 112 | F172 A173 A174 H206 D207 | K170-F172 VanDerWaalsContact C-N 3.31Å; K170-F172 PolarHBondContact O-N 3.09Å; K170-A173 PolarHBondContact O-N 3.05Å; K170-A174 PolarHBondContact O-N 2.62Å; K170-H206 HydrophobicContact CB-CB 3.96Å; K170-H206 HydrophobicContact CD-CB 4.1Å; K170-H206 HydrophobicContact CG-CB 3.74Å; K170-D207 VanDerWaalsContact CE-OD2 3.24Å; K170-D207 WeakPolarHBondContact CE-OD2 3.44Å; K170-D207 IonicContact NZ-OD2 2.92Å |
| 171 | D | 94.3 | Very high | 95.5 | Very high | 99 Ų | 99 | 30.5 Ų | 30.5 | 53% | 0.529 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.8 | -45 | -179.8 | -78.5 | 4.8 | 0 | 0 | 0 | 111.2 | K137 G175 | K137-D171 IonicContact NZ-OD2 2.99Å; K137-D171 PolarHBondContact NZ-OD2 3.05Å; K137-D171 VanDerWaalsContact NZ-OD2 3.12Å; D171-G175 PolarHBondContact O-N 3.45Å |
| 172 | F | 96.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.044 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 178.1 | -175.1 | -98 | 0 | 0 | 0 | 111.6 | H140 I143 A162 F165 S169 K170 A174 G175 I176 | H140-F172 HydrophobicContact CB-CD2 3.61Å; H140-F172 HydrophobicContact CB-CE2 3.87Å; H140-F172 AromaticContact CD2-CD2 3.53Å; H140-F172 AromaticContact CG-CD2 3.45Å; H140-F172 VanDerWaalsContact CG-CD2 3.45Å; H140-F172 AromaticContact ND1-CD2 3.96Å; I143-F172 HydrophobicContact CB-CZ 4.28Å; I143-F172 HydrophobicContact CD1-CZ 4.5Å; I143-F172 HydrophobicContact CG2-CE2 4.48Å; I143-F172 HydrophobicContact CG2-CZ 3.81Å; A162-F172 HydrophobicContact CB-CE1 4.06Å; A162-F172 HydrophobicContact CB-CZ 4.15Å; A162-F172 WeakPolarHBondContact O-CE1 3.41Å; F165-F172 HydrophobicContact CB-CD1 3.51Å; F165-F172 HydrophobicContact CB-CE1 3.71Å; F165-F172 HydrophobicContact CB-CG 4Å; F165-F172 HydrophobicContact CB-CZ 4.35Å; S169-F172 PolarHBondContact O-N 3Å; S169-F172 PolarHBondContact OG-N 3.06Å; K170-F172 VanDerWaalsContact C-N 3.31Å; K170-F172 PolarHBondContact O-N 3.09Å; F172-A174 PolarHBondContact O-N 3.18Å; F172-G175 PolarHBondContact O-N 2.88Å; F172-I176 HydrophobicContact CD1-CG2 4.17Å; F172-I176 HydrophobicContact CE1-CB 4.08Å; F172-I176 HydrophobicContact CE1-CG1 4.23Å; F172-I176 HydrophobicContact CE1-CG2 3.9Å; F172-I176 HydrophobicContact CZ-CB 4.15Å; F172-I176 HydrophobicContact CZ-CD1 4.24Å; F172-I176 HydrophobicContact CZ-CG1 4.02Å; F172-I176 HydrophobicContact CZ-CG2 4.47Å; F172-I176 WeakPolarHBondContact O-CB 3.26Å; F172-I176 WeakPolarHBondContact O-CG2 3.27Å; F172-I176 PolarHBondContact O-N 2.7Å |
| 173 | A | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -49.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S169 K170 G175 I176 C177 M204 L210 | S169-A173 WeakPolarHBondContact O-CB 3.5Å; S169-A173 PolarHBondContact O-N 3.45Å; K170-A173 PolarHBondContact O-N 3.05Å; A173-G175 PolarHBondContact O-N 3.2Å; A173-I176 PolarHBondContact O-N 2.91Å; A173-C177 VanDerWaalsContact O-CB 3.29Å; A173-C177 WeakPolarHBondContact O-CB 3.45Å; A173-C177 PolarHBondContact O-N 2.83Å; A173-M204 HydrophobicContact CB-CE 4.31Å; A173-M204 HydrophobicContact CB-SD 3.89Å; A173-L210 HydrophobicContact CB-CD2 4.08Å |
| 174 | A | 94.1 | Very high | 95.1 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K170 F172 | K170-A174 PolarHBondContact O-N 2.62Å; F172-A174 PolarHBondContact O-N 3.18Å |
| 175 | G | 93.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.3 | -29.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R144 D171 F172 A173 | R144-G175 PolarHBondContact NH1-O 2.93Å; D171-G175 PolarHBondContact O-N 3.45Å; F172-G175 PolarHBondContact O-N 2.88Å; A173-G175 PolarHBondContact O-N 3.2Å |
| 176 | I | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -94.8 | -22.8 | -176.9 | -153.8 | 63.1 | 0 | 0 | 0 | 113.2 | R144 L147 F172 A173 N178 K179 V180 M204 | R144-I176 HydrophobicContact CB-CD1 4.14Å; R144-I176 HydrophobicContact CG-CD1 4.07Å; L147-I176 HydrophobicContact CD1-CD1 3.81Å; L147-I176 HydrophobicContact CD1-CG1 4.26Å; F172-I176 HydrophobicContact CD1-CG2 4.17Å; F172-I176 HydrophobicContact CE1-CB 4.08Å; F172-I176 HydrophobicContact CE1-CG1 4.23Å; F172-I176 HydrophobicContact CE1-CG2 3.9Å; F172-I176 HydrophobicContact CZ-CB 4.15Å; F172-I176 HydrophobicContact CZ-CD1 4.24Å; F172-I176 HydrophobicContact CZ-CG1 4.02Å; F172-I176 HydrophobicContact CZ-CG2 4.47Å; F172-I176 WeakPolarHBondContact O-CB 3.26Å; F172-I176 WeakPolarHBondContact O-CG2 3.27Å; F172-I176 PolarHBondContact O-N 2.7Å; A173-I176 PolarHBondContact O-N 2.91Å; I176-N178 PolarHBondContact O-N 3.28Å; I176-K179 HydrophobicContact CD1-CB 4.36Å; I176-K179 WeakPolarHBondContact O-CB 3.47Å; I176-K179 PolarHBondContact O-N 3.25Å; I176-K179 VanDerWaalsContact O-N 3.1Å; I176-V180 HydrophobicContact CG1-CG2 4.13Å; I176-V180 WeakPolarHBondContact O-CG2 3.27Å; I176-V180 PolarHBondContact O-N 3.17Å; I176-M204 HydrophobicContact CG2-CE 4.16Å |
| 177 | C | 94.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -46 | -174.6 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | A173 K179 V180 S181 M204 L210 | A173-C177 VanDerWaalsContact O-CB 3.29Å; A173-C177 WeakPolarHBondContact O-CB 3.45Å; A173-C177 PolarHBondContact O-N 2.83Å; C177-K179 PolarHBondContact O-N 3.49Å; C177-V180 PolarHBondContact O-N 3.2Å; C177-S181 WeakPolarHBondContact O-CB 3.27Å; C177-S181 PolarHBondContact O-N 2.87Å; C177-S181 PolarHBondContact O-OG 3.14Å; C177-M204 HydrophobicContact CB-CE 4.21Å; C177-M204 HydrophobicContact CB-SD 3.92Å; C177-L210 HydrophobicContact CB-CD1 3.72Å |
| 178 | N | 92.9 | Very high | 93.9 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 178.5 | -69.4 | -10.7 | 0 | 0 | 0 | 111.6 | I176 V180 S181 E182 | I176-N178 PolarHBondContact O-N 3.28Å; N178-V180 PolarHBondContact O-N 2.94Å; N178-S181 WeakPolarHBondContact O-CB 3.43Å; N178-S181 PolarHBondContact O-N 3.46Å; N178-E182 WeakPolarHBondContact O-CG 3.39Å; N178-E182 PolarHBondContact O-N 3.36Å |
| 179 | K | 94.1 | Very high | 93.7 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 178.2 | 179.6 | 65.8 | -176.1 | -168.6 | 0 | 111.6 | D148 I176 C177 S181 E182 M183 | D148-K179 WeakPolarHBondContact OD1-CE 3.16Å; D148-K179 IonicContact OD1-NZ 3.64Å; D148-K179 PolarHBondContact OD1-NZ 2.94Å; D148-K179 WeakPolarHBondContact OD2-CE 3.33Å; D148-K179 IonicContact OD2-NZ 3.9Å; D148-K179 PolarHBondContact OD2-NZ 3.22Å; I176-K179 HydrophobicContact CD1-CB 4.36Å; I176-K179 WeakPolarHBondContact O-CB 3.47Å; I176-K179 PolarHBondContact O-N 3.25Å; I176-K179 VanDerWaalsContact O-N 3.1Å; C177-K179 PolarHBondContact O-N 3.49Å; K179-S181 VanDerWaalsContact C-N 3.31Å; K179-S181 PolarHBondContact O-N 2.97Å; K179-E182 PolarHBondContact O-N 3.44Å; K179-M183 HydrophobicContact CG-SD 4.33Å; K179-M183 VanDerWaalsContact O-CG 3.32Å; K179-M183 WeakPolarHBondContact O-CG 3.29Å; K179-M183 PolarHBondContact O-N 2.89Å |
| 180 | V | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | I176 C177 N178 M183 I184 L197 M200 L201 | I176-V180 HydrophobicContact CG1-CG2 4.13Å; I176-V180 WeakPolarHBondContact O-CG2 3.27Å; I176-V180 PolarHBondContact O-N 3.17Å; C177-V180 PolarHBondContact O-N 3.2Å; N178-V180 PolarHBondContact O-N 2.94Å; V180-M183 PolarHBondContact O-N 3.1Å; V180-I184 HydrophobicContact CG1-CD1 3.64Å; V180-I184 HydrophobicContact CG1-CG1 4.31Å; V180-I184 VanDerWaalsContact O-CG1 3.22Å; V180-I184 WeakPolarHBondContact O-CG1 3.41Å; V180-I184 PolarHBondContact O-N 3.03Å; V180-L197 HydrophobicContact CG1-CB 4.44Å; V180-L197 HydrophobicContact CG1-CD2 4.37Å; V180-M200 HydrophobicContact CG2-CE 3.54Å; V180-M200 HydrophobicContact CG2-SD 4.04Å; V180-L201 HydrophobicContact CG1-CD2 4.38Å |
| 181 | S | 93.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -47 | 177 | -56 | 0 | 0 | 0 | 0 | 111.7 | C177 N178 K179 I184 Q185 L217 | C177-S181 WeakPolarHBondContact O-CB 3.27Å; C177-S181 PolarHBondContact O-N 2.87Å; C177-S181 PolarHBondContact O-OG 3.14Å; N178-S181 WeakPolarHBondContact O-CB 3.43Å; N178-S181 PolarHBondContact O-N 3.46Å; K179-S181 VanDerWaalsContact C-N 3.31Å; K179-S181 PolarHBondContact O-N 2.97Å; S181-I184 PolarHBondContact O-N 2.96Å; S181-Q185 WeakPolarHBondContact O-CB 3.49Å; S181-Q185 WeakPolarHBondContact O-CG 3.22Å; S181-Q185 PolarHBondContact O-N 3.33Å; S181-L217 WeakPolarHBondContact OG-CD2 3.42Å |
| 182 | E | 94.1 | Very high | 93.3 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.2 | -46.7 | 175.3 | -72 | 165.4 | -167.3 | 0 | 0 | 111.7 | N178 K179 I184 Q185 G186 | N178-E182 WeakPolarHBondContact O-CG 3.39Å; N178-E182 PolarHBondContact O-N 3.36Å; K179-E182 PolarHBondContact O-N 3.44Å; E182-I184 PolarHBondContact O-N 3.14Å; E182-Q185 PolarHBondContact O-N 3.47Å; E182-G186 PolarHBondContact O-N 2.85Å |
| 183 | M | 95.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.2 | -69.3 | 176.8 | 78.3 | 0 | 0 | 112.2 | L147 K179 V180 G186 T189 L197 | L147-M183 HydrophobicContact CB-CE 4.36Å; L147-M183 HydrophobicContact CB-SD 4.17Å; L147-M183 WeakPolarHBondContact O-CE 3.24Å; K179-M183 HydrophobicContact CG-SD 4.33Å; K179-M183 VanDerWaalsContact O-CG 3.32Å; K179-M183 WeakPolarHBondContact O-CG 3.29Å; K179-M183 PolarHBondContact O-N 2.89Å; V180-M183 PolarHBondContact O-N 3.1Å; M183-G186 PolarHBondContact O-N 3.42Å; M183-T189 VanDerWaalsContact O-CB 3.22Å; M183-T189 WeakPolarHBondContact O-CB 3.43Å; M183-T189 PolarHBondContact O-OG1 3.33Å; M183-L197 HydrophobicContact CB-CD1 3.8Å; M183-L197 HydrophobicContact CE-CD1 4.28Å |
| 184 | I | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 179.1 | -64.8 | 164.9 | 0 | 0 | 0 | 111.1 | V180 S181 E182 K194 L197 I198 L201 L221 | V180-I184 HydrophobicContact CG1-CD1 3.64Å; V180-I184 HydrophobicContact CG1-CG1 4.31Å; V180-I184 VanDerWaalsContact O-CG1 3.22Å; V180-I184 WeakPolarHBondContact O-CG1 3.41Å; V180-I184 PolarHBondContact O-N 3.03Å; S181-I184 PolarHBondContact O-N 2.96Å; E182-I184 PolarHBondContact O-N 3.14Å; I184-K194 VanDerWaalsContact O-CD 3.31Å; I184-K194 WeakPolarHBondContact O-CD 3.49Å; I184-K194 WeakPolarHBondContact O-CE 3.43Å; I184-K194 PolarHBondContact O-NZ 3.42Å; I184-L197 HydrophobicContact CD1-CB 4Å; I184-L197 HydrophobicContact CG1-CB 3.64Å; I184-L197 HydrophobicContact CG1-CD1 4.19Å; I184-I198 HydrophobicContact CD1-CG1 4.02Å; I184-I198 HydrophobicContact CG1-CG1 4.42Å; I184-I198 HydrophobicContact CG2-CG1 4.16Å; I184-L201 HydrophobicContact CD1-CD1 4.23Å; I184-L221 HydrophobicContact CG2-CD1 3.71Å; I184-L221 HydrophobicContact CG2-CD2 3.58Å; I184-L221 HydrophobicContact CG2-CG 4.29Å |
| 185 | Q | 93.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.3 | -26.8 | -179.8 | -68.4 | -179.4 | 0.3 | 0 | 0 | 112.7 | S181 E182 L217 | S181-Q185 WeakPolarHBondContact O-CB 3.49Å; S181-Q185 WeakPolarHBondContact O-CG 3.22Å; S181-Q185 PolarHBondContact O-N 3.33Å; E182-Q185 PolarHBondContact O-N 3.47Å; Q185-L217 HydrophobicContact CG-CD1 4.1Å |
| 186 | G | 93.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | trans | -56.7 | 138.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E182 M183 D188 K194 | E182-G186 PolarHBondContact O-N 2.85Å; M183-G186 PolarHBondContact O-N 3.42Å; G186-D188 VanDerWaalsContact C-N 3.33Å; G186-K194 VanDerWaalsContact O-CE 3.23Å; G186-K194 WeakPolarHBondContact O-CE 3.21Å; G186-K194 PolarHBondContact O-NZ 3.49Å | ||
| 187 | L | 86.9 | Confident | 93.2 | Very high | 159 Ų | 159 | 57.3 Ų | 57.3 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -26.7 | 179.3 | -63.6 | 171.8 | 0 | 0 | 0 | 112 | T189 | L187-T189 PolarHBondContact O-N 3.22Š|
| 188 | D | 88.4 | Confident | 93.4 | Very high | 162 Ų | 162 | 57.2 Ų | 57.2 | 87% | 0.866 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.3 | -178.8 | -56.2 | -43.2 | 0 | 0 | 0 | 113.4 | G186 | G186-D188 VanDerWaalsContact C-N 3.33Š|
| 189 | T | 90.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 54 Ų | 54 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -84.1 | 120.6 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | M183 L187 L193 K194 L197 | M183-T189 VanDerWaalsContact O-CB 3.22Å; M183-T189 WeakPolarHBondContact O-CB 3.43Å; M183-T189 PolarHBondContact O-OG1 3.33Å; L187-T189 PolarHBondContact O-N 3.22Å; T189-L193 HydrophobicContact CG2-CB 3.92Å; T189-L193 HydrophobicContact CG2-CD2 4.01Å; T189-L193 HydrophobicContact CG2-CG 4.11Å; T189-K194 HydrophobicContact CG2-CG 3.7Å; T189-K194 WeakPolarHBondContact O-CE 3.47Å; T189-L197 HydrophobicContact CG2-CD1 4.25Å |
| 190 | P | 92 | Very high | 93.6 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | trans | -65.8 | 151.9 | 179.7 | 26.6 | -33.2 | 0 | 0 | 0 | 111.4 | D192 L193 K194 | P190-D192 VanDerWaalsContact C-N 3.26Å; P190-D192 PolarHBondContact O-N 3.29Å; P190-L193 HydrophobicContact CG-CB 3.9Å; P190-L193 WeakPolarHBondContact O-CB 3.31Å; P190-L193 PolarHBondContact O-N 3.05Å; P190-K194 PolarHBondContact O-N 2.95Å; P190-K194 VanDerWaalsContact O-N 3.08Å | ||
| 191 | V | 92 | Very high | 93.7 | Very high | 80 Ų | 80 | 52.5 Ų | 52.5 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.8 | -40.5 | -176 | 177.8 | 0 | 0 | 0 | 0 | 112 | L193 K194 L195 M230 | V191-L193 PolarHBondContact O-N 3.28Å; V191-K194 WeakPolarHBondContact O-CB 3.38Å; V191-K194 PolarHBondContact O-N 3.41Å; V191-K194 VanDerWaalsContact O-N 3.15Å; V191-L195 HydrophobicContact CG1-CD1 4.29Å; V191-L195 HydrophobicContact CG1-CG 4.43Å; V191-L195 WeakPolarHBondContact O-CG 3.49Å; V191-L195 PolarHBondContact O-N 3.09Å; V191-M230 HydrophobicContact CG1-CG 4.42Å; V191-M230 HydrophobicContact CG1-SD 4.3Å |
| 192 | D | 92.3 | Very high | 93.7 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.8 | -35.3 | 178 | -64.2 | -45.2 | 0 | 0 | 0 | 112.6 | P190 K196 | P190-D192 VanDerWaalsContact C-N 3.26Å; P190-D192 PolarHBondContact O-N 3.29Å; D192-K196 WeakPolarHBondContact O-CG 3.16Å; D192-K196 PolarHBondContact O-N 2.78Å |
| 193 | L | 93.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.3 | -37.8 | 177.6 | -165.7 | 62.3 | 0 | 0 | 0 | 111.2 | V155 I159 T189 P190 V191 L195 K196 L197 | V155-L193 HydrophobicContact CG1-CD1 4.01Å; V155-L193 HydrophobicContact CG1-CD2 3.99Å; I159-L193 HydrophobicContact CD1-CD1 3.29Å; I159-L193 HydrophobicContact CD1-CG 4.11Å; T189-L193 HydrophobicContact CG2-CB 3.92Å; T189-L193 HydrophobicContact CG2-CD2 4.01Å; T189-L193 HydrophobicContact CG2-CG 4.11Å; P190-L193 HydrophobicContact CG-CB 3.9Å; P190-L193 WeakPolarHBondContact O-CB 3.31Å; P190-L193 PolarHBondContact O-N 3.05Å; V191-L193 PolarHBondContact O-N 3.28Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 2.99Å; L193-K196 PolarHBondContact O-N 2.99Å; L193-K196 VanDerWaalsContact O-N 3.07Å; L193-L197 HydrophobicContact CG-CD1 4.3Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 2.96Å |
| 194 | K | 95.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 171.8 | -62.2 | -171.1 | 179.6 | -162.8 | 0 | 111.4 | I184 G186 T189 P190 V191 K196 L197 I198 Y225 M230 | I184-K194 VanDerWaalsContact O-CD 3.31Å; I184-K194 WeakPolarHBondContact O-CD 3.49Å; I184-K194 WeakPolarHBondContact O-CE 3.43Å; I184-K194 PolarHBondContact O-NZ 3.42Å; G186-K194 VanDerWaalsContact O-CE 3.23Å; G186-K194 WeakPolarHBondContact O-CE 3.21Å; G186-K194 PolarHBondContact O-NZ 3.49Å; T189-K194 HydrophobicContact CG2-CG 3.7Å; T189-K194 WeakPolarHBondContact O-CE 3.47Å; P190-K194 PolarHBondContact O-N 2.95Å; P190-K194 VanDerWaalsContact O-N 3.08Å; V191-K194 WeakPolarHBondContact O-CB 3.38Å; V191-K194 PolarHBondContact O-N 3.41Å; V191-K194 VanDerWaalsContact O-N 3.15Å; K194-K196 PolarHBondContact O-N 3.02Å; K194-L197 PolarHBondContact O-N 3.38Å; K194-L197 VanDerWaalsContact O-N 3.15Å; K194-I198 WeakPolarHBondContact O-CD1 3.46Å; K194-I198 VanDerWaalsContact O-CG1 3.25Å; K194-I198 WeakPolarHBondContact O-CG1 3.31Å; K194-I198 PolarHBondContact O-N 3.08Å; K194-Y225 PolarHBondContact NZ-OH 2.75Å; K194-M230 HydrophobicContact CB-CE 4.35Å; K194-M230 HydrophobicContact CB-SD 4.31Å |
| 195 | L | 95.5 | Very high | 93.8 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -28.2 | 176.7 | -68.9 | 171.9 | 0 | 0 | 0 | 113 | V191 L193 P199 P229 M230 V233 | V191-L195 HydrophobicContact CG1-CD1 4.29Å; V191-L195 HydrophobicContact CG1-CG 4.43Å; V191-L195 WeakPolarHBondContact O-CG 3.49Å; V191-L195 PolarHBondContact O-N 3.09Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 2.99Å; L195-P199 WeakPolarHBondContact O-CD 3.49Å; L195-P229 HydrophobicContact CD1-CB 4Å; L195-P229 HydrophobicContact CD2-CB 4.04Å; L195-M230 HydrophobicContact CD2-CG 4.12Å; L195-M230 HydrophobicContact CD2-SD 3.55Å; L195-M230 VanDerWaalsContact CD2-SD 3.55Å; L195-M230 HydrophobicContact CG-SD 3.99Å; L195-V233 HydrophobicContact CD2-CB 4.06Å; L195-V233 HydrophobicContact CD2-CG2 3.81Å |
| 196 | K | 95.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -83 | -31.4 | 175.4 | -66.7 | 175.6 | -171.7 | -175.3 | 0 | 112.9 | E156 I159 D192 L193 K194 | E156-K196 HydrophobicContact CG-CD 4.22Å; E156-K196 IonicContact OE1-NZ 2.69Å; E156-K196 PolarHBondContact OE1-NZ 3.4Å; E156-K196 IonicContact OE2-NZ 2.87Å; E156-K196 PolarHBondContact OE2-NZ 2.79Å; I159-K196 HydrophobicContact CD1-CB 4.24Å; I159-K196 HydrophobicContact CG2-CB 4.34Å; I159-K196 WeakPolarHBondContact CG2-O 3.37Å; D192-K196 WeakPolarHBondContact O-CG 3.16Å; D192-K196 PolarHBondContact O-N 2.78Å; L193-K196 PolarHBondContact O-N 2.99Å; L193-K196 VanDerWaalsContact O-N 3.07Å; K194-K196 PolarHBondContact O-N 3.02Å |
| 197 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.3 | -41.3 | 179.2 | -75.4 | 165.3 | 0 | 0 | 0 | 112.9 | I159 V180 M183 I184 T189 L193 K194 M200 | I159-L197 HydrophobicContact CD1-CD2 3.79Å; I159-L197 HydrophobicContact CD1-CG 3.84Å; I159-L197 HydrophobicContact CG1-CD2 3.7Å; I159-L197 HydrophobicContact CG1-CG 4.31Å; V180-L197 HydrophobicContact CG1-CB 4.44Å; V180-L197 HydrophobicContact CG1-CD2 4.37Å; M183-L197 HydrophobicContact CB-CD1 3.8Å; M183-L197 HydrophobicContact CE-CD1 4.28Å; I184-L197 HydrophobicContact CD1-CB 4Å; I184-L197 HydrophobicContact CG1-CB 3.64Å; I184-L197 HydrophobicContact CG1-CD1 4.19Å; T189-L197 HydrophobicContact CG2-CD1 4.25Å; L193-L197 HydrophobicContact CG-CD1 4.3Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 2.96Å; K194-L197 PolarHBondContact O-N 3.38Å; K194-L197 VanDerWaalsContact O-N 3.15Å; L197-M200 HydrophobicContact CD2-SD 3.95Å; L197-M200 VanDerWaalsContact O-CB 3.23Å; L197-M200 WeakPolarHBondContact O-CB 3.26Å; L197-M200 WeakPolarHBondContact O-CG 3.29Å; L197-M200 PolarHBondContact O-N 3.06Å |
| 198 | I | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -52.5 | -47.6 | -176.2 | -70 | 160.6 | 0 | 0 | 0 | 112.6 | I184 K194 M200 L201 L218 L221 M230 V233 T237 | I184-I198 HydrophobicContact CD1-CG1 4.02Å; I184-I198 HydrophobicContact CG1-CG1 4.42Å; I184-I198 HydrophobicContact CG2-CG1 4.16Å; K194-I198 WeakPolarHBondContact O-CD1 3.46Å; K194-I198 VanDerWaalsContact O-CG1 3.25Å; K194-I198 WeakPolarHBondContact O-CG1 3.31Å; K194-I198 PolarHBondContact O-N 3.08Å; I198-M200 PolarHBondContact O-N 3.41Å; I198-L201 WeakPolarHBondContact O-CB 3.41Å; I198-L201 WeakPolarHBondContact O-CG 3.38Å; I198-L201 PolarHBondContact O-N 2.9Å; I198-L218 HydrophobicContact CG2-CD2 3.86Å; I198-L221 HydrophobicContact CD1-CD1 4.3Å; I198-L221 HydrophobicContact CG1-CD1 4.02Å; I198-M230 HydrophobicContact CD1-CE 3.63Å; I198-M230 HydrophobicContact CD1-SD 3.94Å; I198-V233 HydrophobicContact CB-CG1 3.92Å; I198-V233 HydrophobicContact CG2-CG1 3.81Å; I198-T237 HydrophobicContact CG2-CG2 4.36Å; I198-T237 VanDerWaalsContact O-CG2 3.28Å; I198-T237 WeakPolarHBondContact O-CG2 3.38Å |
| 199 | P | 97.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 41.1 Ų | 41.1 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -54.2 | -25.3 | 178.3 | -29.3 | 36.7 | 0 | 0 | 0 | 115.3 | L195 L201 Q202 V233 T237 | L195-P199 WeakPolarHBondContact O-CD 3.49Å; P199-L201 PolarHBondContact O-N 3.27Å; P199-Q202 WeakPolarHBondContact O-CB 3.43Å; P199-Q202 WeakPolarHBondContact O-CG 3.36Å; P199-Q202 PolarHBondContact O-N 3.13Å; P199-Q202 VanDerWaalsContact O-N 3.11Å; P199-V233 HydrophobicContact CG-CG1 3.78Å; P199-T237 WeakPolarHBondContact CA-OG1 3.44Å |
| 200 | M | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -59 | -30 | 176.7 | -64.1 | 179.5 | 55 | 0 | 0 | 112.5 | I159 A162 A163 V180 L197 I198 Q202 H203 | I159-M200 HydrophobicContact CG2-CG 4.39Å; I159-M200 HydrophobicContact CG2-SD 3.94Å; A162-M200 HydrophobicContact CB-CE 3.27Å; A162-M200 HydrophobicContact CB-SD 4.26Å; A163-M200 HydrophobicContact CB-CG 4Å; V180-M200 HydrophobicContact CG2-CE 3.54Å; V180-M200 HydrophobicContact CG2-SD 4.04Å; L197-M200 HydrophobicContact CD2-SD 3.95Å; L197-M200 VanDerWaalsContact O-CB 3.23Å; L197-M200 WeakPolarHBondContact O-CB 3.26Å; L197-M200 WeakPolarHBondContact O-CG 3.29Å; L197-M200 PolarHBondContact O-N 3.06Å; I198-M200 PolarHBondContact O-N 3.41Å; M200-Q202 PolarHBondContact O-N 3.42Å; M200-Q202 VanDerWaalsContact O-N 3.14Å; M200-H203 PolarHBondContact O-N 2.9Å; M200-H203 VanDerWaalsContact O-N 3.12Å |
| 201 | L | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -64.7 | -16.2 | -179.7 | -58.8 | 173.6 | 0 | 0 | 0 | 112.6 | V180 I184 I198 P199 H203 M204 L217 L218 T237 | V180-L201 HydrophobicContact CG1-CD2 4.38Å; I184-L201 HydrophobicContact CD1-CD1 4.23Å; I198-L201 WeakPolarHBondContact O-CB 3.41Å; I198-L201 WeakPolarHBondContact O-CG 3.38Å; I198-L201 PolarHBondContact O-N 2.9Å; P199-L201 PolarHBondContact O-N 3.27Å; L201-H203 PolarHBondContact O-N 2.87Å; L201-M204 HydrophobicContact CD2-CG 4.3Å; L201-M204 VanDerWaalsContact O-CB 3.27Å; L201-M204 WeakPolarHBondContact O-CB 3.27Å; L201-M204 WeakPolarHBondContact O-CG 3.35Å; L201-M204 PolarHBondContact O-N 3.43Å; L201-L217 HydrophobicContact CD1-CD2 3.71Å; L201-L217 HydrophobicContact CD1-CG 4.28Å; L201-L217 HydrophobicContact CD2-CD2 4.21Å; L201-L218 HydrophobicContact CB-CD1 4.44Å; L201-L218 HydrophobicContact CD1-CD2 3.86Å; L201-L218 HydrophobicContact CD1-CG 3.97Å; L201-T237 HydrophobicContact CB-CG2 3.89Å |
| 202 | Q | 95.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -64.2 | -23.2 | 174.4 | 79.6 | -167 | -9 | 0 | 0 | 112.9 | P199 M200 M204 H205 T237 Q240 | P199-Q202 WeakPolarHBondContact O-CB 3.43Å; P199-Q202 WeakPolarHBondContact O-CG 3.36Å; P199-Q202 PolarHBondContact O-N 3.13Å; P199-Q202 VanDerWaalsContact O-N 3.11Å; M200-Q202 PolarHBondContact O-N 3.42Å; M200-Q202 VanDerWaalsContact O-N 3.14Å; Q202-M204 VanDerWaalsContact C-N 3.28Å; Q202-H205 PolarHBondContact O-ND1 2.92Å; Q202-T237 HydrophobicContact CB-CG2 4.1Å; Q202-Q240 HydrophobicContact CB-CB 3.82Å |
| 203 | H | 96.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -87.9 | 3.7 | -179.1 | -60.1 | -58.9 | 0 | 0 | 0 | 113.2 | A163 A167 M200 L201 H205 H206 | A163-H203 PolarHBondContact O-CD2 3.46Å; A167-H203 WeakPolarHBondContact CB-ND1 3.43Å; M200-H203 PolarHBondContact O-N 2.9Å; M200-H203 VanDerWaalsContact O-N 3.12Å; L201-H203 PolarHBondContact O-N 2.87Å; H203-H205 WeakPolarHBondContact CA-ND1 3.33Å; H203-H205 PolarHBondContact O-N 3.13Å; H203-H205 VanDerWaalsContact O-N 3.1Å; H203-H206 PolarHBondContact O-CD2 3.17Å; H203-H206 VanDerWaalsContact O-CD2 3.23Å; H203-H206 PolarHBondContact O-NE2 2.91Å |
| 204 | M | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -85.3 | 33.6 | -179.3 | -61.9 | -55.4 | 157.9 | 0 | 0 | 112.4 | A173 I176 C177 L201 Q202 L210 A211 S214 L241 | A173-M204 HydrophobicContact CB-CE 4.31Å; A173-M204 HydrophobicContact CB-SD 3.89Å; I176-M204 HydrophobicContact CG2-CE 4.16Å; C177-M204 HydrophobicContact CB-CE 4.21Å; C177-M204 HydrophobicContact CB-SD 3.92Å; L201-M204 HydrophobicContact CD2-CG 4.3Å; L201-M204 VanDerWaalsContact O-CB 3.27Å; L201-M204 WeakPolarHBondContact O-CB 3.27Å; L201-M204 WeakPolarHBondContact O-CG 3.35Å; L201-M204 PolarHBondContact O-N 3.43Å; Q202-M204 VanDerWaalsContact C-N 3.28Å; M204-L210 HydrophobicContact CB-CD2 4.29Å; M204-L210 HydrophobicContact CB-CG 3.88Å; M204-L210 HydrophobicContact CG-CG 4.37Å; M204-L210 CarbonylContact O-C 3.54Å; M204-L210 HydrophobicContact SD-CD1 3.92Å; M204-L210 HydrophobicContact SD-CD2 3.78Å; M204-L210 HydrophobicContact SD-CG 3.93Å; M204-A211 VanDerWaalsContact O-CA 3.26Å; M204-A211 WeakPolarHBondContact O-CA 3.48Å; M204-A211 PolarHBondContact O-N 2.84Å; M204-A211 VanDerWaalsContact O-N 3.13Å; M204-S214 WeakPolarHBondContact CB-OG 3.23Å; M204-S214 WeakPolarHBondContact CG-OG 3.4Å; M204-L241 HydrophobicContact CB-CD1 4.19Å | ||
| 205 | H | 93.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | trans | -97.9 | 2.4 | -174.6 | 56.3 | -93.9 | 0 | 0 | 0 | 114.2 | Q202 H203 D207 L241 F244 | Q202-H205 PolarHBondContact O-ND1 2.92Å; H203-H205 WeakPolarHBondContact CA-ND1 3.33Å; H203-H205 PolarHBondContact O-N 3.13Å; H203-H205 VanDerWaalsContact O-N 3.1Å; H205-D207 VanDerWaalsContact C-N 3.33Å; H205-D207 PolarHBondContact O-N 3.36Å; H205-L241 HydrophobicContact CB-CD1 4.05Å; H205-F244 HydrophobicContact CB-CB 4.01Å | ||
| 206 | H | 92.8 | Very high | 93.7 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69.7 | -23.4 | -173.8 | -63.8 | -69.9 | 0 | 0 | 0 | 115 | S166 K170 H203 | S166-H206 PolarHBondContact O-NE2 3.43Å; K170-H206 HydrophobicContact CB-CB 3.96Å; K170-H206 HydrophobicContact CD-CB 4.1Å; K170-H206 HydrophobicContact CG-CB 3.74Å; H203-H206 PolarHBondContact O-CD2 3.17Å; H203-H206 VanDerWaalsContact O-CD2 3.23Å; H203-H206 PolarHBondContact O-NE2 2.91Å |
| 207 | D | 90.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -152.2 | 163.8 | 170.6 | 64 | 56.9 | 0 | 0 | 0 | 111.7 | K170 H205 S209 L210 A211 | K170-D207 VanDerWaalsContact CE-OD2 3.24Å; K170-D207 WeakPolarHBondContact CE-OD2 3.44Å; K170-D207 IonicContact NZ-OD2 2.92Å; H205-D207 VanDerWaalsContact C-N 3.33Å; H205-D207 PolarHBondContact O-N 3.36Å; D207-S209 VanDerWaalsContact C-N 3.33Å; D207-S209 PolarHBondContact O-N 3.46Å; D207-S209 PolarHBondContact OD1-N 2.92Å; D207-S209 VanDerWaalsContact OD1-N 3.16Å; D207-S209 PolarHBondContact OD1-OG 3.36Å; D207-L210 PolarHBondContact O-N 2.96Å; D207-L210 WeakPolarHBondContact OD1-CB 3.33Å; D207-L210 PolarHBondContact OD1-N 3.46Å; D207-A211 WeakPolarHBondContact O-CB 3.32Å; D207-A211 PolarHBondContact O-N 3.2Å |
| 208 | A | 89.6 | Confident | 93.7 | Very high | 66 Ų | 66 | 34.3 Ų | 34.3 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -35 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S212 I247 | A208-S212 VanDerWaalsContact O-CB 3.28Å; A208-S212 WeakPolarHBondContact O-CB 3.38Å; A208-S212 PolarHBondContact O-N 3.06Å; A208-I247 HydrophobicContact CB-CD1 4.48Å |
| 209 | S | 90.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 62% | 0.615 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.7 | -44.8 | 179.8 | 43.4 | 0 | 0 | 0 | 0 | 112.2 | D207 S212 S213 | D207-S209 VanDerWaalsContact C-N 3.33Å; D207-S209 PolarHBondContact O-N 3.46Å; D207-S209 PolarHBondContact OD1-N 2.92Å; D207-S209 VanDerWaalsContact OD1-N 3.16Å; D207-S209 PolarHBondContact OD1-OG 3.36Å; S209-S212 PolarHBondContact O-N 3.44Å; S209-S213 PolarHBondContact O-N 3.03Å; S209-S213 PolarHBondContact O-OG 3.32Å |
| 210 | L | 91.8 | Very high | 93.4 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.6 | -38 | -179.8 | -172 | 61.2 | 0 | 0 | 0 | 111.3 | A173 C177 M204 D207 S213 S214 | A173-L210 HydrophobicContact CB-CD2 4.08Å; C177-L210 HydrophobicContact CB-CD1 3.72Å; M204-L210 HydrophobicContact CB-CD2 4.29Å; M204-L210 HydrophobicContact CB-CG 3.88Å; M204-L210 HydrophobicContact CG-CG 4.37Å; M204-L210 CarbonylContact O-C 3.54Å; M204-L210 HydrophobicContact SD-CD1 3.92Å; M204-L210 HydrophobicContact SD-CD2 3.78Å; M204-L210 HydrophobicContact SD-CG 3.93Å; D207-L210 PolarHBondContact O-N 2.96Å; D207-L210 WeakPolarHBondContact OD1-CB 3.33Å; D207-L210 PolarHBondContact OD1-N 3.46Å; L210-S213 PolarHBondContact O-OG 2.89Å; L210-S213 VanDerWaalsContact O-OG 3.08Å; L210-S214 VanDerWaalsContact O-CB 3.28Å; L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.43Å; L210-S214 VanDerWaalsContact O-N 3.09Å; L210-S214 PolarHBondContact O-OG 3.24Å |
| 211 | A | 92.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M204 D207 R215 L241 | M204-A211 VanDerWaalsContact O-CA 3.26Å; M204-A211 WeakPolarHBondContact O-CA 3.48Å; M204-A211 PolarHBondContact O-N 2.84Å; M204-A211 VanDerWaalsContact O-N 3.13Å; D207-A211 WeakPolarHBondContact O-CB 3.32Å; D207-A211 PolarHBondContact O-N 3.2Å; A211-R215 WeakPolarHBondContact O-CB 3.42Å; A211-R215 PolarHBondContact O-N 3.43Å; A211-L241 HydrophobicContact CB-CD1 4.47Å |
| 212 | S | 91.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 178.2 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | A208 S209 S214 R215 E216 | A208-S212 VanDerWaalsContact O-CB 3.28Å; A208-S212 WeakPolarHBondContact O-CB 3.38Å; A208-S212 PolarHBondContact O-N 3.06Å; S209-S212 PolarHBondContact O-N 3.44Å; S212-S214 PolarHBondContact O-N 2.97Å; S212-R215 WeakPolarHBondContact O-CB 3.49Å; S212-R215 PolarHBondContact O-N 2.77Å; S212-E216 WeakPolarHBondContact O-CG 3.32Å; S212-E216 PolarHBondContact O-N 3.28Å |
| 213 | S | 91.3 | Very high | 93.1 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 37% | 0.371 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 179.3 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | S209 L210 R215 E216 L217 | S209-S213 PolarHBondContact O-N 3.03Å; S209-S213 PolarHBondContact O-OG 3.32Å; L210-S213 PolarHBondContact O-OG 2.89Å; L210-S213 VanDerWaalsContact O-OG 3.08Å; S213-R215 VanDerWaalsContact C-N 3.32Å; S213-R215 PolarHBondContact O-N 3.45Å; S213-E216 PolarHBondContact O-N 2.81Å; S213-L217 PolarHBondContact O-N 3.1Å |
| 214 | S | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 112 | M204 L210 S212 L217 L218 | M204-S214 WeakPolarHBondContact CB-OG 3.23Å; M204-S214 WeakPolarHBondContact CG-OG 3.4Å; L210-S214 VanDerWaalsContact O-CB 3.28Å; L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.43Å; L210-S214 VanDerWaalsContact O-N 3.09Å; L210-S214 PolarHBondContact O-OG 3.24Å; S212-S214 PolarHBondContact O-N 2.97Å; S214-L217 PolarHBondContact O-N 3.04Å; S214-L218 WeakPolarHBondContact O-CB 3.2Å; S214-L218 VanDerWaalsContact O-CG 3.25Å; S214-L218 WeakPolarHBondContact O-CG 3.45Å; S214-L218 PolarHBondContact O-N 3.23Å |
| 215 | R | 93.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 47 Ų | 47 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.8 | 164.5 | 160.3 | -154.9 | 121.2 | 11.7 | 111.9 | A211 S212 S213 L217 L218 Q219 F238 D248 K251 | A211-R215 WeakPolarHBondContact O-CB 3.42Å; A211-R215 PolarHBondContact O-N 3.43Å; S212-R215 WeakPolarHBondContact O-CB 3.49Å; S212-R215 PolarHBondContact O-N 2.77Å; S213-R215 VanDerWaalsContact C-N 3.32Å; S213-R215 PolarHBondContact O-N 3.45Å; R215-L217 VanDerWaalsContact C-N 3.34Å; R215-L217 PolarHBondContact O-N 3.1Å; R215-L218 PolarHBondContact O-N 3.34Å; R215-Q219 WeakPolarHBondContact O-CB 3.21Å; R215-Q219 PolarHBondContact O-N 3.4Å; R215-F238 HydrophobicContact CB-CE2 3.95Å; R215-F238 HydrophobicContact CB-CZ 4.34Å; R215-F238 HydrophobicContact CG-CE2 3.47Å; R215-F238 VanDerWaalsContact CG-CE2 3.47Å; R215-F238 HydrophobicContact CG-CZ 3.53Å; R215-F238 VanDerWaalsContact CZ-CZ 3.45Å; R215-D248 IonicContact NE-OD2 2.98Å; R215-D248 PolarHBondContact NH1-O 3.07Å; R215-K251 VanDerWaalsContact NH2-CB 3.31Å |
| 216 | E | 93.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 49 Ų | 49 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 175.9 | -73.3 | 170.4 | -164.5 | 0 | 0 | 111.7 | S212 S213 Q219 H220 | S212-E216 WeakPolarHBondContact O-CG 3.32Å; S212-E216 PolarHBondContact O-N 3.28Å; S213-E216 PolarHBondContact O-N 2.81Å; E216-Q219 PolarHBondContact O-N 3.34Å; E216-H220 PolarHBondContact O-N 2.84Å |
| 217 | L | 94.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -51 | 174.7 | 176.8 | 61.2 | 0 | 0 | 0 | 111.5 | S181 Q185 L201 S213 S214 R215 Q219 H220 L221 | S181-L217 WeakPolarHBondContact OG-CD2 3.42Å; Q185-L217 HydrophobicContact CG-CD1 4.1Å; L201-L217 HydrophobicContact CD1-CD2 3.71Å; L201-L217 HydrophobicContact CD1-CG 4.28Å; L201-L217 HydrophobicContact CD2-CD2 4.21Å; S213-L217 PolarHBondContact O-N 3.1Å; S214-L217 PolarHBondContact O-N 3.04Å; R215-L217 VanDerWaalsContact C-N 3.34Å; R215-L217 PolarHBondContact O-N 3.1Å; L217-Q219 VanDerWaalsContact C-N 3.28Å; L217-Q219 PolarHBondContact O-N 3.04Å; L217-H220 WeakPolarHBondContact O-CB 3.35Å; L217-H220 PolarHBondContact O-N 2.67Å; L217-H220 VanDerWaalsContact O-N 3.14Å; L217-L221 HydrophobicContact CD1-CD1 4.31Å; L217-L221 HydrophobicContact CD1-CD2 4.41Å; L217-L221 HydrophobicContact CD1-CG 4.15Å; L217-L221 HydrophobicContact CG-CD1 4.09Å; L217-L221 HydrophobicContact CG-CG 4.35Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.46Å; L217-L221 PolarHBondContact O-N 3.05Å |
| 218 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 179.1 | -73.4 | 166 | 0 | 0 | 0 | 111.8 | I198 L201 S214 R215 L221 V222 T237 F238 L241 | I198-L218 HydrophobicContact CG2-CD2 3.86Å; L201-L218 HydrophobicContact CB-CD1 4.44Å; L201-L218 HydrophobicContact CD1-CD2 3.86Å; L201-L218 HydrophobicContact CD1-CG 3.97Å; S214-L218 WeakPolarHBondContact O-CB 3.2Å; S214-L218 VanDerWaalsContact O-CG 3.25Å; S214-L218 WeakPolarHBondContact O-CG 3.45Å; S214-L218 PolarHBondContact O-N 3.23Å; R215-L218 PolarHBondContact O-N 3.34Å; L218-L221 PolarHBondContact O-N 3.37Å; L218-V222 WeakPolarHBondContact O-CG2 3.5Å; L218-V222 PolarHBondContact O-N 3.13Å; L218-T237 HydrophobicContact CD1-CG2 4.17Å; L218-T237 HydrophobicContact CD2-CG2 4.12Å; L218-F238 HydrophobicContact CB-CB 4.49Å; L218-F238 HydrophobicContact CB-CD1 4.03Å; L218-F238 HydrophobicContact CB-CE1 4.44Å; L218-F238 HydrophobicContact CB-CG 4.21Å; L218-F238 HydrophobicContact CD1-CB 4Å; L218-F238 HydrophobicContact CD1-CD2 4.34Å; L218-F238 HydrophobicContact CD1-CG 4.16Å; L218-L241 HydrophobicContact CD1-CD2 4.31Å |
| 219 | Q | 94.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.8 | -174.8 | 62.8 | 64.4 | 0 | 0 | 111.8 | R215 E216 L217 N223 F238 | R215-Q219 WeakPolarHBondContact O-CB 3.21Å; R215-Q219 PolarHBondContact O-N 3.4Å; E216-Q219 PolarHBondContact O-N 3.34Å; L217-Q219 VanDerWaalsContact C-N 3.28Å; L217-Q219 PolarHBondContact O-N 3.04Å; Q219-N223 PolarHBondContact O-N 3.34Å; Q219-N223 PolarHBondContact O-ND2 3.13Å; Q219-F238 HydrophobicContact CB-CE1 4.47Å |
| 220 | H | 94.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.4 | 173.6 | -97.1 | 0 | 0 | 0 | 111.5 | E216 L217 V222 N223 S224 | E216-H220 PolarHBondContact O-N 2.84Å; L217-H220 WeakPolarHBondContact O-CB 3.35Å; L217-H220 PolarHBondContact O-N 2.67Å; L217-H220 VanDerWaalsContact O-N 3.14Å; H220-V222 PolarHBondContact O-N 3.27Å; H220-N223 PolarHBondContact O-N 2.66Å; H220-S224 PolarHBondContact CD2-OG 2.97Å; H220-S224 PolarHBondContact CE1-OG 3.16Å; H220-S224 PolarHBondContact NE2-OG 3.35Å; H220-S224 VanDerWaalsContact O-CB 3.29Å; H220-S224 WeakPolarHBondContact O-CB 3.38Å; H220-S224 PolarHBondContact O-N 3.39Å; H220-S224 PolarHBondContact O-OG 3.46Å; H220-S224 VanDerWaalsContact O-OG 3.08Å |
| 221 | L | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -179.3 | -67.7 | 175.3 | 0 | 0 | 0 | 112.6 | I184 I198 L217 L218 N223 S224 Y225 | I184-L221 HydrophobicContact CG2-CD1 3.71Å; I184-L221 HydrophobicContact CG2-CD2 3.58Å; I184-L221 HydrophobicContact CG2-CG 4.29Å; I198-L221 HydrophobicContact CD1-CD1 4.3Å; I198-L221 HydrophobicContact CG1-CD1 4.02Å; L217-L221 HydrophobicContact CD1-CD1 4.31Å; L217-L221 HydrophobicContact CD1-CD2 4.41Å; L217-L221 HydrophobicContact CD1-CG 4.15Å; L217-L221 HydrophobicContact CG-CD1 4.09Å; L217-L221 HydrophobicContact CG-CG 4.35Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.46Å; L217-L221 PolarHBondContact O-N 3.05Å; L218-L221 PolarHBondContact O-N 3.37Å; L221-N223 VanDerWaalsContact C-N 3.28Å; L221-N223 PolarHBondContact O-N 2.75Å; L221-S224 PolarHBondContact O-N 3.25Å; L221-Y225 HydrophobicContact CD2-CD2 3.84Å; L221-Y225 HydrophobicContact CD2-CE2 3.72Å; L221-Y225 WeakPolarHBondContact O-CB 3.45Å; L221-Y225 PolarHBondContact O-N 3.49Å |
| 222 | V | 93.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L218 H220 L235 Y259 | L218-V222 WeakPolarHBondContact O-CG2 3.5Å; L218-V222 PolarHBondContact O-N 3.13Å; H220-V222 PolarHBondContact O-N 3.27Å; V222-L235 HydrophobicContact CG2-CD2 4.29Å; V222-L235 HydrophobicContact CG2-CG 4.39Å; V222-Y259 HydrophobicContact CG1-CE1 4.35Å; V222-Y259 HydrophobicContact CG1-CE2 4.1Å; V222-Y259 WeakPolarHBondContact CG1-OH 3.39Å |
| 223 | N | 92.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 45.8 Ų | 45.8 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -75.4 | -39.5 | 178.3 | -67.5 | -14.7 | 0 | 0 | 0 | 112.5 | Q219 H220 L221 | Q219-N223 PolarHBondContact O-N 3.34Å; Q219-N223 PolarHBondContact O-ND2 3.13Å; H220-N223 PolarHBondContact O-N 2.66Å; L221-N223 VanDerWaalsContact C-N 3.28Å; L221-N223 PolarHBondContact O-N 2.75Å |
| 224 | S | 92.1 | Very high | 94.7 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -88.2 | -21.8 | -172.3 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | H220 L221 P226 | H220-S224 PolarHBondContact CD2-OG 2.97Å; H220-S224 PolarHBondContact CE1-OG 3.16Å; H220-S224 PolarHBondContact NE2-OG 3.35Å; H220-S224 VanDerWaalsContact O-CB 3.29Å; H220-S224 WeakPolarHBondContact O-CB 3.38Å; H220-S224 PolarHBondContact O-N 3.39Å; H220-S224 PolarHBondContact O-OG 3.46Å; H220-S224 VanDerWaalsContact O-OG 3.08Å; L221-S224 PolarHBondContact O-N 3.25Å; S224-P226 WeakPolarHBondContact O-CD 3.42Å |
| 225 | Y | 92.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | trans | -123.4 | 81.3 | -179.2 | -64.4 | -89.3 | 0 | 0 | 0 | 111.4 | K194 L221 S227 M230 | K194-Y225 PolarHBondContact NZ-OH 2.75Å; L221-Y225 HydrophobicContact CD2-CD2 3.84Å; L221-Y225 HydrophobicContact CD2-CE2 3.72Å; L221-Y225 WeakPolarHBondContact O-CB 3.45Å; L221-Y225 PolarHBondContact O-N 3.49Å; Y225-S227 PolarHBondContact O-N 3.37Å; Y225-M230 HydrophobicContact CD1-CE 4.04Å; Y225-M230 HydrophobicContact CD2-CE 4.13Å; Y225-M230 HydrophobicContact CG-CE 3.72Å | ||
| 226 | P | 92.7 | Very high | 95.1 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 60% | 0.597 | 24% | 0.243 | S | C | * | . | trans | -75.5 | 8.3 | -171.4 | 31.8 | -37.5 | 0 | 0 | 0 | 114.4 | S224 R265 | S224-P226 WeakPolarHBondContact O-CD 3.42Å; P226-R265 PolarHBondContact O-NH1 3.41Å | ||
| 227 | S | 95.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | trans | -69.2 | 145.5 | -179.5 | 79.7 | 0 | 0 | 0 | 0 | 111.3 | Y225 M230 V231 | Y225-S227 PolarHBondContact O-N 3.37Å; S227-M230 PolarHBondContact O-N 3.11Å; S227-M230 VanDerWaalsContact OG-CB 3.31Å; S227-M230 WeakPolarHBondContact OG-CB 3.42Å; S227-M230 WeakPolarHBondContact OG-CG 3.26Å; S227-M230 PolarHBondContact OG-N 3.16Å; S227-V231 WeakPolarHBondContact O-CG2 3.49Å; S227-V231 PolarHBondContact O-N 3.32Å | ||
| 228 | T | 96.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 38 Ų | 38 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55.2 | -46.7 | -176.8 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | I232 A267 V268 | T228-I232 HydrophobicContact CG2-CD1 3.79Å; T228-I232 WeakPolarHBondContact O-CB 3.38Å; T228-I232 VanDerWaalsContact O-CG1 3.24Å; T228-I232 WeakPolarHBondContact O-CG1 3.38Å; T228-I232 PolarHBondContact O-N 3.19Å; T228-A267 HydrophobicContact CG2-CB 3.83Å; T228-V268 HydrophobicContact CG2-CG2 4.48Å |
| 229 | P | 96.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 38 Ų | 38 | 44% | 0.442 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.5 | -21.7 | 35 | 0 | 0 | 0 | 113.3 | L195 I232 V233 | L195-P229 HydrophobicContact CD1-CB 4Å; L195-P229 HydrophobicContact CD2-CB 4.04Å; P229-I232 PolarHBondContact O-N 2.97Å; P229-V233 WeakPolarHBondContact O-CG2 3.47Å; P229-V233 PolarHBondContact O-N 3.28Å |
| 230 | M | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -49.8 | 180 | -72.6 | -69.5 | -70.2 | 0 | 0 | 111.1 | V191 K194 L195 I198 Y225 S227 I232 V233 S234 | V191-M230 HydrophobicContact CG1-CG 4.42Å; V191-M230 HydrophobicContact CG1-SD 4.3Å; K194-M230 HydrophobicContact CB-CE 4.35Å; K194-M230 HydrophobicContact CB-SD 4.31Å; L195-M230 HydrophobicContact CD2-CG 4.12Å; L195-M230 HydrophobicContact CD2-SD 3.55Å; L195-M230 VanDerWaalsContact CD2-SD 3.55Å; L195-M230 HydrophobicContact CG-SD 3.99Å; I198-M230 HydrophobicContact CD1-CE 3.63Å; I198-M230 HydrophobicContact CD1-SD 3.94Å; Y225-M230 HydrophobicContact CD1-CE 4.04Å; Y225-M230 HydrophobicContact CD2-CE 4.13Å; Y225-M230 HydrophobicContact CG-CE 3.72Å; S227-M230 PolarHBondContact O-N 3.11Å; S227-M230 VanDerWaalsContact OG-CB 3.31Å; S227-M230 WeakPolarHBondContact OG-CB 3.42Å; S227-M230 WeakPolarHBondContact OG-CG 3.26Å; S227-M230 PolarHBondContact OG-N 3.16Å; M230-I232 VanDerWaalsContact C-N 3.27Å; M230-I232 PolarHBondContact O-N 3.17Å; M230-V233 PolarHBondContact O-N 3.14Å; M230-S234 VanDerWaalsContact O-CB 3.29Å; M230-S234 WeakPolarHBondContact O-CB 2.88Å; M230-S234 PolarHBondContact O-N 2.88Å; M230-S234 PolarHBondContact O-OG 2.7Å; M230-S234 VanDerWaalsContact O-OG 3.09Å |
| 231 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 177 | 174 | 0 | 0 | 0 | 0 | 110.8 | S227 L235 Y259 V268 | S227-V231 WeakPolarHBondContact O-CG2 3.49Å; S227-V231 PolarHBondContact O-N 3.32Å; V231-L235 HydrophobicContact CG1-CD1 3.7Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 VanDerWaalsContact O-CB 3.26Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 VanDerWaalsContact O-CG 3.28Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.42Å; V231-Y259 HydrophobicContact CG1-CE1 4.26Å; V231-V268 HydrophobicContact CG1-CG1 4.03Å; V231-V268 HydrophobicContact CG1-CG2 4.03Å |
| 232 | I | 97.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -52.2 | 179 | -76.8 | 173 | 0 | 0 | 0 | 111.5 | T228 P229 M230 H236 A267 V268 L271 | T228-I232 HydrophobicContact CG2-CD1 3.79Å; T228-I232 WeakPolarHBondContact O-CB 3.38Å; T228-I232 VanDerWaalsContact O-CG1 3.24Å; T228-I232 WeakPolarHBondContact O-CG1 3.38Å; T228-I232 PolarHBondContact O-N 3.19Å; P229-I232 PolarHBondContact O-N 2.97Å; M230-I232 VanDerWaalsContact C-N 3.27Å; M230-I232 PolarHBondContact O-N 3.17Å; I232-H236 WeakPolarHBondContact O-CB 3.44Å; I232-H236 PolarHBondContact O-N 2.92Å; I232-A267 HydrophobicContact CD1-CB 3.87Å; I232-V268 HydrophobicContact CG1-CG2 4.37Å; I232-L271 VanDerWaalsContact CA-CD2 3.45Å; I232-L271 HydrophobicContact CB-CD2 4Å; I232-L271 HydrophobicContact CG1-CB 4.44Å; I232-L271 HydrophobicContact CG1-CD2 4.09Å; I232-L271 HydrophobicContact CG2-CD2 3.97Å; I232-L271 WeakPolarHBondContact O-CD2 3.48Å |
| 233 | V | 97.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | -177.6 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | L195 I198 P199 P229 M230 H236 T237 | L195-V233 HydrophobicContact CD2-CB 4.06Å; L195-V233 HydrophobicContact CD2-CG2 3.81Å; I198-V233 HydrophobicContact CB-CG1 3.92Å; I198-V233 HydrophobicContact CG2-CG1 3.81Å; P199-V233 HydrophobicContact CG-CG1 3.78Å; P229-V233 WeakPolarHBondContact O-CG2 3.47Å; P229-V233 PolarHBondContact O-N 3.28Å; M230-V233 PolarHBondContact O-N 3.14Å; V233-H236 PolarHBondContact O-N 3.46Å; V233-T237 WeakPolarHBondContact O-CB 3.31Å; V233-T237 PolarHBondContact O-N 3.1Å; V233-T237 PolarHBondContact O-OG1 3.42Å |
| 234 | S | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 178.4 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | M230 H236 T237 F238 | M230-S234 VanDerWaalsContact O-CB 3.29Å; M230-S234 WeakPolarHBondContact O-CB 2.88Å; M230-S234 PolarHBondContact O-N 2.88Å; M230-S234 PolarHBondContact O-OG 2.7Å; M230-S234 VanDerWaalsContact O-OG 3.09Å; S234-H236 VanDerWaalsContact C-N 3.34Å; S234-H236 PolarHBondContact O-N 3.32Å; S234-T237 PolarHBondContact O-N 3.3Å; S234-F238 VanDerWaalsContact O-CB 3.28Å; S234-F238 WeakPolarHBondContact O-CB 3.47Å; S234-F238 PolarHBondContact O-N 3.35Å |
| 235 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.2 | -75.6 | 177.7 | 0 | 0 | 0 | 111.8 | V222 V231 F238 T239 L255 Y259 V268 L271 | V222-L235 HydrophobicContact CG2-CD2 4.29Å; V222-L235 HydrophobicContact CG2-CG 4.39Å; V231-L235 HydrophobicContact CG1-CD1 3.7Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 VanDerWaalsContact O-CB 3.26Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 VanDerWaalsContact O-CG 3.28Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.42Å; L235-F238 WeakPolarHBondContact O-CB 3.45Å; L235-F238 PolarHBondContact O-N 2.76Å; L235-T239 PolarHBondContact O-N 3.38Å; L235-T239 PolarHBondContact O-OG1 2.98Å; L235-T239 VanDerWaalsContact O-OG1 3.1Å; L235-L255 HydrophobicContact CD2-CD2 3.99Å; L235-L255 HydrophobicContact CD2-CG 4.38Å; L235-Y259 HydrophobicContact CD1-CD1 4.12Å; L235-Y259 HydrophobicContact CD1-CD2 4.07Å; L235-Y259 HydrophobicContact CD1-CE1 4.5Å; L235-Y259 HydrophobicContact CD1-CE2 4.46Å; L235-Y259 HydrophobicContact CD1-CG 3.93Å; L235-Y259 HydrophobicContact CD2-CD2 4.05Å; L235-Y259 HydrophobicContact CD2-CE2 4.06Å; L235-V268 HydrophobicContact CD1-CG1 4.08Å; L235-L271 HydrophobicContact CB-CD2 3.8Å |
| 236 | H | 98.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 32.6 Ų | 32.6 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.7 | -47 | 178 | -170.8 | 59.1 | 0 | 0 | 0 | 111.8 | I232 V233 S234 F238 T239 Q240 L271 D275 | I232-H236 WeakPolarHBondContact O-CB 3.44Å; I232-H236 PolarHBondContact O-N 2.92Å; V233-H236 PolarHBondContact O-N 3.46Å; S234-H236 VanDerWaalsContact C-N 3.34Å; S234-H236 PolarHBondContact O-N 3.32Å; H236-F238 VanDerWaalsContact C-N 3.25Å; H236-F238 PolarHBondContact O-N 3.43Å; H236-T239 PolarHBondContact O-N 2.82Å; H236-Q240 PolarHBondContact CE1-NE2 2.98Å; H236-Q240 PolarHBondContact NE2-NE2 3.44Å; H236-Q240 VanDerWaalsContact NE2-NE2 3.19Å; H236-Q240 WeakPolarHBondContact O-CG 3.47Å; H236-Q240 PolarHBondContact O-N 3.29Å; H236-L271 HydrophobicContact CB-CD1 3.99Å; H236-L271 HydrophobicContact CB-CD2 4.38Å; H236-D275 WeakPolarHBondContact CA-OD2 3.37Å; H236-D275 IonicContact CE1-OD1 3.72Å; H236-D275 IonicContact ND1-OD1 3.04Å; H236-D275 PolarHBondContact ND1-OD1 2.99Å; H236-D275 IonicContact ND1-OD2 3.44Å |
| 237 | T | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -39.6 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | I198 P199 L201 Q202 L218 V233 S234 Q240 L241 | I198-T237 HydrophobicContact CG2-CG2 4.36Å; I198-T237 VanDerWaalsContact O-CG2 3.28Å; I198-T237 WeakPolarHBondContact O-CG2 3.38Å; P199-T237 WeakPolarHBondContact CA-OG1 3.44Å; L201-T237 HydrophobicContact CB-CG2 3.89Å; Q202-T237 HydrophobicContact CB-CG2 4.1Å; L218-T237 HydrophobicContact CD1-CG2 4.17Å; L218-T237 HydrophobicContact CD2-CG2 4.12Å; V233-T237 WeakPolarHBondContact O-CB 3.31Å; V233-T237 PolarHBondContact O-N 3.1Å; V233-T237 PolarHBondContact O-OG1 3.42Å; S234-T237 PolarHBondContact O-N 3.3Å; T237-Q240 PolarHBondContact O-N 3.02Å; T237-L241 WeakPolarHBondContact O-CB 3.46Å; T237-L241 PolarHBondContact O-N 2.91Å |
| 238 | F | 94.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.5 | -155.7 | 165.4 | 0 | 0 | 0 | 111.5 | R215 L218 Q219 S234 L235 H236 L241 A242 L255 | R215-F238 HydrophobicContact CB-CE2 3.95Å; R215-F238 HydrophobicContact CB-CZ 4.34Å; R215-F238 HydrophobicContact CG-CE2 3.47Å; R215-F238 VanDerWaalsContact CG-CE2 3.47Å; R215-F238 HydrophobicContact CG-CZ 3.53Å; R215-F238 VanDerWaalsContact CZ-CZ 3.45Å; L218-F238 HydrophobicContact CB-CB 4.49Å; L218-F238 HydrophobicContact CB-CD1 4.03Å; L218-F238 HydrophobicContact CB-CE1 4.44Å; L218-F238 HydrophobicContact CB-CG 4.21Å; L218-F238 HydrophobicContact CD1-CB 4Å; L218-F238 HydrophobicContact CD1-CD2 4.34Å; L218-F238 HydrophobicContact CD1-CG 4.16Å; Q219-F238 HydrophobicContact CB-CE1 4.47Å; S234-F238 VanDerWaalsContact O-CB 3.28Å; S234-F238 WeakPolarHBondContact O-CB 3.47Å; S234-F238 PolarHBondContact O-N 3.35Å; L235-F238 WeakPolarHBondContact O-CB 3.45Å; L235-F238 PolarHBondContact O-N 2.76Å; H236-F238 VanDerWaalsContact C-N 3.25Å; H236-F238 PolarHBondContact O-N 3.43Å; F238-L241 PolarHBondContact O-N 2.98Å; F238-A242 PolarHBondContact O-N 3.18Å; F238-L255 HydrophobicContact CD1-CD2 3.76Å; F238-L255 HydrophobicContact CE1-CD2 3.54Å; F238-L255 HydrophobicContact CZ-CD2 4.33Å |
| 239 | T | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 174.5 | -59 | 0 | 0 | 0 | 0 | 111.6 | L235 H236 A242 A243 Q252 D275 L278 L279 | L235-T239 PolarHBondContact O-N 3.38Å; L235-T239 PolarHBondContact O-OG1 2.98Å; L235-T239 VanDerWaalsContact O-OG1 3.1Å; H236-T239 PolarHBondContact O-N 2.82Å; T239-A242 PolarHBondContact O-N 3.4Å; T239-A243 WeakPolarHBondContact O-CB 3.43Å; T239-A243 PolarHBondContact O-N 3.16Å; T239-Q252 PolarHBondContact OG1-NE2 2.98Å; T239-D275 VanDerWaalsContact CB-OD2 3.26Å; T239-D275 WeakPolarHBondContact CB-OD2 3.42Å; T239-D275 HydrophobicContact CG2-CB 3.73Å; T239-D275 PolarHBondContact OG1-OD2 3.15Å; T239-L278 HydrophobicContact CG2-CD2 3.84Å; T239-L279 HydrophobicContact CG2-CD1 4.16Å; T239-L279 HydrophobicContact CG2-CD2 4.15Å; T239-L279 HydrophobicContact CG2-CG 4Å |
| 240 | Q | 96.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 15% | 0.145 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 178 | -68.3 | -67.7 | -6.5 | 0 | 0 | 111.4 | Q202 H236 T237 A242 A243 F244 | Q202-Q240 HydrophobicContact CB-CB 3.82Å; H236-Q240 PolarHBondContact CE1-NE2 2.98Å; H236-Q240 PolarHBondContact NE2-NE2 3.44Å; H236-Q240 VanDerWaalsContact NE2-NE2 3.19Å; H236-Q240 WeakPolarHBondContact O-CG 3.47Å; H236-Q240 PolarHBondContact O-N 3.29Å; T237-Q240 PolarHBondContact O-N 3.02Å; Q240-A242 PolarHBondContact O-N 3.06Å; Q240-A243 CarbonylContact O-C 3.52Å; Q240-A243 WeakPolarHBondContact O-CB 3.21Å; Q240-A243 PolarHBondContact O-N 3.32Å; Q240-F244 HydrophobicContact CB-CD2 4.25Å; Q240-F244 HydrophobicContact CB-CE2 4.1Å; Q240-F244 WeakPolarHBondContact O-CD2 3.43Å; Q240-F244 PolarHBondContact O-N 3.13Å |
| 241 | L | 95.7 | Very high | 94 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 176.8 | -179.9 | 63.8 | 0 | 0 | 0 | 111.9 | M204 H205 A211 L218 T237 F238 A243 F244 S245 | M204-L241 HydrophobicContact CB-CD1 4.19Å; H205-L241 HydrophobicContact CB-CD1 4.05Å; A211-L241 HydrophobicContact CB-CD1 4.47Å; L218-L241 HydrophobicContact CD1-CD2 4.31Å; T237-L241 WeakPolarHBondContact O-CB 3.46Å; T237-L241 PolarHBondContact O-N 2.91Å; F238-L241 PolarHBondContact O-N 2.98Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 2.82Å; L241-F244 PolarHBondContact O-N 2.94Å; L241-S245 WeakPolarHBondContact O-CB 3.49Å; L241-S245 PolarHBondContact O-N 3.2Å; L241-S245 PolarHBondContact O-OG 3.33Å |
| 242 | A | 93.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F238 T239 Q240 L246 I249 Q252 | F238-A242 PolarHBondContact O-N 3.18Å; T239-A242 PolarHBondContact O-N 3.4Å; Q240-A242 PolarHBondContact O-N 3.06Å; A242-L246 WeakPolarHBondContact O-CA 3.35Å; A242-L246 PolarHBondContact O-N 3.47Å; A242-I249 HydrophobicContact CB-CG1 4.41Å; A242-Q252 HydrophobicContact CB-CB 4.09Å; A242-Q252 HydrophobicContact CB-CG 4.2Å |
| 243 | A | 93.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T239 Q240 L241 L246 L278 L279 K282 | T239-A243 WeakPolarHBondContact O-CB 3.43Å; T239-A243 PolarHBondContact O-N 3.16Å; Q240-A243 CarbonylContact O-C 3.52Å; Q240-A243 WeakPolarHBondContact O-CB 3.21Å; Q240-A243 PolarHBondContact O-N 3.32Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 2.82Å; A243-L246 WeakPolarHBondContact O-CD2 3.46Å; A243-L278 HydrophobicContact CB-CD2 4.36Å; A243-L279 HydrophobicContact CB-CD2 4.16Å; A243-K282 VanDerWaalsContact C-NZ 3.25Å; A243-K282 HydrophobicContact CB-CD 3.8Å; A243-K282 WeakPolarHBondContact O-CE 3.43Å; A243-K282 PolarHBondContact O-NZ 3.3Å |
| 244 | F | 91.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 40% | 0.404 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -77.8 | -42.6 | 179 | -74.2 | -62.2 | 0 | 0 | 0 | 112.7 | H205 Q240 L241 L246 | H205-F244 HydrophobicContact CB-CB 4.01Å; Q240-F244 HydrophobicContact CB-CD2 4.25Å; Q240-F244 HydrophobicContact CB-CE2 4.1Å; Q240-F244 WeakPolarHBondContact O-CD2 3.43Å; Q240-F244 PolarHBondContact O-N 3.13Å; L241-F244 PolarHBondContact O-N 2.94Å; F244-L246 VanDerWaalsContact C-N 3.32Å |
| 245 | S | 89.8 | Confident | 93.9 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.8 | -20.8 | 178.4 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | L241 I247 | L241-S245 WeakPolarHBondContact O-CB 3.49Å; L241-S245 PolarHBondContact O-N 3.2Å; L241-S245 PolarHBondContact O-OG 3.33Å; S245-I247 WeakPolarHBondContact O-CG1 3.48Å; S245-I247 PolarHBondContact O-N 3.46Å; S245-I247 VanDerWaalsContact O-N 3.13Å; S245-I247 PolarHBondContact OG-N 3.33Å |
| 246 | L | 85.1 | Confident | 93.9 | Very high | 111 Ų | 111 | 35.9 Ų | 35.9 | 58% | 0.581 | 18% | 0.18 | S | C | * | . | trans | 56.3 | 19.3 | -170 | -57.3 | 174.1 | 0 | 0 | 0 | 113.5 | A242 A243 F244 I249 | A242-L246 WeakPolarHBondContact O-CA 3.35Å; A242-L246 PolarHBondContact O-N 3.47Å; A243-L246 WeakPolarHBondContact O-CD2 3.46Å; F244-L246 VanDerWaalsContact C-N 3.32Å; L246-I249 HydrophobicContact CD2-CD1 3.97Å | ||
| 247 | I | 84.6 | Confident | 93.9 | Very high | 78 Ų | 78 | 33 Ų | 33 | 40% | 0.4 | 17% | 0.166 | S | C | . | . | trans | -106.9 | 143.1 | 179.1 | -64.9 | 165.6 | 0 | 0 | 0 | 108.8 | A208 S245 I249 | A208-I247 HydrophobicContact CB-CD1 4.48Å; S245-I247 WeakPolarHBondContact O-CG1 3.48Å; S245-I247 PolarHBondContact O-N 3.46Å; S245-I247 VanDerWaalsContact O-N 3.13Å; S245-I247 PolarHBondContact OG-N 3.33Å; I247-I249 PolarHBondContact O-N 3.23Å | ||
| 248 | D | 88.1 | Confident | 93.9 | Very high | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 55.7 | 24.2 | 175.6 | -72.7 | -31.3 | 0 | 0 | 0 | 115.2 | R215 P250 K251 Q252 | R215-D248 IonicContact NE-OD2 2.98Å; R215-D248 PolarHBondContact NH1-O 3.07Å; D248-P250 VanDerWaalsContact C-N 3.32Å; D248-K251 HydrophobicContact CB-CB 4.34Å; D248-K251 HydrophobicContact CB-CD 4.13Å; D248-K251 HydrophobicContact CB-CG 4.47Å; D248-K251 VanDerWaalsContact CG-NZ 3.34Å; D248-K251 PolarHBondContact O-N 3.32Å; D248-K251 VanDerWaalsContact O-N 3.15Å; D248-K251 WeakPolarHBondContact OD1-CD 3.28Å; D248-K251 VanDerWaalsContact OD1-CE 3.27Å; D248-K251 WeakPolarHBondContact OD1-CE 3.14Å; D248-K251 IonicContact OD1-NZ 2.64Å; D248-K251 PolarHBondContact OD1-NZ 2.86Å; D248-K251 IonicContact OD2-NZ 2.97Å; D248-K251 PolarHBondContact OD2-NZ 3.46Å; D248-Q252 PolarHBondContact O-N 3.34Å |
| 249 | I | 92.8 | Very high | 94 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54 | -43.9 | 171.4 | -68.2 | 174.4 | 0 | 0 | 0 | 111.4 | A242 L246 I247 K251 Q252 L253 L279 A283 L286 | A242-I249 HydrophobicContact CB-CG1 4.41Å; L246-I249 HydrophobicContact CD2-CD1 3.97Å; I247-I249 PolarHBondContact O-N 3.23Å; I249-K251 VanDerWaalsContact C-N 3.33Å; I249-K251 PolarHBondContact O-N 3.09Å; I249-Q252 WeakPolarHBondContact O-CA 3.36Å; I249-Q252 WeakPolarHBondContact O-CB 3.47Å; I249-Q252 PolarHBondContact O-N 3.4Å; I249-L253 HydrophobicContact CG2-CD1 4.28Å; I249-L253 HydrophobicContact CG2-CG 4.3Å; I249-L253 WeakPolarHBondContact O-CG 3.32Å; I249-L253 PolarHBondContact O-N 3.42Å; I249-L279 HydrophobicContact CG2-CD2 4.43Å; I249-A283 HydrophobicContact CD1-CB 3.99Å; I249-L286 HydrophobicContact CB-CD1 3.88Å; I249-L286 HydrophobicContact CD1-CD1 3.72Å; I249-L286 HydrophobicContact CG1-CD1 4.35Å; I249-L286 HydrophobicContact CG2-CB 4.41Å; I249-L286 HydrophobicContact CG2-CD1 3.99Å |
| 250 | P | 94.4 | Very high | 94 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 37% | 0.37 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 176.3 | -27.3 | 36.5 | 0 | 0 | 0 | 113.8 | D248 Q252 L253 Q254 | D248-P250 VanDerWaalsContact C-N 3.32Å; P250-Q252 VanDerWaalsContact C-N 3.32Å; P250-Q252 PolarHBondContact O-N 2.86Å; P250-L253 PolarHBondContact O-N 3.07Å; P250-Q254 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 PolarHBondContact O-N 3.18Å |
| 251 | K | 93.8 | Very high | 93.9 | Very high | 107 Ų | 107 | 44 Ų | 44 | 47% | 0.465 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 175.2 | -62.9 | -179.3 | -172.4 | 150.3 | 0 | 111.3 | R215 D248 I249 Q254 L255 | R215-K251 VanDerWaalsContact NH2-CB 3.31Å; D248-K251 HydrophobicContact CB-CB 4.34Å; D248-K251 HydrophobicContact CB-CD 4.13Å; D248-K251 HydrophobicContact CB-CG 4.47Å; D248-K251 VanDerWaalsContact CG-NZ 3.34Å; D248-K251 PolarHBondContact O-N 3.32Å; D248-K251 VanDerWaalsContact O-N 3.15Å; D248-K251 WeakPolarHBondContact OD1-CD 3.28Å; D248-K251 VanDerWaalsContact OD1-CE 3.27Å; D248-K251 WeakPolarHBondContact OD1-CE 3.14Å; D248-K251 IonicContact OD1-NZ 2.64Å; D248-K251 PolarHBondContact OD1-NZ 2.86Å; D248-K251 IonicContact OD2-NZ 2.97Å; D248-K251 PolarHBondContact OD2-NZ 3.46Å; I249-K251 VanDerWaalsContact C-N 3.33Å; I249-K251 PolarHBondContact O-N 3.09Å; K251-Q254 PolarHBondContact O-N 2.89Å; K251-L255 WeakPolarHBondContact O-CB 3.29Å; K251-L255 PolarHBondContact O-N 3.32Å |
| 252 | Q | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 175.5 | -173.1 | 60.9 | 14.5 | 0 | 0 | 111.9 | T239 A242 D248 I249 P250 Q254 L255 L256 L279 | T239-Q252 PolarHBondContact OG1-NE2 2.98Å; A242-Q252 HydrophobicContact CB-CB 4.09Å; A242-Q252 HydrophobicContact CB-CG 4.2Å; D248-Q252 PolarHBondContact O-N 3.34Å; I249-Q252 WeakPolarHBondContact O-CA 3.36Å; I249-Q252 WeakPolarHBondContact O-CB 3.47Å; I249-Q252 PolarHBondContact O-N 3.4Å; P250-Q252 VanDerWaalsContact C-N 3.32Å; P250-Q252 PolarHBondContact O-N 2.86Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.31Å; Q252-L255 PolarHBondContact O-N 3.48Å; Q252-L256 HydrophobicContact CG-CD1 4.12Å; Q252-L256 HydrophobicContact CG-CG 4.39Å; Q252-L256 WeakPolarHBondContact O-CB 3.45Å; Q252-L256 VanDerWaalsContact O-CG 3.29Å; Q252-L256 WeakPolarHBondContact O-CG 3.5Å; Q252-L256 PolarHBondContact O-N 3.03Å; Q252-L279 HydrophobicContact CG-CD1 4.16Å |
| 253 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 173.7 | -70.1 | 174.4 | 0 | 0 | 0 | 111 | I249 P250 L255 L256 L257 L276 L279 W287 | I249-L253 HydrophobicContact CG2-CD1 4.28Å; I249-L253 HydrophobicContact CG2-CG 4.3Å; I249-L253 WeakPolarHBondContact O-CG 3.32Å; I249-L253 PolarHBondContact O-N 3.42Å; P250-L253 PolarHBondContact O-N 3.07Å; L253-L255 PolarHBondContact O-N 3.32Å; L253-L256 PolarHBondContact O-N 3.42Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.35Å; L253-L257 PolarHBondContact O-N 3.37Å; L253-L276 HydrophobicContact CD2-CD2 3.7Å; L253-L279 HydrophobicContact CD2-CB 4.11Å; L253-L279 HydrophobicContact CD2-CD1 3.64Å; L253-L279 HydrophobicContact CG-CD1 4.25Å; L253-W287 HydrophobicContact CD1-CD2 4.11Å; L253-W287 HydrophobicContact CD1-CG 4.16Å; L253-W287 HydrophobicContact CD2-CD2 4.28Å; L253-W287 HydrophobicContact CD2-CH2 3.99Å; L253-W287 HydrophobicContact CD2-CZ2 3.45Å; L253-W287 VanDerWaalsContact CD2-CZ2 3.45Å |
| 254 | Q | 96.8 | Very high | 94.1 | Very high | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.4 | -71.3 | 172.2 | -5.2 | 0 | 0 | 112 | P250 K251 Q252 L257 Q258 | P250-Q254 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 PolarHBondContact O-N 3.18Å; K251-Q254 PolarHBondContact O-N 2.89Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.31Å; Q254-L257 PolarHBondContact O-N 2.89Å; Q254-Q258 WeakPolarHBondContact O-CB 3.12Å; Q254-Q258 PolarHBondContact O-N 3.23Å |
| 255 | L | 96.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 177.8 | -174.4 | 67.5 | 0 | 0 | 0 | 111.7 | L235 F238 K251 Q252 L253 L257 Q258 Y259 | L235-L255 HydrophobicContact CD2-CD2 3.99Å; L235-L255 HydrophobicContact CD2-CG 4.38Å; F238-L255 HydrophobicContact CD1-CD2 3.76Å; F238-L255 HydrophobicContact CE1-CD2 3.54Å; F238-L255 HydrophobicContact CZ-CD2 4.33Å; K251-L255 WeakPolarHBondContact O-CB 3.29Å; K251-L255 PolarHBondContact O-N 3.32Å; Q252-L255 PolarHBondContact O-N 3.48Å; L253-L255 PolarHBondContact O-N 3.32Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.87Å; L255-Q258 WeakPolarHBondContact O-CB 3.13Å; L255-Q258 PolarHBondContact O-N 3.26Å; L255-Y259 HydrophobicContact CD1-CD2 4.06Å; L255-Y259 HydrophobicContact CD1-CE2 3.71Å; L255-Y259 HydrophobicContact CG-CD2 4.09Å; L255-Y259 HydrophobicContact CG-CE2 4.11Å; L255-Y259 WeakPolarHBondContact O-CD2 3.45Å; L255-Y259 PolarHBondContact O-N 3.15Å |
| 256 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -40 | 179.5 | -68.6 | 172.8 | 0 | 0 | 0 | 111.8 | Q252 L253 Y259 L260 A272 D275 L276 L279 | Q252-L256 HydrophobicContact CG-CD1 4.12Å; Q252-L256 HydrophobicContact CG-CG 4.39Å; Q252-L256 WeakPolarHBondContact O-CB 3.45Å; Q252-L256 VanDerWaalsContact O-CG 3.29Å; Q252-L256 WeakPolarHBondContact O-CG 3.5Å; Q252-L256 PolarHBondContact O-N 3.03Å; L253-L256 PolarHBondContact O-N 3.42Å; L256-Y259 PolarHBondContact O-N 3.23Å; L256-L260 VanDerWaalsContact O-CB 3.28Å; L256-L260 WeakPolarHBondContact O-CB 3.41Å; L256-L260 PolarHBondContact O-N 3.28Å; L256-A272 HydrophobicContact CD2-CB 4.35Å; L256-D275 HydrophobicContact CD1-CB 3.8Å; L256-D275 HydrophobicContact CD2-CB 4.06Å; L256-L276 HydrophobicContact CB-CD2 3.84Å; L256-L276 HydrophobicContact CB-CG 4.05Å; L256-L276 HydrophobicContact CD1-CD2 3.99Å; L256-L276 HydrophobicContact CD1-CG 4.2Å; L256-L279 HydrophobicContact CD1-CD1 3.88Å |
| 257 | L | 97.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 175.5 | -72.1 | 170.3 | 0 | 0 | 0 | 112 | L253 Q254 L255 L260 R261 L276 N291 T294 L295 | L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.35Å; L253-L257 PolarHBondContact O-N 3.37Å; Q254-L257 PolarHBondContact O-N 2.89Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.87Å; L257-L260 WeakPolarHBondContact O-CB 3.36Å; L257-L260 PolarHBondContact O-N 2.8Å; L257-R261 WeakPolarHBondContact O-CB 3.2Å; L257-R261 PolarHBondContact O-N 3.38Å; L257-L276 HydrophobicContact CD2-CD1 3.95Å; L257-L276 HydrophobicContact CD2-CD2 4.48Å; L257-L276 HydrophobicContact CG-CD2 4.37Å; L257-N291 HydrophobicContact CD1-CB 3.75Å; L257-T294 HydrophobicContact CB-CG2 3.86Å; L257-T294 HydrophobicContact CD1-CG2 4.22Å; L257-T294 HydrophobicContact CD2-CG2 4.18Å; L257-T294 HydrophobicContact CG-CG2 4.31Å; L257-L295 HydrophobicContact CD2-CB 3.94Å; L257-L295 HydrophobicContact CD2-CD1 4.2Å |
| 258 | Q | 96.9 | Very high | 95.8 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -49.8 | 173.3 | -172.2 | -177.8 | 6.6 | 0 | 0 | 111.1 | Q254 L255 L260 R261 D262 | Q254-Q258 WeakPolarHBondContact O-CB 3.12Å; Q254-Q258 PolarHBondContact O-N 3.23Å; L255-Q258 WeakPolarHBondContact O-CB 3.13Å; L255-Q258 PolarHBondContact O-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.08Å; Q258-R261 PolarHBondContact O-N 2.86Å; Q258-R261 VanDerWaalsContact O-N 3.11Å; Q258-D262 WeakPolarHBondContact CG-OD2 3.47Å; Q258-D262 WeakPolarHBondContact O-CB 3.34Å; Q258-D262 PolarHBondContact O-N 3.06Å |
| 259 | Y | 97 | Very high | 96.3 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -35.8 | 173.9 | -86.9 | -79.6 | 0 | 0 | 0 | 112.3 | V222 V231 L235 L255 L256 R261 D263 V268 | V222-Y259 HydrophobicContact CG1-CE1 4.35Å; V222-Y259 HydrophobicContact CG1-CE2 4.1Å; V222-Y259 WeakPolarHBondContact CG1-OH 3.39Å; V231-Y259 HydrophobicContact CG1-CE1 4.26Å; L235-Y259 HydrophobicContact CD1-CD1 4.12Å; L235-Y259 HydrophobicContact CD1-CD2 4.07Å; L235-Y259 HydrophobicContact CD1-CE1 4.5Å; L235-Y259 HydrophobicContact CD1-CE2 4.46Å; L235-Y259 HydrophobicContact CD1-CG 3.93Å; L235-Y259 HydrophobicContact CD2-CD2 4.05Å; L235-Y259 HydrophobicContact CD2-CE2 4.06Å; L255-Y259 HydrophobicContact CD1-CD2 4.06Å; L255-Y259 HydrophobicContact CD1-CE2 3.71Å; L255-Y259 HydrophobicContact CG-CD2 4.09Å; L255-Y259 HydrophobicContact CG-CE2 4.11Å; L255-Y259 WeakPolarHBondContact O-CD2 3.45Å; L255-Y259 PolarHBondContact O-N 3.15Å; L256-Y259 PolarHBondContact O-N 3.23Å; Y259-R261 VanDerWaalsContact C-N 3.31Å; Y259-R261 PolarHBondContact O-N 2.95Å; Y259-D263 HydrophobicContact CD1-CB 3.97Å; Y259-D263 WeakPolarHBondContact O-CB 3.34Å; Y259-D263 PolarHBondContact O-N 3.2Å; Y259-V268 HydrophobicContact CD1-CG1 3.87Å; Y259-V268 HydrophobicContact CG-CG1 4.46Å |
| 260 | L | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -32.9 | 176.8 | -170.3 | 61.2 | 0 | 0 | 0 | 112.6 | L256 L257 Q258 K269 A272 I273 L276 L295 M311 | L256-L260 VanDerWaalsContact O-CB 3.28Å; L256-L260 WeakPolarHBondContact O-CB 3.41Å; L256-L260 PolarHBondContact O-N 3.28Å; L257-L260 WeakPolarHBondContact O-CB 3.36Å; L257-L260 PolarHBondContact O-N 2.8Å; Q258-L260 PolarHBondContact O-N 3.08Å; L260-K269 HydrophobicContact CD1-CB 3.89Å; L260-K269 HydrophobicContact CD1-CG 4.21Å; L260-K269 PolarHBondContact O-NZ 3.12Å; L260-A272 HydrophobicContact CB-CB 4.42Å; L260-A272 HydrophobicContact CD1-CB 4.49Å; L260-I273 HydrophobicContact CD1-CD1 4.15Å; L260-I273 HydrophobicContact CD1-CG1 3.83Å; L260-I273 HydrophobicContact CD2-CG1 4.4Å; L260-L276 HydrophobicContact CD2-CD1 4.01Å; L260-L295 HydrophobicContact CD2-CD1 3.52Å; L260-M311 HydrophobicContact CD1-CE 3.52Å; L260-M311 HydrophobicContact CD2-CE 3.83Å; L260-M311 HydrophobicContact CD2-CG 4.15Å; L260-M311 HydrophobicContact CD2-SD 4.16Å; L260-M311 HydrophobicContact CG-CE 3.71Å |
| 261 | R | 95.6 | Very high | 96.7 | Very high | 121 Ų | 121 | 52 Ų | 52 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -79.9 | -58.2 | 177.3 | -171.6 | -177.9 | -77.7 | 168.6 | -10.4 | 110.9 | L257 Q258 Y259 K269 T294 E297 | L257-R261 WeakPolarHBondContact O-CB 3.2Å; L257-R261 PolarHBondContact O-N 3.38Å; Q258-R261 PolarHBondContact O-N 2.86Å; Q258-R261 VanDerWaalsContact O-N 3.11Å; Y259-R261 VanDerWaalsContact C-N 3.31Å; Y259-R261 PolarHBondContact O-N 2.95Å; R261-K269 PolarHBondContact O-NZ 3.43Å; R261-K269 VanDerWaalsContact O-NZ 3.11Å; R261-T294 PolarHBondContact NH2-OG1 2.99Å; R261-E297 IonicContact CZ-OE2 3.43Å; R261-E297 IonicContact NH2-OE2 2.73Å; R261-E297 PolarHBondContact NH2-OE2 3.49Å |
| 262 | D | 95.6 | Very high | 96.9 | Very high | 103 Ų | 103 | 47 Ų | 47 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -89.4 | -32.1 | -162 | -56.4 | -22.5 | 0 | 0 | 0 | 113.3 | Q258 | Q258-D262 WeakPolarHBondContact CG-OD2 3.47Å; Q258-D262 WeakPolarHBondContact O-CB 3.34Å; Q258-D262 PolarHBondContact O-N 3.06Å |
| 263 | D | 96.1 | Very high | 97 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -77.8 | 123.7 | -172.9 | -167.9 | -86.1 | 0 | 0 | 0 | 112.4 | Y259 R265 V268 K269 | Y259-D263 HydrophobicContact CD1-CB 3.97Å; Y259-D263 WeakPolarHBondContact O-CB 3.34Å; Y259-D263 PolarHBondContact O-N 3.2Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 VanDerWaalsContact CG-NE 3.35Å; D263-R265 PolarHBondContact O-N 3.41Å; D263-R265 WeakPolarHBondContact OD1-CA 3.49Å; D263-R265 WeakPolarHBondContact OD1-CB 3.49Å; D263-R265 WeakPolarHBondContact OD1-CG 3.21Å; D263-R265 IonicContact OD1-CZ 2.92Å; D263-R265 PolarHBondContact OD1-N 3.12Å; D263-R265 IonicContact OD1-NE 2.71Å; D263-R265 PolarHBondContact OD1-NE 3.3Å; D263-R265 IonicContact OD1-NH2 2.98Å; D263-R265 IonicContact OD2-CZ 2.94Å; D263-R265 IonicContact OD2-NE 2.81Å; D263-R265 PolarHBondContact OD2-NE 3.45Å; D263-R265 IonicContact OD2-NH2 2.6Å; D263-R265 PolarHBondContact OD2-NH2 2.89Å; D263-V268 HydrophobicContact CB-CG1 4.37Å; D263-K269 WeakPolarHBondContact O-CE 3.45Å; D263-K269 PolarHBondContact O-NZ 3.16Å | ||
| 264 | P | 95 | Very high | 97.1 | Very high | 117 Ų | 117 | 52.1 Ų | 52.1 | 76% | 0.76 | 25% | 0.251 | S | S | * | . | trans | -74.6 | -14.3 | -175.1 | 29.4 | -35.1 | 0 | 0 | 0 | 113.7 | K266 | P264-K266 PolarHBondContact O-N 2.94Š| ||
| 265 | R | 96.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 47 Ų | 47 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | trans | -81.9 | 118.4 | -168.4 | -56.5 | 165.2 | -74.5 | -175.8 | -8.4 | 110.5 | P226 D263 A267 V268 K269 | P226-R265 PolarHBondContact O-NH1 3.41Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 VanDerWaalsContact CG-NE 3.35Å; D263-R265 PolarHBondContact O-N 3.41Å; D263-R265 WeakPolarHBondContact OD1-CA 3.49Å; D263-R265 WeakPolarHBondContact OD1-CB 3.49Å; D263-R265 WeakPolarHBondContact OD1-CG 3.21Å; D263-R265 IonicContact OD1-CZ 2.92Å; D263-R265 PolarHBondContact OD1-N 3.12Å; D263-R265 IonicContact OD1-NE 2.71Å; D263-R265 PolarHBondContact OD1-NE 3.3Å; D263-R265 IonicContact OD1-NH2 2.98Å; D263-R265 IonicContact OD2-CZ 2.94Å; D263-R265 IonicContact OD2-NE 2.81Å; D263-R265 PolarHBondContact OD2-NE 3.45Å; D263-R265 IonicContact OD2-NH2 2.6Å; D263-R265 PolarHBondContact OD2-NH2 2.89Å; R265-A267 PolarHBondContact O-N 3.31Å; R265-A267 VanDerWaalsContact O-N 3.1Å; R265-V268 HydrophobicContact CB-CB 4.35Å; R265-V268 HydrophobicContact CB-CG2 4.04Å; R265-V268 PolarHBondContact O-N 2.59Å; R265-V268 VanDerWaalsContact O-N 3.09Å; R265-K269 PolarHBondContact O-N 3.05Å; R265-K269 VanDerWaalsContact O-N 3.09Å | ||
| 266 | K | 95.8 | Very high | 97.2 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.1 | -30.9 | 179.3 | -172.3 | 174.1 | -177.2 | 177.8 | 0 | 114.1 | P264 R270 S306 L307 | P264-K266 PolarHBondContact O-N 2.94Å; K266-R270 WeakPolarHBondContact O-CB 3.44Å; K266-R270 WeakPolarHBondContact O-CG 3.37Å; K266-R270 PolarHBondContact O-N 3.36Å; K266-R270 VanDerWaalsContact O-N 3.12Å; K266-R270 PolarHBondContact O-NE 3.27Å; K266-S306 VanDerWaalsContact CE-OG 3.28Å; K266-S306 WeakPolarHBondContact CE-OG 3.28Å; K266-S306 PolarHBondContact NZ-OG 3.34Å; K266-L307 HydrophobicContact CG-CD1 4.34Å; K266-L307 HydrophobicContact CG-CD2 4.43Å |
| 267 | A | 97.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.9 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T228 I232 R265 R270 L271 | T228-A267 HydrophobicContact CG2-CB 3.83Å; I232-A267 HydrophobicContact CD1-CB 3.87Å; R265-A267 PolarHBondContact O-N 3.31Å; R265-A267 VanDerWaalsContact O-N 3.1Å; A267-R270 PolarHBondContact O-N 2.97Å; A267-L271 PolarHBondContact O-N 2.93Å |
| 268 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | T228 V231 I232 L235 Y259 D263 R265 R270 L271 A272 | T228-V268 HydrophobicContact CG2-CG2 4.48Å; V231-V268 HydrophobicContact CG1-CG1 4.03Å; V231-V268 HydrophobicContact CG1-CG2 4.03Å; I232-V268 HydrophobicContact CG1-CG2 4.37Å; L235-V268 HydrophobicContact CD1-CG1 4.08Å; Y259-V268 HydrophobicContact CD1-CG1 3.87Å; Y259-V268 HydrophobicContact CG-CG1 4.46Å; D263-V268 HydrophobicContact CB-CG1 4.37Å; R265-V268 HydrophobicContact CB-CB 4.35Å; R265-V268 HydrophobicContact CB-CG2 4.04Å; R265-V268 PolarHBondContact O-N 2.59Å; R265-V268 VanDerWaalsContact O-N 3.09Å; V268-R270 VanDerWaalsContact C-N 3.31Å; V268-R270 PolarHBondContact O-N 3.04Å; V268-L271 WeakPolarHBondContact O-CB 3.34Å; V268-L271 PolarHBondContact O-N 3.05Å; V268-L271 VanDerWaalsContact O-N 3.15Å; V268-A272 PolarHBondContact O-N 2.81Å |
| 269 | K | 97.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 174 | -66.4 | -166.5 | -173.2 | -60.1 | 0 | 112.5 | L260 R261 D263 R265 A272 I273 I302 L307 | L260-K269 HydrophobicContact CD1-CB 3.89Å; L260-K269 HydrophobicContact CD1-CG 4.21Å; L260-K269 PolarHBondContact O-NZ 3.12Å; R261-K269 PolarHBondContact O-NZ 3.43Å; R261-K269 VanDerWaalsContact O-NZ 3.11Å; D263-K269 WeakPolarHBondContact O-CE 3.45Å; D263-K269 PolarHBondContact O-NZ 3.16Å; R265-K269 PolarHBondContact O-N 3.05Å; R265-K269 VanDerWaalsContact O-N 3.09Å; K269-A272 PolarHBondContact O-N 3.21Å; K269-I273 VanDerWaalsContact O-CG1 3.28Å; K269-I273 WeakPolarHBondContact O-CG1 3.46Å; K269-I273 PolarHBondContact O-N 3.38Å; K269-I302 HydrophobicContact CD-CD1 4.31Å; K269-L307 HydrophobicContact CB-CD1 4.13Å; K269-L307 HydrophobicContact CB-CD2 4Å; K269-L307 HydrophobicContact CD-CD1 3.86Å |
| 270 | R | 97.6 | Very high | 97.1 | Very high | 131 Ų | 131 | 45.6 Ų | 45.6 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.4 | -81.7 | -176.4 | -71 | 163.4 | -0.9 | 112.5 | K266 A267 V268 I273 N274 L307 | K266-R270 WeakPolarHBondContact O-CB 3.44Å; K266-R270 WeakPolarHBondContact O-CG 3.37Å; K266-R270 PolarHBondContact O-N 3.36Å; K266-R270 VanDerWaalsContact O-N 3.12Å; K266-R270 PolarHBondContact O-NE 3.27Å; A267-R270 PolarHBondContact O-N 2.97Å; V268-R270 VanDerWaalsContact C-N 3.31Å; V268-R270 PolarHBondContact O-N 3.04Å; R270-I273 PolarHBondContact O-N 2.97Å; R270-N274 PolarHBondContact O-N 3.25Å; R270-N274 VanDerWaalsContact O-N 3.09Å; R270-N274 PolarHBondContact O-ND2 2.97Å; R270-L307 HydrophobicContact CG-CD2 3.58Å |
| 271 | L | 98 | Very high | 97 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 174 | 172.8 | 70.4 | 0 | 0 | 0 | 110.7 | I232 L235 H236 A267 V268 I273 N274 D275 | I232-L271 VanDerWaalsContact CA-CD2 3.45Å; I232-L271 HydrophobicContact CB-CD2 4Å; I232-L271 HydrophobicContact CG1-CB 4.44Å; I232-L271 HydrophobicContact CG1-CD2 4.09Å; I232-L271 HydrophobicContact CG2-CD2 3.97Å; I232-L271 WeakPolarHBondContact O-CD2 3.48Å; L235-L271 HydrophobicContact CB-CD2 3.8Å; H236-L271 HydrophobicContact CB-CD1 3.99Å; H236-L271 HydrophobicContact CB-CD2 4.38Å; A267-L271 PolarHBondContact O-N 2.93Å; V268-L271 WeakPolarHBondContact O-CB 3.34Å; V268-L271 PolarHBondContact O-N 3.05Å; V268-L271 VanDerWaalsContact O-N 3.15Å; L271-I273 PolarHBondContact O-N 3.28Å; L271-N274 WeakPolarHBondContact O-CA 3.3Å; L271-N274 WeakPolarHBondContact O-CB 3.45Å; L271-N274 PolarHBondContact O-N 2.83Å; L271-D275 PolarHBondContact O-N 3.38Å |
| 272 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56 | -42.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L256 L260 V268 K269 D275 L276 | L256-A272 HydrophobicContact CD2-CB 4.35Å; L260-A272 HydrophobicContact CB-CB 4.42Å; L260-A272 HydrophobicContact CD1-CB 4.49Å; V268-A272 PolarHBondContact O-N 2.81Å; K269-A272 PolarHBondContact O-N 3.21Å; A272-D275 PolarHBondContact O-N 3.19Å; A272-L276 WeakPolarHBondContact O-CB 3.37Å; A272-L276 WeakPolarHBondContact O-CG 3.31Å; A272-L276 PolarHBondContact O-N 2.85Å |
| 273 | I | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 172.8 | -70.6 | 165.8 | 0 | 0 | 0 | 112.2 | L260 K269 R270 L271 D275 L276 K277 L307 G310 M311 V314 | L260-I273 HydrophobicContact CD1-CD1 4.15Å; L260-I273 HydrophobicContact CD1-CG1 3.83Å; L260-I273 HydrophobicContact CD2-CG1 4.4Å; K269-I273 VanDerWaalsContact O-CG1 3.28Å; K269-I273 WeakPolarHBondContact O-CG1 3.46Å; K269-I273 PolarHBondContact O-N 3.38Å; R270-I273 PolarHBondContact O-N 2.97Å; L271-I273 PolarHBondContact O-N 3.28Å; I273-D275 VanDerWaalsContact C-N 3.33Å; I273-D275 PolarHBondContact O-N 3.4Å; I273-L276 PolarHBondContact O-N 3.38Å; I273-K277 WeakPolarHBondContact O-CB 3.5Å; I273-K277 PolarHBondContact O-N 3.07Å; I273-L307 HydrophobicContact CD1-CB 4.27Å; I273-L307 HydrophobicContact CD1-CD2 3.82Å; I273-L307 WeakPolarHBondContact CD1-O 3.44Å; I273-G310 VanDerWaalsContact CG2-O 3.32Å; I273-G310 WeakPolarHBondContact CG2-O 3.47Å; I273-M311 HydrophobicContact CD1-CE 4.34Å; I273-M311 HydrophobicContact CD1-CG 3.86Å; I273-M311 HydrophobicContact CG1-CG 3.95Å; I273-V314 HydrophobicContact CG2-CG2 4.17Å; I273-V314 WeakPolarHBondContact O-CG2 3.39Å |
| 274 | N | 98.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63 | -41.3 | 180 | -71.9 | -20.7 | 0 | 0 | 0 | 111.7 | R270 L271 K277 L278 | R270-N274 PolarHBondContact O-N 3.25Å; R270-N274 VanDerWaalsContact O-N 3.09Å; R270-N274 PolarHBondContact O-ND2 2.97Å; L271-N274 WeakPolarHBondContact O-CA 3.3Å; L271-N274 WeakPolarHBondContact O-CB 3.45Å; L271-N274 PolarHBondContact O-N 2.83Å; N274-K277 WeakPolarHBondContact O-CB 3.49Å; N274-K277 PolarHBondContact O-N 3.19Å; N274-L278 PolarHBondContact O-N 2.98Å |
| 275 | D | 98.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -39.4 | 177.7 | -82.9 | 4.3 | 0 | 0 | 0 | 111.9 | H236 T239 L256 L271 A272 I273 K277 L278 L279 | H236-D275 WeakPolarHBondContact CA-OD2 3.37Å; H236-D275 IonicContact CE1-OD1 3.72Å; H236-D275 IonicContact ND1-OD1 3.04Å; H236-D275 PolarHBondContact ND1-OD1 2.99Å; H236-D275 IonicContact ND1-OD2 3.44Å; T239-D275 VanDerWaalsContact CB-OD2 3.26Å; T239-D275 WeakPolarHBondContact CB-OD2 3.42Å; T239-D275 HydrophobicContact CG2-CB 3.73Å; T239-D275 PolarHBondContact OG1-OD2 3.15Å; L256-D275 HydrophobicContact CD1-CB 3.8Å; L256-D275 HydrophobicContact CD2-CB 4.06Å; L271-D275 PolarHBondContact O-N 3.38Å; A272-D275 PolarHBondContact O-N 3.19Å; I273-D275 VanDerWaalsContact C-N 3.33Å; I273-D275 PolarHBondContact O-N 3.4Å; D275-K277 VanDerWaalsContact C-N 3.28Å; D275-K277 PolarHBondContact O-N 3.4Å; D275-L278 WeakPolarHBondContact O-CB 3.4Å; D275-L278 PolarHBondContact O-N 3.04Å; D275-L279 WeakPolarHBondContact O-CG 3.27Å; D275-L279 PolarHBondContact O-N 3.35Å |
| 276 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 170.3 | -71.2 | 170.7 | 0 | 0 | 0 | 111 | L253 L256 L257 L260 A272 I273 L279 A280 W287 L295 V314 | L253-L276 HydrophobicContact CD2-CD2 3.7Å; L256-L276 HydrophobicContact CB-CD2 3.84Å; L256-L276 HydrophobicContact CB-CG 4.05Å; L256-L276 HydrophobicContact CD1-CD2 3.99Å; L256-L276 HydrophobicContact CD1-CG 4.2Å; L257-L276 HydrophobicContact CD2-CD1 3.95Å; L257-L276 HydrophobicContact CD2-CD2 4.48Å; L257-L276 HydrophobicContact CG-CD2 4.37Å; L260-L276 HydrophobicContact CD2-CD1 4.01Å; A272-L276 WeakPolarHBondContact O-CB 3.37Å; A272-L276 WeakPolarHBondContact O-CG 3.31Å; A272-L276 PolarHBondContact O-N 2.85Å; I273-L276 PolarHBondContact O-N 3.38Å; L276-L279 PolarHBondContact O-N 3.16Å; L276-A280 VanDerWaalsContact O-CB 3.3Å; L276-A280 WeakPolarHBondContact O-CB 3.36Å; L276-A280 PolarHBondContact O-N 3.44Å; L276-W287 HydrophobicContact CB-CH2 4.18Å; L276-W287 HydrophobicContact CB-CZ2 4.41Å; L276-W287 HydrophobicContact CD2-CH2 3.74Å; L276-W287 HydrophobicContact CD2-CZ2 4.13Å; L276-W287 HydrophobicContact CG-CH2 4.44Å; L276-L295 HydrophobicContact CD1-CD1 4.3Å; L276-V314 HydrophobicContact CB-CG1 4.12Å; L276-V314 HydrophobicContact CB-CG2 4.12Å |
| 277 | K | 97.9 | Very high | 96.4 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.4 | -39 | 175.1 | -166 | 174.3 | -177.1 | 174.2 | 0 | 112 | I273 N274 D275 K281 V314 | I273-K277 WeakPolarHBondContact O-CB 3.5Å; I273-K277 PolarHBondContact O-N 3.07Å; N274-K277 WeakPolarHBondContact O-CB 3.49Å; N274-K277 PolarHBondContact O-N 3.19Å; D275-K277 VanDerWaalsContact C-N 3.28Å; D275-K277 PolarHBondContact O-N 3.4Å; K277-K281 WeakPolarHBondContact O-CG 3.27Å; K277-K281 PolarHBondContact O-N 3.42Å; K277-V314 HydrophobicContact CB-CG2 3.88Å |
| 278 | L | 97 | Very high | 96.1 | Very high | 61 Ų | 61 | 44 Ų | 44 | 32% | 0.319 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.7 | -50.1 | 173.3 | -177.6 | 94 | 0 | 0 | 0 | 110.4 | T239 A243 N274 D275 K281 K282 | T239-L278 HydrophobicContact CG2-CD2 3.84Å; A243-L278 HydrophobicContact CB-CD2 4.36Å; N274-L278 PolarHBondContact O-N 2.98Å; D275-L278 WeakPolarHBondContact O-CB 3.4Å; D275-L278 PolarHBondContact O-N 3.04Å; L278-K281 PolarHBondContact O-N 2.92Å; L278-K282 PolarHBondContact O-N 2.84Å |
| 279 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | -180 | -66.3 | 178.2 | 0 | 0 | 0 | 112.6 | T239 A243 I249 Q252 L253 L256 D275 L276 K281 K282 A283 | T239-L279 HydrophobicContact CG2-CD1 4.16Å; T239-L279 HydrophobicContact CG2-CD2 4.15Å; T239-L279 HydrophobicContact CG2-CG 4Å; A243-L279 HydrophobicContact CB-CD2 4.16Å; I249-L279 HydrophobicContact CG2-CD2 4.43Å; Q252-L279 HydrophobicContact CG-CD1 4.16Å; L253-L279 HydrophobicContact CD2-CB 4.11Å; L253-L279 HydrophobicContact CD2-CD1 3.64Å; L253-L279 HydrophobicContact CG-CD1 4.25Å; L256-L279 HydrophobicContact CD1-CD1 3.88Å; D275-L279 WeakPolarHBondContact O-CG 3.27Å; D275-L279 PolarHBondContact O-N 3.35Å; L276-L279 PolarHBondContact O-N 3.16Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 2.93Å; L279-K282 PolarHBondContact O-N 3.43Å; L279-A283 CarbonylContact O-C 3.58Å; L279-A283 PolarHBondContact O-N 2.83Å |
| 280 | A | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -32.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L276 P284 W287 V314 T317 L318 | L276-A280 VanDerWaalsContact O-CB 3.3Å; L276-A280 WeakPolarHBondContact O-CB 3.36Å; L276-A280 PolarHBondContact O-N 3.44Å; A280-P284 WeakPolarHBondContact O-CB 3.08Å; A280-P284 WeakPolarHBondContact O-CD 3.22Å; A280-W287 HydrophobicContact CB-CZ2 4.17Å; A280-V314 HydrophobicContact CB-CG1 4.25Å; A280-T317 HydrophobicContact CB-CG2 4.08Å; A280-L318 HydrophobicContact CB-CD2 3.59Å; A280-L318 HydrophobicContact CB-CG 3.81Å |
| 281 | K | 94.9 | Very high | 95.2 | Very high | 147 Ų | 147 | 45.7 Ų | 45.7 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -78.8 | -41.3 | 174.2 | -70.4 | -178.5 | 177.2 | -172.3 | 0 | 112.7 | K277 L278 L279 T317 | K277-K281 WeakPolarHBondContact O-CG 3.27Å; K277-K281 PolarHBondContact O-N 3.42Å; L278-K281 PolarHBondContact O-N 2.92Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 2.93Å; K281-T317 HydrophobicContact CG-CG2 3.81Å |
| 282 | K | 93.1 | Very high | 95 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 41% | 0.409 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -81.7 | -40.5 | -172.2 | -161.8 | 177.5 | -168.6 | 175.6 | 0 | 113.2 | A243 L278 L279 | A243-K282 VanDerWaalsContact C-NZ 3.25Å; A243-K282 HydrophobicContact CB-CD 3.8Å; A243-K282 WeakPolarHBondContact O-CE 3.43Å; A243-K282 PolarHBondContact O-NZ 3.3Å; L278-K282 PolarHBondContact O-N 2.84Å; L279-K282 PolarHBondContact O-N 3.43Å |
| 283 | A | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | trans | -141 | 59.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I249 L279 H285 L286 | I249-A283 HydrophobicContact CD1-CB 3.99Å; L279-A283 CarbonylContact O-C 3.58Å; L279-A283 PolarHBondContact O-N 2.83Å; A283-H285 PolarHBondContact O-N 3.1Å; A283-L286 HydrophobicContact CB-CD1 3.88Å; A283-L286 HydrophobicContact CB-CG 4.21Å; A283-L286 PolarHBondContact O-N 3.27Å | ||
| 284 | P | 94.4 | Very high | 94.4 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -59.8 | -29.8 | 179.7 | 21.6 | -31.4 | 0 | 0 | 0 | 113.2 | A280 L286 W287 L318 T321 | A280-P284 WeakPolarHBondContact O-CB 3.08Å; A280-P284 WeakPolarHBondContact O-CD 3.22Å; P284-L286 PolarHBondContact O-N 2.89Å; P284-W287 PolarHBondContact O-N 3.27Å; P284-L318 HydrophobicContact CB-CD2 4.43Å; P284-T321 HydrophobicContact CB-CG2 3.88Å; P284-T321 WeakPolarHBondContact CB-OG1 3.32Å; P284-T321 HydrophobicContact CG-CG2 4.07Å |
| 285 | H | 92.6 | Very high | 94.3 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -70.5 | -12.2 | -177.2 | 63 | -88.8 | 0 | 0 | 0 | 114.7 | A283 I322 | A283-H285 PolarHBondContact O-N 3.1Å; H285-I322 HydrophobicContact CB-CD1 3.57Å; H285-I322 HydrophobicContact CB-CG1 4.2Å |
| 286 | L | 93.7 | Very high | 94.1 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -94.4 | -1 | 178.8 | -61.5 | -179.1 | 0 | 0 | 0 | 113.2 | I249 A283 P284 | I249-L286 HydrophobicContact CB-CD1 3.88Å; I249-L286 HydrophobicContact CD1-CD1 3.72Å; I249-L286 HydrophobicContact CG1-CD1 4.35Å; I249-L286 HydrophobicContact CG2-CB 4.41Å; I249-L286 HydrophobicContact CG2-CD1 3.99Å; A283-L286 HydrophobicContact CB-CD1 3.88Å; A283-L286 HydrophobicContact CB-CG 4.21Å; A283-L286 PolarHBondContact O-N 3.27Å; P284-L286 PolarHBondContact O-N 2.89Å |
| 287 | W | 93.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | trans | -78.4 | 127.7 | 176.7 | -75.8 | 69.3 | 0 | 0 | 0 | 110.6 | L253 L276 A280 P284 N291 L295 V314 L318 | L253-W287 HydrophobicContact CD1-CD2 4.11Å; L253-W287 HydrophobicContact CD1-CG 4.16Å; L253-W287 HydrophobicContact CD2-CD2 4.28Å; L253-W287 HydrophobicContact CD2-CH2 3.99Å; L253-W287 HydrophobicContact CD2-CZ2 3.45Å; L253-W287 VanDerWaalsContact CD2-CZ2 3.45Å; L276-W287 HydrophobicContact CB-CH2 4.18Å; L276-W287 HydrophobicContact CB-CZ2 4.41Å; L276-W287 HydrophobicContact CD2-CH2 3.74Å; L276-W287 HydrophobicContact CD2-CZ2 4.13Å; L276-W287 HydrophobicContact CG-CH2 4.44Å; A280-W287 HydrophobicContact CB-CZ2 4.17Å; P284-W287 PolarHBondContact O-N 3.27Å; W287-N291 HydrophobicContact CE3-CB 3.91Å; W287-N291 HydrophobicContact CZ3-CB 4.29Å; W287-L295 HydrophobicContact CH2-CD2 4.47Å; W287-L295 HydrophobicContact CZ3-CD2 4.33Å; W287-V314 HydrophobicContact CH2-CG1 3.85Å; W287-V314 HydrophobicContact CZ2-CG1 4.27Å; W287-L318 HydrophobicContact CB-CD2 4.44Å; W287-L318 HydrophobicContact CD2-CD1 3.71Å; W287-L318 HydrophobicContact CD2-CD2 3.76Å; W287-L318 HydrophobicContact CD2-CG 4.39Å; W287-L318 HydrophobicContact CE3-CD1 3.5Å; W287-L318 VanDerWaalsContact CE3-CD1 3.5Å; W287-L318 HydrophobicContact CE3-CD2 4.41Å; W287-L318 HydrophobicContact CG-CD1 4.43Å; W287-L318 HydrophobicContact CG-CD2 3.75Å; W287-L318 HydrophobicContact CH2-CD1 3.85Å; W287-L318 HydrophobicContact CZ2-CD1 4.07Å; W287-L318 HydrophobicContact CZ2-CD2 4.4Å; W287-L318 HydrophobicContact CZ3-CD1 3.58Å | ||
| 288 | I | 91.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | trans | -100.9 | 164.9 | 174.8 | 63.2 | 176.2 | 0 | 0 | 0 | 111.3 | E290 N291 T292 | I288-E290 VanDerWaalsContact C-N 3.26Å; I288-E290 HydrophobicContact CD1-CB 4.33Å; I288-E290 VanDerWaalsContact CD1-OE2 3.25Å; I288-E290 WeakPolarHBondContact CD1-OE2 3.4Å; I288-E290 HydrophobicContact CG1-CB 4.4Å; I288-E290 WeakPolarHBondContact CG1-OE2 3.25Å; I288-E290 PolarHBondContact O-N 3.11Å; I288-N291 HydrophobicContact CG1-CB 4.43Å; I288-N291 VanDerWaalsContact CG1-OD1 3.32Å; I288-N291 WeakPolarHBondContact CG1-OD1 3.29Å; I288-N291 WeakPolarHBondContact O-CB 3.42Å; I288-N291 PolarHBondContact O-N 2.67Å; I288-N291 VanDerWaalsContact O-N 3.13Å; I288-T292 PolarHBondContact O-N 2.68Å | ||
| 289 | R | 88.7 | Confident | 93.5 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.1 | -42.4 | -176.8 | -179.1 | -178.9 | -74.3 | 173.4 | 0.1 | 112.1 | N291 T292 Q293 Y327 S329 | R289-N291 VanDerWaalsContact C-N 3.3Å; R289-N291 PolarHBondContact O-N 2.91Å; R289-T292 PolarHBondContact O-N 3.4Å; R289-Q293 HydrophobicContact CG-CG 4.34Å; R289-Q293 WeakPolarHBondContact O-CG 3.23Å; R289-Q293 PolarHBondContact O-N 2.94Å; R289-Y327 HydrophobicContact CB-CD2 4.35Å; R289-Y327 HydrophobicContact CG-CD2 3.92Å; R289-Y327 HydrophobicContact CG-CE2 3.81Å; R289-Y327 VanDerWaalsContact CZ-O 3.29Å; R289-Y327 PolarHBondContact NE-O 3.32Å; R289-Y327 PolarHBondContact NH2-O 3.4Å; R289-S329 PolarHBondContact NH2-O 3.48Å |
| 290 | E | 90.9 | Very high | 93.2 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.6 | -35.9 | -178.3 | -63 | 77.7 | -171.6 | 0 | 0 | 112.2 | I288 T294 | I288-E290 VanDerWaalsContact C-N 3.26Å; I288-E290 HydrophobicContact CD1-CB 4.33Å; I288-E290 VanDerWaalsContact CD1-OE2 3.25Å; I288-E290 WeakPolarHBondContact CD1-OE2 3.4Å; I288-E290 HydrophobicContact CG1-CB 4.4Å; I288-E290 WeakPolarHBondContact CG1-OE2 3.25Å; I288-E290 PolarHBondContact O-N 3.11Å; E290-T294 WeakPolarHBondContact O-CB 3.48Å; E290-T294 PolarHBondContact O-N 3.42Å; E290-T294 PolarHBondContact O-OG1 3.39Å |
| 291 | N | 94.3 | Very high | 93 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 177.1 | -63.7 | 149.5 | 0 | 0 | 0 | 111 | L257 W287 I288 R289 T294 L295 | L257-N291 HydrophobicContact CD1-CB 3.75Å; W287-N291 HydrophobicContact CE3-CB 3.91Å; W287-N291 HydrophobicContact CZ3-CB 4.29Å; I288-N291 HydrophobicContact CG1-CB 4.43Å; I288-N291 VanDerWaalsContact CG1-OD1 3.32Å; I288-N291 WeakPolarHBondContact CG1-OD1 3.29Å; I288-N291 WeakPolarHBondContact O-CB 3.42Å; I288-N291 PolarHBondContact O-N 2.67Å; I288-N291 VanDerWaalsContact O-N 3.13Å; R289-N291 VanDerWaalsContact C-N 3.3Å; R289-N291 PolarHBondContact O-N 2.91Å; N291-T294 PolarHBondContact O-N 2.89Å; N291-L295 PolarHBondContact O-N 2.93Å |
| 292 | T | 92.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I288 R289 L295 C296 L315 Y327 L344 | I288-T292 PolarHBondContact O-N 2.68Å; R289-T292 PolarHBondContact O-N 3.4Å; T292-L295 PolarHBondContact O-N 3.28Å; T292-C296 PolarHBondContact O-N 3.24Å; T292-C296 PolarHBondContact O-SG 3.42Å; T292-L315 HydrophobicContact CG2-CD2 3.87Å; T292-Y327 HydrophobicContact CG2-CD2 3.86Å; T292-Y327 HydrophobicContact CG2-CE2 3.75Å; T292-L344 HydrophobicContact CG2-CD2 4.36Å |
| 293 | Q | 91.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 174.7 | -76.3 | 173.2 | -28.5 | 0 | 0 | 111.7 | R289 L295 C296 E297 Y327 | R289-Q293 HydrophobicContact CG-CG 4.34Å; R289-Q293 WeakPolarHBondContact O-CG 3.23Å; R289-Q293 PolarHBondContact O-N 2.94Å; Q293-L295 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 3.09Å; Q293-C296 WeakPolarHBondContact O-CA 3.27Å; Q293-C296 WeakPolarHBondContact O-CB 3.48Å; Q293-C296 PolarHBondContact O-N 3.33Å; Q293-E297 WeakPolarHBondContact O-CG 3.43Å; Q293-E297 PolarHBondContact O-N 2.92Å; Q293-Y327 HydrophobicContact CG-CE2 4.14Å |
| 294 | T | 93.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.4 | -42.1 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L257 R261 E290 N291 C296 E297 C298 | L257-T294 HydrophobicContact CB-CG2 3.86Å; L257-T294 HydrophobicContact CD1-CG2 4.22Å; L257-T294 HydrophobicContact CD2-CG2 4.18Å; L257-T294 HydrophobicContact CG-CG2 4.31Å; R261-T294 PolarHBondContact NH2-OG1 2.99Å; E290-T294 WeakPolarHBondContact O-CB 3.48Å; E290-T294 PolarHBondContact O-N 3.42Å; E290-T294 PolarHBondContact O-OG1 3.39Å; N291-T294 PolarHBondContact O-N 2.89Å; T294-C296 VanDerWaalsContact C-N 3.33Å; T294-C296 PolarHBondContact O-N 3.4Å; T294-E297 PolarHBondContact O-N 3.22Å; T294-C298 WeakPolarHBondContact O-CB 3.09Å; T294-C298 PolarHBondContact O-N 2.95Å; T294-C298 VanDerWaalsContact O-N 3.08Å; T294-C298 PolarHBondContact O-SG 3.38Å |
| 295 | L | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 176.5 | -175.3 | 59 | 0 | 0 | 0 | 112.1 | L257 L260 L276 W287 N291 T292 Q293 A299 M311 V314 L315 | L257-L295 HydrophobicContact CD2-CB 3.94Å; L257-L295 HydrophobicContact CD2-CD1 4.2Å; L260-L295 HydrophobicContact CD2-CD1 3.52Å; L276-L295 HydrophobicContact CD1-CD1 4.3Å; W287-L295 HydrophobicContact CH2-CD2 4.47Å; W287-L295 HydrophobicContact CZ3-CD2 4.33Å; N291-L295 PolarHBondContact O-N 2.93Å; T292-L295 PolarHBondContact O-N 3.28Å; Q293-L295 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 3.09Å; L295-A299 WeakPolarHBondContact O-CB 3.45Å; L295-A299 PolarHBondContact O-N 2.85Å; L295-M311 HydrophobicContact CD1-CB 3.97Å; L295-M311 HydrophobicContact CD1-CG 3.88Å; L295-M311 HydrophobicContact CD1-SD 4.32Å; L295-V314 HydrophobicContact CD2-CB 4.09Å; L295-V314 HydrophobicContact CD2-CG1 3.79Å; L295-L315 HydrophobicContact CD2-CD2 3.74Å; L295-L315 HydrophobicContact CD2-CG 3.85Å; L295-L315 HydrophobicContact CG-CD2 4.27Å; L295-L315 HydrophobicContact CG-CG 4.3Å |
| 296 | C | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | T292 Q293 T294 C298 A299 L300 D343 L347 | T292-C296 PolarHBondContact O-N 3.24Å; T292-C296 PolarHBondContact O-SG 3.42Å; Q293-C296 WeakPolarHBondContact O-CA 3.27Å; Q293-C296 WeakPolarHBondContact O-CB 3.48Å; Q293-C296 PolarHBondContact O-N 3.33Å; T294-C296 VanDerWaalsContact C-N 3.33Å; T294-C296 PolarHBondContact O-N 3.4Å; C296-C298 VanDerWaalsContact C-N 3.33Å; C296-C298 PolarHBondContact O-N 3.08Å; C296-A299 PolarHBondContact O-N 3.29Å; C296-A299 VanDerWaalsContact O-N 3.1Å; C296-L300 WeakPolarHBondContact O-CG 3.35Å; C296-L300 PolarHBondContact O-N 2.97Å; C296-D343 HydrophobicContact CB-CB 4.12Å; C296-L347 HydrophobicContact CB-CD2 4.06Å |
| 297 | E | 92.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.3 | -68.2 | 166.9 | -177 | 0 | 0 | 111.7 | R261 Q293 T294 A299 L300 T301 | R261-E297 IonicContact CZ-OE2 3.43Å; R261-E297 IonicContact NH2-OE2 2.73Å; R261-E297 PolarHBondContact NH2-OE2 3.49Å; Q293-E297 WeakPolarHBondContact O-CG 3.43Å; Q293-E297 PolarHBondContact O-N 2.92Å; T294-E297 PolarHBondContact O-N 3.22Å; E297-A299 VanDerWaalsContact C-N 3.31Å; E297-A299 PolarHBondContact O-N 3.34Å; E297-L300 PolarHBondContact O-N 2.89Å; E297-T301 WeakPolarHBondContact O-CG2 3.39Å; E297-T301 PolarHBondContact O-N 3.45Å; E297-T301 VanDerWaalsContact O-N 3.14Å; E297-T301 PolarHBondContact O-OG1 3.13Å |
| 298 | C | 94.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 175.4 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | T294 C296 T301 I302 M311 | T294-C298 WeakPolarHBondContact O-CB 3.09Å; T294-C298 PolarHBondContact O-N 2.95Å; T294-C298 VanDerWaalsContact O-N 3.08Å; T294-C298 PolarHBondContact O-SG 3.38Å; C296-C298 VanDerWaalsContact C-N 3.33Å; C296-C298 PolarHBondContact O-N 3.08Å; C298-T301 PolarHBondContact O-OG1 3.47Å; C298-I302 WeakPolarHBondContact O-CB 3.5Å; C298-I302 PolarHBondContact O-N 3.36Å; C298-I302 VanDerWaalsContact O-N 3.17Å; C298-M311 HydrophobicContact CB-CE 4.25Å; C298-M311 HydrophobicContact CB-SD 4.09Å |
| 299 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.1 | -35.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L295 C296 E297 T301 K308 M311 L347 | L295-A299 WeakPolarHBondContact O-CB 3.45Å; L295-A299 PolarHBondContact O-N 2.85Å; C296-A299 PolarHBondContact O-N 3.29Å; C296-A299 VanDerWaalsContact O-N 3.1Å; E297-A299 VanDerWaalsContact C-N 3.31Å; E297-A299 PolarHBondContact O-N 3.34Å; A299-T301 VanDerWaalsContact C-N 3.33Å; A299-K308 WeakPolarHBondContact O-CE 3.41Å; A299-M311 VanDerWaalsContact CA-SD 3.56Å; A299-M311 HydrophobicContact CB-CB 4.17Å; A299-M311 HydrophobicContact CB-SD 3.76Å; A299-L347 HydrophobicContact CB-CD1 3.94Å; A299-L347 HydrophobicContact CB-CD2 3.68Å; A299-L347 HydrophobicContact CB-CG 4.49Å |
| 300 | L | 91.8 | Very high | 93.5 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | 176.2 | -74.1 | 169.5 | 0 | 0 | 0 | 112.1 | C296 E297 D343 L347 E350 | C296-L300 WeakPolarHBondContact O-CG 3.35Å; C296-L300 PolarHBondContact O-N 2.97Å; E297-L300 PolarHBondContact O-N 2.89Å; L300-D343 HydrophobicContact CD1-CB 4.39Å; L300-L347 HydrophobicContact CD2-CB 4.02Å; L300-L347 HydrophobicContact CD2-CD1 3.68Å; L300-L347 HydrophobicContact CD2-CG 4.46Å; L300-L347 HydrophobicContact CG-CB 4.25Å; L300-L347 HydrophobicContact CG-CD1 3.93Å; L300-E350 WeakPolarHBondContact CD2-OE2 3.46Å |
| 301 | T | 90.7 | Very high | 93.8 | Very high | 114 Ų | 114 | 38.2 Ų | 38.2 | 70% | 0.699 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -89.1 | -20 | -175.3 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | E297 C298 A299 | E297-T301 WeakPolarHBondContact O-CG2 3.39Å; E297-T301 PolarHBondContact O-N 3.45Å; E297-T301 VanDerWaalsContact O-N 3.14Å; E297-T301 PolarHBondContact O-OG1 3.13Å; C298-T301 PolarHBondContact O-OG1 3.47Å; A299-T301 VanDerWaalsContact C-N 3.33Å |
| 302 | I | 92.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | trans | -77.9 | 128.5 | -174.2 | -159.2 | 72.3 | 0 | 0 | 0 | 112.3 | K269 C298 Y304 L307 K308 M311 | K269-I302 HydrophobicContact CD-CD1 4.31Å; C298-I302 WeakPolarHBondContact O-CB 3.5Å; C298-I302 PolarHBondContact O-N 3.36Å; C298-I302 VanDerWaalsContact O-N 3.17Å; I302-Y304 VanDerWaalsContact C-N 3.34Å; I302-Y304 HydrophobicContact CD1-CD2 4.09Å; I302-Y304 HydrophobicContact CG1-CD2 4.13Å; I302-Y304 PolarHBondContact O-N 3.06Å; I302-L307 HydrophobicContact CD1-CD1 3.96Å; I302-L307 HydrophobicContact CG1-CB 4.04Å; I302-L307 HydrophobicContact CG1-CD1 3.92Å; I302-K308 HydrophobicContact CG2-CB 3.95Å; I302-M311 HydrophobicContact CB-CE 4.49Å; I302-M311 HydrophobicContact CG2-CE 4.31Å; I302-M311 HydrophobicContact CG2-SD 4.49Å | ||
| 303 | P | 89.7 | Confident | 94.1 | Very high | 100 Ų | 100 | 37.7 Ų | 37.7 | 65% | 0.649 | 21% | 0.208 | S | C | * | . | trans | -83 | -9.8 | 180 | 32.4 | -35.7 | 0 | 0 | 0 | 113.6 | ||||
| 304 | Y | 92.9 | Very high | 94.4 | Very high | 124 Ų | 124 | 34.9 Ų | 34.9 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | trans | -94.8 | 113.5 | -172.7 | -57.5 | -71.1 | 0 | 0 | 0 | 112.5 | I302 S306 L307 K308 | I302-Y304 VanDerWaalsContact C-N 3.34Å; I302-Y304 HydrophobicContact CD1-CD2 4.09Å; I302-Y304 HydrophobicContact CG1-CD2 4.13Å; I302-Y304 PolarHBondContact O-N 3.06Å; Y304-S306 VanDerWaalsContact C-N 3.26Å; Y304-S306 PolarHBondContact O-N 3.36Å; Y304-S306 VanDerWaalsContact O-N 3.15Å; Y304-L307 HydrophobicContact CD2-CD1 3.96Å; Y304-L307 HydrophobicContact CG-CD1 4.46Å; Y304-L307 PolarHBondContact O-N 3.49Å; Y304-K308 PolarHBondContact O-N 3.14Å | ||
| 305 | N | 92.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 33.9 Ų | 33.9 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -51.3 | -40.7 | 178.2 | -65.8 | -10.2 | 0 | 0 | 0 | 113.7 | L307 K308 L309 H354 | N305-L307 VanDerWaalsContact C-N 3.31Å; N305-L307 PolarHBondContact O-N 2.85Å; N305-K308 PolarHBondContact O-N 3.44Å; N305-L309 WeakPolarHBondContact O-CB 3.25Å; N305-L309 PolarHBondContact O-N 3.03Å; N305-H354 PolarHBondContact OD1-CE1 3.33Å |
| 306 | S | 94.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 34.8 Ų | 34.8 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.4 | -34.2 | 179.8 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | K266 Y304 G310 | K266-S306 VanDerWaalsContact CE-OG 3.28Å; K266-S306 WeakPolarHBondContact CE-OG 3.28Å; K266-S306 PolarHBondContact NZ-OG 3.34Å; Y304-S306 VanDerWaalsContact C-N 3.26Å; Y304-S306 PolarHBondContact O-N 3.36Å; Y304-S306 VanDerWaalsContact O-N 3.15Å; S306-G310 PolarHBondContact O-N 3.32Å |
| 307 | L | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -80 | -43.6 | 178 | -66.8 | -179.8 | 0 | 0 | 0 | 110.4 | K266 K269 R270 I273 I302 Y304 N305 L309 G310 M311 | K266-L307 HydrophobicContact CG-CD1 4.34Å; K266-L307 HydrophobicContact CG-CD2 4.43Å; K269-L307 HydrophobicContact CB-CD1 4.13Å; K269-L307 HydrophobicContact CB-CD2 4Å; K269-L307 HydrophobicContact CD-CD1 3.86Å; R270-L307 HydrophobicContact CG-CD2 3.58Å; I273-L307 HydrophobicContact CD1-CB 4.27Å; I273-L307 HydrophobicContact CD1-CD2 3.82Å; I273-L307 WeakPolarHBondContact CD1-O 3.44Å; I302-L307 HydrophobicContact CD1-CD1 3.96Å; I302-L307 HydrophobicContact CG1-CB 4.04Å; I302-L307 HydrophobicContact CG1-CD1 3.92Å; Y304-L307 HydrophobicContact CD2-CD1 3.96Å; Y304-L307 HydrophobicContact CG-CD1 4.46Å; Y304-L307 PolarHBondContact O-N 3.49Å; N305-L307 VanDerWaalsContact C-N 3.31Å; N305-L307 PolarHBondContact O-N 2.85Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-L309 PolarHBondContact O-N 2.99Å; L307-G310 PolarHBondContact O-N 3.34Å; L307-G310 VanDerWaalsContact O-N 3.09Å; L307-M311 HydrophobicContact CB-CE 4.47Å; L307-M311 WeakPolarHBondContact O-CG 3.5Å; L307-M311 PolarHBondContact O-N 3Å |
| 308 | K | 95.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 33 Ų | 33 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.4 | -47.5 | 174 | -173.2 | 175.2 | -75.7 | -163.4 | 0 | 111 | A299 I302 Y304 N305 G310 M311 L312 E350 V359 | A299-K308 WeakPolarHBondContact O-CE 3.41Å; I302-K308 HydrophobicContact CG2-CB 3.95Å; Y304-K308 PolarHBondContact O-N 3.14Å; N305-K308 PolarHBondContact O-N 3.44Å; K308-G310 VanDerWaalsContact C-N 3.33Å; K308-G310 PolarHBondContact O-N 3.34Å; K308-M311 PolarHBondContact O-N 2.81Å; K308-L312 HydrophobicContact CG-CD1 4.29Å; K308-L312 WeakPolarHBondContact O-CG 3.3Å; K308-L312 PolarHBondContact O-N 3.11Å; K308-E350 IonicContact NZ-OE1 3.85Å; K308-E350 PolarHBondContact NZ-OE1 3.24Å; K308-V359 HydrophobicContact CD-CG1 4.35Å |
| 309 | L | 95.9 | Very high | 94.8 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.8 | -46.3 | 173.9 | 177.3 | 61 | 0 | 0 | 0 | 112.2 | N305 L307 L312 A313 S358 V359 | N305-L309 WeakPolarHBondContact O-CB 3.25Å; N305-L309 PolarHBondContact O-N 3.03Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-L309 PolarHBondContact O-N 2.99Å; L309-L312 PolarHBondContact O-N 2.91Å; L309-A313 WeakPolarHBondContact O-CB 3.5Å; L309-A313 PolarHBondContact O-N 3.48Å; L309-S358 WeakPolarHBondContact CD1-O 3.43Å; L309-V359 HydrophobicContact CB-CG2 3.95Å; L309-V359 HydrophobicContact CD1-CG2 4.22Å |
| 310 | G | 96.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I273 S306 L307 K308 A313 V314 | I273-G310 VanDerWaalsContact CG2-O 3.32Å; I273-G310 WeakPolarHBondContact CG2-O 3.47Å; S306-G310 PolarHBondContact O-N 3.32Å; L307-G310 PolarHBondContact O-N 3.34Å; L307-G310 VanDerWaalsContact O-N 3.09Å; K308-G310 VanDerWaalsContact C-N 3.33Å; K308-G310 PolarHBondContact O-N 3.34Å; G310-A313 WeakPolarHBondContact O-CB 3.06Å; G310-A313 PolarHBondContact O-N 2.77Å; G310-V314 PolarHBondContact O-N 3.28Å |
| 311 | M | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.5 | -63.3 | 177.7 | -165.1 | 0 | 0 | 111.7 | L260 I273 L295 C298 A299 I302 L307 K308 A313 V314 L315 | L260-M311 HydrophobicContact CD1-CE 3.52Å; L260-M311 HydrophobicContact CD2-CE 3.83Å; L260-M311 HydrophobicContact CD2-CG 4.15Å; L260-M311 HydrophobicContact CD2-SD 4.16Å; L260-M311 HydrophobicContact CG-CE 3.71Å; I273-M311 HydrophobicContact CD1-CE 4.34Å; I273-M311 HydrophobicContact CD1-CG 3.86Å; I273-M311 HydrophobicContact CG1-CG 3.95Å; L295-M311 HydrophobicContact CD1-CB 3.97Å; L295-M311 HydrophobicContact CD1-CG 3.88Å; L295-M311 HydrophobicContact CD1-SD 4.32Å; C298-M311 HydrophobicContact CB-CE 4.25Å; C298-M311 HydrophobicContact CB-SD 4.09Å; A299-M311 VanDerWaalsContact CA-SD 3.56Å; A299-M311 HydrophobicContact CB-CB 4.17Å; A299-M311 HydrophobicContact CB-SD 3.76Å; I302-M311 HydrophobicContact CB-CE 4.49Å; I302-M311 HydrophobicContact CG2-CE 4.31Å; I302-M311 HydrophobicContact CG2-SD 4.49Å; L307-M311 HydrophobicContact CB-CE 4.47Å; L307-M311 WeakPolarHBondContact O-CG 3.5Å; L307-M311 PolarHBondContact O-N 3Å; K308-M311 PolarHBondContact O-N 2.81Å; M311-A313 VanDerWaalsContact C-N 3.29Å; M311-A313 PolarHBondContact O-N 2.99Å; M311-V314 WeakPolarHBondContact O-CB 3.22Å; M311-V314 PolarHBondContact O-N 2.87Å; M311-V314 VanDerWaalsContact O-N 3.12Å; M311-L315 PolarHBondContact O-N 3.41Å |
| 312 | L | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 174.6 | -72.6 | 172.9 | 0 | 0 | 0 | 112.5 | K308 L309 V314 L315 S316 L347 C351 V359 H362 | K308-L312 HydrophobicContact CG-CD1 4.29Å; K308-L312 WeakPolarHBondContact O-CG 3.3Å; K308-L312 PolarHBondContact O-N 3.11Å; L309-L312 PolarHBondContact O-N 2.91Å; L312-V314 VanDerWaalsContact C-N 3.29Å; L312-V314 PolarHBondContact O-N 3.25Å; L312-L315 HydrophobicContact CD2-CD1 4.28Å; L312-L315 PolarHBondContact O-N 3.29Å; L312-S316 WeakPolarHBondContact O-CB 3.35Å; L312-S316 PolarHBondContact O-N 3.44Å; L312-L347 HydrophobicContact CD2-CD2 4.15Å; L312-L347 HydrophobicContact CD2-CG 4.23Å; L312-C351 HydrophobicContact CD1-CB 3.83Å; L312-C351 HydrophobicContact CD2-CB 4.34Å; L312-V359 HydrophobicContact CD1-CB 4.35Å; L312-V359 HydrophobicContact CD1-CG1 3.52Å; L312-H362 HydrophobicContact CB-CB 3.75Å |
| 313 | A | 96.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -32.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L309 G310 M311 T317 | L309-A313 WeakPolarHBondContact O-CB 3.5Å; L309-A313 PolarHBondContact O-N 3.48Å; G310-A313 WeakPolarHBondContact O-CB 3.06Å; G310-A313 PolarHBondContact O-N 2.77Å; M311-A313 VanDerWaalsContact C-N 3.29Å; M311-A313 PolarHBondContact O-N 2.99Å; A313-T317 PolarHBondContact O-N 3.12Å; A313-T317 PolarHBondContact O-OG1 3.2Å |
| 314 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -51.2 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | I273 L276 K277 A280 W287 L295 G310 M311 L312 S316 T317 L318 | I273-V314 HydrophobicContact CG2-CG2 4.17Å; I273-V314 WeakPolarHBondContact O-CG2 3.39Å; L276-V314 HydrophobicContact CB-CG1 4.12Å; L276-V314 HydrophobicContact CB-CG2 4.12Å; K277-V314 HydrophobicContact CB-CG2 3.88Å; A280-V314 HydrophobicContact CB-CG1 4.25Å; W287-V314 HydrophobicContact CH2-CG1 3.85Å; W287-V314 HydrophobicContact CZ2-CG1 4.27Å; L295-V314 HydrophobicContact CD2-CB 4.09Å; L295-V314 HydrophobicContact CD2-CG1 3.79Å; G310-V314 PolarHBondContact O-N 3.28Å; M311-V314 WeakPolarHBondContact O-CB 3.22Å; M311-V314 PolarHBondContact O-N 2.87Å; M311-V314 VanDerWaalsContact O-N 3.12Å; L312-V314 VanDerWaalsContact C-N 3.29Å; L312-V314 PolarHBondContact O-N 3.25Å; V314-S316 VanDerWaalsContact C-N 3.33Å; V314-S316 PolarHBondContact O-N 3.2Å; V314-T317 WeakPolarHBondContact O-CA 3.28Å; V314-T317 WeakPolarHBondContact O-CB 3.44Å; V314-T317 PolarHBondContact O-N 2.67Å; V314-L318 HydrophobicContact CG1-CD1 4.09Å; V314-L318 PolarHBondContact O-N 2.93Å |
| 315 | L | 96.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 179.7 | -70 | 171.9 | 0 | 0 | 0 | 112.4 | T292 L295 M311 L312 T317 L318 S319 L344 L347 V366 | T292-L315 HydrophobicContact CG2-CD2 3.87Å; L295-L315 HydrophobicContact CD2-CD2 3.74Å; L295-L315 HydrophobicContact CD2-CG 3.85Å; L295-L315 HydrophobicContact CG-CD2 4.27Å; L295-L315 HydrophobicContact CG-CG 4.3Å; M311-L315 PolarHBondContact O-N 3.41Å; L312-L315 HydrophobicContact CD2-CD1 4.28Å; L312-L315 PolarHBondContact O-N 3.29Å; L315-T317 VanDerWaalsContact C-N 3.29Å; L315-T317 PolarHBondContact O-N 3.01Å; L315-L318 PolarHBondContact O-N 3.48Å; L315-S319 VanDerWaalsContact O-CB 3.29Å; L315-S319 WeakPolarHBondContact O-CB 3.39Å; L315-S319 PolarHBondContact O-N 3.06Å; L315-S319 PolarHBondContact O-OG 3.29Å; L315-L344 HydrophobicContact CD1-CD1 4.18Å; L315-L344 HydrophobicContact CD2-CD1 4.07Å; L315-L347 HydrophobicContact CD1-CD2 3.66Å; L315-V366 HydrophobicContact CB-CG2 4.15Å |
| 316 | S | 95.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -33.1 | 174.6 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | L312 V314 S319 H362 V365 | L312-S316 WeakPolarHBondContact O-CB 3.35Å; L312-S316 PolarHBondContact O-N 3.44Å; V314-S316 VanDerWaalsContact C-N 3.33Å; V314-S316 PolarHBondContact O-N 3.2Å; S316-S319 WeakPolarHBondContact CA-OG 3.24Å; S316-S319 PolarHBondContact O-OG 3.29Å; S316-S319 VanDerWaalsContact O-OG 3.1Å; S316-H362 VanDerWaalsContact CB-ND1 3.29Å; S316-H362 WeakPolarHBondContact CB-ND1 3.39Å; S316-H362 PolarHBondContact OG-ND1 3.44Å; S316-V365 WeakPolarHBondContact OG-CG1 3.08Å |
| 317 | T | 96.5 | Very high | 93.3 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.3 | -47.1 | 172.9 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | A280 K281 A313 V314 L315 S319 G320 T321 | A280-T317 HydrophobicContact CB-CG2 4.08Å; K281-T317 HydrophobicContact CG-CG2 3.81Å; A313-T317 PolarHBondContact O-N 3.12Å; A313-T317 PolarHBondContact O-OG1 3.2Å; V314-T317 WeakPolarHBondContact O-CA 3.28Å; V314-T317 WeakPolarHBondContact O-CB 3.44Å; V314-T317 PolarHBondContact O-N 2.67Å; L315-T317 VanDerWaalsContact C-N 3.29Å; L315-T317 PolarHBondContact O-N 3.01Å; T317-S319 PolarHBondContact O-N 3.33Å; T317-G320 PolarHBondContact O-N 2.89Å; T317-T321 WeakPolarHBondContact O-CG2 3.42Å |
| 318 | L | 95.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 178.9 | -68.5 | 169.6 | 0 | 0 | 0 | 112.3 | A280 P284 W287 V314 L315 G320 T321 A323 | A280-L318 HydrophobicContact CB-CD2 3.59Å; A280-L318 HydrophobicContact CB-CG 3.81Å; P284-L318 HydrophobicContact CB-CD2 4.43Å; W287-L318 HydrophobicContact CB-CD2 4.44Å; W287-L318 HydrophobicContact CD2-CD1 3.71Å; W287-L318 HydrophobicContact CD2-CD2 3.76Å; W287-L318 HydrophobicContact CD2-CG 4.39Å; W287-L318 HydrophobicContact CE3-CD1 3.5Å; W287-L318 VanDerWaalsContact CE3-CD1 3.5Å; W287-L318 HydrophobicContact CE3-CD2 4.41Å; W287-L318 HydrophobicContact CG-CD1 4.43Å; W287-L318 HydrophobicContact CG-CD2 3.75Å; W287-L318 HydrophobicContact CH2-CD1 3.85Å; W287-L318 HydrophobicContact CZ2-CD1 4.07Å; W287-L318 HydrophobicContact CZ2-CD2 4.4Å; W287-L318 HydrophobicContact CZ3-CD1 3.58Å; V314-L318 HydrophobicContact CG1-CD1 4.09Å; V314-L318 PolarHBondContact O-N 2.93Å; L315-L318 PolarHBondContact O-N 3.48Å; L318-G320 PolarHBondContact O-N 2.96Å; L318-G320 VanDerWaalsContact O-N 3.16Å; L318-T321 PolarHBondContact O-N 3.48Å; L318-T321 PolarHBondContact O-OG1 3.06Å; L318-A323 HydrophobicContact CB-CB 4.33Å; L318-A323 HydrophobicContact CD2-CB 4.14Å |
| 319 | S | 93.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -19.1 | -178.4 | 76.4 | 0 | 0 | 0 | 0 | 113 | L315 S316 T317 T321 S369 | L315-S319 VanDerWaalsContact O-CB 3.29Å; L315-S319 WeakPolarHBondContact O-CB 3.39Å; L315-S319 PolarHBondContact O-N 3.06Å; L315-S319 PolarHBondContact O-OG 3.29Å; S316-S319 WeakPolarHBondContact CA-OG 3.24Å; S316-S319 PolarHBondContact O-OG 3.29Å; S316-S319 VanDerWaalsContact O-OG 3.1Å; T317-S319 PolarHBondContact O-N 3.33Å; S319-T321 VanDerWaalsContact C-N 3.34Å; S319-S369 VanDerWaalsContact O-CB 3.24Å; S319-S369 WeakPolarHBondContact O-CB 3.36Å; S319-S369 PolarHBondContact O-OG 2.93Å; S319-S369 PolarHBondContact OG-OG 3.32Å |
| 320 | G | 90.7 | Very high | 89.8 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 51% | 0.505 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T317 L318 | T317-G320 PolarHBondContact O-N 2.89Å; L318-G320 PolarHBondContact O-N 2.96Å; L318-G320 VanDerWaalsContact O-N 3.16Å |
| 321 | T | 93.2 | Very high | 87.7 | Confident | 44 Ų | 44 | 38 Ų | 38 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -120.6 | -176.4 | -171.7 | 72.1 | 0 | 0 | 0 | 0 | 112 | P284 T317 L318 S319 A323 I324 | P284-T321 HydrophobicContact CB-CG2 3.88Å; P284-T321 WeakPolarHBondContact CB-OG1 3.32Å; P284-T321 HydrophobicContact CG-CG2 4.07Å; T317-T321 WeakPolarHBondContact O-CG2 3.42Å; L318-T321 PolarHBondContact O-N 3.48Å; L318-T321 PolarHBondContact O-OG1 3.06Å; S319-T321 VanDerWaalsContact C-N 3.34Å; T321-A323 PolarHBondContact O-N 2.87Å; T321-A323 VanDerWaalsContact O-N 3.16Å; T321-A323 WeakPolarHBondContact OG1-CB 3.47Å; T321-A323 PolarHBondContact OG1-N 3.21Å; T321-I324 WeakPolarHBondContact O-CG2 3.43Å; T321-I324 PolarHBondContact O-N 3.44Å |
| 322 | I | 89.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -17.9 | 175 | 66.4 | 168.6 | 0 | 0 | 0 | 113.9 | H285 I324 K325 Q326 | H285-I322 HydrophobicContact CB-CD1 3.57Å; H285-I322 HydrophobicContact CB-CG1 4.2Å; I322-I324 PolarHBondContact O-N 2.96Å; I322-K325 PolarHBondContact O-N 3.38Å; I322-K325 VanDerWaalsContact O-N 3.08Å; I322-Q326 PolarHBondContact O-N 2.78Å |
| 323 | A | 90.8 | Very high | 82.7 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -34.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L318 T321 Q326 Y327 | L318-A323 HydrophobicContact CB-CB 4.33Å; L318-A323 HydrophobicContact CD2-CB 4.14Å; T321-A323 PolarHBondContact O-N 2.87Å; T321-A323 VanDerWaalsContact O-N 3.16Å; T321-A323 WeakPolarHBondContact OG1-CB 3.47Å; T321-A323 PolarHBondContact OG1-N 3.21Å; A323-Q326 PolarHBondContact O-N 3.37Å; A323-Y327 WeakPolarHBondContact O-CB 3.28Å; A323-Y327 PolarHBondContact O-N 2.93Å |
| 324 | I | 89.1 | Confident | 80.2 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177.6 | -160.6 | 58.5 | 0 | 0 | 0 | 112.1 | T321 I322 Y327 F328 L344 I370 S373 | T321-I324 WeakPolarHBondContact O-CG2 3.43Å; T321-I324 PolarHBondContact O-N 3.44Å; I322-I324 PolarHBondContact O-N 2.96Å; I324-Y327 WeakPolarHBondContact O-CB 3.32Å; I324-Y327 PolarHBondContact O-N 3.03Å; I324-F328 HydrophobicContact CD1-CD2 4.41Å; I324-F328 HydrophobicContact CD1-CE2 3.73Å; I324-F328 HydrophobicContact CG1-CD2 4.3Å; I324-F328 HydrophobicContact CG1-CE2 3.93Å; I324-F328 WeakPolarHBondContact O-CD2 3.46Å; I324-F328 PolarHBondContact O-N 3.46Å; I324-L344 HydrophobicContact CD1-CD2 3.82Å; I324-I370 HydrophobicContact CD1-CG1 4.01Å; I324-S373 WeakPolarHBondContact CG2-OG 3.15Å |
| 325 | K | 85 | Confident | 77.5 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.3 | -45.8 | 177.1 | -64.8 | -177 | 177.1 | -176.6 | 0 | 109.8 | I322 Y327 F328 S329 | I322-K325 PolarHBondContact O-N 3.38Å; I322-K325 VanDerWaalsContact O-N 3.08Å; K325-Y327 VanDerWaalsContact C-N 3.26Å; K325-Y327 PolarHBondContact O-N 3.18Å; K325-F328 PolarHBondContact O-N 3.07Å; K325-S329 PolarHBondContact O-N 2.99Å; K325-S329 PolarHBondContact O-OG 3.06Å |
| 326 | Q | 84.8 | Confident | 74.8 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59 | -36.9 | 175 | -71.3 | 176 | -26.4 | 0 | 0 | 112.5 | I322 A323 F328 S329 | I322-Q326 PolarHBondContact O-N 2.78Å; A323-Q326 PolarHBondContact O-N 3.37Å; Q326-F328 VanDerWaalsContact C-N 3.33Å; Q326-F328 PolarHBondContact O-N 3.48Å; Q326-S329 PolarHBondContact O-N 3.3Å |
| 327 | Y | 85.4 | Confident | 72.2 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 2% | 0.024 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 176.8 | -175.3 | -98.1 | 0 | 0 | 0 | 112.2 | R289 T292 Q293 A323 I324 K325 T342 L344 | R289-Y327 HydrophobicContact CB-CD2 4.35Å; R289-Y327 HydrophobicContact CG-CD2 3.92Å; R289-Y327 HydrophobicContact CG-CE2 3.81Å; R289-Y327 VanDerWaalsContact CZ-O 3.29Å; R289-Y327 PolarHBondContact NE-O 3.32Å; R289-Y327 PolarHBondContact NH2-O 3.4Å; T292-Y327 HydrophobicContact CG2-CD2 3.86Å; T292-Y327 HydrophobicContact CG2-CE2 3.75Å; Q293-Y327 HydrophobicContact CG-CE2 4.14Å; A323-Y327 WeakPolarHBondContact O-CB 3.28Å; A323-Y327 PolarHBondContact O-N 2.93Å; I324-Y327 WeakPolarHBondContact O-CB 3.32Å; I324-Y327 PolarHBondContact O-N 3.03Å; K325-Y327 VanDerWaalsContact C-N 3.26Å; K325-Y327 PolarHBondContact O-N 3.18Å; Y327-T342 HydrophobicContact CE1-CG2 4Å; Y327-T342 WeakPolarHBondContact OH-CB 3.47Å; Y327-L344 HydrophobicContact CD1-CD2 4.01Å; Y327-L344 HydrophobicContact CE1-CB 4.06Å; Y327-L344 HydrophobicContact CE1-CD2 3.84Å |
| 328 | F | 78.9 | Confident | 69.5 | Low | 48 Ų | 48 | 69.4 Ų | 69.4 | 21% | 0.211 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -86.6 | -22.4 | 180 | -68.2 | -67.9 | 0 | 0 | 0 | 114.4 | I324 K325 Q326 T330 I370 | I324-F328 HydrophobicContact CD1-CD2 4.41Å; I324-F328 HydrophobicContact CD1-CE2 3.73Å; I324-F328 HydrophobicContact CG1-CD2 4.3Å; I324-F328 HydrophobicContact CG1-CE2 3.93Å; I324-F328 WeakPolarHBondContact O-CD2 3.46Å; I324-F328 PolarHBondContact O-N 3.46Å; K325-F328 PolarHBondContact O-N 3.07Å; Q326-F328 VanDerWaalsContact C-N 3.33Å; Q326-F328 PolarHBondContact O-N 3.48Å; F328-T330 PolarHBondContact O-N 3.47Å; F328-I370 HydrophobicContact CE2-CB 4.47Å; F328-I370 HydrophobicContact CE2-CG1 4.15Å; F328-I370 HydrophobicContact CE2-CG2 3.89Å; F328-I370 HydrophobicContact CZ-CB 4.49Å; F328-I370 HydrophobicContact CZ-CG1 4.18Å; F328-I370 HydrophobicContact CZ-CG2 3.6Å |
| 329 | S | 74.8 | Confident | 67.1 | Low | 76 Ų | 76 | 73.7 Ų | 73.7 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 123.6 | 175.3 | -69 | 0 | 0 | 0 | 0 | 111.4 | R289 K325 Q326 A331 | R289-S329 PolarHBondContact NH2-O 3.48Å; K325-S329 PolarHBondContact O-N 2.99Å; K325-S329 PolarHBondContact O-OG 3.06Å; Q326-S329 PolarHBondContact O-N 3.3Å; S329-A331 PolarHBondContact O-N 3.44Å |
| 330 | T | 59.3 | Low | 64.7 | Low | 103 Ų | 103 | 84.7 Ų | 84.7 | 63% | 0.632 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 118 | 166.5 | 29.3 | 0 | 0 | 0 | 0 | 109.6 | F328 A332 | F328-T330 PolarHBondContact O-N 3.47Å; T330-A332 PolarHBondContact O-N 3.22Å |
| 331 | A | 52 | Low | 63 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 124.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S329 G333 S334 | S329-A331 PolarHBondContact O-N 3.44Å; A331-G333 PolarHBondContact O-N 2.61Å; A331-S334 PolarHBondContact O-N 3.49Å; A331-S334 PolarHBondContact O-OG 3.48Å |
| 332 | A | 44.3 | Very low | 61.8 | Low | 113 Ų | 113 | 87.4 Ų | 87.4 | 93% | 0.934 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 110.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | T330 | T330-A332 PolarHBondContact O-N 3.22Š|
| 333 | G | 46.5 | Very low | 61.3 | Low | 85 Ų | 85 | 86 Ų | 86 | 88% | 0.876 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.8 | -8.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A331 | A331-G333 PolarHBondContact O-N 2.61Š|
| 334 | S | 44.3 | Very low | 61.2 | Low | 63 Ų | 63 | 85.9 Ų | 85.9 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | trans | -95 | 104.1 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | A331 S336 | A331-S334 PolarHBondContact O-N 3.49Å; A331-S334 PolarHBondContact O-OG 3.48Å; S334-S336 VanDerWaalsContact C-N 3.26Å; S334-S336 PolarHBondContact O-N 2.85Å | ||
| 335 | S | 41.8 | Very low | 61.2 | Low | 131 Ų | 131 | 85.8 Ų | 85.8 | 92% | 0.916 | 52% | 0.516 | S | S | * | . | trans | -70.7 | 83.7 | 168.8 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | S | 39.9 | Very low | 61.3 | Low | 78 Ų | 78 | 85.1 Ų | 85.1 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | trans | -133.1 | 139.1 | 168 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | S334 | S334-S336 VanDerWaalsContact C-N 3.26Å; S334-S336 PolarHBondContact O-N 2.85Å | ||
| 337 | I | 40 | Very low | 61.7 | Low | 148 Ų | 148 | 81.2 Ų | 81.2 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | trans | -35.6 | 140 | -177 | -60.8 | 149.9 | 0 | 0 | 0 | 112.2 | ||||
| 338 | P | 41.3 | Very low | 62 | Low | 112 Ų | 112 | 81 Ų | 81 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 127.5 | 172.4 | 24.1 | -32.4 | 0 | 0 | 0 | 109 | R340 | P338-R340 PolarHBondContact O-N 3.17Š|
| 339 | P | 43.8 | Very low | 62.6 | Low | 96 Ų | 96 | 81 Ų | 81 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -64 | 123.5 | -166 | 24 | -32.6 | 0 | 0 | 0 | 110.8 | T342 | P339-T342 HydrophobicContact CB-CG2 4.12Š|
| 340 | R | 44.5 | Very low | 63.4 | Low | 235 Ų | 235 | 81.8 Ų | 81.8 | 89% | 0.887 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 141 | 152.1 | -71.2 | 178.2 | 174.6 | 178.4 | -2.4 | 107 | P338 T342 | P338-R340 PolarHBondContact O-N 3.17Å; R340-T342 PolarHBondContact O-N 3.44Å |
| 341 | L | 53 | Low | 65.1 | Low | 128 Ų | 128 | 76.9 Ų | 76.9 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -23.3 | 108.5 | 175.7 | -70.9 | 157.2 | 0 | 0 | 0 | 111.8 | V345 | L341-V345 HydrophobicContact CD2-CB 4.48Å; L341-V345 HydrophobicContact CD2-CG1 3.83Å |
| 342 | T | 69.9 | Low | 67 | Low | 22 Ų | 22 | 73.6 Ų | 73.6 | 14% | 0.135 | 43% | 0.434 | C | S | . | . | trans | -63.3 | 151.4 | -171.9 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | Y327 P339 R340 L344 V345 K346 | Y327-T342 HydrophobicContact CE1-CG2 4Å; Y327-T342 WeakPolarHBondContact OH-CB 3.47Å; P339-T342 HydrophobicContact CB-CG2 4.12Å; R340-T342 PolarHBondContact O-N 3.44Å; T342-L344 PolarHBondContact O-N 3.4Å; T342-V345 PolarHBondContact O-N 3.18Å; T342-K346 PolarHBondContact O-N 3.5Å | ||
| 343 | D | 78.2 | Confident | 69.4 | Low | 62 Ų | 62 | 73.7 Ų | 73.7 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -51.9 | -25.8 | 179.2 | -70.3 | -45.5 | 0 | 0 | 0 | 113.2 | C296 L300 L347 | C296-D343 HydrophobicContact CB-CB 4.12Å; L300-D343 HydrophobicContact CD1-CB 4.39Å; D343-L347 WeakPolarHBondContact O-CB 3.28Å; D343-L347 PolarHBondContact O-N 2.95Å |
| 344 | L | 88.5 | Confident | 71.7 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 172.8 | -179.5 | 63 | 0 | 0 | 0 | 112.8 | T292 L315 I324 Y327 T342 A348 V366 I370 | T292-L344 HydrophobicContact CG2-CD2 4.36Å; L315-L344 HydrophobicContact CD1-CD1 4.18Å; L315-L344 HydrophobicContact CD2-CD1 4.07Å; I324-L344 HydrophobicContact CD1-CD2 3.82Å; Y327-L344 HydrophobicContact CD1-CD2 4.01Å; Y327-L344 HydrophobicContact CE1-CB 4.06Å; Y327-L344 HydrophobicContact CE1-CD2 3.84Å; T342-L344 PolarHBondContact O-N 3.4Å; L344-A348 VanDerWaalsContact O-CB 3.27Å; L344-A348 WeakPolarHBondContact O-CB 3.3Å; L344-A348 PolarHBondContact O-N 2.84Å; L344-V366 HydrophobicContact CD1-CG1 3.91Å; L344-V366 HydrophobicContact CG-CG1 4.39Å; L344-I370 HydrophobicContact CD2-CD1 4.2Å; L344-I370 HydrophobicContact CG-CD1 4.03Å |
| 345 | V | 88.2 | Confident | 74 | Confident | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.036 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | L341 T342 L347 A348 Q349 I370 L382 | L341-V345 HydrophobicContact CD2-CB 4.48Å; L341-V345 HydrophobicContact CD2-CG1 3.83Å; T342-V345 PolarHBondContact O-N 3.18Å; V345-L347 PolarHBondContact O-N 3.15Å; V345-A348 PolarHBondContact O-N 3.34Å; V345-Q349 HydrophobicContact CG1-CG 4.34Å; V345-Q349 WeakPolarHBondContact O-CB 3.14Å; V345-Q349 WeakPolarHBondContact O-CG 3.28Å; V345-Q349 PolarHBondContact O-N 3.24Å; V345-I370 HydrophobicContact CG2-CD1 4.23Å; V345-I370 HydrophobicContact CG2-CG2 4.26Å; V345-L382 HydrophobicContact CG1-CD1 3.84Å |
| 346 | K | 87.9 | Confident | 76.5 | Confident | 118 Ų | 118 | 69.8 Ų | 69.8 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 178.1 | -177.2 | -176.5 | 175.9 | -173.9 | 0 | 112 | T342 A348 Q349 E350 | T342-K346 PolarHBondContact O-N 3.5Å; K346-A348 VanDerWaalsContact C-N 3.31Å; K346-A348 PolarHBondContact O-N 3.35Å; K346-Q349 PolarHBondContact O-N 3.26Å; K346-E350 PolarHBondContact O-N 3.27Å |
| 347 | L | 92.2 | Very high | 79 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.1 | 173.7 | 66.8 | 0 | 0 | 0 | 111.1 | C296 A299 L300 L312 L315 D343 V345 E350 C351 | C296-L347 HydrophobicContact CB-CD2 4.06Å; A299-L347 HydrophobicContact CB-CD1 3.94Å; A299-L347 HydrophobicContact CB-CD2 3.68Å; A299-L347 HydrophobicContact CB-CG 4.49Å; L300-L347 HydrophobicContact CD2-CB 4.02Å; L300-L347 HydrophobicContact CD2-CD1 3.68Å; L300-L347 HydrophobicContact CD2-CG 4.46Å; L300-L347 HydrophobicContact CG-CB 4.25Å; L300-L347 HydrophobicContact CG-CD1 3.93Å; L312-L347 HydrophobicContact CD2-CD2 4.15Å; L312-L347 HydrophobicContact CD2-CG 4.23Å; L315-L347 HydrophobicContact CD1-CD2 3.66Å; D343-L347 WeakPolarHBondContact O-CB 3.28Å; D343-L347 PolarHBondContact O-N 2.95Å; V345-L347 PolarHBondContact O-N 3.15Å; L347-E350 PolarHBondContact O-N 3.47Å; L347-C351 VanDerWaalsContact CD1-SG 3.51Å; L347-C351 VanDerWaalsContact O-CB 3.25Å; L347-C351 WeakPolarHBondContact O-CB 3.44Å; L347-C351 PolarHBondContact O-N 3.02Å; L347-C351 PolarHBondContact O-SG 3.2Å |
| 348 | A | 92.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.9 | -38 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L344 V345 K346 C351 C352 V366 L367 | L344-A348 VanDerWaalsContact O-CB 3.27Å; L344-A348 WeakPolarHBondContact O-CB 3.3Å; L344-A348 PolarHBondContact O-N 2.84Å; V345-A348 PolarHBondContact O-N 3.34Å; K346-A348 VanDerWaalsContact C-N 3.31Å; K346-A348 PolarHBondContact O-N 3.35Å; A348-C351 PolarHBondContact O-N 3.17Å; A348-C352 WeakPolarHBondContact O-CB 3.38Å; A348-C352 PolarHBondContact O-N 3.31Å; A348-V366 HydrophobicContact CB-CB 4.24Å; A348-V366 HydrophobicContact CB-CG1 3.85Å; A348-L367 HydrophobicContact CB-CD2 3.54Å; A348-L367 HydrophobicContact CB-CG 3.62Å |
| 349 | Q | 91.4 | Very high | 84.1 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 23% | 0.229 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 171.2 | -75.7 | 174.1 | -41.3 | 0 | 0 | 112.7 | V345 K346 C352 Y353 L367 D385 | V345-Q349 HydrophobicContact CG1-CG 4.34Å; V345-Q349 WeakPolarHBondContact O-CB 3.14Å; V345-Q349 WeakPolarHBondContact O-CG 3.28Å; V345-Q349 PolarHBondContact O-N 3.24Å; K346-Q349 PolarHBondContact O-N 3.26Å; Q349-C352 PolarHBondContact O-SG 3.26Å; Q349-Y353 WeakPolarHBondContact O-CD2 2.95Å; Q349-L367 HydrophobicContact CG-CD2 3.99Å; Q349-D385 PolarHBondContact NE2-OD2 3.25Å |
| 350 | E | 91.9 | Very high | 86.6 | Confident | 91 Ų | 91 | 53.2 Ų | 53.2 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 173.9 | -174.2 | -166.8 | 130.2 | 0 | 0 | 111 | L300 K308 K346 L347 | L300-E350 WeakPolarHBondContact CD2-OE2 3.46Å; K308-E350 IonicContact NZ-OE1 3.85Å; K308-E350 PolarHBondContact NZ-OE1 3.24Å; K346-E350 PolarHBondContact O-N 3.27Å; L347-E350 PolarHBondContact O-N 3.47Å |
| 351 | C | 94 | Very high | 89 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.4 | -29.3 | -172.6 | -68.2 | 0 | 0 | 0 | 0 | 113.2 | L312 L347 A348 Y353 H354 V359 A360 | L312-C351 HydrophobicContact CD1-CB 3.83Å; L312-C351 HydrophobicContact CD2-CB 4.34Å; L347-C351 VanDerWaalsContact CD1-SG 3.51Å; L347-C351 VanDerWaalsContact O-CB 3.25Å; L347-C351 WeakPolarHBondContact O-CB 3.44Å; L347-C351 PolarHBondContact O-N 3.02Å; L347-C351 PolarHBondContact O-SG 3.2Å; A348-C351 PolarHBondContact O-N 3.17Å; C351-Y353 PolarHBondContact O-N 3.26Å; C351-H354 WeakPolarHBondContact O-CB 2.89Å; C351-H354 PolarHBondContact O-N 3.33Å; C351-V359 HydrophobicContact CB-CG1 4.1Å; C351-A360 WeakPolarHBondContact O-CA 3.29Å |
| 352 | C | 93.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.8 | -178.8 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | A348 Q349 A360 V364 L367 | A348-C352 WeakPolarHBondContact O-CB 3.38Å; A348-C352 PolarHBondContact O-N 3.31Å; Q349-C352 PolarHBondContact O-SG 3.26Å; C352-A360 WeakPolarHBondContact O-CB 3.39Å; C352-V364 HydrophobicContact CB-CG2 3.92Å; C352-L367 HydrophobicContact CB-CD1 3.74Å; C352-L367 VanDerWaalsContact SG-CD1 3.58Å |
| 353 | Y | 94.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 45% | 0.447 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 17.5 | 174.5 | -58.1 | -71.4 | 0 | 0 | 0 | 113.4 | Q349 C351 G389 | Q349-Y353 WeakPolarHBondContact O-CD2 2.95Å; C351-Y353 PolarHBondContact O-N 3.26Å; Y353-G389 PolarHBondContact OH-N 3.45Å |
| 354 | H | 94.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | trans | -69.7 | 144.8 | -177.4 | -165.8 | -86.6 | 0 | 0 | 0 | 112.2 | N305 C351 N356 V359 | N305-H354 PolarHBondContact OD1-CE1 3.33Å; C351-H354 WeakPolarHBondContact O-CB 2.89Å; C351-H354 PolarHBondContact O-N 3.33Å; H354-N356 WeakPolarHBondContact ND1-CB 3.34Å; H354-N356 PolarHBondContact ND1-N 3.1Å; H354-N356 PolarHBondContact O-N 2.73Å; H354-V359 HydrophobicContact CB-CB 4.08Å; H354-V359 HydrophobicContact CB-CG1 3.62Å | ||
| 355 | S | 92.9 | Very high | 93.5 | Very high | 114 Ų | 114 | 35.3 Ų | 35.3 | 80% | 0.797 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -62.5 | -13.1 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 356 | N | 93.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 35 Ų | 35 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -101.5 | 113.2 | 174.8 | -176.7 | -56.7 | 0 | 0 | 0 | 108.1 | H354 S358 V359 A360 | H354-N356 WeakPolarHBondContact ND1-CB 3.34Å; H354-N356 PolarHBondContact ND1-N 3.1Å; H354-N356 PolarHBondContact O-N 2.73Å; N356-S358 PolarHBondContact O-N 2.88Å; N356-S358 WeakPolarHBondContact OD1-CB 3.5Å; N356-S358 PolarHBondContact OD1-N 3.33Å; N356-S358 VanDerWaalsContact OD1-N 3.07Å; N356-V359 HydrophobicContact CB-CB 4.2Å; N356-V359 HydrophobicContact CB-CG2 3.94Å; N356-V359 WeakPolarHBondContact O-CA 3.29Å; N356-V359 WeakPolarHBondContact O-CB 3.4Å; N356-V359 PolarHBondContact O-N 2.83Å; N356-V359 PolarHBondContact OD1-N 3.04Å; N356-A360 PolarHBondContact O-N 3.2Å |
| 357 | L | 93.8 | Very high | 94 | Very high | 42 Ų | 42 | 29.4 Ų | 29.4 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -32.6 | -172.6 | -57 | -179.4 | 0 | 0 | 0 | 113.1 | A360 A361 L393 L396 T408 | L357-A360 PolarHBondContact O-N 3.44Å; L357-A361 WeakPolarHBondContact O-CB 3.16Å; L357-A361 PolarHBondContact O-N 2.93Å; L357-L393 HydrophobicContact CB-CD1 4.29Å; L357-L393 HydrophobicContact CD2-CD1 4.1Å; L357-L396 HydrophobicContact CD2-CB 3.77Å; L357-L396 HydrophobicContact CD2-CD1 3.71Å; L357-L396 HydrophobicContact CD2-CG 4.36Å; L357-T408 HydrophobicContact CB-CG2 3.94Å; L357-T408 WeakPolarHBondContact O-CG2 3.36Å |
| 358 | S | 93.5 | Very high | 94.1 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70 | -34.1 | 176.5 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | L309 N356 H362 | L309-S358 WeakPolarHBondContact CD1-O 3.43Å; N356-S358 PolarHBondContact O-N 2.88Å; N356-S358 WeakPolarHBondContact OD1-CB 3.5Å; N356-S358 PolarHBondContact OD1-N 3.33Å; N356-S358 VanDerWaalsContact OD1-N 3.07Å; S358-H362 PolarHBondContact O-CD2 3.47Å; S358-H362 PolarHBondContact O-N 3.43Å |
| 359 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | K308 L309 L312 C351 H354 N356 A361 H362 G363 | K308-V359 HydrophobicContact CD-CG1 4.35Å; L309-V359 HydrophobicContact CB-CG2 3.95Å; L309-V359 HydrophobicContact CD1-CG2 4.22Å; L312-V359 HydrophobicContact CD1-CB 4.35Å; L312-V359 HydrophobicContact CD1-CG1 3.52Å; C351-V359 HydrophobicContact CB-CG1 4.1Å; H354-V359 HydrophobicContact CB-CB 4.08Å; H354-V359 HydrophobicContact CB-CG1 3.62Å; N356-V359 HydrophobicContact CB-CB 4.2Å; N356-V359 HydrophobicContact CB-CG2 3.94Å; N356-V359 WeakPolarHBondContact O-CA 3.29Å; N356-V359 WeakPolarHBondContact O-CB 3.4Å; N356-V359 PolarHBondContact O-N 2.83Å; N356-V359 PolarHBondContact OD1-N 3.04Å; V359-A361 PolarHBondContact O-N 3.37Å; V359-H362 PolarHBondContact O-N 3.03Å; V359-G363 PolarHBondContact O-N 3.3Å |
| 360 | A | 95.6 | Very high | 94 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C351 C352 N356 L357 H362 G363 V364 L393 | C351-A360 WeakPolarHBondContact O-CA 3.29Å; C352-A360 WeakPolarHBondContact O-CB 3.39Å; N356-A360 PolarHBondContact O-N 3.2Å; L357-A360 PolarHBondContact O-N 3.44Å; A360-H362 PolarHBondContact O-N 3.3Å; A360-G363 WeakPolarHBondContact O-CA 3.44Å; A360-G363 PolarHBondContact O-N 3Å; A360-G363 VanDerWaalsContact O-N 3.14Å; A360-V364 WeakPolarHBondContact O-CG2 3.39Å; A360-V364 PolarHBondContact O-N 2.97Å; A360-L393 HydrophobicContact CB-CD1 3.87Å |
| 361 | A | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L357 V359 G363 V364 V365 L393 T408 T411 | L357-A361 WeakPolarHBondContact O-CB 3.16Å; L357-A361 PolarHBondContact O-N 2.93Å; V359-A361 PolarHBondContact O-N 3.37Å; A361-G363 VanDerWaalsContact C-N 3.34Å; A361-V364 PolarHBondContact O-N 3.27Å; A361-V365 VanDerWaalsContact O-CG2 3.23Å; A361-V365 WeakPolarHBondContact O-CG2 3.47Å; A361-V365 PolarHBondContact O-N 2.65Å; A361-L393 VanDerWaalsContact CA-CD2 3.47Å; A361-L393 HydrophobicContact CB-CD2 3.89Å; A361-T408 HydrophobicContact CB-CG2 3.71Å; A361-T411 HydrophobicContact CB-CG2 4.26Å |
| 362 | H | 96.2 | Very high | 93.7 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 22% | 0.218 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | 176.6 | -77.3 | -68.3 | 0 | 0 | 0 | 112.5 | L312 S316 S358 V359 A360 V365 V366 | L312-H362 HydrophobicContact CB-CB 3.75Å; S316-H362 VanDerWaalsContact CB-ND1 3.29Å; S316-H362 WeakPolarHBondContact CB-ND1 3.39Å; S316-H362 PolarHBondContact OG-ND1 3.44Å; S358-H362 PolarHBondContact O-CD2 3.47Å; S358-H362 PolarHBondContact O-N 3.43Å; V359-H362 PolarHBondContact O-N 3.03Å; A360-H362 PolarHBondContact O-N 3.3Å; H362-V365 PolarHBondContact O-N 2.94Å; H362-V366 VanDerWaalsContact O-CG2 3.31Å; H362-V366 WeakPolarHBondContact O-CG2 3.49Å; H362-V366 PolarHBondContact O-N 2.99Å |
| 363 | G | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V359 A360 A361 V365 V366 L367 | V359-G363 PolarHBondContact O-N 3.3Å; A360-G363 WeakPolarHBondContact O-CA 3.44Å; A360-G363 PolarHBondContact O-N 3Å; A360-G363 VanDerWaalsContact O-N 3.14Å; A361-G363 VanDerWaalsContact C-N 3.34Å; G363-V365 PolarHBondContact O-N 2.95Å; G363-V366 PolarHBondContact O-N 3.42Å; G363-L367 WeakPolarHBondContact O-CG 3.49Å; G363-L367 PolarHBondContact O-N 3.24Å |
| 364 | V | 95.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 176.2 | 165.8 | 0 | 0 | 0 | 0 | 112.2 | C352 A360 A361 V366 L367 S368 V390 L393 | C352-V364 HydrophobicContact CB-CG2 3.92Å; A360-V364 WeakPolarHBondContact O-CG2 3.39Å; A360-V364 PolarHBondContact O-N 2.97Å; A361-V364 PolarHBondContact O-N 3.27Å; V364-V366 VanDerWaalsContact C-N 3.35Å; V364-V366 PolarHBondContact O-N 2.81Å; V364-L367 PolarHBondContact O-N 3.47Å; V364-S368 VanDerWaalsContact O-CB 3.27Å; V364-S368 WeakPolarHBondContact O-CB 3.49Å; V364-S368 PolarHBondContact O-N 3.24Å; V364-S368 PolarHBondContact O-OG 3.19Å; V364-V390 HydrophobicContact CG1-CB 4.35Å; V364-V390 HydrophobicContact CG1-CG2 3.37Å; V364-L393 HydrophobicContact CB-CD2 4.47Å; V364-L393 HydrophobicContact CG2-CD2 4.14Å |
| 365 | V | 95.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 13% | 0.133 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | S316 A361 H362 G363 S369 T411 S415 | S316-V365 WeakPolarHBondContact OG-CG1 3.08Å; A361-V365 VanDerWaalsContact O-CG2 3.23Å; A361-V365 WeakPolarHBondContact O-CG2 3.47Å; A361-V365 PolarHBondContact O-N 2.65Å; H362-V365 PolarHBondContact O-N 2.94Å; G363-V365 PolarHBondContact O-N 2.95Å; V365-S369 WeakPolarHBondContact O-CB 3.46Å; V365-S369 PolarHBondContact O-N 3.26Å; V365-T411 HydrophobicContact CG2-CG2 3.45Å; V365-T411 VanDerWaalsContact CG2-CG2 3.45Å; V365-S415 VanDerWaalsContact CG2-OG 3.27Å; V365-S415 WeakPolarHBondContact CG2-OG 3.47Å |
| 366 | V | 94.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L315 L344 A348 H362 G363 V364 S368 S369 I370 | L315-V366 HydrophobicContact CB-CG2 4.15Å; L344-V366 HydrophobicContact CD1-CG1 3.91Å; L344-V366 HydrophobicContact CG-CG1 4.39Å; A348-V366 HydrophobicContact CB-CB 4.24Å; A348-V366 HydrophobicContact CB-CG1 3.85Å; H362-V366 VanDerWaalsContact O-CG2 3.31Å; H362-V366 WeakPolarHBondContact O-CG2 3.49Å; H362-V366 PolarHBondContact O-N 2.99Å; G363-V366 PolarHBondContact O-N 3.42Å; V364-V366 VanDerWaalsContact C-N 3.35Å; V364-V366 PolarHBondContact O-N 2.81Å; V366-S368 PolarHBondContact O-N 3.47Å; V366-S369 WeakPolarHBondContact O-CB 3.45Å; V366-S369 PolarHBondContact O-N 3.4Å; V366-I370 HydrophobicContact CG1-CD1 3.78Å; V366-I370 HydrophobicContact CG1-CG1 4.44Å; V366-I370 VanDerWaalsContact O-CG1 3.24Å; V366-I370 WeakPolarHBondContact O-CG1 3.08Å; V366-I370 PolarHBondContact O-N 3.26Å |
| 367 | L | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 175.8 | -76.3 | 178.3 | 0 | 0 | 0 | 112.1 | A348 Q349 C352 G363 V364 S369 I370 A371 L382 T386 | A348-L367 HydrophobicContact CB-CD2 3.54Å; A348-L367 HydrophobicContact CB-CG 3.62Å; Q349-L367 HydrophobicContact CG-CD2 3.99Å; C352-L367 HydrophobicContact CB-CD1 3.74Å; C352-L367 VanDerWaalsContact SG-CD1 3.58Å; G363-L367 WeakPolarHBondContact O-CG 3.49Å; G363-L367 PolarHBondContact O-N 3.24Å; V364-L367 PolarHBondContact O-N 3.47Å; L367-S369 VanDerWaalsContact C-N 3.34Å; L367-S369 PolarHBondContact O-N 3.32Å; L367-I370 WeakPolarHBondContact O-CB 3.35Å; L367-I370 PolarHBondContact O-N 3.48Å; L367-I370 VanDerWaalsContact O-N 3.1Å; L367-A371 PolarHBondContact O-N 2.87Å; L367-L382 HydrophobicContact CD2-CD1 4Å; L367-T386 HydrophobicContact CB-CG2 4.15Å |
| 368 | S | 93.8 | Very high | 85.9 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | V364 V366 I370 A371 I372 T386 | V364-S368 VanDerWaalsContact O-CB 3.27Å; V364-S368 WeakPolarHBondContact O-CB 3.49Å; V364-S368 PolarHBondContact O-N 3.24Å; V364-S368 PolarHBondContact O-OG 3.19Å; V366-S368 PolarHBondContact O-N 3.47Å; S368-I370 VanDerWaalsContact C-N 3.31Å; S368-I370 PolarHBondContact O-N 3.49Å; S368-A371 PolarHBondContact O-N 3.33Å; S368-I372 WeakPolarHBondContact O-CD1 3.4Å; S368-I372 WeakPolarHBondContact O-CG1 3.43Å; S368-I372 PolarHBondContact O-N 3.04Å; S368-T386 WeakPolarHBondContact OG-CG2 3.4Å |
| 369 | S | 92.3 | Very high | 84.8 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 175.1 | -91.2 | 0 | 0 | 0 | 0 | 113.2 | S319 V365 V366 L367 S373 | S319-S369 VanDerWaalsContact O-CB 3.24Å; S319-S369 WeakPolarHBondContact O-CB 3.36Å; S319-S369 PolarHBondContact O-OG 2.93Å; S319-S369 PolarHBondContact OG-OG 3.32Å; V365-S369 WeakPolarHBondContact O-CB 3.46Å; V365-S369 PolarHBondContact O-N 3.26Å; V366-S369 WeakPolarHBondContact O-CB 3.45Å; V366-S369 PolarHBondContact O-N 3.4Å; L367-S369 VanDerWaalsContact C-N 3.34Å; L367-S369 PolarHBondContact O-N 3.32Å; S369-S373 VanDerWaalsContact O-CB 3.29Å; S369-S373 WeakPolarHBondContact O-CB 3.49Å; S369-S373 PolarHBondContact O-N 3.47Å; S369-S373 VanDerWaalsContact O-N 3.13Å; S369-S373 PolarHBondContact O-OG 3.02Å |
| 370 | I | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -50.5 | 177.3 | -65.5 | 163.4 | 0 | 0 | 0 | 109.8 | I324 F328 L344 V345 V366 L367 S368 I372 S373 C374 L382 | I324-I370 HydrophobicContact CD1-CG1 4.01Å; F328-I370 HydrophobicContact CE2-CB 4.47Å; F328-I370 HydrophobicContact CE2-CG1 4.15Å; F328-I370 HydrophobicContact CE2-CG2 3.89Å; F328-I370 HydrophobicContact CZ-CB 4.49Å; F328-I370 HydrophobicContact CZ-CG1 4.18Å; F328-I370 HydrophobicContact CZ-CG2 3.6Å; L344-I370 HydrophobicContact CD2-CD1 4.2Å; L344-I370 HydrophobicContact CG-CD1 4.03Å; V345-I370 HydrophobicContact CG2-CD1 4.23Å; V345-I370 HydrophobicContact CG2-CG2 4.26Å; V366-I370 HydrophobicContact CG1-CD1 3.78Å; V366-I370 HydrophobicContact CG1-CG1 4.44Å; V366-I370 VanDerWaalsContact O-CG1 3.24Å; V366-I370 WeakPolarHBondContact O-CG1 3.08Å; V366-I370 PolarHBondContact O-N 3.26Å; L367-I370 WeakPolarHBondContact O-CB 3.35Å; L367-I370 PolarHBondContact O-N 3.48Å; L367-I370 VanDerWaalsContact O-N 3.1Å; S368-I370 VanDerWaalsContact C-N 3.31Å; S368-I370 PolarHBondContact O-N 3.49Å; I370-I372 PolarHBondContact O-N 3.45Å; I370-S373 PolarHBondContact O-N 2.93Å; I370-C374 WeakPolarHBondContact CG2-SG 3.31Å; I370-C374 WeakPolarHBondContact O-CB 3.44Å; I370-C374 PolarHBondContact O-N 3.35Å; I370-C374 PolarHBondContact O-SG 2.88Å; I370-L382 HydrophobicContact CB-CD2 4.43Å; I370-L382 HydrophobicContact CG2-CD2 3.6Å |
| 371 | A | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L367 S368 E383 L419 R423 | L367-A371 PolarHBondContact O-N 2.87Å; S368-A371 PolarHBondContact O-N 3.33Å; A371-E383 HydrophobicContact CB-CG 4.39Å; A371-L419 HydrophobicContact CB-CD1 4Å; A371-R423 PolarHBondContact O-NE 3.02Å; A371-R423 PolarHBondContact O-NH2 2.87Å; A371-R423 VanDerWaalsContact O-NH2 3.13Å |
| 372 | I | 89.3 | Confident | 82.9 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 174.3 | -65.7 | 163.5 | 0 | 0 | 0 | 112 | S368 I370 K418 L419 N422 | S368-I372 WeakPolarHBondContact O-CD1 3.4Å; S368-I372 WeakPolarHBondContact O-CG1 3.43Å; S368-I372 PolarHBondContact O-N 3.04Å; I370-I372 PolarHBondContact O-N 3.45Å; I372-K418 HydrophobicContact CD1-CB 4.47Å; I372-K418 HydrophobicContact CD1-CD 4.1Å; I372-K418 HydrophobicContact CD1-CG 3.88Å; I372-L419 HydrophobicContact CG1-CD1 3.98Å; I372-N422 HydrophobicContact CG1-CB 4.23Å; I372-N422 HydrophobicContact CG2-CB 4.03Å |
| 373 | S | 85.1 | Confident | 82.6 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -99.2 | -16.7 | -167.8 | -53.3 | 0 | 0 | 0 | 0 | 115 | I324 S369 I370 | I324-S373 WeakPolarHBondContact CG2-OG 3.15Å; S369-S373 VanDerWaalsContact O-CB 3.29Å; S369-S373 WeakPolarHBondContact O-CB 3.49Å; S369-S373 PolarHBondContact O-N 3.47Å; S369-S373 VanDerWaalsContact O-N 3.13Å; S369-S373 PolarHBondContact O-OG 3.02Å; I370-S373 PolarHBondContact O-N 2.93Å |
| 374 | C | 74.7 | Confident | 82.2 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 14% | 0.135 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.4 | 147.4 | -178.4 | -81.2 | 0 | 0 | 0 | 0 | 113 | I370 I379 | I370-C374 WeakPolarHBondContact CG2-SG 3.31Å; I370-C374 WeakPolarHBondContact O-CB 3.44Å; I370-C374 PolarHBondContact O-N 3.35Å; I370-C374 PolarHBondContact O-SG 2.88Å; C374-I379 HydrophobicContact CB-CD1 4.06Å; C374-I379 HydrophobicContact CB-CG1 4.26Å; C374-I379 WeakPolarHBondContact O-CD1 3.39Å |
| 375 | P | 64.9 | Low | 81.8 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | trans | -80.1 | 147.7 | 170.4 | 30.2 | -31.4 | 0 | 0 | 0 | 112.8 | K377 | P375-K377 VanDerWaalsContact C-N 3.33Å; P375-K377 PolarHBondContact O-N 3.3Å | ||
| 376 | E | 58.6 | Low | 81.6 | Confident | 157 Ų | 157 | 53.7 Ų | 53.7 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -59.7 | -12.2 | -151.6 | -67.1 | -178.4 | 159.2 | 0 | 0 | 119.8 | D378 I379 | E376-D378 PolarHBondContact O-N 3.45Å; E376-I379 VanDerWaalsContact CA-CD1 3.45Å; E376-I379 HydrophobicContact CG-CD1 4.48Å |
| 377 | K | 57.2 | Low | 81.5 | Confident | 198 Ų | 198 | 54.5 Ų | 54.5 | 86% | 0.861 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -72.6 | -16.8 | -162.1 | -71.2 | -172.6 | 176.2 | -177.8 | 0 | 116.4 | P375 | P375-K377 VanDerWaalsContact C-N 3.33Å; P375-K377 PolarHBondContact O-N 3.3Å |
| 378 | D | 58.4 | Low | 81.6 | Confident | 151 Ų | 151 | 58.7 Ų | 58.7 | 81% | 0.807 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -138.4 | 27.8 | 179 | -67.5 | -52.6 | 0 | 0 | 0 | 113.5 | E376 | E376-D378 PolarHBondContact O-N 3.45Š|
| 379 | I | 70.3 | Confident | 81.5 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -83.9 | -31 | -165.3 | -66.5 | -169.4 | 0 | 0 | 0 | 114.6 | C374 E376 Q381 L382 E383 R423 | C374-I379 HydrophobicContact CB-CD1 4.06Å; C374-I379 HydrophobicContact CB-CG1 4.26Å; C374-I379 WeakPolarHBondContact O-CD1 3.39Å; E376-I379 VanDerWaalsContact CA-CD1 3.45Å; E376-I379 HydrophobicContact CG-CD1 4.48Å; I379-Q381 PolarHBondContact O-N 2.8Å; I379-L382 PolarHBondContact O-N 3.4Å; I379-L382 VanDerWaalsContact O-N 3.09Å; I379-E383 HydrophobicContact CG2-CG 3.51Å; I379-E383 VanDerWaalsContact CG2-OE1 3.24Å; I379-E383 WeakPolarHBondContact CG2-OE1 3.36Å; I379-E383 PolarHBondContact O-N 2.83Å; I379-R423 VanDerWaalsContact CD1-NH2 3.3Å |
| 380 | V | 78.3 | Confident | 81.6 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 58% | 0.582 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | -166.6 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | L382 E383 Q384 | V380-L382 VanDerWaalsContact C-N 3.34Å; V380-L382 PolarHBondContact O-N 3.27Å; V380-E383 PolarHBondContact O-N 3.47Å; V380-Q384 WeakPolarHBondContact O-CG 3.1Å; V380-Q384 PolarHBondContact O-N 3.25Å; V380-Q384 VanDerWaalsContact O-N 3.11Å |
| 381 | Q | 82.4 | Confident | 81.8 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 178.3 | -174.3 | 175.5 | 1.2 | 0 | 0 | 111.4 | I379 Q384 D385 | I379-Q381 PolarHBondContact O-N 2.8Å; Q381-Q384 PolarHBondContact O-N 3.49Å; Q381-D385 WeakPolarHBondContact O-CB 3.17Å; Q381-D385 PolarHBondContact O-N 2.91Å |
| 382 | L | 85.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 178.5 | -175.5 | 66.3 | 0 | 0 | 0 | 112.1 | V345 L367 I370 I379 V380 T386 | V345-L382 HydrophobicContact CG1-CD1 3.84Å; L367-L382 HydrophobicContact CD2-CD1 4Å; I370-L382 HydrophobicContact CB-CD2 4.43Å; I370-L382 HydrophobicContact CG2-CD2 3.6Å; I379-L382 PolarHBondContact O-N 3.4Å; I379-L382 VanDerWaalsContact O-N 3.09Å; V380-L382 VanDerWaalsContact C-N 3.34Å; V380-L382 PolarHBondContact O-N 3.27Å; L382-T386 VanDerWaalsContact O-CB 3.31Å; L382-T386 WeakPolarHBondContact O-CB 3.24Å; L382-T386 PolarHBondContact O-N 3.14Å; L382-T386 PolarHBondContact O-OG1 2.9Å |
| 383 | E | 89.2 | Confident | 82.3 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 173.5 | -79.1 | 177.8 | 166.1 | 0 | 0 | 111.3 | A371 I379 V380 T386 V387 R423 H425 L426 | A371-E383 HydrophobicContact CB-CG 4.39Å; I379-E383 HydrophobicContact CG2-CG 3.51Å; I379-E383 VanDerWaalsContact CG2-OE1 3.24Å; I379-E383 WeakPolarHBondContact CG2-OE1 3.36Å; I379-E383 PolarHBondContact O-N 2.83Å; V380-E383 PolarHBondContact O-N 3.47Å; E383-T386 WeakPolarHBondContact O-CB 3.45Å; E383-T386 PolarHBondContact O-N 3.37Å; E383-V387 WeakPolarHBondContact O-CG2 3.38Å; E383-V387 PolarHBondContact O-N 2.79Å; E383-R423 WeakPolarHBondContact OE1-CD 3.46Å; E383-R423 WeakPolarHBondContact OE1-CG 3.37Å; E383-R423 IonicContact OE1-CZ 3.22Å; E383-R423 IonicContact OE1-NE 2.79Å; E383-R423 PolarHBondContact OE1-NE 3.47Å; E383-H425 IonicContact OE1-CE1 3.47Å; E383-H425 PolarHBondContact OE1-CE1 3.15Å; E383-H425 IonicContact OE1-NE2 3.76Å; E383-H425 IonicContact OE2-CE1 3.34Å; E383-H425 PolarHBondContact OE2-CE1 2.93Å; E383-H425 IonicContact OE2-NE2 2.78Å; E383-H425 PolarHBondContact OE2-NE2 3.32Å; E383-L426 HydrophobicContact CB-CD1 3.98Å; E383-L426 HydrophobicContact CB-CD2 4.36Å; E383-L426 HydrophobicContact CG-CD1 4.04Å |
| 384 | Q | 87.8 | Confident | 82.7 | Confident | 112 Ų | 112 | 59 Ų | 59 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 176.8 | -71.2 | 175.7 | -6.2 | 0 | 0 | 111.5 | V380 Q381 T386 V387 L388 | V380-Q384 WeakPolarHBondContact O-CG 3.1Å; V380-Q384 PolarHBondContact O-N 3.25Å; V380-Q384 VanDerWaalsContact O-N 3.11Å; Q381-Q384 PolarHBondContact O-N 3.49Å; Q384-T386 PolarHBondContact O-N 2.99Å; Q384-V387 PolarHBondContact O-N 3.48Å; Q384-L388 WeakPolarHBondContact O-CG 3.35Å; Q384-L388 PolarHBondContact O-N 3.03Å |
| 385 | D | 88 | Confident | 83.5 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -37.4 | 176.1 | -75.1 | -7.6 | 0 | 0 | 0 | 112 | Q349 Q381 G389 | Q349-D385 PolarHBondContact NE2-OD2 3.25Å; Q381-D385 WeakPolarHBondContact O-CB 3.17Å; Q381-D385 PolarHBondContact O-N 2.91Å; D385-G389 PolarHBondContact O-N 2.81Å |
| 386 | T | 91.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 178.8 | -59.6 | 0 | 0 | 0 | 0 | 111 | L367 S368 L382 E383 Q384 G389 V390 L419 | L367-T386 HydrophobicContact CB-CG2 4.15Å; S368-T386 WeakPolarHBondContact OG-CG2 3.4Å; L382-T386 VanDerWaalsContact O-CB 3.31Å; L382-T386 WeakPolarHBondContact O-CB 3.24Å; L382-T386 PolarHBondContact O-N 3.14Å; L382-T386 PolarHBondContact O-OG1 2.9Å; E383-T386 WeakPolarHBondContact O-CB 3.45Å; E383-T386 PolarHBondContact O-N 3.37Å; Q384-T386 PolarHBondContact O-N 2.99Å; T386-G389 PolarHBondContact O-N 3.03Å; T386-V390 VanDerWaalsContact O-CG2 3.3Å; T386-V390 WeakPolarHBondContact O-CG2 3.45Å; T386-V390 PolarHBondContact O-N 3.39Å; T386-L419 HydrophobicContact CG2-CD2 3.86Å |
| 387 | V | 92.8 | Very high | 86.4 | Confident | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | E383 Q384 G389 V390 E391 L419 L426 | E383-V387 WeakPolarHBondContact O-CG2 3.38Å; E383-V387 PolarHBondContact O-N 2.79Å; Q384-V387 PolarHBondContact O-N 3.48Å; V387-G389 VanDerWaalsContact C-N 3.31Å; V387-G389 PolarHBondContact O-N 2.86Å; V387-V390 WeakPolarHBondContact O-CB 3.42Å; V387-V390 PolarHBondContact O-N 3.37Å; V387-V390 VanDerWaalsContact O-N 3.11Å; V387-E391 HydrophobicContact CG1-CG 4.25Å; V387-E391 WeakPolarHBondContact CG1-OE1 3.49Å; V387-E391 VanDerWaalsContact O-CG 3.32Å; V387-E391 WeakPolarHBondContact O-CG 3.49Å; V387-E391 PolarHBondContact O-N 3.44Å; V387-L419 HydrophobicContact CG2-CD2 4.16Å; V387-L426 HydrophobicContact CG2-CD1 4.2Å |
| 388 | L | 93.1 | Very high | 88 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -40 | 176.8 | -70 | 172 | 0 | 0 | 0 | 112.6 | Q384 E391 S392 | Q384-L388 WeakPolarHBondContact O-CG 3.35Å; Q384-L388 PolarHBondContact O-N 3.03Å; L388-E391 PolarHBondContact O-N 3.15Å; L388-S392 WeakPolarHBondContact O-CB 3.45Å; L388-S392 PolarHBondContact O-N 2.77Å |
| 389 | G | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y353 D385 T386 V387 L393 | Y353-G389 PolarHBondContact OH-N 3.45Å; D385-G389 PolarHBondContact O-N 2.81Å; T386-G389 PolarHBondContact O-N 3.03Å; V387-G389 VanDerWaalsContact C-N 3.31Å; V387-G389 PolarHBondContact O-N 2.86Å; G389-L393 PolarHBondContact O-N 3.46Å |
| 390 | V | 94.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -52.2 | 172.6 | 173.6 | 0 | 0 | 0 | 0 | 110 | V364 T386 V387 S392 L393 L394 L416 | V364-V390 HydrophobicContact CG1-CB 4.35Å; V364-V390 HydrophobicContact CG1-CG2 3.37Å; T386-V390 VanDerWaalsContact O-CG2 3.3Å; T386-V390 WeakPolarHBondContact O-CG2 3.45Å; T386-V390 PolarHBondContact O-N 3.39Å; V387-V390 WeakPolarHBondContact O-CB 3.42Å; V387-V390 PolarHBondContact O-N 3.37Å; V387-V390 VanDerWaalsContact O-N 3.11Å; V390-S392 VanDerWaalsContact C-N 3.34Å; V390-S392 PolarHBondContact O-N 3.04Å; V390-L393 WeakPolarHBondContact O-CB 3.44Å; V390-L393 PolarHBondContact O-N 2.93Å; V390-L394 HydrophobicContact CG1-CD1 3.84Å; V390-L394 HydrophobicContact CG1-CG 4.07Å; V390-L394 VanDerWaalsContact O-CG 3.32Å; V390-L394 WeakPolarHBondContact O-CG 3.43Å; V390-L394 PolarHBondContact O-N 3.14Å; V390-L416 HydrophobicContact CG1-CB 4.02Å; V390-L416 HydrophobicContact CG1-CD1 4.23Å; V390-L416 HydrophobicContact CG1-CD2 4.14Å; V390-L416 HydrophobicContact CG1-CG 4.35Å |
| 391 | E | 93.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | -178.6 | -71.8 | 177.3 | 172.4 | 0 | 0 | 111.5 | V387 L388 L393 L394 M395 F433 | V387-E391 HydrophobicContact CG1-CG 4.25Å; V387-E391 WeakPolarHBondContact CG1-OE1 3.49Å; V387-E391 VanDerWaalsContact O-CG 3.32Å; V387-E391 WeakPolarHBondContact O-CG 3.49Å; V387-E391 PolarHBondContact O-N 3.44Å; L388-E391 PolarHBondContact O-N 3.15Å; E391-L393 VanDerWaalsContact C-N 3.28Å; E391-L393 PolarHBondContact O-N 3.08Å; E391-L394 WeakPolarHBondContact O-CB 3.42Å; E391-L394 PolarHBondContact O-N 3.38Å; E391-L394 VanDerWaalsContact O-N 3.16Å; E391-M395 WeakPolarHBondContact O-CG 3.39Å; E391-M395 PolarHBondContact O-N 3.42Å; E391-F433 HydrophobicContact CB-CD1 4.39Å; E391-F433 HydrophobicContact CB-CD2 4.22Å; E391-F433 HydrophobicContact CB-CE1 3.95Å; E391-F433 HydrophobicContact CB-CE2 3.76Å; E391-F433 HydrophobicContact CB-CZ 3.61Å; E391-F433 HydrophobicContact CG-CD1 3.74Å; E391-F433 HydrophobicContact CG-CD2 3.85Å; E391-F433 HydrophobicContact CG-CE1 3.81Å; E391-F433 HydrophobicContact CG-CE2 3.91Å; E391-F433 HydrophobicContact CG-CG 3.77Å; E391-F433 HydrophobicContact CG-CZ 3.88Å |
| 392 | S | 93.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56 | -42.5 | 175 | -178.2 | 0 | 0 | 0 | 0 | 112 | L388 V390 L396 | L388-S392 WeakPolarHBondContact O-CB 3.45Å; L388-S392 PolarHBondContact O-N 2.77Å; V390-S392 VanDerWaalsContact C-N 3.34Å; V390-S392 PolarHBondContact O-N 3.04Å; S392-L396 VanDerWaalsContact O-CG 3.3Å; S392-L396 WeakPolarHBondContact O-CG 3.39Å; S392-L396 PolarHBondContact O-N 2.96Å |
| 393 | L | 93.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 179.1 | -174 | 59 | 0 | 0 | 0 | 112 | L357 A360 A361 V364 G389 V390 E391 L396 C397 T408 A412 | L357-L393 HydrophobicContact CB-CD1 4.29Å; L357-L393 HydrophobicContact CD2-CD1 4.1Å; A360-L393 HydrophobicContact CB-CD1 3.87Å; A361-L393 VanDerWaalsContact CA-CD2 3.47Å; A361-L393 HydrophobicContact CB-CD2 3.89Å; V364-L393 HydrophobicContact CB-CD2 4.47Å; V364-L393 HydrophobicContact CG2-CD2 4.14Å; G389-L393 PolarHBondContact O-N 3.46Å; V390-L393 WeakPolarHBondContact O-CB 3.44Å; V390-L393 PolarHBondContact O-N 2.93Å; E391-L393 VanDerWaalsContact C-N 3.28Å; E391-L393 PolarHBondContact O-N 3.08Å; L393-L396 PolarHBondContact O-N 3.46Å; L393-C397 PolarHBondContact O-N 3.22Å; L393-C397 VanDerWaalsContact O-N 3.09Å; L393-C397 PolarHBondContact O-SG 3.05Å; L393-T408 HydrophobicContact CD1-CG2 3.75Å; L393-T408 HydrophobicContact CD2-CG2 4.16Å; L393-T408 HydrophobicContact CG-CG2 4.18Å; L393-A412 HydrophobicContact CD2-CB 3.72Å; L393-A412 HydrophobicContact CG-CB 4.18Å |
| 394 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 174.7 | -65.9 | 178.8 | 0 | 0 | 0 | 110.7 | V390 E391 L396 C397 S398 L409 A412 L413 L416 F433 L434 | V390-L394 HydrophobicContact CG1-CD1 3.84Å; V390-L394 HydrophobicContact CG1-CG 4.07Å; V390-L394 VanDerWaalsContact O-CG 3.32Å; V390-L394 WeakPolarHBondContact O-CG 3.43Å; V390-L394 PolarHBondContact O-N 3.14Å; E391-L394 WeakPolarHBondContact O-CB 3.42Å; E391-L394 PolarHBondContact O-N 3.38Å; E391-L394 VanDerWaalsContact O-N 3.16Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 3.28Å; L394-C397 PolarHBondContact O-N 3.34Å; L394-S398 WeakPolarHBondContact O-CB 3.4Å; L394-S398 PolarHBondContact O-N 3.48Å; L394-S398 PolarHBondContact O-OG 3.28Å; L394-L409 HydrophobicContact CD2-CD1 3.29Å; L394-A412 HydrophobicContact CD2-CB 3.95Å; L394-L413 HydrophobicContact CD1-CD2 4.16Å; L394-L413 HydrophobicContact CD2-CD2 3.6Å; L394-L413 HydrophobicContact CD2-CG 3.73Å; L394-L416 HydrophobicContact CD1-CD2 4.34Å; L394-F433 HydrophobicContact CB-CE1 3.94Å; L394-F433 HydrophobicContact CB-CZ 4.39Å; L394-F433 HydrophobicContact CD1-CD1 4.27Å; L394-F433 HydrophobicContact CD1-CE1 3.74Å; L394-F433 HydrophobicContact CG-CE1 4.46Å; L394-L434 HydrophobicContact CD1-CD2 3.77Å |
| 395 | M | 92.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.4 | -47.6 | 176.3 | -69.8 | -62.6 | -54.2 | 0 | 0 | 111.7 | E391 C397 S398 F433 Q437 | E391-M395 WeakPolarHBondContact O-CG 3.39Å; E391-M395 PolarHBondContact O-N 3.42Å; M395-C397 PolarHBondContact O-N 2.77Å; M395-S398 PolarHBondContact O-N 3.45Å; M395-F433 HydrophobicContact CG-CE2 4.3Å; M395-F433 HydrophobicContact CG-CZ 3.94Å; M395-F433 HydrophobicContact SD-CE2 3.94Å; M395-F433 HydrophobicContact SD-CZ 3.83Å; M395-Q437 HydrophobicContact SD-CG 4.19Å; M395-Q437 PolarHBondContact SD-NE2 3.49Å; M395-Q437 PolarHBondContact SD-OE1 3.04Å |
| 396 | L | 92.3 | Very high | 92.1 | Very high | 104 Ų | 104 | 43 Ų | 43 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.2 | -30.9 | -176.4 | -66.9 | 171.7 | 0 | 0 | 0 | 113 | L357 S392 L393 L394 | L357-L396 HydrophobicContact CD2-CB 3.77Å; L357-L396 HydrophobicContact CD2-CD1 3.71Å; L357-L396 HydrophobicContact CD2-CG 4.36Å; S392-L396 VanDerWaalsContact O-CG 3.3Å; S392-L396 WeakPolarHBondContact O-CG 3.39Å; S392-L396 PolarHBondContact O-N 2.96Å; L393-L396 PolarHBondContact O-N 3.46Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 3.28Å |
| 397 | C | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -91.1 | -11.9 | 179.6 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | L393 L394 M395 Q399 D400 L409 S445 | L393-C397 PolarHBondContact O-N 3.22Å; L393-C397 VanDerWaalsContact O-N 3.09Å; L393-C397 PolarHBondContact O-SG 3.05Å; L394-C397 PolarHBondContact O-N 3.34Å; M395-C397 PolarHBondContact O-N 2.77Å; C397-Q399 PolarHBondContact O-N 3Å; C397-Q399 VanDerWaalsContact O-N 3.16Å; C397-D400 PolarHBondContact O-N 3.09Å; C397-D400 VanDerWaalsContact O-N 3.12Å; C397-L409 HydrophobicContact CB-CB 3.9Å; C397-L409 HydrophobicContact CB-CD1 4.29Å; C397-S445 PolarHBondContact O-OG 2.77Å |
| 398 | S | 89.2 | Confident | 92.3 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.3 | -169.8 | -73.2 | 0 | 0 | 0 | 0 | 114 | L394 M395 S441 C442 S445 M449 | L394-S398 WeakPolarHBondContact O-CB 3.4Å; L394-S398 PolarHBondContact O-N 3.48Å; L394-S398 PolarHBondContact O-OG 3.28Å; M395-S398 PolarHBondContact O-N 3.45Å; S398-S441 WeakPolarHBondContact CB-OG 3.37Å; S398-S441 WeakPolarHBondContact O-CA 3.43Å; S398-S441 PolarHBondContact OG-OG 3.5Å; S398-C442 PolarHBondContact O-N 3.34Å; S398-C442 PolarHBondContact O-SG 3.29Å; S398-C442 VanDerWaalsContact O-SG 3.36Å; S398-S445 WeakPolarHBondContact O-CB 3.25Å; S398-S445 PolarHBondContact O-OG 3.32Å; S398-M449 WeakPolarHBondContact OG-CE 3.36Å |
| 399 | Q | 90.6 | Very high | 92.4 | Very high | 128 Ų | 128 | 40.9 Ų | 40.9 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104 | -2.8 | -179.6 | -72 | -69.4 | -15.3 | 0 | 0 | 113.9 | C397 S401 L440 | C397-Q399 PolarHBondContact O-N 3Å; C397-Q399 VanDerWaalsContact O-N 3.16Å; Q399-S401 PolarHBondContact O-N 2.62Å; Q399-L440 PolarHBondContact NE2-O 3.5Å |
| 400 | D | 90.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 47 Ų | 47 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | trans | -90.1 | 103.8 | -175.5 | -176.5 | 7.8 | 0 | 0 | 0 | 111.5 | C397 S402 G405 Q406 | C397-D400 PolarHBondContact O-N 3.09Å; C397-D400 VanDerWaalsContact O-N 3.12Å; D400-S402 PolarHBondContact O-N 3.1Å; D400-S402 WeakPolarHBondContact OD1-CB 3.47Å; D400-S402 PolarHBondContact OD1-N 3.09Å; D400-S402 PolarHBondContact OD1-OG 3.28Å; D400-S402 PolarHBondContact OD2-OG 2.89Å; D400-G405 VanDerWaalsContact OD2-CA 3.22Å; D400-G405 WeakPolarHBondContact OD2-CA 3.36Å; D400-Q406 PolarHBondContact O-NE2 3.08Å | ||
| 401 | S | 87.8 | Confident | 92.6 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | trans | -79.5 | 0.7 | 175.7 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | Q399 | Q399-S401 PolarHBondContact O-N 2.62Š| ||
| 402 | S | 92.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -65.4 | 146.8 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 111.7 | D400 S404 G405 Q406 | D400-S402 PolarHBondContact O-N 3.1Å; D400-S402 WeakPolarHBondContact OD1-CB 3.47Å; D400-S402 PolarHBondContact OD1-N 3.09Å; D400-S402 PolarHBondContact OD1-OG 3.28Å; D400-S402 PolarHBondContact OD2-OG 2.89Å; S402-S404 PolarHBondContact O-N 2.85Å; S402-S404 VanDerWaalsContact O-N 3.14Å; S402-S404 PolarHBondContact OG-OG 3.17Å; S402-G405 PolarHBondContact O-N 3.08Å; S402-G405 PolarHBondContact OG-N 3.35Å; S402-Q406 WeakPolarHBondContact O-CG 3.29Å; S402-Q406 PolarHBondContact O-N 2.88Å |
| 403 | P | 91.4 | Very high | 92.8 | Very high | 115 Ų | 115 | 45.8 Ų | 45.8 | 75% | 0.747 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.8 | -33.5 | 176.8 | -26.9 | 34.6 | 0 | 0 | 0 | 113.5 | A407 | P403-A407 VanDerWaalsContact O-CB 3.28Å; P403-A407 WeakPolarHBondContact O-CB 3.5Å; P403-A407 PolarHBondContact O-N 3.27Å |
| 404 | S | 90.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 175.3 | 40.9 | 0 | 0 | 0 | 0 | 113 | S402 A407 T408 | S402-S404 PolarHBondContact O-N 2.85Å; S402-S404 VanDerWaalsContact O-N 3.14Å; S402-S404 PolarHBondContact OG-OG 3.17Å; S404-A407 PolarHBondContact O-N 3.12Å; S404-T408 WeakPolarHBondContact O-CB 3.47Å; S404-T408 PolarHBondContact O-N 3.33Å; S404-T408 PolarHBondContact O-OG1 3.3Å |
| 405 | G | 91.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D400 S402 A407 T408 L409 | D400-G405 VanDerWaalsContact OD2-CA 3.22Å; D400-G405 WeakPolarHBondContact OD2-CA 3.36Å; S402-G405 PolarHBondContact O-N 3.08Å; S402-G405 PolarHBondContact OG-N 3.35Å; G405-A407 PolarHBondContact O-N 2.81Å; G405-T408 WeakPolarHBondContact O-CB 3.39Å; G405-T408 PolarHBondContact O-N 3Å; G405-T408 VanDerWaalsContact O-N 3.16Å; G405-L409 WeakPolarHBondContact O-CB 3.29Å; G405-L409 PolarHBondContact O-N 3.2Å |
| 406 | Q | 93.4 | Very high | 93 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 177.7 | -65.6 | -61.5 | -46.5 | 0 | 0 | 112.8 | D400 S402 T408 L409 K410 S444 S445 L448 | D400-Q406 PolarHBondContact O-NE2 3.08Å; S402-Q406 WeakPolarHBondContact O-CG 3.29Å; S402-Q406 PolarHBondContact O-N 2.88Å; Q406-T408 VanDerWaalsContact C-N 3.34Å; Q406-L409 PolarHBondContact O-N 3.4Å; Q406-K410 VanDerWaalsContact O-CB 3.32Å; Q406-K410 WeakPolarHBondContact O-CB 3.44Å; Q406-K410 PolarHBondContact O-N 3.05Å; Q406-S444 PolarHBondContact NE2-OG 3.41Å; Q406-S444 PolarHBondContact OE1-O 3.37Å; Q406-S445 PolarHBondContact NE2-OG 3.29Å; Q406-L448 VanDerWaalsContact OE1-CD1 3.23Å |
| 407 | A | 93.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | P403 S404 G405 T411 | P403-A407 VanDerWaalsContact O-CB 3.28Å; P403-A407 WeakPolarHBondContact O-CB 3.5Å; P403-A407 PolarHBondContact O-N 3.27Å; S404-A407 PolarHBondContact O-N 3.12Å; G405-A407 PolarHBondContact O-N 2.81Å; A407-T411 PolarHBondContact O-N 3.08Å; A407-T411 VanDerWaalsContact O-N 3.08Å; A407-T411 PolarHBondContact O-OG1 3.2Å |
| 408 | T | 94.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.4 | -48.8 | 176.1 | -57 | 0 | 0 | 0 | 0 | 110.4 | L357 A361 L393 S404 G405 Q406 K410 T411 A412 | L357-T408 HydrophobicContact CB-CG2 3.94Å; L357-T408 WeakPolarHBondContact O-CG2 3.36Å; A361-T408 HydrophobicContact CB-CG2 3.71Å; L393-T408 HydrophobicContact CD1-CG2 3.75Å; L393-T408 HydrophobicContact CD2-CG2 4.16Å; L393-T408 HydrophobicContact CG-CG2 4.18Å; S404-T408 WeakPolarHBondContact O-CB 3.47Å; S404-T408 PolarHBondContact O-N 3.33Å; S404-T408 PolarHBondContact O-OG1 3.3Å; G405-T408 WeakPolarHBondContact O-CB 3.39Å; G405-T408 PolarHBondContact O-N 3Å; G405-T408 VanDerWaalsContact O-N 3.16Å; Q406-T408 VanDerWaalsContact C-N 3.34Å; T408-K410 PolarHBondContact O-N 2.94Å; T408-T411 WeakPolarHBondContact O-CB 3.43Å; T408-T411 PolarHBondContact O-N 3.15Å; T408-T411 VanDerWaalsContact O-N 3.08Å; T408-A412 PolarHBondContact O-N 3.04Å |
| 409 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 175.6 | 179.4 | 54.3 | 0 | 0 | 0 | 111.6 | L394 C397 G405 Q406 T411 A412 L413 S445 L448 M449 | L394-L409 HydrophobicContact CD2-CD1 3.29Å; C397-L409 HydrophobicContact CB-CB 3.9Å; C397-L409 HydrophobicContact CB-CD1 4.29Å; G405-L409 WeakPolarHBondContact O-CB 3.29Å; G405-L409 PolarHBondContact O-N 3.2Å; Q406-L409 PolarHBondContact O-N 3.4Å; L409-T411 VanDerWaalsContact C-N 3.28Å; L409-T411 PolarHBondContact O-N 2.96Å; L409-A412 PolarHBondContact O-N 3.46Å; L409-L413 HydrophobicContact CD1-CD1 3.83Å; L409-L413 HydrophobicContact CD1-CG 4.02Å; L409-L413 HydrophobicContact CG-CD1 3.89Å; L409-L413 HydrophobicContact CG-CG 4.49Å; L409-L413 WeakPolarHBondContact O-CB 3.4Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 3.39Å; L409-S445 VanDerWaalsContact CD2-CB 3.49Å; L409-S445 WeakPolarHBondContact CD2-OG 3.48Å; L409-L448 HydrophobicContact CB-CD1 4.28Å; L409-L448 HydrophobicContact CD2-CB 4.43Å; L409-L448 HydrophobicContact CD2-CD1 3.99Å; L409-L448 HydrophobicContact CG-CD1 4.02Å; L409-M449 HydrophobicContact CD1-CE 4.46Å |
| 410 | K | 95.6 | Very high | 93.4 | Very high | 128 Ų | 128 | 41.4 Ų | 41.4 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.7 | -40.1 | 176.2 | -175.6 | 175 | -179.9 | 177 | 0 | 112.1 | Q406 T408 T414 L448 | Q406-K410 VanDerWaalsContact O-CB 3.32Å; Q406-K410 WeakPolarHBondContact O-CB 3.44Å; Q406-K410 PolarHBondContact O-N 3.05Å; T408-K410 PolarHBondContact O-N 2.94Å; K410-T414 VanDerWaalsContact O-CB 3.29Å; K410-T414 WeakPolarHBondContact O-CB 3.36Å; K410-T414 PolarHBondContact O-N 3.48Å; K410-T414 PolarHBondContact O-OG1 2.65Å; K410-L448 HydrophobicContact CB-CD1 4.19Å |
| 411 | T | 94.5 | Very high | 93.4 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | A361 V365 A407 T408 L409 S415 | A361-T411 HydrophobicContact CB-CG2 4.26Å; V365-T411 HydrophobicContact CG2-CG2 3.45Å; V365-T411 VanDerWaalsContact CG2-CG2 3.45Å; A407-T411 PolarHBondContact O-N 3.08Å; A407-T411 VanDerWaalsContact O-N 3.08Å; A407-T411 PolarHBondContact O-OG1 3.2Å; T408-T411 WeakPolarHBondContact O-CB 3.43Å; T408-T411 PolarHBondContact O-N 3.15Å; T408-T411 VanDerWaalsContact O-N 3.08Å; L409-T411 VanDerWaalsContact C-N 3.28Å; L409-T411 PolarHBondContact O-N 2.96Å; T411-S415 WeakPolarHBondContact O-CB 3.36Å; T411-S415 PolarHBondContact O-N 2.69Å; T411-S415 PolarHBondContact O-OG 2.89Å |
| 412 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -51.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L393 L394 T408 L409 T414 S415 L416 | L393-A412 HydrophobicContact CD2-CB 3.72Å; L393-A412 HydrophobicContact CG-CB 4.18Å; L394-A412 HydrophobicContact CD2-CB 3.95Å; T408-A412 PolarHBondContact O-N 3.04Å; L409-A412 PolarHBondContact O-N 3.46Å; A412-T414 PolarHBondContact O-N 3.09Å; A412-S415 WeakPolarHBondContact O-CB 3.33Å; A412-S415 PolarHBondContact O-N 2.87Å; A412-S415 VanDerWaalsContact O-N 3.13Å; A412-L416 PolarHBondContact O-N 3.27Å |
| 413 | L | 96.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 178.7 | -70.5 | 171 | 0 | 0 | 0 | 112.3 | L394 L409 S415 L416 V417 L434 L448 M449 A452 | L394-L413 HydrophobicContact CD1-CD2 4.16Å; L394-L413 HydrophobicContact CD2-CD2 3.6Å; L394-L413 HydrophobicContact CD2-CG 3.73Å; L409-L413 HydrophobicContact CD1-CD1 3.83Å; L409-L413 HydrophobicContact CD1-CG 4.02Å; L409-L413 HydrophobicContact CG-CD1 3.89Å; L409-L413 HydrophobicContact CG-CG 4.49Å; L409-L413 WeakPolarHBondContact O-CB 3.4Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 3.39Å; L413-S415 VanDerWaalsContact C-N 3.28Å; L413-S415 PolarHBondContact O-N 2.93Å; L413-L416 WeakPolarHBondContact O-CB 3.46Å; L413-L416 PolarHBondContact O-N 3.42Å; L413-V417 VanDerWaalsContact O-CG2 3.26Å; L413-V417 WeakPolarHBondContact O-CG2 3Å; L413-V417 PolarHBondContact O-N 3.25Å; L413-L434 HydrophobicContact CD2-CD2 3.79Å; L413-L448 HydrophobicContact CD1-CB 3.69Å; L413-M449 HydrophobicContact CD1-CG 4.29Å; L413-M449 HydrophobicContact CD2-CG 4.49Å; L413-A452 HydrophobicContact CB-CB 4.08Å; L413-A452 HydrophobicContact CD1-CB 4.38Å; L413-A452 HydrophobicContact CD2-CB 3.83Å; L413-A452 HydrophobicContact CG-CB 4.32Å |
| 414 | T | 95.3 | Very high | 93.2 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 53% | 0.528 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -38 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | K410 A412 K418 | K410-T414 VanDerWaalsContact O-CB 3.29Å; K410-T414 WeakPolarHBondContact O-CB 3.36Å; K410-T414 PolarHBondContact O-N 3.48Å; K410-T414 PolarHBondContact O-OG1 2.65Å; A412-T414 PolarHBondContact O-N 3.09Å; T414-K418 WeakPolarHBondContact O-CB 3.4Å; T414-K418 PolarHBondContact O-N 3.08Å; T414-K418 VanDerWaalsContact O-N 3.1Å |
| 415 | S | 94.8 | Very high | 93.1 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | V365 T411 A412 L413 K418 L419 | V365-S415 VanDerWaalsContact CG2-OG 3.27Å; V365-S415 WeakPolarHBondContact CG2-OG 3.47Å; T411-S415 WeakPolarHBondContact O-CB 3.36Å; T411-S415 PolarHBondContact O-N 2.69Å; T411-S415 PolarHBondContact O-OG 2.89Å; A412-S415 WeakPolarHBondContact O-CB 3.33Å; A412-S415 PolarHBondContact O-N 2.87Å; A412-S415 VanDerWaalsContact O-N 3.13Å; L413-S415 VanDerWaalsContact C-N 3.28Å; L413-S415 PolarHBondContact O-N 2.93Å; S415-K418 PolarHBondContact O-N 3.39Å; S415-L419 WeakPolarHBondContact O-CB 3.48Å; S415-L419 PolarHBondContact O-N 3.4Å |
| 416 | L | 95.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 175.1 | -174.9 | 59.1 | 0 | 0 | 0 | 111.7 | V390 L394 A412 L413 K418 L419 L420 A430 L434 | V390-L416 HydrophobicContact CG1-CB 4.02Å; V390-L416 HydrophobicContact CG1-CD1 4.23Å; V390-L416 HydrophobicContact CG1-CD2 4.14Å; V390-L416 HydrophobicContact CG1-CG 4.35Å; L394-L416 HydrophobicContact CD1-CD2 4.34Å; A412-L416 PolarHBondContact O-N 3.27Å; L413-L416 WeakPolarHBondContact O-CB 3.46Å; L413-L416 PolarHBondContact O-N 3.42Å; L416-K418 VanDerWaalsContact C-N 3.25Å; L416-K418 PolarHBondContact O-N 3.4Å; L416-L419 WeakPolarHBondContact O-CB 3.32Å; L416-L419 PolarHBondContact O-N 2.92Å; L416-L419 VanDerWaalsContact O-N 3.08Å; L416-L420 HydrophobicContact CD1-CD1 4.07Å; L416-L420 HydrophobicContact CD1-CD2 4.34Å; L416-L420 HydrophobicContact CD1-CG 4.02Å; L416-L420 HydrophobicContact CG-CD1 4.01Å; L416-L420 HydrophobicContact CG-CG 4.3Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.49Å; L416-A430 HydrophobicContact CD1-CB 4.23Å; L416-L434 HydrophobicContact CD2-CD1 4.06Å; L416-L434 HydrophobicContact CD2-CD2 4.48Å; L416-L434 HydrophobicContact CD2-CG 4.42Å |
| 417 | V | 94.8 | Very high | 93 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.5 | -43.8 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L413 K421 A452 A455 I456 | L413-V417 VanDerWaalsContact O-CG2 3.26Å; L413-V417 WeakPolarHBondContact O-CG2 3Å; L413-V417 PolarHBondContact O-N 3.25Å; V417-K421 WeakPolarHBondContact O-CB 3.45Å; V417-K421 PolarHBondContact O-N 2.84Å; V417-A452 HydrophobicContact CG2-CB 4.01Å; V417-A455 HydrophobicContact CG1-CB 3.9Å; V417-A455 HydrophobicContact CG2-CB 4.26Å; V417-I456 HydrophobicContact CG2-CD1 4.37Å; V417-I456 HydrophobicContact CG2-CG1 4.09Å |
| 418 | K | 93.1 | Very high | 92.9 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.8 | -168.6 | -174.1 | 177.4 | -177.5 | 0 | 112.2 | I372 T414 S415 L416 N422 | I372-K418 HydrophobicContact CD1-CB 4.47Å; I372-K418 HydrophobicContact CD1-CD 4.1Å; I372-K418 HydrophobicContact CD1-CG 3.88Å; T414-K418 WeakPolarHBondContact O-CB 3.4Å; T414-K418 PolarHBondContact O-N 3.08Å; T414-K418 VanDerWaalsContact O-N 3.1Å; S415-K418 PolarHBondContact O-N 3.39Å; L416-K418 VanDerWaalsContact C-N 3.25Å; L416-K418 PolarHBondContact O-N 3.4Å; K418-N422 PolarHBondContact O-N 3.48Å; K418-N422 PolarHBondContact O-ND2 3.07Å |
| 419 | L | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -52.7 | 176.5 | 178.5 | 64.3 | 0 | 0 | 0 | 110.5 | A371 I372 T386 V387 S415 L416 K421 N422 R423 L426 | A371-L419 HydrophobicContact CB-CD1 4Å; I372-L419 HydrophobicContact CG1-CD1 3.98Å; T386-L419 HydrophobicContact CG2-CD2 3.86Å; V387-L419 HydrophobicContact CG2-CD2 4.16Å; S415-L419 WeakPolarHBondContact O-CB 3.48Å; S415-L419 PolarHBondContact O-N 3.4Å; L416-L419 WeakPolarHBondContact O-CB 3.32Å; L416-L419 PolarHBondContact O-N 2.92Å; L416-L419 VanDerWaalsContact O-N 3.08Å; L419-K421 VanDerWaalsContact C-N 3.32Å; L419-K421 PolarHBondContact O-N 3.21Å; L419-N422 CarbonylContact O-C 3.37Å; L419-N422 PolarHBondContact O-N 2.96Å; L419-R423 HydrophobicContact CD1-CG 4.19Å; L419-R423 PolarHBondContact O-N 3.19Å; L419-L426 HydrophobicContact CD2-CD1 4.3Å; L419-L426 HydrophobicContact CG-CD1 4.31Å |
| 420 | L | 92.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -34 | -177 | -62.6 | -176.7 | 0 | 0 | 0 | 113 | L416 N422 R423 L426 A430 I456 | L416-L420 HydrophobicContact CD1-CD1 4.07Å; L416-L420 HydrophobicContact CD1-CD2 4.34Å; L416-L420 HydrophobicContact CD1-CG 4.02Å; L416-L420 HydrophobicContact CG-CD1 4.01Å; L416-L420 HydrophobicContact CG-CG 4.3Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.49Å; L420-N422 VanDerWaalsContact C-N 3.25Å; L420-N422 PolarHBondContact O-N 2.99Å; L420-R423 CarbonylContact O-C 3.58Å; L420-R423 PolarHBondContact O-N 3.33Å; L420-L426 HydrophobicContact CD2-CB 3.68Å; L420-A430 HydrophobicContact CD1-CB 3.87Å; L420-A430 HydrophobicContact CD2-CB 4.18Å; L420-I456 HydrophobicContact CD1-CD1 3.67Å; L420-I456 HydrophobicContact CD1-CG1 4.03Å; L420-I456 HydrophobicContact CD1-CG2 4.36Å |
| 421 | K | 89.5 | Confident | 92.6 | Very high | 77 Ų | 77 | 41.9 Ų | 41.9 | 34% | 0.335 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -34.3 | 173.1 | -174.4 | 175.6 | -178 | 171.4 | 0 | 112.4 | V417 L419 E741 | V417-K421 WeakPolarHBondContact O-CB 3.45Å; V417-K421 PolarHBondContact O-N 2.84Å; L419-K421 VanDerWaalsContact C-N 3.32Å; L419-K421 PolarHBondContact O-N 3.21Å; K421-E741 IonicContact NZ-OE1 2.76Å |
| 422 | N | 88.8 | Confident | 92.6 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -95.1 | -21.5 | -179 | -68.9 | -86 | 0 | 0 | 0 | 113.2 | I372 K418 L419 L420 | I372-N422 HydrophobicContact CG1-CB 4.23Å; I372-N422 HydrophobicContact CG2-CB 4.03Å; K418-N422 PolarHBondContact O-N 3.48Å; K418-N422 PolarHBondContact O-ND2 3.07Å; L419-N422 CarbonylContact O-C 3.37Å; L419-N422 PolarHBondContact O-N 2.96Å; L420-N422 VanDerWaalsContact C-N 3.25Å; L420-N422 PolarHBondContact O-N 2.99Å |
| 423 | R | 88.3 | Confident | 92.5 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 15% | 0.151 | 24% | 0.24 | C | C | . | . | trans | -128.7 | 73.9 | 179.9 | -60.5 | -60.2 | -171.2 | 178.9 | -0.9 | 110.7 | A371 I379 E383 L419 L420 H425 L426 | A371-R423 PolarHBondContact O-NE 3.02Å; A371-R423 PolarHBondContact O-NH2 2.87Å; A371-R423 VanDerWaalsContact O-NH2 3.13Å; I379-R423 VanDerWaalsContact CD1-NH2 3.3Å; E383-R423 WeakPolarHBondContact OE1-CD 3.46Å; E383-R423 WeakPolarHBondContact OE1-CG 3.37Å; E383-R423 IonicContact OE1-CZ 3.22Å; E383-R423 IonicContact OE1-NE 2.79Å; E383-R423 PolarHBondContact OE1-NE 3.47Å; L419-R423 HydrophobicContact CD1-CG 4.19Å; L419-R423 PolarHBondContact O-N 3.19Å; L420-R423 CarbonylContact O-C 3.58Å; L420-R423 PolarHBondContact O-N 3.33Å; R423-H425 PolarHBondContact O-N 3.33Å; R423-H425 VanDerWaalsContact O-N 3.15Å; R423-L426 HydrophobicContact CB-CD1 3.86Å; R423-L426 HydrophobicContact CB-CG 4.25Å; R423-L426 PolarHBondContact O-N 3.42Å | ||
| 424 | P | 89.1 | Confident | 92.5 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -60.9 | -24.5 | -173.8 | -27 | 36.9 | 0 | 0 | 0 | 115.1 | L426 S427 L460 | P424-L426 PolarHBondContact O-N 2.9Å; P424-S427 VanDerWaalsContact O-CB 3.26Å; P424-S427 WeakPolarHBondContact O-CB 3.06Å; P424-S427 PolarHBondContact O-N 3.31Å; P424-S427 VanDerWaalsContact O-N 3.13Å; P424-S427 PolarHBondContact O-OG 3.11Å; P424-L460 HydrophobicContact CB-CD1 4.2Å; P424-L460 HydrophobicContact CB-CD2 4.05Å |
| 425 | H | 89.4 | Confident | 92.4 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 54% | 0.542 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -64.8 | -18.8 | 179.3 | 65.7 | -76 | 0 | 0 | 0 | 113.7 | E383 R423 | E383-H425 IonicContact OE1-CE1 3.47Å; E383-H425 PolarHBondContact OE1-CE1 3.15Å; E383-H425 IonicContact OE1-NE2 3.76Å; E383-H425 IonicContact OE2-CE1 3.34Å; E383-H425 PolarHBondContact OE2-CE1 2.93Å; E383-H425 IonicContact OE2-NE2 2.78Å; E383-H425 PolarHBondContact OE2-NE2 3.32Å; R423-H425 PolarHBondContact O-N 3.33Å; R423-H425 VanDerWaalsContact O-N 3.15Å |
| 426 | L | 91.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -87.7 | -4 | 177.5 | -57.5 | 176.4 | 0 | 0 | 0 | 113.4 | E383 V387 L419 L420 R423 P424 | E383-L426 HydrophobicContact CB-CD1 3.98Å; E383-L426 HydrophobicContact CB-CD2 4.36Å; E383-L426 HydrophobicContact CG-CD1 4.04Å; V387-L426 HydrophobicContact CG2-CD1 4.2Å; L419-L426 HydrophobicContact CD2-CD1 4.3Å; L419-L426 HydrophobicContact CG-CD1 4.31Å; L420-L426 HydrophobicContact CD2-CB 3.68Å; R423-L426 HydrophobicContact CB-CD1 3.86Å; R423-L426 HydrophobicContact CB-CG 4.25Å; R423-L426 PolarHBondContact O-N 3.42Å; P424-L426 PolarHBondContact O-N 2.9Å |
| 427 | S | 91.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.8 | -42.3 | -166.3 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | P424 A430 V431 | P424-S427 VanDerWaalsContact O-CB 3.26Å; P424-S427 WeakPolarHBondContact O-CB 3.06Å; P424-S427 PolarHBondContact O-N 3.31Å; P424-S427 VanDerWaalsContact O-N 3.13Å; P424-S427 PolarHBondContact O-OG 3.11Å; S427-A430 PolarHBondContact O-N 3.49Å; S427-V431 WeakPolarHBondContact O-CG2 3.5Å; S427-V431 PolarHBondContact O-N 3.38Å |
| 428 | Q | 92.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 43 Ų | 43 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -53.2 | -177.6 | -179.8 | 73.5 | 24.5 | 0 | 0 | 112.3 | A430 V431 E432 L463 | Q428-A430 VanDerWaalsContact C-N 3.32Å; Q428-A430 PolarHBondContact O-N 2.86Å; Q428-V431 PolarHBondContact O-N 3.35Å; Q428-E432 PolarHBondContact NE2-OE1 2.83Å; Q428-E432 WeakPolarHBondContact O-CG 3.47Å; Q428-E432 PolarHBondContact O-N 3.36Å; Q428-E432 VanDerWaalsContact O-N 3.09Å; Q428-L463 HydrophobicContact CB-CD2 4.31Å |
| 429 | P | 92.6 | Very high | 91.9 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 178.9 | -22.2 | 34.1 | 0 | 0 | 0 | 113.1 | V431 E432 F433 | P429-V431 PolarHBondContact O-N 3.25Å; P429-E432 PolarHBondContact O-N 3.36Å; P429-F433 PolarHBondContact O-N 3.36Å |
| 430 | A | 93.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L416 L420 S427 Q428 L434 | L416-A430 HydrophobicContact CD1-CB 4.23Å; L420-A430 HydrophobicContact CD1-CB 3.87Å; L420-A430 HydrophobicContact CD2-CB 4.18Å; S427-A430 PolarHBondContact O-N 3.49Å; Q428-A430 VanDerWaalsContact C-N 3.32Å; Q428-A430 PolarHBondContact O-N 2.86Å; A430-L434 VanDerWaalsContact O-CG 3.32Å; A430-L434 WeakPolarHBondContact O-CG 3.41Å; A430-L434 PolarHBondContact O-N 2.85Å |
| 431 | V | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 174.5 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | S427 Q428 P429 F433 L434 L435 L453 I456 L463 M467 | S427-V431 WeakPolarHBondContact O-CG2 3.5Å; S427-V431 PolarHBondContact O-N 3.38Å; Q428-V431 PolarHBondContact O-N 3.35Å; P429-V431 PolarHBondContact O-N 3.25Å; V431-F433 VanDerWaalsContact C-N 3.29Å; V431-F433 PolarHBondContact O-N 3.19Å; V431-L434 PolarHBondContact O-N 3.33Å; V431-L434 VanDerWaalsContact O-N 3.12Å; V431-L435 HydrophobicContact CG1-CD1 3.95Å; V431-L435 HydrophobicContact CG1-CG 4.31Å; V431-L435 WeakPolarHBondContact O-CG 3.43Å; V431-L435 PolarHBondContact O-N 2.98Å; V431-L453 HydrophobicContact CG1-CD2 4.17Å; V431-L453 HydrophobicContact CG2-CD2 4.27Å; V431-I456 HydrophobicContact CG2-CG2 4.05Å; V431-L463 HydrophobicContact CG2-CD1 4.05Å; V431-M467 HydrophobicContact CG1-CE 3.77Å; V431-M467 HydrophobicContact CG2-CE 4.39Å |
| 432 | E | 93.4 | Very high | 91.8 | Very high | 112 Ų | 112 | 45 Ų | 45 | 52% | 0.523 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 176.2 | -71.5 | 170.5 | -170.1 | 0 | 0 | 111.5 | Q428 P429 L435 G436 | Q428-E432 PolarHBondContact NE2-OE1 2.83Å; Q428-E432 WeakPolarHBondContact O-CG 3.47Å; Q428-E432 PolarHBondContact O-N 3.36Å; Q428-E432 VanDerWaalsContact O-N 3.09Å; P429-E432 PolarHBondContact O-N 3.36Å; E432-L435 PolarHBondContact O-N 2.95Å; E432-G436 PolarHBondContact O-N 3.39Å |
| 433 | F | 94.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 173.8 | 175.6 | -91.1 | 0 | 0 | 0 | 112.4 | E391 L394 M395 P429 V431 L435 G436 Q437 | E391-F433 HydrophobicContact CB-CD1 4.39Å; E391-F433 HydrophobicContact CB-CD2 4.22Å; E391-F433 HydrophobicContact CB-CE1 3.95Å; E391-F433 HydrophobicContact CB-CE2 3.76Å; E391-F433 HydrophobicContact CB-CZ 3.61Å; E391-F433 HydrophobicContact CG-CD1 3.74Å; E391-F433 HydrophobicContact CG-CD2 3.85Å; E391-F433 HydrophobicContact CG-CE1 3.81Å; E391-F433 HydrophobicContact CG-CE2 3.91Å; E391-F433 HydrophobicContact CG-CG 3.77Å; E391-F433 HydrophobicContact CG-CZ 3.88Å; L394-F433 HydrophobicContact CB-CE1 3.94Å; L394-F433 HydrophobicContact CB-CZ 4.39Å; L394-F433 HydrophobicContact CD1-CD1 4.27Å; L394-F433 HydrophobicContact CD1-CE1 3.74Å; L394-F433 HydrophobicContact CG-CE1 4.46Å; M395-F433 HydrophobicContact CG-CE2 4.3Å; M395-F433 HydrophobicContact CG-CZ 3.94Å; M395-F433 HydrophobicContact SD-CE2 3.94Å; M395-F433 HydrophobicContact SD-CZ 3.83Å; P429-F433 PolarHBondContact O-N 3.36Å; V431-F433 VanDerWaalsContact C-N 3.29Å; V431-F433 PolarHBondContact O-N 3.19Å; F433-L435 VanDerWaalsContact C-N 3.33Å; F433-L435 PolarHBondContact O-N 3.19Å; F433-G436 PolarHBondContact O-N 2.94Å; F433-Q437 HydrophobicContact CD1-CG 4.03Å; F433-Q437 HydrophobicContact CE1-CG 3.44Å; F433-Q437 VanDerWaalsContact CE1-CG 3.44Å; F433-Q437 HydrophobicContact CE2-CG 4.05Å; F433-Q437 HydrophobicContact CZ-CG 3.46Å; F433-Q437 VanDerWaalsContact CZ-CG 3.46Å; F433-Q437 WeakPolarHBondContact O-CG 3.42Å; F433-Q437 PolarHBondContact O-N 3Å |
| 434 | L | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 179.2 | -74.4 | 174.4 | 0 | 0 | 0 | 112.1 | L394 L413 L416 A430 V431 Q437 L438 M449 L453 I456 | L394-L434 HydrophobicContact CD1-CD2 3.77Å; L413-L434 HydrophobicContact CD2-CD2 3.79Å; L416-L434 HydrophobicContact CD2-CD1 4.06Å; L416-L434 HydrophobicContact CD2-CD2 4.48Å; L416-L434 HydrophobicContact CD2-CG 4.42Å; A430-L434 VanDerWaalsContact O-CG 3.32Å; A430-L434 WeakPolarHBondContact O-CG 3.41Å; A430-L434 PolarHBondContact O-N 2.85Å; V431-L434 PolarHBondContact O-N 3.33Å; V431-L434 VanDerWaalsContact O-N 3.12Å; L434-Q437 PolarHBondContact O-N 2.99Å; L434-L438 WeakPolarHBondContact O-CG 3.34Å; L434-L438 PolarHBondContact O-N 2.99Å; L434-M449 HydrophobicContact CD2-CG 4.47Å; L434-L453 HydrophobicContact CB-CD2 3.96Å; L434-L453 HydrophobicContact CB-CG 4.4Å; L434-L453 HydrophobicContact CD1-CD2 3.83Å; L434-L453 HydrophobicContact CD1-CG 4.25Å; L434-I456 HydrophobicContact CD1-CD1 4.02Å |
| 435 | L | 93.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 176 | -67 | 172.3 | 0 | 0 | 0 | 111.5 | V431 E432 F433 Q437 L438 H439 L453 M467 D470 L471 | V431-L435 HydrophobicContact CG1-CD1 3.95Å; V431-L435 HydrophobicContact CG1-CG 4.31Å; V431-L435 WeakPolarHBondContact O-CG 3.43Å; V431-L435 PolarHBondContact O-N 2.98Å; E432-L435 PolarHBondContact O-N 2.95Å; F433-L435 VanDerWaalsContact C-N 3.33Å; F433-L435 PolarHBondContact O-N 3.19Å; L435-Q437 VanDerWaalsContact C-N 3.34Å; L435-Q437 PolarHBondContact O-N 2.77Å; L435-L438 HydrophobicContact CD2-CD1 4.16Å; L435-L438 PolarHBondContact O-N 2.94Å; L435-H439 PolarHBondContact O-ND1 3.38Å; L435-L453 HydrophobicContact CD2-CD1 4.06Å; L435-M467 HydrophobicContact CD1-CB 3.76Å; L435-M467 HydrophobicContact CD2-CB 4.08Å; L435-M467 HydrophobicContact CG-CB 4.48Å; L435-D470 HydrophobicContact CD2-CB 4.28Å; L435-L471 HydrophobicContact CD2-CD2 4.26Å; L435-L471 HydrophobicContact CD2-CG 4.38Å |
| 436 | G | 93 | Very high | 92.4 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E432 F433 | E432-G436 PolarHBondContact O-N 3.39Å; F433-G436 PolarHBondContact O-N 2.94Å |
| 437 | Q | 93.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.2 | -29.6 | 179.7 | -71.6 | -46.3 | -63.8 | 0 | 0 | 114.6 | M395 F433 L434 L435 H439 L440 S441 M449 | M395-Q437 HydrophobicContact SD-CG 4.19Å; M395-Q437 PolarHBondContact SD-NE2 3.49Å; M395-Q437 PolarHBondContact SD-OE1 3.04Å; F433-Q437 HydrophobicContact CD1-CG 4.03Å; F433-Q437 HydrophobicContact CE1-CG 3.44Å; F433-Q437 VanDerWaalsContact CE1-CG 3.44Å; F433-Q437 HydrophobicContact CE2-CG 4.05Å; F433-Q437 HydrophobicContact CZ-CG 3.46Å; F433-Q437 VanDerWaalsContact CZ-CG 3.46Å; F433-Q437 WeakPolarHBondContact O-CG 3.42Å; F433-Q437 PolarHBondContact O-N 3Å; L434-Q437 PolarHBondContact O-N 2.99Å; L435-Q437 VanDerWaalsContact C-N 3.34Å; L435-Q437 PolarHBondContact O-N 2.77Å; Q437-H439 PolarHBondContact O-N 3.1Å; Q437-L440 CarbonylContact O-C 3.42Å; Q437-L440 PolarHBondContact O-N 2.98Å; Q437-S441 WeakPolarHBondContact O-CB 3.45Å; Q437-S441 PolarHBondContact O-N 3.04Å; Q437-S441 VanDerWaalsContact O-N 3.09Å; Q437-S441 PolarHBondContact O-OG 2.92Å; Q437-M449 HydrophobicContact CB-CE 3.92Å; Q437-M449 HydrophobicContact CB-SD 4.09Å |
| 438 | L | 92 | Very high | 92.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -40.5 | 177.3 | -82.4 | 175 | 0 | 0 | 0 | 111.9 | L434 L435 L440 R446 M449 L453 L471 L474 | L434-L438 WeakPolarHBondContact O-CG 3.34Å; L434-L438 PolarHBondContact O-N 2.99Å; L435-L438 HydrophobicContact CD2-CD1 4.16Å; L435-L438 PolarHBondContact O-N 2.94Å; L438-L440 VanDerWaalsContact C-N 3.28Å; L438-L440 PolarHBondContact O-N 3.05Å; L438-R446 HydrophobicContact CD2-CB 4.1Å; L438-R446 HydrophobicContact CD2-CG 4.19Å; L438-R446 WeakPolarHBondContact O-CG 3.33Å; L438-R446 PolarHBondContact O-NE 3.24Å; L438-M449 HydrophobicContact CD2-CB 3.56Å; L438-M449 HydrophobicContact CD2-CG 4.45Å; L438-M449 HydrophobicContact CD2-SD 4.09Å; L438-M449 HydrophobicContact CG-CB 4.31Å; L438-M449 HydrophobicContact CG-SD 4.43Å; L438-L453 HydrophobicContact CD1-CD1 3.6Å; L438-L453 HydrophobicContact CG-CD1 4.48Å; L438-L471 HydrophobicContact CD1-CD2 4.15Å; L438-L474 HydrophobicContact CB-CD1 3.62Å; L438-L474 HydrophobicContact CD1-CD1 3.82Å; L438-L474 HydrophobicContact CG-CD1 4.35Å |
| 439 | H | 88.9 | Confident | 92.9 | Very high | 90 Ų | 90 | 32.8 Ų | 32.8 | 42% | 0.417 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.2 | -35.6 | 178.3 | -66.9 | 86.9 | 0 | 0 | 0 | 112.2 | L435 Q437 R446 | L435-H439 PolarHBondContact O-ND1 3.38Å; Q437-H439 PolarHBondContact O-N 3.1Å; H439-R446 PolarHBondContact O-NH2 2.97Å |
| 440 | L | 89.9 | Confident | 93.1 | Very high | 104 Ų | 104 | 29.3 Ų | 29.3 | 55% | 0.545 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 8.7 | -173.7 | -57.7 | 177.3 | 0 | 0 | 0 | 114.1 | Q399 Q437 L438 | Q399-L440 PolarHBondContact NE2-O 3.5Å; Q437-L440 CarbonylContact O-C 3.42Å; Q437-L440 PolarHBondContact O-N 2.98Å; L438-L440 VanDerWaalsContact C-N 3.28Å; L438-L440 PolarHBondContact O-N 3.05Å |
| 441 | S | 91.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -106.7 | 157.7 | -175.5 | -67.1 | 0 | 0 | 0 | 0 | 112.9 | S398 Q437 R446 M449 | S398-S441 WeakPolarHBondContact CB-OG 3.37Å; S398-S441 WeakPolarHBondContact O-CA 3.43Å; S398-S441 PolarHBondContact OG-OG 3.5Å; Q437-S441 WeakPolarHBondContact O-CB 3.45Å; Q437-S441 PolarHBondContact O-N 3.04Å; Q437-S441 VanDerWaalsContact O-N 3.09Å; Q437-S441 PolarHBondContact O-OG 2.92Å; S441-R446 VanDerWaalsContact O-CZ 3.26Å; S441-R446 PolarHBondContact O-NE 3.19Å; S441-R446 PolarHBondContact O-NH2 3.23Å; S441-M449 VanDerWaalsContact OG-CE 3.26Å; S441-M449 WeakPolarHBondContact OG-CE 3.4Å |
| 442 | C | 90.8 | Very high | 93.3 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | trans | -75.3 | 160.9 | 167.4 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | S398 S444 S445 R446 | S398-C442 PolarHBondContact O-N 3.34Å; S398-C442 PolarHBondContact O-SG 3.29Å; S398-C442 VanDerWaalsContact O-SG 3.36Å; C442-S444 VanDerWaalsContact C-N 3.33Å; C442-S444 PolarHBondContact O-N 3.36Å; C442-S444 PolarHBondContact SG-OG 3.1Å; C442-S445 WeakPolarHBondContact O-CB 3.26Å; C442-S445 PolarHBondContact O-N 3.01Å; C442-S445 VanDerWaalsContact O-N 3.1Å; C442-S445 PolarHBondContact SG-OG 3.31Å; C442-S445 VanDerWaalsContact SG-OG 3.37Å; C442-R446 WeakPolarHBondContact O-CG 3.28Å; C442-R446 PolarHBondContact O-N 2.77Å | ||
| 443 | D | 90.2 | Very high | 93.4 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 24% | 0.235 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -37.1 | -169.8 | -69.1 | -17.5 | 0 | 0 | 0 | 113.8 | S445 R446 V447 L489 | D443-S445 PolarHBondContact O-N 3.26Å; D443-R446 PolarHBondContact O-N 3.39Å; D443-R446 IonicContact OD1-CZ 3.25Å; D443-R446 IonicContact OD1-NH1 2.71Å; D443-R446 PolarHBondContact OD1-NH1 2.87Å; D443-V447 WeakPolarHBondContact O-CG2 3.26Å; D443-V447 PolarHBondContact O-N 2.93Å; D443-L489 HydrophobicContact CB-CD2 4.02Å; D443-L489 WeakPolarHBondContact OD1-CD2 3.43Å |
| 444 | S | 90.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 175 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | Q406 C442 V447 L448 | Q406-S444 PolarHBondContact NE2-OG 3.41Å; Q406-S444 PolarHBondContact OE1-O 3.37Å; C442-S444 VanDerWaalsContact C-N 3.33Å; C442-S444 PolarHBondContact O-N 3.36Å; C442-S444 PolarHBondContact SG-OG 3.1Å; S444-V447 PolarHBondContact O-N 3.23Å; S444-L448 PolarHBondContact O-N 3.22Å |
| 445 | S | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 174.4 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | C397 S398 Q406 L409 C442 D443 V447 L448 M449 | C397-S445 PolarHBondContact O-OG 2.77Å; S398-S445 WeakPolarHBondContact O-CB 3.25Å; S398-S445 PolarHBondContact O-OG 3.32Å; Q406-S445 PolarHBondContact NE2-OG 3.29Å; L409-S445 VanDerWaalsContact CD2-CB 3.49Å; L409-S445 WeakPolarHBondContact CD2-OG 3.48Å; C442-S445 WeakPolarHBondContact O-CB 3.26Å; C442-S445 PolarHBondContact O-N 3.01Å; C442-S445 VanDerWaalsContact O-N 3.1Å; C442-S445 PolarHBondContact SG-OG 3.31Å; C442-S445 VanDerWaalsContact SG-OG 3.37Å; D443-S445 PolarHBondContact O-N 3.26Å; S445-V447 VanDerWaalsContact C-N 3.29Å; S445-V447 PolarHBondContact O-N 3.32Å; S445-L448 PolarHBondContact O-N 3.03Å; S445-L448 VanDerWaalsContact O-N 3.13Å; S445-M449 WeakPolarHBondContact O-CG 2.98Å; S445-M449 PolarHBondContact O-N 3.47Å |
| 446 | R | 94 | Very high | 93.1 | Very high | 57 Ų | 57 | 28.4 Ų | 28.4 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -40.9 | 176.1 | -71 | 175.4 | 177 | 159.6 | -3.3 | 111.9 | L438 H439 S441 C442 D443 L448 M449 C450 L489 | L438-R446 HydrophobicContact CD2-CB 4.1Å; L438-R446 HydrophobicContact CD2-CG 4.19Å; L438-R446 WeakPolarHBondContact O-CG 3.33Å; L438-R446 PolarHBondContact O-NE 3.24Å; H439-R446 PolarHBondContact O-NH2 2.97Å; S441-R446 VanDerWaalsContact O-CZ 3.26Å; S441-R446 PolarHBondContact O-NE 3.19Å; S441-R446 PolarHBondContact O-NH2 3.23Å; C442-R446 WeakPolarHBondContact O-CG 3.28Å; C442-R446 PolarHBondContact O-N 2.77Å; D443-R446 PolarHBondContact O-N 3.39Å; D443-R446 IonicContact OD1-CZ 3.25Å; D443-R446 IonicContact OD1-NH1 2.71Å; D443-R446 PolarHBondContact OD1-NH1 2.87Å; R446-L448 PolarHBondContact O-N 3.3Å; R446-M449 PolarHBondContact O-N 3.07Å; R446-C450 WeakPolarHBondContact O-CB 3.33Å; R446-C450 PolarHBondContact O-N 2.81Å; R446-C450 PolarHBondContact O-SG 3.13Å; R446-L489 HydrophobicContact CB-CD1 3.52Å |
| 447 | V | 94.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.5 | -48.4 | 174.8 | 165.5 | 0 | 0 | 0 | 0 | 111.1 | D443 S444 S445 C450 H451 E488 L489 | D443-V447 WeakPolarHBondContact O-CG2 3.26Å; D443-V447 PolarHBondContact O-N 2.93Å; S444-V447 PolarHBondContact O-N 3.23Å; S445-V447 VanDerWaalsContact C-N 3.29Å; S445-V447 PolarHBondContact O-N 3.32Å; V447-C450 PolarHBondContact O-N 3.22Å; V447-H451 VanDerWaalsContact CG1-CE1 3.46Å; V447-H451 WeakPolarHBondContact CG1-CE1 3.38Å; V447-H451 VanDerWaalsContact O-CG 3.31Å; V447-H451 PolarHBondContact O-N 3.18Å; V447-H451 PolarHBondContact O-ND1 2.93Å; V447-E488 HydrophobicContact CG1-CG 3.87Å; V447-E488 HydrophobicContact CG2-CB 4.22Å; V447-E488 HydrophobicContact CG2-CG 3.98Å; V447-L489 HydrophobicContact CG2-CB 3.97Å; V447-L489 HydrophobicContact CG2-CD1 4.22Å |
| 448 | L | 95.7 | Very high | 92.7 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 179 | -65.8 | -179 | 0 | 0 | 0 | 112.3 | Q406 L409 K410 L413 S444 S445 R446 H451 A452 | Q406-L448 VanDerWaalsContact OE1-CD1 3.23Å; L409-L448 HydrophobicContact CB-CD1 4.28Å; L409-L448 HydrophobicContact CD2-CB 4.43Å; L409-L448 HydrophobicContact CD2-CD1 3.99Å; L409-L448 HydrophobicContact CG-CD1 4.02Å; K410-L448 HydrophobicContact CB-CD1 4.19Å; L413-L448 HydrophobicContact CD1-CB 3.69Å; S444-L448 PolarHBondContact O-N 3.22Å; S445-L448 PolarHBondContact O-N 3.03Å; S445-L448 VanDerWaalsContact O-N 3.13Å; R446-L448 PolarHBondContact O-N 3.3Å; L448-H451 WeakPolarHBondContact O-CB 3.37Å; L448-H451 PolarHBondContact O-N 3.4Å; L448-A452 PolarHBondContact O-N 3.31Å |
| 449 | M | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 176 | -69.4 | 177.2 | 179.4 | 0 | 0 | 111.8 | S398 L409 L413 L434 Q437 L438 S441 S445 R446 H451 A452 L453 | S398-M449 WeakPolarHBondContact OG-CE 3.36Å; L409-M449 HydrophobicContact CD1-CE 4.46Å; L413-M449 HydrophobicContact CD1-CG 4.29Å; L413-M449 HydrophobicContact CD2-CG 4.49Å; L434-M449 HydrophobicContact CD2-CG 4.47Å; Q437-M449 HydrophobicContact CB-CE 3.92Å; Q437-M449 HydrophobicContact CB-SD 4.09Å; L438-M449 HydrophobicContact CD2-CB 3.56Å; L438-M449 HydrophobicContact CD2-CG 4.45Å; L438-M449 HydrophobicContact CD2-SD 4.09Å; L438-M449 HydrophobicContact CG-CB 4.31Å; L438-M449 HydrophobicContact CG-SD 4.43Å; S441-M449 VanDerWaalsContact OG-CE 3.26Å; S441-M449 WeakPolarHBondContact OG-CE 3.4Å; S445-M449 WeakPolarHBondContact O-CG 2.98Å; S445-M449 PolarHBondContact O-N 3.47Å; R446-M449 PolarHBondContact O-N 3.07Å; M449-H451 VanDerWaalsContact C-N 3.32Å; M449-H451 PolarHBondContact O-N 3.08Å; M449-A452 WeakPolarHBondContact O-CB 3.41Å; M449-A452 PolarHBondContact O-N 2.49Å; M449-A452 VanDerWaalsContact O-N 3.13Å; M449-L453 WeakPolarHBondContact O-CG 3.31Å; M449-L453 PolarHBondContact O-N 2.59Å |
| 450 | C | 96.2 | Very high | 92 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 174 | -69 | 0 | 0 | 0 | 0 | 111.8 | R446 V447 A452 L453 A454 L493 V496 | R446-C450 WeakPolarHBondContact O-CB 3.33Å; R446-C450 PolarHBondContact O-N 2.81Å; R446-C450 PolarHBondContact O-SG 3.13Å; V447-C450 PolarHBondContact O-N 3.22Å; C450-A452 VanDerWaalsContact C-N 3.32Å; C450-A452 PolarHBondContact O-N 3.02Å; C450-L453 PolarHBondContact O-N 2.59Å; C450-A454 WeakPolarHBondContact O-CB 3.28Å; C450-A454 PolarHBondContact O-N 3.33Å; C450-L493 VanDerWaalsContact SG-CD2 3.54Å; C450-V496 HydrophobicContact CB-CG1 4.41Å |
| 451 | H | 95.5 | Very high | 91.7 | Very high | 87 Ų | 87 | 24 Ų | 24 | 40% | 0.403 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63 | -38.8 | 174.2 | -65.4 | 154.1 | 0 | 0 | 0 | 112.3 | V447 L448 M449 A455 S492 | V447-H451 VanDerWaalsContact CG1-CE1 3.46Å; V447-H451 WeakPolarHBondContact CG1-CE1 3.38Å; V447-H451 VanDerWaalsContact O-CG 3.31Å; V447-H451 PolarHBondContact O-N 3.18Å; V447-H451 PolarHBondContact O-ND1 2.93Å; L448-H451 WeakPolarHBondContact O-CB 3.37Å; L448-H451 PolarHBondContact O-N 3.4Å; M449-H451 VanDerWaalsContact C-N 3.32Å; M449-H451 PolarHBondContact O-N 3.08Å; H451-A455 WeakPolarHBondContact O-CB 3.18Å; H451-A455 PolarHBondContact O-N 3.47Å; H451-S492 PolarHBondContact NE2-OG 2.83Å; H451-S492 VanDerWaalsContact NE2-OG 3.08Å |
| 452 | A | 95.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L413 V417 L448 M449 C450 A454 A455 I456 | L413-A452 HydrophobicContact CB-CB 4.08Å; L413-A452 HydrophobicContact CD1-CB 4.38Å; L413-A452 HydrophobicContact CD2-CB 3.83Å; L413-A452 HydrophobicContact CG-CB 4.32Å; V417-A452 HydrophobicContact CG2-CB 4.01Å; L448-A452 PolarHBondContact O-N 3.31Å; M449-A452 WeakPolarHBondContact O-CB 3.41Å; M449-A452 PolarHBondContact O-N 2.49Å; M449-A452 VanDerWaalsContact O-N 3.13Å; C450-A452 VanDerWaalsContact C-N 3.32Å; C450-A452 PolarHBondContact O-N 3.02Å; A452-A454 PolarHBondContact O-N 3.2Å; A452-A455 PolarHBondContact O-N 3.44Å; A452-I456 WeakPolarHBondContact O-CD1 3.37Å; A452-I456 VanDerWaalsContact O-CG1 3.27Å; A452-I456 WeakPolarHBondContact O-CG1 3.45Å; A452-I456 PolarHBondContact O-N 3.11Å |
| 453 | L | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 176 | -73.5 | 171.2 | 0 | 0 | 0 | 111.7 | V431 L434 L435 L438 M449 C450 A455 I456 A457 M467 L471 V496 | V431-L453 HydrophobicContact CG1-CD2 4.17Å; V431-L453 HydrophobicContact CG2-CD2 4.27Å; L434-L453 HydrophobicContact CB-CD2 3.96Å; L434-L453 HydrophobicContact CB-CG 4.4Å; L434-L453 HydrophobicContact CD1-CD2 3.83Å; L434-L453 HydrophobicContact CD1-CG 4.25Å; L435-L453 HydrophobicContact CD2-CD1 4.06Å; L438-L453 HydrophobicContact CD1-CD1 3.6Å; L438-L453 HydrophobicContact CG-CD1 4.48Å; M449-L453 WeakPolarHBondContact O-CG 3.31Å; M449-L453 PolarHBondContact O-N 2.59Å; C450-L453 PolarHBondContact O-N 2.59Å; L453-A455 VanDerWaalsContact C-N 3.32Å; L453-A455 PolarHBondContact O-N 3.49Å; L453-I456 PolarHBondContact O-N 2.91Å; L453-A457 VanDerWaalsContact O-CB 3.31Å; L453-A457 WeakPolarHBondContact O-CB 3.18Å; L453-A457 PolarHBondContact O-N 3.17Å; L453-M467 HydrophobicContact CD2-CE 4.46Å; L453-L471 HydrophobicContact CD1-CD2 4.42Å; L453-V496 HydrophobicContact CB-CG2 3.79Å |
| 454 | A | 93.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C450 A452 T458 V496 V499 | C450-A454 WeakPolarHBondContact O-CB 3.28Å; C450-A454 PolarHBondContact O-N 3.33Å; A452-A454 PolarHBondContact O-N 3.2Å; A454-T458 WeakPolarHBondContact O-CB 3.47Å; A454-T458 PolarHBondContact O-N 3.43Å; A454-T458 PolarHBondContact O-OG1 2.92Å; A454-V496 HydrophobicContact CB-CB 4.29Å; A454-V496 HydrophobicContact CB-CG2 4.39Å; A454-V499 HydrophobicContact CB-CG2 4.38Å |
| 455 | A | 91.9 | Very high | 90.3 | Very high | 35 Ų | 35 | 31.1 Ų | 31.1 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.9 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V417 H451 A452 L453 H459 | V417-A455 HydrophobicContact CG1-CB 3.9Å; V417-A455 HydrophobicContact CG2-CB 4.26Å; H451-A455 WeakPolarHBondContact O-CB 3.18Å; H451-A455 PolarHBondContact O-N 3.47Å; A452-A455 PolarHBondContact O-N 3.44Å; L453-A455 VanDerWaalsContact C-N 3.32Å; L453-A455 PolarHBondContact O-N 3.49Å; A455-H459 PolarHBondContact O-CD2 3.08Å |
| 456 | I | 91.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -52.5 | 176.9 | -66.3 | 160.4 | 0 | 0 | 0 | 110.3 | V417 L420 V431 L434 A452 L453 T458 H459 L460 L463 | V417-I456 HydrophobicContact CG2-CD1 4.37Å; V417-I456 HydrophobicContact CG2-CG1 4.09Å; L420-I456 HydrophobicContact CD1-CD1 3.67Å; L420-I456 HydrophobicContact CD1-CG1 4.03Å; L420-I456 HydrophobicContact CD1-CG2 4.36Å; V431-I456 HydrophobicContact CG2-CG2 4.05Å; L434-I456 HydrophobicContact CD1-CD1 4.02Å; A452-I456 WeakPolarHBondContact O-CD1 3.37Å; A452-I456 VanDerWaalsContact O-CG1 3.27Å; A452-I456 WeakPolarHBondContact O-CG1 3.45Å; A452-I456 PolarHBondContact O-N 3.11Å; L453-I456 PolarHBondContact O-N 2.91Å; I456-T458 VanDerWaalsContact C-N 3.29Å; I456-T458 PolarHBondContact O-N 2.93Å; I456-H459 PolarHBondContact O-N 3.34Å; I456-L460 PolarHBondContact O-N 3.01Å; I456-L463 HydrophobicContact CG2-CD1 3.79Å |
| 457 | A | 90.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -33.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L453 H459 L460 P461 M467 V499 | L453-A457 VanDerWaalsContact O-CB 3.31Å; L453-A457 WeakPolarHBondContact O-CB 3.18Å; L453-A457 PolarHBondContact O-N 3.17Å; A457-H459 PolarHBondContact O-N 3.34Å; A457-L460 CarbonylContact O-C 3.6Å; A457-L460 VanDerWaalsContact O-C 3.25Å; A457-L460 PolarHBondContact O-N 2.88Å; A457-P461 WeakPolarHBondContact O-CA 3.37Å; A457-M467 HydrophobicContact CB-CE 4.13Å; A457-M467 HydrophobicContact CB-SD 4.37Å; A457-V499 HydrophobicContact CB-CG1 3.77Å |
| 458 | T | 87.6 | Confident | 89.6 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -37.3 | 174.2 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | A454 I456 E741 R746 | A454-T458 WeakPolarHBondContact O-CB 3.47Å; A454-T458 PolarHBondContact O-N 3.43Å; A454-T458 PolarHBondContact O-OG1 2.92Å; I456-T458 VanDerWaalsContact C-N 3.29Å; I456-T458 PolarHBondContact O-N 2.93Å; T458-E741 WeakPolarHBondContact CG2-O 3.37Å; T458-R746 PolarHBondContact O-NH2 2.66Å |
| 459 | H | 83.3 | Confident | 89.3 | Confident | 52 Ų | 52 | 32.9 Ų | 32.9 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -84.5 | -33 | 178 | -71.8 | -48 | 0 | 0 | 0 | 113.1 | A455 I456 A457 | A455-H459 PolarHBondContact O-CD2 3.08Å; I456-H459 PolarHBondContact O-N 3.34Å; A457-H459 PolarHBondContact O-N 3.34Å |
| 460 | L | 84.6 | Confident | 89.1 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | trans | -127.6 | 80.2 | -176.7 | -67.2 | 167 | 0 | 0 | 0 | 110.6 | P424 I456 A457 V462 L463 | P424-L460 HydrophobicContact CB-CD1 4.2Å; P424-L460 HydrophobicContact CB-CD2 4.05Å; I456-L460 PolarHBondContact O-N 3.01Å; A457-L460 CarbonylContact O-C 3.6Å; A457-L460 VanDerWaalsContact O-C 3.25Å; A457-L460 PolarHBondContact O-N 2.88Å; L460-V462 PolarHBondContact O-N 2.95Å; L460-L463 HydrophobicContact CB-CD1 3.63Å; L460-L463 HydrophobicContact CB-CG 4.12Å; L460-L463 HydrophobicContact CD1-CD1 4.02Å; L460-L463 HydrophobicContact CG-CD1 4.49Å; L460-L463 WeakPolarHBondContact O-CB 3.44Å; L460-L463 PolarHBondContact O-N 3.38Å; L460-L463 VanDerWaalsContact O-N 3.17Å | ||
| 461 | P | 81.7 | Confident | 88.9 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -64.7 | -24.1 | -172.9 | -16.6 | 26 | 0 | 0 | 0 | 114.7 | A457 L463 G464 | A457-P461 WeakPolarHBondContact O-CA 3.37Å; P461-L463 PolarHBondContact O-N 3.13Å; P461-G464 PolarHBondContact O-N 2.94Å |
| 462 | V | 83.4 | Confident | 88.8 | Confident | 120 Ų | 120 | 32.5 Ų | 32.5 | 73% | 0.727 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -56.7 | -21.4 | 176 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | L460 | L460-V462 PolarHBondContact O-N 2.95Š|
| 463 | L | 86.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -82.4 | -17.8 | 177.7 | -56.6 | 171.4 | 0 | 0 | 0 | 112.5 | Q428 V431 I456 L460 P461 M467 | Q428-L463 HydrophobicContact CB-CD2 4.31Å; V431-L463 HydrophobicContact CG2-CD1 4.05Å; I456-L463 HydrophobicContact CG2-CD1 3.79Å; L460-L463 HydrophobicContact CB-CD1 3.63Å; L460-L463 HydrophobicContact CB-CG 4.12Å; L460-L463 HydrophobicContact CD1-CD1 4.02Å; L460-L463 HydrophobicContact CG-CD1 4.49Å; L460-L463 WeakPolarHBondContact O-CB 3.44Å; L460-L463 PolarHBondContact O-N 3.38Å; L460-L463 VanDerWaalsContact O-N 3.17Å; P461-L463 PolarHBondContact O-N 3.13Å; L463-M467 HydrophobicContact CB-CE 3.94Å; L463-M467 VanDerWaalsContact O-CE 3.32Å; L463-M467 WeakPolarHBondContact O-CE 3.45Å; L463-M467 WeakPolarHBondContact O-CG 3.14Å; L463-M467 PolarHBondContact O-N 3.01Å |
| 464 | G | 84.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P461 G466 M467 L468 | P461-G464 PolarHBondContact O-N 2.94Å; G464-G466 VanDerWaalsContact C-N 3.27Å; G464-G466 PolarHBondContact O-N 3.42Å; G464-M467 WeakPolarHBondContact O-CG 3.23Å; G464-M467 PolarHBondContact O-N 3.26Å; G464-L468 PolarHBondContact O-N 3.33Å |
| 465 | D | 80.9 | Confident | 88.4 | Confident | 117 Ų | 117 | 35.5 Ų | 35.5 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -37.4 | -178.2 | -69.2 | -22 | 0 | 0 | 0 | 111.9 | M467 | D465-M467 PolarHBondContact O-N 3.2Å |
| 466 | G | 84.9 | Confident | 88.3 | Confident | 60 Ų | 60 | 38.9 Ų | 38.9 | 62% | 0.619 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69.1 | -28.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | G464 | G464-G466 VanDerWaalsContact C-N 3.27Å; G464-G466 PolarHBondContact O-N 3.42Å |
| 467 | M | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -93.1 | -14.8 | -178.9 | 65.3 | 175.5 | 73.9 | 0 | 0 | 114.3 | V431 L435 L453 A457 L463 G464 D465 G469 D470 L471 V496 A500 | V431-M467 HydrophobicContact CG1-CE 3.77Å; V431-M467 HydrophobicContact CG2-CE 4.39Å; L435-M467 HydrophobicContact CD1-CB 3.76Å; L435-M467 HydrophobicContact CD2-CB 4.08Å; L435-M467 HydrophobicContact CG-CB 4.48Å; L453-M467 HydrophobicContact CD2-CE 4.46Å; A457-M467 HydrophobicContact CB-CE 4.13Å; A457-M467 HydrophobicContact CB-SD 4.37Å; L463-M467 HydrophobicContact CB-CE 3.94Å; L463-M467 VanDerWaalsContact O-CE 3.32Å; L463-M467 WeakPolarHBondContact O-CE 3.45Å; L463-M467 WeakPolarHBondContact O-CG 3.14Å; L463-M467 PolarHBondContact O-N 3.01Å; G464-M467 WeakPolarHBondContact O-CG 3.23Å; G464-M467 PolarHBondContact O-N 3.26Å; D465-M467 PolarHBondContact O-N 3.2Å; M467-G469 PolarHBondContact O-N 3.44Å; M467-D470 PolarHBondContact O-N 2.92Å; M467-L471 HydrophobicContact CB-CD1 4.17Å; M467-L471 HydrophobicContact CG-CD1 3.77Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.49Å; M467-L471 PolarHBondContact O-N 2.91Å; M467-L471 VanDerWaalsContact O-N 3.14Å; M467-L471 HydrophobicContact SD-CD1 3.88Å; M467-V496 HydrophobicContact SD-CG2 4.21Å; M467-A500 HydrophobicContact CG-CB 4.04Å; M467-A500 HydrophobicContact SD-CB 4.32Å |
| 468 | L | 90.2 | Very high | 87.6 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | -169.1 | -176 | 62.2 | 0 | 0 | 0 | 112.9 | G464 L471 V472 I497 A500 | G464-L468 PolarHBondContact O-N 3.33Å; L468-L471 PolarHBondContact O-N 3.42Å; L468-V472 HydrophobicContact CD1-CG2 4.18Å; L468-V472 HydrophobicContact CG-CG2 4.43Å; L468-V472 WeakPolarHBondContact O-CG2 3.18Å; L468-V472 PolarHBondContact O-N 3.29Å; L468-I497 HydrophobicContact CD1-CG2 3.94Å; L468-A500 HydrophobicContact CD1-CB 4.31Å |
| 469 | G | 90.2 | Very high | 86.6 | Confident | 44 Ų | 44 | 42 Ų | 42 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59 | -55 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M467 L471 V472 D473 | M467-G469 PolarHBondContact O-N 3.44Å; G469-L471 VanDerWaalsContact C-N 3.29Å; G469-L471 PolarHBondContact O-N 2.96Å; G469-V472 PolarHBondContact O-N 3.32Å; G469-V472 VanDerWaalsContact O-N 3.14Å; G469-D473 PolarHBondContact O-N 2.89Å |
| 470 | D | 91.4 | Very high | 86.1 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 179.9 | -68.1 | -26.6 | 0 | 0 | 0 | 112.2 | L435 M467 D473 L474 | L435-D470 HydrophobicContact CD2-CB 4.28Å; M467-D470 PolarHBondContact O-N 2.92Å; D470-D473 PolarHBondContact O-N 3.49Å; D470-L474 WeakPolarHBondContact O-CB 3.49Å; D470-L474 WeakPolarHBondContact O-CG 3.28Å; D470-L474 PolarHBondContact O-N 3.47Å |
| 471 | L | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 178.1 | -69.5 | 172 | 0 | 0 | 0 | 112.3 | L435 L438 L453 M467 L468 G469 Y475 L493 V496 I497 A500 | L435-L471 HydrophobicContact CD2-CD2 4.26Å; L435-L471 HydrophobicContact CD2-CG 4.38Å; L438-L471 HydrophobicContact CD1-CD2 4.15Å; L453-L471 HydrophobicContact CD1-CD2 4.42Å; M467-L471 HydrophobicContact CB-CD1 4.17Å; M467-L471 HydrophobicContact CG-CD1 3.77Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.49Å; M467-L471 PolarHBondContact O-N 2.91Å; M467-L471 VanDerWaalsContact O-N 3.14Å; M467-L471 HydrophobicContact SD-CD1 3.88Å; L468-L471 PolarHBondContact O-N 3.42Å; G469-L471 VanDerWaalsContact C-N 3.29Å; G469-L471 PolarHBondContact O-N 2.96Å; L471-Y475 WeakPolarHBondContact O-CB 3.22Å; L471-Y475 PolarHBondContact O-N 2.97Å; L471-L493 HydrophobicContact CD2-CD2 4.41Å; L471-V496 HydrophobicContact CD1-CB 4.39Å; L471-V496 HydrophobicContact CD1-CG1 3.9Å; L471-V496 HydrophobicContact CD1-CG2 3.8Å; L471-V496 HydrophobicContact CD2-CG1 3.67Å; L471-V496 HydrophobicContact CG-CG1 4.35Å; L471-I497 HydrophobicContact CB-CD1 4.44Å; L471-I497 HydrophobicContact CB-CG1 3.8Å; L471-A500 HydrophobicContact CD1-CB 4.43Å |
| 472 | V | 92.9 | Very high | 85.1 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L468 G469 Y475 R476 I497 V509 V512 | L468-V472 HydrophobicContact CD1-CG2 4.18Å; L468-V472 HydrophobicContact CG-CG2 4.43Å; L468-V472 WeakPolarHBondContact O-CG2 3.18Å; L468-V472 PolarHBondContact O-N 3.29Å; G469-V472 PolarHBondContact O-N 3.32Å; G469-V472 VanDerWaalsContact O-N 3.14Å; V472-Y475 WeakPolarHBondContact O-CB 3.14Å; V472-Y475 PolarHBondContact O-N 3.44Å; V472-R476 PolarHBondContact O-N 2.86Å; V472-I497 HydrophobicContact CG2-CD1 4.34Å; V472-V509 HydrophobicContact CG1-CG2 4.41Å; V472-V509 HydrophobicContact CG2-CG1 4.06Å; V472-V509 HydrophobicContact CG2-CG2 3.75Å; V472-V512 HydrophobicContact CG1-CG1 4.31Å; V472-V512 HydrophobicContact CG1-CG2 4.4Å |
| 473 | D | 91.3 | Very high | 85.1 | Confident | 74 Ų | 74 | 49 Ų | 49 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.2 | -76.7 | -22.7 | 0 | 0 | 0 | 111.6 | G469 D470 Y475 R476 V477 | G469-D473 PolarHBondContact O-N 2.89Å; D470-D473 PolarHBondContact O-N 3.49Å; D473-Y475 PolarHBondContact O-N 3.23Å; D473-R476 WeakPolarHBondContact O-CB 3.24Å; D473-R476 PolarHBondContact O-N 3.3Å; D473-R476 IonicContact OD1-CZ 3.98Å; D473-R476 IonicContact OD1-NH1 2.79Å; D473-R476 PolarHBondContact OD1-NH1 2.99Å; D473-R476 IonicContact OD1-NH2 3.65Å; D473-V477 PolarHBondContact O-N 2.65Å |
| 474 | L | 91 | Very high | 85 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 170.9 | -83.1 | 165.8 | 0 | 0 | 0 | 112.2 | L438 D470 R476 V477 A478 L493 | L438-L474 HydrophobicContact CB-CD1 3.62Å; L438-L474 HydrophobicContact CD1-CD1 3.82Å; L438-L474 HydrophobicContact CG-CD1 4.35Å; D470-L474 WeakPolarHBondContact O-CB 3.49Å; D470-L474 WeakPolarHBondContact O-CG 3.28Å; D470-L474 PolarHBondContact O-N 3.47Å; L474-R476 VanDerWaalsContact C-N 3.28Å; L474-R476 PolarHBondContact O-N 3.32Å; L474-V477 VanDerWaalsContact O-CG2 3.29Å; L474-V477 WeakPolarHBondContact O-CG2 3.48Å; L474-V477 PolarHBondContact O-N 2.76Å; L474-A478 VanDerWaalsContact O-CB 3.26Å; L474-A478 WeakPolarHBondContact O-CB 3.21Å; L474-A478 PolarHBondContact O-N 3.23Å; L474-L493 HydrophobicContact CB-CD2 4.38Å |
| 475 | Y | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.7 | -158.5 | -84.5 | 0 | 0 | 0 | 111.8 | L471 V472 D473 V477 A478 L490 L493 A494 I497 V512 I513 Q516 | L471-Y475 WeakPolarHBondContact O-CB 3.22Å; L471-Y475 PolarHBondContact O-N 2.97Å; V472-Y475 WeakPolarHBondContact O-CB 3.14Å; V472-Y475 PolarHBondContact O-N 3.44Å; D473-Y475 PolarHBondContact O-N 3.23Å; Y475-V477 PolarHBondContact O-N 3.26Å; Y475-A478 PolarHBondContact O-N 2.91Å; Y475-L490 HydrophobicContact CE1-CD2 4.24Å; Y475-L490 HydrophobicContact CE2-CD2 4.08Å; Y475-L490 WeakPolarHBondContact CE2-O 3.48Å; Y475-L493 HydrophobicContact CD2-CB 3.62Å; Y475-L493 HydrophobicContact CD2-CD1 4.33Å; Y475-L493 HydrophobicContact CE2-CB 4.07Å; Y475-A494 HydrophobicContact CE2-CB 3.9Å; Y475-I497 HydrophobicContact CD2-CD1 3.87Å; Y475-I497 HydrophobicContact CG-CD1 4.16Å; Y475-V512 HydrophobicContact CD1-CG1 4.27Å; Y475-I513 HydrophobicContact CD1-CG1 4.08Å; Y475-I513 HydrophobicContact CE1-CB 4.04Å; Y475-I513 HydrophobicContact CE1-CG1 3.88Å; Y475-I513 HydrophobicContact CE1-CG2 4.03Å; Y475-Q516 HydrophobicContact CD1-CB 4.23Å; Y475-Q516 HydrophobicContact CD1-CG 4.05Å; Y475-Q516 HydrophobicContact CE1-CB 3.73Å; Y475-Q516 HydrophobicContact CE1-CG 4.08Å |
| 476 | R | 89.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -31.4 | 179.6 | -168.3 | -176.2 | -67.7 | 129.2 | -0.6 | 112.3 | V472 D473 L474 V512 Q516 | V472-R476 PolarHBondContact O-N 2.86Å; D473-R476 WeakPolarHBondContact O-CB 3.24Å; D473-R476 PolarHBondContact O-N 3.3Å; D473-R476 IonicContact OD1-CZ 3.98Å; D473-R476 IonicContact OD1-NH1 2.79Å; D473-R476 PolarHBondContact OD1-NH1 2.99Å; D473-R476 IonicContact OD1-NH2 3.65Å; L474-R476 VanDerWaalsContact C-N 3.28Å; L474-R476 PolarHBondContact O-N 3.32Å; R476-V512 HydrophobicContact CB-CG1 4.13Å; R476-Q516 PolarHBondContact O-NE2 3.08Å |
| 477 | V | 86.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -98.9 | -15.2 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | D473 L474 Y475 G479 H480 | D473-V477 PolarHBondContact O-N 2.65Å; L474-V477 VanDerWaalsContact O-CG2 3.29Å; L474-V477 WeakPolarHBondContact O-CG2 3.48Å; L474-V477 PolarHBondContact O-N 2.76Å; Y475-V477 PolarHBondContact O-N 3.26Å; V477-G479 PolarHBondContact O-N 3.13Å; V477-H480 PolarHBondContact O-NE2 3.3Å |
| 478 | A | 81.3 | Confident | 85.8 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | trans | -74.4 | 84.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L474 Y475 L489 L490 L493 | L474-A478 VanDerWaalsContact O-CB 3.26Å; L474-A478 WeakPolarHBondContact O-CB 3.21Å; L474-A478 PolarHBondContact O-N 3.23Å; Y475-A478 PolarHBondContact O-N 2.91Å; A478-L489 HydrophobicContact CB-CD2 4.46Å; A478-L490 HydrophobicContact CB-CD2 4.46Å; A478-L490 VanDerWaalsContact O-CD2 3.24Å; A478-L490 WeakPolarHBondContact O-CD2 3.48Å; A478-L493 HydrophobicContact CB-CD1 3.63Å | ||
| 479 | G | 67.6 | Low | 86 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | trans | -175.9 | 26.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | V477 V520 | V477-G479 PolarHBondContact O-N 3.13Å; G479-V520 VanDerWaalsContact O-CG2 3.3Å; G479-V520 WeakPolarHBondContact O-CG2 3.17Å | ||
| 480 | H | 71.7 | Confident | 86.3 | Confident | 165 Ų | 165 | 48.5 Ų | 48.5 | 76% | 0.764 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -95.8 | -22.4 | -172 | -56.4 | -45.7 | 0 | 0 | 0 | 116.2 | V477 | V477-H480 PolarHBondContact O-NE2 3.3Š|
| 481 | S | 70 | Confident | 86.5 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | trans | -146.3 | 155.2 | -176.5 | 78.5 | 0 | 0 | 0 | 0 | 114.2 | T483 Q486 V520 | S481-T483 PolarHBondContact O-N 3.1Å; S481-T483 WeakPolarHBondContact OG-CG2 3.19Å; S481-T483 PolarHBondContact OG-OG1 3Å; S481-T483 VanDerWaalsContact OG-OG1 3.08Å; S481-Q486 VanDerWaalsContact CA-OE1 3.26Å; S481-Q486 PolarHBondContact O-NE2 2.89Å; S481-Q486 VanDerWaalsContact O-NE2 3.15Å; S481-Q486 PolarHBondContact O-OE1 3.15Å; S481-Q486 PolarHBondContact OG-OE1 3.47Å; S481-V520 WeakPolarHBondContact O-CG1 3.39Å | ||
| 482 | S | 75.7 | Confident | 86.6 | Confident | 99 Ų | 99 | 45.5 Ų | 45.5 | 69% | 0.692 | 26% | 0.261 | S | S | * | . | trans | -86.6 | 22.9 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 483 | T | 84.9 | Confident | 86.7 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | trans | -67.8 | 151.3 | -177.8 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | S481 E485 Q486 Q487 | S481-T483 PolarHBondContact O-N 3.1Å; S481-T483 WeakPolarHBondContact OG-CG2 3.19Å; S481-T483 PolarHBondContact OG-OG1 3Å; S481-T483 VanDerWaalsContact OG-OG1 3.08Å; T483-E485 VanDerWaalsContact C-N 3.31Å; T483-E485 PolarHBondContact O-N 3.46Å; T483-Q486 PolarHBondContact O-N 3.04Å; T483-Q486 VanDerWaalsContact O-N 3.13Å; T483-Q486 WeakPolarHBondContact OG1-CB 3.33Å; T483-Q487 WeakPolarHBondContact O-CG 3.39Å; T483-Q487 PolarHBondContact O-N 3.41Å | ||
| 484 | G | 83.5 | Confident | 86.9 | Confident | 63 Ų | 63 | 41.6 Ų | 41.6 | 65% | 0.649 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58 | -38.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q487 E488 | G484-Q487 PolarHBondContact O-N 2.94Å; G484-E488 PolarHBondContact O-N 3.16Å; G484-E488 VanDerWaalsContact O-N 3.1Å |
| 485 | E | 84.5 | Confident | 87.1 | Confident | 116 Ų | 116 | 42.1 Ų | 42.1 | 54% | 0.542 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 176.8 | -64.9 | -175.4 | 169.1 | 0 | 0 | 111.9 | T483 E488 L489 | T483-E485 VanDerWaalsContact C-N 3.31Å; T483-E485 PolarHBondContact O-N 3.46Å; E485-E488 WeakPolarHBondContact O-CB 3.3Å; E485-E488 PolarHBondContact O-N 2.95Å; E485-L489 PolarHBondContact O-N 2.68Å |
| 486 | Q | 88.4 | Confident | 87.2 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -35.9 | 177.4 | -166.7 | -179.3 | -32.7 | 0 | 0 | 112.2 | S481 T483 E488 L489 L490 | S481-Q486 VanDerWaalsContact CA-OE1 3.26Å; S481-Q486 PolarHBondContact O-NE2 2.89Å; S481-Q486 VanDerWaalsContact O-NE2 3.15Å; S481-Q486 PolarHBondContact O-OE1 3.15Å; S481-Q486 PolarHBondContact OG-OE1 3.47Å; T483-Q486 PolarHBondContact O-N 3.04Å; T483-Q486 VanDerWaalsContact O-N 3.13Å; T483-Q486 WeakPolarHBondContact OG1-CB 3.33Å; Q486-E488 VanDerWaalsContact C-N 3.29Å; Q486-E488 PolarHBondContact O-N 3.31Å; Q486-L489 PolarHBondContact O-N 2.64Å; Q486-L490 WeakPolarHBondContact O-CG 3.43Å; Q486-L490 PolarHBondContact O-N 3.08Å |
| 487 | Q | 92.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 171.5 | -62.8 | -59 | -61.9 | 0 | 0 | 111.3 | T483 G484 V491 V520 T525 | T483-Q487 WeakPolarHBondContact O-CG 3.39Å; T483-Q487 PolarHBondContact O-N 3.41Å; G484-Q487 PolarHBondContact O-N 2.94Å; Q487-V491 WeakPolarHBondContact O-CG2 3.5Å; Q487-V491 PolarHBondContact O-N 3.22Å; Q487-V520 PolarHBondContact NE2-O 2.88Å; Q487-T525 WeakPolarHBondContact CB-OG1 3.28Å; Q487-T525 VanDerWaalsContact OE1-CB 3.29Å; Q487-T525 PolarHBondContact OE1-OG1 3.03Å |
| 488 | E | 94.1 | Very high | 87.7 | Confident | 58 Ų | 58 | 33 Ų | 33 | 27% | 0.271 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.2 | -168.8 | 63.5 | -154.1 | 0 | 0 | 111.5 | V447 G484 E485 Q486 L490 V491 S492 R528 | V447-E488 HydrophobicContact CG1-CG 3.87Å; V447-E488 HydrophobicContact CG2-CB 4.22Å; V447-E488 HydrophobicContact CG2-CG 3.98Å; G484-E488 PolarHBondContact O-N 3.16Å; G484-E488 VanDerWaalsContact O-N 3.1Å; E485-E488 WeakPolarHBondContact O-CB 3.3Å; E485-E488 PolarHBondContact O-N 2.95Å; Q486-E488 VanDerWaalsContact C-N 3.29Å; Q486-E488 PolarHBondContact O-N 3.31Å; E488-L490 VanDerWaalsContact C-N 3.35Å; E488-L490 PolarHBondContact O-N 2.88Å; E488-V491 WeakPolarHBondContact O-CB 3.22Å; E488-V491 PolarHBondContact O-N 2.75Å; E488-V491 VanDerWaalsContact O-N 3.08Å; E488-S492 PolarHBondContact O-N 2.65Å; E488-S492 PolarHBondContact O-OG 3.32Å; E488-R528 IonicContact OE1-CZ 3.29Å; E488-R528 IonicContact OE1-NH1 3.76Å; E488-R528 IonicContact OE1-NH2 3.9Å; E488-R528 PolarHBondContact OE1-NH2 3.33Å; E488-R528 IonicContact OE2-CZ 2.76Å; E488-R528 IonicContact OE2-NH1 2.8Å; E488-R528 PolarHBondContact OE2-NH1 3.24Å; E488-R528 IonicContact OE2-NH2 2.92Å; E488-R528 PolarHBondContact OE2-NH2 2.92Å |
| 489 | L | 93.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 177.4 | 179.2 | 59.9 | 0 | 0 | 0 | 112.3 | D443 R446 V447 A478 E485 Q486 V491 S492 L493 | D443-L489 HydrophobicContact CB-CD2 4.02Å; D443-L489 WeakPolarHBondContact OD1-CD2 3.43Å; R446-L489 HydrophobicContact CB-CD1 3.52Å; V447-L489 HydrophobicContact CG2-CB 3.97Å; V447-L489 HydrophobicContact CG2-CD1 4.22Å; A478-L489 HydrophobicContact CB-CD2 4.46Å; E485-L489 PolarHBondContact O-N 2.68Å; Q486-L489 PolarHBondContact O-N 2.64Å; L489-V491 VanDerWaalsContact C-N 3.28Å; L489-V491 PolarHBondContact O-N 2.9Å; L489-S492 PolarHBondContact O-N 2.97Å; L489-L493 HydrophobicContact CD1-CD1 3.89Å; L489-L493 HydrophobicContact CD1-CG 3.9Å; L489-L493 HydrophobicContact CD2-CD1 4.49Å; L489-L493 HydrophobicContact CG-CD1 3.85Å; L489-L493 HydrophobicContact CG-CG 4.33Å; L489-L493 WeakPolarHBondContact O-CB 3.42Å; L489-L493 WeakPolarHBondContact O-CG 3.42Å; L489-L493 PolarHBondContact O-N 3.3Å |
| 490 | L | 95.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 174.8 | -75.3 | 175.3 | 0 | 0 | 0 | 111.9 | Y475 A478 Q486 E488 A494 A521 T525 | Y475-L490 HydrophobicContact CE1-CD2 4.24Å; Y475-L490 HydrophobicContact CE2-CD2 4.08Å; Y475-L490 WeakPolarHBondContact CE2-O 3.48Å; A478-L490 HydrophobicContact CB-CD2 4.46Å; A478-L490 VanDerWaalsContact O-CD2 3.24Å; A478-L490 WeakPolarHBondContact O-CD2 3.48Å; Q486-L490 WeakPolarHBondContact O-CG 3.43Å; Q486-L490 PolarHBondContact O-N 3.08Å; E488-L490 VanDerWaalsContact C-N 3.35Å; E488-L490 PolarHBondContact O-N 2.88Å; L490-A494 VanDerWaalsContact O-CB 3.28Å; L490-A494 WeakPolarHBondContact O-CB 3.23Å; L490-A494 PolarHBondContact O-N 3.45Å; L490-A494 VanDerWaalsContact O-N 3.08Å; L490-A521 HydrophobicContact CD1-CB 4.46Å; L490-T525 HydrophobicContact CB-CG2 4.21Å; L490-T525 HydrophobicContact CD1-CG2 4.45Å |
| 491 | V | 95.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -46.1 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | Q487 E488 L489 A494 T495 T525 R528 I529 | Q487-V491 WeakPolarHBondContact O-CG2 3.5Å; Q487-V491 PolarHBondContact O-N 3.22Å; E488-V491 WeakPolarHBondContact O-CB 3.22Å; E488-V491 PolarHBondContact O-N 2.75Å; E488-V491 VanDerWaalsContact O-N 3.08Å; L489-V491 VanDerWaalsContact C-N 3.28Å; L489-V491 PolarHBondContact O-N 2.9Å; V491-A494 PolarHBondContact O-N 2.88Å; V491-T495 WeakPolarHBondContact O-CB 3.47Å; V491-T495 PolarHBondContact O-N 3.5Å; V491-T495 PolarHBondContact O-OG1 3.25Å; V491-T525 HydrophobicContact CG2-CG2 3.96Å; V491-R528 HydrophobicContact CG1-CB 4.13Å; V491-R528 HydrophobicContact CG2-CB 3.95Å; V491-I529 HydrophobicContact CB-CG1 4.47Å; V491-I529 HydrophobicContact CG2-CD1 4.47Å; V491-I529 HydrophobicContact CG2-CG1 4.11Å |
| 492 | S | 96.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | -177.5 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | H451 E488 L489 T495 V496 | H451-S492 PolarHBondContact NE2-OG 2.83Å; H451-S492 VanDerWaalsContact NE2-OG 3.08Å; E488-S492 PolarHBondContact O-N 2.65Å; E488-S492 PolarHBondContact O-OG 3.32Å; L489-S492 PolarHBondContact O-N 2.97Å; S492-T495 WeakPolarHBondContact O-CB 3.45Å; S492-T495 PolarHBondContact O-N 3.37Å; S492-V496 PolarHBondContact O-N 2.98Å |
| 493 | L | 95.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -47.3 | 175.4 | -73.6 | 167.8 | 0 | 0 | 0 | 111.6 | C450 L471 L474 Y475 A478 L489 T495 V496 I497 | C450-L493 VanDerWaalsContact SG-CD2 3.54Å; L471-L493 HydrophobicContact CD2-CD2 4.41Å; L474-L493 HydrophobicContact CB-CD2 4.38Å; Y475-L493 HydrophobicContact CD2-CB 3.62Å; Y475-L493 HydrophobicContact CD2-CD1 4.33Å; Y475-L493 HydrophobicContact CE2-CB 4.07Å; A478-L493 HydrophobicContact CB-CD1 3.63Å; L489-L493 HydrophobicContact CD1-CD1 3.89Å; L489-L493 HydrophobicContact CD1-CG 3.9Å; L489-L493 HydrophobicContact CD2-CD1 4.49Å; L489-L493 HydrophobicContact CG-CD1 3.85Å; L489-L493 HydrophobicContact CG-CG 4.33Å; L489-L493 WeakPolarHBondContact O-CB 3.42Å; L489-L493 WeakPolarHBondContact O-CG 3.42Å; L489-L493 PolarHBondContact O-N 3.3Å; L493-T495 VanDerWaalsContact C-N 3.25Å; L493-T495 PolarHBondContact O-N 3.34Å; L493-V496 WeakPolarHBondContact O-CG1 3.41Å; L493-V496 PolarHBondContact O-N 2.99Å; L493-I497 VanDerWaalsContact O-CG1 3.27Å; L493-I497 WeakPolarHBondContact O-CG1 3.39Å; L493-I497 PolarHBondContact O-N 3.22Å |
| 494 | A | 95.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y475 L490 V491 I497 F498 I529 | Y475-A494 HydrophobicContact CE2-CB 3.9Å; L490-A494 VanDerWaalsContact O-CB 3.28Å; L490-A494 WeakPolarHBondContact O-CB 3.23Å; L490-A494 PolarHBondContact O-N 3.45Å; L490-A494 VanDerWaalsContact O-N 3.08Å; V491-A494 PolarHBondContact O-N 2.88Å; A494-I497 PolarHBondContact O-N 3.28Å; A494-F498 HydrophobicContact CB-CE2 4.08Å; A494-F498 HydrophobicContact CB-CZ 4.2Å; A494-F498 WeakPolarHBondContact O-CD2 3.32Å; A494-F498 WeakPolarHBondContact O-CG 3.33Å; A494-F498 PolarHBondContact O-N 3.13Å; A494-I529 HydrophobicContact CB-CD1 4.05Å; A494-I529 HydrophobicContact CB-CG1 3.92Å; A494-I529 HydrophobicContact CB-CG2 3.91Å |
| 495 | T | 94.8 | Very high | 88.2 | Confident | 21 Ų | 21 | 21.9 Ų | 21.9 | 13% | 0.129 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 178 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | V491 S492 L493 F498 V499 Q532 | V491-T495 WeakPolarHBondContact O-CB 3.47Å; V491-T495 PolarHBondContact O-N 3.5Å; V491-T495 PolarHBondContact O-OG1 3.25Å; S492-T495 WeakPolarHBondContact O-CB 3.45Å; S492-T495 PolarHBondContact O-N 3.37Å; L493-T495 VanDerWaalsContact C-N 3.25Å; L493-T495 PolarHBondContact O-N 3.34Å; T495-F498 PolarHBondContact O-N 3.44Å; T495-V499 WeakPolarHBondContact O-CG2 3.41Å; T495-V499 PolarHBondContact O-N 2.87Å; T495-Q532 HydrophobicContact CG2-CG 4.34Å; T495-Q532 WeakPolarHBondContact OG1-CG 3.41Å |
| 496 | V | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.8 | -34.7 | 178.7 | 64.6 | 0 | 0 | 0 | 0 | 111.8 | C450 L453 A454 M467 L471 S492 L493 F498 V499 A500 | C450-V496 HydrophobicContact CB-CG1 4.41Å; L453-V496 HydrophobicContact CB-CG2 3.79Å; A454-V496 HydrophobicContact CB-CB 4.29Å; A454-V496 HydrophobicContact CB-CG2 4.39Å; M467-V496 HydrophobicContact SD-CG2 4.21Å; L471-V496 HydrophobicContact CD1-CB 4.39Å; L471-V496 HydrophobicContact CD1-CG1 3.9Å; L471-V496 HydrophobicContact CD1-CG2 3.8Å; L471-V496 HydrophobicContact CD2-CG1 3.67Å; L471-V496 HydrophobicContact CG-CG1 4.35Å; S492-V496 PolarHBondContact O-N 2.98Å; L493-V496 WeakPolarHBondContact O-CG1 3.41Å; L493-V496 PolarHBondContact O-N 2.99Å; V496-F498 VanDerWaalsContact C-N 3.34Å; V496-F498 PolarHBondContact O-N 3.48Å; V496-V499 PolarHBondContact O-N 3.26Å; V496-A500 WeakPolarHBondContact O-CB 3.48Å; V496-A500 PolarHBondContact O-N 3.41Å |
| 497 | I | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 172 | -70.8 | 166.8 | 0 | 0 | 0 | 110.9 | L468 L471 V472 Y475 L493 A494 V499 A500 S501 L505 V509 I513 | L468-I497 HydrophobicContact CD1-CG2 3.94Å; L471-I497 HydrophobicContact CB-CD1 4.44Å; L471-I497 HydrophobicContact CB-CG1 3.8Å; V472-I497 HydrophobicContact CG2-CD1 4.34Å; Y475-I497 HydrophobicContact CD2-CD1 3.87Å; Y475-I497 HydrophobicContact CG-CD1 4.16Å; L493-I497 VanDerWaalsContact O-CG1 3.27Å; L493-I497 WeakPolarHBondContact O-CG1 3.39Å; L493-I497 PolarHBondContact O-N 3.22Å; A494-I497 PolarHBondContact O-N 3.28Å; I497-V499 VanDerWaalsContact C-N 3.32Å; I497-V499 PolarHBondContact O-N 3.43Å; I497-A500 PolarHBondContact O-N 2.71Å; I497-S501 VanDerWaalsContact O-CB 3.27Å; I497-S501 WeakPolarHBondContact O-CB 3.4Å; I497-S501 PolarHBondContact O-N 2.86Å; I497-L505 HydrophobicContact CG2-CD2 3.91Å; I497-V509 HydrophobicContact CG2-CG1 3.91Å; I497-I513 HydrophobicContact CG2-CD1 4.32Å |
| 498 | F | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.4 | -31.4 | 177.4 | -58.1 | -32.6 | 0 | 0 | 0 | 113.2 | A494 T495 V496 L505 I513 I529 Q532 A533 M536 F541 | A494-F498 HydrophobicContact CB-CE2 4.08Å; A494-F498 HydrophobicContact CB-CZ 4.2Å; A494-F498 WeakPolarHBondContact O-CD2 3.32Å; A494-F498 WeakPolarHBondContact O-CG 3.33Å; A494-F498 PolarHBondContact O-N 3.13Å; T495-F498 PolarHBondContact O-N 3.44Å; V496-F498 VanDerWaalsContact C-N 3.34Å; V496-F498 PolarHBondContact O-N 3.48Å; F498-L505 HydrophobicContact CD1-CD1 3.67Å; F498-L505 HydrophobicContact CD1-CD2 4.06Å; F498-L505 HydrophobicContact CD1-CG 4.35Å; F498-L505 HydrophobicContact CE1-CD1 3.49Å; F498-L505 VanDerWaalsContact CE1-CD1 3.49Å; F498-L505 HydrophobicContact CE1-CD2 4.36Å; F498-I513 HydrophobicContact CE1-CD1 4.05Å; F498-I513 HydrophobicContact CZ-CD1 4.46Å; F498-I529 HydrophobicContact CE2-CG2 3.79Å; F498-I529 WeakPolarHBondContact CE2-O 3.48Å; F498-I529 HydrophobicContact CZ-CG2 3.72Å; F498-Q532 HydrophobicContact CD2-CB 3.98Å; F498-Q532 HydrophobicContact CE2-CB 4.25Å; F498-A533 HydrophobicContact CD2-CB 4.12Å; F498-A533 HydrophobicContact CE1-CB 4.36Å; F498-A533 HydrophobicContact CE2-CB 3.73Å; F498-A533 HydrophobicContact CZ-CB 3.87Å; F498-M536 HydrophobicContact CB-CB 3.92Å; F498-M536 HydrophobicContact CB-CG 3.75Å; F498-F541 AromaticContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CE1 4.1Å; F498-F541 AromaticContact CZ-CD1 3.89Å; F498-F541 HydrophobicContact CZ-CD1 3.89Å; F498-F541 AromaticContact CZ-CE1 3.91Å; F498-F541 HydrophobicContact CZ-CE1 3.91Å |
| 499 | V | 90.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.9 | -39.5 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | A454 A457 T495 V496 I497 Q502 M536 | A454-V499 HydrophobicContact CB-CG2 4.38Å; A457-V499 HydrophobicContact CB-CG1 3.77Å; T495-V499 WeakPolarHBondContact O-CG2 3.41Å; T495-V499 PolarHBondContact O-N 2.87Å; V496-V499 PolarHBondContact O-N 3.26Å; I497-V499 VanDerWaalsContact C-N 3.32Å; I497-V499 PolarHBondContact O-N 3.43Å; V499-Q502 PolarHBondContact O-NE2 3.41Å; V499-M536 HydrophobicContact CB-CE 4.19Å; V499-M536 HydrophobicContact CG1-CE 4.48Å; V499-M536 HydrophobicContact CG2-CE 3.79Å; V499-M536 HydrophobicContact CG2-CG 4.33Å; V499-M536 HydrophobicContact CG2-SD 3.8Å |
| 500 | A | 89.3 | Confident | 88 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | M467 L468 L471 V496 I497 Q502 | M467-A500 HydrophobicContact CG-CB 4.04Å; M467-A500 HydrophobicContact SD-CB 4.32Å; L468-A500 HydrophobicContact CD1-CB 4.31Å; L471-A500 HydrophobicContact CD1-CB 4.43Å; V496-A500 WeakPolarHBondContact O-CB 3.48Å; V496-A500 PolarHBondContact O-N 3.41Å; I497-A500 PolarHBondContact O-N 2.71Å; A500-Q502 PolarHBondContact O-N 3.36Å |
| 501 | S | 84.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79.5 | 93.9 | 179.7 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | I497 S503 S504 | I497-S501 VanDerWaalsContact O-CB 3.27Å; I497-S501 WeakPolarHBondContact O-CB 3.4Å; I497-S501 PolarHBondContact O-N 2.86Å; S501-S503 VanDerWaalsContact C-N 3.32Å; S501-S503 PolarHBondContact O-N 2.94Å; S501-S503 VanDerWaalsContact O-N 3.13Å; S501-S504 PolarHBondContact OG-O 3.41Å |
| 502 | Q | 66.1 | Low | 87.7 | Confident | 45 Ų | 45 | 31 Ų | 31 | 21% | 0.21 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -61.7 | -19.5 | -171 | -65.7 | -72.3 | -76.4 | 0 | 0 | 115.8 | V499 A500 E743 R747 | V499-Q502 PolarHBondContact O-NE2 3.41Å; A500-Q502 PolarHBondContact O-N 3.36Å; Q502-E743 VanDerWaalsContact CD-OE1 3.22Å; Q502-E743 VanDerWaalsContact NE2-CD 3.31Å; Q502-E743 PolarHBondContact NE2-OE2 3.49Å; Q502-E743 VanDerWaalsContact O-OE1 3.06Å; Q502-E743 PolarHBondContact OE1-OE1 3.49Å; Q502-E743 PolarHBondContact OE1-OE2 2.93Å; Q502-R747 PolarHBondContact O-NH1 3.34Å; Q502-R747 VanDerWaalsContact O-NH1 3.11Å; Q502-R747 PolarHBondContact O-NH2 3.16Å |
| 503 | S | 59.7 | Low | 87.5 | Confident | 81 Ų | 81 | 31 Ų | 31 | 57% | 0.566 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -153.5 | -30.1 | -177 | 47.9 | 0 | 0 | 0 | 0 | 116.7 | S501 | S501-S503 VanDerWaalsContact C-N 3.32Å; S501-S503 PolarHBondContact O-N 2.94Å; S501-S503 VanDerWaalsContact O-N 3.13Å |
| 504 | S | 71.1 | Confident | 87.4 | Confident | 83 Ų | 83 | 33.5 Ų | 33.5 | 58% | 0.58 | 20% | 0.2 | S | C | * | . | trans | -160 | 133.8 | 178 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | S501 | S501-S504 PolarHBondContact OG-O 3.41Š| ||
| 505 | L | 84.1 | Confident | 87.1 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -73.9 | 133.5 | 174.4 | -66.5 | 156 | 0 | 0 | 0 | 109 | I497 F498 V509 K510 C538 F541 | I497-L505 HydrophobicContact CG2-CD2 3.91Å; F498-L505 HydrophobicContact CD1-CD1 3.67Å; F498-L505 HydrophobicContact CD1-CD2 4.06Å; F498-L505 HydrophobicContact CD1-CG 4.35Å; F498-L505 HydrophobicContact CE1-CD1 3.49Å; F498-L505 VanDerWaalsContact CE1-CD1 3.49Å; F498-L505 HydrophobicContact CE1-CD2 4.36Å; L505-V509 HydrophobicContact CD2-CG1 3.76Å; L505-K510 HydrophobicContact CB-CD 4.45Å; L505-K510 HydrophobicContact CB-CG 3.82Å; L505-K510 WeakPolarHBondContact O-CE 3.39Å; L505-K510 PolarHBondContact O-NZ 2.94Å; L505-C538 HydrophobicContact CD1-CB 4.2Å; L505-F541 HydrophobicContact CD1-CB 4.08Å; L505-F541 HydrophobicContact CD1-CD1 3.99Å; L505-F541 HydrophobicContact CD1-CG 4.15Å | ||
| 506 | S | 88.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | trans | -61.6 | 154.9 | 171.1 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | E508 V509 K510 | S506-E508 PolarHBondContact O-N 2.92Å; S506-V509 PolarHBondContact O-N 3.1Å; S506-V509 VanDerWaalsContact OG-CG2 3.32Å; S506-V509 WeakPolarHBondContact OG-CG2 3.37Å; S506-V509 PolarHBondContact OG-N 2.85Å; S506-K510 WeakPolarHBondContact O-CG 3.31Å; S506-K510 PolarHBondContact O-N 3.14Å | ||
| 507 | S | 88 | Confident | 86.7 | Confident | 95 Ų | 95 | 39.1 Ų | 39.1 | 66% | 0.664 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.4 | -35.2 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | T511 | S507-T511 WeakPolarHBondContact O-CB 3.24Å; S507-T511 PolarHBondContact O-N 3.35Å; S507-T511 PolarHBondContact O-OG1 3.36Å |
| 508 | E | 89.2 | Confident | 86.4 | Confident | 122 Ų | 122 | 46.5 Ų | 46.5 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.7 | -51.8 | 174.9 | -175.6 | 177.5 | -175.3 | 0 | 0 | 111.5 | S506 K510 T511 V512 | S506-E508 PolarHBondContact O-N 2.92Å; E508-K510 VanDerWaalsContact C-N 3.34Å; E508-K510 PolarHBondContact O-N 2.89Å; E508-T511 WeakPolarHBondContact O-CB 3.37Å; E508-T511 PolarHBondContact O-N 3.33Å; E508-T511 VanDerWaalsContact O-N 3.09Å; E508-V512 WeakPolarHBondContact O-CG2 3.29Å; E508-V512 PolarHBondContact O-N 2.89Å |
| 509 | V | 91.1 | Very high | 86 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -43 | -180 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | V472 I497 L505 S506 T511 V512 I513 | V472-V509 HydrophobicContact CG1-CG2 4.41Å; V472-V509 HydrophobicContact CG2-CG1 4.06Å; V472-V509 HydrophobicContact CG2-CG2 3.75Å; I497-V509 HydrophobicContact CG2-CG1 3.91Å; L505-V509 HydrophobicContact CD2-CG1 3.76Å; S506-V509 PolarHBondContact O-N 3.1Å; S506-V509 VanDerWaalsContact OG-CG2 3.32Å; S506-V509 WeakPolarHBondContact OG-CG2 3.37Å; S506-V509 PolarHBondContact OG-N 2.85Å; V509-T511 VanDerWaalsContact C-N 3.26Å; V509-T511 PolarHBondContact O-N 3.4Å; V509-V512 PolarHBondContact O-N 2.93Å; V509-I513 HydrophobicContact CG1-CD1 4.04Å; V509-I513 WeakPolarHBondContact O-CG1 3.29Å; V509-I513 PolarHBondContact O-N 3.36Å |
| 510 | K | 92.4 | Very high | 85.8 | Confident | 24 Ų | 24 | 53 Ų | 53 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 175 | -69.5 | 171.9 | 179.5 | 162 | 0 | 111.6 | L505 S506 E508 K514 E540 F541 | L505-K510 HydrophobicContact CB-CD 4.45Å; L505-K510 HydrophobicContact CB-CG 3.82Å; L505-K510 WeakPolarHBondContact O-CE 3.39Å; L505-K510 PolarHBondContact O-NZ 2.94Å; S506-K510 WeakPolarHBondContact O-CG 3.31Å; S506-K510 PolarHBondContact O-N 3.14Å; E508-K510 VanDerWaalsContact C-N 3.34Å; E508-K510 PolarHBondContact O-N 2.89Å; K510-K514 WeakPolarHBondContact O-CB 3.38Å; K510-K514 WeakPolarHBondContact O-CG 3.41Å; K510-K514 PolarHBondContact O-N 2.91Å; K510-E540 IonicContact NZ-OE1 3.15Å; K510-E540 PolarHBondContact NZ-OE1 3.2Å; K510-E540 IonicContact NZ-OE2 2.73Å; K510-E540 PolarHBondContact NZ-OE2 3.41Å; K510-F541 HydrophobicContact CB-CD2 4.08Å; K510-F541 HydrophobicContact CB-CE2 3.99Å; K510-F541 HydrophobicContact CD-CD2 4.38Å; K510-F541 HydrophobicContact CG-CD2 3.81Å; K510-F541 HydrophobicContact CG-CE2 4.19Å; K510-F541 HydrophobicContact CG-CG 4.36Å |
| 511 | T | 91.9 | Very high | 85.8 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.4 | -43.9 | -178.5 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | S507 E508 V509 I513 K514 Q515 | S507-T511 WeakPolarHBondContact O-CB 3.24Å; S507-T511 PolarHBondContact O-N 3.35Å; S507-T511 PolarHBondContact O-OG1 3.36Å; E508-T511 WeakPolarHBondContact O-CB 3.37Å; E508-T511 PolarHBondContact O-N 3.33Å; E508-T511 VanDerWaalsContact O-N 3.09Å; V509-T511 VanDerWaalsContact C-N 3.26Å; V509-T511 PolarHBondContact O-N 3.4Å; T511-I513 VanDerWaalsContact C-N 3.33Å; T511-I513 PolarHBondContact O-N 3.4Å; T511-K514 PolarHBondContact O-N 3.02Å; T511-Q515 HydrophobicContact CG2-CG 4.38Å; T511-Q515 WeakPolarHBondContact O-CB 3.37Å; T511-Q515 VanDerWaalsContact O-CG 3.31Å; T511-Q515 WeakPolarHBondContact O-CG 3.36Å; T511-Q515 PolarHBondContact O-N 3.27Å |
| 512 | V | 92.3 | Very high | 86.1 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | V472 Y475 R476 E508 V509 Q516 | V472-V512 HydrophobicContact CG1-CG1 4.31Å; V472-V512 HydrophobicContact CG1-CG2 4.4Å; Y475-V512 HydrophobicContact CD1-CG1 4.27Å; R476-V512 HydrophobicContact CB-CG1 4.13Å; E508-V512 WeakPolarHBondContact O-CG2 3.29Å; E508-V512 PolarHBondContact O-N 2.89Å; V509-V512 PolarHBondContact O-N 2.93Å; V512-Q516 PolarHBondContact O-N 3.33Å |
| 513 | I | 92.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 179.3 | -64.4 | 172.7 | 0 | 0 | 0 | 110.7 | Y475 I497 F498 V509 T511 Q515 Q516 L517 F541 | Y475-I513 HydrophobicContact CD1-CG1 4.08Å; Y475-I513 HydrophobicContact CE1-CB 4.04Å; Y475-I513 HydrophobicContact CE1-CG1 3.88Å; Y475-I513 HydrophobicContact CE1-CG2 4.03Å; I497-I513 HydrophobicContact CG2-CD1 4.32Å; F498-I513 HydrophobicContact CE1-CD1 4.05Å; F498-I513 HydrophobicContact CZ-CD1 4.46Å; V509-I513 HydrophobicContact CG1-CD1 4.04Å; V509-I513 WeakPolarHBondContact O-CG1 3.29Å; V509-I513 PolarHBondContact O-N 3.36Å; T511-I513 VanDerWaalsContact C-N 3.33Å; T511-I513 PolarHBondContact O-N 3.4Å; I513-Q515 PolarHBondContact O-N 2.97Å; I513-Q516 PolarHBondContact O-N 3.35Å; I513-L517 HydrophobicContact CG2-CD1 3.81Å; I513-L517 HydrophobicContact CG2-CG 4.14Å; I513-L517 VanDerWaalsContact O-CG 3.3Å; I513-L517 WeakPolarHBondContact O-CG 3.48Å; I513-L517 PolarHBondContact O-N 3.19Å; I513-F541 HydrophobicContact CB-CE1 4.29Å; I513-F541 HydrophobicContact CB-CZ 3.84Å; I513-F541 HydrophobicContact CD1-CE1 4.29Å; I513-F541 HydrophobicContact CG2-CE1 3.8Å; I513-F541 HydrophobicContact CG2-CZ 3.59Å |
| 514 | K | 91.6 | Very high | 89.1 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57 | -47.7 | -179.9 | -78 | 176.8 | -179.9 | 176.3 | 0 | 112.8 | K510 T511 Q516 L517 E518 F541 E544 | K510-K514 WeakPolarHBondContact O-CB 3.38Å; K510-K514 WeakPolarHBondContact O-CG 3.41Å; K510-K514 PolarHBondContact O-N 2.91Å; T511-K514 PolarHBondContact O-N 3.02Å; K514-Q516 VanDerWaalsContact C-N 3.3Å; K514-Q516 PolarHBondContact O-N 2.93Å; K514-L517 PolarHBondContact O-N 2.97Å; K514-L517 VanDerWaalsContact O-N 3.15Å; K514-E518 WeakPolarHBondContact O-CG 3.43Å; K514-E518 PolarHBondContact O-N 3.45Å; K514-F541 HydrophobicContact CD-CE2 4.29Å; K514-F541 HydrophobicContact CG-CE2 3.84Å; K514-F541 HydrophobicContact CG-CZ 4.24Å; K514-E544 WeakPolarHBondContact CE-OE2 3.46Å; K514-E544 IonicContact NZ-OE1 2.69Å; K514-E544 PolarHBondContact NZ-OE1 3.4Å; K514-E544 IonicContact NZ-OE2 3.04Å; K514-E544 PolarHBondContact NZ-OE2 2.79Å |
| 515 | Q | 90.3 | Very high | 90.2 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | -179.1 | -74.8 | 176 | -6.6 | 0 | 0 | 111.6 | T511 I513 E518 N519 | T511-Q515 HydrophobicContact CG2-CG 4.38Å; T511-Q515 WeakPolarHBondContact O-CB 3.37Å; T511-Q515 VanDerWaalsContact O-CG 3.31Å; T511-Q515 WeakPolarHBondContact O-CG 3.36Å; T511-Q515 PolarHBondContact O-N 3.27Å; I513-Q515 PolarHBondContact O-N 2.97Å; Q515-E518 PolarHBondContact O-N 3.02Å; Q515-N519 PolarHBondContact O-N 3.21Å; Q515-N519 PolarHBondContact O-ND2 2.93Å; Q515-N519 VanDerWaalsContact O-ND2 3.08Å |
| 516 | Q | 89.8 | Confident | 90.8 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 177.9 | -68.3 | -59 | -20.6 | 0 | 0 | 113.1 | Y475 R476 V512 I513 K514 N519 V520 | Y475-Q516 HydrophobicContact CD1-CB 4.23Å; Y475-Q516 HydrophobicContact CD1-CG 4.05Å; Y475-Q516 HydrophobicContact CE1-CB 3.73Å; Y475-Q516 HydrophobicContact CE1-CG 4.08Å; R476-Q516 PolarHBondContact O-NE2 3.08Å; V512-Q516 PolarHBondContact O-N 3.33Å; I513-Q516 PolarHBondContact O-N 3.35Å; K514-Q516 VanDerWaalsContact C-N 3.3Å; K514-Q516 PolarHBondContact O-N 2.93Å; Q516-N519 PolarHBondContact O-N 3.5Å; Q516-V520 PolarHBondContact O-N 3.48Å |
| 517 | L | 91.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 176.8 | -66.6 | -179 | 0 | 0 | 0 | 112.4 | I513 K514 N519 A521 V526 I529 L545 | I513-L517 HydrophobicContact CG2-CD1 3.81Å; I513-L517 HydrophobicContact CG2-CG 4.14Å; I513-L517 VanDerWaalsContact O-CG 3.3Å; I513-L517 WeakPolarHBondContact O-CG 3.48Å; I513-L517 PolarHBondContact O-N 3.19Å; K514-L517 PolarHBondContact O-N 2.97Å; K514-L517 VanDerWaalsContact O-N 3.15Å; L517-N519 VanDerWaalsContact C-N 3.29Å; L517-N519 PolarHBondContact O-N 2.74Å; L517-A521 HydrophobicContact CB-CB 4.16Å; L517-A521 HydrophobicContact CD2-CB 3.55Å; L517-A521 HydrophobicContact CG-CB 4.47Å; L517-A521 WeakPolarHBondContact O-CB 3.25Å; L517-A521 PolarHBondContact O-N 3.37Å; L517-A521 VanDerWaalsContact O-N 3.16Å; L517-V526 HydrophobicContact CB-CG2 4.28Å; L517-V526 HydrophobicContact CD1-CG2 4.44Å; L517-V526 HydrophobicContact CD2-CG2 4.33Å; L517-I529 HydrophobicContact CD1-CD1 4.42Å; L517-I529 HydrophobicContact CD2-CD1 3.51Å; L517-L545 HydrophobicContact CD1-CD1 4.49Å; L517-L545 HydrophobicContact CD1-CD2 3.87Å |
| 518 | E | 88.1 | Confident | 91.7 | Very high | 155 Ų | 155 | 51.3 Ų | 51.3 | 72% | 0.724 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.1 | -34.1 | 176.9 | -73.1 | 175.2 | -178.9 | 0 | 0 | 112.4 | K514 Q515 | K514-E518 WeakPolarHBondContact O-CG 3.43Å; K514-E518 PolarHBondContact O-N 3.45Å; Q515-E518 PolarHBondContact O-N 3.02Å |
| 519 | N | 84.6 | Confident | 92 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -75 | -46.1 | -176.9 | -68 | -22.8 | 0 | 0 | 0 | 113.3 | Q515 Q516 L517 | Q515-N519 PolarHBondContact O-N 3.21Å; Q515-N519 PolarHBondContact O-ND2 2.93Å; Q515-N519 VanDerWaalsContact O-ND2 3.08Å; Q516-N519 PolarHBondContact O-N 3.5Å; L517-N519 VanDerWaalsContact C-N 3.29Å; L517-N519 PolarHBondContact O-N 2.74Å |
| 520 | V | 86.3 | Confident | 92.3 | Very high | 26 Ų | 26 | 45 Ų | 45 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -133.2 | -17 | -162.2 | -172.8 | 0 | 0 | 0 | 0 | 114.3 | G479 S481 Q487 Q516 | G479-V520 VanDerWaalsContact O-CG2 3.3Å; G479-V520 WeakPolarHBondContact O-CG2 3.17Å; S481-V520 WeakPolarHBondContact O-CG1 3.39Å; Q487-V520 PolarHBondContact NE2-O 2.88Å; Q516-V520 PolarHBondContact O-N 3.48Å |
| 521 | A | 88.5 | Confident | 92.5 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -83 | 136.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L490 L517 T525 V526 | L490-A521 HydrophobicContact CD1-CB 4.46Å; L517-A521 HydrophobicContact CB-CB 4.16Å; L517-A521 HydrophobicContact CD2-CB 3.55Å; L517-A521 HydrophobicContact CG-CB 4.47Å; L517-A521 WeakPolarHBondContact O-CB 3.25Å; L517-A521 PolarHBondContact O-N 3.37Å; L517-A521 VanDerWaalsContact O-N 3.16Å; A521-T525 HydrophobicContact CB-CG2 3.94Å; A521-V526 HydrophobicContact CB-CG2 3.9Å | ||
| 522 | N | 91.5 | Very high | 92.6 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 40% | 0.401 | 21% | 0.208 | S | C | . | . | trans | -79.2 | 165.5 | 168.3 | 71.5 | 39.7 | 0 | 0 | 0 | 111.2 | W524 T525 V526 | N522-W524 PolarHBondContact O-N 2.73Å; N522-W524 WeakPolarHBondContact OD1-CA 3.47Å; N522-W524 WeakPolarHBondContact OD1-CB 3.46Å; N522-W524 PolarHBondContact OD1-N 3.39Å; N522-T525 WeakPolarHBondContact O-CB 3.44Å; N522-T525 PolarHBondContact O-N 2.83Å; N522-T525 VanDerWaalsContact O-N 3.17Å; N522-T525 PolarHBondContact OD1-N 3.23Å; N522-T525 PolarHBondContact OD1-OG1 3.18Å; N522-T525 VanDerWaalsContact OD1-OG1 3.08Å; N522-V526 WeakPolarHBondContact O-CG2 3.43Å; N522-V526 PolarHBondContact O-N 3.47Å; N522-V526 VanDerWaalsContact O-N 3.15Å | ||
| 523 | G | 92.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 42 Ų | 42 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.8 | -30.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y527 | G523-Y527 WeakPolarHBondContact O-CB 3.27Å; G523-Y527 PolarHBondContact O-N 3.02Å |
| 524 | W | 94.4 | Very high | 92.8 | Very high | 150 Ų | 150 | 42 Ų | 42 | 57% | 0.568 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -70.9 | -40.7 | 177.5 | -178.9 | -119.6 | 0 | 0 | 0 | 112.3 | N522 Y527 R528 | N522-W524 PolarHBondContact O-N 2.73Å; N522-W524 WeakPolarHBondContact OD1-CA 3.47Å; N522-W524 WeakPolarHBondContact OD1-CB 3.46Å; N522-W524 PolarHBondContact OD1-N 3.39Å; W524-Y527 AromaticContact CE3-CD1 3.74Å; W524-Y527 HydrophobicContact CE3-CD1 3.74Å; W524-Y527 HydrophobicContact CE3-CE1 4.47Å; W524-Y527 HydrophobicContact CE3-CG 4.49Å; W524-Y527 HydrophobicContact CH2-CD1 4.13Å; W524-Y527 HydrophobicContact CH2-CE1 4.18Å; W524-Y527 AromaticContact CZ3-CD1 3.41Å; W524-Y527 HydrophobicContact CZ3-CD1 3.41Å; W524-Y527 VanDerWaalsContact CZ3-CD1 3.41Å; W524-Y527 AromaticContact CZ3-CE1 3.69Å; W524-Y527 HydrophobicContact CZ3-CE1 3.69Å; W524-Y527 HydrophobicContact CZ3-CG 4.47Å; W524-Y527 PolarHBondContact O-N 3.48Å; W524-R528 HydrophobicContact CD2-CG 4.34Å; W524-R528 HydrophobicContact CZ2-CG 4.23Å; W524-R528 WeakPolarHBondContact O-CG 3.43Å; W524-R528 PolarHBondContact O-N 2.86Å |
| 525 | T | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 173.8 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | Q487 L490 V491 A521 N522 Y527 R528 I529 | Q487-T525 WeakPolarHBondContact CB-OG1 3.28Å; Q487-T525 VanDerWaalsContact OE1-CB 3.29Å; Q487-T525 PolarHBondContact OE1-OG1 3.03Å; L490-T525 HydrophobicContact CB-CG2 4.21Å; L490-T525 HydrophobicContact CD1-CG2 4.45Å; V491-T525 HydrophobicContact CG2-CG2 3.96Å; A521-T525 HydrophobicContact CB-CG2 3.94Å; N522-T525 WeakPolarHBondContact O-CB 3.44Å; N522-T525 PolarHBondContact O-N 2.83Å; N522-T525 VanDerWaalsContact O-N 3.17Å; N522-T525 PolarHBondContact OD1-N 3.23Å; N522-T525 PolarHBondContact OD1-OG1 3.18Å; N522-T525 VanDerWaalsContact OD1-OG1 3.08Å; T525-Y527 VanDerWaalsContact C-N 3.29Å; T525-Y527 PolarHBondContact O-N 2.88Å; T525-R528 PolarHBondContact O-N 3.25Å; T525-I529 HydrophobicContact CG2-CD1 4.05Å; T525-I529 WeakPolarHBondContact O-CG1 3.35Å; T525-I529 PolarHBondContact O-N 2.92Å |
| 526 | V | 96.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 176.8 | -179 | 0 | 0 | 0 | 0 | 110.6 | L517 A521 N522 I529 A530 L545 L549 | L517-V526 HydrophobicContact CB-CG2 4.28Å; L517-V526 HydrophobicContact CD1-CG2 4.44Å; L517-V526 HydrophobicContact CD2-CG2 4.33Å; A521-V526 HydrophobicContact CB-CG2 3.9Å; N522-V526 WeakPolarHBondContact O-CG2 3.43Å; N522-V526 PolarHBondContact O-N 3.47Å; N522-V526 VanDerWaalsContact O-N 3.15Å; V526-I529 PolarHBondContact O-N 2.62Å; V526-A530 WeakPolarHBondContact O-CB 3.25Å; V526-A530 PolarHBondContact O-N 2.61Å; V526-L545 HydrophobicContact CG1-CB 4.32Å; V526-L545 HydrophobicContact CG1-CD2 4.17Å; V526-L549 HydrophobicContact CB-CD1 4.05Å; V526-L549 HydrophobicContact CB-CD2 4.04Å; V526-L549 HydrophobicContact CB-CG 4.26Å; V526-L549 HydrophobicContact CG1-CD1 3.75Å; V526-L549 HydrophobicContact CG1-CD2 4.05Å; V526-L549 HydrophobicContact CG1-CG 3.81Å |
| 527 | Y | 97.1 | Very high | 93 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 11% | 0.106 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.9 | 174.9 | -105.3 | 0 | 0 | 0 | 112 | G523 W524 T525 I529 A530 R531 Y546 W561 L562 L565 | G523-Y527 WeakPolarHBondContact O-CB 3.27Å; G523-Y527 PolarHBondContact O-N 3.02Å; W524-Y527 AromaticContact CE3-CD1 3.74Å; W524-Y527 HydrophobicContact CE3-CD1 3.74Å; W524-Y527 HydrophobicContact CE3-CE1 4.47Å; W524-Y527 HydrophobicContact CE3-CG 4.49Å; W524-Y527 HydrophobicContact CH2-CD1 4.13Å; W524-Y527 HydrophobicContact CH2-CE1 4.18Å; W524-Y527 AromaticContact CZ3-CD1 3.41Å; W524-Y527 HydrophobicContact CZ3-CD1 3.41Å; W524-Y527 VanDerWaalsContact CZ3-CD1 3.41Å; W524-Y527 AromaticContact CZ3-CE1 3.69Å; W524-Y527 HydrophobicContact CZ3-CE1 3.69Å; W524-Y527 HydrophobicContact CZ3-CG 4.47Å; W524-Y527 PolarHBondContact O-N 3.48Å; T525-Y527 VanDerWaalsContact C-N 3.29Å; T525-Y527 PolarHBondContact O-N 2.88Å; Y527-I529 VanDerWaalsContact C-N 3.32Å; Y527-I529 PolarHBondContact O-N 2.71Å; Y527-A530 PolarHBondContact O-N 3.1Å; Y527-R531 WeakPolarHBondContact O-CB 3.33Å; Y527-R531 PolarHBondContact O-N 3.41Å; Y527-Y546 HydrophobicContact CD2-CE1 4.14Å; Y527-Y546 HydrophobicContact CE2-CE1 4.14Å; Y527-W561 AromaticContact CE2-NE1 3.87Å; Y527-W561 AromaticContact CZ-NE1 3.82Å; Y527-W561 PolarHBondContact OH-NE1 2.87Å; Y527-L562 HydrophobicContact CD2-CD2 3.62Å; Y527-L562 HydrophobicContact CE2-CD2 3.68Å; Y527-L565 HydrophobicContact CE2-CD1 3.98Å |
| 528 | R | 97.3 | Very high | 93 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 15% | 0.151 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 177 | -74.6 | 175 | 63.4 | -169.1 | 5.4 | 111.6 | E488 V491 W524 T525 R531 Q532 | E488-R528 IonicContact OE1-CZ 3.29Å; E488-R528 IonicContact OE1-NH1 3.76Å; E488-R528 IonicContact OE1-NH2 3.9Å; E488-R528 PolarHBondContact OE1-NH2 3.33Å; E488-R528 IonicContact OE2-CZ 2.76Å; E488-R528 IonicContact OE2-NH1 2.8Å; E488-R528 PolarHBondContact OE2-NH1 3.24Å; E488-R528 IonicContact OE2-NH2 2.92Å; E488-R528 PolarHBondContact OE2-NH2 2.92Å; V491-R528 HydrophobicContact CG1-CB 4.13Å; V491-R528 HydrophobicContact CG2-CB 3.95Å; W524-R528 HydrophobicContact CD2-CG 4.34Å; W524-R528 HydrophobicContact CZ2-CG 4.23Å; W524-R528 WeakPolarHBondContact O-CG 3.43Å; W524-R528 PolarHBondContact O-N 2.86Å; T525-R528 PolarHBondContact O-N 3.25Å; R528-R531 WeakPolarHBondContact O-CB 3.12Å; R528-R531 PolarHBondContact O-N 3.4Å; R528-Q532 VanDerWaalsContact O-CG 3.29Å; R528-Q532 WeakPolarHBondContact O-CG 3.42Å; R528-Q532 PolarHBondContact O-N 3.17Å |
| 529 | I | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -46.8 | 176.6 | -69.2 | 170.8 | 0 | 0 | 0 | 110.5 | V491 A494 F498 L517 T525 V526 Y527 R531 Q532 A533 L545 | V491-I529 HydrophobicContact CB-CG1 4.47Å; V491-I529 HydrophobicContact CG2-CD1 4.47Å; V491-I529 HydrophobicContact CG2-CG1 4.11Å; A494-I529 HydrophobicContact CB-CD1 4.05Å; A494-I529 HydrophobicContact CB-CG1 3.92Å; A494-I529 HydrophobicContact CB-CG2 3.91Å; F498-I529 HydrophobicContact CE2-CG2 3.79Å; F498-I529 WeakPolarHBondContact CE2-O 3.48Å; F498-I529 HydrophobicContact CZ-CG2 3.72Å; L517-I529 HydrophobicContact CD1-CD1 4.42Å; L517-I529 HydrophobicContact CD2-CD1 3.51Å; T525-I529 HydrophobicContact CG2-CD1 4.05Å; T525-I529 WeakPolarHBondContact O-CG1 3.35Å; T525-I529 PolarHBondContact O-N 2.92Å; V526-I529 PolarHBondContact O-N 2.62Å; Y527-I529 VanDerWaalsContact C-N 3.32Å; Y527-I529 PolarHBondContact O-N 2.71Å; I529-R531 VanDerWaalsContact C-N 3.27Å; I529-R531 PolarHBondContact O-N 3.04Å; I529-Q532 PolarHBondContact O-N 3.1Å; I529-A533 PolarHBondContact O-N 3.02Å; I529-L545 HydrophobicContact CG2-CD1 3.85Å |
| 530 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.2 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V526 Y527 A533 S534 S542 L545 Y546 | V526-A530 WeakPolarHBondContact O-CB 3.25Å; V526-A530 PolarHBondContact O-N 2.61Å; Y527-A530 PolarHBondContact O-N 3.1Å; A530-A533 WeakPolarHBondContact O-CB 3.47Å; A530-A533 PolarHBondContact O-N 3.21Å; A530-S534 PolarHBondContact O-N 3.43Å; A530-S534 PolarHBondContact O-OG 3.45Å; A530-S542 WeakPolarHBondContact O-CB 3.34Å; A530-L545 HydrophobicContact CB-CB 3.6Å; A530-L545 HydrophobicContact CB-CD1 3.96Å; A530-L545 HydrophobicContact CB-CG 4.46Å; A530-Y546 HydrophobicContact CB-CD1 3.78Å; A530-Y546 HydrophobicContact CB-CE1 3.44Å; A530-Y546 VanDerWaalsContact CB-CE1 3.44Å; A530-Y546 HydrophobicContact CB-CE2 4.47Å; A530-Y546 HydrophobicContact CB-CG 4.43Å; A530-Y546 PolarHBondContact O-OH 2.88Å |
| 531 | R | 96.7 | Very high | 94 | Very high | 17 Ų | 17 | 28.7 Ų | 28.7 | 6% | 0.064 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.4 | -178.3 | -177.8 | 68.5 | 177.1 | 3.5 | 112.4 | Y527 R528 I529 S534 R535 Y546 F796 | Y527-R531 WeakPolarHBondContact O-CB 3.33Å; Y527-R531 PolarHBondContact O-N 3.41Å; R528-R531 WeakPolarHBondContact O-CB 3.12Å; R528-R531 PolarHBondContact O-N 3.4Å; I529-R531 VanDerWaalsContact C-N 3.27Å; I529-R531 PolarHBondContact O-N 3.04Å; R531-S534 PolarHBondContact O-N 3.14Å; R531-R535 WeakPolarHBondContact O-CG 2.98Å; R531-R535 PolarHBondContact O-N 2.88Å; R531-Y546 WeakPolarHBondContact CA-OH 3.25Å; R531-Y546 PolarHBondContact N-OH 3.48Å; R531-F796 VanDerWaalsContact CD-CG 3.5Å; R531-F796 HydrophobicContact CG-CB 4.28Å; R531-F796 HydrophobicContact CG-CD1 3.77Å; R531-F796 HydrophobicContact CG-CD2 3.64Å; R531-F796 HydrophobicContact CG-CE1 3.94Å; R531-F796 HydrophobicContact CG-CE2 3.79Å; R531-F796 HydrophobicContact CG-CG 3.63Å; R531-F796 HydrophobicContact CG-CZ 3.95Å |
| 532 | Q | 94.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.2 | -37.9 | 177.8 | -63.6 | -66.3 | 8.1 | 0 | 0 | 111.6 | T495 F498 R528 I529 S534 R535 M536 | T495-Q532 HydrophobicContact CG2-CG 4.34Å; T495-Q532 WeakPolarHBondContact OG1-CG 3.41Å; F498-Q532 HydrophobicContact CD2-CB 3.98Å; F498-Q532 HydrophobicContact CE2-CB 4.25Å; R528-Q532 VanDerWaalsContact O-CG 3.29Å; R528-Q532 WeakPolarHBondContact O-CG 3.42Å; R528-Q532 PolarHBondContact O-N 3.17Å; I529-Q532 PolarHBondContact O-N 3.1Å; Q532-S534 PolarHBondContact O-N 3.07Å; Q532-R535 WeakPolarHBondContact O-CB 3.28Å; Q532-R535 PolarHBondContact O-N 2.86Å; Q532-M536 WeakPolarHBondContact O-CG 3.02Å; Q532-M536 PolarHBondContact O-N 3.46Å |
| 533 | A | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59 | -47 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F498 I529 A530 R535 M536 G537 C538 F541 | F498-A533 HydrophobicContact CD2-CB 4.12Å; F498-A533 HydrophobicContact CE1-CB 4.36Å; F498-A533 HydrophobicContact CE2-CB 3.73Å; F498-A533 HydrophobicContact CZ-CB 3.87Å; I529-A533 PolarHBondContact O-N 3.02Å; A530-A533 WeakPolarHBondContact O-CB 3.47Å; A530-A533 PolarHBondContact O-N 3.21Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 3.48Å; A533-M536 CarbonylContact O-C 3.45Å; A533-M536 PolarHBondContact O-N 2.99Å; A533-G537 PolarHBondContact O-N 3.5Å; A533-G537 VanDerWaalsContact O-N 3.17Å; A533-C538 HydrophobicContact CB-CB 4.01Å; A533-C538 WeakPolarHBondContact O-CB 3.37Å; A533-C538 PolarHBondContact O-N 3.18Å; A533-F541 HydrophobicContact CB-CD1 4.45Å |
| 534 | S | 94.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | 174.5 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | A530 R531 Q532 G537 S542 Y546 | A530-S534 PolarHBondContact O-N 3.43Å; A530-S534 PolarHBondContact O-OG 3.45Å; R531-S534 PolarHBondContact O-N 3.14Å; Q532-S534 PolarHBondContact O-N 3.07Å; S534-G537 PolarHBondContact O-N 3.06Å; S534-S542 WeakPolarHBondContact OG-CB 3.4Å; S534-S542 PolarHBondContact OG-OG 2.66Å; S534-Y546 VanDerWaalsContact OG-CE2 3.31Å; S534-Y546 WeakPolarHBondContact OG-CE2 3.1Å; S534-Y546 PolarHBondContact OG-OH 3.03Å |
| 535 | R | 93.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 19.5 Ų | 19.5 | 25% | 0.253 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 175.2 | -79.3 | -176.7 | 76.7 | -119.7 | -6.9 | 112 | R531 Q532 A533 G537 S790 F791 F796 | R531-R535 WeakPolarHBondContact O-CG 2.98Å; R531-R535 PolarHBondContact O-N 2.88Å; Q532-R535 WeakPolarHBondContact O-CB 3.28Å; Q532-R535 PolarHBondContact O-N 2.86Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 3.48Å; R535-G537 VanDerWaalsContact C-N 3.29Å; R535-G537 PolarHBondContact O-N 3.37Å; R535-S790 WeakPolarHBondContact O-CB 3.33Å; R535-S790 PolarHBondContact O-OG 3.4Å; R535-F791 WeakPolarHBondContact CG-O 3.47Å; R535-F796 HydrophobicContact CG-CE2 4.29Å |
| 536 | M | 90.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 19.4 Ų | 19.4 | 28% | 0.281 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.2 | -179.7 | -60.5 | -51.9 | -54.2 | 0 | 0 | 113.5 | F498 V499 Q532 A533 C538 | F498-M536 HydrophobicContact CB-CB 3.92Å; F498-M536 HydrophobicContact CB-CG 3.75Å; V499-M536 HydrophobicContact CB-CE 4.19Å; V499-M536 HydrophobicContact CG1-CE 4.48Å; V499-M536 HydrophobicContact CG2-CE 3.79Å; V499-M536 HydrophobicContact CG2-CG 4.33Å; V499-M536 HydrophobicContact CG2-SD 3.8Å; Q532-M536 WeakPolarHBondContact O-CG 3.02Å; Q532-M536 PolarHBondContact O-N 3.46Å; A533-M536 CarbonylContact O-C 3.45Å; A533-M536 PolarHBondContact O-N 2.99Å; M536-C538 VanDerWaalsContact C-N 3.33Å; M536-C538 PolarHBondContact O-N 2.9Å |
| 537 | G | 90.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A533 S534 R535 H539 | A533-G537 PolarHBondContact O-N 3.5Å; A533-G537 VanDerWaalsContact O-N 3.17Å; S534-G537 PolarHBondContact O-N 3.06Å; R535-G537 VanDerWaalsContact C-N 3.29Å; R535-G537 PolarHBondContact O-N 3.37Å; G537-H539 PolarHBondContact O-CD2 3.32Å; G537-H539 PolarHBondContact O-N 2.92Å |
| 538 | C | 92.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | trans | -80.2 | 62.1 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | L505 A533 M536 E540 F541 S542 | L505-C538 HydrophobicContact CD1-CB 4.2Å; A533-C538 HydrophobicContact CB-CB 4.01Å; A533-C538 WeakPolarHBondContact O-CB 3.37Å; A533-C538 PolarHBondContact O-N 3.18Å; M536-C538 VanDerWaalsContact C-N 3.33Å; M536-C538 PolarHBondContact O-N 2.9Å; C538-E540 PolarHBondContact O-N 3.38Å; C538-F541 PolarHBondContact O-N 3.2Å; C538-S542 PolarHBondContact O-N 3.23Å; C538-S542 VanDerWaalsContact O-N 3.07Å | ||
| 539 | H | 93.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68 | -36.1 | -167.4 | -64.2 | -65.2 | 0 | 0 | 0 | 115.3 | G537 F541 S542 S543 S569 E572 L789 F791 | G537-H539 PolarHBondContact O-CD2 3.32Å; G537-H539 PolarHBondContact O-N 2.92Å; H539-F541 PolarHBondContact O-N 2.98Å; H539-S542 WeakPolarHBondContact CA-OG 3.28Å; H539-S542 PolarHBondContact O-N 3.32Å; H539-S542 PolarHBondContact O-OG 3.26Å; H539-S542 VanDerWaalsContact O-OG 3.1Å; H539-S543 WeakPolarHBondContact O-CB 3.49Å; H539-S543 PolarHBondContact O-N 3.48Å; H539-S569 WeakPolarHBondContact CB-O 3.44Å; H539-S569 WeakPolarHBondContact O-CB 3.44Å; H539-E572 HydrophobicContact CB-CB 4.17Å; H539-E572 VanDerWaalsContact CD2-CB 3.49Å; H539-E572 WeakPolarHBondContact CD2-CB 3.44Å; H539-L789 PolarHBondContact CE1-O 2.99Å; H539-L789 PolarHBondContact NE2-O 3.01Å; H539-F791 AromaticContact CE1-CD2 3.92Å; H539-F791 AromaticContact CE1-CE2 3.79Å |
| 540 | E | 92.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 26 Ų | 26 | 30% | 0.304 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -56.7 | -51.7 | 175.8 | 179.9 | -171.9 | 162.2 | 0 | 0 | 110.5 | K510 C538 S543 E544 Q573 | K510-E540 IonicContact NZ-OE1 3.15Å; K510-E540 PolarHBondContact NZ-OE1 3.2Å; K510-E540 IonicContact NZ-OE2 2.73Å; K510-E540 PolarHBondContact NZ-OE2 3.41Å; C538-E540 PolarHBondContact O-N 3.38Å; E540-S543 WeakPolarHBondContact O-CB 3.4Å; E540-S543 PolarHBondContact O-N 2.83Å; E540-E544 WeakPolarHBondContact O-CG 3.43Å; E540-E544 PolarHBondContact O-N 3.39Å; E540-Q573 HydrophobicContact CB-CG 4.13Å |
| 541 | F | 94.1 | Very high | 94 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | -179.1 | -166.4 | -123.5 | 0 | 0 | 0 | 112.2 | F498 L505 K510 I513 K514 A533 C538 H539 S543 E544 L545 | F498-F541 AromaticContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CD1 3.91Å; F498-F541 HydrophobicContact CE1-CE1 4.1Å; F498-F541 AromaticContact CZ-CD1 3.89Å; F498-F541 HydrophobicContact CZ-CD1 3.89Å; F498-F541 AromaticContact CZ-CE1 3.91Å; F498-F541 HydrophobicContact CZ-CE1 3.91Å; L505-F541 HydrophobicContact CD1-CB 4.08Å; L505-F541 HydrophobicContact CD1-CD1 3.99Å; L505-F541 HydrophobicContact CD1-CG 4.15Å; K510-F541 HydrophobicContact CB-CD2 4.08Å; K510-F541 HydrophobicContact CB-CE2 3.99Å; K510-F541 HydrophobicContact CD-CD2 4.38Å; K510-F541 HydrophobicContact CG-CD2 3.81Å; K510-F541 HydrophobicContact CG-CE2 4.19Å; K510-F541 HydrophobicContact CG-CG 4.36Å; I513-F541 HydrophobicContact CB-CE1 4.29Å; I513-F541 HydrophobicContact CB-CZ 3.84Å; I513-F541 HydrophobicContact CD1-CE1 4.29Å; I513-F541 HydrophobicContact CG2-CE1 3.8Å; I513-F541 HydrophobicContact CG2-CZ 3.59Å; K514-F541 HydrophobicContact CD-CE2 4.29Å; K514-F541 HydrophobicContact CG-CE2 3.84Å; K514-F541 HydrophobicContact CG-CZ 4.24Å; A533-F541 HydrophobicContact CB-CD1 4.45Å; C538-F541 PolarHBondContact O-N 3.2Å; H539-F541 PolarHBondContact O-N 2.98Å; F541-S543 VanDerWaalsContact C-N 3.3Å; F541-S543 PolarHBondContact O-N 2.94Å; F541-E544 WeakPolarHBondContact CD2-OE2 3.26Å; F541-E544 PolarHBondContact O-N 3.1Å; F541-L545 HydrophobicContact CD1-CD1 3.97Å; F541-L545 HydrophobicContact CD1-CG 4.47Å; F541-L545 HydrophobicContact CE1-CD1 3.67Å; F541-L545 HydrophobicContact CE1-CG 4.24Å; F541-L545 HydrophobicContact CE2-CD2 4.49Å; F541-L545 HydrophobicContact CZ-CD1 4.14Å; F541-L545 HydrophobicContact CZ-CD2 4.17Å; F541-L545 HydrophobicContact CZ-CG 4.29Å; F541-L545 WeakPolarHBondContact O-CG 3.29Å; F541-L545 PolarHBondContact O-N 2.96Å; F541-L545 VanDerWaalsContact O-N 3.11Å |
| 542 | S | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 175.9 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | A530 S534 C538 H539 E544 L545 Y546 S569 | A530-S542 WeakPolarHBondContact O-CB 3.34Å; S534-S542 WeakPolarHBondContact OG-CB 3.4Å; S534-S542 PolarHBondContact OG-OG 2.66Å; C538-S542 PolarHBondContact O-N 3.23Å; C538-S542 VanDerWaalsContact O-N 3.07Å; H539-S542 WeakPolarHBondContact CA-OG 3.28Å; H539-S542 PolarHBondContact O-N 3.32Å; H539-S542 PolarHBondContact O-OG 3.26Å; H539-S542 VanDerWaalsContact O-OG 3.1Å; S542-E544 PolarHBondContact O-N 2.9Å; S542-L545 PolarHBondContact O-N 2.72Å; S542-Y546 WeakPolarHBondContact O-CD2 3.28Å; S542-Y546 VanDerWaalsContact O-CG 3.3Å; S542-Y546 PolarHBondContact O-N 3.19Å; S542-S569 WeakPolarHBondContact OG-CB 3.37Å; S542-S569 PolarHBondContact OG-OG 3Å |
| 543 | S | 95.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.1 | -169.3 | 0 | 0 | 0 | 0 | 112 | H539 E540 F541 L545 Y546 Q547 K566 Q570 | H539-S543 WeakPolarHBondContact O-CB 3.49Å; H539-S543 PolarHBondContact O-N 3.48Å; E540-S543 WeakPolarHBondContact O-CB 3.4Å; E540-S543 PolarHBondContact O-N 2.83Å; F541-S543 VanDerWaalsContact C-N 3.3Å; F541-S543 PolarHBondContact O-N 2.94Å; S543-L545 PolarHBondContact O-N 2.82Å; S543-Y546 PolarHBondContact O-N 3.15Å; S543-Q547 WeakPolarHBondContact O-CB 3.41Å; S543-Q547 PolarHBondContact O-N 3.17Å; S543-K566 PolarHBondContact OG-O 3.43Å; S543-Q570 WeakPolarHBondContact OG-CG 3.43Å |
| 544 | E | 95.2 | Very high | 93.3 | Very high | 63 Ų | 63 | 45 Ų | 45 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -46.2 | 177.2 | -65 | 179.5 | 133.4 | 0 | 0 | 111.6 | K514 E540 F541 S542 Q547 C548 | K514-E544 WeakPolarHBondContact CE-OE2 3.46Å; K514-E544 IonicContact NZ-OE1 2.69Å; K514-E544 PolarHBondContact NZ-OE1 3.4Å; K514-E544 IonicContact NZ-OE2 3.04Å; K514-E544 PolarHBondContact NZ-OE2 2.79Å; E540-E544 WeakPolarHBondContact O-CG 3.43Å; E540-E544 PolarHBondContact O-N 3.39Å; F541-E544 WeakPolarHBondContact CD2-OE2 3.26Å; F541-E544 PolarHBondContact O-N 3.1Å; S542-E544 PolarHBondContact O-N 2.9Å; E544-Q547 WeakPolarHBondContact O-CB 3.31Å; E544-Q547 PolarHBondContact O-N 3.49Å; E544-C548 PolarHBondContact O-N 2.89Å; E544-C548 PolarHBondContact O-SG 3.18Å |
| 545 | L | 96.1 | Very high | 93.1 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | -179.9 | -64.6 | -178.6 | 0 | 0 | 0 | 112.4 | L517 V526 I529 A530 F541 S542 S543 Q547 C548 L549 | L517-L545 HydrophobicContact CD1-CD1 4.49Å; L517-L545 HydrophobicContact CD1-CD2 3.87Å; V526-L545 HydrophobicContact CG1-CB 4.32Å; V526-L545 HydrophobicContact CG1-CD2 4.17Å; I529-L545 HydrophobicContact CG2-CD1 3.85Å; A530-L545 HydrophobicContact CB-CB 3.6Å; A530-L545 HydrophobicContact CB-CD1 3.96Å; A530-L545 HydrophobicContact CB-CG 4.46Å; F541-L545 HydrophobicContact CD1-CD1 3.97Å; F541-L545 HydrophobicContact CD1-CG 4.47Å; F541-L545 HydrophobicContact CE1-CD1 3.67Å; F541-L545 HydrophobicContact CE1-CG 4.24Å; F541-L545 HydrophobicContact CE2-CD2 4.49Å; F541-L545 HydrophobicContact CZ-CD1 4.14Å; F541-L545 HydrophobicContact CZ-CD2 4.17Å; F541-L545 HydrophobicContact CZ-CG 4.29Å; F541-L545 WeakPolarHBondContact O-CG 3.29Å; F541-L545 PolarHBondContact O-N 2.96Å; F541-L545 VanDerWaalsContact O-N 3.11Å; S542-L545 PolarHBondContact O-N 2.72Å; S543-L545 PolarHBondContact O-N 2.82Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-Q547 PolarHBondContact O-N 3.03Å; L545-C548 PolarHBondContact O-N 2.87Å; L545-L549 WeakPolarHBondContact O-CG 3.17Å; L545-L549 PolarHBondContact O-N 3.04Å; L545-L549 VanDerWaalsContact O-N 3.13Å |
| 546 | Y | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 174 | -65.4 | -46.6 | 0 | 0 | 0 | 111.8 | Y527 A530 R531 S534 S542 S543 C548 L549 R550 L562 L565 | Y527-Y546 HydrophobicContact CD2-CE1 4.14Å; Y527-Y546 HydrophobicContact CE2-CE1 4.14Å; A530-Y546 HydrophobicContact CB-CD1 3.78Å; A530-Y546 HydrophobicContact CB-CE1 3.44Å; A530-Y546 VanDerWaalsContact CB-CE1 3.44Å; A530-Y546 HydrophobicContact CB-CE2 4.47Å; A530-Y546 HydrophobicContact CB-CG 4.43Å; A530-Y546 PolarHBondContact O-OH 2.88Å; R531-Y546 WeakPolarHBondContact CA-OH 3.25Å; R531-Y546 PolarHBondContact N-OH 3.48Å; S534-Y546 VanDerWaalsContact OG-CE2 3.31Å; S534-Y546 WeakPolarHBondContact OG-CE2 3.1Å; S534-Y546 PolarHBondContact OG-OH 3.03Å; S542-Y546 WeakPolarHBondContact O-CD2 3.28Å; S542-Y546 VanDerWaalsContact O-CG 3.3Å; S542-Y546 PolarHBondContact O-N 3.19Å; S543-Y546 PolarHBondContact O-N 3.15Å; Y546-C548 VanDerWaalsContact C-N 3.35Å; Y546-C548 PolarHBondContact O-N 2.97Å; Y546-L549 PolarHBondContact O-N 3Å; Y546-R550 WeakPolarHBondContact O-CB 3.39Å; Y546-R550 PolarHBondContact O-N 3.5Å; Y546-L562 HydrophobicContact CD1-CD2 3.98Å; Y546-L565 HydrophobicContact CD1-CB 4.2Å; Y546-L565 HydrophobicContact CD1-CD1 4.18Å; Y546-L565 HydrophobicContact CD2-CB 3.69Å; Y546-L565 HydrophobicContact CE1-CB 4.16Å; Y546-L565 HydrophobicContact CE1-CD1 3.63Å; Y546-L565 HydrophobicContact CE2-CB 3.67Å; Y546-L565 HydrophobicContact CE2-CD1 4.4Å; Y546-L565 HydrophobicContact CG-CB 3.99Å |
| 547 | Q | 95.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.1 | -179.6 | 63 | 29 | 0 | 0 | 111.5 | S543 E544 L545 L549 R550 K566 | S543-Q547 WeakPolarHBondContact O-CB 3.41Å; S543-Q547 PolarHBondContact O-N 3.17Å; E544-Q547 WeakPolarHBondContact O-CB 3.31Å; E544-Q547 PolarHBondContact O-N 3.49Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-Q547 PolarHBondContact O-N 3.03Å; Q547-L549 VanDerWaalsContact C-N 3.26Å; Q547-L549 PolarHBondContact O-N 3.39Å; Q547-R550 PolarHBondContact O-N 2.95Å; Q547-K566 HydrophobicContact CB-CG 4.27Å; Q547-K566 VanDerWaalsContact OE1-CE 3.23Å |
| 548 | C | 93.6 | Very high | 93.4 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -31.2 | 176.2 | -68 | 0 | 0 | 0 | 0 | 113.1 | E544 L545 Y546 R552 | E544-C548 PolarHBondContact O-N 2.89Å; E544-C548 PolarHBondContact O-SG 3.18Å; L545-C548 PolarHBondContact O-N 2.87Å; Y546-C548 VanDerWaalsContact C-N 3.35Å; Y546-C548 PolarHBondContact O-N 2.97Å; C548-R552 WeakPolarHBondContact O-CD 3.35Å |
| 549 | L | 94.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -87.7 | -26.3 | -178.9 | -73.8 | 175.5 | 0 | 0 | 0 | 114.2 | V526 L545 Y546 Q547 T551 R552 V553 L562 | V526-L549 HydrophobicContact CB-CD1 4.05Å; V526-L549 HydrophobicContact CB-CD2 4.04Å; V526-L549 HydrophobicContact CB-CG 4.26Å; V526-L549 HydrophobicContact CG1-CD1 3.75Å; V526-L549 HydrophobicContact CG1-CD2 4.05Å; V526-L549 HydrophobicContact CG1-CG 3.81Å; L545-L549 WeakPolarHBondContact O-CG 3.17Å; L545-L549 PolarHBondContact O-N 3.04Å; L545-L549 VanDerWaalsContact O-N 3.13Å; Y546-L549 PolarHBondContact O-N 3Å; Q547-L549 VanDerWaalsContact C-N 3.26Å; Q547-L549 PolarHBondContact O-N 3.39Å; L549-T551 PolarHBondContact O-N 3.06Å; L549-R552 PolarHBondContact O-N 3.33Å; L549-V553 WeakPolarHBondContact O-CG2 3.23Å; L549-L562 HydrophobicContact CB-CD1 3.72Å |
| 550 | R | 92.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 62 Ų | 62 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -50.5 | -41.1 | -169.5 | -172.5 | -178.3 | 64.8 | 159.8 | 5.8 | 113.2 | Y546 Q547 Y559 N563 | Y546-R550 WeakPolarHBondContact O-CB 3.39Å; Y546-R550 PolarHBondContact O-N 3.5Å; Q547-R550 PolarHBondContact O-N 2.95Å; R550-Y559 HydrophobicContact CG-CD2 3.73Å; R550-Y559 HydrophobicContact CG-CE2 3.56Å; R550-Y559 VanDerWaalsContact O-CD2 3.27Å; R550-Y559 WeakPolarHBondContact O-CD2 3.5Å; R550-N563 VanDerWaalsContact CD-OD1 3.25Å; R550-N563 WeakPolarHBondContact CD-OD1 3.32Å; R550-N563 HydrophobicContact CG-CB 4.28Å; R550-N563 PolarHBondContact NH1-OD1 3.02Å |
| 551 | T | 89.4 | Confident | 94 | Very high | 108 Ų | 108 | 60.2 Ų | 60.2 | 66% | 0.663 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -0.1 | -178.9 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | L549 | L549-T551 PolarHBondContact O-N 3.06Š|
| 552 | R | 91.4 | Very high | 94.2 | Very high | 166 Ų | 166 | 60.5 Ų | 60.5 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -105.9 | 28.4 | -176 | -62.4 | 179.2 | 63.9 | -175.1 | 0.4 | 112.6 | C548 L549 | C548-R552 WeakPolarHBondContact O-CD 3.35Å; L549-R552 PolarHBondContact O-N 3.33Å |
| 553 | V | 91.4 | Very high | 94.3 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | trans | -121.2 | 145.2 | -177.9 | -157.5 | 0 | 0 | 0 | 0 | 112 | L549 F558 L562 | L549-V553 WeakPolarHBondContact O-CG2 3.23Å; V553-F558 HydrophobicContact CB-CB 4.27Å; V553-F558 HydrophobicContact CG1-CB 3.4Å; V553-F558 HydrophobicContact CG1-CD2 3.88Å; V553-F558 HydrophobicContact CG1-CG 4.07Å; V553-L562 HydrophobicContact CG2-CD1 3.36Å | ||
| 554 | A | 89.9 | Confident | 94.5 | Very high | 112 Ų | 112 | 61.4 Ų | 61.4 | 93% | 0.926 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -86.7 | 3.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 555 | S | 91.3 | Very high | 94.6 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | trans | -136.3 | 138.8 | -177.5 | 176.6 | 0 | 0 | 0 | 0 | 111 | H557 F558 Y559 | S555-H557 VanDerWaalsContact C-N 3.31Å; S555-H557 PolarHBondContact O-N 2.85Å; S555-H557 PolarHBondContact OG-N 3.37Å; S555-F558 PolarHBondContact O-N 3.07Å; S555-Y559 PolarHBondContact O-N 3.4Å | ||
| 556 | E | 92.6 | Very high | 94.7 | Very high | 128 Ų | 128 | 59.2 Ų | 59.2 | 60% | 0.598 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | 173.7 | 62.8 | -175.7 | 174.8 | 0 | 0 | 112.3 | F558 Y559 F560 | E556-F558 VanDerWaalsContact C-N 3.29Å; E556-F558 PolarHBondContact O-N 3.19Å; E556-Y559 WeakPolarHBondContact O-CB 3.24Å; E556-Y559 PolarHBondContact O-N 3.43Å; E556-Y559 VanDerWaalsContact O-N 3.15Å; E556-F560 HydrophobicContact CB-CE2 4.43Å; E556-F560 WeakPolarHBondContact O-CD2 3.44Å; E556-F560 PolarHBondContact O-N 2.86Å |
| 557 | H | 93.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 60 Ų | 60 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 178.3 | -56.9 | -53.9 | 0 | 0 | 0 | 110.9 | S555 F560 W561 A607 T609 | S555-H557 VanDerWaalsContact C-N 3.31Å; S555-H557 PolarHBondContact O-N 2.85Å; S555-H557 PolarHBondContact OG-N 3.37Å; H557-F560 PolarHBondContact O-N 3.42Å; H557-W561 WeakPolarHBondContact O-CB 3.13Å; H557-W561 PolarHBondContact O-N 3.09Å; H557-A607 WeakPolarHBondContact O-CB 3.46Å; H557-T609 WeakPolarHBondContact CE1-CG2 3.24Å |
| 558 | F | 94.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 56.4 Ų | 56.4 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.3 | -31.4 | 176.7 | -61.5 | -41.5 | 0 | 0 | 0 | 113 | V553 S555 E556 W561 L562 | V553-F558 HydrophobicContact CB-CB 4.27Å; V553-F558 HydrophobicContact CG1-CB 3.4Å; V553-F558 HydrophobicContact CG1-CD2 3.88Å; V553-F558 HydrophobicContact CG1-CG 4.07Å; S555-F558 PolarHBondContact O-N 3.07Å; E556-F558 VanDerWaalsContact C-N 3.29Å; E556-F558 PolarHBondContact O-N 3.19Å; F558-W561 PolarHBondContact O-N 3.08Å; F558-L562 WeakPolarHBondContact O-CB 3.4Å; F558-L562 WeakPolarHBondContact O-CG 3.46Å; F558-L562 PolarHBondContact O-N 3.03Å |
| 559 | Y | 96.6 | Very high | 95 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 169.1 | 170.1 | -88.3 | 0 | 0 | 0 | 110.6 | R550 S555 E556 W561 L562 N563 | R550-Y559 HydrophobicContact CG-CD2 3.73Å; R550-Y559 HydrophobicContact CG-CE2 3.56Å; R550-Y559 VanDerWaalsContact O-CD2 3.27Å; R550-Y559 WeakPolarHBondContact O-CD2 3.5Å; S555-Y559 PolarHBondContact O-N 3.4Å; E556-Y559 WeakPolarHBondContact O-CB 3.24Å; E556-Y559 PolarHBondContact O-N 3.43Å; E556-Y559 VanDerWaalsContact O-N 3.15Å; Y559-W561 PolarHBondContact O-N 3.01Å; Y559-L562 PolarHBondContact O-N 2.92Å; Y559-N563 VanDerWaalsContact O-CB 3.25Å; Y559-N563 WeakPolarHBondContact O-CB 3.25Å; Y559-N563 PolarHBondContact O-N 2.95Å |
| 560 | F | 97.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 179.6 | -75.2 | -60.6 | 0 | 0 | 0 | 112.8 | E556 H557 S564 S603 A606 A607 | E556-F560 HydrophobicContact CB-CE2 4.43Å; E556-F560 WeakPolarHBondContact O-CD2 3.44Å; E556-F560 PolarHBondContact O-N 2.86Å; H557-F560 PolarHBondContact O-N 3.42Å; F560-S564 WeakPolarHBondContact O-CB 3.33Å; F560-S564 PolarHBondContact O-N 3.45Å; F560-S603 WeakPolarHBondContact CB-O 3.24Å; F560-S603 PolarHBondContact O-OG 3.45Å; F560-A606 HydrophobicContact CD1-CB 4.08Å; F560-A606 HydrophobicContact CD2-CB 4.21Å; F560-A606 HydrophobicContact CE1-CB 4.32Å; F560-A606 HydrophobicContact CE2-CB 4.45Å; F560-A606 HydrophobicContact CG-CB 4.04Å; F560-A607 HydrophobicContact CB-CB 3.74Å |
| 561 | W | 97.2 | Very high | 95.2 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -54.7 | 171.7 | 171.8 | -109.1 | 0 | 0 | 0 | 111.7 | Y527 H557 F558 Y559 N563 S564 L565 L604 A607 L614 Q617 F795 F796 | Y527-W561 AromaticContact CE2-NE1 3.87Å; Y527-W561 AromaticContact CZ-NE1 3.82Å; Y527-W561 PolarHBondContact OH-NE1 2.87Å; H557-W561 WeakPolarHBondContact O-CB 3.13Å; H557-W561 PolarHBondContact O-N 3.09Å; F558-W561 PolarHBondContact O-N 3.08Å; Y559-W561 PolarHBondContact O-N 3.01Å; W561-N563 VanDerWaalsContact C-N 3.29Å; W561-N563 PolarHBondContact O-N 3.38Å; W561-S564 PolarHBondContact O-N 3.19Å; W561-S564 VanDerWaalsContact O-N 3.1Å; W561-S564 PolarHBondContact O-OG 2.92Å; W561-L565 HydrophobicContact CD2-CD1 4.36Å; W561-L565 HydrophobicContact CD2-CG 4.39Å; W561-L565 HydrophobicContact CH2-CD2 4.18Å; W561-L565 HydrophobicContact CZ2-CD1 3.88Å; W561-L565 HydrophobicContact CZ2-CD2 4Å; W561-L565 HydrophobicContact CZ2-CG 4.19Å; W561-L565 PolarHBondContact O-N 2.91Å; W561-L604 HydrophobicContact CE3-CD1 3.58Å; W561-L604 HydrophobicContact CZ3-CD1 3.55Å; W561-A607 HydrophobicContact CB-CB 4.33Å; W561-L614 HydrophobicContact CE3-CD1 4.01Å; W561-L614 HydrophobicContact CZ3-CD1 4.28Å; W561-Q617 HydrophobicContact CH2-CG 4.17Å; W561-Q617 HydrophobicContact CZ3-CG 4.12Å; W561-F795 HydrophobicContact CH2-CD1 4.03Å; W561-F795 AromaticContact CH2-CE1 3.79Å; W561-F795 HydrophobicContact CH2-CE1 3.79Å; W561-F795 HydrophobicContact CZ3-CE1 4.37Å; W561-F796 AromaticContact CZ2-CD1 3.91Å; W561-F796 HydrophobicContact CZ2-CD1 3.91Å; W561-F796 HydrophobicContact CZ2-CE1 4.46Å |
| 562 | L | 97.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 178.9 | -70.6 | -177.4 | 0 | 0 | 0 | 112.3 | Y527 Y546 L549 V553 F558 Y559 S564 L565 K566 | Y527-L562 HydrophobicContact CD2-CD2 3.62Å; Y527-L562 HydrophobicContact CE2-CD2 3.68Å; Y546-L562 HydrophobicContact CD1-CD2 3.98Å; L549-L562 HydrophobicContact CB-CD1 3.72Å; V553-L562 HydrophobicContact CG2-CD1 3.36Å; F558-L562 WeakPolarHBondContact O-CB 3.4Å; F558-L562 WeakPolarHBondContact O-CG 3.46Å; F558-L562 PolarHBondContact O-N 3.03Å; Y559-L562 PolarHBondContact O-N 2.92Å; L562-S564 VanDerWaalsContact C-N 3.32Å; L562-S564 PolarHBondContact O-N 3.24Å; L562-L565 HydrophobicContact CD2-CD1 4.45Å; L562-L565 PolarHBondContact O-N 3.28Å; L562-K566 VanDerWaalsContact O-CB 3.31Å; L562-K566 WeakPolarHBondContact O-CB 3.27Å; L562-K566 PolarHBondContact O-N 2.92Å |
| 563 | N | 98 | Very high | 95.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 174.7 | -171 | 70 | 0 | 0 | 0 | 111.2 | R550 Y559 W561 K566 E567 S603 | R550-N563 VanDerWaalsContact CD-OD1 3.25Å; R550-N563 WeakPolarHBondContact CD-OD1 3.32Å; R550-N563 HydrophobicContact CG-CB 4.28Å; R550-N563 PolarHBondContact NH1-OD1 3.02Å; Y559-N563 VanDerWaalsContact O-CB 3.25Å; Y559-N563 WeakPolarHBondContact O-CB 3.25Å; Y559-N563 PolarHBondContact O-N 2.95Å; W561-N563 VanDerWaalsContact C-N 3.29Å; W561-N563 PolarHBondContact O-N 3.38Å; N563-K566 PolarHBondContact O-N 3.35Å; N563-E567 WeakPolarHBondContact O-CG 3.13Å; N563-E567 PolarHBondContact O-N 3.39Å; N563-S603 PolarHBondContact ND2-OG 3.33Å |
| 564 | S | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 175 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | F560 W561 L562 K566 E567 F568 G600 | F560-S564 WeakPolarHBondContact O-CB 3.33Å; F560-S564 PolarHBondContact O-N 3.45Å; W561-S564 PolarHBondContact O-N 3.19Å; W561-S564 VanDerWaalsContact O-N 3.1Å; W561-S564 PolarHBondContact O-OG 2.92Å; L562-S564 VanDerWaalsContact C-N 3.32Å; L562-S564 PolarHBondContact O-N 3.24Å; S564-K566 VanDerWaalsContact C-N 3.3Å; S564-K566 PolarHBondContact O-N 2.91Å; S564-E567 PolarHBondContact O-N 2.91Å; S564-F568 WeakPolarHBondContact O-CD2 3.45Å; S564-F568 WeakPolarHBondContact O-CG 3.34Å; S564-F568 PolarHBondContact O-N 3.47Å; S564-G600 VanDerWaalsContact CB-O 3.28Å; S564-G600 WeakPolarHBondContact CB-O 3.34Å |
| 565 | L | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.5 | -67.5 | -178.9 | 0 | 0 | 0 | 112.7 | Y527 Y546 W561 L562 S569 F795 F796 | Y527-L565 HydrophobicContact CE2-CD1 3.98Å; Y546-L565 HydrophobicContact CD1-CB 4.2Å; Y546-L565 HydrophobicContact CD1-CD1 4.18Å; Y546-L565 HydrophobicContact CD2-CB 3.69Å; Y546-L565 HydrophobicContact CE1-CB 4.16Å; Y546-L565 HydrophobicContact CE1-CD1 3.63Å; Y546-L565 HydrophobicContact CE2-CB 3.67Å; Y546-L565 HydrophobicContact CE2-CD1 4.4Å; Y546-L565 HydrophobicContact CG-CB 3.99Å; W561-L565 HydrophobicContact CD2-CD1 4.36Å; W561-L565 HydrophobicContact CD2-CG 4.39Å; W561-L565 HydrophobicContact CH2-CD2 4.18Å; W561-L565 HydrophobicContact CZ2-CD1 3.88Å; W561-L565 HydrophobicContact CZ2-CD2 4Å; W561-L565 HydrophobicContact CZ2-CG 4.19Å; W561-L565 PolarHBondContact O-N 2.91Å; L562-L565 HydrophobicContact CD2-CD1 4.45Å; L562-L565 PolarHBondContact O-N 3.28Å; L565-S569 WeakPolarHBondContact O-CB 3.1Å; L565-S569 PolarHBondContact O-N 2.85Å; L565-S569 PolarHBondContact O-OG 3.49Å; L565-F795 HydrophobicContact CD2-CD1 4.38Å; L565-F795 HydrophobicContact CD2-CE1 3.68Å; L565-F796 HydrophobicContact CD1-CD1 4.44Å; L565-F796 HydrophobicContact CD1-CE1 3.99Å; L565-F796 HydrophobicContact CD2-CE1 3.75Å; L565-F796 HydrophobicContact CD2-CZ 4.49Å |
| 566 | K | 98.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -50.5 | 174.3 | 176.6 | -112.3 | 164.4 | -161 | 0 | 110.9 | S543 Q547 L562 N563 S564 S569 Q570 | S543-K566 PolarHBondContact OG-O 3.43Å; Q547-K566 HydrophobicContact CB-CG 4.27Å; Q547-K566 VanDerWaalsContact OE1-CE 3.23Å; L562-K566 VanDerWaalsContact O-CB 3.31Å; L562-K566 WeakPolarHBondContact O-CB 3.27Å; L562-K566 PolarHBondContact O-N 2.92Å; N563-K566 PolarHBondContact O-N 3.35Å; S564-K566 VanDerWaalsContact C-N 3.3Å; S564-K566 PolarHBondContact O-N 2.91Å; K566-S569 PolarHBondContact O-N 3.36Å; K566-Q570 VanDerWaalsContact CE-CD 3.41Å; K566-Q570 VanDerWaalsContact CE-OE1 3.26Å; K566-Q570 WeakPolarHBondContact O-CG 3.34Å; K566-Q570 PolarHBondContact O-N 3.1Å |
| 567 | E | 98.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 178.1 | -64.3 | -66.1 | 140.7 | 0 | 0 | 112.5 | N563 S564 S569 Q570 A571 K599 | N563-E567 WeakPolarHBondContact O-CG 3.13Å; N563-E567 PolarHBondContact O-N 3.39Å; S564-E567 PolarHBondContact O-N 2.91Å; E567-S569 VanDerWaalsContact C-N 3.34Å; E567-S569 PolarHBondContact O-N 3Å; E567-Q570 PolarHBondContact O-N 2.91Å; E567-A571 PolarHBondContact O-N 2.88Å; E567-K599 HydrophobicContact CG-CB 4.19Å; E567-K599 WeakPolarHBondContact OE2-CD 3.36Å |
| 568 | F | 98 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 175 | -59.6 | -29 | 0 | 0 | 0 | 112.2 | S564 Q570 A571 E572 Y597 G600 L604 I621 F791 F795 | S564-F568 WeakPolarHBondContact O-CD2 3.45Å; S564-F568 WeakPolarHBondContact O-CG 3.34Å; S564-F568 PolarHBondContact O-N 3.47Å; F568-Q570 VanDerWaalsContact C-N 3.34Å; F568-A571 PolarHBondContact O-N 3.16Å; F568-E572 PolarHBondContact O-N 3Å; F568-E572 VanDerWaalsContact O-N 3.1Å; F568-Y597 HydrophobicContact CB-CE1 4.17Å; F568-Y597 AromaticContact CD1-CD1 3.48Å; F568-Y597 HydrophobicContact CD1-CD1 3.48Å; F568-Y597 VanDerWaalsContact CD1-CD1 3.48Å; F568-Y597 AromaticContact CD1-CE1 3.7Å; F568-Y597 HydrophobicContact CD1-CE1 3.7Å; F568-Y597 AromaticContact CE1-CD1 3.98Å; F568-Y597 HydrophobicContact CE1-CD1 3.98Å; F568-Y597 HydrophobicContact CE1-CE1 4.47Å; F568-Y597 HydrophobicContact CG-CD1 4.4Å; F568-Y597 HydrophobicContact CG-CE1 4.19Å; F568-G600 VanDerWaalsContact CE1-CA 3.48Å; F568-L604 HydrophobicContact CE2-CD2 4.12Å; F568-L604 HydrophobicContact CZ-CB 4.19Å; F568-L604 HydrophobicContact CZ-CD2 3.99Å; F568-I621 HydrophobicContact CD1-CD1 4.2Å; F568-I621 HydrophobicContact CD1-CG2 4.33Å; F568-I621 HydrophobicContact CD2-CD1 4Å; F568-I621 HydrophobicContact CD2-CG1 4.42Å; F568-I621 HydrophobicContact CE1-CD1 4.2Å; F568-I621 HydrophobicContact CE1-CG1 4.21Å; F568-I621 HydrophobicContact CE1-CG2 3.61Å; F568-I621 HydrophobicContact CE2-CD1 4.03Å; F568-I621 HydrophobicContact CE2-CG1 3.93Å; F568-I621 HydrophobicContact CG-CD1 4.1Å; F568-I621 HydrophobicContact CZ-CB 4.35Å; F568-I621 HydrophobicContact CZ-CD1 4.12Å; F568-I621 HydrophobicContact CZ-CG1 3.82Å; F568-I621 HydrophobicContact CZ-CG2 3.87Å; F568-F791 HydrophobicContact CB-CE2 4.42Å; F568-F791 HydrophobicContact CB-CZ 3.99Å; F568-F795 HydrophobicContact CD2-CZ 4.34Å; F568-F795 HydrophobicContact CE2-CZ 4.23Å |
| 569 | S | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | 174.9 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | H539 S542 L565 K566 E567 Q573 | H539-S569 WeakPolarHBondContact CB-O 3.44Å; H539-S569 WeakPolarHBondContact O-CB 3.44Å; S542-S569 WeakPolarHBondContact OG-CB 3.37Å; S542-S569 PolarHBondContact OG-OG 3Å; L565-S569 WeakPolarHBondContact O-CB 3.1Å; L565-S569 PolarHBondContact O-N 2.85Å; L565-S569 PolarHBondContact O-OG 3.49Å; K566-S569 PolarHBondContact O-N 3.36Å; E567-S569 VanDerWaalsContact C-N 3.34Å; E567-S569 PolarHBondContact O-N 3Å; S569-Q573 WeakPolarHBondContact O-CB 3.39Å; S569-Q573 PolarHBondContact O-N 3.37Å |
| 570 | Q | 95.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.1 | -69.7 | -174.6 | -34.7 | 0 | 0 | 111.7 | S543 K566 E567 F568 Q573 C574 | S543-Q570 WeakPolarHBondContact OG-CG 3.43Å; K566-Q570 VanDerWaalsContact CE-CD 3.41Å; K566-Q570 VanDerWaalsContact CE-OE1 3.26Å; K566-Q570 WeakPolarHBondContact O-CG 3.34Å; K566-Q570 PolarHBondContact O-N 3.1Å; E567-Q570 PolarHBondContact O-N 2.91Å; F568-Q570 VanDerWaalsContact C-N 3.34Å; Q570-Q573 PolarHBondContact O-N 3.4Å; Q570-C574 PolarHBondContact O-N 2.63Å; Q570-C574 VanDerWaalsContact O-N 3.1Å; Q570-C574 PolarHBondContact O-SG 3.36Å |
| 571 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | E567 F568 C574 A593 Y597 | E567-A571 PolarHBondContact O-N 2.88Å; F568-A571 PolarHBondContact O-N 3.16Å; A571-C574 PolarHBondContact O-N 2.83Å; A571-A593 HydrophobicContact CB-CB 4.26Å; A571-A593 WeakPolarHBondContact CB-O 3.45Å; A571-A593 WeakPolarHBondContact O-CB 3.46Å; A571-Y597 HydrophobicContact CB-CD1 4.23Å; A571-Y597 HydrophobicContact CB-CD2 3.44Å; A571-Y597 VanDerWaalsContact CB-CD2 3.44Å; A571-Y597 HydrophobicContact CB-CE1 4.23Å; A571-Y597 HydrophobicContact CB-CE2 3.46Å; A571-Y597 VanDerWaalsContact CB-CE2 3.46Å; A571-Y597 HydrophobicContact CB-CG 3.83Å |
| 572 | E | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.2 | -31.9 | 178.7 | -69.3 | -64.6 | 135.8 | 0 | 0 | 112.7 | H539 F568 C574 L575 S576 Y597 R624 L789 | H539-E572 HydrophobicContact CB-CB 4.17Å; H539-E572 VanDerWaalsContact CD2-CB 3.49Å; H539-E572 WeakPolarHBondContact CD2-CB 3.44Å; F568-E572 PolarHBondContact O-N 3Å; F568-E572 VanDerWaalsContact O-N 3.1Å; E572-C574 VanDerWaalsContact C-N 3.34Å; E572-C574 PolarHBondContact O-N 3.07Å; E572-L575 PolarHBondContact O-N 3.46Å; E572-S576 PolarHBondContact O-N 3.47Å; E572-Y597 VanDerWaalsContact CG-OH 3.24Å; E572-Y597 WeakPolarHBondContact CG-OH 3.44Å; E572-Y597 PolarHBondContact OE1-OH 3.09Å; E572-R624 IonicContact OE1-CZ 3.55Å; E572-R624 IonicContact OE1-NE 2.66Å; E572-R624 PolarHBondContact OE1-NE 3.01Å; E572-R624 VanDerWaalsContact OE1-NE 3.08Å; E572-R624 IonicContact OE1-NH2 3.88Å; E572-R624 PolarHBondContact OE1-NH2 3.33Å; E572-R624 IonicContact OE2-NH2 3.75Å; E572-R624 PolarHBondContact OE2-NH2 3.04Å; E572-L789 VanDerWaalsContact CD-CB 3.47Å; E572-L789 HydrophobicContact CG-CB 4.07Å; E572-L789 VanDerWaalsContact OE2-CB 3.22Å; E572-L789 WeakPolarHBondContact OE2-CB 3.39Å; E572-L789 PolarHBondContact OE2-N 2.82Å |
| 573 | Q | 92.3 | Very high | 92.1 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 171.8 | -179.6 | -174.7 | -6.9 | 0 | 0 | 111.4 | E540 S569 Q570 L575 S576 H577 | E540-Q573 HydrophobicContact CB-CG 4.13Å; S569-Q573 WeakPolarHBondContact O-CB 3.39Å; S569-Q573 PolarHBondContact O-N 3.37Å; Q570-Q573 PolarHBondContact O-N 3.4Å; Q573-L575 PolarHBondContact O-N 2.99Å; Q573-S576 PolarHBondContact O-N 3.2Å; Q573-S576 PolarHBondContact O-OG 2.93Å; Q573-H577 PolarHBondContact O-CD2 3.46Å; Q573-H577 VanDerWaalsContact O-CD2 3.32Å |
| 574 | C | 91.3 | Very high | 91.7 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -34.2 | 179.2 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | Q570 A571 E572 | Q570-C574 PolarHBondContact O-N 2.63Å; Q570-C574 VanDerWaalsContact O-N 3.1Å; Q570-C574 PolarHBondContact O-SG 3.36Å; A571-C574 PolarHBondContact O-N 2.83Å; E572-C574 VanDerWaalsContact C-N 3.34Å; E572-C574 PolarHBondContact O-N 3.07Å |
| 575 | L | 91.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.4 | -26.2 | -179.4 | -61.2 | 176.5 | 0 | 0 | 0 | 112.9 | E572 Q573 H577 V578 I590 A593 L628 L785 | E572-L575 PolarHBondContact O-N 3.46Å; Q573-L575 PolarHBondContact O-N 2.99Å; L575-H577 VanDerWaalsContact C-N 3.26Å; L575-H577 PolarHBondContact O-N 2.82Å; L575-V578 WeakPolarHBondContact O-CG2 3.36Å; L575-I590 HydrophobicContact CD2-CG1 4.24Å; L575-A593 HydrophobicContact CD1-CB 4.2Å; L575-A593 HydrophobicContact CD2-CB 3.71Å; L575-A593 HydrophobicContact CG-CB 3.83Å; L575-L628 HydrophobicContact CD1-CD1 4.1Å; L575-L628 HydrophobicContact CD1-CD2 3.84Å; L575-L628 HydrophobicContact CD2-CD2 4.48Å; L575-L785 HydrophobicContact CD1-CD2 4.35Å; L575-L785 HydrophobicContact CD2-CD2 4.26Å |
| 576 | S | 84.1 | Confident | 91 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.8 | -16.4 | -177.2 | 71.4 | 0 | 0 | 0 | 0 | 114.8 | E572 Q573 | E572-S576 PolarHBondContact O-N 3.47Å; Q573-S576 PolarHBondContact O-N 3.2Å; Q573-S576 PolarHBondContact O-OG 2.93Å |
| 577 | H | 81.8 | Confident | 90.8 | Very high | 126 Ų | 126 | 46.2 Ų | 46.2 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 12.5 | -175.3 | -62.5 | -57.4 | 0 | 0 | 0 | 114.1 | Q573 L575 E579 | Q573-H577 PolarHBondContact O-CD2 3.46Å; Q573-H577 VanDerWaalsContact O-CD2 3.32Å; L575-H577 VanDerWaalsContact C-N 3.26Å; L575-H577 PolarHBondContact O-N 2.82Å; H577-E579 PolarHBondContact O-N 3.09Å |
| 578 | V | 87.6 | Confident | 90.6 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 123.6 | 179.5 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | L575 A586 A589 I782 K786 | L575-V578 WeakPolarHBondContact O-CG2 3.36Å; V578-A586 HydrophobicContact CG1-CB 3.68Å; V578-A589 HydrophobicContact CG2-CB 3.68Å; V578-I782 HydrophobicContact CG1-CD1 4.5Å; V578-I782 HydrophobicContact CG1-CG1 4.17Å; V578-I782 HydrophobicContact CG1-CG2 4.1Å; V578-K786 WeakPolarHBondContact O-CE 3.48Å |
| 579 | E | 87.5 | Confident | 90.4 | Very high | 140 Ų | 140 | 50.1 Ų | 50.1 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -77 | 152 | 177.2 | -65.4 | -171.6 | 174.2 | 0 | 0 | 112.1 | H577 D582 | H577-E579 PolarHBondContact O-N 3.09Å; E579-D582 HydrophobicContact CB-CB 4.26Å; E579-D582 PolarHBondContact O-N 3.03Å |
| 580 | E | 86.3 | Confident | 90.4 | Very high | 157 Ų | 157 | 50 Ų | 50 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 135.1 | 174.9 | -98.7 | 153.9 | -130.5 | 0 | 0 | 111.2 | D582 K786 | E580-D582 PolarHBondContact O-N 3.43Å; E580-K786 IonicContact OE1-NZ 2.82Å; E580-K786 PolarHBondContact OE1-NZ 3.31Å |
| 581 | G | 82.7 | Confident | 90.4 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y583 | G581-Y583 PolarHBondContact O-N 3.29Š|
| 582 | D | 89.1 | Confident | 90.4 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | trans | -90.8 | 80.5 | 174.8 | -175.4 | 13.5 | 0 | 0 | 0 | 112.4 | E579 E580 S584 G585 A586 | E579-D582 HydrophobicContact CB-CB 4.26Å; E579-D582 PolarHBondContact O-N 3.03Å; E580-D582 PolarHBondContact O-N 3.43Å; D582-S584 PolarHBondContact O-N 2.87Å; D582-S584 PolarHBondContact OD1-N 3.18Å; D582-S584 VanDerWaalsContact OD1-N 3.14Å; D582-S584 PolarHBondContact OD1-OG 3.06Å; D582-G585 VanDerWaalsContact CG-N 3.28Å; D582-G585 PolarHBondContact O-N 2.79Å; D582-G585 PolarHBondContact OD1-N 3.48Å; D582-G585 VanDerWaalsContact OD2-CA 3.24Å; D582-G585 WeakPolarHBondContact OD2-CA 3.27Å; D582-G585 PolarHBondContact OD2-N 3.08Å; D582-A586 WeakPolarHBondContact O-CB 3.44Å; D582-A586 PolarHBondContact O-N 3.26Å | ||
| 583 | Y | 88.8 | Confident | 90.5 | Very high | 42 Ų | 42 | 52.8 Ų | 52.8 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -25.3 | 177.8 | -45.3 | -43.5 | 0 | 0 | 0 | 113.1 | G581 M587 N775 C778 I782 | G581-Y583 PolarHBondContact O-N 3.29Å; Y583-M587 WeakPolarHBondContact O-CG 3.38Å; Y583-M587 PolarHBondContact O-N 3.22Å; Y583-N775 PolarHBondContact OH-OD1 3.25Å; Y583-C778 HydrophobicContact CD1-CB 3.56Å; Y583-C778 HydrophobicContact CE1-CB 3.41Å; Y583-C778 VanDerWaalsContact CE1-CB 3.41Å; Y583-C778 HydrophobicContact CG-CB 4.25Å; Y583-I782 HydrophobicContact CD1-CD1 3.81Å; Y583-I782 HydrophobicContact CE1-CD1 4.09Å |
| 584 | S | 88.4 | Confident | 90.8 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 63% | 0.629 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -78 | -44.1 | -179.1 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | D582 A586 M587 S588 | D582-S584 PolarHBondContact O-N 2.87Å; D582-S584 PolarHBondContact OD1-N 3.18Å; D582-S584 VanDerWaalsContact OD1-N 3.14Å; D582-S584 PolarHBondContact OD1-OG 3.06Å; S584-A586 VanDerWaalsContact C-N 3.34Å; S584-M587 PolarHBondContact O-N 2.66Å; S584-S588 PolarHBondContact O-N 2.96Å |
| 585 | G | 90.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D582 M587 S588 A589 | D582-G585 VanDerWaalsContact CG-N 3.28Å; D582-G585 PolarHBondContact O-N 2.79Å; D582-G585 PolarHBondContact OD1-N 3.48Å; D582-G585 VanDerWaalsContact OD2-CA 3.24Å; D582-G585 WeakPolarHBondContact OD2-CA 3.27Å; D582-G585 PolarHBondContact OD2-N 3.08Å; G585-M587 PolarHBondContact O-N 3.13Å; G585-S588 PolarHBondContact O-N 3.07Å; G585-S588 VanDerWaalsContact O-N 3.16Å; G585-A589 WeakPolarHBondContact O-CB 3.5Å; G585-A589 PolarHBondContact O-N 3.1Å |
| 586 | A | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V578 D582 S584 S588 A589 I590 I635 I782 | V578-A586 HydrophobicContact CG1-CB 3.68Å; D582-A586 WeakPolarHBondContact O-CB 3.44Å; D582-A586 PolarHBondContact O-N 3.26Å; S584-A586 VanDerWaalsContact C-N 3.34Å; A586-S588 PolarHBondContact O-N 2.87Å; A586-A589 PolarHBondContact O-N 3.44Å; A586-I590 VanDerWaalsContact O-CG1 3.23Å; A586-I590 WeakPolarHBondContact O-CG1 3.47Å; A586-I590 PolarHBondContact O-N 3.46Å; A586-I635 HydrophobicContact CB-CD1 4.25Å; A586-I782 HydrophobicContact CB-CD1 4.48Å; A586-I782 HydrophobicContact CB-CG1 4.21Å |
| 587 | M | 93.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.3 | -70.8 | -122.2 | -50.9 | 0 | 0 | 112.9 | Y583 S584 G585 I590 A591 I635 C636 | Y583-M587 WeakPolarHBondContact O-CG 3.38Å; Y583-M587 PolarHBondContact O-N 3.22Å; S584-M587 PolarHBondContact O-N 2.66Å; G585-M587 PolarHBondContact O-N 3.13Å; M587-I590 PolarHBondContact O-N 3Å; M587-A591 WeakPolarHBondContact O-CB 3.38Å; M587-A591 PolarHBondContact O-N 3.05Å; M587-I635 HydrophobicContact CG-CB 4.2Å; M587-I635 HydrophobicContact CG-CD1 4.4Å; M587-I635 HydrophobicContact CG-CG2 3.62Å; M587-I635 HydrophobicContact SD-CB 4.13Å; M587-I635 HydrophobicContact SD-CG2 3.88Å; M587-C636 VanDerWaalsContact SD-SG 3.67Å |
| 588 | S | 94.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 57% | 0.573 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | S584 G585 A586 A591 E592 | S584-S588 PolarHBondContact O-N 2.96Å; G585-S588 PolarHBondContact O-N 3.07Å; G585-S588 VanDerWaalsContact O-N 3.16Å; A586-S588 PolarHBondContact O-N 2.87Å; S588-A591 PolarHBondContact O-N 3.33Å; S588-E592 PolarHBondContact O-N 3.35Å |
| 589 | A | 94.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V578 G585 A586 A591 E592 A593 | V578-A589 HydrophobicContact CG2-CB 3.68Å; G585-A589 WeakPolarHBondContact O-CB 3.5Å; G585-A589 PolarHBondContact O-N 3.1Å; A586-A589 PolarHBondContact O-N 3.44Å; A589-A591 VanDerWaalsContact C-N 3.34Å; A589-A591 PolarHBondContact O-N 2.86Å; A589-E592 PolarHBondContact O-N 3.36Å; A589-A593 WeakPolarHBondContact O-CB 3.4Å; A589-A593 PolarHBondContact O-N 3.44Å |
| 590 | I | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175 | -65.2 | 162.6 | 0 | 0 | 0 | 110.7 | L575 A586 M587 E592 A593 L594 L628 I635 L785 | L575-I590 HydrophobicContact CD2-CG1 4.24Å; A586-I590 VanDerWaalsContact O-CG1 3.23Å; A586-I590 WeakPolarHBondContact O-CG1 3.47Å; A586-I590 PolarHBondContact O-N 3.46Å; M587-I590 PolarHBondContact O-N 3Å; I590-E592 VanDerWaalsContact C-N 3.35Å; I590-E592 PolarHBondContact O-N 2.82Å; I590-A593 PolarHBondContact O-N 2.65Å; I590-L594 HydrophobicContact CG2-CD1 3.8Å; I590-L594 HydrophobicContact CG2-CG 4.12Å; I590-L594 WeakPolarHBondContact O-CB 3.37Å; I590-L594 VanDerWaalsContact O-CG 3.25Å; I590-L594 WeakPolarHBondContact O-CG 3.47Å; I590-L594 PolarHBondContact O-N 2.84Å; I590-L628 HydrophobicContact CG2-CB 4.19Å; I590-I635 HydrophobicContact CD1-CD1 3.99Å; I590-L785 HydrophobicContact CD1-CD1 3.85Å; I590-L785 HydrophobicContact CG1-CD1 3.94Å |
| 591 | A | 96.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 43 Ų | 43 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M587 S588 A589 R595 | M587-A591 WeakPolarHBondContact O-CB 3.38Å; M587-A591 PolarHBondContact O-N 3.05Å; S588-A591 PolarHBondContact O-N 3.33Å; A589-A591 VanDerWaalsContact C-N 3.34Å; A589-A591 PolarHBondContact O-N 2.86Å; A591-R595 PolarHBondContact O-N 3.35Å; A591-R595 VanDerWaalsContact O-N 3.11Å |
| 592 | E | 96.5 | Very high | 95.1 | Very high | 66 Ų | 66 | 44 Ų | 44 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 174.6 | -167.5 | 62.3 | -128.4 | 0 | 0 | 111.9 | S588 A589 I590 L594 R595 S596 | S588-E592 PolarHBondContact O-N 3.35Å; A589-E592 PolarHBondContact O-N 3.36Å; I590-E592 VanDerWaalsContact C-N 3.35Å; I590-E592 PolarHBondContact O-N 2.82Å; E592-L594 PolarHBondContact O-N 3.29Å; E592-R595 WeakPolarHBondContact O-CB 3.29Å; E592-R595 PolarHBondContact O-N 3.24Å; E592-R595 IonicContact OE1-CZ 3.88Å; E592-R595 IonicContact OE1-NH1 3.17Å; E592-R595 PolarHBondContact OE1-NH1 3.49Å; E592-R595 IonicContact OE2-CZ 2.65Å; E592-R595 IonicContact OE2-NH1 3.77Å; E592-R595 PolarHBondContact OE2-NH1 2.96Å; E592-R595 IonicContact OE2-NH2 2.75Å; E592-S596 PolarHBondContact O-N 2.77Å; E592-S596 PolarHBondContact O-OG 2.86Å |
| 593 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A571 L575 A589 I590 R595 S596 Y597 L628 | A571-A593 HydrophobicContact CB-CB 4.26Å; A571-A593 WeakPolarHBondContact CB-O 3.45Å; A571-A593 WeakPolarHBondContact O-CB 3.46Å; L575-A593 HydrophobicContact CD1-CB 4.2Å; L575-A593 HydrophobicContact CD2-CB 3.71Å; L575-A593 HydrophobicContact CG-CB 3.83Å; A589-A593 WeakPolarHBondContact O-CB 3.4Å; A589-A593 PolarHBondContact O-N 3.44Å; I590-A593 PolarHBondContact O-N 2.65Å; A593-R595 VanDerWaalsContact C-N 3.32Å; A593-R595 PolarHBondContact O-N 3.16Å; A593-S596 PolarHBondContact O-N 3.43Å; A593-Y597 WeakPolarHBondContact O-CB 3.48Å; A593-Y597 WeakPolarHBondContact O-CD2 3.39Å; A593-Y597 PolarHBondContact O-N 3.4Å; A593-L628 HydrophobicContact CB-CD1 4.46Å |
| 594 | L | 97.9 | Very high | 96 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.2 | -75.6 | 172.7 | 0 | 0 | 0 | 111.8 | I590 E592 S596 Y597 Q598 I625 L628 Q629 | I590-L594 HydrophobicContact CG2-CD1 3.8Å; I590-L594 HydrophobicContact CG2-CG 4.12Å; I590-L594 WeakPolarHBondContact O-CB 3.37Å; I590-L594 VanDerWaalsContact O-CG 3.25Å; I590-L594 WeakPolarHBondContact O-CG 3.47Å; I590-L594 PolarHBondContact O-N 2.84Å; E592-L594 PolarHBondContact O-N 3.29Å; L594-S596 PolarHBondContact O-N 3.18Å; L594-Y597 PolarHBondContact O-N 2.86Å; L594-Q598 WeakPolarHBondContact O-CB 3.47Å; L594-Q598 WeakPolarHBondContact O-CG 2.98Å; L594-Q598 PolarHBondContact O-N 2.57Å; L594-I625 HydrophobicContact CD2-CG2 3.94Å; L594-L628 HydrophobicContact CD2-CB 3.85Å; L594-L628 HydrophobicContact CD2-CD1 4.5Å; L594-L628 HydrophobicContact CG-CB 4.31Å; L594-Q629 HydrophobicContact CD1-CG 3.86Å; L594-Q629 HydrophobicContact CD2-CG 3.78Å |
| 595 | R | 97.9 | Very high | 96.3 | Very high | 127 Ų | 127 | 39.3 Ų | 39.3 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.4 | -169.1 | -171 | -56.3 | 138.9 | 7.1 | 111.7 | A591 E592 A593 Q598 K599 | A591-R595 PolarHBondContact O-N 3.35Å; A591-R595 VanDerWaalsContact O-N 3.11Å; E592-R595 WeakPolarHBondContact O-CB 3.29Å; E592-R595 PolarHBondContact O-N 3.24Å; E592-R595 IonicContact OE1-CZ 3.88Å; E592-R595 IonicContact OE1-NH1 3.17Å; E592-R595 PolarHBondContact OE1-NH1 3.49Å; E592-R595 IonicContact OE2-CZ 2.65Å; E592-R595 IonicContact OE2-NH1 3.77Å; E592-R595 PolarHBondContact OE2-NH1 2.96Å; E592-R595 IonicContact OE2-NH2 2.75Å; A593-R595 VanDerWaalsContact C-N 3.32Å; A593-R595 PolarHBondContact O-N 3.16Å; R595-Q598 PolarHBondContact O-N 2.96Å; R595-K599 WeakPolarHBondContact O-CG 3.43Å; R595-K599 PolarHBondContact O-N 3.45Å; R595-K599 VanDerWaalsContact O-N 3.14Å |
| 596 | S | 97.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | E592 A593 L594 Q598 K599 G600 | E592-S596 PolarHBondContact O-N 2.77Å; E592-S596 PolarHBondContact O-OG 2.86Å; A593-S596 PolarHBondContact O-N 3.43Å; L594-S596 PolarHBondContact O-N 3.18Å; S596-Q598 PolarHBondContact O-N 2.8Å; S596-K599 PolarHBondContact O-N 2.73Å; S596-G600 PolarHBondContact O-N 2.86Å |
| 597 | Y | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 173.9 | -89.7 | -56.6 | 0 | 0 | 0 | 113.2 | F568 A571 E572 A593 L594 G600 I601 I621 R624 I625 L628 | F568-Y597 HydrophobicContact CB-CE1 4.17Å; F568-Y597 AromaticContact CD1-CD1 3.48Å; F568-Y597 HydrophobicContact CD1-CD1 3.48Å; F568-Y597 VanDerWaalsContact CD1-CD1 3.48Å; F568-Y597 AromaticContact CD1-CE1 3.7Å; F568-Y597 HydrophobicContact CD1-CE1 3.7Å; F568-Y597 AromaticContact CE1-CD1 3.98Å; F568-Y597 HydrophobicContact CE1-CD1 3.98Å; F568-Y597 HydrophobicContact CE1-CE1 4.47Å; F568-Y597 HydrophobicContact CG-CD1 4.4Å; F568-Y597 HydrophobicContact CG-CE1 4.19Å; A571-Y597 HydrophobicContact CB-CD1 4.23Å; A571-Y597 HydrophobicContact CB-CD2 3.44Å; A571-Y597 VanDerWaalsContact CB-CD2 3.44Å; A571-Y597 HydrophobicContact CB-CE1 4.23Å; A571-Y597 HydrophobicContact CB-CE2 3.46Å; A571-Y597 VanDerWaalsContact CB-CE2 3.46Å; A571-Y597 HydrophobicContact CB-CG 3.83Å; E572-Y597 VanDerWaalsContact CG-OH 3.24Å; E572-Y597 WeakPolarHBondContact CG-OH 3.44Å; E572-Y597 PolarHBondContact OE1-OH 3.09Å; A593-Y597 WeakPolarHBondContact O-CB 3.48Å; A593-Y597 WeakPolarHBondContact O-CD2 3.39Å; A593-Y597 PolarHBondContact O-N 3.4Å; L594-Y597 PolarHBondContact O-N 2.86Å; Y597-G600 CarbonylContact O-C 3.6Å; Y597-G600 PolarHBondContact O-N 2.92Å; Y597-I601 WeakPolarHBondContact O-CG2 2.95Å; Y597-I601 PolarHBondContact O-N 2.98Å; Y597-I621 HydrophobicContact CD1-CG2 3.95Å; Y597-I621 HydrophobicContact CE1-CD1 3.99Å; Y597-I621 HydrophobicContact CE1-CG2 4.38Å; Y597-R624 HydrophobicContact CE1-CG 4.49Å; Y597-R624 HydrophobicContact CE2-CG 4.12Å; Y597-I625 HydrophobicContact CG-CG1 4.07Å; Y597-L628 HydrophobicContact CD2-CD1 3.73Å; Y597-L628 HydrophobicContact CE2-CD1 3.63Å |
| 598 | Q | 97.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.4 | -72.5 | -65.9 | -11 | 0 | 0 | 112.4 | L594 R595 S596 I601 A602 | L594-Q598 WeakPolarHBondContact O-CB 3.47Å; L594-Q598 WeakPolarHBondContact O-CG 2.98Å; L594-Q598 PolarHBondContact O-N 2.57Å; R595-Q598 PolarHBondContact O-N 2.96Å; S596-Q598 PolarHBondContact O-N 2.8Å; Q598-I601 VanDerWaalsContact O-CG2 3.31Å; Q598-I601 WeakPolarHBondContact O-CG2 3.47Å; Q598-A602 WeakPolarHBondContact O-CB 3.24Å; Q598-A602 PolarHBondContact O-N 2.96Å |
| 599 | K | 98 | Very high | 96.6 | Very high | 109 Ų | 109 | 38 Ų | 38 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 170.5 | -69.4 | 173.1 | -178.1 | 174.3 | 0 | 111.5 | E567 R595 S596 A602 S603 | E567-K599 HydrophobicContact CG-CB 4.19Å; E567-K599 WeakPolarHBondContact OE2-CD 3.36Å; R595-K599 WeakPolarHBondContact O-CG 3.43Å; R595-K599 PolarHBondContact O-N 3.45Å; R595-K599 VanDerWaalsContact O-N 3.14Å; S596-K599 PolarHBondContact O-N 2.73Å; K599-A602 PolarHBondContact O-N 3.15Å; K599-S603 WeakPolarHBondContact O-CB 3.5Å; K599-S603 PolarHBondContact O-N 3.47Å |
| 600 | G | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S564 F568 S596 Y597 S603 L604 | S564-G600 VanDerWaalsContact CB-O 3.28Å; S564-G600 WeakPolarHBondContact CB-O 3.34Å; F568-G600 VanDerWaalsContact CE1-CA 3.48Å; S596-G600 PolarHBondContact O-N 2.86Å; Y597-G600 CarbonylContact O-C 3.6Å; Y597-G600 PolarHBondContact O-N 2.92Å; G600-S603 WeakPolarHBondContact O-CB 3.4Å; G600-S603 PolarHBondContact O-N 3.01Å; G600-L604 WeakPolarHBondContact O-CB 3.48Å; G600-L604 PolarHBondContact O-N 3.02Å |
| 601 | I | 97.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -35.5 | -179.9 | -169.7 | 59.3 | 0 | 0 | 0 | 112.1 | Y597 Q598 L604 T605 C618 I621 K622 I625 | Y597-I601 WeakPolarHBondContact O-CG2 2.95Å; Y597-I601 PolarHBondContact O-N 2.98Å; Q598-I601 VanDerWaalsContact O-CG2 3.31Å; Q598-I601 WeakPolarHBondContact O-CG2 3.47Å; I601-L604 HydrophobicContact CD1-CD2 4.04Å; I601-L604 PolarHBondContact O-N 3.49Å; I601-T605 WeakPolarHBondContact O-CB 3.34Å; I601-T605 PolarHBondContact O-N 2.92Å; I601-T605 PolarHBondContact O-OG1 3.21Å; I601-C618 HydrophobicContact CD1-CB 4.19Å; I601-I621 HydrophobicContact CB-CG2 4.29Å; I601-I621 HydrophobicContact CD1-CB 4.33Å; I601-I621 HydrophobicContact CD1-CG2 4.19Å; I601-K622 HydrophobicContact CD1-CG 4.47Å; I601-K622 HydrophobicContact CG1-CG 4.47Å; I601-I625 HydrophobicContact CB-CD1 4.34Å; I601-I625 HydrophobicContact CG2-CD1 4.09Å |
| 602 | A | 97.7 | Very high | 94.9 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q598 K599 T605 A606 | Q598-A602 WeakPolarHBondContact O-CB 3.24Å; Q598-A602 PolarHBondContact O-N 2.96Å; K599-A602 PolarHBondContact O-N 3.15Å; A602-T605 PolarHBondContact O-N 2.72Å; A602-A606 PolarHBondContact O-N 3.23Å; A602-A606 VanDerWaalsContact O-N 3.13Å |
| 603 | S | 97.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.6 | -167.5 | 0 | 0 | 0 | 0 | 112 | F560 N563 K599 G600 T605 A606 A607 | F560-S603 WeakPolarHBondContact CB-O 3.24Å; F560-S603 PolarHBondContact O-OG 3.45Å; N563-S603 PolarHBondContact ND2-OG 3.33Å; K599-S603 WeakPolarHBondContact O-CB 3.5Å; K599-S603 PolarHBondContact O-N 3.47Å; G600-S603 WeakPolarHBondContact O-CB 3.4Å; G600-S603 PolarHBondContact O-N 3.01Å; S603-T605 VanDerWaalsContact C-N 3.33Å; S603-T605 PolarHBondContact O-N 3.11Å; S603-A606 WeakPolarHBondContact O-CB 3.5Å; S603-A606 PolarHBondContact O-N 3.19Å; S603-A607 PolarHBondContact O-N 3.28Å |
| 604 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 179.3 | -177.3 | 65.7 | 0 | 0 | 0 | 111.7 | W561 F568 G600 I601 A606 A607 S608 L614 Q617 | W561-L604 HydrophobicContact CE3-CD1 3.58Å; W561-L604 HydrophobicContact CZ3-CD1 3.55Å; F568-L604 HydrophobicContact CE2-CD2 4.12Å; F568-L604 HydrophobicContact CZ-CB 4.19Å; F568-L604 HydrophobicContact CZ-CD2 3.99Å; G600-L604 WeakPolarHBondContact O-CB 3.48Å; G600-L604 PolarHBondContact O-N 3.02Å; I601-L604 HydrophobicContact CD1-CD2 4.04Å; I601-L604 PolarHBondContact O-N 3.49Å; L604-A606 VanDerWaalsContact C-N 3.31Å; L604-A606 PolarHBondContact O-N 2.88Å; L604-A607 WeakPolarHBondContact O-CB 3.37Å; L604-A607 PolarHBondContact O-N 2.78Å; L604-A607 VanDerWaalsContact O-N 3.12Å; L604-S608 PolarHBondContact O-N 3.41Å; L604-S608 VanDerWaalsContact O-N 3.12Å; L604-L614 HydrophobicContact CD1-CB 4.45Å; L604-L614 HydrophobicContact CD1-CD1 3.63Å; L604-L614 HydrophobicContact CG-CD1 4.47Å; L604-Q617 HydrophobicContact CD1-CB 4.35Å; L604-Q617 HydrophobicContact CD2-CB 3.76Å |
| 605 | T | 96.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | I601 A602 S603 A607 S608 | I601-T605 WeakPolarHBondContact O-CB 3.34Å; I601-T605 PolarHBondContact O-N 2.92Å; I601-T605 PolarHBondContact O-OG1 3.21Å; A602-T605 PolarHBondContact O-N 2.72Å; S603-T605 VanDerWaalsContact C-N 3.33Å; S603-T605 PolarHBondContact O-N 3.11Å; T605-A607 VanDerWaalsContact C-N 3.3Å; T605-A607 PolarHBondContact O-N 3.12Å; T605-S608 WeakPolarHBondContact O-CB 3.44Å; T605-S608 PolarHBondContact O-N 3.14Å |
| 606 | A | 95.2 | Very high | 94.2 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68 | -26.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F560 A602 S603 L604 | F560-A606 HydrophobicContact CD1-CB 4.08Å; F560-A606 HydrophobicContact CD2-CB 4.21Å; F560-A606 HydrophobicContact CE1-CB 4.32Å; F560-A606 HydrophobicContact CE2-CB 4.45Å; F560-A606 HydrophobicContact CG-CB 4.04Å; A602-A606 PolarHBondContact O-N 3.23Å; A602-A606 VanDerWaalsContact O-N 3.13Å; S603-A606 WeakPolarHBondContact O-CB 3.5Å; S603-A606 PolarHBondContact O-N 3.19Å; L604-A606 VanDerWaalsContact C-N 3.31Å; L604-A606 PolarHBondContact O-N 2.88Å |
| 607 | A | 95.2 | Very high | 94.2 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.3 | -24.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H557 F560 W561 S603 L604 T605 L614 | H557-A607 WeakPolarHBondContact O-CB 3.46Å; F560-A607 HydrophobicContact CB-CB 3.74Å; W561-A607 HydrophobicContact CB-CB 4.33Å; S603-A607 PolarHBondContact O-N 3.28Å; L604-A607 WeakPolarHBondContact O-CB 3.37Å; L604-A607 PolarHBondContact O-N 2.78Å; L604-A607 VanDerWaalsContact O-N 3.12Å; T605-A607 VanDerWaalsContact C-N 3.3Å; T605-A607 PolarHBondContact O-N 3.12Å; A607-L614 HydrophobicContact CB-CD1 3.99Å |
| 608 | S | 93.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 53 Ų | 53 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | trans | -74.4 | 134.3 | -176.9 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | L604 T605 L614 | L604-S608 PolarHBondContact O-N 3.41Å; L604-S608 VanDerWaalsContact O-N 3.12Å; T605-S608 WeakPolarHBondContact O-CB 3.44Å; T605-S608 PolarHBondContact O-N 3.14Å; S608-L614 PolarHBondContact OG-N 3.47Å; S608-L614 VanDerWaalsContact OG-N 3.1Å | ||
| 609 | T | 90.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 20% | 0.202 | 32% | 0.315 | C | S | . | . | trans | -125.8 | 160.2 | 177.4 | 63 | 0 | 0 | 0 | 0 | 110.8 | H557 L611 S612 P613 | H557-T609 WeakPolarHBondContact CE1-CG2 3.24Å; T609-L611 PolarHBondContact O-N 3.45Å; T609-S612 PolarHBondContact N-O 3.12Å; T609-S612 CarbonylContact O-C 3.52Å; T609-S612 PolarHBondContact O-N 2.78Å; T609-S612 PolarHBondContact OG1-N 2.97Å; T609-S612 VanDerWaalsContact OG1-N 3.1Å; T609-P613 WeakPolarHBondContact O-CA 3.21Å; T609-P613 VanDerWaalsContact O-N 3.09Å | ||
| 610 | P | 87.4 | Confident | 94.1 | Very high | 137 Ų | 137 | 47.3 Ų | 47.3 | 89% | 0.89 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -58.6 | -30.4 | 173.9 | -26.1 | 35.6 | 0 | 0 | 0 | 113.8 | ||
| 611 | L | 80.9 | Confident | 94.1 | Very high | 158 Ų | 158 | 47.3 Ų | 47.3 | 83% | 0.827 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -79 | -30.4 | 179.1 | -68.7 | 171 | 0 | 0 | 0 | 113 | T609 | T609-L611 PolarHBondContact O-N 3.45Š|
| 612 | S | 84 | Confident | 94.1 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -136.2 | 76.6 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | T609 | T609-S612 PolarHBondContact N-O 3.12Å; T609-S612 CarbonylContact O-C 3.52Å; T609-S612 PolarHBondContact O-N 2.78Å; T609-S612 PolarHBondContact OG1-N 2.97Å; T609-S612 VanDerWaalsContact OG1-N 3.1Å |
| 613 | P | 90.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 48 Ų | 48 | 49% | 0.494 | 29% | 0.285 | S | S | . | . | trans | -72.2 | 132.3 | -178.6 | 28.9 | -34.3 | 0 | 0 | 0 | 110.8 | T609 T615 | T609-P613 WeakPolarHBondContact O-CA 3.21Å; T609-P613 VanDerWaalsContact O-N 3.09Å; P613-T615 VanDerWaalsContact C-N 3.28Å; P613-T615 PolarHBondContact O-N 3.12Å | ||
| 614 | L | 94.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | trans | -94.9 | 44.1 | 178.1 | -58.9 | 177.4 | 0 | 0 | 0 | 111.6 | W561 L604 A607 S608 F616 Q617 C618 | W561-L614 HydrophobicContact CE3-CD1 4.01Å; W561-L614 HydrophobicContact CZ3-CD1 4.28Å; L604-L614 HydrophobicContact CD1-CB 4.45Å; L604-L614 HydrophobicContact CD1-CD1 3.63Å; L604-L614 HydrophobicContact CG-CD1 4.47Å; A607-L614 HydrophobicContact CB-CD1 3.99Å; S608-L614 PolarHBondContact OG-N 3.47Å; S608-L614 VanDerWaalsContact OG-N 3.1Å; L614-F616 PolarHBondContact O-N 3.37Å; L614-Q617 VanDerWaalsContact C-OE1 3.26Å; L614-Q617 HydrophobicContact CB-CB 4.49Å; L614-Q617 PolarHBondContact O-N 3.35Å; L614-Q617 PolarHBondContact O-OE1 3.23Å; L614-C618 WeakPolarHBondContact O-CB 3.23Å; L614-C618 PolarHBondContact O-N 2.79Å; L614-C618 PolarHBondContact O-SG 2.87Å; L614-C618 VanDerWaalsContact O-SG 3.36Å | ||
| 615 | T | 93.1 | Very high | 94.2 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 53% | 0.534 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -49.2 | -170.2 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | P613 Q617 C618 E619 | P613-T615 VanDerWaalsContact C-N 3.28Å; P613-T615 PolarHBondContact O-N 3.12Å; T615-Q617 PolarHBondContact O-N 2.81Å; T615-C618 PolarHBondContact O-N 3.43Å; T615-E619 HydrophobicContact CG2-CG 4.4Å; T615-E619 WeakPolarHBondContact O-CG 3.35Å; T615-E619 PolarHBondContact O-N 2.73Å |
| 616 | F | 95.8 | Very high | 94.3 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 180 | 166.3 | -113.8 | 0 | 0 | 0 | 111.6 | L614 C618 E619 F620 L688 L692 T699 Y794 F795 | L614-F616 PolarHBondContact O-N 3.37Å; F616-C618 VanDerWaalsContact C-N 3.32Å; F616-C618 PolarHBondContact O-N 3.01Å; F616-E619 PolarHBondContact O-N 3.2Å; F616-F620 HydrophobicContact CD2-CB 4.4Å; F616-F620 HydrophobicContact CE2-CB 4.02Å; F616-F620 HydrophobicContact CE2-CD2 4.36Å; F616-F620 HydrophobicContact CE2-CG 4.37Å; F616-F620 HydrophobicContact CZ-CB 4.24Å; F616-F620 HydrophobicContact CZ-CD2 4.39Å; F616-F620 HydrophobicContact CZ-CG 4.27Å; F616-F620 WeakPolarHBondContact O-CB 3.12Å; F616-F620 PolarHBondContact O-N 3.44Å; F616-L688 HydrophobicContact CD2-CD1 4.16Å; F616-L688 HydrophobicContact CE2-CD2 4.35Å; F616-L692 HydrophobicContact CB-CD2 4.43Å; F616-L692 HydrophobicContact CD2-CD1 4.11Å; F616-L692 HydrophobicContact CD2-CD2 3.39Å; F616-L692 HydrophobicContact CD2-CG 4.34Å; F616-L692 HydrophobicContact CE2-CD1 3.7Å; F616-L692 HydrophobicContact CE2-CD2 3.8Å; F616-L692 HydrophobicContact CE2-CG 4.41Å; F616-L692 HydrophobicContact CG-CD2 4.01Å; F616-T699 HydrophobicContact CE1-CG2 4.49Å; F616-T699 HydrophobicContact CZ-CG2 3.87Å; F616-Y794 HydrophobicContact CB-CE1 4.09Å; F616-Y794 AromaticContact CD1-CD1 3.51Å; F616-Y794 HydrophobicContact CD1-CD1 3.51Å; F616-Y794 AromaticContact CD1-CE1 3.87Å; F616-Y794 HydrophobicContact CD1-CE1 3.87Å; F616-Y794 HydrophobicContact CD2-CD1 4.36Å; F616-Y794 HydrophobicContact CD2-CE1 4.34Å; F616-Y794 AromaticContact CE1-CD1 3.65Å; F616-Y794 HydrophobicContact CE1-CD1 3.65Å; F616-Y794 HydrophobicContact CE1-CE1 4.42Å; F616-Y794 HydrophobicContact CE2-CD1 4.46Å; F616-Y794 AromaticContact CG-CD1 3.88Å; F616-Y794 HydrophobicContact CG-CD1 3.88Å; F616-Y794 AromaticContact CG-CE1 3.81Å; F616-Y794 HydrophobicContact CG-CE1 3.81Å; F616-Y794 HydrophobicContact CZ-CD1 4.13Å; F616-F795 HydrophobicContact CE1-CB 4.18Å; F616-F795 HydrophobicContact CE1-CD2 4.02Å |
| 617 | Q | 97.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | -177.8 | -62.8 | 81 | -3 | 0 | 0 | 110.5 | W561 L604 L614 T615 I621 F795 | W561-Q617 HydrophobicContact CH2-CG 4.17Å; W561-Q617 HydrophobicContact CZ3-CG 4.12Å; L604-Q617 HydrophobicContact CD1-CB 4.35Å; L604-Q617 HydrophobicContact CD2-CB 3.76Å; L614-Q617 VanDerWaalsContact C-OE1 3.26Å; L614-Q617 HydrophobicContact CB-CB 4.49Å; L614-Q617 PolarHBondContact O-N 3.35Å; L614-Q617 PolarHBondContact O-OE1 3.23Å; T615-Q617 PolarHBondContact O-N 2.81Å; Q617-I621 WeakPolarHBondContact O-CB 3.46Å; Q617-I621 WeakPolarHBondContact O-CG1 3.43Å; Q617-I621 PolarHBondContact O-N 2.77Å; Q617-I621 VanDerWaalsContact O-N 3.1Å; Q617-F795 HydrophobicContact CB-CD2 4.34Å; Q617-F795 HydrophobicContact CB-CE2 3.79Å; Q617-F795 HydrophobicContact CB-CZ 3.94Å; Q617-F795 HydrophobicContact CG-CD1 4.29Å; Q617-F795 HydrophobicContact CG-CD2 3.9Å; Q617-F795 HydrophobicContact CG-CE1 4.18Å; Q617-F795 HydrophobicContact CG-CE2 3.79Å; Q617-F795 HydrophobicContact CG-CG 4.15Å; Q617-F795 HydrophobicContact CG-CZ 3.94Å; Q617-F795 WeakPolarHBondContact CG-O 3.44Å; Q617-F795 PolarHBondContact NE2-O 3.36Å |
| 618 | C | 97.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.6 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | I601 L614 T615 F616 K622 | I601-C618 HydrophobicContact CD1-CB 4.19Å; L614-C618 WeakPolarHBondContact O-CB 3.23Å; L614-C618 PolarHBondContact O-N 2.79Å; L614-C618 PolarHBondContact O-SG 2.87Å; L614-C618 VanDerWaalsContact O-SG 3.36Å; T615-C618 PolarHBondContact O-N 3.43Å; F616-C618 VanDerWaalsContact C-N 3.32Å; F616-C618 PolarHBondContact O-N 3.01Å; C618-K622 VanDerWaalsContact O-CG 3.23Å; C618-K622 WeakPolarHBondContact O-CG 3.34Å; C618-K622 PolarHBondContact O-N 3.46Å |
| 619 | E | 97.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | -178.6 | -67.8 | -54 | 122.3 | 0 | 0 | 112.1 | T615 F616 I621 K622 L623 L688 | T615-E619 HydrophobicContact CG2-CG 4.4Å; T615-E619 WeakPolarHBondContact O-CG 3.35Å; T615-E619 PolarHBondContact O-N 2.73Å; F616-E619 PolarHBondContact O-N 3.2Å; E619-I621 PolarHBondContact O-N 2.89Å; E619-K622 PolarHBondContact O-N 3.34Å; E619-K622 IonicContact OE1-NZ 3.96Å; E619-K622 PolarHBondContact OE1-NZ 3.1Å; E619-L623 WeakPolarHBondContact O-CG 3.36Å; E619-L623 PolarHBondContact O-N 2.79Å; E619-L688 HydrophobicContact CB-CD1 4.14Å |
| 620 | F | 98.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 177.3 | -178.5 | -104.7 | 0 | 0 | 0 | 112.3 | F616 L623 R624 L688 V703 L789 F791 F795 | F616-F620 HydrophobicContact CD2-CB 4.4Å; F616-F620 HydrophobicContact CE2-CB 4.02Å; F616-F620 HydrophobicContact CE2-CD2 4.36Å; F616-F620 HydrophobicContact CE2-CG 4.37Å; F616-F620 HydrophobicContact CZ-CB 4.24Å; F616-F620 HydrophobicContact CZ-CD2 4.39Å; F616-F620 HydrophobicContact CZ-CG 4.27Å; F616-F620 WeakPolarHBondContact O-CB 3.12Å; F616-F620 PolarHBondContact O-N 3.44Å; F620-L623 PolarHBondContact O-N 2.82Å; F620-R624 PolarHBondContact O-N 3.36Å; F620-L688 HydrophobicContact CB-CD2 4.24Å; F620-L688 HydrophobicContact CD2-CD2 4.17Å; F620-V703 HydrophobicContact CD2-CG2 4.42Å; F620-V703 HydrophobicContact CE2-CG2 4.31Å; F620-L789 HydrophobicContact CE1-CD2 4.08Å; F620-L789 HydrophobicContact CZ-CD1 4.23Å; F620-L789 HydrophobicContact CZ-CD2 4.34Å; F620-F791 HydrophobicContact CE1-CD1 4.3Å; F620-F791 HydrophobicContact CE1-CE1 4.29Å; F620-F795 HydrophobicContact CD1-CD2 4.21Å; F620-F795 HydrophobicContact CD1-CE2 4.08Å |
| 621 | I | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.2 | -38.4 | 179 | -65.9 | -67 | 0 | 0 | 0 | 111.6 | F568 Y597 I601 Q617 E619 L623 R624 I625 F791 F795 | F568-I621 HydrophobicContact CD1-CD1 4.2Å; F568-I621 HydrophobicContact CD1-CG2 4.33Å; F568-I621 HydrophobicContact CD2-CD1 4Å; F568-I621 HydrophobicContact CD2-CG1 4.42Å; F568-I621 HydrophobicContact CE1-CD1 4.2Å; F568-I621 HydrophobicContact CE1-CG1 4.21Å; F568-I621 HydrophobicContact CE1-CG2 3.61Å; F568-I621 HydrophobicContact CE2-CD1 4.03Å; F568-I621 HydrophobicContact CE2-CG1 3.93Å; F568-I621 HydrophobicContact CG-CD1 4.1Å; F568-I621 HydrophobicContact CZ-CB 4.35Å; F568-I621 HydrophobicContact CZ-CD1 4.12Å; F568-I621 HydrophobicContact CZ-CG1 3.82Å; F568-I621 HydrophobicContact CZ-CG2 3.87Å; Y597-I621 HydrophobicContact CD1-CG2 3.95Å; Y597-I621 HydrophobicContact CE1-CD1 3.99Å; Y597-I621 HydrophobicContact CE1-CG2 4.38Å; I601-I621 HydrophobicContact CB-CG2 4.29Å; I601-I621 HydrophobicContact CD1-CB 4.33Å; I601-I621 HydrophobicContact CD1-CG2 4.19Å; Q617-I621 WeakPolarHBondContact O-CB 3.46Å; Q617-I621 WeakPolarHBondContact O-CG1 3.43Å; Q617-I621 PolarHBondContact O-N 2.77Å; Q617-I621 VanDerWaalsContact O-N 3.1Å; E619-I621 PolarHBondContact O-N 2.89Å; I621-L623 VanDerWaalsContact C-N 3.35Å; I621-L623 PolarHBondContact O-N 2.82Å; I621-R624 PolarHBondContact O-N 3.33Å; I621-I625 HydrophobicContact CG2-CD1 4.02Å; I621-I625 HydrophobicContact CG2-CG1 4.45Å; I621-I625 WeakPolarHBondContact O-CG1 3.46Å; I621-I625 PolarHBondContact O-N 3.42Å; I621-F791 HydrophobicContact CD1-CE1 3.89Å; I621-F791 HydrophobicContact CD1-CZ 4.45Å; I621-F795 HydrophobicContact CD1-CE2 4.23Å; I621-F795 HydrophobicContact CD1-CZ 4.25Å; I621-F795 HydrophobicContact CG1-CE2 4.1Å; I621-F795 HydrophobicContact CG1-CZ 4.2Å |
| 622 | K | 98.2 | Very high | 96.2 | Very high | 86 Ų | 86 | 32.6 Ų | 32.6 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 173.6 | -73.7 | 170.9 | -169.1 | 170.6 | 0 | 111.4 | I601 C618 E619 R624 I625 D626 | I601-K622 HydrophobicContact CD1-CG 4.47Å; I601-K622 HydrophobicContact CG1-CG 4.47Å; C618-K622 VanDerWaalsContact O-CG 3.23Å; C618-K622 WeakPolarHBondContact O-CG 3.34Å; C618-K622 PolarHBondContact O-N 3.46Å; E619-K622 PolarHBondContact O-N 3.34Å; E619-K622 IonicContact OE1-NZ 3.96Å; E619-K622 PolarHBondContact OE1-NZ 3.1Å; K622-R624 VanDerWaalsContact C-N 3.29Å; K622-R624 PolarHBondContact O-N 2.66Å; K622-I625 WeakPolarHBondContact O-CB 3.31Å; K622-I625 PolarHBondContact O-N 3.36Å; K622-D626 VanDerWaalsContact O-CG 3.26Å; K622-D626 PolarHBondContact O-N 2.77Å |
| 623 | L | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 176.2 | -68.1 | 178.5 | 0 | 0 | 0 | 112.1 | E619 F620 I621 D626 T627 R684 Y685 L688 | E619-L623 WeakPolarHBondContact O-CG 3.36Å; E619-L623 PolarHBondContact O-N 2.79Å; F620-L623 PolarHBondContact O-N 2.82Å; I621-L623 VanDerWaalsContact C-N 3.35Å; I621-L623 PolarHBondContact O-N 2.82Å; L623-D626 PolarHBondContact O-N 3.04Å; L623-T627 WeakPolarHBondContact O-CB 3.23Å; L623-T627 PolarHBondContact O-N 2.85Å; L623-T627 PolarHBondContact O-OG1 2.82Å; L623-R684 HydrophobicContact CD2-CB 3.62Å; L623-Y685 HydrophobicContact CB-CD1 4.27Å; L623-Y685 HydrophobicContact CB-CE1 3.59Å; L623-Y685 HydrophobicContact CB-CE2 4.36Å; L623-Y685 HydrophobicContact CD1-CD1 3.55Å; L623-Y685 HydrophobicContact CD1-CE1 3.74Å; L623-Y685 HydrophobicContact CD1-CG 4.1Å; L623-Y685 HydrophobicContact CG-CE1 4.3Å; L623-Y685 PolarHBondContact O-OH 3.07Å; L623-L688 HydrophobicContact CD1-CB 4.13Å; L623-L688 HydrophobicContact CD1-CD2 3.73Å |
| 624 | R | 97.7 | Very high | 97 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.7 | -178.3 | 58.2 | 171.5 | 176.4 | -0.4 | 112 | E572 Y597 F620 I621 K622 T627 L628 L789 | E572-R624 IonicContact OE1-CZ 3.55Å; E572-R624 IonicContact OE1-NE 2.66Å; E572-R624 PolarHBondContact OE1-NE 3.01Å; E572-R624 VanDerWaalsContact OE1-NE 3.08Å; E572-R624 IonicContact OE1-NH2 3.88Å; E572-R624 PolarHBondContact OE1-NH2 3.33Å; E572-R624 IonicContact OE2-NH2 3.75Å; E572-R624 PolarHBondContact OE2-NH2 3.04Å; Y597-R624 HydrophobicContact CE1-CG 4.49Å; Y597-R624 HydrophobicContact CE2-CG 4.12Å; F620-R624 PolarHBondContact O-N 3.36Å; I621-R624 PolarHBondContact O-N 3.33Å; K622-R624 VanDerWaalsContact C-N 3.29Å; K622-R624 PolarHBondContact O-N 2.66Å; R624-T627 PolarHBondContact O-N 2.9Å; R624-L628 WeakPolarHBondContact O-CG 3.06Å; R624-L628 PolarHBondContact O-N 3.39Å; R624-L789 HydrophobicContact CG-CD2 4.14Å |
| 625 | I | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57 | -52 | 174.5 | -72.1 | 167 | 0 | 0 | 0 | 110.4 | L594 Y597 I601 I621 K622 T627 L628 Q629 | L594-I625 HydrophobicContact CD2-CG2 3.94Å; Y597-I625 HydrophobicContact CG-CG1 4.07Å; I601-I625 HydrophobicContact CB-CD1 4.34Å; I601-I625 HydrophobicContact CG2-CD1 4.09Å; I621-I625 HydrophobicContact CG2-CD1 4.02Å; I621-I625 HydrophobicContact CG2-CG1 4.45Å; I621-I625 WeakPolarHBondContact O-CG1 3.46Å; I621-I625 PolarHBondContact O-N 3.42Å; K622-I625 WeakPolarHBondContact O-CB 3.31Å; K622-I625 PolarHBondContact O-N 3.36Å; I625-T627 VanDerWaalsContact C-N 3.28Å; I625-T627 PolarHBondContact O-N 3.28Å; I625-L628 PolarHBondContact O-N 2.8Å; I625-L628 VanDerWaalsContact O-N 3.17Å; I625-Q629 WeakPolarHBondContact O-CG 3.44Å; I625-Q629 PolarHBondContact O-N 2.97Å |
| 626 | D | 98.5 | Very high | 96.8 | Very high | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.193 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | -178.1 | -64.6 | -5.1 | 0 | 0 | 0 | 111.2 | K622 L623 Q629 A630 L681 R684 | K622-D626 VanDerWaalsContact O-CG 3.26Å; K622-D626 PolarHBondContact O-N 2.77Å; L623-D626 PolarHBondContact O-N 3.04Å; D626-Q629 PolarHBondContact O-N 3.22Å; D626-A630 WeakPolarHBondContact O-CB 3.38Å; D626-A630 PolarHBondContact O-N 3.15Å; D626-L681 HydrophobicContact CB-CD2 3.8Å; D626-R684 VanDerWaalsContact CB-NH2 3.33Å; D626-R684 IonicContact OD2-CZ 2.81Å; D626-R684 VanDerWaalsContact OD2-CZ 3.22Å; D626-R684 IonicContact OD2-NH1 3.2Å; D626-R684 PolarHBondContact OD2-NH1 3.39Å; D626-R684 IonicContact OD2-NH2 3.51Å; D626-R684 PolarHBondContact OD2-NH2 2.72Å |
| 627 | T | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 174 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | L623 R624 I625 Q629 A630 L631 Y685 | L623-T627 WeakPolarHBondContact O-CB 3.23Å; L623-T627 PolarHBondContact O-N 2.85Å; L623-T627 PolarHBondContact O-OG1 2.82Å; R624-T627 PolarHBondContact O-N 2.9Å; I625-T627 VanDerWaalsContact C-N 3.28Å; I625-T627 PolarHBondContact O-N 3.28Å; T627-Q629 VanDerWaalsContact C-N 3.32Å; T627-Q629 PolarHBondContact O-N 2.96Å; T627-A630 PolarHBondContact O-N 3.08Å; T627-L631 HydrophobicContact CG2-CD1 4.15Å; T627-L631 VanDerWaalsContact O-CG 3.27Å; T627-L631 WeakPolarHBondContact O-CG 3.44Å; T627-L631 PolarHBondContact O-N 2.89Å; T627-Y685 PolarHBondContact OG1-OH 2.95Å |
| 628 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 177.7 | -69.7 | 176 | 0 | 0 | 0 | 112.2 | L575 I590 A593 L594 Y597 R624 I625 L631 S632 L785 | L575-L628 HydrophobicContact CD1-CD1 4.1Å; L575-L628 HydrophobicContact CD1-CD2 3.84Å; L575-L628 HydrophobicContact CD2-CD2 4.48Å; I590-L628 HydrophobicContact CG2-CB 4.19Å; A593-L628 HydrophobicContact CB-CD1 4.46Å; L594-L628 HydrophobicContact CD2-CB 3.85Å; L594-L628 HydrophobicContact CD2-CD1 4.5Å; L594-L628 HydrophobicContact CG-CB 4.31Å; Y597-L628 HydrophobicContact CD2-CD1 3.73Å; Y597-L628 HydrophobicContact CE2-CD1 3.63Å; R624-L628 WeakPolarHBondContact O-CG 3.06Å; R624-L628 PolarHBondContact O-N 3.39Å; I625-L628 PolarHBondContact O-N 2.8Å; I625-L628 VanDerWaalsContact O-N 3.17Å; L628-L631 HydrophobicContact CD2-CD1 4.42Å; L628-L631 PolarHBondContact O-N 3.15Å; L628-S632 PolarHBondContact O-N 3.42Å; L628-L785 HydrophobicContact CD2-CD2 3.48Å; L628-L785 VanDerWaalsContact CD2-CD2 3.48Å |
| 629 | Q | 97.6 | Very high | 95.6 | Very high | 91 Ų | 91 | 28 Ų | 28 | 43% | 0.425 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 173.3 | -71.5 | 176.6 | -12.8 | 0 | 0 | 111.7 | L594 I625 D626 T627 L631 S632 Q633 | L594-Q629 HydrophobicContact CD1-CG 3.86Å; L594-Q629 HydrophobicContact CD2-CG 3.78Å; I625-Q629 WeakPolarHBondContact O-CG 3.44Å; I625-Q629 PolarHBondContact O-N 2.97Å; D626-Q629 PolarHBondContact O-N 3.22Å; T627-Q629 VanDerWaalsContact C-N 3.32Å; T627-Q629 PolarHBondContact O-N 2.96Å; Q629-L631 PolarHBondContact O-N 2.96Å; Q629-S632 PolarHBondContact O-N 2.97Å; Q629-Q633 WeakPolarHBondContact O-CB 3.22Å; Q629-Q633 PolarHBondContact O-N 3.46Å |
| 630 | A | 97.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D626 T627 Q633 L634 E677 F678 L681 | D626-A630 WeakPolarHBondContact O-CB 3.38Å; D626-A630 PolarHBondContact O-N 3.15Å; T627-A630 PolarHBondContact O-N 3.08Å; A630-Q633 PolarHBondContact O-N 3.48Å; A630-L634 WeakPolarHBondContact O-CB 3.34Å; A630-L634 PolarHBondContact O-N 2.82Å; A630-E677 HydrophobicContact CB-CG 4.13Å; A630-F678 HydrophobicContact CB-CD1 4.26Å; A630-F678 HydrophobicContact CB-CE1 3.65Å; A630-F678 HydrophobicContact CB-CE2 4.35Å; A630-F678 HydrophobicContact CB-CZ 3.7Å; A630-L681 HydrophobicContact CB-CD1 3.67Å |
| 631 | L | 96.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 174.7 | -67.4 | 170.1 | 0 | 0 | 0 | 111.9 | T627 L628 Q629 Q633 L634 I635 F678 V781 L785 | T627-L631 HydrophobicContact CG2-CD1 4.15Å; T627-L631 VanDerWaalsContact O-CG 3.27Å; T627-L631 WeakPolarHBondContact O-CG 3.44Å; T627-L631 PolarHBondContact O-N 2.89Å; L628-L631 HydrophobicContact CD2-CD1 4.42Å; L628-L631 PolarHBondContact O-N 3.15Å; Q629-L631 PolarHBondContact O-N 2.96Å; L631-Q633 VanDerWaalsContact C-N 3.33Å; L631-Q633 PolarHBondContact O-N 3.25Å; L631-L634 WeakPolarHBondContact O-CB 3.23Å; L631-L634 PolarHBondContact O-N 3.07Å; L631-I635 PolarHBondContact O-N 3.35Å; L631-F678 HydrophobicContact CD2-CE1 4.04Å; L631-F678 HydrophobicContact CD2-CZ 3.86Å; L631-F678 HydrophobicContact CG-CE1 4.31Å; L631-F678 HydrophobicContact CG-CZ 4.27Å; L631-V781 HydrophobicContact CB-CG1 3.98Å; L631-V781 HydrophobicContact CD2-CB 4.39Å; L631-V781 HydrophobicContact CD2-CG1 4.04Å; L631-V781 HydrophobicContact CD2-CG2 3.8Å; L631-V781 HydrophobicContact CG-CG1 4.42Å; L631-L785 HydrophobicContact CD1-CD2 3.94Å |
| 632 | S | 95.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | L628 Q629 L634 I635 C636 | L628-S632 PolarHBondContact O-N 3.42Å; Q629-S632 PolarHBondContact O-N 2.97Å; S632-L634 VanDerWaalsContact C-N 3.3Å; S632-L634 PolarHBondContact O-N 3.34Å; S632-I635 PolarHBondContact O-N 2.94Å; S632-C636 PolarHBondContact O-N 3.27Å |
| 633 | Q | 94.8 | Very high | 91.2 | Very high | 106 Ų | 106 | 36.4 Ų | 36.4 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.9 | -176.1 | 58.1 | 30.4 | 0 | 0 | 111.1 | Q629 A630 L631 C636 T637 | Q629-Q633 WeakPolarHBondContact O-CB 3.22Å; Q629-Q633 PolarHBondContact O-N 3.46Å; A630-Q633 PolarHBondContact O-N 3.48Å; L631-Q633 VanDerWaalsContact C-N 3.33Å; L631-Q633 PolarHBondContact O-N 3.25Å; Q633-C636 WeakPolarHBondContact O-CB 3.45Å; Q633-C636 PolarHBondContact O-N 3Å; Q633-T637 WeakPolarHBondContact O-CG2 3.11Å; Q633-T637 PolarHBondContact O-N 3.36Å; Q633-T637 PolarHBondContact O-OG1 3.39Å |
| 634 | L | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.5 | -179.2 | 61.1 | 0 | 0 | 0 | 112.5 | A630 L631 S632 C636 T637 C638 M671 C674 F678 V713 I717 L777 V781 | A630-L634 WeakPolarHBondContact O-CB 3.34Å; A630-L634 PolarHBondContact O-N 2.82Å; L631-L634 WeakPolarHBondContact O-CB 3.23Å; L631-L634 PolarHBondContact O-N 3.07Å; S632-L634 VanDerWaalsContact C-N 3.3Å; S632-L634 PolarHBondContact O-N 3.34Å; L634-C636 VanDerWaalsContact C-N 3.32Å; L634-C636 PolarHBondContact O-N 3.38Å; L634-T637 WeakPolarHBondContact CA-OG1 3.25Å; L634-T637 PolarHBondContact O-N 2.99Å; L634-T637 PolarHBondContact O-OG1 2.91Å; L634-C638 WeakPolarHBondContact O-CB 3.47Å; L634-C638 PolarHBondContact O-N 3.48Å; L634-C638 PolarHBondContact O-SG 3.2Å; L634-M671 HydrophobicContact CD1-CE 4.43Å; L634-M671 HydrophobicContact CD1-SD 3.89Å; L634-C674 HydrophobicContact CD1-CB 4.35Å; L634-F678 HydrophobicContact CB-CE2 4.33Å; L634-F678 HydrophobicContact CD2-CE2 4.01Å; L634-F678 HydrophobicContact CD2-CZ 4.36Å; L634-V713 HydrophobicContact CD2-CG1 3.48Å; L634-V713 VanDerWaalsContact CD2-CG1 3.48Å; L634-I717 HydrophobicContact CD1-CD1 3.88Å; L634-I717 HydrophobicContact CD1-CG1 4.25Å; L634-I717 HydrophobicContact CD2-CD1 4.43Å; L634-L777 HydrophobicContact CD2-CD2 4.4Å; L634-V781 HydrophobicContact CD2-CG2 3.79Å; L634-V781 HydrophobicContact CG-CG2 4.49Å |
| 635 | I | 93.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.4 | -64.2 | 169.1 | 0 | 0 | 0 | 110.3 | A586 M587 I590 L631 S632 C638 N639 V781 | A586-I635 HydrophobicContact CB-CD1 4.25Å; M587-I635 HydrophobicContact CG-CB 4.2Å; M587-I635 HydrophobicContact CG-CD1 4.4Å; M587-I635 HydrophobicContact CG-CG2 3.62Å; M587-I635 HydrophobicContact SD-CB 4.13Å; M587-I635 HydrophobicContact SD-CG2 3.88Å; I590-I635 HydrophobicContact CD1-CD1 3.99Å; L631-I635 PolarHBondContact O-N 3.35Å; S632-I635 PolarHBondContact O-N 2.94Å; I635-C638 PolarHBondContact O-N 3.48Å; I635-N639 PolarHBondContact O-N 3.46Å; I635-N639 PolarHBondContact O-ND2 3.24Å; I635-V781 HydrophobicContact CD1-CG1 3.79Å; I635-V781 HydrophobicContact CG1-CG1 4.18Å |
| 636 | C | 91.4 | Very high | 86.6 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.5 | -95 | 0 | 0 | 0 | 0 | 112.6 | M587 S632 Q633 L634 N639 S640 | M587-C636 VanDerWaalsContact SD-SG 3.67Å; S632-C636 PolarHBondContact O-N 3.27Å; Q633-C636 WeakPolarHBondContact O-CB 3.45Å; Q633-C636 PolarHBondContact O-N 3Å; L634-C636 VanDerWaalsContact C-N 3.32Å; L634-C636 PolarHBondContact O-N 3.38Å; C636-N639 PolarHBondContact O-N 2.89Å; C636-S640 PolarHBondContact O-N 3.35Å |
| 637 | T | 90.2 | Very high | 84.9 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70 | -35.4 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 112 | Q633 L634 N639 S640 Q670 | Q633-T637 WeakPolarHBondContact O-CG2 3.11Å; Q633-T637 PolarHBondContact O-N 3.36Å; Q633-T637 PolarHBondContact O-OG1 3.39Å; L634-T637 WeakPolarHBondContact CA-OG1 3.25Å; L634-T637 PolarHBondContact O-N 2.99Å; L634-T637 PolarHBondContact O-OG1 2.91Å; T637-N639 VanDerWaalsContact C-N 3.3Å; T637-N639 PolarHBondContact O-N 3.35Å; T637-S640 PolarHBondContact O-N 3.03Å; T637-S640 VanDerWaalsContact O-N 3.15Å; T637-S640 PolarHBondContact O-OG 3.26Å; T637-Q670 HydrophobicContact CG2-CB 3.87Å |
| 638 | C | 89.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 171.5 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | L634 I635 S640 L641 T774 | L634-C638 WeakPolarHBondContact O-CB 3.47Å; L634-C638 PolarHBondContact O-N 3.48Å; L634-C638 PolarHBondContact O-SG 3.2Å; I635-C638 PolarHBondContact O-N 3.48Å; C638-S640 VanDerWaalsContact C-N 3.28Å; C638-S640 PolarHBondContact O-N 3.45Å; C638-L641 WeakPolarHBondContact O-CB 3.42Å; C638-L641 PolarHBondContact O-N 3.1Å; C638-T774 HydrophobicContact CB-CG2 4.25Å |
| 639 | N | 85.3 | Confident | 81.7 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.8 | -24.1 | 176.7 | -80.1 | -45.6 | 0 | 0 | 0 | 113.6 | I635 C636 T637 L641 K642 | I635-N639 PolarHBondContact O-N 3.46Å; I635-N639 PolarHBondContact O-ND2 3.24Å; C636-N639 PolarHBondContact O-N 2.89Å; T637-N639 VanDerWaalsContact C-N 3.3Å; T637-N639 PolarHBondContact O-N 3.35Å; N639-L641 PolarHBondContact O-N 2.97Å; N639-K642 WeakPolarHBondContact O-CB 3.32Å; N639-K642 PolarHBondContact O-N 3.3Å |
| 640 | S | 81.3 | Confident | 80.3 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -70.5 | -12.5 | 176.9 | 85.7 | 0 | 0 | 0 | 0 | 113.2 | C636 T637 C638 K642 T643 S644 Q670 | C636-S640 PolarHBondContact O-N 3.35Å; T637-S640 PolarHBondContact O-N 3.03Å; T637-S640 VanDerWaalsContact O-N 3.15Å; T637-S640 PolarHBondContact O-OG 3.26Å; C638-S640 VanDerWaalsContact C-N 3.28Å; C638-S640 PolarHBondContact O-N 3.45Å; S640-K642 PolarHBondContact O-N 3.41Å; S640-T643 PolarHBondContact O-N 3.22Å; S640-T643 VanDerWaalsContact O-N 3.1Å; S640-T643 PolarHBondContact O-OG1 3.24Å; S640-S644 PolarHBondContact O-N 3.46Å; S640-S644 PolarHBondContact O-OG 3Å; S640-S644 VanDerWaalsContact O-OG 3.06Å; S640-Q670 PolarHBondContact OG-OE1 2.89Å |
| 641 | L | 76.1 | Confident | 78.9 | Confident | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -58.8 | -37.8 | 170.1 | -170.9 | 64.7 | 0 | 0 | 0 | 111.2 | C638 N639 T643 S644 I667 T774 | C638-L641 WeakPolarHBondContact O-CB 3.42Å; C638-L641 PolarHBondContact O-N 3.1Å; N639-L641 PolarHBondContact O-N 2.97Å; L641-T643 PolarHBondContact O-N 3.1Å; L641-T643 VanDerWaalsContact O-N 3.17Å; L641-S644 WeakPolarHBondContact O-CB 3.44Å; L641-S644 PolarHBondContact O-N 2.66Å; L641-S644 VanDerWaalsContact O-N 3.14Å; L641-I667 HydrophobicContact CB-CD1 3.65Å; L641-I667 HydrophobicContact CD1-CD1 3.87Å; L641-I667 HydrophobicContact CD1-CG2 4.31Å; L641-I667 HydrophobicContact CG-CD1 4.28Å; L641-T774 HydrophobicContact CB-CG2 4.27Å; L641-T774 HydrophobicContact CD2-CG2 3.71Å |
| 642 | K | 70.8 | Confident | 77.5 | Confident | 168 Ų | 168 | 54.8 Ų | 54.8 | 73% | 0.73 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.2 | -21.6 | 179 | -63.7 | 175.5 | -179.2 | 165.2 | 0 | 112.8 | N639 S640 | N639-K642 WeakPolarHBondContact O-CB 3.32Å; N639-K642 PolarHBondContact O-N 3.3Å; S640-K642 PolarHBondContact O-N 3.41Å |
| 643 | T | 71.4 | Confident | 76.1 | Confident | 119 Ų | 119 | 57.2 Ų | 57.2 | 73% | 0.73 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -108 | 4.3 | -179 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | S640 L641 | S640-T643 PolarHBondContact O-N 3.22Å; S640-T643 VanDerWaalsContact O-N 3.1Å; S640-T643 PolarHBondContact O-OG1 3.24Å; L641-T643 PolarHBondContact O-N 3.1Å; L641-T643 VanDerWaalsContact O-N 3.17Å |
| 644 | S | 67.3 | Low | 74.9 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -77.7 | 144.9 | 177.7 | -69 | 0 | 0 | 0 | 0 | 111.6 | S640 L641 | S640-S644 PolarHBondContact O-N 3.46Å; S640-S644 PolarHBondContact O-OG 3Å; S640-S644 VanDerWaalsContact O-OG 3.06Å; L641-S644 WeakPolarHBondContact O-CB 3.44Å; L641-S644 PolarHBondContact O-N 2.66Å; L641-S644 VanDerWaalsContact O-N 3.14Å |
| 645 | P | 64.6 | Low | 73.7 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 31% | 0.312 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 146.2 | -179 | 25 | -32.5 | 0 | 0 | 0 | 111 | I649 | P645-I649 HydrophobicContact CB-CB 4.18Å; P645-I649 HydrophobicContact CB-CG2 4.1Å |
| 646 | P | 66.4 | Low | 72.6 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 152.2 | -178 | -27.7 | 32.9 | 0 | 0 | 0 | 113.6 | A648 I649 A650 | P646-A648 PolarHBondContact O-N 2.88Å; P646-I649 PolarHBondContact O-N 2.9Å; P646-A650 PolarHBondContact O-N 3.46Å |
| 647 | P | 62.1 | Low | 71.6 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -50.9 | -32.2 | -176.4 | -29.8 | 35.1 | 0 | 0 | 0 | 115.2 | I649 A650 T651 | P647-I649 PolarHBondContact O-N 3.45Å; P647-A650 PolarHBondContact O-N 3.13Å; P647-T651 WeakPolarHBondContact O-CB 3.37Å; P647-T651 PolarHBondContact O-N 3.02Å; P647-T651 PolarHBondContact O-OG1 3.43Å |
| 648 | A | 63.8 | Low | 70.1 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P646 T652 | P646-A648 PolarHBondContact O-N 2.88Å; A648-T652 PolarHBondContact O-N 3.19Å; A648-T652 PolarHBondContact O-OG1 2.83Å |
| 649 | I | 64.8 | Low | 68.9 | Low | 90 Ų | 90 | 70.5 Ų | 70.5 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -77.9 | -43 | 178.3 | -57.4 | -177.3 | 0 | 0 | 0 | 109.9 | P645 P646 P647 T651 T652 I653 | P645-I649 HydrophobicContact CB-CB 4.18Å; P645-I649 HydrophobicContact CB-CG2 4.1Å; P646-I649 PolarHBondContact O-N 2.9Å; P647-I649 PolarHBondContact O-N 3.45Å; I649-T651 VanDerWaalsContact C-N 3.35Å; I649-T651 PolarHBondContact O-N 3.01Å; I649-T652 PolarHBondContact O-N 3.34Å; I649-I653 HydrophobicContact CG2-CD1 3.89Å; I649-I653 VanDerWaalsContact O-CG1 3.31Å; I649-I653 WeakPolarHBondContact O-CG1 3.48Å; I649-I653 PolarHBondContact O-N 3.15Å |
| 650 | A | 67.4 | Low | 67.7 | Low | 2 Ų | 2 | 72.8 Ų | 72.8 | 2% | 0.017 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P646 P647 T652 I653 A654 R663 | P646-A650 PolarHBondContact O-N 3.46Å; P647-A650 PolarHBondContact O-N 3.13Å; A650-T652 PolarHBondContact O-N 3.43Å; A650-I653 PolarHBondContact O-N 3.27Å; A650-A654 WeakPolarHBondContact O-CB 3.42Å; A650-A654 PolarHBondContact O-N 3.37Å; A650-R663 WeakPolarHBondContact CB-O 3.42Å |
| 651 | T | 68.2 | Low | 66.7 | Low | 52 Ų | 52 | 74.8 Ų | 74.8 | 32% | 0.319 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 177 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | P647 I649 A654 L655 | P647-T651 WeakPolarHBondContact O-CB 3.37Å; P647-T651 PolarHBondContact O-N 3.02Å; P647-T651 PolarHBondContact O-OG1 3.43Å; I649-T651 VanDerWaalsContact C-N 3.35Å; I649-T651 PolarHBondContact O-N 3.01Å; T651-A654 PolarHBondContact O-N 3.14Å; T651-L655 HydrophobicContact CG2-CD1 4.13Å; T651-L655 WeakPolarHBondContact O-CG 3.43Å; T651-L655 PolarHBondContact O-N 3.46Å |
| 652 | T | 67 | Low | 66.2 | Low | 86 Ų | 86 | 76.2 Ų | 76.2 | 53% | 0.528 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 177 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | A648 I649 A650 L655 T656 | A648-T652 PolarHBondContact O-N 3.19Å; A648-T652 PolarHBondContact O-OG1 2.83Å; I649-T652 PolarHBondContact O-N 3.34Å; A650-T652 PolarHBondContact O-N 3.43Å; T652-L655 PolarHBondContact O-N 3.42Å; T652-T656 WeakPolarHBondContact O-CB 3.39Å; T652-T656 PolarHBondContact O-N 3.28Å; T652-T656 VanDerWaalsContact O-N 3.08Å; T652-T656 PolarHBondContact O-OG1 3.38Å |
| 653 | I | 67.6 | Low | 65.7 | Low | 81 Ų | 81 | 73.9 Ų | 73.9 | 42% | 0.415 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.6 | -67.9 | 166.1 | 0 | 0 | 0 | 111 | I649 A650 T656 S657 | I649-I653 HydrophobicContact CG2-CD1 3.89Å; I649-I653 VanDerWaalsContact O-CG1 3.31Å; I649-I653 WeakPolarHBondContact O-CG1 3.48Å; I649-I653 PolarHBondContact O-N 3.15Å; A650-I653 PolarHBondContact O-N 3.27Å; I653-T656 PolarHBondContact O-N 2.76Å; I653-S657 WeakPolarHBondContact O-CB 3.45Å; I653-S657 PolarHBondContact O-N 2.88Å; I653-S657 PolarHBondContact O-OG 3.43Å; I653-S657 VanDerWaalsContact O-OG 3.05Å |
| 654 | A | 69.4 | Low | 65.3 | Low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A650 T651 T656 S657 G658 N659 Q662 R663 | A650-A654 WeakPolarHBondContact O-CB 3.42Å; A650-A654 PolarHBondContact O-N 3.37Å; T651-A654 PolarHBondContact O-N 3.14Å; A654-T656 VanDerWaalsContact C-N 3.28Å; A654-T656 PolarHBondContact O-N 2.93Å; A654-S657 PolarHBondContact O-N 2.77Å; A654-S657 PolarHBondContact O-OG 3.47Å; A654-G658 PolarHBondContact O-N 2.98Å; A654-N659 PolarHBondContact O-N 2.96Å; A654-Q662 HydrophobicContact CB-CB 3.92Å; A654-R663 HydrophobicContact CB-CB 4.27Å; A654-R663 HydrophobicContact CB-CG 3.43Å; A654-R663 VanDerWaalsContact CB-CG 3.43Å |
| 655 | L | 70.1 | Confident | 65.4 | Low | 119 Ų | 119 | 69.2 Ų | 69.2 | 62% | 0.623 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.4 | -34.5 | 174.8 | -74.5 | 164.2 | 0 | 0 | 0 | 111.9 | T651 T652 | T651-L655 HydrophobicContact CG2-CD1 4.13Å; T651-L655 WeakPolarHBondContact O-CG 3.43Å; T651-L655 PolarHBondContact O-N 3.46Å; T652-L655 PolarHBondContact O-N 3.42Å |
| 656 | T | 70.6 | Confident | 65.7 | Low | 119 Ų | 119 | 76.9 Ų | 76.9 | 73% | 0.73 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -78.6 | -31.9 | -179.1 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | T652 I653 A654 | T652-T656 WeakPolarHBondContact O-CB 3.39Å; T652-T656 PolarHBondContact O-N 3.28Å; T652-T656 VanDerWaalsContact O-N 3.08Å; T652-T656 PolarHBondContact O-OG1 3.38Å; I653-T656 PolarHBondContact O-N 2.76Å; A654-T656 VanDerWaalsContact C-N 3.28Å; A654-T656 PolarHBondContact O-N 2.93Å |
| 657 | S | 69.2 | Low | 66.2 | Low | 60 Ų | 60 | 73.1 Ų | 73.1 | 42% | 0.42 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -91 | -12.5 | -179 | 66.3 | 0 | 0 | 0 | 0 | 114.4 | I653 A654 N659 Q662 | I653-S657 WeakPolarHBondContact O-CB 3.45Å; I653-S657 PolarHBondContact O-N 2.88Å; I653-S657 PolarHBondContact O-OG 3.43Å; I653-S657 VanDerWaalsContact O-OG 3.05Å; A654-S657 PolarHBondContact O-N 2.77Å; A654-S657 PolarHBondContact O-OG 3.47Å; S657-N659 PolarHBondContact O-N 2.91Å; S657-N659 PolarHBondContact OG-N 2.65Å; S657-Q662 VanDerWaalsContact OG-CD 3.27Å; S657-Q662 PolarHBondContact OG-OE1 2.99Å |
| 658 | G | 59.9 | Low | 67 | Low | 74 Ų | 74 | 68.8 Ų | 68.8 | 76% | 0.763 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 13.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A654 | A654-G658 PolarHBondContact O-N 2.98Š|
| 659 | N | 63.9 | Low | 67.8 | Low | 74 Ų | 74 | 71.5 Ų | 71.5 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | trans | -117 | 101.5 | -178.3 | -172.1 | -10.8 | 0 | 0 | 0 | 110.5 | A654 S657 V661 Q662 | A654-N659 PolarHBondContact O-N 2.96Å; S657-N659 PolarHBondContact O-N 2.91Å; S657-N659 PolarHBondContact OG-N 2.65Å; N659-V661 PolarHBondContact O-N 3.25Å; N659-V661 VanDerWaalsContact O-N 3.11Å; N659-V661 WeakPolarHBondContact OD1-CB 3.31Å; N659-V661 PolarHBondContact OD1-N 3.25Å; N659-Q662 HydrophobicContact CB-CG 4.2Å; N659-Q662 WeakPolarHBondContact O-CB 3.36Å; N659-Q662 PolarHBondContact O-N 2.62Å | ||
| 660 | D | 60.2 | Low | 68.9 | Low | 102 Ų | 102 | 71.1 Ų | 71.1 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -60.3 | -23 | -177.4 | -84.5 | -33.4 | 0 | 0 | 0 | 113.6 | Q662 R663 | D660-Q662 PolarHBondContact O-N 3.31Å; D660-R663 VanDerWaalsContact O-CB 3.28Å; D660-R663 WeakPolarHBondContact O-CB 3.34Å; D660-R663 VanDerWaalsContact O-CG 3.28Å; D660-R663 WeakPolarHBondContact O-CG 3.49Å; D660-R663 PolarHBondContact O-N 2.85Å; D660-R663 IonicContact OD1-CZ 3.72Å; D660-R663 IonicContact OD1-NE 2.67Å; D660-R663 PolarHBondContact OD1-NE 2.8Å; D660-R663 IonicContact OD1-NH2 3.18Å; D660-R663 PolarHBondContact OD1-NH2 2.92Å |
| 661 | V | 60.8 | Low | 70 | Confident | 63 Ų | 63 | 71 Ų | 71 | 38% | 0.382 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.5 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | N659 R663 S668 | N659-V661 PolarHBondContact O-N 3.25Å; N659-V661 VanDerWaalsContact O-N 3.11Å; N659-V661 WeakPolarHBondContact OD1-CB 3.31Å; N659-V661 PolarHBondContact OD1-N 3.25Å; V661-R663 PolarHBondContact O-N 3.47Å; V661-S668 PolarHBondContact O-OG 3.18Å |
| 662 | Q | 64.5 | Low | 71 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -75.3 | -9.2 | 175.4 | -64.8 | -172.5 | -6.8 | 0 | 0 | 113.4 | A654 S657 N659 D660 C664 G665 | A654-Q662 HydrophobicContact CB-CB 3.92Å; S657-Q662 VanDerWaalsContact OG-CD 3.27Å; S657-Q662 PolarHBondContact OG-OE1 2.99Å; N659-Q662 HydrophobicContact CB-CG 4.2Å; N659-Q662 WeakPolarHBondContact O-CB 3.36Å; N659-Q662 PolarHBondContact O-N 2.62Å; D660-Q662 PolarHBondContact O-N 3.31Å; Q662-C664 PolarHBondContact O-N 3.12Å; Q662-G665 PolarHBondContact O-N 2.97Å |
| 663 | R | 61.5 | Low | 72.3 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -61.6 | -24.7 | 173.5 | -69 | -175.3 | -170.2 | -164.7 | 5 | 112 | A650 A654 D660 V661 | A650-R663 WeakPolarHBondContact CB-O 3.42Å; A654-R663 HydrophobicContact CB-CB 4.27Å; A654-R663 HydrophobicContact CB-CG 3.43Å; A654-R663 VanDerWaalsContact CB-CG 3.43Å; D660-R663 VanDerWaalsContact O-CB 3.28Å; D660-R663 WeakPolarHBondContact O-CB 3.34Å; D660-R663 VanDerWaalsContact O-CG 3.28Å; D660-R663 WeakPolarHBondContact O-CG 3.49Å; D660-R663 PolarHBondContact O-N 2.85Å; D660-R663 IonicContact OD1-CZ 3.72Å; D660-R663 IonicContact OD1-NE 2.67Å; D660-R663 PolarHBondContact OD1-NE 2.8Å; D660-R663 IonicContact OD1-NH2 3.18Å; D660-R663 PolarHBondContact OD1-NH2 2.92Å; V661-R663 PolarHBondContact O-N 3.47Å |
| 664 | C | 62.3 | Low | 73.6 | Confident | 35 Ų | 35 | 70 Ų | 70 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -90.3 | 1.3 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | Q662 I667 S668 V769 | Q662-C664 PolarHBondContact O-N 3.12Å; C664-I667 WeakPolarHBondContact O-CG2 3.25Å; C664-S668 WeakPolarHBondContact CB-OG 3.45Å; C664-V769 HydrophobicContact CB-CB 4.34Å; C664-V769 HydrophobicContact CB-CG2 4.19Å; C664-V769 VanDerWaalsContact SG-CG2 3.54Å |
| 665 | G | 68.6 | Low | 74.8 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | trans | 86.6 | -162.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q662 I667 | Q662-G665 PolarHBondContact O-N 2.97Å; G665-I667 PolarHBondContact O-N 3.14Å | ||
| 666 | R | 71.2 | Confident | 76.1 | Confident | 208 Ų | 208 | 68.3 Ų | 68.3 | 79% | 0.785 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.8 | -178.7 | -68.7 | -177.1 | -179.6 | 178.7 | 0.3 | 113.4 | S668 M669 | R666-S668 VanDerWaalsContact C-N 3.31Å; R666-S668 PolarHBondContact O-N 2.84Å; R666-M669 PolarHBondContact O-N 2.55Å |
| 667 | I | 77.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -34.7 | -178.6 | -164.5 | 169.6 | 0 | 0 | 0 | 112.3 | L641 C664 G665 M669 Q670 M671 T774 | L641-I667 HydrophobicContact CB-CD1 3.65Å; L641-I667 HydrophobicContact CD1-CD1 3.87Å; L641-I667 HydrophobicContact CD1-CG2 4.31Å; L641-I667 HydrophobicContact CG-CD1 4.28Å; C664-I667 WeakPolarHBondContact O-CG2 3.25Å; G665-I667 PolarHBondContact O-N 3.14Å; I667-M669 VanDerWaalsContact C-N 3.31Å; I667-M669 PolarHBondContact O-N 2.85Å; I667-Q670 PolarHBondContact O-N 2.87Å; I667-Q670 VanDerWaalsContact O-N 3.12Å; I667-M671 HydrophobicContact CD1-CE 3.83Å; I667-M671 HydrophobicContact CG1-CE 3.85Å; I667-M671 HydrophobicContact CG1-CG 3.95Å; I667-M671 WeakPolarHBondContact O-CB 3.31Å; I667-M671 VanDerWaalsContact O-CG 3.23Å; I667-M671 WeakPolarHBondContact O-CG 3.47Å; I667-M671 PolarHBondContact O-N 3.37Å; I667-T774 HydrophobicContact CD1-CG2 4.28Å |
| 668 | S | 78 | Confident | 78.7 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | -178.6 | -43.3 | 0 | 0 | 0 | 0 | 112.9 | V661 C664 R666 M671 K672 L722 | V661-S668 PolarHBondContact O-OG 3.18Å; C664-S668 WeakPolarHBondContact CB-OG 3.45Å; R666-S668 VanDerWaalsContact C-N 3.31Å; R666-S668 PolarHBondContact O-N 2.84Å; S668-M671 PolarHBondContact O-N 2.94Å; S668-K672 WeakPolarHBondContact O-CB 3.49Å; S668-K672 PolarHBondContact O-N 2.84Å; S668-L722 WeakPolarHBondContact O-CD2 3.22Å |
| 669 | M | 81.9 | Confident | 80.5 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.8 | -41.1 | 176.9 | -175.3 | 64.2 | -173.2 | 0 | 0 | 111.2 | R666 I667 M671 K672 V673 | R666-M669 PolarHBondContact O-N 2.55Å; I667-M669 VanDerWaalsContact C-N 3.31Å; I667-M669 PolarHBondContact O-N 2.85Å; M669-M671 VanDerWaalsContact C-N 3.35Å; M669-K672 PolarHBondContact O-N 2.83Å; M669-V673 WeakPolarHBondContact O-CG2 3.31Å; M669-V673 PolarHBondContact O-N 2.63Å; M669-V673 VanDerWaalsContact O-N 3.14Å |
| 670 | Q | 87.6 | Confident | 82.2 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 176.3 | -66.4 | -177.9 | -19.3 | 0 | 0 | 111.6 | T637 S640 I667 V673 C674 | T637-Q670 HydrophobicContact CG2-CB 3.87Å; S640-Q670 PolarHBondContact OG-OE1 2.89Å; I667-Q670 PolarHBondContact O-N 2.87Å; I667-Q670 VanDerWaalsContact O-N 3.12Å; Q670-V673 WeakPolarHBondContact O-CB 3.27Å; Q670-V673 PolarHBondContact O-N 2.88Å; Q670-C674 PolarHBondContact O-N 2.94Å; Q670-C674 PolarHBondContact O-SG 3.15Å |
| 671 | M | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.6 | -71.9 | -64.2 | 179.1 | 0 | 0 | 111.9 | L634 I667 S668 M669 V673 C674 M675 I717 I721 L722 L777 | L634-M671 HydrophobicContact CD1-CE 4.43Å; L634-M671 HydrophobicContact CD1-SD 3.89Å; I667-M671 HydrophobicContact CD1-CE 3.83Å; I667-M671 HydrophobicContact CG1-CE 3.85Å; I667-M671 HydrophobicContact CG1-CG 3.95Å; I667-M671 WeakPolarHBondContact O-CB 3.31Å; I667-M671 VanDerWaalsContact O-CG 3.23Å; I667-M671 WeakPolarHBondContact O-CG 3.47Å; I667-M671 PolarHBondContact O-N 3.37Å; S668-M671 PolarHBondContact O-N 2.94Å; M669-M671 VanDerWaalsContact C-N 3.35Å; M671-V673 VanDerWaalsContact C-N 3.33Å; M671-V673 PolarHBondContact O-N 3.03Å; M671-C674 PolarHBondContact O-N 3.06Å; M671-M675 WeakPolarHBondContact O-CB 3.31Å; M671-M675 PolarHBondContact O-N 3.38Å; M671-I717 HydrophobicContact CB-CG2 3.86Å; M671-I717 HydrophobicContact SD-CG2 4.45Å; M671-I721 HydrophobicContact CB-CG2 4.26Å; M671-I721 HydrophobicContact CE-CD1 3.84Å; M671-I721 HydrophobicContact CG-CD1 3.74Å; M671-I721 HydrophobicContact CG-CG2 4.18Å; M671-I721 HydrophobicContact SD-CD1 3.8Å; M671-L722 HydrophobicContact CB-CD2 4.44Å; M671-L777 HydrophobicContact CE-CD1 4.37Å; M671-L777 HydrophobicContact SD-CD1 4.48Å |
| 672 | K | 89.8 | Confident | 85.8 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 172 | -173.2 | 175.1 | -178.9 | 175.9 | 0 | 111.9 | S668 M669 M675 D676 L722 | S668-K672 WeakPolarHBondContact O-CB 3.49Å; S668-K672 PolarHBondContact O-N 2.84Å; M669-K672 PolarHBondContact O-N 2.83Å; K672-M675 HydrophobicContact CG-CE 4.17Å; K672-M675 WeakPolarHBondContact O-CB 3.45Å; K672-M675 PolarHBondContact O-N 2.9Å; K672-D676 PolarHBondContact O-N 3.49Å; K672-L722 HydrophobicContact CB-CD1 4.24Å; K672-L722 HydrophobicContact CB-CD2 4.48Å |
| 673 | V | 93.3 | Very high | 87.4 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | M669 Q670 M671 M675 D676 E677 | M669-V673 WeakPolarHBondContact O-CG2 3.31Å; M669-V673 PolarHBondContact O-N 2.63Å; M669-V673 VanDerWaalsContact O-N 3.14Å; Q670-V673 WeakPolarHBondContact O-CB 3.27Å; Q670-V673 PolarHBondContact O-N 2.88Å; M671-V673 VanDerWaalsContact C-N 3.33Å; M671-V673 PolarHBondContact O-N 3.03Å; V673-M675 PolarHBondContact O-N 3.37Å; V673-D676 PolarHBondContact O-N 3.44Å; V673-E677 WeakPolarHBondContact O-CB 3.18Å; V673-E677 PolarHBondContact O-N 2.81Å |
| 674 | C | 95.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 174.8 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | L634 Q670 M671 E677 F678 I717 | L634-C674 HydrophobicContact CD1-CB 4.35Å; Q670-C674 PolarHBondContact O-N 2.94Å; Q670-C674 PolarHBondContact O-SG 3.15Å; M671-C674 PolarHBondContact O-N 3.06Å; C674-E677 WeakPolarHBondContact O-CB 3.41Å; C674-E677 PolarHBondContact O-N 2.95Å; C674-F678 WeakPolarHBondContact O-CD2 3.38Å; C674-F678 PolarHBondContact O-N 2.88Å; C674-I717 HydrophobicContact CB-CD1 4.08Å |
| 675 | M | 95.2 | Very high | 90.8 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 177.8 | 179.7 | -163.6 | 68.5 | 0 | 0 | 111.7 | M671 K672 V673 E677 F678 R679 S714 I717 E718 L722 | M671-M675 WeakPolarHBondContact O-CB 3.31Å; M671-M675 PolarHBondContact O-N 3.38Å; K672-M675 HydrophobicContact CG-CE 4.17Å; K672-M675 WeakPolarHBondContact O-CB 3.45Å; K672-M675 PolarHBondContact O-N 2.9Å; V673-M675 PolarHBondContact O-N 3.37Å; M675-E677 VanDerWaalsContact C-N 3.34Å; M675-F678 PolarHBondContact O-N 2.6Å; M675-R679 WeakPolarHBondContact O-CG 3.43Å; M675-R679 PolarHBondContact O-N 2.77Å; M675-S714 VanDerWaalsContact CG-OG 3.28Å; M675-S714 WeakPolarHBondContact CG-OG 3.25Å; M675-S714 PolarHBondContact O-OG 3.15Å; M675-I717 HydrophobicContact CB-CB 4.38Å; M675-I717 HydrophobicContact CB-CD1 4.44Å; M675-I717 HydrophobicContact CB-CG2 4.01Å; M675-E718 HydrophobicContact SD-CB 4.03Å; M675-E718 HydrophobicContact SD-CG 4.39Å; M675-L722 HydrophobicContact CE-CD1 4.02Å; M675-L722 HydrophobicContact SD-CD1 3.61Å |
| 676 | D | 96.3 | Very high | 92.2 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 178.6 | -70.1 | -25.5 | 0 | 0 | 0 | 111.1 | K672 V673 R679 G680 | K672-D676 PolarHBondContact O-N 3.49Å; V673-D676 PolarHBondContact O-N 3.44Å; D676-R679 PolarHBondContact O-N 3.32Å; D676-G680 PolarHBondContact O-N 3.46Å |
| 677 | E | 97.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 174 | -172.6 | 64 | -158.1 | 0 | 0 | 111.8 | A630 V673 C674 M675 R679 G680 L681 | A630-E677 HydrophobicContact CB-CG 4.13Å; V673-E677 WeakPolarHBondContact O-CB 3.18Å; V673-E677 PolarHBondContact O-N 2.81Å; C674-E677 WeakPolarHBondContact O-CB 3.41Å; C674-E677 PolarHBondContact O-N 2.95Å; M675-E677 VanDerWaalsContact C-N 3.34Å; E677-R679 PolarHBondContact O-N 3.43Å; E677-G680 PolarHBondContact O-N 2.89Å; E677-L681 HydrophobicContact CG-CD1 4.45Å; E677-L681 PolarHBondContact O-N 3.14Å |
| 678 | F | 98.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -34.8 | 176.2 | -76.9 | -63.9 | 0 | 0 | 0 | 113 | A630 L631 L634 C674 M675 L681 A682 C710 V713 I717 | A630-F678 HydrophobicContact CB-CD1 4.26Å; A630-F678 HydrophobicContact CB-CE1 3.65Å; A630-F678 HydrophobicContact CB-CE2 4.35Å; A630-F678 HydrophobicContact CB-CZ 3.7Å; L631-F678 HydrophobicContact CD2-CE1 4.04Å; L631-F678 HydrophobicContact CD2-CZ 3.86Å; L631-F678 HydrophobicContact CG-CE1 4.31Å; L631-F678 HydrophobicContact CG-CZ 4.27Å; L634-F678 HydrophobicContact CB-CE2 4.33Å; L634-F678 HydrophobicContact CD2-CE2 4.01Å; L634-F678 HydrophobicContact CD2-CZ 4.36Å; C674-F678 WeakPolarHBondContact O-CD2 3.38Å; C674-F678 PolarHBondContact O-N 2.88Å; M675-F678 PolarHBondContact O-N 2.6Å; F678-L681 HydrophobicContact CD1-CD1 4.02Å; F678-L681 HydrophobicContact CE1-CD1 4.4Å; F678-L681 WeakPolarHBondContact O-CB 3.01Å; F678-L681 PolarHBondContact O-N 3.48Å; F678-A682 WeakPolarHBondContact O-CB 3.22Å; F678-A682 PolarHBondContact O-N 3.26Å; F678-C710 HydrophobicContact CD1-CB 4.27Å; F678-V713 HydrophobicContact CD1-CG1 4.48Å; F678-V713 HydrophobicContact CD2-CB 4.35Å; F678-V713 HydrophobicContact CD2-CG1 3.66Å; F678-V713 HydrophobicContact CE1-CG1 4.27Å; F678-V713 HydrophobicContact CE2-CB 4.4Å; F678-V713 HydrophobicContact CE2-CG1 3.43Å; F678-V713 VanDerWaalsContact CE2-CG1 3.43Å; F678-V713 HydrophobicContact CG-CB 4.43Å; F678-V713 HydrophobicContact CG-CG1 4.21Å; F678-V713 HydrophobicContact CZ-CB 4.49Å; F678-V713 HydrophobicContact CZ-CG1 3.76Å; F678-I717 HydrophobicContact CD2-CD1 4.13Å; F678-I717 HydrophobicContact CE2-CD1 4.36Å |
| 679 | R | 97.7 | Very high | 95.2 | Very high | 95 Ų | 95 | 48.3 Ų | 48.3 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 172 | -71.8 | 177.7 | 179 | 173.7 | -5.1 | 111.3 | M675 D676 E677 A682 A683 S714 E718 | M675-R679 WeakPolarHBondContact O-CG 3.43Å; M675-R679 PolarHBondContact O-N 2.77Å; D676-R679 PolarHBondContact O-N 3.32Å; E677-R679 PolarHBondContact O-N 3.43Å; R679-A682 PolarHBondContact O-N 3.24Å; R679-A683 PolarHBondContact O-N 3.06Å; R679-S714 VanDerWaalsContact CG-OG 3.25Å; R679-S714 WeakPolarHBondContact CG-OG 3.41Å; R679-S714 PolarHBondContact NE-OG 2.71Å; R679-E718 IonicContact CZ-OE1 2.83Å; R679-E718 IonicContact NH2-OE1 3.95Å; R679-E718 PolarHBondContact NH2-OE1 3.3Å; R679-E718 IonicContact NH2-OE2 3.7Å; R679-E718 PolarHBondContact NH2-OE2 3.02Å |
| 680 | G | 98.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D676 E677 A682 A683 R684 | D676-G680 PolarHBondContact O-N 3.46Å; E677-G680 PolarHBondContact O-N 2.89Å; G680-A682 PolarHBondContact O-N 3.24Å; G680-A683 PolarHBondContact O-N 3.02Å; G680-R684 WeakPolarHBondContact O-CG 3.32Å; G680-R684 PolarHBondContact O-N 2.95Å |
| 681 | L | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.7 | -48 | 172.6 | -83.7 | 161.6 | 0 | 0 | 0 | 112.1 | D626 A630 E677 F678 A683 R684 Y685 C710 | D626-L681 HydrophobicContact CB-CD2 3.8Å; A630-L681 HydrophobicContact CB-CD1 3.67Å; E677-L681 HydrophobicContact CG-CD1 4.45Å; E677-L681 PolarHBondContact O-N 3.14Å; F678-L681 HydrophobicContact CD1-CD1 4.02Å; F678-L681 HydrophobicContact CE1-CD1 4.4Å; F678-L681 WeakPolarHBondContact O-CB 3.01Å; F678-L681 PolarHBondContact O-N 3.48Å; L681-A683 VanDerWaalsContact C-N 3.33Å; L681-A683 PolarHBondContact O-N 3.18Å; L681-R684 PolarHBondContact O-N 3.24Å; L681-Y685 VanDerWaalsContact O-CD2 3.29Å; L681-Y685 WeakPolarHBondContact O-CD2 3.43Å; L681-Y685 PolarHBondContact O-N 3.2Å; L681-C710 HydrophobicContact CB-CB 4.43Å |
| 682 | A | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | F678 R679 G680 Y685 A686 Q707 C710 L711 | F678-A682 WeakPolarHBondContact O-CB 3.22Å; F678-A682 PolarHBondContact O-N 3.26Å; R679-A682 PolarHBondContact O-N 3.24Å; G680-A682 PolarHBondContact O-N 3.24Å; A682-Y685 PolarHBondContact O-N 3.27Å; A682-A686 PolarHBondContact O-N 2.92Å; A682-Q707 HydrophobicContact CB-CG 4.09Å; A682-Q707 WeakPolarHBondContact O-CG 3.4Å; A682-Q707 PolarHBondContact O-NE2 3.16Å; A682-C710 HydrophobicContact CB-CB 4.14Å; A682-L711 HydrophobicContact CB-CD1 4.48Å; A682-L711 HydrophobicContact CB-CD2 3.57Å; A682-L711 HydrophobicContact CB-CG 3.68Å |
| 683 | A | 98.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | R679 G680 L681 Y685 A686 D687 | R679-A683 PolarHBondContact O-N 3.06Å; G680-A683 PolarHBondContact O-N 3.02Å; L681-A683 VanDerWaalsContact C-N 3.33Å; L681-A683 PolarHBondContact O-N 3.18Å; A683-Y685 PolarHBondContact O-N 3.37Å; A683-A686 VanDerWaalsContact O-CB 3.29Å; A683-A686 WeakPolarHBondContact O-CB 3.33Å; A683-A686 PolarHBondContact O-N 2.75Å; A683-A686 VanDerWaalsContact O-N 3.13Å; A683-D687 PolarHBondContact O-N 2.89Å |
| 684 | R | 98.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 35 Ų | 35 | 34% | 0.343 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.2 | -35.4 | 177.2 | -64.7 | -174.8 | -58.5 | 163.5 | 2 | 113.2 | L623 D626 G680 L681 A686 D687 L688 | L623-R684 HydrophobicContact CD2-CB 3.62Å; D626-R684 VanDerWaalsContact CB-NH2 3.33Å; D626-R684 IonicContact OD2-CZ 2.81Å; D626-R684 VanDerWaalsContact OD2-CZ 3.22Å; D626-R684 IonicContact OD2-NH1 3.2Å; D626-R684 PolarHBondContact OD2-NH1 3.39Å; D626-R684 IonicContact OD2-NH2 3.51Å; D626-R684 PolarHBondContact OD2-NH2 2.72Å; G680-R684 WeakPolarHBondContact O-CG 3.32Å; G680-R684 PolarHBondContact O-N 2.95Å; L681-R684 PolarHBondContact O-N 3.24Å; R684-A686 VanDerWaalsContact C-N 3.32Å; R684-D687 PolarHBondContact O-N 2.78Å; R684-L688 WeakPolarHBondContact O-CB 3.44Å; R684-L688 PolarHBondContact O-N 2.86Å |
| 685 | Y | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 170.2 | -80.3 | -63.7 | 0 | 0 | 0 | 111.9 | L623 T627 L681 A682 A683 L688 H689 V703 Q706 Q707 | L623-Y685 HydrophobicContact CB-CD1 4.27Å; L623-Y685 HydrophobicContact CB-CE1 3.59Å; L623-Y685 HydrophobicContact CB-CE2 4.36Å; L623-Y685 HydrophobicContact CD1-CD1 3.55Å; L623-Y685 HydrophobicContact CD1-CE1 3.74Å; L623-Y685 HydrophobicContact CD1-CG 4.1Å; L623-Y685 HydrophobicContact CG-CE1 4.3Å; L623-Y685 PolarHBondContact O-OH 3.07Å; T627-Y685 PolarHBondContact OG1-OH 2.95Å; L681-Y685 VanDerWaalsContact O-CD2 3.29Å; L681-Y685 WeakPolarHBondContact O-CD2 3.43Å; L681-Y685 PolarHBondContact O-N 3.2Å; A682-Y685 PolarHBondContact O-N 3.27Å; A683-Y685 PolarHBondContact O-N 3.37Å; Y685-L688 PolarHBondContact O-N 2.91Å; Y685-H689 WeakPolarHBondContact O-CB 3.31Å; Y685-H689 PolarHBondContact O-N 2.88Å; Y685-V703 HydrophobicContact CD1-CG1 4.22Å; Y685-Q706 HydrophobicContact CD1-CB 4.31Å; Y685-Q706 HydrophobicContact CE1-CB 3.93Å; Y685-Q706 HydrophobicContact CE2-CB 4.34Å; Y685-Q707 HydrophobicContact CG-CB 4.48Å |
| 686 | A | 97 | Very high | 96.5 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 21% | 0.207 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A682 A683 R684 H689 Q690 | A682-A686 PolarHBondContact O-N 2.92Å; A683-A686 VanDerWaalsContact O-CB 3.29Å; A683-A686 WeakPolarHBondContact O-CB 3.33Å; A683-A686 PolarHBondContact O-N 2.75Å; A683-A686 VanDerWaalsContact O-N 3.13Å; R684-A686 VanDerWaalsContact C-N 3.32Å; A686-H689 WeakPolarHBondContact O-CB 3.45Å; A686-H689 PolarHBondContact O-N 2.92Å; A686-Q690 WeakPolarHBondContact O-CG 3.17Å; A686-Q690 PolarHBondContact O-N 2.88Å |
| 687 | D | 96.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 37.2 Ų | 37.2 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.5 | -43 | 175.3 | -77.2 | -34.3 | 0 | 0 | 0 | 111.4 | A683 R684 H689 Q690 S691 K919 | A683-D687 PolarHBondContact O-N 2.89Å; R684-D687 PolarHBondContact O-N 2.78Å; D687-H689 VanDerWaalsContact C-N 3.34Å; D687-H689 PolarHBondContact O-N 2.81Å; D687-Q690 PolarHBondContact O-N 3.45Å; D687-S691 PolarHBondContact O-N 2.9Å; D687-S691 VanDerWaalsContact O-N 3.09Å; D687-K919 IonicContact OD1-NZ 2.64Å; D687-K919 PolarHBondContact OD1-NZ 2.83Å |
| 688 | L | 97.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 172.8 | -177.2 | 62.9 | 0 | 0 | 0 | 110 | F616 E619 F620 L623 R684 Y685 Q690 S691 L692 | F616-L688 HydrophobicContact CD2-CD1 4.16Å; F616-L688 HydrophobicContact CE2-CD2 4.35Å; E619-L688 HydrophobicContact CB-CD1 4.14Å; F620-L688 HydrophobicContact CB-CD2 4.24Å; F620-L688 HydrophobicContact CD2-CD2 4.17Å; L623-L688 HydrophobicContact CD1-CB 4.13Å; L623-L688 HydrophobicContact CD1-CD2 3.73Å; R684-L688 WeakPolarHBondContact O-CB 3.44Å; R684-L688 PolarHBondContact O-N 2.86Å; Y685-L688 PolarHBondContact O-N 2.91Å; L688-Q690 PolarHBondContact O-N 2.81Å; L688-S691 WeakPolarHBondContact O-CB 3.43Å; L688-S691 PolarHBondContact O-N 2.83Å; L688-S691 PolarHBondContact O-OG 2.78Å; L688-L692 HydrophobicContact CG-CD1 4.15Å; L688-L692 VanDerWaalsContact O-CG 3.23Å; L688-L692 WeakPolarHBondContact O-CG 3.33Å; L688-L692 PolarHBondContact O-N 2.83Å |
| 689 | H | 96.7 | Very high | 96.1 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.7 | -49.8 | 177.2 | -177.8 | -81 | 0 | 0 | 0 | 111.8 | Y685 A686 D687 S691 L692 V703 E704 W918 | Y685-H689 WeakPolarHBondContact O-CB 3.31Å; Y685-H689 PolarHBondContact O-N 2.88Å; A686-H689 WeakPolarHBondContact O-CB 3.45Å; A686-H689 PolarHBondContact O-N 2.92Å; D687-H689 VanDerWaalsContact C-N 3.34Å; D687-H689 PolarHBondContact O-N 2.81Å; H689-S691 PolarHBondContact O-N 2.78Å; H689-L692 WeakPolarHBondContact O-CB 3.18Å; H689-L692 PolarHBondContact O-N 2.89Å; H689-V703 HydrophobicContact CB-CG1 3.98Å; H689-E704 IonicContact NE2-OE1 3.5Å; H689-W918 AromaticContact CE1-CH2 3.84Å; H689-W918 VanDerWaalsContact O-CZ3 3.22Å; H689-W918 WeakPolarHBondContact O-CZ3 3.44Å |
| 690 | Q | 94.9 | Very high | 96 | Very high | 69 Ų | 69 | 30.5 Ų | 30.5 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65 | -20.8 | 179 | -71.3 | 178.1 | -6.2 | 0 | 0 | 114 | A686 D687 L688 L692 W918 K919 | A686-Q690 WeakPolarHBondContact O-CG 3.17Å; A686-Q690 PolarHBondContact O-N 2.88Å; D687-Q690 PolarHBondContact O-N 3.45Å; L688-Q690 PolarHBondContact O-N 2.81Å; Q690-L692 VanDerWaalsContact C-N 3.3Å; Q690-W918 CarbonylContact O-C 3.57Å; Q690-W918 VanDerWaalsContact O-CA 3.24Å; Q690-W918 WeakPolarHBondContact O-CA 3.45Å; Q690-W918 WeakPolarHBondContact O-CB 3.39Å; Q690-K919 HydrophobicContact CB-CB 4.47Å; Q690-K919 HydrophobicContact CB-CD 4.46Å; Q690-K919 HydrophobicContact CB-CG 4.34Å; Q690-K919 PolarHBondContact O-N 3.01Å |
| 691 | S | 94.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 32% | 0.315 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.7 | 174.1 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | D687 L688 H689 F693 T920 | D687-S691 PolarHBondContact O-N 2.9Å; D687-S691 VanDerWaalsContact O-N 3.09Å; L688-S691 WeakPolarHBondContact O-CB 3.43Å; L688-S691 PolarHBondContact O-N 2.83Å; L688-S691 PolarHBondContact O-OG 2.78Å; H689-S691 PolarHBondContact O-N 2.78Å; S691-F693 PolarHBondContact O-N 2.91Å; S691-T920 PolarHBondContact O-OG1 3.33Å |
| 692 | L | 94.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -101.4 | 44.7 | -170.3 | -66 | 171.7 | 0 | 0 | 0 | 114.1 | F616 L688 H689 Q690 D694 A695 L700 V703 Y794 | F616-L692 HydrophobicContact CB-CD2 4.43Å; F616-L692 HydrophobicContact CD2-CD1 4.11Å; F616-L692 HydrophobicContact CD2-CD2 3.39Å; F616-L692 HydrophobicContact CD2-CG 4.34Å; F616-L692 HydrophobicContact CE2-CD1 3.7Å; F616-L692 HydrophobicContact CE2-CD2 3.8Å; F616-L692 HydrophobicContact CE2-CG 4.41Å; F616-L692 HydrophobicContact CG-CD2 4.01Å; L688-L692 HydrophobicContact CG-CD1 4.15Å; L688-L692 VanDerWaalsContact O-CG 3.23Å; L688-L692 WeakPolarHBondContact O-CG 3.33Å; L688-L692 PolarHBondContact O-N 2.83Å; H689-L692 WeakPolarHBondContact O-CB 3.18Å; H689-L692 PolarHBondContact O-N 2.89Å; Q690-L692 VanDerWaalsContact C-N 3.3Å; L692-D694 PolarHBondContact O-N 2.86Å; L692-A695 HydrophobicContact CB-CB 3.81Å; L692-A695 HydrophobicContact CD2-CB 4.47Å; L692-A695 WeakPolarHBondContact O-CB 3.31Å; L692-A695 PolarHBondContact O-N 3.02Å; L692-L700 HydrophobicContact CB-CD2 3.76Å; L692-V703 HydrophobicContact CD1-CG2 4.09Å; L692-Y794 HydrophobicContact CD2-CD1 4.04Å; L692-Y794 HydrophobicContact CD2-CE1 3.46Å; L692-Y794 VanDerWaalsContact CD2-CE1 3.46Å | ||
| 693 | F | 94.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.6 | 178.3 | 179.1 | -100.8 | 0 | 0 | 0 | 113.7 | S691 T802 R845 I847 V910 D912 W918 T920 | S691-F693 PolarHBondContact O-N 2.91Å; F693-T802 HydrophobicContact CD1-CG2 4.16Å; F693-T802 HydrophobicContact CE1-CG2 3.92Å; F693-T802 WeakPolarHBondContact CE1-OG1 3.13Å; F693-R845 HydrophobicContact CE2-CB 3.91Å; F693-R845 HydrophobicContact CZ-CB 3.97Å; F693-R845 VanDerWaalsContact O-CZ 3.27Å; F693-R845 PolarHBondContact O-NE 2.96Å; F693-R845 PolarHBondContact O-NH2 3.12Å; F693-I847 HydrophobicContact CE1-CG1 4.22Å; F693-I847 HydrophobicContact CZ-CG1 3.83Å; F693-V910 HydrophobicContact CD2-CG1 3.96Å; F693-V910 HydrophobicContact CE2-CG1 3.6Å; F693-V910 HydrophobicContact CZ-CG1 3.94Å; F693-D912 HydrophobicContact CE2-CB 4.15Å; F693-W918 HydrophobicContact CB-CB 4.13Å; F693-W918 HydrophobicContact CB-CD2 4.32Å; F693-W918 HydrophobicContact CB-CE3 4.41Å; F693-W918 HydrophobicContact CB-CG 4.21Å; F693-W918 HydrophobicContact CD2-CB 4.1Å; F693-W918 AromaticContact CD2-CD1 3.63Å; F693-W918 HydrophobicContact CD2-CD2 4.11Å; F693-W918 AromaticContact CD2-CG 3.67Å; F693-W918 HydrophobicContact CD2-CG 3.67Å; F693-W918 AromaticContact CD2-NE1 4Å; F693-W918 HydrophobicContact CG-CG 4.44Å; F693-T920 HydrophobicContact CB-CG2 4.02Å; F693-T920 VanDerWaalsContact CB-OG1 3.29Å; F693-T920 WeakPolarHBondContact CB-OG1 3.3Å |
| 694 | D | 93.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.4 | -176.6 | -72.2 | -32.3 | 0 | 0 | 0 | 114.5 | L692 Y794 K798 Q800 S801 T802 | L692-D694 PolarHBondContact O-N 2.86Å; D694-Y794 HydrophobicContact CB-CE2 3.96Å; D694-K798 WeakPolarHBondContact OD2-CE 3.41Å; D694-K798 IonicContact OD2-NZ 3.19Å; D694-K798 PolarHBondContact OD2-NZ 2.97Å; D694-Q800 HydrophobicContact CB-CB 4.46Å; D694-Q800 WeakPolarHBondContact CB-O 3.26Å; D694-Q800 WeakPolarHBondContact OD1-CG 3.19Å; D694-S801 WeakPolarHBondContact OD2-CA 3.43Å; D694-T802 VanDerWaalsContact OD1-CB 3.28Å; D694-T802 WeakPolarHBondContact OD1-CB 3.25Å; D694-T802 PolarHBondContact OD1-N 3.16Å; D694-T802 PolarHBondContact OD1-OG1 3.05Å; D694-T802 PolarHBondContact OD2-N 3.07Å |
| 695 | A | 94.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -82.1 | 140.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | L692 T699 L700 Y794 R845 | L692-A695 HydrophobicContact CB-CB 3.81Å; L692-A695 HydrophobicContact CD2-CB 4.47Å; L692-A695 WeakPolarHBondContact O-CB 3.31Å; L692-A695 PolarHBondContact O-N 3.02Å; A695-T699 HydrophobicContact CB-CG2 4.02Å; A695-L700 HydrophobicContact CB-CD2 4.19Å; A695-L700 HydrophobicContact CB-CG 4.36Å; A695-Y794 HydrophobicContact CB-CD1 3.81Å; A695-Y794 HydrophobicContact CB-CD2 3.89Å; A695-Y794 HydrophobicContact CB-CE1 4.14Å; A695-Y794 HydrophobicContact CB-CE2 4.17Å; A695-Y794 HydrophobicContact CB-CG 3.69Å; A695-R845 PolarHBondContact O-NH2 3Å |
| 696 | D | 94 | Very high | 95.5 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | trans | -63 | 157 | 176.2 | 61.3 | -48.8 | 0 | 0 | 0 | 112.5 | A698 T699 L700 R793 Y794 F844 | D696-A698 VanDerWaalsContact C-N 3.26Å; D696-A698 PolarHBondContact O-N 3.26Å; D696-T699 WeakPolarHBondContact O-CB 3.31Å; D696-T699 PolarHBondContact O-N 3.36Å; D696-T699 WeakPolarHBondContact OD1-CB 3.31Å; D696-T699 PolarHBondContact OD1-OG1 3.14Å; D696-L700 PolarHBondContact O-N 3.36Å; D696-R793 WeakPolarHBondContact OD2-CB 3.48Å; D696-Y794 PolarHBondContact OD1-N 2.93Å; D696-F844 HydrophobicContact CB-CE1 4.05Å; D696-F844 HydrophobicContact CB-CE2 4.1Å; D696-F844 HydrophobicContact CB-CZ 3.73Å | ||
| 697 | Y | 92.8 | Very high | 95.5 | Very high | 121 Ų | 121 | 27.5 Ų | 27.5 | 48% | 0.475 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -53 | -41.3 | -176.7 | 177.2 | -103.1 | 0 | 0 | 0 | 113 | T699 L700 R701 | Y697-T699 VanDerWaalsContact C-N 3.28Å; Y697-T699 PolarHBondContact O-N 3.4Å; Y697-L700 PolarHBondContact O-N 3.28Å; Y697-R701 WeakPolarHBondContact O-CB 3.41Å; Y697-R701 PolarHBondContact O-N 2.98Å |
| 698 | A | 93.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 32% | 0.322 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.8 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D696 N702 | D696-A698 VanDerWaalsContact C-N 3.26Å; D696-A698 PolarHBondContact O-N 3.26Å; A698-N702 WeakPolarHBondContact O-CB 3.49Å; A698-N702 PolarHBondContact O-N 2.93Å |
| 699 | T | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.1 | -48.1 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | F616 A695 D696 Y697 R701 N702 V703 Q792 Y794 | F616-T699 HydrophobicContact CE1-CG2 4.49Å; F616-T699 HydrophobicContact CZ-CG2 3.87Å; A695-T699 HydrophobicContact CB-CG2 4.02Å; D696-T699 WeakPolarHBondContact O-CB 3.31Å; D696-T699 PolarHBondContact O-N 3.36Å; D696-T699 WeakPolarHBondContact OD1-CB 3.31Å; D696-T699 PolarHBondContact OD1-OG1 3.14Å; Y697-T699 VanDerWaalsContact C-N 3.28Å; Y697-T699 PolarHBondContact O-N 3.4Å; T699-R701 VanDerWaalsContact C-N 3.34Å; T699-R701 PolarHBondContact O-N 3.39Å; T699-N702 WeakPolarHBondContact O-CB 3.48Å; T699-N702 PolarHBondContact O-N 3.38Å; T699-V703 WeakPolarHBondContact O-CG2 3.35Å; T699-V703 PolarHBondContact O-N 3.41Å; T699-Q792 HydrophobicContact CG2-CB 4.4Å; T699-Q792 WeakPolarHBondContact OG1-CB 3.08Å; T699-Y794 HydrophobicContact CG2-CD1 4.33Å; T699-Y794 HydrophobicContact CG2-CG 4.42Å; T699-Y794 VanDerWaalsContact OG1-CB 3.23Å; T699-Y794 WeakPolarHBondContact OG1-CB 3.5Å; T699-Y794 PolarHBondContact OG1-N 3.17Å |
| 700 | L | 95.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 177.8 | -66.9 | 177 | 0 | 0 | 0 | 110.8 | L692 A695 D696 Y697 N702 V703 E704 W918 | L692-L700 HydrophobicContact CB-CD2 3.76Å; A695-L700 HydrophobicContact CB-CD2 4.19Å; A695-L700 HydrophobicContact CB-CG 4.36Å; D696-L700 PolarHBondContact O-N 3.36Å; Y697-L700 PolarHBondContact O-N 3.28Å; L700-N702 VanDerWaalsContact C-N 3.29Å; L700-N702 PolarHBondContact O-N 3.47Å; L700-V703 PolarHBondContact O-N 3.17Å; L700-V703 VanDerWaalsContact O-N 3.08Å; L700-E704 WeakPolarHBondContact O-CG 3.38Å; L700-E704 PolarHBondContact O-N 3.23Å; L700-W918 HydrophobicContact CD1-CH2 3.81Å; L700-W918 HydrophobicContact CD1-CZ3 4.44Å; L700-W918 HydrophobicContact CD2-CH2 4.12Å; L700-W918 HydrophobicContact CD2-CZ3 3.97Å |
| 701 | R | 95.4 | Very high | 95.7 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 11% | 0.106 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -38.4 | 177.7 | -172.3 | 57.9 | 178 | 147.4 | 8.3 | 112.7 | Y697 T699 E704 L705 E745 | Y697-R701 WeakPolarHBondContact O-CB 3.41Å; Y697-R701 PolarHBondContact O-N 2.98Å; T699-R701 VanDerWaalsContact C-N 3.34Å; T699-R701 PolarHBondContact O-N 3.39Å; R701-E704 VanDerWaalsContact CD-OE2 3.27Å; R701-E704 WeakPolarHBondContact CD-OE2 3.45Å; R701-E704 IonicContact CZ-OE2 2.89Å; R701-E704 IonicContact NE-OE2 2.63Å; R701-E704 IonicContact NH1-OE2 3.12Å; R701-E704 PolarHBondContact NH1-OE2 2.9Å; R701-E704 PolarHBondContact O-N 2.79Å; R701-L705 HydrophobicContact CG-CD1 4.39Å; R701-L705 VanDerWaalsContact O-CG 3.25Å; R701-L705 WeakPolarHBondContact O-CG 3.27Å; R701-L705 PolarHBondContact O-N 3.07Å; R701-E745 IonicContact CZ-OE1 3.25Å; R701-E745 VanDerWaalsContact CZ-OE1 3.29Å; R701-E745 IonicContact NE-OE1 3.25Å; R701-E745 PolarHBondContact NE-OE1 3.12Å; R701-E745 IonicContact NH2-OE1 2.62Å; R701-E745 PolarHBondContact NH2-OE1 3.19Å |
| 702 | N | 96 | Very high | 95.7 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.8 | -176.1 | 28.3 | 0 | 0 | 0 | 112.3 | A698 T699 L700 E704 L705 Q706 Y744 S790 Q792 | A698-N702 WeakPolarHBondContact O-CB 3.49Å; A698-N702 PolarHBondContact O-N 2.93Å; T699-N702 WeakPolarHBondContact O-CB 3.48Å; T699-N702 PolarHBondContact O-N 3.38Å; L700-N702 VanDerWaalsContact C-N 3.29Å; L700-N702 PolarHBondContact O-N 3.47Å; N702-E704 VanDerWaalsContact C-N 3.33Å; N702-E704 PolarHBondContact O-N 3.29Å; N702-L705 PolarHBondContact O-N 3.47Å; N702-Q706 WeakPolarHBondContact O-CG 3.24Å; N702-Q706 PolarHBondContact O-N 3.21Å; N702-Y744 HydrophobicContact CB-CE1 4.47Å; N702-Y744 WeakPolarHBondContact OD1-CE1 3.34Å; N702-Y744 VanDerWaalsContact OD1-CZ 3.26Å; N702-Y744 PolarHBondContact OD1-OH 2.84Å; N702-S790 PolarHBondContact ND2-O 2.76Å; N702-Q792 HydrophobicContact CB-CG 3.68Å |
| 703 | V | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | F620 Y685 H689 L692 T699 L700 Q706 Q707 | F620-V703 HydrophobicContact CD2-CG2 4.42Å; F620-V703 HydrophobicContact CE2-CG2 4.31Å; Y685-V703 HydrophobicContact CD1-CG1 4.22Å; H689-V703 HydrophobicContact CB-CG1 3.98Å; L692-V703 HydrophobicContact CD1-CG2 4.09Å; T699-V703 WeakPolarHBondContact O-CG2 3.35Å; T699-V703 PolarHBondContact O-N 3.41Å; L700-V703 PolarHBondContact O-N 3.17Å; L700-V703 VanDerWaalsContact O-N 3.08Å; V703-Q706 PolarHBondContact O-N 2.95Å; V703-Q707 PolarHBondContact O-N 3.03Å |
| 704 | E | 96.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 25 Ų | 25 | 27% | 0.271 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 173.2 | -69.9 | 175 | 178.8 | 0 | 0 | 112.2 | H689 L700 R701 N702 Q706 Q707 Q708 | H689-E704 IonicContact NE2-OE1 3.5Å; L700-E704 WeakPolarHBondContact O-CG 3.38Å; L700-E704 PolarHBondContact O-N 3.23Å; R701-E704 VanDerWaalsContact CD-OE2 3.27Å; R701-E704 WeakPolarHBondContact CD-OE2 3.45Å; R701-E704 IonicContact CZ-OE2 2.89Å; R701-E704 IonicContact NE-OE2 2.63Å; R701-E704 IonicContact NH1-OE2 3.12Å; R701-E704 PolarHBondContact NH1-OE2 2.9Å; R701-E704 PolarHBondContact O-N 2.79Å; N702-E704 VanDerWaalsContact C-N 3.33Å; N702-E704 PolarHBondContact O-N 3.29Å; E704-Q706 VanDerWaalsContact C-N 3.32Å; E704-Q706 PolarHBondContact O-N 3.14Å; E704-Q707 WeakPolarHBondContact O-CB 3.46Å; E704-Q707 PolarHBondContact O-N 2.93Å; E704-Q708 WeakPolarHBondContact O-CB 3.46Å; E704-Q708 VanDerWaalsContact O-CG 3.29Å; E704-Q708 WeakPolarHBondContact O-CG 3.45Å; E704-Q708 PolarHBondContact O-N 3.48Å |
| 705 | L | 96.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.9 | -71.6 | 168.1 | 0 | 0 | 0 | 111.6 | R701 N702 Q708 S709 Y744 E745 M748 M749 F752 | R701-L705 HydrophobicContact CG-CD1 4.39Å; R701-L705 VanDerWaalsContact O-CG 3.25Å; R701-L705 WeakPolarHBondContact O-CG 3.27Å; R701-L705 PolarHBondContact O-N 3.07Å; N702-L705 PolarHBondContact O-N 3.47Å; L705-Q708 PolarHBondContact O-N 3.37Å; L705-S709 PolarHBondContact O-N 3.42Å; L705-Y744 HydrophobicContact CD1-CD1 4.13Å; L705-Y744 HydrophobicContact CD1-CE1 3.84Å; L705-E745 HydrophobicContact CD1-CB 3.97Å; L705-E745 HydrophobicContact CD1-CG 4.1Å; L705-M748 HydrophobicContact CB-CE 4.45Å; L705-M748 HydrophobicContact CD1-CB 4.43Å; L705-M748 HydrophobicContact CD1-CG 4.45Å; L705-M748 HydrophobicContact CD2-CB 4.1Å; L705-M749 HydrophobicContact CD2-SD 4.19Å; L705-F752 HydrophobicContact CD2-CE2 3.98Å; L705-F752 WeakPolarHBondContact O-CZ 3.32Å |
| 706 | Q | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 174 | -67.4 | -64.3 | -46.8 | 0 | 0 | 111.2 | Y685 N702 V703 E704 Q708 S709 C710 Y744 | Y685-Q706 HydrophobicContact CD1-CB 4.31Å; Y685-Q706 HydrophobicContact CE1-CB 3.93Å; Y685-Q706 HydrophobicContact CE2-CB 4.34Å; N702-Q706 WeakPolarHBondContact O-CG 3.24Å; N702-Q706 PolarHBondContact O-N 3.21Å; V703-Q706 PolarHBondContact O-N 2.95Å; E704-Q706 VanDerWaalsContact C-N 3.32Å; E704-Q706 PolarHBondContact O-N 3.14Å; Q706-Q708 PolarHBondContact O-N 3.33Å; Q706-S709 PolarHBondContact O-N 3.46Å; Q706-S709 PolarHBondContact O-OG 3.28Å; Q706-C710 PolarHBondContact O-N 3.42Å; Q706-Y744 PolarHBondContact NE2-OH 2.76Å |
| 707 | Q | 97.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 26.4 Ų | 26.4 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 173.1 | -174.3 | -174.2 | 6.4 | 0 | 0 | 112.1 | A682 Y685 V703 E704 S709 C710 L711 | A682-Q707 HydrophobicContact CB-CG 4.09Å; A682-Q707 WeakPolarHBondContact O-CG 3.4Å; A682-Q707 PolarHBondContact O-NE2 3.16Å; Y685-Q707 HydrophobicContact CG-CB 4.48Å; V703-Q707 PolarHBondContact O-N 3.03Å; E704-Q707 WeakPolarHBondContact O-CB 3.46Å; E704-Q707 PolarHBondContact O-N 2.93Å; Q707-S709 VanDerWaalsContact C-N 3.28Å; Q707-S709 PolarHBondContact O-N 2.91Å; Q707-C710 PolarHBondContact O-N 3.27Å; Q707-L711 HydrophobicContact CG-CD1 4.31Å; Q707-L711 PolarHBondContact O-N 3.37Å |
| 708 | Q | 96.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 23.7 Ų | 23.7 | 35% | 0.346 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.3 | -36.8 | 178.1 | -75.3 | 179.8 | -12.4 | 0 | 0 | 111.6 | E704 L705 Q706 C710 L711 L712 F752 | E704-Q708 WeakPolarHBondContact O-CB 3.46Å; E704-Q708 VanDerWaalsContact O-CG 3.29Å; E704-Q708 WeakPolarHBondContact O-CG 3.45Å; E704-Q708 PolarHBondContact O-N 3.48Å; L705-Q708 PolarHBondContact O-N 3.37Å; Q706-Q708 PolarHBondContact O-N 3.33Å; Q708-C710 PolarHBondContact O-N 3.18Å; Q708-L711 PolarHBondContact O-N 2.91Å; Q708-L712 WeakPolarHBondContact O-CB 3.35Å; Q708-L712 PolarHBondContact O-N 3.23Å; Q708-F752 HydrophobicContact CB-CE2 3.82Å; Q708-F752 HydrophobicContact CB-CZ 4.03Å |
| 709 | S | 96.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 6% | 0.063 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 175.2 | 78.8 | 0 | 0 | 0 | 0 | 112.5 | L705 Q706 Q707 L712 V713 | L705-S709 PolarHBondContact O-N 3.42Å; Q706-S709 PolarHBondContact O-N 3.46Å; Q706-S709 PolarHBondContact O-OG 3.28Å; Q707-S709 VanDerWaalsContact C-N 3.28Å; Q707-S709 PolarHBondContact O-N 2.91Å; S709-L712 PolarHBondContact O-N 3.42Å; S709-V713 WeakPolarHBondContact O-CG2 3.31Å; S709-V713 PolarHBondContact O-N 2.86Å; S709-V713 VanDerWaalsContact O-N 3.13Å |
| 710 | C | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 175.7 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | F678 L681 A682 Q706 Q707 Q708 L712 V713 S714 | F678-C710 HydrophobicContact CD1-CB 4.27Å; L681-C710 HydrophobicContact CB-CB 4.43Å; A682-C710 HydrophobicContact CB-CB 4.14Å; Q706-C710 PolarHBondContact O-N 3.42Å; Q707-C710 PolarHBondContact O-N 3.27Å; Q708-C710 PolarHBondContact O-N 3.18Å; C710-L712 VanDerWaalsContact C-N 3.34Å; C710-V713 PolarHBondContact O-N 3.02Å; C710-S714 WeakPolarHBondContact O-CB 3.3Å; C710-S714 PolarHBondContact O-N 3.39Å |
| 711 | L | 96.9 | Very high | 93.6 | Very high | 80 Ų | 80 | 21.9 Ų | 21.9 | 42% | 0.419 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.1 | -70.2 | 174.3 | 0 | 0 | 0 | 112.1 | A682 Q707 Q708 S714 H715 | A682-L711 HydrophobicContact CB-CD1 4.48Å; A682-L711 HydrophobicContact CB-CD2 3.57Å; A682-L711 HydrophobicContact CB-CG 3.68Å; Q707-L711 HydrophobicContact CG-CD1 4.31Å; Q707-L711 PolarHBondContact O-N 3.37Å; Q708-L711 PolarHBondContact O-N 2.91Å; L711-S714 WeakPolarHBondContact O-CB 3.45Å; L711-S714 PolarHBondContact O-N 3.34Å; L711-H715 WeakPolarHBondContact O-CB 3.31Å; L711-H715 PolarHBondContact O-N 2.91Å |
| 712 | L | 95.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -54 | 174.4 | 176.1 | 64.5 | 0 | 0 | 0 | 110.2 | Q708 S709 C710 S714 H715 V716 F752 V755 L756 | Q708-L712 WeakPolarHBondContact O-CB 3.35Å; Q708-L712 PolarHBondContact O-N 3.23Å; S709-L712 PolarHBondContact O-N 3.42Å; C710-L712 VanDerWaalsContact C-N 3.34Å; L712-S714 VanDerWaalsContact C-N 3.3Å; L712-S714 PolarHBondContact O-N 2.84Å; L712-H715 WeakPolarHBondContact O-CB 3.21Å; L712-H715 PolarHBondContact O-N 3.18Å; L712-H715 VanDerWaalsContact O-N 3.09Å; L712-V716 HydrophobicContact CD1-CG2 4.19Å; L712-V716 HydrophobicContact CG-CG2 4.45Å; L712-V716 WeakPolarHBondContact O-CG2 3.43Å; L712-V716 PolarHBondContact O-N 3.04Å; L712-F752 HydrophobicContact CD2-CB 4.16Å; L712-F752 HydrophobicContact CD2-CD1 3.48Å; L712-F752 VanDerWaalsContact CD2-CD1 3.48Å; L712-F752 HydrophobicContact CD2-CE1 4.22Å; L712-F752 HydrophobicContact CD2-CG 4.1Å; L712-V755 HydrophobicContact CD1-CG1 4.18Å; L712-V755 HydrophobicContact CD2-CB 4.16Å; L712-V755 HydrophobicContact CD2-CG1 4.13Å; L712-V755 HydrophobicContact CG-CG1 4.24Å; L712-L756 HydrophobicContact CD1-CD2 3.67Å; L712-L756 HydrophobicContact CD1-CG 3.85Å |
| 713 | V | 95.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 179.5 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | L634 F678 S709 C710 H715 V716 I717 L784 | L634-V713 HydrophobicContact CD2-CG1 3.48Å; L634-V713 VanDerWaalsContact CD2-CG1 3.48Å; F678-V713 HydrophobicContact CD1-CG1 4.48Å; F678-V713 HydrophobicContact CD2-CB 4.35Å; F678-V713 HydrophobicContact CD2-CG1 3.66Å; F678-V713 HydrophobicContact CE1-CG1 4.27Å; F678-V713 HydrophobicContact CE2-CB 4.4Å; F678-V713 HydrophobicContact CE2-CG1 3.43Å; F678-V713 VanDerWaalsContact CE2-CG1 3.43Å; F678-V713 HydrophobicContact CG-CB 4.43Å; F678-V713 HydrophobicContact CG-CG1 4.21Å; F678-V713 HydrophobicContact CZ-CB 4.49Å; F678-V713 HydrophobicContact CZ-CG1 3.76Å; S709-V713 WeakPolarHBondContact O-CG2 3.31Å; S709-V713 PolarHBondContact O-N 2.86Å; S709-V713 VanDerWaalsContact O-N 3.13Å; C710-V713 PolarHBondContact O-N 3.02Å; V713-H715 VanDerWaalsContact C-N 3.35Å; V713-H715 PolarHBondContact O-N 2.98Å; V713-V716 PolarHBondContact O-N 3.49Å; V713-I717 HydrophobicContact CG1-CD1 4.11Å; V713-I717 VanDerWaalsContact O-CG1 3.32Å; V713-I717 WeakPolarHBondContact O-CG1 3.48Å; V713-I717 PolarHBondContact O-N 3.03Å; V713-I717 VanDerWaalsContact O-N 3.07Å; V713-L784 HydrophobicContact CG2-CD1 3.68Å |
| 714 | S | 95.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.2 | -47 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 112 | M675 R679 C710 L711 L712 I717 E718 | M675-S714 VanDerWaalsContact CG-OG 3.28Å; M675-S714 WeakPolarHBondContact CG-OG 3.25Å; M675-S714 PolarHBondContact O-OG 3.15Å; R679-S714 VanDerWaalsContact CG-OG 3.25Å; R679-S714 WeakPolarHBondContact CG-OG 3.41Å; R679-S714 PolarHBondContact NE-OG 2.71Å; C710-S714 WeakPolarHBondContact O-CB 3.3Å; C710-S714 PolarHBondContact O-N 3.39Å; L711-S714 WeakPolarHBondContact O-CB 3.45Å; L711-S714 PolarHBondContact O-N 3.34Å; L712-S714 VanDerWaalsContact C-N 3.3Å; L712-S714 PolarHBondContact O-N 2.84Å; S714-I717 PolarHBondContact O-N 3.12Å; S714-E718 PolarHBondContact O-N 2.9Å; S714-E718 VanDerWaalsContact O-N 3.08Å |
| 715 | H | 90.8 | Very high | 89.1 | Confident | 49 Ų | 49 | 32.7 Ų | 32.7 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 178 | 177.7 | 65.2 | 0 | 0 | 0 | 112.4 | L711 L712 V713 I717 E718 A719 | L711-H715 WeakPolarHBondContact O-CB 3.31Å; L711-H715 PolarHBondContact O-N 2.91Å; L712-H715 WeakPolarHBondContact O-CB 3.21Å; L712-H715 PolarHBondContact O-N 3.18Å; L712-H715 VanDerWaalsContact O-N 3.09Å; V713-H715 VanDerWaalsContact C-N 3.35Å; V713-H715 PolarHBondContact O-N 2.98Å; H715-I717 VanDerWaalsContact C-N 3.33Å; H715-I717 PolarHBondContact O-N 2.79Å; H715-E718 PolarHBondContact O-N 3.42Å; H715-A719 VanDerWaalsContact O-CB 3.29Å; H715-A719 WeakPolarHBondContact O-CB 3.44Å; H715-A719 PolarHBondContact O-N 3.24Å |
| 716 | V | 91.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | L712 V713 E718 L720 V755 V759 L777 | L712-V716 HydrophobicContact CD1-CG2 4.19Å; L712-V716 HydrophobicContact CG-CG2 4.45Å; L712-V716 WeakPolarHBondContact O-CG2 3.43Å; L712-V716 PolarHBondContact O-N 3.04Å; V713-V716 PolarHBondContact O-N 3.49Å; V716-E718 VanDerWaalsContact C-N 3.34Å; V716-L720 HydrophobicContact CG1-CD1 3.68Å; V716-L720 HydrophobicContact CG1-CG 4.13Å; V716-L720 WeakPolarHBondContact O-CB 3.36Å; V716-L720 WeakPolarHBondContact O-CG 3.47Å; V716-L720 PolarHBondContact O-N 3.03Å; V716-V755 HydrophobicContact CG2-CG1 3.78Å; V716-V759 HydrophobicContact CB-CG2 4.27Å; V716-V759 HydrophobicContact CG1-CG2 3.62Å; V716-V759 HydrophobicContact CG2-CG2 3.69Å; V716-L777 HydrophobicContact CB-CD2 4.04Å; V716-L777 HydrophobicContact CG1-CD2 3.5Å; V716-L777 HydrophobicContact CG1-CG 4.14Å |
| 717 | I | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.2 | -65.5 | 165.2 | 0 | 0 | 0 | 110.6 | L634 M671 C674 M675 F678 V713 S714 H715 I721 L722 L777 | L634-I717 HydrophobicContact CD1-CD1 3.88Å; L634-I717 HydrophobicContact CD1-CG1 4.25Å; L634-I717 HydrophobicContact CD2-CD1 4.43Å; M671-I717 HydrophobicContact CB-CG2 3.86Å; M671-I717 HydrophobicContact SD-CG2 4.45Å; C674-I717 HydrophobicContact CB-CD1 4.08Å; M675-I717 HydrophobicContact CB-CB 4.38Å; M675-I717 HydrophobicContact CB-CD1 4.44Å; M675-I717 HydrophobicContact CB-CG2 4.01Å; F678-I717 HydrophobicContact CD2-CD1 4.13Å; F678-I717 HydrophobicContact CE2-CD1 4.36Å; V713-I717 HydrophobicContact CG1-CD1 4.11Å; V713-I717 VanDerWaalsContact O-CG1 3.32Å; V713-I717 WeakPolarHBondContact O-CG1 3.48Å; V713-I717 PolarHBondContact O-N 3.03Å; V713-I717 VanDerWaalsContact O-N 3.07Å; S714-I717 PolarHBondContact O-N 3.12Å; H715-I717 VanDerWaalsContact C-N 3.33Å; H715-I717 PolarHBondContact O-N 2.79Å; I717-I721 WeakPolarHBondContact O-CB 3.38Å; I717-I721 PolarHBondContact O-N 3.39Å; I717-L722 HydrophobicContact CG2-CD1 4.18Å; I717-L722 HydrophobicContact CG2-CG 4.42Å; I717-L722 PolarHBondContact O-N 3.37Å; I717-L777 HydrophobicContact CG1-CD1 4.44Å; I717-L777 HydrophobicContact CG1-CD2 3.8Å |
| 718 | E | 88.7 | Confident | 83.7 | Confident | 64 Ų | 64 | 40.3 Ų | 40.3 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -62.8 | -51.4 | 179.2 | -172.6 | 166.3 | -135.1 | 0 | 0 | 111.6 | M675 R679 S714 H715 V716 L722 D723 | M675-E718 HydrophobicContact SD-CB 4.03Å; M675-E718 HydrophobicContact SD-CG 4.39Å; R679-E718 IonicContact CZ-OE1 2.83Å; R679-E718 IonicContact NH2-OE1 3.95Å; R679-E718 PolarHBondContact NH2-OE1 3.3Å; R679-E718 IonicContact NH2-OE2 3.7Å; R679-E718 PolarHBondContact NH2-OE2 3.02Å; S714-E718 PolarHBondContact O-N 2.9Å; S714-E718 VanDerWaalsContact O-N 3.08Å; H715-E718 PolarHBondContact O-N 3.42Å; V716-E718 VanDerWaalsContact C-N 3.34Å; E718-L722 PolarHBondContact O-N 2.85Å; E718-D723 PolarHBondContact O-N 3.35Å |
| 719 | A | 85.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -70.8 | -33.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | H715 P724 A727 V759 | H715-A719 VanDerWaalsContact O-CB 3.29Å; H715-A719 WeakPolarHBondContact O-CB 3.44Å; H715-A719 PolarHBondContact O-N 3.24Å; A719-P724 VanDerWaalsContact O-CA 3.28Å; A719-P724 WeakPolarHBondContact O-CA 2.93Å; A719-P724 WeakPolarHBondContact O-CB 3.24Å; A719-A727 HydrophobicContact CB-CB 4.01Å; A719-V759 HydrophobicContact CB-CG1 4.37Å |
| 720 | L | 84.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -92.5 | -30.8 | -179 | -65.3 | -174 | 0 | 0 | 0 | 113.8 | V716 V759 L762 C776 | V716-L720 HydrophobicContact CG1-CD1 3.68Å; V716-L720 HydrophobicContact CG1-CG 4.13Å; V716-L720 WeakPolarHBondContact O-CB 3.36Å; V716-L720 WeakPolarHBondContact O-CG 3.47Å; V716-L720 PolarHBondContact O-N 3.03Å; L720-V759 HydrophobicContact CD1-CG1 4.36Å; L720-V759 HydrophobicContact CD1-CG2 4.23Å; L720-V759 HydrophobicContact CD2-CB 4.47Å; L720-V759 HydrophobicContact CD2-CG1 3.71Å; L720-V759 HydrophobicContact CG-CG1 3.88Å; L720-L762 HydrophobicContact CD2-CB 4.17Å; L720-C776 HydrophobicContact CD1-CB 4.44Å |
| 721 | I | 81.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -116.7 | -47.1 | -167.9 | -56.5 | -176.1 | 0 | 0 | 0 | 112.8 | M671 I717 V769 L777 | M671-I721 HydrophobicContact CB-CG2 4.26Å; M671-I721 HydrophobicContact CE-CD1 3.84Å; M671-I721 HydrophobicContact CG-CD1 3.74Å; M671-I721 HydrophobicContact CG-CG2 4.18Å; M671-I721 HydrophobicContact SD-CD1 3.8Å; I717-I721 WeakPolarHBondContact O-CB 3.38Å; I717-I721 PolarHBondContact O-N 3.39Å; I721-V769 HydrophobicContact CG1-CG1 4.47Å; I721-V769 HydrophobicContact CG2-CG2 4.25Å; I721-L777 HydrophobicContact CD1-CD1 3.57Å; I721-L777 HydrophobicContact CG1-CD1 4.49Å |
| 722 | L | 79.6 | Confident | 74.1 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -92.2 | -44.2 | -166.7 | -59.3 | 177.6 | 0 | 0 | 0 | 113.2 | S668 M671 K672 M675 I717 E718 | S668-L722 WeakPolarHBondContact O-CD2 3.22Å; M671-L722 HydrophobicContact CB-CD2 4.44Å; K672-L722 HydrophobicContact CB-CD1 4.24Å; K672-L722 HydrophobicContact CB-CD2 4.48Å; M675-L722 HydrophobicContact CE-CD1 4.02Å; M675-L722 HydrophobicContact SD-CD1 3.61Å; I717-L722 HydrophobicContact CG2-CD1 4.18Å; I717-L722 HydrophobicContact CG2-CG 4.42Å; I717-L722 PolarHBondContact O-N 3.37Å; E718-L722 PolarHBondContact O-N 2.85Å |
| 723 | D | 76.9 | Confident | 71.3 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | trans | -146.3 | 71.4 | -178 | -162.4 | -14.3 | 0 | 0 | 0 | 113.3 | E718 Q725 T726 A727 | E718-D723 PolarHBondContact O-N 3.35Å; D723-Q725 PolarHBondContact O-N 3.47Å; D723-Q725 PolarHBondContact OD1-N 2.94Å; D723-T726 PolarHBondContact OD1-N 3.41Å; D723-T726 VanDerWaalsContact OD1-N 3.08Å; D723-T726 PolarHBondContact OD1-OG1 3.45Å; D723-T726 VanDerWaalsContact OD1-OG1 3.11Å; D723-T726 PolarHBondContact OD2-OG1 2.9Å; D723-A727 WeakPolarHBondContact O-CB 3.44Å; D723-A727 PolarHBondContact O-N 3.3Å | ||
| 724 | P | 71.5 | Confident | 68.4 | Low | 55 Ų | 55 | 66.1 Ų | 66.1 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -11.1 | -179.4 | 28.1 | -34.8 | 0 | 0 | 0 | 114.4 | A719 | A719-P724 VanDerWaalsContact O-CA 3.28Å; A719-P724 WeakPolarHBondContact O-CA 2.93Å; A719-P724 WeakPolarHBondContact O-CB 3.24Å |
| 725 | Q | 64.8 | Low | 65.9 | Low | 170 Ų | 170 | 70.2 Ų | 70.2 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -32.1 | -174.7 | -62.7 | -64.5 | -38 | 0 | 0 | 112.5 | D723 | D723-Q725 PolarHBondContact O-N 3.47Å; D723-Q725 PolarHBondContact OD1-N 2.94Å |
| 726 | T | 64.5 | Low | 63.2 | Low | 100 Ų | 100 | 70.9 Ų | 70.9 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -17.7 | 178.4 | 76.6 | 0 | 0 | 0 | 0 | 113.8 | D723 S728 | D723-T726 PolarHBondContact OD1-N 3.41Å; D723-T726 VanDerWaalsContact OD1-N 3.08Å; D723-T726 PolarHBondContact OD1-OG1 3.45Å; D723-T726 VanDerWaalsContact OD1-OG1 3.11Å; D723-T726 PolarHBondContact OD2-OG1 2.9Å; T726-S728 PolarHBondContact O-N 3.09Å |
| 727 | A | 59.2 | Low | 60.8 | Low | 23 Ų | 23 | 76 Ų | 76 | 19% | 0.19 | 45% | 0.446 | C | S | . | . | trans | -68.7 | 70.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A719 D723 F729 | A719-A727 HydrophobicContact CB-CB 4.01Å; D723-A727 WeakPolarHBondContact O-CB 3.44Å; D723-A727 PolarHBondContact O-N 3.3Å; A727-F729 PolarHBondContact O-N 3.36Å | ||
| 728 | S | 53.6 | Low | 58.8 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 62% | 0.622 | 47% | 0.467 | S | S | * | . | trans | -66.1 | 123.1 | 170.1 | 63.9 | 0 | 0 | 0 | 0 | 107.8 | T726 Q730 | T726-S728 PolarHBondContact O-N 3.09Å; S728-Q730 PolarHBondContact O-N 3.15Å | ||
| 729 | F | 54.3 | Low | 57.4 | Low | 52 Ų | 52 | 82.9 Ų | 82.9 | 23% | 0.228 | 48% | 0.483 | C | S | . | . | trans | -59.6 | 93.4 | 159.5 | -76.9 | -94.7 | 0 | 0 | 0 | 106.9 | A727 E731 L756 V759 E760 | A727-F729 PolarHBondContact O-N 3.36Å; F729-E731 PolarHBondContact O-N 2.98Å; F729-L756 HydrophobicContact CE1-CD2 4.39Å; F729-V759 HydrophobicContact CZ-CB 4.27Å; F729-V759 HydrophobicContact CZ-CG1 3.78Å; F729-E760 HydrophobicContact CD2-CG 4.19Å; F729-E760 HydrophobicContact CE1-CB 4.12Å; F729-E760 HydrophobicContact CE2-CB 4.07Å; F729-E760 HydrophobicContact CE2-CG 4.11Å; F729-E760 HydrophobicContact CG-CG 4.45Å; F729-E760 HydrophobicContact CZ-CB 3.8Å; F729-E760 HydrophobicContact CZ-CG 4.28Å | ||
| 730 | Q | 46.5 | Very low | 56.5 | Low | 158 Ų | 158 | 84.7 Ų | 84.7 | 74% | 0.738 | 49% | 0.494 | S | S | * | . | trans | -56.7 | 125.2 | 159.7 | -79.2 | -173.7 | -21.2 | 0 | 0 | 105.1 | S728 H732 | S728-Q730 PolarHBondContact O-N 3.15Å; Q730-H732 PolarHBondContact O-N 3Å; Q730-H732 PolarHBondContact O-ND1 3.1Å | ||
| 731 | E | 40.7 | Very low | 56.1 | Low | 192 Ų | 192 | 88.5 Ų | 88.5 | 90% | 0.897 | 51% | 0.512 | S | S | * | . | trans | -41.5 | 106.2 | 173.4 | -74.8 | 177.6 | 154.7 | 0 | 0 | 107.1 | F729 G733 | F729-E731 PolarHBondContact O-N 2.98Å; E731-G733 PolarHBondContact O-N 3.41Å | ||
| 732 | H | 44.8 | Very low | 56.1 | Low | 136 Ų | 136 | 90 Ų | 90 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | trans | -69.3 | 80.8 | 164.1 | -72.4 | 57 | 0 | 0 | 0 | 102.8 | Q730 T734 | Q730-H732 PolarHBondContact O-N 3Å; Q730-H732 PolarHBondContact O-ND1 3.1Å; H732-T734 PolarHBondContact O-N 3.18Å | ||
| 733 | G | 36 | Very low | 56.3 | Low | 57 Ų | 57 | 89.4 Ų | 89.4 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | trans | -46.6 | 120.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 104.5 | E731 S735 | E731-G733 PolarHBondContact O-N 3.41Å; G733-S735 WeakPolarHBondContact O-CA 3.46Å; G733-S735 PolarHBondContact O-N 2.87Å | ||
| 734 | T | 36.3 | Very low | 56.9 | Low | 133 Ų | 133 | 87.7 Ų | 87.7 | 82% | 0.816 | 51% | 0.508 | S | S | * | . | trans | -24.1 | 101.6 | 178.8 | 34.9 | 0 | 0 | 0 | 0 | 108.1 | H732 G736 | H732-T734 PolarHBondContact O-N 3.18Å; T734-G736 VanDerWaalsContact C-N 3.31Å; T734-G736 WeakPolarHBondContact O-CA 3.43Å; T734-G736 PolarHBondContact O-N 2.99Å | ||
| 735 | S | 42.3 | Very low | 57.8 | Low | 88 Ų | 88 | 85.2 Ų | 85.2 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | trans | -52.9 | 105.8 | -175.4 | -163.2 | 0 | 0 | 0 | 0 | 105 | G733 S737 | G733-S735 WeakPolarHBondContact O-CA 3.46Å; G733-S735 PolarHBondContact O-N 2.87Å; S735-S737 PolarHBondContact O-N 3.35Å | ||
| 736 | G | 33.9 | Very low | 58.9 | Low | 63 Ų | 63 | 80.5 Ų | 80.5 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 111 | -151.8 | 0 | 0 | 0 | 0 | 0 | 109 | T734 V738 | T734-G736 VanDerWaalsContact C-N 3.31Å; T734-G736 WeakPolarHBondContact O-CA 3.43Å; T734-G736 PolarHBondContact O-N 2.99Å; G736-V738 PolarHBondContact O-N 2.98Å |
| 737 | S | 41.6 | Very low | 60.1 | Low | 108 Ų | 108 | 79.2 Ų | 79.2 | 76% | 0.755 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -7.5 | 78.1 | -163.4 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | S735 Q739 | S735-S737 PolarHBondContact O-N 3.35Å; S737-Q739 PolarHBondContact O-N 3.41Å |
| 738 | V | 47.2 | Very low | 61.7 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | trans | -62.8 | 112 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 104.2 | G736 T740 | G736-V738 PolarHBondContact O-N 2.98Å; V738-T740 VanDerWaalsContact C-N 3.29Å; V738-T740 PolarHBondContact O-N 3.16Å | ||
| 739 | Q | 60.1 | Low | 63.6 | Low | 138 Ų | 138 | 76.2 Ų | 76.2 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | trans | -62.9 | 96 | -177.9 | -75 | -174 | -8 | 0 | 0 | 107.6 | S737 E741 | S737-Q739 PolarHBondContact O-N 3.41Å; Q739-E741 WeakPolarHBondContact O-CG 3.46Å; Q739-E741 PolarHBondContact O-N 3.18Å | ||
| 740 | T | 66.5 | Low | 65.4 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 23% | 0.233 | 44% | 0.438 | C | S | . | . | trans | -58.5 | 121.2 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | V738 E745 R746 | V738-T740 VanDerWaalsContact C-N 3.29Å; V738-T740 PolarHBondContact O-N 3.16Å; T740-E745 WeakPolarHBondContact CA-OE2 3.5Å; T740-E745 HydrophobicContact CG2-CG 3.97Å; T740-R746 HydrophobicContact CG2-CG 4.49Å; T740-R746 PolarHBondContact OG1-NE 2.89Å | ||
| 741 | E | 75.1 | Confident | 67.6 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | trans | -92.4 | -11.3 | -173.6 | -65.1 | -154.7 | 137.9 | 0 | 0 | 112.7 | K421 T458 Q739 E745 | K421-E741 IonicContact NZ-OE1 2.76Å; T458-E741 WeakPolarHBondContact CG2-O 3.37Å; Q739-E741 WeakPolarHBondContact O-CG 3.46Å; Q739-E741 PolarHBondContact O-N 3.18Å; E741-E745 PolarHBondContact N-OE2 3.17Å | ||
| 742 | S | 83.7 | Confident | 70.2 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -139.7 | 157.4 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | E745 R746 | S742-E745 PolarHBondContact O-N 3.26Å; S742-E745 WeakPolarHBondContact OG-CB 3.19Å; S742-E745 PolarHBondContact OG-N 2.71Å; S742-E745 VanDerWaalsContact OG-N 3.17Å; S742-R746 PolarHBondContact O-N 2.91Å; S742-R746 VanDerWaalsContact O-N 3.14Å |
| 743 | E | 83.6 | Confident | 72.4 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 173.6 | -170.7 | -167.9 | 161.7 | 0 | 0 | 112.5 | Q502 E745 R746 R747 | Q502-E743 VanDerWaalsContact CD-OE1 3.22Å; Q502-E743 VanDerWaalsContact NE2-CD 3.31Å; Q502-E743 PolarHBondContact NE2-OE2 3.49Å; Q502-E743 VanDerWaalsContact O-OE1 3.06Å; Q502-E743 PolarHBondContact OE1-OE1 3.49Å; Q502-E743 PolarHBondContact OE1-OE2 2.93Å; E743-E745 VanDerWaalsContact C-N 3.34Å; E743-E745 PolarHBondContact O-N 3.25Å; E743-R746 WeakPolarHBondContact O-CB 3.48Å; E743-R746 PolarHBondContact O-N 2.88Å; E743-R746 VanDerWaalsContact O-N 3.1Å; E743-R747 WeakPolarHBondContact O-CG 3.33Å; E743-R747 PolarHBondContact O-N 2.79Å; E743-R747 IonicContact OE1-CZ 2.77Å; E743-R747 IonicContact OE1-NE 2.66Å; E743-R747 PolarHBondContact OE1-NE 2.8Å; E743-R747 IonicContact OE1-NH1 3.61Å; E743-R747 IonicContact OE1-NH2 2.91Å; E743-R747 PolarHBondContact OE1-NH2 2.89Å |
| 744 | Y | 88.7 | Confident | 75.1 | Confident | 22 Ų | 22 | 63 Ų | 63 | 9% | 0.086 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 176.4 | 169.6 | -99.8 | 0 | 0 | 0 | 111.8 | N702 L705 Q706 R746 R747 M748 V787 P788 | N702-Y744 HydrophobicContact CB-CE1 4.47Å; N702-Y744 WeakPolarHBondContact OD1-CE1 3.34Å; N702-Y744 VanDerWaalsContact OD1-CZ 3.26Å; N702-Y744 PolarHBondContact OD1-OH 2.84Å; L705-Y744 HydrophobicContact CD1-CD1 4.13Å; L705-Y744 HydrophobicContact CD1-CE1 3.84Å; Q706-Y744 PolarHBondContact NE2-OH 2.76Å; Y744-R746 VanDerWaalsContact C-N 3.32Å; Y744-R746 PolarHBondContact O-N 2.91Å; Y744-R747 PolarHBondContact O-N 2.7Å; Y744-M748 HydrophobicContact CD2-CG 4.46Å; Y744-M748 HydrophobicContact CE1-CG 4.2Å; Y744-M748 HydrophobicContact CE2-CG 4.06Å; Y744-M748 HydrophobicContact CE2-SD 4.35Å; Y744-M748 WeakPolarHBondContact O-CG 3.44Å; Y744-M748 PolarHBondContact O-N 2.98Å; Y744-V787 HydrophobicContact CD2-CG1 3.8Å; Y744-V787 HydrophobicContact CE2-CG1 3.81Å; Y744-P788 WeakPolarHBondContact CD2-O 3.48Å; Y744-P788 VanDerWaalsContact CE2-O 3.31Å; Y744-P788 WeakPolarHBondContact CE2-O 3.45Å |
| 745 | E | 90.6 | Very high | 77.7 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.3 | 176.5 | 178.2 | -159.1 | 0 | 0 | 111.6 | R701 L705 T740 E741 S742 E743 R747 M748 M749 | R701-E745 IonicContact CZ-OE1 3.25Å; R701-E745 VanDerWaalsContact CZ-OE1 3.29Å; R701-E745 IonicContact NE-OE1 3.25Å; R701-E745 PolarHBondContact NE-OE1 3.12Å; R701-E745 IonicContact NH2-OE1 2.62Å; R701-E745 PolarHBondContact NH2-OE1 3.19Å; L705-E745 HydrophobicContact CD1-CB 3.97Å; L705-E745 HydrophobicContact CD1-CG 4.1Å; T740-E745 WeakPolarHBondContact CA-OE2 3.5Å; T740-E745 HydrophobicContact CG2-CG 3.97Å; E741-E745 PolarHBondContact N-OE2 3.17Å; S742-E745 PolarHBondContact O-N 3.26Å; S742-E745 WeakPolarHBondContact OG-CB 3.19Å; S742-E745 PolarHBondContact OG-N 2.71Å; S742-E745 VanDerWaalsContact OG-N 3.17Å; E743-E745 VanDerWaalsContact C-N 3.34Å; E743-E745 PolarHBondContact O-N 3.25Å; E745-R747 VanDerWaalsContact C-N 3.32Å; E745-R747 PolarHBondContact O-N 3.11Å; E745-M748 PolarHBondContact O-N 3.15Å; E745-M749 HydrophobicContact CG-CG 4.34Å; E745-M749 WeakPolarHBondContact O-CB 3.35Å; E745-M749 VanDerWaalsContact O-CG 3.31Å; E745-M749 WeakPolarHBondContact O-CG 3.3Å; E745-M749 PolarHBondContact O-N 2.83Å |
| 746 | R | 88.5 | Confident | 80 | Confident | 71 Ų | 71 | 54 Ų | 54 | 27% | 0.268 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | -179.9 | -152.8 | 176.5 | -61.2 | 114.9 | -2.8 | 112 | T458 T740 S742 E743 Y744 S750 | T458-R746 PolarHBondContact O-NH2 2.66Å; T740-R746 HydrophobicContact CG2-CG 4.49Å; T740-R746 PolarHBondContact OG1-NE 2.89Å; S742-R746 PolarHBondContact O-N 2.91Å; S742-R746 VanDerWaalsContact O-N 3.14Å; E743-R746 WeakPolarHBondContact O-CB 3.48Å; E743-R746 PolarHBondContact O-N 2.88Å; E743-R746 VanDerWaalsContact O-N 3.1Å; Y744-R746 VanDerWaalsContact C-N 3.32Å; Y744-R746 PolarHBondContact O-N 2.91Å; R746-S750 WeakPolarHBondContact O-CB 3.47Å; R746-S750 PolarHBondContact O-N 2.92Å |
| 747 | R | 89.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 174.6 | -72.7 | -179.8 | 179 | -156.8 | -8.7 | 112 | Q502 E743 Y744 E745 M749 S750 V751 V787 | Q502-R747 PolarHBondContact O-NH1 3.34Å; Q502-R747 VanDerWaalsContact O-NH1 3.11Å; Q502-R747 PolarHBondContact O-NH2 3.16Å; E743-R747 WeakPolarHBondContact O-CG 3.33Å; E743-R747 PolarHBondContact O-N 2.79Å; E743-R747 IonicContact OE1-CZ 2.77Å; E743-R747 IonicContact OE1-NE 2.66Å; E743-R747 PolarHBondContact OE1-NE 2.8Å; E743-R747 IonicContact OE1-NH1 3.61Å; E743-R747 IonicContact OE1-NH2 2.91Å; E743-R747 PolarHBondContact OE1-NH2 2.89Å; Y744-R747 PolarHBondContact O-N 2.7Å; E745-R747 VanDerWaalsContact C-N 3.32Å; E745-R747 PolarHBondContact O-N 3.11Å; R747-M749 PolarHBondContact O-N 3.25Å; R747-S750 WeakPolarHBondContact O-CB 3.48Å; R747-S750 PolarHBondContact O-N 3.16Å; R747-V751 WeakPolarHBondContact O-CG2 3.47Å; R747-V751 PolarHBondContact O-N 3.22Å; R747-V787 HydrophobicContact CB-CG1 4.12Å; R747-V787 HydrophobicContact CB-CG2 4.37Å |
| 748 | M | 92.9 | Very high | 84.8 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -48 | 177 | -71.3 | -64.8 | -71 | 0 | 0 | 111.2 | L705 Y744 E745 S750 V751 F752 L784 V787 | L705-M748 HydrophobicContact CB-CE 4.45Å; L705-M748 HydrophobicContact CD1-CB 4.43Å; L705-M748 HydrophobicContact CD1-CG 4.45Å; L705-M748 HydrophobicContact CD2-CB 4.1Å; Y744-M748 HydrophobicContact CD2-CG 4.46Å; Y744-M748 HydrophobicContact CE1-CG 4.2Å; Y744-M748 HydrophobicContact CE2-CG 4.06Å; Y744-M748 HydrophobicContact CE2-SD 4.35Å; Y744-M748 WeakPolarHBondContact O-CG 3.44Å; Y744-M748 PolarHBondContact O-N 2.98Å; E745-M748 PolarHBondContact O-N 3.15Å; M748-S750 VanDerWaalsContact C-N 3.33Å; M748-S750 PolarHBondContact O-N 2.57Å; M748-V751 PolarHBondContact O-N 3.05Å; M748-F752 HydrophobicContact CB-CE2 4.44Å; M748-F752 HydrophobicContact CB-CZ 4.3Å; M748-F752 HydrophobicContact CE-CE1 3.8Å; M748-F752 HydrophobicContact CE-CZ 3.63Å; M748-F752 VanDerWaalsContact O-CD1 3.29Å; M748-F752 WeakPolarHBondContact O-CD1 3.3Å; M748-F752 WeakPolarHBondContact O-CG 3.19Å; M748-F752 PolarHBondContact O-N 2.65Å; M748-L784 HydrophobicContact CE-CD2 4.45Å; M748-V787 HydrophobicContact CG-CG1 4.06Å; M748-V787 HydrophobicContact SD-CB 3.89Å; M748-V787 HydrophobicContact SD-CG1 3.72Å; M748-V787 HydrophobicContact SD-CG2 4.13Å |
| 749 | M | 92 | Very high | 86.7 | Confident | 46 Ų | 46 | 50 Ų | 50 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.4 | -68.4 | -57.1 | -57.8 | 0 | 0 | 112.6 | L705 E745 R747 F752 N753 | L705-M749 HydrophobicContact CD2-SD 4.19Å; E745-M749 HydrophobicContact CG-CG 4.34Å; E745-M749 WeakPolarHBondContact O-CB 3.35Å; E745-M749 VanDerWaalsContact O-CG 3.31Å; E745-M749 WeakPolarHBondContact O-CG 3.3Å; E745-M749 PolarHBondContact O-N 2.83Å; R747-M749 PolarHBondContact O-N 3.25Å; M749-F752 PolarHBondContact O-N 3.5Å; M749-F752 HydrophobicContact SD-CD2 3.79Å; M749-F752 HydrophobicContact SD-CE2 4.2Å; M749-N753 WeakPolarHBondContact O-CB 3.27Å; M749-N753 VanDerWaalsContact O-CG 3.25Å; M749-N753 PolarHBondContact O-N 3.45Å; M749-N753 PolarHBondContact O-ND2 3.42Å |
| 750 | S | 91.9 | Very high | 87.8 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 53% | 0.531 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -43 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | R746 R747 M748 H754 | R746-S750 WeakPolarHBondContact O-CB 3.47Å; R746-S750 PolarHBondContact O-N 2.92Å; R747-S750 WeakPolarHBondContact O-CB 3.48Å; R747-S750 PolarHBondContact O-N 3.16Å; M748-S750 VanDerWaalsContact C-N 3.33Å; M748-S750 PolarHBondContact O-N 2.57Å; S750-H754 VanDerWaalsContact O-CB 3.32Å; S750-H754 WeakPolarHBondContact O-CB 3.41Å; S750-H754 PolarHBondContact O-N 3.04Å |
| 751 | V | 93.9 | Very high | 88.6 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.2 | 171.8 | 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 3.22Å; M748-V751 PolarHBondContact O-N 3.05Å; V751-N753 PolarHBondContact O-N 3.48Å; V751-H754 PolarHBondContact O-N 2.86Å; V751-V755 HydrophobicContact CG1-CG2 4.31Å; V751-V755 WeakPolarHBondContact O-CG2 3.2Å; V751-V755 PolarHBondContact O-N 2.69Å; V751-A783 HydrophobicContact CG1-CB 3.8Å; V751-A783 HydrophobicContact CG2-CB 4.48Å; V751-L784 HydrophobicContact CG1-CD2 3.77Å; V751-L784 HydrophobicContact CG1-CG 4.14Å; V751-V787 HydrophobicContact CG2-CG2 3.87Å |
| 752 | F | 94.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -47.5 | 178.1 | -61.3 | -15.8 | 0 | 0 | 0 | 112 | L705 Q708 L712 M748 M749 V755 L756 L784 | L705-F752 HydrophobicContact CD2-CE2 3.98Å; L705-F752 WeakPolarHBondContact O-CZ 3.32Å; Q708-F752 HydrophobicContact CB-CE2 3.82Å; Q708-F752 HydrophobicContact CB-CZ 4.03Å; L712-F752 HydrophobicContact CD2-CB 4.16Å; L712-F752 HydrophobicContact CD2-CD1 3.48Å; L712-F752 VanDerWaalsContact CD2-CD1 3.48Å; L712-F752 HydrophobicContact CD2-CE1 4.22Å; L712-F752 HydrophobicContact CD2-CG 4.1Å; M748-F752 HydrophobicContact CB-CE2 4.44Å; M748-F752 HydrophobicContact CB-CZ 4.3Å; M748-F752 HydrophobicContact CE-CE1 3.8Å; M748-F752 HydrophobicContact CE-CZ 3.63Å; M748-F752 VanDerWaalsContact O-CD1 3.29Å; M748-F752 WeakPolarHBondContact O-CD1 3.3Å; M748-F752 WeakPolarHBondContact O-CG 3.19Å; M748-F752 PolarHBondContact O-N 2.65Å; M749-F752 PolarHBondContact O-N 3.5Å; M749-F752 HydrophobicContact SD-CD2 3.79Å; M749-F752 HydrophobicContact SD-CE2 4.2Å; F752-V755 PolarHBondContact O-N 3.37Å; F752-L756 WeakPolarHBondContact O-CB 3.49Å; F752-L756 VanDerWaalsContact O-CG 3.29Å; F752-L756 WeakPolarHBondContact O-CG 3.42Å; F752-L756 PolarHBondContact O-N 3.1Å; F752-L784 HydrophobicContact CD1-CD2 4.24Å; F752-L784 HydrophobicContact CE1-CD2 3.81Å |
| 753 | N | 91.6 | Very high | 88.3 | Confident | 92 Ų | 92 | 43.9 Ų | 43.9 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -42 | 178 | -70.7 | -25.8 | 0 | 0 | 0 | 111.8 | M749 V751 L756 V757 | M749-N753 WeakPolarHBondContact O-CB 3.27Å; M749-N753 VanDerWaalsContact O-CG 3.25Å; M749-N753 PolarHBondContact O-N 3.45Å; M749-N753 PolarHBondContact O-ND2 3.42Å; V751-N753 PolarHBondContact O-N 3.48Å; N753-L756 PolarHBondContact O-N 2.93Å; N753-V757 VanDerWaalsContact O-CG2 3.28Å; N753-V757 WeakPolarHBondContact O-CG2 3.29Å; N753-V757 PolarHBondContact O-N 3.38Å |
| 754 | H | 92.4 | Very high | 87.4 | Confident | 115 Ų | 115 | 49.9 Ų | 49.9 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 178.2 | -179.3 | 59.4 | 0 | 0 | 0 | 111.7 | S750 V751 L756 V757 E758 | S750-H754 VanDerWaalsContact O-CB 3.32Å; S750-H754 WeakPolarHBondContact O-CB 3.41Å; S750-H754 PolarHBondContact O-N 3.04Å; V751-H754 PolarHBondContact O-N 2.86Å; H754-L756 PolarHBondContact O-N 3.01Å; H754-V757 PolarHBondContact O-N 2.87Å; H754-E758 PolarHBondContact O-N 3.19Å; H754-E758 VanDerWaalsContact O-N 3.09Å |
| 755 | V | 92 | Very high | 86.1 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L712 V716 V751 F752 V757 E758 V759 A780 | L712-V755 HydrophobicContact CD1-CG1 4.18Å; L712-V755 HydrophobicContact CD2-CB 4.16Å; L712-V755 HydrophobicContact CD2-CG1 4.13Å; L712-V755 HydrophobicContact CG-CG1 4.24Å; V716-V755 HydrophobicContact CG2-CG1 3.78Å; V751-V755 HydrophobicContact CG1-CG2 4.31Å; V751-V755 WeakPolarHBondContact O-CG2 3.2Å; V751-V755 PolarHBondContact O-N 2.69Å; F752-V755 PolarHBondContact O-N 3.37Å; V755-V757 VanDerWaalsContact C-N 3.34Å; V755-V757 PolarHBondContact O-N 2.93Å; V755-E758 PolarHBondContact O-N 3.3Å; V755-V759 HydrophobicContact CG1-CG2 4.16Å; V755-V759 WeakPolarHBondContact O-CG2 3.41Å; V755-V759 PolarHBondContact O-N 2.84Å; V755-A780 HydrophobicContact CG1-CB 3.93Å; V755-A780 HydrophobicContact CG2-CB 3.69Å |
| 756 | L | 89.6 | Confident | 84.6 | Confident | 31 Ų | 31 | 60 Ų | 60 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 179.6 | -73.2 | 171.6 | 0 | 0 | 0 | 112.7 | L712 F729 F752 N753 H754 V759 E760 | L712-L756 HydrophobicContact CD1-CD2 3.67Å; L712-L756 HydrophobicContact CD1-CG 3.85Å; F729-L756 HydrophobicContact CE1-CD2 4.39Å; F752-L756 WeakPolarHBondContact O-CB 3.49Å; F752-L756 VanDerWaalsContact O-CG 3.29Å; F752-L756 WeakPolarHBondContact O-CG 3.42Å; F752-L756 PolarHBondContact O-N 3.1Å; N753-L756 PolarHBondContact O-N 2.93Å; H754-L756 PolarHBondContact O-N 3.01Å; L756-V759 PolarHBondContact O-N 2.9Å; L756-E760 PolarHBondContact O-N 3.49Å |
| 757 | V | 88.8 | Confident | 83.2 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 62% | 0.618 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63 | -42 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | N753 H754 V755 G761 | N753-V757 VanDerWaalsContact O-CG2 3.28Å; N753-V757 WeakPolarHBondContact O-CG2 3.29Å; N753-V757 PolarHBondContact O-N 3.38Å; H754-V757 PolarHBondContact O-N 2.87Å; V755-V757 VanDerWaalsContact C-N 3.34Å; V755-V757 PolarHBondContact O-N 2.93Å; V757-G761 PolarHBondContact O-N 3.41Å; V757-G761 VanDerWaalsContact O-N 3.14Å |
| 758 | E | 87.8 | Confident | 82.1 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 178.4 | -165.2 | -175.1 | 171.4 | 0 | 0 | 111.8 | H754 V755 E760 G761 L762 | H754-E758 PolarHBondContact O-N 3.19Å; H754-E758 VanDerWaalsContact O-N 3.09Å; V755-E758 PolarHBondContact O-N 3.3Å; E758-E760 PolarHBondContact O-N 3.44Å; E758-G761 PolarHBondContact O-N 2.89Å; E758-L762 HydrophobicContact CG-CD1 4.33Å; E758-L762 WeakPolarHBondContact O-CG 3.13Å; E758-L762 PolarHBondContact O-N 3.22Å; E758-L762 VanDerWaalsContact O-N 3.09Å |
| 759 | V | 87.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | V716 A719 L720 F729 V755 L756 G761 L762 S763 | V716-V759 HydrophobicContact CB-CG2 4.27Å; V716-V759 HydrophobicContact CG1-CG2 3.62Å; V716-V759 HydrophobicContact CG2-CG2 3.69Å; A719-V759 HydrophobicContact CB-CG1 4.37Å; L720-V759 HydrophobicContact CD1-CG1 4.36Å; L720-V759 HydrophobicContact CD1-CG2 4.23Å; L720-V759 HydrophobicContact CD2-CB 4.47Å; L720-V759 HydrophobicContact CD2-CG1 3.71Å; L720-V759 HydrophobicContact CG-CG1 3.88Å; F729-V759 HydrophobicContact CZ-CB 4.27Å; F729-V759 HydrophobicContact CZ-CG1 3.78Å; V755-V759 HydrophobicContact CG1-CG2 4.16Å; V755-V759 WeakPolarHBondContact O-CG2 3.41Å; V755-V759 PolarHBondContact O-N 2.84Å; L756-V759 PolarHBondContact O-N 2.9Å; V759-G761 VanDerWaalsContact C-N 3.3Å; V759-G761 PolarHBondContact O-N 2.88Å; V759-L762 PolarHBondContact O-N 3.17Å; V759-S763 WeakPolarHBondContact O-CB 3.41Å; V759-S763 PolarHBondContact O-N 3.49Å |
| 760 | E | 83.6 | Confident | 80.5 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 36% | 0.36 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.1 | -164.9 | -169.7 | 163.4 | 0 | 0 | 111.7 | F729 L756 E758 L762 K764 | F729-E760 HydrophobicContact CD2-CG 4.19Å; F729-E760 HydrophobicContact CE1-CB 4.12Å; F729-E760 HydrophobicContact CE2-CB 4.07Å; F729-E760 HydrophobicContact CE2-CG 4.11Å; F729-E760 HydrophobicContact CG-CG 4.45Å; F729-E760 HydrophobicContact CZ-CB 3.8Å; F729-E760 HydrophobicContact CZ-CG 4.28Å; L756-E760 PolarHBondContact O-N 3.49Å; E758-E760 PolarHBondContact O-N 3.44Å; E760-L762 VanDerWaalsContact C-N 3.32Å; E760-L762 PolarHBondContact O-N 3.28Å; E760-K764 IonicContact OE1-NZ 2.72Å; E760-K764 PolarHBondContact OE1-NZ 3.05Å |
| 761 | G | 81.9 | Confident | 79.9 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V757 E758 V759 K765 | V757-G761 PolarHBondContact O-N 3.41Å; V757-G761 VanDerWaalsContact O-N 3.14Å; E758-G761 PolarHBondContact O-N 2.89Å; V759-G761 VanDerWaalsContact C-N 3.3Å; V759-G761 PolarHBondContact O-N 2.88Å; G761-K765 WeakPolarHBondContact O-CD 3.25Å |
| 762 | L | 82.1 | Confident | 79.5 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -82.1 | -41.6 | -178.5 | -71.3 | 170 | 0 | 0 | 0 | 113 | L720 E758 V759 E760 K764 K765 H766 L772 C776 | L720-L762 HydrophobicContact CD2-CB 4.17Å; E758-L762 HydrophobicContact CG-CD1 4.33Å; E758-L762 WeakPolarHBondContact O-CG 3.13Å; E758-L762 PolarHBondContact O-N 3.22Å; E758-L762 VanDerWaalsContact O-N 3.09Å; V759-L762 PolarHBondContact O-N 3.17Å; E760-L762 VanDerWaalsContact C-N 3.32Å; E760-L762 PolarHBondContact O-N 3.28Å; L762-K764 PolarHBondContact O-N 3.47Å; L762-K764 VanDerWaalsContact O-N 3.15Å; L762-K765 PolarHBondContact O-N 3.18Å; L762-K765 VanDerWaalsContact O-N 3.13Å; L762-H766 PolarHBondContact O-N 3.34Å; L762-L772 HydrophobicContact CD2-CB 4.22Å; L762-C776 HydrophobicContact CD1-CB 3.52Å |
| 763 | S | 71.1 | Confident | 79.1 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.6 | -35.4 | -179.9 | 169.5 | 0 | 0 | 0 | 0 | 112.8 | V759 | V759-S763 WeakPolarHBondContact O-CB 3.41Å; V759-S763 PolarHBondContact O-N 3.49Å |
| 764 | K | 65.2 | Low | 78.9 | Confident | 151 Ų | 151 | 63.2 Ų | 63.2 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -14.1 | -177 | -68.1 | 173.7 | 178.7 | 169.2 | 0 | 115.1 | E760 L762 | E760-K764 IonicContact OE1-NZ 2.72Å; E760-K764 PolarHBondContact OE1-NZ 3.05Å; L762-K764 PolarHBondContact O-N 3.47Å; L762-K764 VanDerWaalsContact O-N 3.15Å |
| 765 | K | 60.3 | Low | 78.8 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 66% | 0.661 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -23 | -162.9 | -69.1 | -177.4 | -175.9 | 173.2 | 0 | 116.2 | G761 L762 | G761-K765 WeakPolarHBondContact O-CD 3.25Å; L762-K765 PolarHBondContact O-N 3.18Å; L762-K765 VanDerWaalsContact O-N 3.13Å |
| 766 | H | 59.9 | Low | 78.7 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | trans | -138.2 | 65.9 | -166.6 | -63.3 | -62.2 | 0 | 0 | 0 | 116.1 | L762 H773 | L762-H766 PolarHBondContact O-N 3.34Å; H766-H773 PolarHBondContact O-CE1 3.01Å; H766-H773 PolarHBondContact O-NE2 2.86Å | ||
| 767 | P | 60 | Low | 78.8 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 75% | 0.747 | 32% | 0.318 | S | S | * | . | trans | -75.5 | 133.4 | 160.1 | 29.6 | -29.3 | 0 | 0 | 0 | 110.2 | ||||
| 768 | P | 66.1 | Low | 79.1 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | S | Bend | cis | -96 | 175.9 | 3.7 | 37.6 | -35 | 0 | 0 | 0 | 115.5 | S770 | P768-S770 PolarHBondContact O-N 3.41Š|
| 769 | V | 73.5 | Confident | 79.3 | Confident | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.17 | 29% | 0.29 | C | S | . | . | trans | -45.1 | 121.7 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | C664 I721 | C664-V769 HydrophobicContact CB-CB 4.34Å; C664-V769 HydrophobicContact CB-CG2 4.19Å; C664-V769 VanDerWaalsContact SG-CG2 3.54Å; I721-V769 HydrophobicContact CG1-CG1 4.47Å; I721-V769 HydrophobicContact CG2-CG2 4.25Å | ||
| 770 | S | 77 | Confident | 79.7 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | trans | -134.2 | 171.8 | -170.9 | 76.9 | 0 | 0 | 0 | 0 | 110.8 | P768 L772 H773 T774 | P768-S770 PolarHBondContact O-N 3.41Å; S770-L772 PolarHBondContact O-N 3.46Å; S770-L772 VanDerWaalsContact O-N 3.08Å; S770-L772 PolarHBondContact OG-N 3.06Å; S770-H773 PolarHBondContact N-ND1 3.27Å; S770-H773 WeakPolarHBondContact O-CB 3.44Å; S770-H773 PolarHBondContact O-N 3.01Å; S770-H773 PolarHBondContact O-ND1 3.22Å; S770-H773 PolarHBondContact OG-CE1 2.83Å; S770-H773 PolarHBondContact OG-ND1 3.3Å; S770-T774 PolarHBondContact O-N 3.38Å | ||
| 771 | H | 80.4 | Confident | 80.2 | Confident | 119 Ų | 119 | 50.7 Ų | 50.7 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -55.6 | -26.5 | 176.3 | 68.6 | -85 | 0 | 0 | 0 | 113.4 | H773 T774 N775 | H771-H773 VanDerWaalsContact C-N 3.33Å; H771-H773 PolarHBondContact O-N 2.92Å; H771-T774 WeakPolarHBondContact CA-OG1 3.48Å; H771-T774 PolarHBondContact O-N 3.06Å; H771-T774 PolarHBondContact O-OG1 2.66Å; H771-N775 VanDerWaalsContact O-CB 3.3Å; H771-N775 WeakPolarHBondContact O-CB 3.35Å; H771-N775 PolarHBondContact O-N 3.29Å; H771-N775 PolarHBondContact O-OD1 3.49Å |
| 772 | L | 84.5 | Confident | 80.8 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 176.4 | -61.9 | 174.4 | 0 | 0 | 0 | 111.9 | L762 S770 N775 C776 | L762-L772 HydrophobicContact CD2-CB 4.22Å; S770-L772 PolarHBondContact O-N 3.46Å; S770-L772 VanDerWaalsContact O-N 3.08Å; S770-L772 PolarHBondContact OG-N 3.06Å; L772-N775 PolarHBondContact O-N 3.44Å; L772-C776 WeakPolarHBondContact O-CB 3.33Å; L772-C776 PolarHBondContact O-N 2.88Å |
| 773 | H | 85.8 | Confident | 81.4 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 179.6 | -55.3 | 83.9 | 0 | 0 | 0 | 111.3 | H766 S770 H771 L777 | H766-H773 PolarHBondContact O-CE1 3.01Å; H766-H773 PolarHBondContact O-NE2 2.86Å; S770-H773 PolarHBondContact N-ND1 3.27Å; S770-H773 WeakPolarHBondContact O-CB 3.44Å; S770-H773 PolarHBondContact O-N 3.01Å; S770-H773 PolarHBondContact O-ND1 3.22Å; S770-H773 PolarHBondContact OG-CE1 2.83Å; S770-H773 PolarHBondContact OG-ND1 3.3Å; H771-H773 VanDerWaalsContact C-N 3.33Å; H771-H773 PolarHBondContact O-N 2.92Å; H773-L777 PolarHBondContact O-N 3.41Å; H773-L777 VanDerWaalsContact O-N 3.15Å |
| 774 | T | 87.5 | Confident | 82.4 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.8 | -32.1 | 175.9 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | C638 L641 I667 S770 H771 L777 C778 | C638-T774 HydrophobicContact CB-CG2 4.25Å; L641-T774 HydrophobicContact CB-CG2 4.27Å; L641-T774 HydrophobicContact CD2-CG2 3.71Å; I667-T774 HydrophobicContact CD1-CG2 4.28Å; S770-T774 PolarHBondContact O-N 3.38Å; H771-T774 WeakPolarHBondContact CA-OG1 3.48Å; H771-T774 PolarHBondContact O-N 3.06Å; H771-T774 PolarHBondContact O-OG1 2.66Å; T774-L777 PolarHBondContact O-N 3.14Å; T774-C778 PolarHBondContact O-N 3.37Å; T774-C778 PolarHBondContact O-SG 3.05Å; T774-C778 VanDerWaalsContact O-SG 3.33Å |
| 775 | N | 89.6 | Confident | 83.8 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 173.1 | -74 | -3.7 | 0 | 0 | 0 | 110.4 | Y583 H771 L772 L777 C778 D779 | Y583-N775 PolarHBondContact OH-OD1 3.25Å; H771-N775 VanDerWaalsContact O-CB 3.3Å; H771-N775 WeakPolarHBondContact O-CB 3.35Å; H771-N775 PolarHBondContact O-N 3.29Å; H771-N775 PolarHBondContact O-OD1 3.49Å; L772-N775 PolarHBondContact O-N 3.44Å; N775-L777 VanDerWaalsContact C-N 3.26Å; N775-L777 PolarHBondContact O-N 2.88Å; N775-C778 CarbonylContact O-C 3.58Å; N775-C778 WeakPolarHBondContact O-CA 3.41Å; N775-C778 WeakPolarHBondContact O-CB 3.47Å; N775-C778 PolarHBondContact O-N 3.04Å; N775-D779 WeakPolarHBondContact O-CB 3.3Å; N775-D779 VanDerWaalsContact O-CG 3.24Å; N775-D779 PolarHBondContact O-N 3.38Å |
| 776 | C | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54 | -41.7 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | L720 L762 L772 D779 A780 | L720-C776 HydrophobicContact CD1-CB 4.44Å; L762-C776 HydrophobicContact CD1-CB 3.52Å; L772-C776 WeakPolarHBondContact O-CB 3.33Å; L772-C776 PolarHBondContact O-N 2.88Å; C776-D779 PolarHBondContact O-N 3.35Å; C776-A780 VanDerWaalsContact O-CB 3.3Å; C776-A780 WeakPolarHBondContact O-CB 3.2Å; C776-A780 PolarHBondContact O-N 2.76Å |
| 777 | L | 92.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 173 | -79.9 | 167.3 | 0 | 0 | 0 | 112.6 | L634 M671 V716 I717 I721 H773 T774 N775 A780 V781 | L634-L777 HydrophobicContact CD2-CD2 4.4Å; M671-L777 HydrophobicContact CE-CD1 4.37Å; M671-L777 HydrophobicContact SD-CD1 4.48Å; V716-L777 HydrophobicContact CB-CD2 4.04Å; V716-L777 HydrophobicContact CG1-CD2 3.5Å; V716-L777 HydrophobicContact CG1-CG 4.14Å; I717-L777 HydrophobicContact CG1-CD1 4.44Å; I717-L777 HydrophobicContact CG1-CD2 3.8Å; I721-L777 HydrophobicContact CD1-CD1 3.57Å; I721-L777 HydrophobicContact CG1-CD1 4.49Å; H773-L777 PolarHBondContact O-N 3.41Å; H773-L777 VanDerWaalsContact O-N 3.15Å; T774-L777 PolarHBondContact O-N 3.14Å; N775-L777 VanDerWaalsContact C-N 3.26Å; N775-L777 PolarHBondContact O-N 2.88Å; L777-A780 PolarHBondContact O-N 3.43Å; L777-V781 WeakPolarHBondContact O-CG2 3.45Å; L777-V781 PolarHBondContact O-N 3.38Å |
| 778 | C | 93.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -40 | 176.9 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | Y583 T774 N775 V781 I782 | Y583-C778 HydrophobicContact CD1-CB 3.56Å; Y583-C778 HydrophobicContact CE1-CB 3.41Å; Y583-C778 VanDerWaalsContact CE1-CB 3.41Å; Y583-C778 HydrophobicContact CG-CB 4.25Å; T774-C778 PolarHBondContact O-N 3.37Å; T774-C778 PolarHBondContact O-SG 3.05Å; T774-C778 VanDerWaalsContact O-SG 3.33Å; N775-C778 CarbonylContact O-C 3.58Å; N775-C778 WeakPolarHBondContact O-CA 3.41Å; N775-C778 WeakPolarHBondContact O-CB 3.47Å; N775-C778 PolarHBondContact O-N 3.04Å; C778-V781 WeakPolarHBondContact O-CB 3.43Å; C778-V781 PolarHBondContact O-N 2.88Å; C778-I782 WeakPolarHBondContact O-CG1 3.35Å; C778-I782 PolarHBondContact O-N 3.04Å |
| 779 | D | 93.6 | Very high | 89.1 | Confident | 54 Ų | 54 | 25 Ų | 25 | 29% | 0.289 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.3 | -39.9 | 178.7 | -67.6 | -31.2 | 0 | 0 | 0 | 110.5 | N775 C776 V781 I782 A783 | N775-D779 WeakPolarHBondContact O-CB 3.3Å; N775-D779 VanDerWaalsContact O-CG 3.24Å; N775-D779 PolarHBondContact O-N 3.38Å; C776-D779 PolarHBondContact O-N 3.35Å; D779-V781 VanDerWaalsContact C-N 3.34Å; D779-V781 PolarHBondContact O-N 2.79Å; D779-I782 PolarHBondContact O-N 3.4Å; D779-A783 WeakPolarHBondContact O-CB 3.35Å; D779-A783 PolarHBondContact O-N 3.28Å |
| 780 | A | 94 | Very high | 90.1 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V755 C776 L777 A783 L784 | V755-A780 HydrophobicContact CG1-CB 3.93Å; V755-A780 HydrophobicContact CG2-CB 3.69Å; C776-A780 VanDerWaalsContact O-CB 3.3Å; C776-A780 WeakPolarHBondContact O-CB 3.2Å; C776-A780 PolarHBondContact O-N 2.76Å; L777-A780 PolarHBondContact O-N 3.43Å; A780-A783 PolarHBondContact O-N 3.03Å; A780-L784 VanDerWaalsContact O-CG 3.29Å; A780-L784 WeakPolarHBondContact O-CG 3.33Å; A780-L784 PolarHBondContact O-N 2.84Å |
| 781 | V | 94.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L631 L634 I635 L777 C778 D779 A783 L784 L785 | L631-V781 HydrophobicContact CB-CG1 3.98Å; L631-V781 HydrophobicContact CD2-CB 4.39Å; L631-V781 HydrophobicContact CD2-CG1 4.04Å; L631-V781 HydrophobicContact CD2-CG2 3.8Å; L631-V781 HydrophobicContact CG-CG1 4.42Å; L634-V781 HydrophobicContact CD2-CG2 3.79Å; L634-V781 HydrophobicContact CG-CG2 4.49Å; I635-V781 HydrophobicContact CD1-CG1 3.79Å; I635-V781 HydrophobicContact CG1-CG1 4.18Å; L777-V781 WeakPolarHBondContact O-CG2 3.45Å; L777-V781 PolarHBondContact O-N 3.38Å; C778-V781 WeakPolarHBondContact O-CB 3.43Å; C778-V781 PolarHBondContact O-N 2.88Å; D779-V781 VanDerWaalsContact C-N 3.34Å; D779-V781 PolarHBondContact O-N 2.79Å; V781-A783 VanDerWaalsContact C-N 3.35Å; V781-A783 PolarHBondContact O-N 3.01Å; V781-L784 PolarHBondContact O-N 2.97Å; V781-L785 HydrophobicContact CG1-CD1 3.81Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 VanDerWaalsContact O-CG 3.27Å; V781-L785 WeakPolarHBondContact O-CG 3.34Å; V781-L785 PolarHBondContact O-N 2.85Å |
| 782 | I | 94.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.7 | -69.3 | 172.9 | 0 | 0 | 0 | 110.7 | V578 Y583 A586 C778 D779 L784 L785 K786 | V578-I782 HydrophobicContact CG1-CD1 4.5Å; V578-I782 HydrophobicContact CG1-CG1 4.17Å; V578-I782 HydrophobicContact CG1-CG2 4.1Å; Y583-I782 HydrophobicContact CD1-CD1 3.81Å; Y583-I782 HydrophobicContact CE1-CD1 4.09Å; A586-I782 HydrophobicContact CB-CD1 4.48Å; A586-I782 HydrophobicContact CB-CG1 4.21Å; C778-I782 WeakPolarHBondContact O-CG1 3.35Å; C778-I782 PolarHBondContact O-N 3.04Å; D779-I782 PolarHBondContact O-N 3.4Å; I782-L784 VanDerWaalsContact C-N 3.31Å; I782-L784 PolarHBondContact O-N 2.64Å; I782-L785 PolarHBondContact O-N 2.92Å; I782-K786 HydrophobicContact CG2-CD 4.24Å; I782-K786 HydrophobicContact CG2-CG 4.36Å; I782-K786 WeakPolarHBondContact O-CG 3.33Å; I782-K786 PolarHBondContact O-N 2.74Å |
| 783 | A | 93.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 19% | 0.19 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V751 D779 A780 V781 | V751-A783 HydrophobicContact CG1-CB 3.8Å; V751-A783 HydrophobicContact CG2-CB 4.48Å; D779-A783 WeakPolarHBondContact O-CB 3.35Å; D779-A783 PolarHBondContact O-N 3.28Å; A780-A783 PolarHBondContact O-N 3.03Å; V781-A783 VanDerWaalsContact C-N 3.35Å; V781-A783 PolarHBondContact O-N 3.01Å |
| 784 | L | 93.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 20.6 Ų | 20.6 | 8% | 0.079 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.4 | -39.2 | 175.1 | -71.2 | 171.7 | 0 | 0 | 0 | 112.7 | V713 M748 V751 F752 A780 V781 I782 K786 V787 | V713-L784 HydrophobicContact CG2-CD1 3.68Å; M748-L784 HydrophobicContact CE-CD2 4.45Å; V751-L784 HydrophobicContact CG1-CD2 3.77Å; V751-L784 HydrophobicContact CG1-CG 4.14Å; F752-L784 HydrophobicContact CD1-CD2 4.24Å; F752-L784 HydrophobicContact CE1-CD2 3.81Å; A780-L784 VanDerWaalsContact O-CG 3.29Å; A780-L784 WeakPolarHBondContact O-CG 3.33Å; A780-L784 PolarHBondContact O-N 2.84Å; V781-L784 PolarHBondContact O-N 2.97Å; I782-L784 VanDerWaalsContact C-N 3.31Å; I782-L784 PolarHBondContact O-N 2.64Å; L784-K786 VanDerWaalsContact C-N 3.34Å; L784-V787 PolarHBondContact O-N 3.1Å |
| 785 | L | 93.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.2 | -31 | 179.1 | -69.4 | 173.7 | 0 | 0 | 0 | 113 | L575 I590 L628 L631 V781 I782 V787 | L575-L785 HydrophobicContact CD1-CD2 4.35Å; L575-L785 HydrophobicContact CD2-CD2 4.26Å; I590-L785 HydrophobicContact CD1-CD1 3.85Å; I590-L785 HydrophobicContact CG1-CD1 3.94Å; L628-L785 HydrophobicContact CD2-CD2 3.48Å; L628-L785 VanDerWaalsContact CD2-CD2 3.48Å; L631-L785 HydrophobicContact CD1-CD2 3.94Å; V781-L785 HydrophobicContact CG1-CD1 3.81Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 VanDerWaalsContact O-CG 3.27Å; V781-L785 WeakPolarHBondContact O-CG 3.34Å; V781-L785 PolarHBondContact O-N 2.85Å; I782-L785 PolarHBondContact O-N 2.92Å; L785-V787 PolarHBondContact O-N 3.47Å |
| 786 | K | 89.8 | Confident | 93.4 | Very high | 72 Ų | 72 | 19 Ų | 19 | 31% | 0.313 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.6 | 178 | -79.3 | -175.2 | 173.6 | -167.6 | 0 | 113.6 | V578 E580 I782 L784 P788 | V578-K786 WeakPolarHBondContact O-CE 3.48Å; E580-K786 IonicContact OE1-NZ 2.82Å; E580-K786 PolarHBondContact OE1-NZ 3.31Å; I782-K786 HydrophobicContact CG2-CD 4.24Å; I782-K786 HydrophobicContact CG2-CG 4.36Å; I782-K786 WeakPolarHBondContact O-CG 3.33Å; I782-K786 PolarHBondContact O-N 2.74Å; L784-K786 VanDerWaalsContact C-N 3.34Å; K786-P788 VanDerWaalsContact O-CD 3.26Å; K786-P788 WeakPolarHBondContact O-CD 3.36Å |
| 787 | V | 90.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 7% | 0.073 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -80.8 | 111.4 | 175 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | Y744 R747 M748 V751 L784 L785 L789 | Y744-V787 HydrophobicContact CD2-CG1 3.8Å; Y744-V787 HydrophobicContact CE2-CG1 3.81Å; R747-V787 HydrophobicContact CB-CG1 4.12Å; R747-V787 HydrophobicContact CB-CG2 4.37Å; M748-V787 HydrophobicContact CG-CG1 4.06Å; M748-V787 HydrophobicContact SD-CB 3.89Å; M748-V787 HydrophobicContact SD-CG1 3.72Å; M748-V787 HydrophobicContact SD-CG2 4.13Å; V751-V787 HydrophobicContact CG2-CG2 3.87Å; L784-V787 PolarHBondContact O-N 3.1Å; L785-V787 PolarHBondContact O-N 3.47Å; V787-L789 PolarHBondContact O-N 3.03Å |
| 788 | P | 86.2 | Confident | 93.3 | Very high | 24 Ų | 24 | 26.6 Ų | 26.6 | 16% | 0.156 | 13% | 0.127 | C | C | . | . | trans | -65.3 | 136.3 | -177.4 | 27.2 | -34.2 | 0 | 0 | 0 | 110.7 | Y744 K786 S790 | Y744-P788 WeakPolarHBondContact CD2-O 3.48Å; Y744-P788 VanDerWaalsContact CE2-O 3.31Å; Y744-P788 WeakPolarHBondContact CE2-O 3.45Å; K786-P788 VanDerWaalsContact O-CD 3.26Å; K786-P788 WeakPolarHBondContact O-CD 3.36Å; P788-S790 PolarHBondContact O-N 2.76Å | ||
| 789 | L | 92.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -67.8 | 118.2 | -179 | -175.7 | 67.3 | 0 | 0 | 0 | 111.7 | H539 E572 F620 R624 V787 F791 | H539-L789 PolarHBondContact CE1-O 2.99Å; H539-L789 PolarHBondContact NE2-O 3.01Å; E572-L789 VanDerWaalsContact CD-CB 3.47Å; E572-L789 HydrophobicContact CG-CB 4.07Å; E572-L789 VanDerWaalsContact OE2-CB 3.22Å; E572-L789 WeakPolarHBondContact OE2-CB 3.39Å; E572-L789 PolarHBondContact OE2-N 2.82Å; F620-L789 HydrophobicContact CE1-CD2 4.08Å; F620-L789 HydrophobicContact CZ-CD1 4.23Å; F620-L789 HydrophobicContact CZ-CD2 4.34Å; R624-L789 HydrophobicContact CG-CD2 4.14Å; V787-L789 PolarHBondContact O-N 3.03Å; L789-F791 HydrophobicContact CD2-CE1 3.84Å; L789-F791 HydrophobicContact CD2-CZ 4.03Å; L789-F791 PolarHBondContact O-N 3.23Å | ||
| 790 | S | 93 | Very high | 92.9 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 13% | 0.125 | C | C | . | . | trans | -80.8 | 112.9 | 174.4 | -179 | 0 | 0 | 0 | 0 | 111.6 | R535 N702 P788 Q792 | R535-S790 WeakPolarHBondContact O-CB 3.33Å; R535-S790 PolarHBondContact O-OG 3.4Å; N702-S790 PolarHBondContact ND2-O 2.76Å; P788-S790 PolarHBondContact O-N 2.76Å; S790-Q792 PolarHBondContact O-N 2.9Å; S790-Q792 PolarHBondContact OG-NE2 2.71Å | ||
| 791 | F | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | trans | -77.2 | 102.7 | 173.5 | -69.3 | -66.3 | 0 | 0 | 0 | 110.6 | R535 H539 F568 F620 I621 L789 F795 F796 | R535-F791 WeakPolarHBondContact CG-O 3.47Å; H539-F791 AromaticContact CE1-CD2 3.92Å; H539-F791 AromaticContact CE1-CE2 3.79Å; F568-F791 HydrophobicContact CB-CE2 4.42Å; F568-F791 HydrophobicContact CB-CZ 3.99Å; F620-F791 HydrophobicContact CE1-CD1 4.3Å; F620-F791 HydrophobicContact CE1-CE1 4.29Å; I621-F791 HydrophobicContact CD1-CE1 3.89Å; I621-F791 HydrophobicContact CD1-CZ 4.45Å; L789-F791 HydrophobicContact CD2-CE1 3.84Å; L789-F791 HydrophobicContact CD2-CZ 4.03Å; L789-F791 PolarHBondContact O-N 3.23Å; F791-F795 HydrophobicContact CD1-CD1 4.47Å; F791-F795 HydrophobicContact CD1-CD2 4.26Å; F791-F795 HydrophobicContact CD1-CE1 4.46Å; F791-F795 HydrophobicContact CD1-CE2 4.24Å; F791-F795 HydrophobicContact CD1-CG 4.37Å; F791-F795 HydrophobicContact CD1-CZ 4.35Å; F791-F795 HydrophobicContact CE1-CE2 4.49Å; F791-F795 HydrophobicContact CE1-CZ 4.49Å; F791-F796 HydrophobicContact CB-CE2 3.76Å; F791-F796 HydrophobicContact CB-CZ 3.88Å; F791-F796 WeakPolarHBondContact O-CE2 3.44Å | ||
| 792 | Q | 95.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 28.8 Ų | 28.8 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | trans | -73.2 | 169.8 | -171.7 | -60.5 | -61.6 | -17.4 | 0 | 0 | 114.3 | T699 N702 S790 Y794 F795 | T699-Q792 HydrophobicContact CG2-CB 4.4Å; T699-Q792 WeakPolarHBondContact OG1-CB 3.08Å; N702-Q792 HydrophobicContact CB-CG 3.68Å; S790-Q792 PolarHBondContact O-N 2.9Å; S790-Q792 PolarHBondContact OG-NE2 2.71Å; Q792-Y794 VanDerWaalsContact C-N 3.3Å; Q792-Y794 PolarHBondContact O-N 3.19Å; Q792-F795 WeakPolarHBondContact O-CB 3.45Å; Q792-F795 PolarHBondContact O-N 3.45Å | ||
| 793 | R | 94.3 | Very high | 92.2 | Very high | 94 Ų | 94 | 31.2 Ų | 31.2 | 36% | 0.355 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.7 | -43.7 | -171.3 | -174.5 | -178.8 | -174.2 | 156.3 | 9.5 | 112.8 | D696 F795 F796 Q797 | D696-R793 WeakPolarHBondContact OD2-CB 3.48Å; R793-F795 PolarHBondContact O-N 3.28Å; R793-F796 PolarHBondContact O-N 2.69Å; R793-Q797 HydrophobicContact CG-CG 3.69Å; R793-Q797 PolarHBondContact O-N 3.16Å |
| 794 | Y | 96 | Very high | 92 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 11% | 0.114 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -24.3 | -178.8 | -167.3 | -109.6 | 0 | 0 | 0 | 113.3 | F616 L692 D694 A695 D696 T699 Q792 F796 K798 | F616-Y794 HydrophobicContact CB-CE1 4.09Å; F616-Y794 AromaticContact CD1-CD1 3.51Å; F616-Y794 HydrophobicContact CD1-CD1 3.51Å; F616-Y794 AromaticContact CD1-CE1 3.87Å; F616-Y794 HydrophobicContact CD1-CE1 3.87Å; F616-Y794 HydrophobicContact CD2-CD1 4.36Å; F616-Y794 HydrophobicContact CD2-CE1 4.34Å; F616-Y794 AromaticContact CE1-CD1 3.65Å; F616-Y794 HydrophobicContact CE1-CD1 3.65Å; F616-Y794 HydrophobicContact CE1-CE1 4.42Å; F616-Y794 HydrophobicContact CE2-CD1 4.46Å; F616-Y794 AromaticContact CG-CD1 3.88Å; F616-Y794 HydrophobicContact CG-CD1 3.88Å; F616-Y794 AromaticContact CG-CE1 3.81Å; F616-Y794 HydrophobicContact CG-CE1 3.81Å; F616-Y794 HydrophobicContact CZ-CD1 4.13Å; L692-Y794 HydrophobicContact CD2-CD1 4.04Å; L692-Y794 HydrophobicContact CD2-CE1 3.46Å; L692-Y794 VanDerWaalsContact CD2-CE1 3.46Å; D694-Y794 HydrophobicContact CB-CE2 3.96Å; A695-Y794 HydrophobicContact CB-CD1 3.81Å; A695-Y794 HydrophobicContact CB-CD2 3.89Å; A695-Y794 HydrophobicContact CB-CE1 4.14Å; A695-Y794 HydrophobicContact CB-CE2 4.17Å; A695-Y794 HydrophobicContact CB-CG 3.69Å; D696-Y794 PolarHBondContact OD1-N 2.93Å; T699-Y794 HydrophobicContact CG2-CD1 4.33Å; T699-Y794 HydrophobicContact CG2-CG 4.42Å; T699-Y794 VanDerWaalsContact OG1-CB 3.23Å; T699-Y794 WeakPolarHBondContact OG1-CB 3.5Å; T699-Y794 PolarHBondContact OG1-N 3.17Å; Q792-Y794 VanDerWaalsContact C-N 3.3Å; Q792-Y794 PolarHBondContact O-N 3.19Å; Y794-F796 PolarHBondContact O-N 3.24Å; Y794-K798 HydrophobicContact CE2-CB 4.38Å; Y794-K798 HydrophobicContact CE2-CD 4.41Å; Y794-K798 HydrophobicContact CE2-CG 3.93Å |
| 795 | F | 97.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -32.6 | 174.5 | -165.2 | -89.9 | 0 | 0 | 0 | 112.3 | W561 L565 F568 F616 Q617 F620 I621 F791 Q792 R793 | W561-F795 HydrophobicContact CH2-CD1 4.03Å; W561-F795 AromaticContact CH2-CE1 3.79Å; W561-F795 HydrophobicContact CH2-CE1 3.79Å; W561-F795 HydrophobicContact CZ3-CE1 4.37Å; L565-F795 HydrophobicContact CD2-CD1 4.38Å; L565-F795 HydrophobicContact CD2-CE1 3.68Å; F568-F795 HydrophobicContact CD2-CZ 4.34Å; F568-F795 HydrophobicContact CE2-CZ 4.23Å; F616-F795 HydrophobicContact CE1-CB 4.18Å; F616-F795 HydrophobicContact CE1-CD2 4.02Å; Q617-F795 HydrophobicContact CB-CD2 4.34Å; Q617-F795 HydrophobicContact CB-CE2 3.79Å; Q617-F795 HydrophobicContact CB-CZ 3.94Å; Q617-F795 HydrophobicContact CG-CD1 4.29Å; Q617-F795 HydrophobicContact CG-CD2 3.9Å; Q617-F795 HydrophobicContact CG-CE1 4.18Å; Q617-F795 HydrophobicContact CG-CE2 3.79Å; Q617-F795 HydrophobicContact CG-CG 4.15Å; Q617-F795 HydrophobicContact CG-CZ 3.94Å; Q617-F795 WeakPolarHBondContact CG-O 3.44Å; Q617-F795 PolarHBondContact NE2-O 3.36Å; F620-F795 HydrophobicContact CD1-CD2 4.21Å; F620-F795 HydrophobicContact CD1-CE2 4.08Å; I621-F795 HydrophobicContact CD1-CE2 4.23Å; I621-F795 HydrophobicContact CD1-CZ 4.25Å; I621-F795 HydrophobicContact CG1-CE2 4.1Å; I621-F795 HydrophobicContact CG1-CZ 4.2Å; F791-F795 HydrophobicContact CD1-CD1 4.47Å; F791-F795 HydrophobicContact CD1-CD2 4.26Å; F791-F795 HydrophobicContact CD1-CE1 4.46Å; F791-F795 HydrophobicContact CD1-CE2 4.24Å; F791-F795 HydrophobicContact CD1-CG 4.37Å; F791-F795 HydrophobicContact CD1-CZ 4.35Å; F791-F795 HydrophobicContact CE1-CE2 4.49Å; F791-F795 HydrophobicContact CE1-CZ 4.49Å; Q792-F795 WeakPolarHBondContact O-CB 3.45Å; Q792-F795 PolarHBondContact O-N 3.45Å; R793-F795 PolarHBondContact O-N 3.28Å |
| 796 | F | 95.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -107.8 | -31.6 | -174.9 | -56 | -85.4 | 0 | 0 | 0 | 114.1 | R531 R535 W561 L565 F791 R793 Y794 | R531-F796 VanDerWaalsContact CD-CG 3.5Å; R531-F796 HydrophobicContact CG-CB 4.28Å; R531-F796 HydrophobicContact CG-CD1 3.77Å; R531-F796 HydrophobicContact CG-CD2 3.64Å; R531-F796 HydrophobicContact CG-CE1 3.94Å; R531-F796 HydrophobicContact CG-CE2 3.79Å; R531-F796 HydrophobicContact CG-CG 3.63Å; R531-F796 HydrophobicContact CG-CZ 3.95Å; R535-F796 HydrophobicContact CG-CE2 4.29Å; W561-F796 AromaticContact CZ2-CD1 3.91Å; W561-F796 HydrophobicContact CZ2-CD1 3.91Å; W561-F796 HydrophobicContact CZ2-CE1 4.46Å; L565-F796 HydrophobicContact CD1-CD1 4.44Å; L565-F796 HydrophobicContact CD1-CE1 3.99Å; L565-F796 HydrophobicContact CD2-CE1 3.75Å; L565-F796 HydrophobicContact CD2-CZ 4.49Å; F791-F796 HydrophobicContact CB-CE2 3.76Å; F791-F796 HydrophobicContact CB-CZ 3.88Å; F791-F796 WeakPolarHBondContact O-CE2 3.44Å; R793-F796 PolarHBondContact O-N 2.69Å; Y794-F796 PolarHBondContact O-N 3.24Å |
| 797 | Q | 92.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | trans | -147.6 | 125.7 | -174.2 | 64.5 | -172.2 | 4.5 | 0 | 0 | 111.8 | R793 | R793-Q797 HydrophobicContact CG-CG 3.69Å; R793-Q797 PolarHBondContact O-N 3.16Å | ||
| 798 | K | 88.8 | Confident | 91.1 | Very high | 100 Ų | 100 | 34.7 Ų | 34.7 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | trans | -91.3 | 117.6 | 174 | -174.9 | 173 | -158.4 | -157.6 | 0 | 109.1 | D694 Y794 Q800 S801 | D694-K798 WeakPolarHBondContact OD2-CE 3.41Å; D694-K798 IonicContact OD2-NZ 3.19Å; D694-K798 PolarHBondContact OD2-NZ 2.97Å; Y794-K798 HydrophobicContact CE2-CB 4.38Å; Y794-K798 HydrophobicContact CE2-CD 4.41Å; Y794-K798 HydrophobicContact CE2-CG 3.93Å; K798-Q800 WeakPolarHBondContact CE-O 3.34Å; K798-Q800 WeakPolarHBondContact CG-O 3.49Å; K798-S801 PolarHBondContact NZ-OG 3.49Å | ||
| 799 | L | 90.1 | Very high | 91 | Very high | 49 Ų | 49 | 35.4 Ų | 35.4 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -95.1 | -38.2 | -179.7 | -59.9 | -177.4 | 0 | 0 | 0 | 112.9 | T840 L843 F844 | L799-T840 PolarHBondContact O-OG1 3.34Å; L799-L843 HydrophobicContact CB-CD2 3.63Å; L799-L843 HydrophobicContact CD1-CD2 4.13Å; L799-F844 HydrophobicContact CB-CE2 4.03Å; L799-F844 HydrophobicContact CB-CZ 4.33Å; L799-F844 HydrophobicContact CD1-CE2 4.24Å; L799-F844 HydrophobicContact CD1-CZ 3.72Å |
| 800 | Q | 90.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | trans | -104.8 | 138.7 | 172.5 | -175.5 | 173.1 | -30.2 | 0 | 0 | 107.6 | D694 K798 L843 F844 R845 | D694-Q800 HydrophobicContact CB-CB 4.46Å; D694-Q800 WeakPolarHBondContact CB-O 3.26Å; D694-Q800 WeakPolarHBondContact OD1-CG 3.19Å; K798-Q800 WeakPolarHBondContact CE-O 3.34Å; K798-Q800 WeakPolarHBondContact CG-O 3.49Å; Q800-L843 HydrophobicContact CB-CB 4.47Å; Q800-F844 HydrophobicContact CB-CD2 4.06Å; Q800-R845 PolarHBondContact NE2-O 3.2Å | ||
| 801 | S | 89.1 | Confident | 89.8 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -135.5 | 122 | 172.5 | -171 | 0 | 0 | 0 | 0 | 109.8 | D694 K798 H837 G838 | D694-S801 WeakPolarHBondContact OD2-CA 3.43Å; K798-S801 PolarHBondContact NZ-OG 3.49Å; S801-H837 CarbonylContact O-C 3.57Å; S801-H837 WeakPolarHBondContact O-CA 3.24Å; S801-G838 PolarHBondContact O-N 3.05Å | ||
| 802 | T | 90.4 | Very high | 88.9 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.2 | -178.3 | -47.8 | 0 | 0 | 0 | 0 | 108.6 | F693 D694 V835 Q836 I847 | F693-T802 HydrophobicContact CD1-CG2 4.16Å; F693-T802 HydrophobicContact CE1-CG2 3.92Å; F693-T802 WeakPolarHBondContact CE1-OG1 3.13Å; D694-T802 VanDerWaalsContact OD1-CB 3.28Å; D694-T802 WeakPolarHBondContact OD1-CB 3.25Å; D694-T802 PolarHBondContact OD1-N 3.16Å; D694-T802 PolarHBondContact OD1-OG1 3.05Å; D694-T802 PolarHBondContact OD2-N 3.07Å; T802-V835 HydrophobicContact CG2-CG1 4.23Å; T802-Q836 WeakPolarHBondContact CA-O 3.22Å; T802-I847 HydrophobicContact CG2-CD1 3.7Å; T802-I847 HydrophobicContact CG2-CG1 4.43Å |
| 803 | S | 89 | Confident | 87.7 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 38% | 0.378 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 141.4 | 173.9 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | Q836 | S803-Q836 PolarHBondContact N-O 2.97Å; S803-Q836 PolarHBondContact O-N 3.4Å |
| 804 | I | 89.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.4 | 173.2 | -65.9 | 172.3 | 0 | 0 | 0 | 108.1 | L806 V834 V835 V850 F888 A908 V910 P922 | I804-L806 HydrophobicContact CG2-CD2 3.79Å; I804-L806 HydrophobicContact CG2-CG 4.15Å; I804-V834 WeakPolarHBondContact CA-O 3.34Å; I804-V835 HydrophobicContact CG1-CG2 4.39Å; I804-V850 HydrophobicContact CD1-CG1 4.04Å; I804-V850 HydrophobicContact CD1-CG2 4.08Å; I804-F888 HydrophobicContact CG2-CE1 4.15Å; I804-F888 HydrophobicContact CG2-CZ 3.92Å; I804-A908 HydrophobicContact CD1-CB 4.33Å; I804-A908 HydrophobicContact CG2-CB 4.4Å; I804-V910 HydrophobicContact CD1-CG2 3.48Å; I804-V910 VanDerWaalsContact CD1-CG2 3.48Å; I804-V910 HydrophobicContact CG1-CG2 4.45Å; I804-P922 HydrophobicContact CB-CG 4.43Å; I804-P922 HydrophobicContact CG2-CG 4.34Å; I804-P922 VanDerWaalsContact O-CD 3.31Å; I804-P922 WeakPolarHBondContact O-CD 3.43Å; I804-P922 VanDerWaalsContact O-CG 3.27Å; I804-P922 WeakPolarHBondContact O-CG 3.44Å |
| 805 | K | 87.1 | Confident | 85.5 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.8 | 168.9 | -167 | 170.7 | -168.7 | 176.2 | 0 | 108.9 | F57 G833 V834 | F57-K805 HydrophobicContact CE1-CD 4.03Å; F57-K805 HydrophobicContact CE1-CG 4.42Å; F57-K805 HydrophobicContact CZ-CD 3.69Å; F57-K805 HydrophobicContact CZ-CG 4.5Å; K805-G833 CarbonylContact O-C 3.58Å; K805-G833 VanDerWaalsContact O-CA 3.24Å; K805-G833 WeakPolarHBondContact O-CA 3.49Å; K805-V834 PolarHBondContact N-O 3.2Å; K805-V834 PolarHBondContact O-N 2.73Å |
| 806 | L | 88.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.9 | 176.9 | -63.3 | 179.6 | 0 | 0 | 0 | 111.2 | I804 V831 E832 L852 F888 V906 A908 P922 | I804-L806 HydrophobicContact CG2-CD2 3.79Å; I804-L806 HydrophobicContact CG2-CG 4.15Å; L806-V831 HydrophobicContact CD2-CG1 4.19Å; L806-E832 CarbonylContact C-O 3.52Å; L806-E832 WeakPolarHBondContact CA-O 3.37Å; L806-L852 HydrophobicContact CD2-CD2 4.18Å; L806-F888 HydrophobicContact CD2-CE2 3.95Å; L806-F888 HydrophobicContact CD2-CZ 3.71Å; L806-V906 HydrophobicContact CD1-CG1 4.13Å; L806-A908 HydrophobicContact CD1-CB 4.06Å; L806-A908 HydrophobicContact CD2-CB 4.41Å; L806-P922 HydrophobicContact CB-CG 4.47Å; L806-P922 HydrophobicContact CD1-CG 3.86Å; L806-P922 HydrophobicContact CG-CG 3.74Å |
| 807 | A | 84.8 | Confident | 83.7 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | E832 | A807-E832 HydrophobicContact CB-CB 4.5Å; A807-E832 PolarHBondContact N-O 3.39Å; A807-E832 PolarHBondContact O-N 3.42Å |
| 808 | L | 87.4 | Confident | 83.5 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134 | -177.5 | -57.6 | -179.7 | 0 | 0 | 0 | 109.7 | L829 V831 V906 T924 V926 | L808-L829 HydrophobicContact CB-CD1 4.33Å; L808-V831 HydrophobicContact CD2-CB 4.19Å; L808-V831 HydrophobicContact CD2-CG1 3.92Å; L808-V831 HydrophobicContact CD2-CG2 3.7Å; L808-V906 HydrophobicContact CD1-CG2 4.08Å; L808-V906 HydrophobicContact CD2-CB 4.23Å; L808-V906 HydrophobicContact CD2-CG1 4.31Å; L808-V906 HydrophobicContact CD2-CG2 3.86Å; L808-T924 HydrophobicContact CD1-CG2 3.51Å; L808-T924 HydrophobicContact CG-CG2 4.23Å; L808-V926 HydrophobicContact CB-CG2 4.37Å; L808-V926 HydrophobicContact CD1-CG2 3.4Å |
| 809 | S | 84.5 | Confident | 83.5 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | K830 | S809-K830 PolarHBondContact N-O 2.99Å; S809-K830 PolarHBondContact O-N 3.34Å; S809-K830 WeakPolarHBondContact OG-CB 3.28Å; S809-K830 PolarHBondContact OG-O 3.46Å |
| 810 | P | 83.9 | Confident | 83.4 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | S | Bend | cis | -68.4 | 140.7 | 4.6 | 27 | -33.2 | 0 | 0 | 0 | 113.8 | I819 L827 T828 | P810-I819 HydrophobicContact CB-CD1 4.44Å; P810-I819 HydrophobicContact CG-CD1 4.09Å; P810-I819 HydrophobicContact CG-CG2 4.42Å; P810-I819 VanDerWaalsContact O-CD1 3.28Å; P810-I819 WeakPolarHBondContact O-CD1 3.47Å; P810-L827 HydrophobicContact CG-CD1 3.99Å; P810-T828 WeakPolarHBondContact CD-O 3.29Å |
| 811 | S | 76.4 | Confident | 83.3 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 141.7 | 173.1 | 57 | 0 | 0 | 0 | 0 | 110.1 | ||
| 812 | P | 76.3 | Confident | 83.2 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 146.7 | 176.9 | 30.7 | -36 | 0 | 0 | 0 | 110.4 | T814 E817 I819 | P812-T814 VanDerWaalsContact C-N 3.25Å; P812-T814 WeakPolarHBondContact CB-O 3.42Å; P812-T814 PolarHBondContact O-N 3.34Å; P812-E817 WeakPolarHBondContact CB-O 3.43Å; P812-I819 HydrophobicContact CB-CG1 4.42Å |
| 813 | R | 69.4 | Low | 82.9 | Confident | 235 Ų | 235 | 65.7 Ų | 65.7 | 89% | 0.887 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -65.1 | -32.5 | 179.8 | -71.3 | -178 | -179.5 | 169.1 | 0.6 | 112.1 | ||
| 814 | T | 74.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.393 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -135.1 | 145.3 | 169.6 | 56.8 | 0 | 0 | 0 | 0 | 109 | P812 S816 E817 | P812-T814 VanDerWaalsContact C-N 3.25Å; P812-T814 WeakPolarHBondContact CB-O 3.42Å; P812-T814 PolarHBondContact O-N 3.34Å; T814-S816 PolarHBondContact O-N 3.39Å; T814-E817 PolarHBondContact O-N 2.96Å; T814-E817 WeakPolarHBondContact OG1-CB 3.4Å |
| 815 | P | 69.2 | Low | 82.2 | Confident | 137 Ų | 137 | 70.8 Ų | 70.8 | 89% | 0.89 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.2 | -173.7 | -25.4 | 33.6 | 0 | 0 | 0 | 115.1 | ||
| 816 | S | 73.3 | Confident | 82.2 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 76% | 0.762 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -10.9 | -179.5 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | T814 | T814-S816 PolarHBondContact O-N 3.39Š|
| 817 | E | 83.7 | Confident | 82.3 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -93.4 | 128.6 | -175.9 | -172 | 179.8 | -171.4 | 0 | 0 | 111.4 | P812 T814 | P812-E817 WeakPolarHBondContact CB-O 3.43Å; T814-E817 PolarHBondContact O-N 2.96Å; T814-E817 WeakPolarHBondContact OG1-CB 3.4Å |
| 818 | P | 86.4 | Confident | 82.7 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 23% | 0.234 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 148.2 | 178.3 | 31.3 | -35 | 0 | 0 | 0 | 111.7 | P820 S927 K929 | P818-P820 WeakPolarHBondContact O-CD 3.3Å; P818-S927 CarbonylContact C-O 3.56Å; P818-S927 WeakPolarHBondContact CA-O 3.45Å; P818-K929 HydrophobicContact CB-CB 3.81Å; P818-K929 HydrophobicContact CG-CB 3.85Å; P818-K929 HydrophobicContact CG-CD 4.23Å |
| 819 | I | 89.3 | Confident | 83 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 119.8 | 175.3 | -56.3 | -179.3 | 0 | 0 | 0 | 108.9 | P810 P812 V821 L827 V926 S927 V928 K929 | P810-I819 HydrophobicContact CB-CD1 4.44Å; P810-I819 HydrophobicContact CG-CD1 4.09Å; P810-I819 HydrophobicContact CG-CG2 4.42Å; P810-I819 VanDerWaalsContact O-CD1 3.28Å; P810-I819 WeakPolarHBondContact O-CD1 3.47Å; P812-I819 HydrophobicContact CB-CG1 4.42Å; I819-V821 HydrophobicContact CG2-CG2 4.39Å; I819-L827 HydrophobicContact CG2-CD1 4.48Å; I819-V926 HydrophobicContact CD1-CG1 3.55Å; I819-V926 HydrophobicContact CG1-CG1 4.2Å; I819-S927 PolarHBondContact N-O 3.07Å; I819-V928 CarbonylContact O-C 3.58Å; I819-V928 WeakPolarHBondContact O-CA 3.41Å; I819-K929 PolarHBondContact O-N 3.26Å |
| 820 | P | 88.7 | Confident | 83.3 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 129.2 | 179.7 | 30.2 | -33 | 0 | 0 | 0 | 110.7 | P818 L931 | P818-P820 WeakPolarHBondContact O-CD 3.3Å; P820-L931 HydrophobicContact CB-CD1 3.94Å |
| 821 | V | 88.8 | Confident | 83.6 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.3 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | I819 L827 F896 V928 K929 S930 L931 | I819-V821 HydrophobicContact CG2-CG2 4.39Å; V821-L827 HydrophobicContact CG1-CB 4.46Å; V821-L827 HydrophobicContact CG2-CB 4.16Å; V821-L827 HydrophobicContact CG2-CD1 3.95Å; V821-L827 HydrophobicContact CG2-CD2 4.29Å; V821-L827 HydrophobicContact CG2-CG 4.36Å; V821-F896 HydrophobicContact CG1-CD2 4.33Å; V821-V928 HydrophobicContact CB-CG1 4.23Å; V821-V928 HydrophobicContact CG2-CG1 3.69Å; V821-K929 PolarHBondContact N-O 3.38Å; V821-S930 WeakPolarHBondContact O-CA 3.42Å; V821-L931 PolarHBondContact O-N 3.5Å |
| 822 | Q | 86.8 | Confident | 84.1 | Confident | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139 | 173.5 | -66.2 | -179.6 | -14.1 | 0 | 0 | 109.6 | S824 Q825 L931 | Q822-S824 PolarHBondContact O-N 2.67Å; Q822-S824 VanDerWaalsContact O-N 3.1Å; Q822-Q825 HydrophobicContact CB-CB 4.23Å; Q822-Q825 HydrophobicContact CB-CG 3.98Å; Q822-Q825 PolarHBondContact O-N 3.06Å; Q822-Q825 VanDerWaalsContact OE1-CD 3.28Å; Q822-L931 CarbonylContact C-O 3.52Å |
| 823 | N | 83 | Confident | 84.7 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 21% | 0.214 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.1 | -177.4 | 69.2 | -22 | 0 | 0 | 0 | 114.3 | F896 L899 S930 L931 D933 | N823-F896 WeakPolarHBondContact CA-O 3.37Å; N823-L899 HydrophobicContact CB-CD2 3.86Å; N823-S930 WeakPolarHBondContact CB-OG 3.39Å; N823-L931 WeakPolarHBondContact CB-O 3.47Å; N823-L931 PolarHBondContact N-O 3.37Å; N823-L931 PolarHBondContact OD1-O 3.21Å; N823-D933 PolarHBondContact OD1-N 3.04Å |
| 824 | S | 80.6 | Confident | 85.5 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 51% | 0.51 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -9 | 172.7 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | Q822 D933 | Q822-S824 PolarHBondContact O-N 2.67Å; Q822-S824 VanDerWaalsContact O-N 3.1Å; S824-D933 WeakPolarHBondContact CB-OD2 3.44Å; S824-D933 PolarHBondContact OG-OD2 3.23Å |
| 825 | Q | 84.1 | Confident | 86.2 | Confident | 104 Ų | 104 | 50 Ų | 50 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -107.6 | 154.4 | -178.2 | -65.3 | -177.7 | -8.8 | 0 | 0 | 112 | Q822 | Q822-Q825 HydrophobicContact CB-CB 4.23Å; Q822-Q825 HydrophobicContact CB-CG 3.98Å; Q822-Q825 PolarHBondContact O-N 3.06Å; Q822-Q825 VanDerWaalsContact OE1-CD 3.28Å |
| 826 | Q | 87.4 | Confident | 86.9 | Confident | 109 Ų | 109 | 46.8 Ų | 46.8 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 146.9 | 170.9 | -48.6 | -168.5 | -55.1 | 0 | 0 | 109.8 | L894 N895 | Q826-L894 WeakPolarHBondContact CA-O 2.96Å; Q826-N895 WeakPolarHBondContact CG-OD1 3.06Å; Q826-N895 PolarHBondContact NE2-OD1 3.42Å |
| 827 | L | 90.6 | Very high | 87.4 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.1 | 170 | 179 | 64.9 | 0 | 0 | 0 | 109.5 | P810 I819 V821 L829 L894 F896 V928 | P810-L827 HydrophobicContact CG-CD1 3.99Å; I819-L827 HydrophobicContact CG2-CD1 4.48Å; V821-L827 HydrophobicContact CG1-CB 4.46Å; V821-L827 HydrophobicContact CG2-CB 4.16Å; V821-L827 HydrophobicContact CG2-CD1 3.95Å; V821-L827 HydrophobicContact CG2-CD2 4.29Å; V821-L827 HydrophobicContact CG2-CG 4.36Å; L827-L829 PolarHBondContact O-N 3.44Å; L827-L894 HydrophobicContact CB-CB 4.45Å; L827-L894 PolarHBondContact N-O 3Å; L827-L894 PolarHBondContact O-N 3.4Å; L827-F896 HydrophobicContact CB-CD2 4.21Å; L827-F896 HydrophobicContact CB-CE2 3.74Å; L827-F896 HydrophobicContact CD2-CE2 3.78Å; L827-F896 HydrophobicContact CD2-CZ 4.38Å; L827-F896 HydrophobicContact CG-CE2 4.41Å; L827-V928 HydrophobicContact CD2-CG1 4.29Å; L827-V928 HydrophobicContact CD2-CG2 3.86Å |
| 828 | T | 92.9 | Very high | 87.2 | Confident | 67 Ų | 67 | 41.9 Ų | 41.9 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 113.1 | 166.3 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | P810 Q891 F892 L893 | P810-T828 WeakPolarHBondContact CD-O 3.29Å; T828-Q891 HydrophobicContact CG2-CB 4.43Å; T828-F892 CarbonylContact C-O 3.58Å; T828-F892 WeakPolarHBondContact CA-O 3.37Å; T828-L893 HydrophobicContact CG2-CD2 4.25Å; T828-L893 VanDerWaalsContact OG1-CD2 3.25Å; T828-L893 WeakPolarHBondContact OG1-CD2 3.33Å |
| 829 | L | 92.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 106.4 | 173.7 | -177.3 | 69.5 | 0 | 0 | 0 | 109.1 | L808 L827 V831 V854 Q891 F892 L894 V904 V906 | L808-L829 HydrophobicContact CB-CD1 4.33Å; L827-L829 PolarHBondContact O-N 3.44Å; L829-V831 HydrophobicContact CD2-CG2 4.26Å; L829-V831 HydrophobicContact CG-CG2 4.17Å; L829-V854 HydrophobicContact CD2-CG1 4.25Å; L829-Q891 WeakPolarHBondContact O-CA 3.16Å; L829-F892 HydrophobicContact CB-CB 4.44Å; L829-F892 PolarHBondContact N-O 3.04Å; L829-F892 PolarHBondContact O-N 2.97Å; L829-L894 HydrophobicContact CB-CD1 4.22Å; L829-L894 HydrophobicContact CD2-CD1 4.09Å; L829-V904 HydrophobicContact CD2-CG1 4.05Å; L829-V906 HydrophobicContact CD2-CG2 3.8Å |
| 830 | K | 90.8 | Very high | 86 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.5 | 170.8 | -179.3 | -169.8 | -168.8 | -158.8 | 0 | 109.3 | S809 E832 T890 Q891 | S809-K830 PolarHBondContact N-O 2.99Å; S809-K830 PolarHBondContact O-N 3.34Å; S809-K830 WeakPolarHBondContact OG-CB 3.28Å; S809-K830 PolarHBondContact OG-O 3.46Å; K830-E832 HydrophobicContact CD-CG 4.27Å; K830-E832 WeakPolarHBondContact CE-OE1 3.35Å; K830-E832 HydrophobicContact CG-CG 4.24Å; K830-E832 IonicContact NZ-OE1 3.01Å; K830-E832 PolarHBondContact NZ-OE1 3.06Å; K830-T890 CarbonylContact C-O 3.36Å; K830-T890 WeakPolarHBondContact CA-O 3.48Å; K830-Q891 HydrophobicContact CB-CG 4.03Å; K830-Q891 HydrophobicContact CG-CG 4.04Å |
| 831 | V | 91 | Very high | 85.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | L806 L808 L829 L852 S889 T890 F892 V906 | L806-V831 HydrophobicContact CD2-CG1 4.19Å; L808-V831 HydrophobicContact CD2-CB 4.19Å; L808-V831 HydrophobicContact CD2-CG1 3.92Å; L808-V831 HydrophobicContact CD2-CG2 3.7Å; L829-V831 HydrophobicContact CD2-CG2 4.26Å; L829-V831 HydrophobicContact CG-CG2 4.17Å; V831-L852 HydrophobicContact CB-CD1 4.33Å; V831-L852 HydrophobicContact CG1-CD1 3.93Å; V831-L852 HydrophobicContact CG1-CD2 4.25Å; V831-S889 CarbonylContact O-C 3.59Å; V831-S889 WeakPolarHBondContact O-CA 3.32Å; V831-T890 HydrophobicContact CB-CG2 4.38Å; V831-T890 PolarHBondContact N-O 2.9Å; V831-T890 PolarHBondContact O-N 2.62Å; V831-F892 HydrophobicContact CB-CD2 4.47Å; V831-F892 HydrophobicContact CB-CE2 4.14Å; V831-F892 HydrophobicContact CG2-CD2 3.66Å; V831-F892 HydrophobicContact CG2-CE2 3.65Å; V831-V906 HydrophobicContact CG1-CG1 4.07Å; V831-V906 HydrophobicContact CG2-CG1 4.19Å; V831-V906 HydrophobicContact CG2-CG2 4.43Å |
| 832 | E | 87.5 | Confident | 85.2 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 143.4 | 174.6 | -61.5 | -177 | 121.3 | 0 | 0 | 108.8 | L806 A807 K830 Y887 F888 | L806-E832 CarbonylContact C-O 3.52Å; L806-E832 WeakPolarHBondContact CA-O 3.37Å; A807-E832 HydrophobicContact CB-CB 4.5Å; A807-E832 PolarHBondContact N-O 3.39Å; A807-E832 PolarHBondContact O-N 3.42Å; K830-E832 HydrophobicContact CD-CG 4.27Å; K830-E832 WeakPolarHBondContact CE-OE1 3.35Å; K830-E832 HydrophobicContact CG-CG 4.24Å; K830-E832 IonicContact NZ-OE1 3.01Å; K830-E832 PolarHBondContact NZ-OE1 3.06Å; E832-Y887 HydrophobicContact CB-CE2 4.14Å; E832-Y887 PolarHBondContact OE1-OH 2.93Å; E832-F888 WeakPolarHBondContact CA-O 3.33Å |
| 833 | G | 88.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K805 Y887 F888 | K805-G833 CarbonylContact O-C 3.58Å; K805-G833 VanDerWaalsContact O-CA 3.24Å; K805-G833 WeakPolarHBondContact O-CA 3.49Å; G833-Y887 WeakPolarHBondContact O-CA 3.44Å; G833-Y887 VanDerWaalsContact O-CD2 3.27Å; G833-Y887 WeakPolarHBondContact O-CD2 3.43Å; G833-F888 VanDerWaalsContact CA-CZ 3.46Å; G833-F888 PolarHBondContact N-O 3.07Å; G833-F888 PolarHBondContact O-N 2.95Å |
| 834 | V | 86.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.6 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 109 | P56 I804 K805 Q836 D886 Y887 | P56-V834 HydrophobicContact CB-CG1 3.99Å; P56-V834 HydrophobicContact CG-CB 4.31Å; P56-V834 HydrophobicContact CG-CG1 3.66Å; P56-V834 HydrophobicContact CG-CG2 4.35Å; P56-V834 WeakPolarHBondContact O-CG2 3.48Å; I804-V834 WeakPolarHBondContact CA-O 3.34Å; K805-V834 PolarHBondContact N-O 3.2Å; K805-V834 PolarHBondContact O-N 2.73Å; V834-Q836 HydrophobicContact CG1-CG 4.43Å; V834-D886 CarbonylContact C-O 3.42Å; V834-D886 VanDerWaalsContact CA-O 3.25Å; V834-D886 WeakPolarHBondContact CA-O 3.18Å; V834-D886 WeakPolarHBondContact CG1-O 3.4Å; V834-Y887 HydrophobicContact CG2-CD2 4.04Å |
| 835 | V | 88.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.5 | 169.1 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | T802 I804 H837 I847 P883 D886 F888 | T802-V835 HydrophobicContact CG2-CG1 4.23Å; I804-V835 HydrophobicContact CG1-CG2 4.39Å; V835-H837 WeakPolarHBondContact CG1-CE1 3.23Å; V835-H837 WeakPolarHBondContact CG1-NE2 3.28Å; V835-I847 HydrophobicContact CB-CD1 4.42Å; V835-I847 HydrophobicContact CG1-CD1 3.44Å; V835-I847 VanDerWaalsContact CG1-CD1 3.44Å; V835-I847 HydrophobicContact CG2-CD1 4.06Å; V835-P883 HydrophobicContact CG2-CB 4.37Å; V835-D886 HydrophobicContact CB-CB 4.06Å; V835-D886 PolarHBondContact N-O 3.15Å; V835-D886 WeakPolarHBondContact O-CB 3.34Å; V835-F888 HydrophobicContact CG2-CE1 4.41Å |
| 836 | Q | 84.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.8 | 174.7 | -63.9 | 179.4 | -47.3 | 0 | 0 | 108.3 | T802 S803 V834 | T802-Q836 WeakPolarHBondContact CA-O 3.22Å; S803-Q836 PolarHBondContact N-O 2.97Å; S803-Q836 PolarHBondContact O-N 3.4Å; V834-Q836 HydrophobicContact CG1-CG 4.43Å |
| 837 | H | 83.8 | Confident | 86.9 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.3 | 177.3 | -54.1 | -77.7 | 0 | 0 | 0 | 109.8 | S801 V835 P841 D886 | S801-H837 CarbonylContact O-C 3.57Å; S801-H837 WeakPolarHBondContact O-CA 3.24Å; V835-H837 WeakPolarHBondContact CG1-CE1 3.23Å; V835-H837 WeakPolarHBondContact CG1-NE2 3.28Å; H837-P841 HydrophobicContact CB-CB 3.77Å; H837-P841 HydrophobicContact CB-CG 4.47Å; H837-D886 IonicContact CD2-OD1 2.8Å; H837-D886 PolarHBondContact CD2-OD1 2.85Å; H837-D886 IonicContact CD2-OD2 3.94Å; H837-D886 IonicContact CE1-OD1 4Å; H837-D886 IonicContact NE2-OD1 2.97Å; H837-D886 PolarHBondContact NE2-OD1 3.38Å; H837-D886 IonicContact NE2-OD2 3.04Å |
| 838 | G | 80.2 | Confident | 87.1 | Confident | 37 Ų | 37 | 49 Ų | 49 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | trans | -70.7 | -157.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S801 T840 | S801-G838 PolarHBondContact O-N 3.05Å; G838-T840 VanDerWaalsContact C-N 3.3Å; G838-T840 PolarHBondContact O-N 2.97Å | ||
| 839 | S | 72.7 | Confident | 87.1 | Confident | 114 Ų | 114 | 46 Ų | 46 | 80% | 0.797 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -64.7 | -27.7 | -174.7 | 52.3 | 0 | 0 | 0 | 0 | 115 | ||
| 840 | T | 76.4 | Confident | 87.3 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -130.2 | 81.5 | -176.9 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | L799 G838 | L799-T840 PolarHBondContact O-OG1 3.34Å; G838-T840 VanDerWaalsContact C-N 3.3Å; G838-T840 PolarHBondContact O-N 2.97Å |
| 841 | P | 80.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 53% | 0.526 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 139 | 174.4 | 23.9 | -32 | 0 | 0 | 0 | 110.9 | H837 L843 | H837-P841 HydrophobicContact CB-CB 3.77Å; H837-P841 HydrophobicContact CB-CG 4.47Å; P841-L843 VanDerWaalsContact C-N 3.34Å; P841-L843 PolarHBondContact O-N 3.45Å |
| 842 | G | 82.4 | Confident | 87.7 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 24.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R845 | G842-R845 WeakPolarHBondContact CA-O 3.36Š|
| 843 | L | 89.8 | Confident | 88 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -64.6 | -47 | 179.2 | 179.4 | 64.7 | 0 | 0 | 0 | 112.3 | L799 Q800 P841 | L799-L843 HydrophobicContact CB-CD2 3.63Å; L799-L843 HydrophobicContact CD1-CD2 4.13Å; Q800-L843 HydrophobicContact CB-CB 4.47Å; P841-L843 VanDerWaalsContact C-N 3.34Å; P841-L843 PolarHBondContact O-N 3.45Å |
| 844 | F | 90.8 | Very high | 88.3 | Confident | 76 Ų | 76 | 45.2 Ų | 45.2 | 33% | 0.333 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -107.9 | -45.9 | 177.6 | -59.3 | -56.8 | 0 | 0 | 0 | 111.7 | D696 L799 Q800 | D696-F844 HydrophobicContact CB-CE1 4.05Å; D696-F844 HydrophobicContact CB-CE2 4.1Å; D696-F844 HydrophobicContact CB-CZ 3.73Å; L799-F844 HydrophobicContact CB-CE2 4.03Å; L799-F844 HydrophobicContact CB-CZ 4.33Å; L799-F844 HydrophobicContact CD1-CE2 4.24Å; L799-F844 HydrophobicContact CD1-CZ 3.72Å; Q800-F844 HydrophobicContact CB-CD2 4.06Å |
| 845 | R | 92.4 | Very high | 88.6 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | trans | -142.4 | 149.5 | -178.2 | -79.4 | 168.9 | -67.1 | -77.1 | -14.4 | 111 | F693 A695 Q800 G842 | F693-R845 HydrophobicContact CE2-CB 3.91Å; F693-R845 HydrophobicContact CZ-CB 3.97Å; F693-R845 VanDerWaalsContact O-CZ 3.27Å; F693-R845 PolarHBondContact O-NE 2.96Å; F693-R845 PolarHBondContact O-NH2 3.12Å; A695-R845 PolarHBondContact O-NH2 3Å; Q800-R845 PolarHBondContact NE2-O 3.2Å; G842-R845 WeakPolarHBondContact CA-O 3.36Å | ||
| 846 | K | 91.6 | Very high | 88.6 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | trans | -114.6 | 149.1 | 176.5 | -71.1 | 174.4 | 177.7 | 177.3 | 0 | 110.3 | D912 E913 | K846-D912 VanDerWaalsContact O-CA 3.3Å; K846-D912 WeakPolarHBondContact O-CA 3.46Å; K846-D912 WeakPolarHBondContact O-CB 3.37Å; K846-E913 HydrophobicContact CB-CG 4.14Å; K846-E913 VanDerWaalsContact CD-OE1 3.24Å; K846-E913 WeakPolarHBondContact CD-OE1 3.44Å | ||
| 847 | I | 92.3 | Very high | 88.8 | Confident | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123 | 175 | -53.5 | -168.9 | 0 | 0 | 0 | 108.6 | F693 T802 V835 V850 P883 V910 | F693-I847 HydrophobicContact CE1-CG1 4.22Å; F693-I847 HydrophobicContact CZ-CG1 3.83Å; T802-I847 HydrophobicContact CG2-CD1 3.7Å; T802-I847 HydrophobicContact CG2-CG1 4.43Å; V835-I847 HydrophobicContact CB-CD1 4.42Å; V835-I847 HydrophobicContact CG1-CD1 3.44Å; V835-I847 VanDerWaalsContact CG1-CD1 3.44Å; V835-I847 HydrophobicContact CG2-CD1 4.06Å; I847-V850 HydrophobicContact CG2-CG2 4.35Å; I847-P883 HydrophobicContact CG2-CG 4.07Å; I847-V910 HydrophobicContact CB-CG1 4.1Å; I847-V910 HydrophobicContact CD1-CG1 3.88Å; I847-V910 HydrophobicContact CD1-CG2 4.06Å; I847-V910 HydrophobicContact CG1-CG1 3.6Å; I847-V910 HydrophobicContact CG2-CG1 3.89Å |
| 848 | Q | 93.7 | Very high | 88.9 | Confident | 86 Ų | 86 | 46.5 Ų | 46.5 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -47 | 168.2 | -176.2 | -177.3 | 24.5 | 0 | 0 | 110.6 | V911 D912 | Q848-V911 PolarHBondContact N-O 3.27Å; Q848-D912 PolarHBondContact OE1-O 3.35Å |
| 849 | S | 94.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 166 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 112 | R880 V881 V911 | S849-R880 VanDerWaalsContact OG-CD 3.32Å; S849-R880 WeakPolarHBondContact OG-CD 3.38Å; S849-R880 WeakPolarHBondContact OG-CG 3.16Å; S849-V881 CarbonylContact C-O 3.54Å; S849-V881 WeakPolarHBondContact CA-O 3.49Å; S849-V881 WeakPolarHBondContact CB-O 3.3Å; S849-V911 PolarHBondContact N-O 3.47Å; S849-V911 PolarHBondContact O-N 3.34Å; S849-V911 WeakPolarHBondContact OG-CB 3.47Å |
| 850 | V | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.9 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | I804 I847 L852 R880 V881 P883 F888 A908 S909 | I804-V850 HydrophobicContact CD1-CG1 4.04Å; I804-V850 HydrophobicContact CD1-CG2 4.08Å; I847-V850 HydrophobicContact CG2-CG2 4.35Å; V850-L852 HydrophobicContact CG1-CD2 4.11Å; V850-L852 HydrophobicContact CG1-CG 4.32Å; V850-R880 WeakPolarHBondContact O-CA 3.47Å; V850-V881 HydrophobicContact CB-CG1 4.19Å; V850-V881 PolarHBondContact N-O 3.19Å; V850-V881 WeakPolarHBondContact O-CG1 3.48Å; V850-V881 PolarHBondContact O-N 3.35Å; V850-P883 HydrophobicContact CG2-CG 4.46Å; V850-F888 HydrophobicContact CB-CD1 4.46Å; V850-F888 HydrophobicContact CB-CE1 4.19Å; V850-F888 HydrophobicContact CB-CZ 4.24Å; V850-F888 HydrophobicContact CG1-CE1 4.12Å; V850-F888 HydrophobicContact CG1-CE2 4.22Å; V850-F888 HydrophobicContact CG1-CZ 3.75Å; V850-F888 HydrophobicContact CG2-CD1 4.05Å; V850-F888 HydrophobicContact CG2-CE1 3.77Å; V850-F888 HydrophobicContact CG2-CZ 4.28Å; V850-A908 HydrophobicContact CG1-CB 4.16Å; V850-S909 CarbonylContact C-O 3.49Å; V850-S909 WeakPolarHBondContact CA-O 3.28Å; V850-S909 WeakPolarHBondContact CG1-O 3.15Å |
| 851 | C | 95.2 | Very high | 88 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.7 | 170.7 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | Q879 A908 S909 V911 | C851-Q879 WeakPolarHBondContact CA-O 3.42Å; C851-A908 CarbonylContact O-C 3.54Å; C851-A908 WeakPolarHBondContact O-CA 3.08Å; C851-S909 WeakPolarHBondContact CB-OG 3.32Å; C851-S909 PolarHBondContact N-O 2.92Å; C851-S909 PolarHBondContact O-N 3.47Å; C851-S909 PolarHBondContact O-OG 2.94Å; C851-V911 HydrophobicContact CB-CG2 4.42Å |
| 852 | L | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.5 | 179.9 | -67.2 | 170.7 | 0 | 0 | 0 | 107.9 | L806 V831 V850 D878 Q879 V881 F888 T890 F892 E907 A908 | L806-L852 HydrophobicContact CD2-CD2 4.18Å; V831-L852 HydrophobicContact CB-CD1 4.33Å; V831-L852 HydrophobicContact CG1-CD1 3.93Å; V831-L852 HydrophobicContact CG1-CD2 4.25Å; V850-L852 HydrophobicContact CG1-CD2 4.11Å; V850-L852 HydrophobicContact CG1-CG 4.32Å; L852-D878 CarbonylContact O-C 3.5Å; L852-D878 WeakPolarHBondContact O-CA 3.41Å; L852-Q879 PolarHBondContact N-O 3.15Å; L852-Q879 PolarHBondContact O-N 3.27Å; L852-V881 HydrophobicContact CD1-CG1 4.2Å; L852-F888 HydrophobicContact CD1-CD2 4.16Å; L852-F888 HydrophobicContact CD1-CE2 3.83Å; L852-F888 HydrophobicContact CD2-CE2 3.99Å; L852-F888 HydrophobicContact CD2-CZ 4.44Å; L852-F888 HydrophobicContact CG-CE2 4.28Å; L852-T890 HydrophobicContact CD1-CG2 3.48Å; L852-T890 VanDerWaalsContact CD1-CG2 3.48Å; L852-F892 HydrophobicContact CB-CE2 4.28Å; L852-F892 HydrophobicContact CB-CZ 3.79Å; L852-F892 HydrophobicContact CD1-CE2 4.34Å; L852-F892 HydrophobicContact CD1-CZ 4.45Å; L852-E907 CarbonylContact C-O 3.6Å; L852-E907 WeakPolarHBondContact CA-O 3.38Å; L852-A908 HydrophobicContact CD2-CB 3.79Å |
| 853 | N | 93.7 | Very high | 85.1 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.6 | 175.4 | -172.1 | -31.6 | 0 | 0 | 0 | 109.3 | T855 V906 E907 | N853-T855 WeakPolarHBondContact OD1-CG2 3.42Å; N853-V906 CarbonylContact O-C 3.6Å; N853-V906 WeakPolarHBondContact O-CA 3.47Å; N853-E907 PolarHBondContact N-O 2.93Å; N853-E907 PolarHBondContact O-N 3.34Å |
| 854 | V | 94.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.3 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | L829 E876 I877 F892 L894 V904 T905 V906 | L829-V854 HydrophobicContact CD2-CG1 4.25Å; V854-E876 WeakPolarHBondContact O-CA 3.43Å; V854-I877 PolarHBondContact N-O 2.77Å; V854-I877 PolarHBondContact O-N 3.1Å; V854-F892 HydrophobicContact CB-CD1 4.23Å; V854-F892 HydrophobicContact CB-CE1 4.42Å; V854-F892 HydrophobicContact CB-CG 4.38Å; V854-F892 HydrophobicContact CG2-CD1 3.75Å; V854-F892 HydrophobicContact CG2-CD2 3.61Å; V854-F892 HydrophobicContact CG2-CE1 3.71Å; V854-F892 HydrophobicContact CG2-CE2 3.55Å; V854-F892 HydrophobicContact CG2-CG 3.7Å; V854-F892 HydrophobicContact CG2-CZ 3.62Å; V854-L894 HydrophobicContact CG1-CD1 4.09Å; V854-L894 HydrophobicContact CG1-CD2 3.86Å; V854-V904 HydrophobicContact CG1-CG1 3.63Å; V854-T905 CarbonylContact C-O 3.6Å; V854-T905 VanDerWaalsContact CA-O 3.31Å; V854-T905 WeakPolarHBondContact CA-O 3.4Å; V854-V906 HydrophobicContact CG1-CG2 4.33Å; V854-V906 HydrophobicContact CG2-CG1 4.21Å; V854-V906 HydrophobicContact CG2-CG2 4.04Å |
| 855 | T | 92.4 | Very high | 80.6 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149 | 176.4 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | N853 N875 E876 V904 T905 | N853-T855 WeakPolarHBondContact OD1-CG2 3.42Å; T855-N875 CarbonylContact C-O 3.48Å; T855-N875 WeakPolarHBondContact CA-O 3.41Å; T855-E876 HydrophobicContact CG2-CG 4.12Å; T855-V904 CarbonylContact O-C 3.58Å; T855-V904 VanDerWaalsContact O-CA 3.3Å; T855-V904 WeakPolarHBondContact O-CA 3.43Å; T855-T905 PolarHBondContact N-O 3.32Å; T855-T905 PolarHBondContact O-N 2.92Å |
| 856 | S | 90.4 | Very high | 78.2 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.4 | 174.5 | 77.1 | 0 | 0 | 0 | 0 | 113.4 | T874 N875 V903 | S856-T874 WeakPolarHBondContact O-CG2 3.44Å; S856-N875 PolarHBondContact N-O 3.16Å; S856-N875 WeakPolarHBondContact OG-CB 3.39Å; S856-N875 PolarHBondContact OG-N 3.43Å; S856-N875 PolarHBondContact OG-ND2 3.49Å; S856-V903 WeakPolarHBondContact CA-O 3.28Å |
| 857 | V | 88.5 | Confident | 75.8 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 52% | 0.521 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.1 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 111 | H902 V903 | V857-H902 CarbonylContact O-C 3.52Å; V857-H902 VanDerWaalsContact O-CA 3.31Å; V857-H902 WeakPolarHBondContact O-CA 3.39Å; V857-V903 PolarHBondContact N-O 3.34Å; V857-V903 PolarHBondContact O-N 2.86Å |
| 858 | L | 85.7 | Confident | 73.6 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.2 | 173.9 | 178.7 | 71.9 | 0 | 0 | 0 | 110.5 | K861 I898 T901 H902 | L858-K861 HydrophobicContact CD2-CG 4.11Å; L858-I898 HydrophobicContact CD2-CG2 4.05Å; L858-T901 WeakPolarHBondContact CD1-O 3.38Å; L858-H902 VanDerWaalsContact CD1-CE1 3.44Å; L858-H902 WeakPolarHBondContact CD1-CE1 3.38Å |
| 859 | Q | 79.9 | Confident | 71.3 | Confident | 139 Ų | 139 | 76.1 Ų | 76.1 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -36 | -178.7 | -75.6 | -163.9 | -26.5 | 0 | 0 | 114.5 | T901 V903 | Q859-T901 PolarHBondContact N-O 2.84Å; Q859-V903 HydrophobicContact CG-CB 4.32Å; Q859-V903 HydrophobicContact CG-CG2 3.8Å; Q859-V903 VanDerWaalsContact NE2-CG2 3.27Å |
| 860 | S | 68.6 | Low | 69.1 | Low | 54 Ų | 54 | 83.5 Ų | 83.5 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.3 | -178.4 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 861 | K | 60.3 | Low | 66.8 | Low | 132 Ų | 132 | 91 Ų | 91 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | trans | -81.4 | 127.4 | 170.1 | -66.1 | -178.6 | 179.7 | -178.9 | 0 | 110 | L858 | L858-K861 HydrophobicContact CD2-CG 4.11Š| ||
| 862 | T | 49.5 | Very low | 64.6 | Low | 112 Ų | 112 | 93.9 Ų | 93.9 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | trans | -95.3 | 84.3 | 166.8 | 49.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 863 | G | 53.8 | Low | 62.7 | Low | 55 Ų | 55 | 100.1 Ų | 100.1 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 154.2 | 157.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 864 | P | 43.2 | Very low | 61.6 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 79% | 0.792 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -71.8 | 153.5 | -176.4 | 31.5 | -33.6 | 0 | 0 | 0 | 112.2 | Y866 | P864-Y866 PolarHBondContact O-N 3.33Š|
| 865 | D | 41.7 | Very low | 61 | Low | 153 Ų | 153 | 102.2 Ų | 102.2 | 82% | 0.818 | 55% | 0.55 | S | S | * | * | trans | -44 | 98.8 | -168.3 | -70.7 | -51.3 | 0 | 0 | 0 | 116.4 | ||||
| 866 | Y | 41.8 | Very low | 60.8 | Low | 195 Ų | 195 | 107.5 Ų | 107.5 | 77% | 0.765 | 57% | 0.573 | S | S | * | * | trans | -106.1 | 118 | 143.7 | -77.2 | -87.8 | 0 | 0 | 0 | 107.9 | P864 I868 | P864-Y866 PolarHBondContact O-N 3.33Å; Y866-I868 PolarHBondContact O-N 3.24Å | ||
| 867 | K | 41.2 | Very low | 60.9 | Low | 205 Ų | 205 | 110.1 Ų | 110.1 | 89% | 0.891 | 59% | 0.586 | S | S | * | * | trans | -67.7 | 80.2 | 170.8 | -74.5 | -176.4 | 178 | 179.9 | 0 | 109.2 | ||||
| 868 | I | 46.8 | Very low | 61 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 55% | 0.549 | 59% | 0.591 | S | S | . | * | trans | -76.8 | 126.7 | 162.3 | -55.1 | 174.1 | 0 | 0 | 0 | 106.4 | Y866 L870 | Y866-I868 PolarHBondContact O-N 3.24Å; I868-L870 PolarHBondContact O-N 3.1Å | ||
| 869 | P | 44.8 | Very low | 61.4 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | trans | -55 | 133 | 176.4 | -21.6 | 31.4 | 0 | 0 | 0 | 110.8 | D871 S872 | P869-D871 PolarHBondContact O-N 3.4Å; P869-S872 PolarHBondContact O-OG 2.88Å; P869-S872 VanDerWaalsContact O-OG 3.06Å | ||
| 870 | L | 49.6 | Very low | 62.1 | Low | 157 Ų | 157 | 112.7 Ų | 112.7 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -15.4 | -177.5 | -106.9 | 89.2 | 0 | 0 | 0 | 113.9 | I868 S872 | I868-L870 PolarHBondContact O-N 3.1Å; L870-S872 VanDerWaalsContact C-N 3.33Å; L870-S872 PolarHBondContact O-N 3.17Å |
| 871 | D | 47 | Very low | 63.3 | Low | 158 Ų | 158 | 111.3 Ų | 111.3 | 85% | 0.845 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.7 | -172.1 | -69.9 | -21.5 | 0 | 0 | 0 | 115.5 | P869 | P869-D871 PolarHBondContact O-N 3.4Š|
| 872 | S | 49.4 | Very low | 64.8 | Low | 70 Ų | 70 | 111.7 Ų | 111.7 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -97.7 | -17.7 | -155.8 | 50.9 | 0 | 0 | 0 | 0 | 119.1 | P869 L870 | P869-S872 PolarHBondContact O-OG 2.88Å; P869-S872 VanDerWaalsContact O-OG 3.06Å; L870-S872 VanDerWaalsContact C-N 3.33Å; L870-S872 PolarHBondContact O-N 3.17Å |
| 873 | K | 55.3 | Low | 66.7 | Low | 130 Ų | 130 | 107.8 Ų | 107.8 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | trans | -158.4 | 62.3 | 174.6 | -63.9 | -168.8 | -178.2 | 178.3 | 0 | 114.4 | S897 I898 | K873-S897 WeakPolarHBondContact CD-OG 3.49Å; K873-S897 PolarHBondContact NZ-OG 2.95Å; K873-S897 VanDerWaalsContact NZ-OG 3.16Å; K873-I898 HydrophobicContact CB-CD1 4.3Å | ||
| 874 | T | 70.2 | Confident | 68 | Low | 77 Ų | 77 | 110.7 Ų | 110.7 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | trans | -90.3 | 127.5 | 168 | -55.6 | 0 | 0 | 0 | 0 | 107.9 | S856 E876 | S856-T874 WeakPolarHBondContact O-CG2 3.44Å; T874-E876 PolarHBondContact O-N 3.28Å | ||
| 875 | N | 80.6 | Confident | 69.8 | Low | 17 Ų | 17 | 108 Ų | 108 | 9% | 0.091 | 54% | 0.536 | C | S | . | . | trans | -68.8 | 124.1 | 164.9 | -58.3 | -76.3 | 0 | 0 | 0 | 107 | T855 S856 L894 N895 | T855-N875 CarbonylContact C-O 3.48Å; T855-N875 WeakPolarHBondContact CA-O 3.41Å; S856-N875 PolarHBondContact N-O 3.16Å; S856-N875 WeakPolarHBondContact OG-CB 3.39Å; S856-N875 PolarHBondContact OG-N 3.43Å; S856-N875 PolarHBondContact OG-ND2 3.49Å; N875-L894 HydrophobicContact CB-CD2 3.76Å; N875-N895 PolarHBondContact ND2-O 3.47Å; N875-N895 PolarHBondContact OD1-N 3.12Å; N875-N895 PolarHBondContact OD1-O 3.49Å | ||
| 876 | E | 88.3 | Confident | 71.8 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 106.7 | 170.8 | -174.1 | 165.5 | -151.4 | 0 | 0 | 106.2 | V854 T855 T874 | V854-E876 WeakPolarHBondContact O-CA 3.43Å; T855-E876 HydrophobicContact CG2-CG 4.12Å; T874-E876 PolarHBondContact O-N 3.28Å |
| 877 | I | 92.3 | Very high | 73.9 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 29% | 0.292 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.9 | -175.4 | -51 | 175.5 | 0 | 0 | 0 | 107.6 | V854 F892 L893 L894 | V854-I877 PolarHBondContact N-O 2.77Å; V854-I877 PolarHBondContact O-N 3.1Å; I877-F892 HydrophobicContact CB-CD1 3.95Å; I877-F892 HydrophobicContact CB-CE1 4.29Å; I877-F892 HydrophobicContact CG2-CD1 3.69Å; I877-F892 HydrophobicContact CG2-CE1 3.92Å; I877-L893 WeakPolarHBondContact CD1-O 3.39Å; I877-L894 HydrophobicContact CD1-CD2 4.04Å |
| 878 | D | 91.3 | Very high | 76.2 | Confident | 119 Ų | 119 | 86 Ų | 86 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.3 | 171.9 | 67.3 | -45 | 0 | 0 | 0 | 110.6 | L852 | L852-D878 CarbonylContact O-C 3.5Å; L852-D878 WeakPolarHBondContact O-CA 3.41Å |
| 879 | Q | 93.8 | Very high | 78.1 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 131.8 | 173.7 | -163.2 | 175.9 | 10.6 | 0 | 0 | 111.3 | C851 L852 T890 F892 | C851-Q879 WeakPolarHBondContact CA-O 3.42Å; L852-Q879 PolarHBondContact N-O 3.15Å; L852-Q879 PolarHBondContact O-N 3.27Å; Q879-T890 PolarHBondContact NE2-OG1 2.72Å; Q879-T890 PolarHBondContact OE1-OG1 3.49Å; Q879-F892 HydrophobicContact CB-CE1 3.85Å; Q879-F892 HydrophobicContact CB-CZ 3.92Å |
| 880 | R | 94.2 | Very high | 80.4 | Confident | 138 Ų | 138 | 79.8 Ų | 79.8 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.5 | 174 | -172 | 175.3 | -69.4 | -150.1 | -2 | 110.2 | S849 V850 | S849-R880 VanDerWaalsContact OG-CD 3.32Å; S849-R880 WeakPolarHBondContact OG-CD 3.38Å; S849-R880 WeakPolarHBondContact OG-CG 3.16Å; V850-R880 WeakPolarHBondContact O-CA 3.47Å |
| 881 | V | 93.9 | Very high | 82.5 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 16% | 0.158 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.2 | 178.2 | 62 | 0 | 0 | 0 | 0 | 110.3 | S849 V850 L852 P883 F888 | S849-V881 CarbonylContact C-O 3.54Å; S849-V881 WeakPolarHBondContact CA-O 3.49Å; S849-V881 WeakPolarHBondContact CB-O 3.3Å; V850-V881 HydrophobicContact CB-CG1 4.19Å; V850-V881 PolarHBondContact N-O 3.19Å; V850-V881 WeakPolarHBondContact O-CG1 3.48Å; V850-V881 PolarHBondContact O-N 3.35Å; L852-V881 HydrophobicContact CD1-CG1 4.2Å; V881-P883 WeakPolarHBondContact O-CD 3.49Å; V881-F888 HydrophobicContact CB-CB 4.48Å; V881-F888 HydrophobicContact CG1-CB 3.82Å; V881-F888 HydrophobicContact CG1-CD2 3.6Å; V881-F888 HydrophobicContact CG1-CE2 4.36Å; V881-F888 HydrophobicContact CG1-CG 3.84Å; V881-F888 HydrophobicContact CG2-CB 3.8Å |
| 882 | E | 92.7 | Very high | 84.7 | Confident | 140 Ų | 140 | 70.8 Ų | 70.8 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 120.2 | 173.8 | -67.7 | -173.8 | 171.6 | 0 | 0 | 109.3 | H884 | E882-H884 PolarHBondContact O-N 3.31Š|
| 883 | P | 88.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 130.1 | 177.4 | 29.1 | -32.8 | 0 | 0 | 0 | 110.5 | V835 I847 V850 V881 Y887 F888 | V835-P883 HydrophobicContact CG2-CB 4.37Å; I847-P883 HydrophobicContact CG2-CG 4.07Å; V850-P883 HydrophobicContact CG2-CG 4.46Å; V881-P883 WeakPolarHBondContact O-CD 3.49Å; P883-Y887 CarbonylContact C-O 3.56Å; P883-Y887 VanDerWaalsContact CA-O 3.31Å; P883-Y887 WeakPolarHBondContact CA-O 3.36Å; P883-F888 HydrophobicContact CB-CB 4.39Å; P883-F888 HydrophobicContact CB-CD1 4.19Å |
| 884 | H | 82.7 | Confident | 88.6 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 122.7 | 172.4 | -161.4 | -65.7 | 0 | 0 | 0 | 109 | E95 E882 D886 Y887 | E95-H884 IonicContact OE1-CE1 3Å; E95-H884 PolarHBondContact OE1-CE1 3.2Å; E95-H884 IonicContact OE1-ND1 3.77Å; E95-H884 PolarHBondContact OE1-ND1 2.84Å; E95-H884 IonicContact OE2-CE1 2.62Å; E95-H884 PolarHBondContact OE2-CE1 3.18Å; E95-H884 VanDerWaalsContact OE2-CE1 3.25Å; E95-H884 IonicContact OE2-CG 3.87Å; E95-H884 IonicContact OE2-ND1 2.89Å; E95-H884 PolarHBondContact OE2-ND1 3.43Å; E882-H884 PolarHBondContact O-N 3.31Å; H884-D886 VanDerWaalsContact C-N 3.32Å; H884-D886 PolarHBondContact O-N 3.37Å; H884-Y887 PolarHBondContact N-O 3.1Å; H884-Y887 PolarHBondContact O-N 3.38Å; H884-Y887 VanDerWaalsContact O-O 3.13Å |
| 885 | N | 79.1 | Confident | 89.5 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 52.5 | -174 | -74.5 | -41.1 | 0 | 0 | 0 | 113.7 | E95 K96 Y887 | E95-N885 PolarHBondContact OE1-ND2 3.45Å; E95-N885 WeakPolarHBondContact OE2-CB 3.34Å; E95-N885 PolarHBondContact OE2-ND2 3.41Å; K96-N885 PolarHBondContact NZ-O 2.98Å; N885-Y887 PolarHBondContact O-N 2.96Å; N885-Y887 VanDerWaalsContact O-N 3.14Å |
| 886 | D | 84.6 | Confident | 89.8 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 17.4 | -179.6 | -58.5 | -39.2 | 0 | 0 | 0 | 114.4 | V834 V835 H837 H884 | V834-D886 CarbonylContact C-O 3.42Å; V834-D886 VanDerWaalsContact CA-O 3.25Å; V834-D886 WeakPolarHBondContact CA-O 3.18Å; V834-D886 WeakPolarHBondContact CG1-O 3.4Å; V835-D886 HydrophobicContact CB-CB 4.06Å; V835-D886 PolarHBondContact N-O 3.15Å; V835-D886 WeakPolarHBondContact O-CB 3.34Å; H837-D886 IonicContact CD2-OD1 2.8Å; H837-D886 PolarHBondContact CD2-OD1 2.85Å; H837-D886 IonicContact CD2-OD2 3.94Å; H837-D886 IonicContact CE1-OD1 4Å; H837-D886 IonicContact NE2-OD1 2.97Å; H837-D886 PolarHBondContact NE2-OD1 3.38Å; H837-D886 IonicContact NE2-OD2 3.04Å; H884-D886 VanDerWaalsContact C-N 3.32Å; H884-D886 PolarHBondContact O-N 3.37Å |
| 887 | Y | 86.2 | Confident | 89.5 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.6 | 177.1 | 170.1 | -100.7 | 0 | 0 | 0 | 111.9 | P58 K96 E832 G833 V834 P883 H884 N885 S889 | P58-Y887 HydrophobicContact CG-CD2 3.95Å; P58-Y887 HydrophobicContact CG-CE1 4.38Å; P58-Y887 HydrophobicContact CG-CE2 3.18Å; P58-Y887 VanDerWaalsContact CG-CZ 3.43Å; P58-Y887 WeakPolarHBondContact CG-OH 3.45Å; K96-Y887 HydrophobicContact CD-CG 4.4Å; K96-Y887 HydrophobicContact CG-CG 4.34Å; E832-Y887 HydrophobicContact CB-CE2 4.14Å; E832-Y887 PolarHBondContact OE1-OH 2.93Å; G833-Y887 WeakPolarHBondContact O-CA 3.44Å; G833-Y887 VanDerWaalsContact O-CD2 3.27Å; G833-Y887 WeakPolarHBondContact O-CD2 3.43Å; V834-Y887 HydrophobicContact CG2-CD2 4.04Å; P883-Y887 CarbonylContact C-O 3.56Å; P883-Y887 VanDerWaalsContact CA-O 3.31Å; P883-Y887 WeakPolarHBondContact CA-O 3.36Å; H884-Y887 PolarHBondContact N-O 3.1Å; H884-Y887 PolarHBondContact O-N 3.38Å; H884-Y887 VanDerWaalsContact O-O 3.13Å; N885-Y887 PolarHBondContact O-N 2.96Å; N885-Y887 VanDerWaalsContact O-N 3.14Å; Y887-S889 WeakPolarHBondContact OH-CB 3.32Å |
| 888 | F | 89 | Confident | 89.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155 | 172.9 | 60.3 | -90.2 | 0 | 0 | 0 | 110.8 | I804 L806 E832 G833 V835 V850 L852 V881 P883 | I804-F888 HydrophobicContact CG2-CE1 4.15Å; I804-F888 HydrophobicContact CG2-CZ 3.92Å; L806-F888 HydrophobicContact CD2-CE2 3.95Å; L806-F888 HydrophobicContact CD2-CZ 3.71Å; E832-F888 WeakPolarHBondContact CA-O 3.33Å; G833-F888 VanDerWaalsContact CA-CZ 3.46Å; G833-F888 PolarHBondContact N-O 3.07Å; G833-F888 PolarHBondContact O-N 2.95Å; V835-F888 HydrophobicContact CG2-CE1 4.41Å; V850-F888 HydrophobicContact CB-CD1 4.46Å; V850-F888 HydrophobicContact CB-CE1 4.19Å; V850-F888 HydrophobicContact CB-CZ 4.24Å; V850-F888 HydrophobicContact CG1-CE1 4.12Å; V850-F888 HydrophobicContact CG1-CE2 4.22Å; V850-F888 HydrophobicContact CG1-CZ 3.75Å; V850-F888 HydrophobicContact CG2-CD1 4.05Å; V850-F888 HydrophobicContact CG2-CE1 3.77Å; V850-F888 HydrophobicContact CG2-CZ 4.28Å; L852-F888 HydrophobicContact CD1-CD2 4.16Å; L852-F888 HydrophobicContact CD1-CE2 3.83Å; L852-F888 HydrophobicContact CD2-CE2 3.99Å; L852-F888 HydrophobicContact CD2-CZ 4.44Å; L852-F888 HydrophobicContact CG-CE2 4.28Å; V881-F888 HydrophobicContact CB-CB 4.48Å; V881-F888 HydrophobicContact CG1-CB 3.82Å; V881-F888 HydrophobicContact CG1-CD2 3.6Å; V881-F888 HydrophobicContact CG1-CE2 4.36Å; V881-F888 HydrophobicContact CG1-CG 3.84Å; V881-F888 HydrophobicContact CG2-CB 3.8Å; P883-F888 HydrophobicContact CB-CB 4.39Å; P883-F888 HydrophobicContact CB-CD1 4.19Å |
| 889 | S | 87.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 58 Ų | 58 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 139.2 | 172 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | V831 Y887 | V831-S889 CarbonylContact O-C 3.59Å; V831-S889 WeakPolarHBondContact O-CA 3.32Å; Y887-S889 WeakPolarHBondContact OH-CB 3.32Å |
| 890 | T | 92.6 | Very high | 88.3 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 171.2 | 171.3 | -162.3 | 0 | 0 | 0 | 0 | 111.9 | K830 V831 L852 Q879 F892 | K830-T890 CarbonylContact C-O 3.36Å; K830-T890 WeakPolarHBondContact CA-O 3.48Å; V831-T890 HydrophobicContact CB-CG2 4.38Å; V831-T890 PolarHBondContact N-O 2.9Å; V831-T890 PolarHBondContact O-N 2.62Å; L852-T890 HydrophobicContact CD1-CG2 3.48Å; L852-T890 VanDerWaalsContact CD1-CG2 3.48Å; Q879-T890 PolarHBondContact NE2-OG1 2.72Å; Q879-T890 PolarHBondContact OE1-OG1 3.49Å; T890-F892 HydrophobicContact CG2-CD2 4.15Å; T890-F892 HydrophobicContact CG2-CE2 3.37Å; T890-F892 HydrophobicContact CG2-CZ 3.78Å |
| 891 | Q | 93.6 | Very high | 88 | Confident | 122 Ų | 122 | 49.6 Ų | 49.6 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.6 | -179.5 | -62.7 | -177.5 | -4.3 | 0 | 0 | 110.8 | T828 L829 K830 | T828-Q891 HydrophobicContact CG2-CB 4.43Å; L829-Q891 WeakPolarHBondContact O-CA 3.16Å; K830-Q891 HydrophobicContact CB-CG 4.03Å; K830-Q891 HydrophobicContact CG-CG 4.04Å |
| 892 | F | 93.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.9 | 174.2 | -61.7 | -89.3 | 0 | 0 | 0 | 109.8 | T828 L829 V831 L852 V854 I877 Q879 T890 L894 | T828-F892 CarbonylContact C-O 3.58Å; T828-F892 WeakPolarHBondContact CA-O 3.37Å; L829-F892 HydrophobicContact CB-CB 4.44Å; L829-F892 PolarHBondContact N-O 3.04Å; L829-F892 PolarHBondContact O-N 2.97Å; V831-F892 HydrophobicContact CB-CD2 4.47Å; V831-F892 HydrophobicContact CB-CE2 4.14Å; V831-F892 HydrophobicContact CG2-CD2 3.66Å; V831-F892 HydrophobicContact CG2-CE2 3.65Å; L852-F892 HydrophobicContact CB-CE2 4.28Å; L852-F892 HydrophobicContact CB-CZ 3.79Å; L852-F892 HydrophobicContact CD1-CE2 4.34Å; L852-F892 HydrophobicContact CD1-CZ 4.45Å; V854-F892 HydrophobicContact CB-CD1 4.23Å; V854-F892 HydrophobicContact CB-CE1 4.42Å; V854-F892 HydrophobicContact CB-CG 4.38Å; V854-F892 HydrophobicContact CG2-CD1 3.75Å; V854-F892 HydrophobicContact CG2-CD2 3.61Å; V854-F892 HydrophobicContact CG2-CE1 3.71Å; V854-F892 HydrophobicContact CG2-CE2 3.55Å; V854-F892 HydrophobicContact CG2-CG 3.7Å; V854-F892 HydrophobicContact CG2-CZ 3.62Å; I877-F892 HydrophobicContact CB-CD1 3.95Å; I877-F892 HydrophobicContact CB-CE1 4.29Å; I877-F892 HydrophobicContact CG2-CD1 3.69Å; I877-F892 HydrophobicContact CG2-CE1 3.92Å; Q879-F892 HydrophobicContact CB-CE1 3.85Å; Q879-F892 HydrophobicContact CB-CZ 3.92Å; T890-F892 HydrophobicContact CG2-CD2 4.15Å; T890-F892 HydrophobicContact CG2-CE2 3.37Å; T890-F892 HydrophobicContact CG2-CZ 3.78Å; F892-L894 HydrophobicContact CB-CD2 4.4Å |
| 893 | L | 93.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 42.9 Ų | 42.9 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.7 | 172.1 | -73.5 | 169.7 | 0 | 0 | 0 | 108.8 | T828 I877 | T828-L893 HydrophobicContact CG2-CD2 4.25Å; T828-L893 VanDerWaalsContact OG1-CD2 3.25Å; T828-L893 WeakPolarHBondContact OG1-CD2 3.33Å; I877-L893 WeakPolarHBondContact CD1-O 3.39Å |
| 894 | L | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.7 | -174.6 | -54.8 | 176.7 | 0 | 0 | 0 | 110.9 | Q826 L827 L829 V854 N875 I877 F892 F896 V904 | Q826-L894 WeakPolarHBondContact CA-O 2.96Å; L827-L894 HydrophobicContact CB-CB 4.45Å; L827-L894 PolarHBondContact N-O 3Å; L827-L894 PolarHBondContact O-N 3.4Å; L829-L894 HydrophobicContact CB-CD1 4.22Å; L829-L894 HydrophobicContact CD2-CD1 4.09Å; V854-L894 HydrophobicContact CG1-CD1 4.09Å; V854-L894 HydrophobicContact CG1-CD2 3.86Å; N875-L894 HydrophobicContact CB-CD2 3.76Å; I877-L894 HydrophobicContact CD1-CD2 4.04Å; F892-L894 HydrophobicContact CB-CD2 4.4Å; L894-F896 HydrophobicContact CB-CE2 3.65Å; L894-F896 HydrophobicContact CB-CZ 3.84Å; L894-F896 HydrophobicContact CD1-CE2 4.45Å; L894-F896 HydrophobicContact CD1-CZ 4.1Å; L894-V904 HydrophobicContact CD1-CG1 3.7Å; L894-V904 HydrophobicContact CD1-CG2 3.97Å |
| 895 | N | 89.2 | Confident | 88.2 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.8 | 180 | -68.1 | -33.5 | 0 | 0 | 0 | 110.7 | Q826 N875 | Q826-N895 WeakPolarHBondContact CG-OD1 3.06Å; Q826-N895 PolarHBondContact NE2-OD1 3.42Å; N875-N895 PolarHBondContact ND2-O 3.47Å; N875-N895 PolarHBondContact OD1-N 3.12Å; N875-N895 PolarHBondContact OD1-O 3.49Å |
| 896 | F | 88.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | trans | -121.5 | 58.2 | 179.6 | -61.7 | -76.1 | 0 | 0 | 0 | 112.3 | V821 N823 L827 L894 I898 H902 V904 V928 S930 | V821-F896 HydrophobicContact CG1-CD2 4.33Å; N823-F896 WeakPolarHBondContact CA-O 3.37Å; L827-F896 HydrophobicContact CB-CD2 4.21Å; L827-F896 HydrophobicContact CB-CE2 3.74Å; L827-F896 HydrophobicContact CD2-CE2 3.78Å; L827-F896 HydrophobicContact CD2-CZ 4.38Å; L827-F896 HydrophobicContact CG-CE2 4.41Å; L894-F896 HydrophobicContact CB-CE2 3.65Å; L894-F896 HydrophobicContact CB-CZ 3.84Å; L894-F896 HydrophobicContact CD1-CE2 4.45Å; L894-F896 HydrophobicContact CD1-CZ 4.1Å; F896-I898 PolarHBondContact O-N 2.92Å; F896-H902 HydrophobicContact CD1-CB 3.92Å; F896-H902 AromaticContact CD1-CD2 3.94Å; F896-H902 AromaticContact CD1-CG 3.65Å; F896-H902 AromaticContact CD1-ND1 3.96Å; F896-H902 HydrophobicContact CE1-CB 3.77Å; F896-V904 HydrophobicContact CE1-CG2 3.98Å; F896-V904 HydrophobicContact CZ-CG2 3.56Å; F896-V928 HydrophobicContact CD1-CG1 4.4Å; F896-V928 HydrophobicContact CD2-CG1 3.95Å; F896-V928 HydrophobicContact CE1-CB 4.3Å; F896-V928 HydrophobicContact CE1-CG1 4.24Å; F896-V928 HydrophobicContact CE2-CB 4.43Å; F896-V928 HydrophobicContact CE2-CG1 3.77Å; F896-V928 HydrophobicContact CE2-CG2 4.47Å; F896-V928 HydrophobicContact CG-CG1 4.26Å; F896-V928 HydrophobicContact CZ-CB 4.11Å; F896-V928 HydrophobicContact CZ-CG1 3.93Å; F896-V928 HydrophobicContact CZ-CG2 4.11Å; F896-S930 PolarHBondContact O-OG 2.95Å | ||
| 897 | S | 81.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 34.2 Ų | 34.2 | 34% | 0.343 | 19% | 0.185 | S | C | . | . | trans | -70.3 | -14.3 | -176.1 | 64.6 | 0 | 0 | 0 | 0 | 115.2 | K873 | K873-S897 WeakPolarHBondContact CD-OG 3.49Å; K873-S897 PolarHBondContact NZ-OG 2.95Å; K873-S897 VanDerWaalsContact NZ-OG 3.16Å | ||
| 898 | I | 82.6 | Confident | 89.7 | Confident | 65 Ų | 65 | 33.1 Ų | 33.1 | 33% | 0.333 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -93.4 | 134.9 | 175.6 | -58.3 | 174.9 | 0 | 0 | 0 | 108.3 | L858 K873 F896 H902 S930 | L858-I898 HydrophobicContact CD2-CG2 4.05Å; K873-I898 HydrophobicContact CB-CD1 4.3Å; F896-I898 PolarHBondContact O-N 2.92Å; I898-H902 PolarHBondContact O-CE1 3.46Å; I898-S930 WeakPolarHBondContact O-CB 3.24Å; I898-S930 PolarHBondContact O-OG 3.06Å; I898-S930 VanDerWaalsContact O-OG 3.11Å |
| 899 | L | 83.2 | Confident | 89.9 | Confident | 56 Ų | 56 | 33.2 Ų | 33.2 | 29% | 0.293 | 18% | 0.183 | S | C | . | . | trans | -73.7 | 140.8 | 176.6 | -61.1 | 179.2 | 0 | 0 | 0 | 111.2 | N823 L931 E932 | N823-L899 HydrophobicContact CB-CD2 3.86Å; L899-L931 VanDerWaalsContact CD2-C 3.45Å; L899-E932 HydrophobicContact CD1-CB 3.96Å; L899-E932 HydrophobicContact CD1-CG 4.31Å; L899-E932 HydrophobicContact CD2-CB 3.91Å; L899-E932 VanDerWaalsContact CD2-N 3.31Å | ||
| 900 | G | 85.6 | Confident | 90.3 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.9 | -177.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H902 S930 | G900-H902 PolarHBondContact O-ND1 2.93Å; G900-S930 PolarHBondContact N-O 2.97Å; G900-S930 PolarHBondContact O-N 3.39Å |
| 901 | T | 87.3 | Confident | 90.4 | Very high | 30 Ų | 30 | 30 Ų | 30 | 18% | 0.184 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.6 | -179.1 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | L858 Q859 S927 V928 | L858-T901 WeakPolarHBondContact CD1-O 3.38Å; Q859-T901 PolarHBondContact N-O 2.84Å; T901-S927 WeakPolarHBondContact CG2-OG 3.4Å; T901-V928 CarbonylContact C-O 3.51Å; T901-V928 WeakPolarHBondContact CA-O 3.22Å |
| 902 | H | 89.1 | Confident | 90.4 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 148 | 173.8 | -61.7 | 71 | 0 | 0 | 0 | 109.4 | V857 L858 F896 I898 G900 V928 | V857-H902 CarbonylContact O-C 3.52Å; V857-H902 VanDerWaalsContact O-CA 3.31Å; V857-H902 WeakPolarHBondContact O-CA 3.39Å; L858-H902 VanDerWaalsContact CD1-CE1 3.44Å; L858-H902 WeakPolarHBondContact CD1-CE1 3.38Å; F896-H902 HydrophobicContact CD1-CB 3.92Å; F896-H902 AromaticContact CD1-CD2 3.94Å; F896-H902 AromaticContact CD1-CG 3.65Å; F896-H902 AromaticContact CD1-ND1 3.96Å; F896-H902 HydrophobicContact CE1-CB 3.77Å; I898-H902 PolarHBondContact O-CE1 3.46Å; G900-H902 PolarHBondContact O-ND1 2.93Å; H902-V928 PolarHBondContact N-O 3.5Å; H902-V928 PolarHBondContact O-N 3.1Å |
| 903 | V | 89.9 | Confident | 90.3 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.7 | 166.8 | 169.6 | 0 | 0 | 0 | 0 | 108.6 | S856 V857 Q859 M925 | S856-V903 WeakPolarHBondContact CA-O 3.28Å; V857-V903 PolarHBondContact N-O 3.34Å; V857-V903 PolarHBondContact O-N 2.86Å; Q859-V903 HydrophobicContact CG-CB 4.32Å; Q859-V903 HydrophobicContact CG-CG2 3.8Å; Q859-V903 VanDerWaalsContact NE2-CG2 3.27Å; V903-M925 HydrophobicContact CG1-CB 4.14Å; V903-M925 HydrophobicContact CG1-CG 4.27Å; V903-M925 HydrophobicContact CG1-SD 4.26Å |
| 904 | V | 91.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.2 | 171.7 | -177 | 0 | 0 | 0 | 0 | 107.9 | L829 V854 T855 L894 F896 M925 V926 V928 | L829-V904 HydrophobicContact CD2-CG1 4.05Å; V854-V904 HydrophobicContact CG1-CG1 3.63Å; T855-V904 CarbonylContact O-C 3.58Å; T855-V904 VanDerWaalsContact O-CA 3.3Å; T855-V904 WeakPolarHBondContact O-CA 3.43Å; L894-V904 HydrophobicContact CD1-CG1 3.7Å; L894-V904 HydrophobicContact CD1-CG2 3.97Å; F896-V904 HydrophobicContact CE1-CG2 3.98Å; F896-V904 HydrophobicContact CZ-CG2 3.56Å; V904-M925 CarbonylContact O-C 3.59Å; V904-M925 VanDerWaalsContact O-CA 3.31Å; V904-M925 WeakPolarHBondContact O-CA 3.39Å; V904-V926 PolarHBondContact N-O 3.07Å; V904-V926 PolarHBondContact O-N 3.22Å; V904-V928 HydrophobicContact CG2-CG2 3.75Å |
| 905 | T | 92.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.2 | 175.8 | -60.7 | 0 | 0 | 0 | 0 | 108.3 | V854 T855 E907 K923 M925 | V854-T905 CarbonylContact C-O 3.6Å; V854-T905 VanDerWaalsContact CA-O 3.31Å; V854-T905 WeakPolarHBondContact CA-O 3.4Å; T855-T905 PolarHBondContact N-O 3.32Å; T855-T905 PolarHBondContact O-N 2.92Å; T905-E907 HydrophobicContact CG2-CG 3.96Å; T905-K923 HydrophobicContact CG2-CD 4.06Å; T905-K923 VanDerWaalsContact CG2-CE 3.42Å; T905-K923 HydrophobicContact CG2-CG 3.66Å; T905-M925 HydrophobicContact CG2-CG 4.41Å |
| 906 | V | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.5 | 170.8 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | L806 L808 L829 V831 N853 V854 K923 T924 | L806-V906 HydrophobicContact CD1-CG1 4.13Å; L808-V906 HydrophobicContact CD1-CG2 4.08Å; L808-V906 HydrophobicContact CD2-CB 4.23Å; L808-V906 HydrophobicContact CD2-CG1 4.31Å; L808-V906 HydrophobicContact CD2-CG2 3.86Å; L829-V906 HydrophobicContact CD2-CG2 3.8Å; V831-V906 HydrophobicContact CG1-CG1 4.07Å; V831-V906 HydrophobicContact CG2-CG1 4.19Å; V831-V906 HydrophobicContact CG2-CG2 4.43Å; N853-V906 CarbonylContact O-C 3.6Å; N853-V906 WeakPolarHBondContact O-CA 3.47Å; V854-V906 HydrophobicContact CG1-CG2 4.33Å; V854-V906 HydrophobicContact CG2-CG1 4.21Å; V854-V906 HydrophobicContact CG2-CG2 4.04Å; V906-K923 WeakPolarHBondContact O-CA 3.48Å; V906-T924 PolarHBondContact N-O 3.38Å; V906-T924 PolarHBondContact O-N 2.84Å |
| 907 | E | 93.7 | Very high | 90.6 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 34% | 0.341 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.6 | 174.7 | -69.9 | 178.6 | -168.6 | 0 | 0 | 109.3 | L852 N853 T905 K923 | L852-E907 CarbonylContact C-O 3.6Å; L852-E907 WeakPolarHBondContact CA-O 3.38Å; N853-E907 PolarHBondContact N-O 2.93Å; N853-E907 PolarHBondContact O-N 3.34Å; T905-E907 HydrophobicContact CG2-CG 3.96Å; E907-K923 HydrophobicContact CG-CB 4.01Å; E907-K923 HydrophobicContact CG-CD 4.03Å; E907-K923 HydrophobicContact CG-CG 3.72Å; E907-K923 VanDerWaalsContact OE1-CD 3.23Å; E907-K923 WeakPolarHBondContact OE1-CD 3.49Å; E907-K923 WeakPolarHBondContact OE1-CE 3.07Å; E907-K923 IonicContact OE1-NZ 3.95Å; E907-K923 PolarHBondContact OE1-NZ 3.48Å |
| 908 | A | 93.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | I804 L806 V850 C851 L852 G921 P922 | I804-A908 HydrophobicContact CD1-CB 4.33Å; I804-A908 HydrophobicContact CG2-CB 4.4Å; L806-A908 HydrophobicContact CD1-CB 4.06Å; L806-A908 HydrophobicContact CD2-CB 4.41Å; V850-A908 HydrophobicContact CG1-CB 4.16Å; C851-A908 CarbonylContact O-C 3.54Å; C851-A908 WeakPolarHBondContact O-CA 3.08Å; L852-A908 HydrophobicContact CD2-CB 3.79Å; A908-G921 CarbonylContact O-C 3.6Å; A908-G921 WeakPolarHBondContact O-CA 3.32Å; A908-G921 PolarHBondContact O-N 2.88Å; A908-P922 PolarHBondContact N-O 3.12Å; A908-P922 VanDerWaalsContact N-O 3.14Å |
| 909 | S | 94.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.7 | 167 | 50.7 | 0 | 0 | 0 | 0 | 109.4 | V850 C851 E917 W918 | V850-S909 CarbonylContact C-O 3.49Å; V850-S909 WeakPolarHBondContact CA-O 3.28Å; V850-S909 WeakPolarHBondContact CG1-O 3.15Å; C851-S909 WeakPolarHBondContact CB-OG 3.32Å; C851-S909 PolarHBondContact N-O 2.92Å; C851-S909 PolarHBondContact O-N 3.47Å; C851-S909 PolarHBondContact O-OG 2.94Å; S909-E917 WeakPolarHBondContact CB-OE1 3.49Å; S909-E917 PolarHBondContact OG-OE1 2.95Å; S909-W918 CarbonylContact C-O 3.25Å; S909-W918 VanDerWaalsContact CA-O 3.24Å; S909-W918 WeakPolarHBondContact CA-O 3.44Å; S909-W918 VanDerWaalsContact CB-O 3.24Å; S909-W918 WeakPolarHBondContact CB-O 3.37Å |
| 910 | V | 94.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.2 | -179 | 171 | 0 | 0 | 0 | 0 | 108.3 | F693 I804 I847 E917 W918 | F693-V910 HydrophobicContact CD2-CG1 3.96Å; F693-V910 HydrophobicContact CE2-CG1 3.6Å; F693-V910 HydrophobicContact CZ-CG1 3.94Å; I804-V910 HydrophobicContact CD1-CG2 3.48Å; I804-V910 VanDerWaalsContact CD1-CG2 3.48Å; I804-V910 HydrophobicContact CG1-CG2 4.45Å; I847-V910 HydrophobicContact CB-CG1 4.1Å; I847-V910 HydrophobicContact CD1-CG1 3.88Å; I847-V910 HydrophobicContact CD1-CG2 4.06Å; I847-V910 HydrophobicContact CG1-CG1 3.6Å; I847-V910 HydrophobicContact CG2-CG1 3.89Å; V910-E917 CarbonylContact O-C 3.58Å; V910-W918 HydrophobicContact CB-CB 4.45Å; V910-W918 PolarHBondContact N-O 3.31Å; V910-W918 WeakPolarHBondContact O-CB 3.41Å; V910-W918 PolarHBondContact O-N 2.93Å |
| 911 | V | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.3 | 170.6 | -174 | 0 | 0 | 0 | 0 | 108.6 | Q848 S849 C851 I916 E917 | Q848-V911 PolarHBondContact N-O 3.27Å; S849-V911 PolarHBondContact N-O 3.47Å; S849-V911 PolarHBondContact O-N 3.34Å; S849-V911 WeakPolarHBondContact OG-CB 3.47Å; C851-V911 HydrophobicContact CB-CG2 4.42Å; V911-I916 WeakPolarHBondContact CA-O 3.34Å; V911-E917 HydrophobicContact CG2-CB 4.42Å; V911-E917 HydrophobicContact CG2-CG 4.41Å |
| 912 | D | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 176.4 | 179.1 | 70.4 | 20.7 | 0 | 0 | 0 | 113.4 | F693 K846 Q848 S914 G915 I916 W918 | F693-D912 HydrophobicContact CE2-CB 4.15Å; K846-D912 VanDerWaalsContact O-CA 3.3Å; K846-D912 WeakPolarHBondContact O-CA 3.46Å; K846-D912 WeakPolarHBondContact O-CB 3.37Å; Q848-D912 PolarHBondContact OE1-O 3.35Å; D912-S914 VanDerWaalsContact CG-OG 3.28Å; D912-S914 PolarHBondContact O-N 2.98Å; D912-S914 VanDerWaalsContact O-N 3.17Å; D912-S914 WeakPolarHBondContact OD1-CA 3.36Å; D912-S914 WeakPolarHBondContact OD1-CB 3.24Å; D912-S914 PolarHBondContact OD1-N 3.1Å; D912-S914 PolarHBondContact OD1-OG 3.18Å; D912-S914 PolarHBondContact OD2-OG 3.43Å; D912-G915 PolarHBondContact O-N 3.17Å; D912-G915 PolarHBondContact OD1-N 3.44Å; D912-G915 VanDerWaalsContact OD1-N 3.1Å; D912-I916 PolarHBondContact N-O 3.15Å; D912-I916 VanDerWaalsContact N-O 3.1Å; D912-I916 PolarHBondContact OD1-N 3.16Å; D912-W918 PolarHBondContact OD2-NE1 2.81Å |
| 913 | E | 92 | Very high | 91.7 | Very high | 132 Ų | 132 | 42.9 Ų | 42.9 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17 | 178.5 | -65.6 | 179.4 | 162.4 | 0 | 0 | 114 | K846 G915 | K846-E913 HydrophobicContact CB-CG 4.14Å; K846-E913 VanDerWaalsContact CD-OE1 3.24Å; K846-E913 WeakPolarHBondContact CD-OE1 3.44Å; E913-G915 VanDerWaalsContact C-N 3.34Å |
| 914 | S | 91.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 44.1 Ų | 44.1 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.4 | 174.5 | 73.1 | 0 | 0 | 0 | 0 | 113 | D912 I916 | D912-S914 VanDerWaalsContact CG-OG 3.28Å; D912-S914 PolarHBondContact O-N 2.98Å; D912-S914 VanDerWaalsContact O-N 3.17Å; D912-S914 WeakPolarHBondContact OD1-CA 3.36Å; D912-S914 WeakPolarHBondContact OD1-CB 3.24Å; D912-S914 PolarHBondContact OD1-N 3.1Å; D912-S914 PolarHBondContact OD1-OG 3.18Å; D912-S914 PolarHBondContact OD2-OG 3.43Å; S914-I916 WeakPolarHBondContact OG-CD1 3.22Å; S914-I916 WeakPolarHBondContact OG-CG1 3.49Å |
| 915 | G | 91 | Very high | 91.6 | Very high | 41 Ų | 41 | 50 Ų | 50 | 42% | 0.423 | 27% | 0.271 | S | S | . | . | trans | 85.2 | 7.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | D912 E913 | D912-G915 PolarHBondContact O-N 3.17Å; D912-G915 PolarHBondContact OD1-N 3.44Å; D912-G915 VanDerWaalsContact OD1-N 3.1Å; E913-G915 VanDerWaalsContact C-N 3.34Å | ||
| 916 | I | 93.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 43% | 0.431 | 27% | 0.271 | S | S | . | . | trans | -78.9 | 133.4 | 177.8 | -62.2 | 172.7 | 0 | 0 | 0 | 109.3 | V911 D912 S914 W918 | V911-I916 WeakPolarHBondContact CA-O 3.34Å; D912-I916 PolarHBondContact N-O 3.15Å; D912-I916 VanDerWaalsContact N-O 3.1Å; D912-I916 PolarHBondContact OD1-N 3.16Å; S914-I916 WeakPolarHBondContact OG-CD1 3.22Å; S914-I916 WeakPolarHBondContact OG-CG1 3.49Å; I916-W918 HydrophobicContact CB-CZ2 4.49Å; I916-W918 HydrophobicContact CG2-CD2 4.38Å; I916-W918 HydrophobicContact CG2-CZ2 3.91Å; I916-W918 PolarHBondContact O-NE1 3.48Å | ||
| 917 | E | 94.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131.7 | 174.7 | -173.9 | 176.1 | 173.7 | 0 | 0 | 111.7 | S909 V910 V911 | S909-E917 WeakPolarHBondContact CB-OE1 3.49Å; S909-E917 PolarHBondContact OG-OE1 2.95Å; V910-E917 CarbonylContact O-C 3.58Å; V911-E917 HydrophobicContact CG2-CB 4.42Å; V911-E917 HydrophobicContact CG2-CG 4.41Å |
| 918 | W | 95.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.8 | -175.9 | -59.6 | 89 | 0 | 0 | 0 | 110.3 | H689 Q690 F693 L700 S909 V910 D912 I916 T920 | H689-W918 AromaticContact CE1-CH2 3.84Å; H689-W918 VanDerWaalsContact O-CZ3 3.22Å; H689-W918 WeakPolarHBondContact O-CZ3 3.44Å; Q690-W918 CarbonylContact O-C 3.57Å; Q690-W918 VanDerWaalsContact O-CA 3.24Å; Q690-W918 WeakPolarHBondContact O-CA 3.45Å; Q690-W918 WeakPolarHBondContact O-CB 3.39Å; F693-W918 HydrophobicContact CB-CB 4.13Å; F693-W918 HydrophobicContact CB-CD2 4.32Å; F693-W918 HydrophobicContact CB-CE3 4.41Å; F693-W918 HydrophobicContact CB-CG 4.21Å; F693-W918 HydrophobicContact CD2-CB 4.1Å; F693-W918 AromaticContact CD2-CD1 3.63Å; F693-W918 HydrophobicContact CD2-CD2 4.11Å; F693-W918 AromaticContact CD2-CG 3.67Å; F693-W918 HydrophobicContact CD2-CG 3.67Å; F693-W918 AromaticContact CD2-NE1 4Å; F693-W918 HydrophobicContact CG-CG 4.44Å; L700-W918 HydrophobicContact CD1-CH2 3.81Å; L700-W918 HydrophobicContact CD1-CZ3 4.44Å; L700-W918 HydrophobicContact CD2-CH2 4.12Å; L700-W918 HydrophobicContact CD2-CZ3 3.97Å; S909-W918 CarbonylContact C-O 3.25Å; S909-W918 VanDerWaalsContact CA-O 3.24Å; S909-W918 WeakPolarHBondContact CA-O 3.44Å; S909-W918 VanDerWaalsContact CB-O 3.24Å; S909-W918 WeakPolarHBondContact CB-O 3.37Å; V910-W918 HydrophobicContact CB-CB 4.45Å; V910-W918 PolarHBondContact N-O 3.31Å; V910-W918 WeakPolarHBondContact O-CB 3.41Å; V910-W918 PolarHBondContact O-N 2.93Å; D912-W918 PolarHBondContact OD2-NE1 2.81Å; I916-W918 HydrophobicContact CB-CZ2 4.49Å; I916-W918 HydrophobicContact CG2-CD2 4.38Å; I916-W918 HydrophobicContact CG2-CZ2 3.91Å; I916-W918 PolarHBondContact O-NE1 3.48Å; W918-T920 PolarHBondContact O-N 3.38Å |
| 919 | K | 91.6 | Very high | 90.9 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | trans | -77.6 | 55.5 | 177.9 | -61.4 | 177.8 | -177.3 | 168 | 0 | 111.6 | D687 Q690 | D687-K919 IonicContact OD1-NZ 2.64Å; D687-K919 PolarHBondContact OD1-NZ 2.83Å; Q690-K919 HydrophobicContact CB-CB 4.47Å; Q690-K919 HydrophobicContact CB-CD 4.46Å; Q690-K919 HydrophobicContact CB-CG 4.34Å; Q690-K919 PolarHBondContact O-N 3.01Å | ||
| 920 | T | 83.5 | Confident | 90.6 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | trans | -105.3 | -12.6 | -174.5 | -51.5 | 0 | 0 | 0 | 0 | 113.3 | S691 F693 W918 | S691-T920 PolarHBondContact O-OG1 3.33Å; F693-T920 HydrophobicContact CB-CG2 4.02Å; F693-T920 VanDerWaalsContact CB-OG1 3.29Å; F693-T920 WeakPolarHBondContact CB-OG1 3.3Å; W918-T920 PolarHBondContact O-N 3.38Å | ||
| 921 | G | 81.8 | Confident | 90.2 | Very high | 19 Ų | 19 | 56 Ų | 56 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -80 | 167.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A908 | A908-G921 CarbonylContact O-C 3.6Å; A908-G921 WeakPolarHBondContact O-CA 3.32Å; A908-G921 PolarHBondContact O-N 2.88Å |
| 922 | P | 88.9 | Confident | 89.6 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | trans | -71.1 | 153.9 | -178.1 | 32.4 | -39.5 | 0 | 0 | 0 | 111.7 | I804 L806 A908 | I804-P922 HydrophobicContact CB-CG 4.43Å; I804-P922 HydrophobicContact CG2-CG 4.34Å; I804-P922 VanDerWaalsContact O-CD 3.31Å; I804-P922 WeakPolarHBondContact O-CD 3.43Å; I804-P922 VanDerWaalsContact O-CG 3.27Å; I804-P922 WeakPolarHBondContact O-CG 3.44Å; L806-P922 HydrophobicContact CB-CG 4.47Å; L806-P922 HydrophobicContact CD1-CG 3.86Å; L806-P922 HydrophobicContact CG-CG 3.74Å; A908-P922 PolarHBondContact N-O 3.12Å; A908-P922 VanDerWaalsContact N-O 3.14Å | ||
| 923 | K | 90.5 | Very high | 88.8 | Confident | 130 Ų | 130 | 59 Ų | 59 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.6 | 167.3 | 179.5 | 171.2 | 177.6 | 140 | 0 | 108.8 | T905 V906 E907 | T905-K923 HydrophobicContact CG2-CD 4.06Å; T905-K923 VanDerWaalsContact CG2-CE 3.42Å; T905-K923 HydrophobicContact CG2-CG 3.66Å; V906-K923 WeakPolarHBondContact O-CA 3.48Å; E907-K923 HydrophobicContact CG-CB 4.01Å; E907-K923 HydrophobicContact CG-CD 4.03Å; E907-K923 HydrophobicContact CG-CG 3.72Å; E907-K923 VanDerWaalsContact OE1-CD 3.23Å; E907-K923 WeakPolarHBondContact OE1-CD 3.49Å; E907-K923 WeakPolarHBondContact OE1-CE 3.07Å; E907-K923 IonicContact OE1-NZ 3.95Å; E907-K923 PolarHBondContact OE1-NZ 3.48Å |
| 924 | T | 89.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.4 | -179.1 | -49.8 | 0 | 0 | 0 | 0 | 109.9 | L808 V906 | L808-T924 HydrophobicContact CD1-CG2 3.51Å; L808-T924 HydrophobicContact CG-CG2 4.23Å; V906-T924 PolarHBondContact N-O 3.38Å; V906-T924 PolarHBondContact O-N 2.84Å |
| 925 | M | 89.4 | Confident | 86.8 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.7 | -177.9 | -65.9 | -179.3 | -71.9 | 0 | 0 | 111.4 | V903 V904 T905 | V903-M925 HydrophobicContact CG1-CB 4.14Å; V903-M925 HydrophobicContact CG1-CG 4.27Å; V903-M925 HydrophobicContact CG1-SD 4.26Å; V904-M925 CarbonylContact O-C 3.59Å; V904-M925 VanDerWaalsContact O-CA 3.31Å; V904-M925 WeakPolarHBondContact O-CA 3.39Å; T905-M925 HydrophobicContact CG2-CG 4.41Å |
| 926 | V | 89.5 | Confident | 85.6 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.5 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | L808 I819 V904 V928 | L808-V926 HydrophobicContact CB-CG2 4.37Å; L808-V926 HydrophobicContact CD1-CG2 3.4Å; I819-V926 HydrophobicContact CD1-CG1 3.55Å; I819-V926 HydrophobicContact CG1-CG1 4.2Å; V904-V926 PolarHBondContact N-O 3.07Å; V904-V926 PolarHBondContact O-N 3.22Å; V926-V928 HydrophobicContact CG1-CG2 4.44Å |
| 927 | S | 90.1 | Very high | 84.4 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.4 | 176 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | P818 I819 T901 | P818-S927 CarbonylContact C-O 3.56Å; P818-S927 WeakPolarHBondContact CA-O 3.45Å; I819-S927 PolarHBondContact N-O 3.07Å; T901-S927 WeakPolarHBondContact CG2-OG 3.4Å |
| 928 | V | 89.7 | Confident | 83 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.3 | -179.2 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I819 V821 L827 F896 T901 H902 V904 V926 | I819-V928 CarbonylContact O-C 3.58Å; I819-V928 WeakPolarHBondContact O-CA 3.41Å; V821-V928 HydrophobicContact CB-CG1 4.23Å; V821-V928 HydrophobicContact CG2-CG1 3.69Å; L827-V928 HydrophobicContact CD2-CG1 4.29Å; L827-V928 HydrophobicContact CD2-CG2 3.86Å; F896-V928 HydrophobicContact CD1-CG1 4.4Å; F896-V928 HydrophobicContact CD2-CG1 3.95Å; F896-V928 HydrophobicContact CE1-CB 4.3Å; F896-V928 HydrophobicContact CE1-CG1 4.24Å; F896-V928 HydrophobicContact CE2-CB 4.43Å; F896-V928 HydrophobicContact CE2-CG1 3.77Å; F896-V928 HydrophobicContact CE2-CG2 4.47Å; F896-V928 HydrophobicContact CG-CG1 4.26Å; F896-V928 HydrophobicContact CZ-CB 4.11Å; F896-V928 HydrophobicContact CZ-CG1 3.93Å; F896-V928 HydrophobicContact CZ-CG2 4.11Å; T901-V928 CarbonylContact C-O 3.51Å; T901-V928 WeakPolarHBondContact CA-O 3.22Å; H902-V928 PolarHBondContact N-O 3.5Å; H902-V928 PolarHBondContact O-N 3.1Å; V904-V928 HydrophobicContact CG2-CG2 3.75Å; V926-V928 HydrophobicContact CG1-CG2 4.44Å |
| 929 | K | 89.9 | Confident | 81.5 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.6 | 177.5 | -172.3 | 173.9 | -177.1 | 178.7 | 0 | 109.7 | P818 I819 V821 L931 | P818-K929 HydrophobicContact CB-CB 3.81Å; P818-K929 HydrophobicContact CG-CB 3.85Å; P818-K929 HydrophobicContact CG-CD 4.23Å; I819-K929 PolarHBondContact O-N 3.26Å; V821-K929 PolarHBondContact N-O 3.38Å; K929-L931 HydrophobicContact CD-CD2 4.01Å; K929-L931 HydrophobicContact CG-CD2 3.91Å; K929-L931 HydrophobicContact CG-CG 4.5Å |
| 930 | S | 88.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.1 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | V821 N823 F896 I898 G900 | V821-S930 WeakPolarHBondContact O-CA 3.42Å; N823-S930 WeakPolarHBondContact CB-OG 3.39Å; F896-S930 PolarHBondContact O-OG 2.95Å; I898-S930 WeakPolarHBondContact O-CB 3.24Å; I898-S930 PolarHBondContact O-OG 3.06Å; I898-S930 VanDerWaalsContact O-OG 3.11Å; G900-S930 PolarHBondContact N-O 2.97Å; G900-S930 PolarHBondContact O-N 3.39Å |
| 931 | L | 86.2 | Confident | 79.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 149.3 | -179.5 | -59.5 | 176.6 | 0 | 0 | 0 | 109.9 | P820 V821 Q822 N823 L899 K929 | P820-L931 HydrophobicContact CB-CD1 3.94Å; V821-L931 PolarHBondContact O-N 3.5Å; Q822-L931 CarbonylContact C-O 3.52Å; N823-L931 WeakPolarHBondContact CB-O 3.47Å; N823-L931 PolarHBondContact N-O 3.37Å; N823-L931 PolarHBondContact OD1-O 3.21Å; L899-L931 VanDerWaalsContact CD2-C 3.45Å; K929-L931 HydrophobicContact CD-CD2 4.01Å; K929-L931 HydrophobicContact CG-CD2 3.91Å; K929-L931 HydrophobicContact CG-CG 4.5Å |
| 932 | E | 81.3 | Confident | 78.4 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | trans | -69.6 | 137 | 176.5 | -168.8 | 167 | -141.3 | 0 | 0 | 110.2 | L899 Q937 R940 | L899-E932 HydrophobicContact CD1-CB 3.96Å; L899-E932 HydrophobicContact CD1-CG 4.31Å; L899-E932 HydrophobicContact CD2-CB 3.91Å; L899-E932 VanDerWaalsContact CD2-N 3.31Å; E932-Q937 HydrophobicContact CB-CG 3.98Å; E932-Q937 HydrophobicContact CG-CG 3.82Å; E932-R940 VanDerWaalsContact CD-NH1 3.27Å; E932-R940 IonicContact OE1-CZ 3.48Å; E932-R940 IonicContact OE1-NH1 3.23Å; E932-R940 PolarHBondContact OE1-NH1 3Å; E932-R940 IonicContact OE1-NH2 3.63Å; E932-R940 PolarHBondContact OE1-NH2 3.48Å; E932-R940 IonicContact OE2-CZ 3.76Å; E932-R940 IonicContact OE2-NH1 2.91Å; E932-R940 PolarHBondContact OE2-NH1 3.39Å | ||
| 933 | D | 77.2 | Confident | 76.9 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | trans | -54.3 | 126.9 | 175.7 | -170.2 | -29.6 | 0 | 0 | 0 | 110.6 | N823 S824 Y935 S936 Q937 | N823-D933 PolarHBondContact OD1-N 3.04Å; S824-D933 WeakPolarHBondContact CB-OD2 3.44Å; S824-D933 PolarHBondContact OG-OD2 3.23Å; D933-Y935 PolarHBondContact O-N 3.44Å; D933-Y935 VanDerWaalsContact O-N 3.12Å; D933-Y935 PolarHBondContact OD1-N 3Å; D933-S936 WeakPolarHBondContact O-CA 3.5Å; D933-S936 WeakPolarHBondContact O-CB 3.5Å; D933-S936 PolarHBondContact O-N 3.41Å; D933-Q937 PolarHBondContact O-N 3.15Å | ||
| 934 | P | 72.3 | Confident | 75.3 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -51.7 | -33.8 | 177.3 | -26.6 | 33.3 | 0 | 0 | 0 | 113.7 | Q937 Q938 | P934-Q937 PolarHBondContact O-N 2.91Å; P934-Q938 WeakPolarHBondContact O-CB 3.19Å; P934-Q938 WeakPolarHBondContact O-CG 3.46Å; P934-Q938 PolarHBondContact O-N 2.91Å |
| 935 | Y | 69.1 | Low | 73.6 | Confident | 155 Ų | 155 | 83.4 Ų | 83.4 | 61% | 0.608 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | 176.7 | -171.7 | -99.8 | 0 | 0 | 0 | 111.6 | D933 Q938 L939 | D933-Y935 PolarHBondContact O-N 3.44Å; D933-Y935 VanDerWaalsContact O-N 3.12Å; D933-Y935 PolarHBondContact OD1-N 3Å; Y935-Q938 PolarHBondContact O-N 2.91Å; Y935-L939 HydrophobicContact CE1-CD1 4.22Å; Y935-L939 WeakPolarHBondContact O-CB 3.49Å; Y935-L939 PolarHBondContact O-N 2.73Å |
| 936 | S | 66.6 | Low | 71.7 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 175.8 | -62.5 | 0 | 0 | 0 | 0 | 112 | D933 L939 R940 | D933-S936 WeakPolarHBondContact O-CA 3.5Å; D933-S936 WeakPolarHBondContact O-CB 3.5Å; D933-S936 PolarHBondContact O-N 3.41Å; S936-L939 PolarHBondContact O-N 3.21Å; S936-R940 WeakPolarHBondContact O-CB 3.39Å; S936-R940 PolarHBondContact O-N 2.97Å |
| 937 | Q | 66.5 | Low | 69.7 | Low | 87 Ų | 87 | 83.2 Ų | 83.2 | 41% | 0.407 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 172 | -70.6 | -174.8 | -13.3 | 0 | 0 | 111.5 | E932 D933 P934 R940 H941 | E932-Q937 HydrophobicContact CB-CG 3.98Å; E932-Q937 HydrophobicContact CG-CG 3.82Å; D933-Q937 PolarHBondContact O-N 3.15Å; P934-Q937 PolarHBondContact O-N 2.91Å; Q937-R940 PolarHBondContact O-N 2.81Å; Q937-H941 WeakPolarHBondContact O-CB 3.32Å; Q937-H941 PolarHBondContact O-CD2 2.76Å; Q937-H941 VanDerWaalsContact O-CD2 3.22Å; Q937-H941 PolarHBondContact O-N 3.23Å |
| 938 | Q | 65.2 | Low | 67.3 | Low | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 175.8 | -76.2 | 177.6 | -1.7 | 0 | 0 | 112.1 | P934 Y935 H941 Q942 | P934-Q938 WeakPolarHBondContact O-CB 3.19Å; P934-Q938 WeakPolarHBondContact O-CG 3.46Å; P934-Q938 PolarHBondContact O-N 2.91Å; Y935-Q938 PolarHBondContact O-N 2.91Å; Q938-H941 PolarHBondContact O-N 3.16Å; Q938-Q942 WeakPolarHBondContact O-CB 3.38Å; Q938-Q942 WeakPolarHBondContact O-CG 3.41Å; Q938-Q942 PolarHBondContact O-N 2.8Å |
| 939 | L | 64.7 | Low | 64.8 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.2 | -149.2 | 83.8 | 0 | 0 | 0 | 111.5 | Y935 S936 Q942 L943 | Y935-L939 HydrophobicContact CE1-CD1 4.22Å; Y935-L939 WeakPolarHBondContact O-CB 3.49Å; Y935-L939 PolarHBondContact O-N 2.73Å; S936-L939 PolarHBondContact O-N 3.21Å; L939-Q942 PolarHBondContact O-N 2.82Å; L939-L943 HydrophobicContact CD2-CD1 4.42Å; L939-L943 HydrophobicContact CG-CD1 4.37Å; L939-L943 WeakPolarHBondContact O-CB 3.5Å; L939-L943 WeakPolarHBondContact O-CD1 3.34Å; L939-L943 VanDerWaalsContact O-CG 3.3Å; L939-L943 WeakPolarHBondContact O-CG 3.39Å; L939-L943 PolarHBondContact O-N 2.85Å |
| 940 | R | 68.1 | Low | 62.3 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 176 | -163.1 | -172 | -85.5 | 144.9 | 4.5 | 111.4 | E932 S936 Q937 Q944 | E932-R940 VanDerWaalsContact CD-NH1 3.27Å; E932-R940 IonicContact OE1-CZ 3.48Å; E932-R940 IonicContact OE1-NH1 3.23Å; E932-R940 PolarHBondContact OE1-NH1 3Å; E932-R940 IonicContact OE1-NH2 3.63Å; E932-R940 PolarHBondContact OE1-NH2 3.48Å; E932-R940 IonicContact OE2-CZ 3.76Å; E932-R940 IonicContact OE2-NH1 2.91Å; E932-R940 PolarHBondContact OE2-NH1 3.39Å; S936-R940 WeakPolarHBondContact O-CB 3.39Å; S936-R940 PolarHBondContact O-N 2.97Å; Q937-R940 PolarHBondContact O-N 2.81Å; R940-Q944 WeakPolarHBondContact O-CB 3.47Å; R940-Q944 WeakPolarHBondContact O-CG 3.4Å; R940-Q944 PolarHBondContact O-N 3.18Å |
| 941 | H | 64.1 | Low | 59.6 | Low | 112 Ų | 112 | 101.6 Ų | 101.6 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 172.9 | -84.5 | -61.2 | 0 | 0 | 0 | 112.7 | Q937 Q938 Q944 Q945 | Q937-H941 WeakPolarHBondContact O-CB 3.32Å; Q937-H941 PolarHBondContact O-CD2 2.76Å; Q937-H941 VanDerWaalsContact O-CD2 3.22Å; Q937-H941 PolarHBondContact O-N 3.23Å; Q938-H941 PolarHBondContact O-N 3.16Å; H941-Q944 PolarHBondContact O-N 3.35Å; H941-Q945 WeakPolarHBondContact O-CB 3.39Å; H941-Q945 WeakPolarHBondContact O-CG 3.26Å; H941-Q945 PolarHBondContact O-N 3.03Å |
| 942 | Q | 59.5 | Low | 57.7 | Low | 122 Ų | 122 | 104.3 Ų | 104.3 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -43.1 | 173.6 | -78.9 | -179.9 | -6.5 | 0 | 0 | 111.8 | Q938 L939 Q944 Q945 S946 | Q938-Q942 WeakPolarHBondContact O-CB 3.38Å; Q938-Q942 WeakPolarHBondContact O-CG 3.41Å; Q938-Q942 PolarHBondContact O-N 2.8Å; L939-Q942 PolarHBondContact O-N 2.82Å; Q942-Q944 VanDerWaalsContact C-N 3.33Å; Q942-Q944 PolarHBondContact O-N 2.56Å; Q942-Q945 CarbonylContact O-C 3.5Å; Q942-Q945 PolarHBondContact O-N 2.9Å; Q942-Q945 VanDerWaalsContact O-N 3.14Å; Q942-S946 WeakPolarHBondContact O-CB 3.43Å; Q942-S946 PolarHBondContact O-N 3.14Å; Q942-S946 PolarHBondContact O-OG 3.04Å |
| 943 | L | 56.6 | Low | 55.3 | Low | 115 Ų | 115 | 112.1 Ų | 112.1 | 60% | 0.602 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -33.5 | 175.8 | -77.4 | 161.3 | 0 | 0 | 0 | 112.8 | L939 | L939-L943 HydrophobicContact CD2-CD1 4.42Å; L939-L943 HydrophobicContact CG-CD1 4.37Å; L939-L943 WeakPolarHBondContact O-CB 3.5Å; L939-L943 WeakPolarHBondContact O-CD1 3.34Å; L939-L943 VanDerWaalsContact O-CG 3.3Å; L939-L943 WeakPolarHBondContact O-CG 3.39Å; L939-L943 PolarHBondContact O-N 2.85Å |
| 944 | Q | 57.2 | Low | 53.1 | Low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.3 | -27 | 172.4 | -82.6 | 178.6 | -11.9 | 0 | 0 | 112.9 | R940 H941 Q942 | R940-Q944 WeakPolarHBondContact O-CB 3.47Å; R940-Q944 WeakPolarHBondContact O-CG 3.4Å; R940-Q944 PolarHBondContact O-N 3.18Å; H941-Q944 PolarHBondContact O-N 3.35Å; Q942-Q944 VanDerWaalsContact C-N 3.33Å; Q942-Q944 PolarHBondContact O-N 2.56Å |
| 945 | Q | 53.7 | Low | 51.6 | Low | 166 Ų | 166 | 124.2 Ų | 124.2 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -84.6 | -22.3 | 174.8 | -74.1 | 178.5 | -0.4 | 0 | 0 | 113.2 | H941 Q942 | H941-Q945 WeakPolarHBondContact O-CB 3.39Å; H941-Q945 WeakPolarHBondContact O-CG 3.26Å; H941-Q945 PolarHBondContact O-N 3.03Å; Q942-Q945 CarbonylContact O-C 3.5Å; Q942-Q945 PolarHBondContact O-N 2.9Å; Q942-Q945 VanDerWaalsContact O-N 3.14Å |
| 946 | S | 48.8 | Very low | 49.7 | Very low | 65 Ų | 65 | 122.4 Ų | 122.4 | 46% | 0.455 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -94.3 | 8.3 | -175.5 | 67.9 | 0 | 0 | 0 | 0 | 116.1 | Q942 T948 | Q942-S946 WeakPolarHBondContact O-CB 3.43Å; Q942-S946 PolarHBondContact O-N 3.14Å; Q942-S946 PolarHBondContact O-OG 3.04Å; S946-T948 VanDerWaalsContact C-N 3.34Å; S946-T948 PolarHBondContact O-N 3.35Å; S946-T948 PolarHBondContact O-OG1 3.38Å |
| 947 | G | 47.6 | Very low | 48.5 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | trans | 43.3 | 43.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 948 | T | 40.7 | Very low | 46.8 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | -128.5 | 106.5 | 178.3 | 23.9 | 0 | 0 | 0 | 0 | 110.7 | S946 | S946-T948 VanDerWaalsContact C-N 3.34Å; S946-T948 PolarHBondContact O-N 3.35Å; S946-T948 PolarHBondContact O-OG1 3.38Å | ||
| 949 | Q | 36.5 | Very low | 45.3 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.1 | 166.6 | -72.9 | -177.1 | -17.9 | 0 | 0 | 109.9 | ||
| 950 | P | 37.4 | Very low | 43.8 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 123.8 | 155.8 | -0.2 | 19.2 | 0 | 0 | 0 | 109.5 | ||
| 951 | A | 33.3 | Very low | 42.6 | Very low | 86 Ų | 86 | 150.1 Ų | 150.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 161.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 952 | P | 44.4 | Very low | 41.5 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 133.1 | -166.7 | 32.6 | -31.5 | 0 | 0 | 0 | 111.3 | ||
| 953 | Q | 31.8 | Very low | 40.5 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -128.3 | 139.6 | 164.8 | -82.9 | -168.8 | -13 | 0 | 0 | 112.7 | ||||
| 954 | R | 31.4 | Very low | 39.5 | Very low | 241 Ų | 241 | 156.1 Ų | 156.1 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 151.7 | -168.1 | -76.6 | 169.2 | 162.8 | 168.2 | -6 | 113.9 | ||||
| 955 | S | 40.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 156.8 Ų | 156.8 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | -14.6 | 126.3 | 156.3 | -178.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 956 | S | 29.2 | Very low | 37.4 | Very low | 117 Ų | 117 | 156.2 Ų | 156.2 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -153.8 | 124.7 | 138.5 | 32.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 957 | Y | 40.3 | Very low | 36.6 | Very low | 214 Ų | 214 | 162.7 Ų | 162.7 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -51.5 | 147.1 | 167.1 | -83.6 | -104.8 | 0 | 0 | 0 | 111.9 | ||||
| 958 | I | 31.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 169.7 Ų | 169.7 | 87% | 0.872 | 86% | 0.861 | S | S | * | * | trans | -158.6 | 135.3 | 138.2 | -90.7 | 139.2 | 0 | 0 | 0 | 109.3 | ||||
| 959 | R | 33.8 | Very low | 35.3 | Very low | 225 Ų | 225 | 174 Ų | 174 | 85% | 0.849 | 87% | 0.872 | S | S | * | * | trans | -61.1 | 142.9 | 177.9 | -69.2 | 170.2 | 170.8 | 167.7 | -4.4 | 112.9 | ||||
| 960 | F | 34.1 | Very low | 35.2 | Very low | 281 Ų | 281 | 172.3 Ų | 172.3 | 100% | 1.232 | 87% | 0.87 | S | S | * | * | -161.2 | 0 | 110.4 | -101.9 | -73.6 | 0 | 0 | 0 | 110.3 |
Retrieved 960 of 960 residues in 230.6 ms
(Link to these results)