| 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 | 41.3 | Very low | 61.2 | Low | 206 Ų | 206 | 122.8 Ų | 122.8 | 100% | 1.015 | 64% | 0.644 | S | S | * | * | 0 | 125 | 0 | -58.4 | -178.2 | 78.8 | 0 | 0 | 105.7 | |||||
| 2 | T | 40.3 | Very low | 62.9 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 58% | 0.577 | 62% | 0.615 | S | S | * | * | trans | -79.2 | 167 | 175.1 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | D4 | T2-D4 WeakPolarHBondContact CB-OD2 3.43Å; T2-D4 PolarHBondContact O-N 3.33Å; T2-D4 PolarHBondContact OG1-OD2 3.14Å; T2-D4 VanDerWaalsContact OG1-OD2 3.09Å | ||
| 3 | C | 53.2 | Low | 64.6 | Low | 95 Ų | 95 | 113.2 Ų | 113.2 | 64% | 0.642 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -63.8 | -22.5 | -173.5 | -152.1 | 0 | 0 | 0 | 0 | 112.8 | D5 W6 | C3-D5 PolarHBondContact O-N 2.99Å; C3-D5 VanDerWaalsContact O-N 3.16Å; C3-W6 PolarHBondContact O-N 2.89Å |
| 4 | D | 55.7 | Low | 66 | Low | 128 Ų | 128 | 109.1 Ų | 109.1 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -68.2 | -15.4 | -168.6 | -40.4 | -66.2 | 0 | 0 | 0 | 114.6 | T2 W6 | T2-D4 WeakPolarHBondContact CB-OD2 3.43Å; T2-D4 PolarHBondContact O-N 3.33Å; T2-D4 PolarHBondContact OG1-OD2 3.14Å; T2-D4 VanDerWaalsContact OG1-OD2 3.09Å; D4-W6 VanDerWaalsContact C-N 3.3Å; D4-W6 PolarHBondContact O-N 3.1Å |
| 5 | D | 59 | Low | 67.1 | Low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -78.5 | -9.5 | 178.4 | -70.4 | -32.2 | 0 | 0 | 0 | 113.5 | C3 N7 | C3-D5 PolarHBondContact O-N 2.99Å; C3-D5 VanDerWaalsContact O-N 3.16Å; D5-N7 PolarHBondContact O-N 2.92Å |
| 6 | W | 60.6 | Low | 68.2 | Low | 121 Ų | 121 | 113.3 Ų | 113.3 | 46% | 0.458 | 61% | 0.608 | S | S | . | * | trans | -95.3 | 72.1 | -171.6 | -67.4 | 59.1 | 0 | 0 | 0 | 111.8 | C3 D4 S8 W42 | C3-W6 PolarHBondContact O-N 2.89Å; D4-W6 VanDerWaalsContact C-N 3.3Å; D4-W6 PolarHBondContact O-N 3.1Å; W6-S8 PolarHBondContact O-N 3.22Å; W6-W42 HydrophobicContact CH2-CB 4.21Å; W6-W42 HydrophobicContact CZ3-CB 4.3Å | ||
| 7 | N | 59.4 | Low | 69.4 | Low | 151 Ų | 151 | 112.2 Ų | 112.2 | 81% | 0.807 | 60% | 0.597 | S | S | * | * | trans | -60.6 | -2.4 | -175.4 | -77.7 | -43.4 | 0 | 0 | 0 | 116.9 | D5 | D5-N7 PolarHBondContact O-N 2.92Š| ||
| 8 | S | 71.4 | Confident | 70.5 | Confident | 103 Ų | 103 | 109.9 Ų | 109.9 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | trans | -152.3 | 118.3 | 176.8 | 50 | 0 | 0 | 0 | 0 | 112.1 | W6 | W6-S8 PolarHBondContact O-N 3.22Š| ||
| 9 | F | 74.6 | Confident | 71.4 | Confident | 158 Ų | 158 | 106.8 Ų | 106.8 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | trans | -110.5 | 149.6 | 169.4 | 62.8 | -89.6 | 0 | 0 | 0 | 110.3 | ||||
| 10 | I | 76.4 | Confident | 72.3 | Confident | 85 Ų | 85 | 108 Ų | 108 | 44% | 0.436 | 57% | 0.572 | S | S | . | * | trans | -112.1 | 115.8 | 173.1 | -58.4 | 176.3 | 0 | 0 | 0 | 107.3 | V12 T157 | I10-V12 HydrophobicContact CG2-CG2 4.05Å; I10-T157 HydrophobicContact CG2-CG2 4.33Å | ||
| 11 | Q | 80.8 | Confident | 73.2 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | trans | -81.9 | 120 | 171.9 | -175.8 | 175.5 | -11.1 | 0 | 0 | 109.8 | N13 | Q11-N13 WeakPolarHBondContact CG-OD1 3.3Å; Q11-N13 PolarHBondContact NE2-ND2 3.47Å; Q11-N13 PolarHBondContact NE2-OD1 3.32Å | ||
| 12 | V | 82.3 | Confident | 75.5 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 30% | 0.303 | 51% | 0.507 | S | S | . | . | trans | -112.1 | 108.5 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | I10 I14 | I10-V12 HydrophobicContact CG2-CG2 4.05Å; V12-I14 HydrophobicContact CG1-CG1 4.2Å | ||
| 13 | N | 84.3 | Confident | 77.9 | Confident | 71 Ų | 71 | 96.2 Ų | 96.2 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | trans | -90.3 | 116.8 | 179.3 | -69.1 | -25.4 | 0 | 0 | 0 | 110.2 | Q11 Y15 | Q11-N13 WeakPolarHBondContact CG-OD1 3.3Å; Q11-N13 PolarHBondContact NE2-ND2 3.47Å; Q11-N13 PolarHBondContact NE2-OD1 3.32Å; N13-Y15 HydrophobicContact CB-CE2 3.96Å | ||
| 14 | I | 84.8 | Confident | 79.8 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 29% | 0.287 | 52% | 0.515 | S | S | . | . | trans | -108 | 121.7 | 179.9 | -55.3 | 176.6 | 0 | 0 | 0 | 107.6 | V12 L22 L29 | V12-I14 HydrophobicContact CG1-CG1 4.2Å; I14-L22 HydrophobicContact CD1-CD1 3.75Å; I14-L22 HydrophobicContact CG2-CD1 3.94Å; I14-L29 HydrophobicContact CD1-CD2 3.91Å | ||
| 15 | Y | 82.4 | Confident | 81.5 | Confident | 197 Ų | 197 | 98.3 Ų | 98.3 | 77% | 0.773 | 51% | 0.505 | S | S | * | . | trans | -105.5 | 132.8 | -175.7 | -62.7 | -78.4 | 0 | 0 | 0 | 111.6 | N13 K17 | N13-Y15 HydrophobicContact CB-CE2 3.96Å; Y15-K17 VanDerWaalsContact C-N 3.31Å; Y15-K17 PolarHBondContact O-N 2.8Å | ||
| 16 | G | 84.8 | Confident | 83.2 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 91% | 0.907 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 77.2 | 4.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 17 | K | 87.8 | Confident | 84.6 | Confident | 94 Ų | 94 | 93.2 Ų | 93.2 | 41% | 0.409 | 50% | 0.504 | S | S | . | . | trans | -142.3 | 140 | 173.5 | -65.9 | -177.1 | -179.5 | 174.7 | 0 | 109.9 | Y15 L22 | Y15-K17 VanDerWaalsContact C-N 3.31Å; Y15-K17 PolarHBondContact O-N 2.8Å; K17-L22 HydrophobicContact CB-CD2 4.38Å; K17-L22 HydrophobicContact CB-CG 4.41Å; K17-L22 HydrophobicContact CD-CD2 3.88Å | ||
| 18 | T | 89.3 | Confident | 86.2 | Confident | 71 Ų | 71 | 89.1 Ų | 89.1 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | trans | -75.1 | 166.9 | 167.6 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | E20 G21 L22 E45 | T18-E20 VanDerWaalsContact C-N 3.31Å; T18-E20 PolarHBondContact O-N 2.99Å; T18-G21 PolarHBondContact O-N 3.39Å; T18-G21 VanDerWaalsContact O-N 3.15Å; T18-G21 PolarHBondContact OG1-N 2.85Å; T18-G21 VanDerWaalsContact OG1-N 3.16Å; T18-L22 PolarHBondContact O-N 3.18Å; T18-E45 WeakPolarHBondContact CA-OE1 3.48Å; T18-E45 WeakPolarHBondContact CB-OE1 3.19Å | ||
| 19 | I | 88.2 | Confident | 87.1 | Confident | 51 Ų | 51 | 85.1 Ų | 85.1 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.4 | -58.5 | -177.5 | 0 | 0 | 0 | 110.7 | G21 L22 Q23 I43 E45 | I19-G21 VanDerWaalsContact C-N 3.3Å; I19-G21 PolarHBondContact O-N 2.8Å; I19-L22 WeakPolarHBondContact O-CB 3.42Å; I19-L22 PolarHBondContact O-N 2.76Å; I19-L22 VanDerWaalsContact O-N 3.15Å; I19-Q23 PolarHBondContact O-N 3.31Å; I19-Q23 VanDerWaalsContact O-N 3.15Å; I19-I43 HydrophobicContact CD1-CG2 3.72Å; I19-E45 HydrophobicContact CD1-CB 3.85Å; I19-E45 HydrophobicContact CD1-CG 4.28Å; I19-E45 HydrophobicContact CG1-CB 4.47Å; I19-E45 HydrophobicContact CG1-CG 4.4Å; I19-E45 PolarHBondContact N-OE1 2.87Å |
| 20 | E | 89 | Confident | 87.8 | Confident | 131 Ų | 131 | 83.1 Ų | 83.1 | 61% | 0.612 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.8 | -40.3 | 174.4 | -61.1 | -177.1 | 164.4 | 0 | 0 | 112.4 | T18 L22 Q23 Q24 | T18-E20 VanDerWaalsContact C-N 3.31Å; T18-E20 PolarHBondContact O-N 2.99Å; E20-L22 PolarHBondContact O-N 2.83Å; E20-Q23 PolarHBondContact O-N 3.08Å; E20-Q23 VanDerWaalsContact O-N 3.14Å; E20-Q24 WeakPolarHBondContact O-CG 3.44Å; E20-Q24 PolarHBondContact O-N 3.19Å |
| 21 | G | 91.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 81.9 Ų | 81.9 | 13% | 0.134 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67 | -21.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T18 I19 Q25 | T18-G21 PolarHBondContact O-N 3.39Å; T18-G21 VanDerWaalsContact O-N 3.15Å; T18-G21 PolarHBondContact OG1-N 2.85Å; T18-G21 VanDerWaalsContact OG1-N 3.16Å; I19-G21 VanDerWaalsContact C-N 3.3Å; I19-G21 PolarHBondContact O-N 2.8Å; G21-Q25 WeakPolarHBondContact O-CG 3.29Å; G21-Q25 PolarHBondContact O-NE2 2.73Å; G21-Q25 VanDerWaalsContact O-NE2 3.14Å |
| 22 | L | 90.4 | Very high | 88.9 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -79.8 | -41.2 | 168.9 | -70.5 | 177.4 | 0 | 0 | 0 | 111.7 | I14 K17 T18 I19 E20 Q24 Q25 G26 V27 | I14-L22 HydrophobicContact CD1-CD1 3.75Å; I14-L22 HydrophobicContact CG2-CD1 3.94Å; K17-L22 HydrophobicContact CB-CD2 4.38Å; K17-L22 HydrophobicContact CB-CG 4.41Å; K17-L22 HydrophobicContact CD-CD2 3.88Å; T18-L22 PolarHBondContact O-N 3.18Å; I19-L22 WeakPolarHBondContact O-CB 3.42Å; I19-L22 PolarHBondContact O-N 2.76Å; I19-L22 VanDerWaalsContact O-N 3.15Å; E20-L22 PolarHBondContact O-N 2.83Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.86Å; L22-Q25 CarbonylContact O-C 3.53Å; L22-Q25 WeakPolarHBondContact O-CA 3.22Å; L22-Q25 WeakPolarHBondContact O-CB 3.4Å; L22-Q25 PolarHBondContact O-N 2.73Å; L22-G26 PolarHBondContact O-N 3.29Å; L22-V27 CarbonylContact C-O 3.5Å; L22-V27 HydrophobicContact CB-CB 4.21Å; L22-V27 PolarHBondContact O-N 3.24Å |
| 23 | Q | 90.3 | Very high | 89.3 | Confident | 132 Ų | 132 | 78.7 Ų | 78.7 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | 177.2 | -171.5 | 177.3 | 1.7 | 0 | 0 | 111.9 | I19 E20 Q25 G26 | I19-Q23 PolarHBondContact O-N 3.31Å; I19-Q23 VanDerWaalsContact O-N 3.15Å; E20-Q23 PolarHBondContact O-N 3.08Å; E20-Q23 VanDerWaalsContact O-N 3.14Å; Q23-Q25 PolarHBondContact O-N 2.89Å; Q23-G26 PolarHBondContact O-N 3.19Å |
| 24 | Q | 92.9 | Very high | 89.5 | Confident | 165 Ų | 165 | 79 Ų | 79 | 77% | 0.771 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.6 | 172.9 | -71.2 | 175.8 | 10.1 | 0 | 0 | 113.7 | E20 L22 | E20-Q24 WeakPolarHBondContact O-CG 3.44Å; E20-Q24 PolarHBondContact O-N 3.19Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.86Å |
| 25 | Q | 91.8 | Very high | 89.8 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 13.2 | 175.7 | -68.6 | 159.8 | 19.5 | 0 | 0 | 112.3 | G21 L22 Q23 V27 | G21-Q25 WeakPolarHBondContact O-CG 3.29Å; G21-Q25 PolarHBondContact O-NE2 2.73Å; G21-Q25 VanDerWaalsContact O-NE2 3.14Å; L22-Q25 CarbonylContact O-C 3.53Å; L22-Q25 WeakPolarHBondContact O-CA 3.22Å; L22-Q25 WeakPolarHBondContact O-CB 3.4Å; L22-Q25 PolarHBondContact O-N 2.73Å; Q23-Q25 PolarHBondContact O-N 2.89Å; Q25-V27 PolarHBondContact O-N 3.25Å |
| 26 | G | 93.5 | Very high | 90.1 | Very high | 64 Ų | 64 | 79.6 Ų | 79.6 | 66% | 0.66 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L22 Q23 V28 | L22-G26 PolarHBondContact O-N 3.29Å; Q23-G26 PolarHBondContact O-N 3.19Å; G26-V28 PolarHBondContact O-N 3.2Å |
| 27 | V | 91.5 | Very high | 90.2 | Very high | 51 Ų | 51 | 78.1 Ų | 78.1 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | trans | -89.3 | 89.4 | -179 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | L22 Q25 L29 | L22-V27 CarbonylContact C-O 3.5Å; L22-V27 HydrophobicContact CB-CB 4.21Å; L22-V27 PolarHBondContact O-N 3.24Å; Q25-V27 PolarHBondContact O-N 3.25Å; V27-L29 PolarHBondContact O-N 3.28Å | ||
| 28 | V | 92.1 | Very high | 90 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | trans | -80.1 | 101.5 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | G26 E30 S31 L32 | G26-V28 PolarHBondContact O-N 3.2Å; V28-E30 VanDerWaalsContact C-N 3.25Å; V28-E30 HydrophobicContact CG1-CB 4.28Å; V28-E30 PolarHBondContact O-N 2.86Å; V28-S31 WeakPolarHBondContact CG1-OG 3.2Å; V28-S31 WeakPolarHBondContact O-CB 3.49Å; V28-S31 PolarHBondContact O-N 3.28Å; V28-S31 VanDerWaalsContact O-N 3.1Å; V28-L32 PolarHBondContact O-N 3.14Å; V28-L32 VanDerWaalsContact O-N 3.15Å | ||
| 29 | L | 90 | Very high | 89.5 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 11% | 0.105 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.8 | -34 | -175.8 | -175.6 | 60 | 0 | 0 | 0 | 112.8 | I14 V27 L32 L33 I43 | I14-L29 HydrophobicContact CD1-CD2 3.91Å; V27-L29 PolarHBondContact O-N 3.28Å; L29-L32 HydrophobicContact CD1-CD2 4.18Å; L29-L32 PolarHBondContact O-N 3.12Å; L29-L33 HydrophobicContact CD1-CD1 4.15Å; L29-L33 HydrophobicContact CD1-CG 4.23Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CG 3.1Å; L29-L33 PolarHBondContact O-N 3.02Å; L29-I43 HydrophobicContact CB-CD1 4.33Å; L29-I43 HydrophobicContact CD2-CD1 4.11Å; L29-I43 HydrophobicContact CD2-CG2 4.28Å; L29-I43 HydrophobicContact CG-CD1 4.05Å |
| 30 | E | 89.1 | Confident | 89.2 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 174 | -63.1 | -179.1 | 168.5 | 0 | 0 | 111.9 | V28 L32 L33 N34 I43 | V28-E30 VanDerWaalsContact C-N 3.25Å; V28-E30 HydrophobicContact CG1-CB 4.28Å; V28-E30 PolarHBondContact O-N 2.86Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.18Å; E30-L33 PolarHBondContact O-N 2.74Å; E30-N34 VanDerWaalsContact O-CB 3.27Å; E30-N34 WeakPolarHBondContact O-CB 3.35Å; E30-N34 VanDerWaalsContact O-CG 3.32Å; E30-N34 PolarHBondContact O-N 3.19Å; E30-N34 PolarHBondContact O-ND2 3.3Å; E30-I43 HydrophobicContact CG-CD1 3.68Å |
| 31 | S | 90.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 42% | 0.42 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | V28 N35 | V28-S31 WeakPolarHBondContact CG1-OG 3.2Å; V28-S31 WeakPolarHBondContact O-CB 3.49Å; V28-S31 PolarHBondContact O-N 3.28Å; V28-S31 VanDerWaalsContact O-N 3.1Å; S31-N35 WeakPolarHBondContact O-CB 3.26Å; S31-N35 PolarHBondContact O-N 2.95Å; S31-N35 PolarHBondContact O-ND2 2.7Å |
| 32 | L | 90.9 | Very high | 88.2 | Confident | 66 Ų | 66 | 87.6 Ų | 87.6 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.3 | -171.5 | 80.4 | 0 | 0 | 0 | 111.5 | V28 L29 E30 N35 I36 L155 | V28-L32 PolarHBondContact O-N 3.14Å; V28-L32 VanDerWaalsContact O-N 3.15Å; L29-L32 HydrophobicContact CD1-CD2 4.18Å; L29-L32 PolarHBondContact O-N 3.12Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.18Å; L32-N35 PolarHBondContact O-N 2.92Å; L32-I36 HydrophobicContact CG-CD1 4.42Å; L32-I36 WeakPolarHBondContact O-CD1 3.4Å; L32-I36 WeakPolarHBondContact O-CG1 3.28Å; L32-I36 PolarHBondContact O-N 3.48Å; L32-L155 HydrophobicContact CD2-CD1 3.84Å |
| 33 | L | 89.5 | Confident | 87.9 | Confident | 25 Ų | 25 | 89.4 Ų | 89.4 | 13% | 0.131 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -73.1 | -35.2 | -178.1 | -67.5 | 172.6 | 0 | 0 | 0 | 112.2 | L29 E30 N35 I36 G37 C38 L41 I43 | L29-L33 HydrophobicContact CD1-CD1 4.15Å; L29-L33 HydrophobicContact CD1-CG 4.23Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CG 3.1Å; L29-L33 PolarHBondContact O-N 3.02Å; E30-L33 PolarHBondContact O-N 2.74Å; L33-N35 VanDerWaalsContact C-N 3.34Å; L33-N35 PolarHBondContact O-N 2.85Å; L33-I36 PolarHBondContact O-N 3.42Å; L33-G37 PolarHBondContact O-N 3.35Å; L33-C38 HydrophobicContact CB-CB 4.4Å; L33-C38 WeakPolarHBondContact O-CB 3.45Å; L33-C38 PolarHBondContact O-N 3.05Å; L33-L41 HydrophobicContact CB-CD1 3.51Å; L33-L41 HydrophobicContact CB-CD2 3.83Å; L33-L41 HydrophobicContact CB-CG 4.32Å; L33-L41 HydrophobicContact CD1-CD1 4.36Å; L33-L41 HydrophobicContact CD1-CD2 3.89Å; L33-L41 HydrophobicContact CG-CD2 4.47Å; L33-I43 HydrophobicContact CD1-CD1 4.23Å |
| 34 | N | 90 | Very high | 87.3 | Confident | 78 Ų | 78 | 88.1 Ų | 88.1 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 170.4 | -82.7 | -47.6 | 0 | 0 | 0 | 111.5 | E30 I36 G37 C38 | E30-N34 VanDerWaalsContact O-CB 3.27Å; E30-N34 WeakPolarHBondContact O-CB 3.35Å; E30-N34 VanDerWaalsContact O-CG 3.32Å; E30-N34 PolarHBondContact O-N 3.19Å; E30-N34 PolarHBondContact O-ND2 3.3Å; N34-I36 PolarHBondContact O-N 2.91Å; N34-G37 WeakPolarHBondContact O-CA 3.45Å; N34-G37 PolarHBondContact O-N 3.37Å; N34-C38 PolarHBondContact OD1-O 3.3Å; N34-C38 VanDerWaalsContact OD1-O 3.13Å |
| 35 | N | 90.1 | Very high | 86.7 | Confident | 143 Ų | 143 | 85.6 Ų | 85.6 | 77% | 0.765 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -25.1 | 176.3 | -72.6 | -16.8 | 0 | 0 | 0 | 113.3 | S31 L32 L33 G37 | S31-N35 WeakPolarHBondContact O-CB 3.26Å; S31-N35 PolarHBondContact O-N 2.95Å; S31-N35 PolarHBondContact O-ND2 2.7Å; L32-N35 PolarHBondContact O-N 2.92Å; L33-N35 VanDerWaalsContact C-N 3.34Å; L33-N35 PolarHBondContact O-N 2.85Å; N35-G37 VanDerWaalsContact C-N 3.25Å |
| 36 | I | 88.1 | Confident | 85.7 | Confident | 122 Ų | 122 | 83.4 Ų | 83.4 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.9 | 173.9 | -65.4 | 164 | 0 | 0 | 0 | 111.5 | L32 L33 N34 | L32-I36 HydrophobicContact CG-CD1 4.42Å; L32-I36 WeakPolarHBondContact O-CD1 3.4Å; L32-I36 WeakPolarHBondContact O-CG1 3.28Å; L32-I36 PolarHBondContact O-N 3.48Å; L33-I36 PolarHBondContact O-N 3.42Å; N34-I36 PolarHBondContact O-N 2.91Å |
| 37 | G | 88.2 | Confident | 84.3 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | 4.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L33 N34 N35 S39 | L33-G37 PolarHBondContact O-N 3.35Å; N34-G37 WeakPolarHBondContact O-CA 3.45Å; N34-G37 PolarHBondContact O-N 3.37Å; N35-G37 VanDerWaalsContact C-N 3.25Å; G37-S39 PolarHBondContact O-N 3.29Å; G37-S39 VanDerWaalsContact O-N 3.11Å |
| 38 | C | 83.6 | Confident | 82.3 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 25% | 0.25 | 49% | 0.492 | C | S | . | . | trans | -82.2 | 84.7 | 177 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | L33 N34 K40 L41 | L33-C38 HydrophobicContact CB-CB 4.4Å; L33-C38 WeakPolarHBondContact O-CB 3.45Å; L33-C38 PolarHBondContact O-N 3.05Å; N34-C38 PolarHBondContact OD1-O 3.3Å; N34-C38 VanDerWaalsContact OD1-O 3.13Å; C38-K40 PolarHBondContact O-N 3.13Å; C38-L41 HydrophobicContact CB-CD2 3.66Å; C38-L41 HydrophobicContact CB-CG 4.25Å; C38-L41 WeakPolarHBondContact O-CD1 3.39Å; C38-L41 VanDerWaalsContact O-CG 3.27Å; C38-L41 WeakPolarHBondContact O-CG 3.3Å | ||
| 39 | S | 78.3 | Confident | 80.1 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | trans | -83.2 | -1.9 | -174.9 | 57.9 | 0 | 0 | 0 | 0 | 115.9 | G37 | G37-S39 PolarHBondContact O-N 3.29Å; G37-S39 VanDerWaalsContact O-N 3.11Å | ||
| 40 | K | 80.9 | Confident | 77.8 | Confident | 175 Ų | 175 | 99.9 Ų | 99.9 | 76% | 0.761 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -130.2 | 91.9 | 175.1 | -68.2 | -175.8 | -178.2 | 179.5 | 0 | 108.7 | C38 | C38-K40 PolarHBondContact O-N 3.13Š|
| 41 | L | 79.6 | Confident | 75.6 | Confident | 63 Ų | 63 | 99.6 Ų | 99.6 | 33% | 0.33 | 55% | 0.552 | S | S | . | * | trans | -107.4 | 134 | -175.9 | -67.2 | 167.3 | 0 | 0 | 0 | 110.4 | L33 C38 | L33-L41 HydrophobicContact CB-CD1 3.51Å; L33-L41 HydrophobicContact CB-CD2 3.83Å; L33-L41 HydrophobicContact CB-CG 4.32Å; L33-L41 HydrophobicContact CD1-CD1 4.36Å; L33-L41 HydrophobicContact CD1-CD2 3.89Å; L33-L41 HydrophobicContact CG-CD2 4.47Å; C38-L41 HydrophobicContact CB-CD2 3.66Å; C38-L41 HydrophobicContact CB-CG 4.25Å; C38-L41 WeakPolarHBondContact O-CD1 3.39Å; C38-L41 VanDerWaalsContact O-CG 3.27Å; C38-L41 WeakPolarHBondContact O-CG 3.3Å | ||
| 42 | W | 80.5 | Confident | 73.3 | Confident | 183 Ų | 183 | 104.1 Ų | 104.1 | 69% | 0.693 | 57% | 0.571 | S | S | * | * | trans | -125.3 | 108.7 | 160.6 | -171.3 | -5.9 | 0 | 0 | 0 | 106.4 | W6 V44 | W6-W42 HydrophobicContact CH2-CB 4.21Å; W6-W42 HydrophobicContact CZ3-CB 4.3Å; W42-V44 HydrophobicContact CG-CG2 4.33Å; W42-V44 VanDerWaalsContact NE1-CG2 3.3Å | ||
| 43 | I | 83.6 | Confident | 70.6 | Confident | 55 Ų | 55 | 107.4 Ų | 107.4 | 28% | 0.282 | 59% | 0.593 | S | S | . | * | trans | -99.2 | 127.4 | 178.2 | -53.2 | 179.4 | 0 | 0 | 0 | 107.3 | I19 L29 E30 L33 | I19-I43 HydrophobicContact CD1-CG2 3.72Å; L29-I43 HydrophobicContact CB-CD1 4.33Å; L29-I43 HydrophobicContact CD2-CD1 4.11Å; L29-I43 HydrophobicContact CD2-CG2 4.28Å; L29-I43 HydrophobicContact CG-CD1 4.05Å; E30-I43 HydrophobicContact CG-CD1 3.68Å; L33-I43 HydrophobicContact CD1-CD1 4.23Å | ||
| 44 | V | 79.3 | Confident | 68.1 | Low | 104 Ų | 104 | 112.9 Ų | 112.9 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | trans | -131.8 | 128.5 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | W42 G46 | W42-V44 HydrophobicContact CG-CG2 4.33Å; W42-V44 VanDerWaalsContact NE1-CG2 3.3Å; V44-G46 PolarHBondContact O-N 3.12Å; V44-G46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | E | 78.9 | Confident | 65.5 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 52% | 0.523 | 65% | 0.646 | S | S | . | * | trans | -77.7 | 95.5 | 174 | -164.4 | 158.1 | -149.7 | 0 | 0 | 109.4 | T18 I19 S47 | T18-E45 WeakPolarHBondContact CA-OE1 3.48Å; T18-E45 WeakPolarHBondContact CB-OE1 3.19Å; I19-E45 HydrophobicContact CD1-CB 3.85Å; I19-E45 HydrophobicContact CD1-CG 4.28Å; I19-E45 HydrophobicContact CG1-CB 4.47Å; I19-E45 HydrophobicContact CG1-CG 4.4Å; I19-E45 PolarHBondContact N-OE1 2.87Å; E45-S47 PolarHBondContact O-N 2.92Å | ||
| 46 | G | 71.9 | Confident | 63.1 | Low | 56 Ų | 56 | 117.1 Ų | 117.1 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | trans | -71.8 | 111.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V44 M48 | V44-G46 PolarHBondContact O-N 3.12Å; V44-G46 VanDerWaalsContact O-N 3.11Å; G46-M48 PolarHBondContact O-N 3.27Å; G46-M48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | S | 63.6 | Low | 60.4 | Low | 81 Ų | 81 | 116.6 Ų | 116.6 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | trans | -64.8 | 112.7 | 167.6 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | E45 Y49 | E45-S47 PolarHBondContact O-N 2.92Å; S47-Y49 PolarHBondContact O-N 3.25Å; S47-Y49 VanDerWaalsContact O-N 3.07Å | ||
| 48 | M | 49 | Very low | 57.8 | Low | 139 Ų | 139 | 120 Ų | 120 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -2.1 | 178.7 | -74.3 | -80.2 | 165.5 | 0 | 0 | 113.9 | G46 | G46-M48 PolarHBondContact O-N 3.27Å; G46-M48 VanDerWaalsContact O-N 3.14Å |
| 49 | Y | 47.1 | Very low | 55.6 | Low | 209 Ų | 209 | 128.9 Ų | 128.9 | 82% | 0.82 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | 69.7 | 178.4 | -66 | -81.7 | 0 | 0 | 0 | 112.1 | S47 | S47-Y49 PolarHBondContact O-N 3.25Å; S47-Y49 VanDerWaalsContact O-N 3.07Å |
| 50 | T | 40.5 | Very low | 53.4 | Low | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | -90.6 | 103 | 153.4 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 51 | S | 42.6 | Very low | 51.2 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -51.9 | 143.6 | 170.7 | -52.7 | 0 | 0 | 0 | 0 | 111 | T53 | S51-T53 PolarHBondContact O-N 3.45Š| ||
| 52 | L | 44.1 | Very low | 49 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | -43.7 | 108.1 | -175.5 | -79 | 69 | 0 | 0 | 0 | 113.3 | ||||
| 53 | T | 34.1 | Very low | 46.5 | Very low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -82.7 | 108.6 | 147.1 | 31.1 | 0 | 0 | 0 | 0 | 107.7 | S51 E55 | S51-T53 PolarHBondContact O-N 3.45Å; T53-E55 PolarHBondContact O-N 3.49Å; T53-E55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | N | 35.5 | Very low | 44.4 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -62 | 114.2 | 174.9 | -71.6 | -19.9 | 0 | 0 | 0 | 110 | S56 | N54-S56 PolarHBondContact O-N 2.81Š| ||
| 55 | E | 35.5 | Very low | 42.3 | Very low | 191 Ų | 191 | 138 Ų | 138 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -76.5 | 119.6 | 160.2 | -68.5 | -168.6 | 170.5 | 0 | 0 | 109.4 | T53 | T53-E55 PolarHBondContact O-N 3.49Å; T53-E55 VanDerWaalsContact O-N 3.16Å | ||
| 56 | S | 40 | Very low | 40.5 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -142.3 | 88.2 | 159.8 | 171.4 | 0 | 0 | 0 | 0 | 107.7 | N54 | N54-S56 PolarHBondContact O-N 2.81Š| ||
| 57 | S | 31.9 | Very low | 38.5 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -131.2 | 120.6 | 166.9 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 58 | T | 32.8 | Very low | 37.1 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -130 | 107.2 | 166.5 | -55.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 59 | Y | 37 | Very low | 36.5 | Very low | 223 Ų | 223 | 143.4 Ų | 143.4 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | 35.8 | 116.9 | 163.7 | -69.8 | -92 | 0 | 0 | 0 | 120.1 | ||||
| 60 | S | 32.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | -167.8 | 150.6 | 110.5 | 57 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 61 | E | 34.9 | Very low | 35.1 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -76.7 | 132.9 | -174.6 | 175.6 | 179.5 | -168.4 | 0 | 0 | 114.3 | ||||
| 62 | S | 32.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | 167.3 | 135.7 | 132.9 | 45.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 63 | T | 29.9 | Very low | 34.2 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | trans | 56.7 | 91.5 | 141.7 | -44.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 64 | I | 39 | Very low | 34.3 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | 58.3 | 138.1 | 118.8 | -63.7 | 174.6 | 0 | 0 | 0 | 122.1 | |||||
| 65 | E | 33.8 | Very low | 34.1 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | 89.2 | 150 | 162 | -86.2 | -176.8 | -155 | 0 | 0 | 119.8 | ||||
| 66 | P | 41.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -122.4 | 146.4 | -133.5 | 35.6 | -18.1 | 0 | 0 | 0 | 114.7 | ||||
| 67 | V | 31.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 140 Ų | 140 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -112.8 | 129.2 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | V | 34.7 | Very low | 34.8 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 134.8 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | L70 | V68-L70 PolarHBondContact O-N 3.46Š|
| 69 | P | 35.8 | Very low | 35.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72 | 122.2 | 172.3 | 29.2 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 70 | L | 29.5 | Very low | 35.3 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 142.4 | 175.3 | -84.9 | 161 | 0 | 0 | 0 | 111.9 | V68 | V68-L70 PolarHBondContact O-N 3.46Š|
| 71 | S | 28 | Very low | 35.6 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58 | 132.4 | -173.4 | -48.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 72 | T | 34.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -87.3 | 111.1 | 161 | 44.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 73 | T | 33.8 | Very low | 35.8 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -71.4 | 128.4 | 174.1 | 17.3 | 0 | 0 | 0 | 0 | 111.3 | A75 | T73-A75 PolarHBondContact O-N 3.39Š| ||
| 74 | L | 36.2 | Very low | 36.4 | Very low | 167 Ų | 167 | 147 Ų | 147 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -68.2 | 109.4 | 173.7 | -74.3 | 164.4 | 0 | 0 | 0 | 110.7 | T76 | L74-T76 PolarHBondContact O-N 3.01Š| ||
| 75 | A | 31.5 | Very low | 36.4 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -92 | 77.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T73 N77 | T73-A75 PolarHBondContact O-N 3.39Å; A75-N77 PolarHBondContact O-N 2.82Å; A75-N77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | T | 40.8 | Very low | 36.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 82% | 0.82 | S | S | * | * | trans | -73.6 | 95.8 | 166.7 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | L74 | L74-T76 PolarHBondContact O-N 3.01Š| ||
| 77 | N | 34.6 | Very low | 36.2 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -163.6 | 134.5 | 153.4 | -97.6 | -37 | 0 | 0 | 0 | 112 | A75 L79 | A75-N77 PolarHBondContact O-N 2.82Å; A75-N77 VanDerWaalsContact O-N 3.14Å; N77-L79 PolarHBondContact O-N 3.3Å | ||
| 78 | K | 45.3 | Very low | 36.2 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -77.8 | 119.7 | -179.4 | -62.6 | 177.2 | 179.6 | 176.6 | 0 | 110.1 | ||||
| 79 | L | 44.2 | Very low | 36.5 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -135 | 134.3 | 166.2 | -74 | 174.9 | 0 | 0 | 0 | 110.1 | N77 | N77-L79 PolarHBondContact O-N 3.3Š| ||
| 80 | P | 37.6 | Very low | 36.4 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | trans | -77.2 | 124.4 | 178.3 | 31 | -32.5 | 0 | 0 | 0 | 110.4 | ||||
| 81 | R | 37.4 | Very low | 37 | Very low | 249 Ų | 249 | 142.3 Ų | 142.3 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | trans | -87.7 | 107.8 | 168.9 | -76.6 | -171.5 | 174.3 | -169 | -0.6 | 110 | ||||
| 82 | F | 36.3 | Very low | 37.7 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 166.5 | 162.4 | -88.4 | -88.1 | 0 | 0 | 0 | 111.7 | ||||
| 83 | S | 35.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 96.3 | 122.9 | 152.4 | -51.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 84 | T | 43.2 | Very low | 38.2 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 151.2 | 162.5 | 32.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 85 | P | 40 | Very low | 38.5 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 131.2 | 171.6 | 32 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 86 | A | 33.7 | Very low | 38.9 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 126.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G88 | A86-G88 PolarHBondContact O-N 2.85Š|
| 87 | V | 36.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 75% | 0.745 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 110.9 | 178 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | H89 | V87-H89 PolarHBondContact O-N 3.24Š| ||
| 88 | G | 32 | Very low | 39 | Very low | 79 Ų | 79 | 151.1 Ų | 151.1 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | -91.7 | 89.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A86 S90 | A86-G88 PolarHBondContact O-N 2.85Å; G88-S90 PolarHBondContact O-N 3.11Å | ||
| 89 | H | 38.9 | Very low | 38.4 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -83.9 | 106 | 162.6 | -72.9 | -71.1 | 0 | 0 | 0 | 110.5 | V87 | V87-H89 PolarHBondContact O-N 3.24Š| ||
| 90 | S | 35.5 | Very low | 38 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -157.6 | 107.8 | 157.7 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | G88 | G88-S90 PolarHBondContact O-N 3.11Š| ||
| 91 | K | 42 | Very low | 37.9 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 155.8 | 157.4 | -70.3 | 178.6 | 178.3 | 176.4 | 0 | 107.9 | ||||
| 92 | Y | 41.9 | Very low | 37.9 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 74 | 94.1 | -178.7 | -50.4 | -82.6 | 0 | 0 | 0 | 116.4 | ||||
| 93 | N | 37.6 | Very low | 37.8 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | -173.9 | 144.6 | 97.7 | -94 | -39.2 | 0 | 0 | 0 | 112.1 | |||||
| 94 | S | 42.1 | Very low | 37.7 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -89.7 | 161.7 | 178.8 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 95 | A | 42.6 | Very low | 37.2 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 63.2 | 100.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 96 | K | 39.3 | Very low | 36.9 | Very low | 209 Ų | 209 | 148 Ų | 148 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -156.6 | 109.1 | 142.5 | -108.9 | 161.1 | -170 | 176.3 | 0 | 109.8 | ||||
| 97 | N | 37.7 | Very low | 36.8 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -78.9 | 133.8 | 174.9 | -59.8 | -16.5 | 0 | 0 | 0 | 108.9 | ||||
| 98 | F | 38.8 | Very low | 36.5 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 77% | 0.772 | 82% | 0.816 | S | S | * | * | trans | -125.6 | 110.9 | 170.5 | -167.6 | -101.5 | 0 | 0 | 0 | 109.7 | L100 | F98-L100 HydrophobicContact CD1-CD1 4.46Å; F98-L100 HydrophobicContact CD1-CG 4.1Å; F98-L100 HydrophobicContact CE1-CD1 4.28Å; F98-L100 HydrophobicContact CE1-CD2 4.09Å; F98-L100 HydrophobicContact CE1-CG 3.78Å | ||
| 99 | T | 33.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | -91.5 | 115 | -179.5 | -6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | L | 35 | Very low | 36.3 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 71% | 0.707 | 82% | 0.818 | S | S | * | * | trans | -92.6 | 104.9 | 171 | -91.3 | 163.2 | 0 | 0 | 0 | 110.2 | F98 | F98-L100 HydrophobicContact CD1-CD1 4.46Å; F98-L100 HydrophobicContact CD1-CG 4.1Å; F98-L100 HydrophobicContact CE1-CD1 4.28Å; F98-L100 HydrophobicContact CE1-CD2 4.09Å; F98-L100 HydrophobicContact CE1-CG 3.78Å | ||
| 101 | N | 36 | Very low | 36.1 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -79.7 | 122.3 | 164.5 | -72.7 | -53.4 | 0 | 0 | 0 | 109.2 | ||||
| 102 | L | 37.4 | Very low | 35.8 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -136.1 | 125.7 | 163.5 | -96.1 | 151.1 | 0 | 0 | 0 | 107.9 | ||||
| 103 | A | 33.5 | Very low | 35.6 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -86.3 | 137.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 104 | E | 33.8 | Very low | 35.8 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -68.6 | 139.8 | 175 | -61.1 | 174 | 139.4 | 0 | 0 | 111.6 | ||||
| 105 | K | 33.5 | Very low | 35.8 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -138 | 110.6 | 147.5 | -79.3 | -161.5 | 178.5 | -172.7 | 0 | 109.2 | ||||
| 106 | L | 33.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 152.8 | 169.5 | -63.2 | 169.2 | 0 | 0 | 0 | 110 | ||||
| 107 | S | 31.5 | Very low | 35.5 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -143 | 127.2 | 160 | -69.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 108 | E | 31.9 | Very low | 35.4 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -103.6 | 131.9 | -168.8 | 169.7 | -176 | -156.8 | 0 | 0 | 108.4 | ||||
| 109 | I | 32.9 | Very low | 35.2 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -138.6 | 130.6 | 165.8 | -53.8 | -178.3 | 0 | 0 | 0 | 108.4 | ||||
| 110 | L | 33.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 154 | -177.9 | -63.8 | 158.5 | 0 | 0 | 0 | 111.6 | ||||
| 111 | S | 31 | Very low | 35.2 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -109.7 | 133.2 | 168.7 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 112 | D | 35.6 | Very low | 35.1 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | -139.1 | 147.3 | -172.1 | -151.5 | 15.9 | 0 | 0 | 0 | 111.6 | ||||
| 113 | D | 37.4 | Very low | 34.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | 56.1 | 106.9 | 165.2 | -85.7 | 2.6 | 0 | 0 | 0 | 123.6 | ||||
| 114 | D | 42.7 | Very low | 35.2 | Very low | 145 Ų | 145 | 152.1 Ų | 152.1 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | -3.9 | 143.4 | 128.6 | -66.4 | -24.2 | 0 | 0 | 0 | 120.3 | |||||
| 115 | K | 42.3 | Very low | 35.3 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | -163.9 | 160.1 | 127.8 | -107.1 | 143.6 | -159.7 | 133.8 | 0 | 115.9 | |||||
| 116 | T | 36.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -109.4 | 165 | -160.4 | 41.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 117 | D | 37 | Very low | 36.6 | Very low | 137 Ų | 137 | 150 Ų | 150 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 14.9 | 134.8 | 152.3 | -45.5 | -31.1 | 0 | 0 | 0 | 120.5 | ||||
| 118 | K | 37.4 | Very low | 37.3 | Very low | 187 Ų | 187 | 150 Ų | 150 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | 170 | 133.4 | 101.9 | -93.6 | 178.5 | -175 | 172.4 | 0 | 117.2 | |||||
| 119 | C | 33.1 | Very low | 38.3 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | 79.6 | 150.8 | 128.4 | -68.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 120 | L | 32.8 | Very low | 39.5 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 78.3 | 116.4 | 159.1 | -63 | 134.4 | 0 | 0 | 0 | 116.9 | ||||
| 121 | E | 36 | Very low | 41 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | cis | 95.1 | 147 | 32.3 | -169.2 | 172.3 | -142 | 0 | 0 | 113.5 | ||||
| 122 | N | 34.5 | Very low | 42.8 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | 85.7 | 142.7 | -173.5 | -54.5 | -53.6 | 0 | 0 | 0 | 115.4 | ||||
| 123 | S | 32.9 | Very low | 44.6 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | cis | -155.8 | 154.1 | -1.5 | 164.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 124 | Y | 39.3 | Very low | 46.3 | Very low | 209 Ų | 209 | 138.9 Ų | 138.9 | 82% | 0.82 | 71% | 0.711 | S | S | * | * | trans | -31.3 | 163.2 | 165 | -61.8 | -96.5 | 0 | 0 | 0 | 121.1 | ||||
| 125 | Q | 36.7 | Very low | 47.9 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | 101.9 | 99.8 | 149.4 | -55.8 | -162.4 | 0.8 | 0 | 0 | 118.5 | ||||
| 126 | S | 45 | Very low | 49.6 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | -178.4 | 113.7 | 106.3 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | T128 | S126-T128 PolarHBondContact O-N 3.38Š| |||
| 127 | E | 48.2 | Very low | 51.5 | Low | 203 Ų | 203 | 133 Ų | 133 | 95% | 0.949 | 68% | 0.679 | S | S | * | * | trans | -85.4 | 88.6 | 166.6 | -71 | -173.5 | 158.5 | 0 | 0 | 109.6 | ||||
| 128 | T | 45.4 | Very low | 53.4 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | trans | -143.1 | 117.1 | 164.9 | 46.6 | 0 | 0 | 0 | 0 | 110 | S126 | S126-T128 PolarHBondContact O-N 3.38Š| ||
| 129 | S | 54.8 | Low | 55.5 | Low | 46 Ų | 46 | 128.8 Ų | 128.8 | 32% | 0.322 | 66% | 0.661 | S | S | . | * | trans | 52.9 | 89.3 | 171.7 | -152.6 | 0 | 0 | 0 | 0 | 116.8 | E131 D132 | S129-E131 VanDerWaalsContact C-N 3.33Å; S129-D132 VanDerWaalsContact CB-OD2 3.26Å; S129-D132 WeakPolarHBondContact CB-OD2 3.39Å; S129-D132 VanDerWaalsContact OG-CB 3.27Å; S129-D132 WeakPolarHBondContact OG-CB 3.4Å; S129-D132 PolarHBondContact OG-N 3.45Å; S129-D132 VanDerWaalsContact OG-N 3.15Å; S129-D132 PolarHBondContact OG-OD2 3.25Å | ||
| 130 | R | 57.8 | Low | 57.6 | Low | 203 Ų | 203 | 129.7 Ų | 129.7 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -85.5 | -19.1 | 164.6 | -156.6 | 171 | -173.4 | 158.5 | 1.1 | 110.9 | I134 | R130-I134 WeakPolarHBondContact O-CD1 3.46Å; R130-I134 WeakPolarHBondContact O-CG1 3.22Å; R130-I134 PolarHBondContact O-N 3.26Å |
| 131 | E | 64.1 | Low | 59.3 | Low | 129 Ų | 129 | 128.7 Ų | 128.7 | 60% | 0.603 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.3 | -43.3 | -175.9 | -66.6 | 63.5 | -144.7 | 0 | 0 | 111.5 | S129 V133 I134 Q135 | S129-E131 VanDerWaalsContact C-N 3.33Å; E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.86Å; E131-I134 PolarHBondContact O-N 2.85Å; E131-Q135 PolarHBondContact O-N 3.26Å |
| 132 | D | 68.3 | Low | 61.2 | Low | 97 Ų | 97 | 126.1 Ų | 126.1 | 52% | 0.519 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64 | -37.4 | 176.7 | -62.6 | -31.3 | 0 | 0 | 0 | 111.2 | S129 I134 Q135 D136 | S129-D132 VanDerWaalsContact CB-OD2 3.26Å; S129-D132 WeakPolarHBondContact CB-OD2 3.39Å; S129-D132 VanDerWaalsContact OG-CB 3.27Å; S129-D132 WeakPolarHBondContact OG-CB 3.4Å; S129-D132 PolarHBondContact OG-N 3.45Å; S129-D132 VanDerWaalsContact OG-N 3.15Å; S129-D132 PolarHBondContact OG-OD2 3.25Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 3.1Å; D132-Q135 PolarHBondContact O-N 3.23Å; D132-Q135 VanDerWaalsContact O-N 3.17Å; D132-D136 PolarHBondContact O-N 2.97Å |
| 133 | V | 74.7 | Confident | 62.7 | Low | 87 Ų | 87 | 124.8 Ų | 124.8 | 53% | 0.527 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.5 | -34.6 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 112 | E131 L137 | E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.86Å; V133-L137 HydrophobicContact CG1-CD1 4.37Å; V133-L137 WeakPolarHBondContact O-CB 3.36Å; V133-L137 WeakPolarHBondContact O-CG 3.37Å; V133-L137 PolarHBondContact O-N 2.75Å |
| 134 | I | 72.9 | Confident | 64.1 | Low | 93 Ų | 93 | 123.7 Ų | 123.7 | 48% | 0.477 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.1 | -34.7 | 174.9 | -69.1 | 165.3 | 0 | 0 | 0 | 110.5 | R130 E131 D132 L138 | R130-I134 WeakPolarHBondContact O-CD1 3.46Å; R130-I134 WeakPolarHBondContact O-CG1 3.22Å; R130-I134 PolarHBondContact O-N 3.26Å; E131-I134 PolarHBondContact O-N 2.85Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 3.1Å; I134-L138 HydrophobicContact CG2-CD1 4.13Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 3.02Å; I134-L138 VanDerWaalsContact O-N 3.08Å |
| 135 | Q | 75.6 | Confident | 64.9 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 58% | 0.575 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.2 | -43.2 | 178 | -169.9 | 155.6 | -18.7 | 0 | 0 | 112 | E131 D132 L137 L138 E139 | E131-Q135 PolarHBondContact O-N 3.26Å; D132-Q135 PolarHBondContact O-N 3.23Å; D132-Q135 VanDerWaalsContact O-N 3.17Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-L137 PolarHBondContact O-N 3.22Å; Q135-L138 PolarHBondContact O-N 3.1Å; Q135-L138 VanDerWaalsContact O-N 3.16Å; Q135-E139 PolarHBondContact O-N 3.27Å |
| 136 | D | 78.3 | Confident | 65.8 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 61% | 0.61 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.9 | -42.2 | 172.8 | -79.5 | -12.3 | 0 | 0 | 0 | 111.7 | D132 L138 E139 E140 | D132-D136 PolarHBondContact O-N 2.97Å; D136-L138 VanDerWaalsContact C-N 3.33Å; D136-L138 PolarHBondContact O-N 3.37Å; D136-E139 PolarHBondContact O-N 2.76Å; D136-E140 WeakPolarHBondContact O-CB 3.44Å; D136-E140 PolarHBondContact O-N 3.5Å |
| 137 | L | 75.8 | Confident | 65.9 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.3 | -34.4 | 175 | -87.4 | 165.2 | 0 | 0 | 0 | 113.2 | V133 Q135 M141 | V133-L137 HydrophobicContact CG1-CD1 4.37Å; V133-L137 WeakPolarHBondContact O-CB 3.36Å; V133-L137 WeakPolarHBondContact O-CG 3.37Å; V133-L137 PolarHBondContact O-N 2.75Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-L137 PolarHBondContact O-N 3.22Å; L137-M141 WeakPolarHBondContact O-CB 3.45Å; L137-M141 WeakPolarHBondContact O-CG 3.33Å; L137-M141 PolarHBondContact O-N 3.12Å |
| 138 | L | 76.8 | Confident | 66 | Low | 104 Ų | 104 | 109.7 Ų | 109.7 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.6 | -39.1 | 174.9 | -79.4 | 166.2 | 0 | 0 | 0 | 111.8 | I134 Q135 D136 M141 V142 | I134-L138 HydrophobicContact CG2-CD1 4.13Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 3.02Å; I134-L138 VanDerWaalsContact O-N 3.08Å; Q135-L138 PolarHBondContact O-N 3.1Å; Q135-L138 VanDerWaalsContact O-N 3.16Å; D136-L138 VanDerWaalsContact C-N 3.33Å; D136-L138 PolarHBondContact O-N 3.37Å; L138-M141 PolarHBondContact O-N 3.01Å; L138-V142 WeakPolarHBondContact O-CG2 3.44Å; L138-V142 PolarHBondContact O-N 3.26Å |
| 139 | E | 81.5 | Confident | 66.3 | Low | 131 Ų | 131 | 112.5 Ų | 112.5 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64 | -42.1 | 174.8 | -154 | 99.1 | -151 | 0 | 0 | 110.6 | Q135 D136 V142 Q143 | Q135-E139 PolarHBondContact O-N 3.27Å; D136-E139 PolarHBondContact O-N 2.76Å; E139-V142 PolarHBondContact O-N 3.04Å; E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.37Å |
| 140 | E | 78.7 | Confident | 66 | Low | 123 Ų | 123 | 118.3 Ų | 118.3 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -41.3 | 174.5 | -171.6 | 178.3 | -177.2 | 0 | 0 | 112.4 | D136 Q143 T144 | D136-E140 WeakPolarHBondContact O-CB 3.44Å; D136-E140 PolarHBondContact O-N 3.5Å; E140-Q143 PolarHBondContact O-N 3.06Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 WeakPolarHBondContact O-CG2 3.48Å; E140-T144 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-OG1 3.08Å |
| 141 | M | 67.8 | Low | 65.2 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 61% | 0.606 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.1 | -36.5 | 174.2 | -80.6 | -172.2 | 63.2 | 0 | 0 | 113.1 | L137 L138 T144 V145 | L137-M141 WeakPolarHBondContact O-CB 3.45Å; L137-M141 WeakPolarHBondContact O-CG 3.33Å; L137-M141 PolarHBondContact O-N 3.12Å; L138-M141 PolarHBondContact O-N 3.01Å; M141-T144 WeakPolarHBondContact CA-OG1 3.41Å; M141-T144 PolarHBondContact O-OG1 3.16Å; M141-V145 WeakPolarHBondContact O-CG2 3.21Å; M141-V145 PolarHBondContact O-N 2.97Å |
| 142 | V | 76.6 | Confident | 64.1 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.9 | -39.8 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L138 E139 | L138-V142 WeakPolarHBondContact O-CG2 3.44Å; L138-V142 PolarHBondContact O-N 3.26Å; E139-V142 PolarHBondContact O-N 3.04Å |
| 143 | Q | 66.3 | Low | 63.1 | Low | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -40.9 | 178.2 | -170.3 | 58.6 | 54.2 | 0 | 0 | 112.2 | E139 E140 V145 A146 | E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.37Å; E140-Q143 PolarHBondContact O-N 3.06Å; Q143-V145 VanDerWaalsContact C-N 3.31Å; Q143-V145 PolarHBondContact O-N 3.34Å; Q143-A146 WeakPolarHBondContact O-CB 3.46Å; Q143-A146 PolarHBondContact O-N 3.49Å; Q143-A146 VanDerWaalsContact O-N 3.16Å |
| 144 | T | 61.1 | Low | 61.3 | Low | 79 Ų | 79 | 117.1 Ų | 117.1 | 49% | 0.485 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69 | -23.7 | 179.8 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | E140 M141 V148 | E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 WeakPolarHBondContact O-CG2 3.48Å; E140-T144 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-OG1 3.08Å; M141-T144 WeakPolarHBondContact CA-OG1 3.41Å; M141-T144 PolarHBondContact O-OG1 3.16Å; T144-V148 WeakPolarHBondContact O-CG2 3.39Å |
| 145 | V | 57.1 | Low | 59.6 | Low | 117 Ų | 117 | 117.2 Ų | 117.2 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.9 | -23.5 | 172.9 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | M141 Q143 | M141-V145 WeakPolarHBondContact O-CG2 3.21Å; M141-V145 PolarHBondContact O-N 2.97Å; Q143-V145 VanDerWaalsContact C-N 3.31Å; Q143-V145 PolarHBondContact O-N 3.34Å |
| 146 | A | 54.8 | Low | 57.5 | Low | 74 Ų | 74 | 116.3 Ų | 116.3 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.4 | -22.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q143 | Q143-A146 WeakPolarHBondContact O-CB 3.46Å; Q143-A146 PolarHBondContact O-N 3.49Å; Q143-A146 VanDerWaalsContact O-N 3.16Å |
| 147 | D | 48.2 | Very low | 55.6 | Low | 126 Ų | 126 | 115.5 Ų | 115.5 | 67% | 0.674 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 5.2 | -171.5 | -70.2 | -38.5 | 0 | 0 | 0 | 114.5 | D149 | D147-D149 PolarHBondContact O-N 3.29Š|
| 148 | V | 50.1 | Low | 53.7 | Low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | trans | -93.5 | 72.8 | -176 | -171.2 | 0 | 0 | 0 | 0 | 112.7 | T144 Q150 | T144-V148 WeakPolarHBondContact O-CG2 3.39Å; V148-Q150 HydrophobicContact CG1-CB 3.72Å; V148-Q150 PolarHBondContact O-N 3.14Å | ||
| 149 | D | 50.8 | Low | 51.7 | Low | 180 Ų | 180 | 118 Ų | 118 | 96% | 0.963 | 67% | 0.667 | S | S | * | * | trans | -74.5 | 72.3 | 161 | -95.6 | -25.9 | 0 | 0 | 0 | 110.2 | D147 | D147-D149 PolarHBondContact O-N 3.29Š| ||
| 150 | Q | 49.6 | Very low | 49.5 | Very low | 168 Ų | 168 | 115.4 Ų | 115.4 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -114.5 | 125.6 | 178.6 | -160.2 | 163.7 | 81.5 | 0 | 0 | 112.1 | V148 | V148-Q150 HydrophobicContact CG1-CB 3.72Å; V148-Q150 PolarHBondContact O-N 3.14Å | ||
| 151 | A | 39.8 | Very low | 47.3 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 72% | 0.719 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I153 | A151-I153 PolarHBondContact O-N 3.35Š|
| 152 | P | 41.5 | Very low | 46.1 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.2 | -173.7 | 25.6 | -34.6 | 0 | 0 | 0 | 112.6 | L154 | P152-L154 PolarHBondContact O-N 2.94Š|
| 153 | I | 47.1 | Very low | 44.4 | Very low | 109 Ų | 109 | 116.3 Ų | 116.3 | 56% | 0.559 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.6 | 173.8 | -60.7 | 175.1 | 0 | 0 | 0 | 108.9 | A151 L155 | A151-I153 PolarHBondContact O-N 3.35Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L155 HydrophobicContact CG2-CG 4.3Å; I153-L155 PolarHBondContact O-N 3.48Å |
| 154 | L | 35.9 | Very low | 42.8 | Very low | 172 Ų | 172 | 116.8 Ų | 116.8 | 90% | 0.901 | 70% | 0.7 | S | S | * | * | trans | -74.6 | 88.4 | 176.9 | -105.6 | 160.9 | 0 | 0 | 0 | 110.9 | P152 | P152-L154 PolarHBondContact O-N 2.94Š| ||
| 155 | L | 37.8 | Very low | 41.8 | Very low | 95 Ų | 95 | 118 Ų | 118 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | trans | -81.6 | 125.2 | 167.9 | -64.1 | 175.4 | 0 | 0 | 0 | 109.7 | L32 I153 | L32-L155 HydrophobicContact CD2-CD1 3.84Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L155 HydrophobicContact CG2-CG 4.3Å; I153-L155 PolarHBondContact O-N 3.48Å | ||
| 156 | S | 31.7 | Very low | 40.7 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -109 | 94.4 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 157 | T | 39.3 | Very low | 39.8 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 60% | 0.595 | 73% | 0.73 | S | S | * | * | trans | -87.2 | 126.8 | 174.9 | -0.3 | 0 | 0 | 0 | 0 | 110.3 | I10 | I10-T157 HydrophobicContact CG2-CG2 4.33Š| ||
| 158 | T | 35.7 | Very low | 39.2 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | -113.5 | 117.2 | 173.4 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | A160 | T158-A160 PolarHBondContact O-N 3.28Š| ||
| 159 | L | 34.2 | Very low | 38.5 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -83.2 | 111 | 176.8 | -97.3 | 162.9 | 0 | 0 | 0 | 110.6 | ||||
| 160 | A | 34.6 | Very low | 38.2 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | trans | -97.1 | 94.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T158 I162 | T158-A160 PolarHBondContact O-N 3.28Å; A160-I162 PolarHBondContact O-N 3.44Å | ||
| 161 | N | 34.3 | Very low | 37.5 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -80.1 | 104.1 | 168 | -93.8 | -13.6 | 0 | 0 | 0 | 109.9 | G163 | N161-G163 PolarHBondContact O-N 3.44Š| ||
| 162 | I | 41.1 | Very low | 37.3 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 108.4 | 169 | -59.7 | 174.2 | 0 | 0 | 0 | 107.4 | A160 | A160-I162 PolarHBondContact O-N 3.44Š|
| 163 | G | 40.6 | Very low | 37.5 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161.4 | 0.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 119 | N161 | N161-G163 PolarHBondContact O-N 3.44Š|
| 164 | V | 33.5 | Very low | 36.8 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -133.1 | 114.2 | 176.7 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 165 | P | 39.6 | Very low | 36.7 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | -71.8 | 130.8 | 171.8 | 29.6 | -32.5 | 0 | 0 | 0 | 110.2 | F167 | P165-F167 PolarHBondContact O-N 3.1Š| ||
| 166 | R | 34.6 | Very low | 36.7 | Very low | 240 Ų | 240 | 130.8 Ų | 130.8 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | trans | -84.6 | 109.3 | 175.5 | -68.8 | -175.5 | 177.9 | -165.6 | 0.1 | 110.5 | ||||
| 167 | F | 35.5 | Very low | 37.3 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | -135.5 | 130.9 | 159 | -72.9 | -71.9 | 0 | 0 | 0 | 111.2 | P165 | P165-F167 PolarHBondContact O-N 3.1Š| ||
| 168 | S | 35.2 | Very low | 37.5 | Very low | 129 Ų | 129 | 137 Ų | 137 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -85.9 | 132.6 | 170 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 169 | T | 36.1 | Very low | 38 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -102.2 | 162.9 | -176.6 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 170 | P | 44.3 | Very low | 38.3 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -129.8 | 131.2 | 87 | 13.2 | 8.6 | 0 | 0 | 0 | 113.3 | |||||
| 171 | I | 34.5 | Very low | 38.6 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | 66.6 | 120.1 | 88.9 | -65.4 | 173.4 | 0 | 0 | 0 | 111.6 | |||||
| 172 | K | 36.5 | Very low | 38.8 | Very low | 185 Ų | 185 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -170.2 | -176.4 | 39.9 | -132.1 | 158.7 | -170.8 | 179.9 | 0 | 109.3 | ||||
| 173 | P | 46.3 | Very low | 38.6 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | -123 | 169.6 | -55.5 | 26.7 | -7.4 | 0 | 0 | 0 | 114.2 | |||||
| 174 | Q | 31.7 | Very low | 38.5 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -159.8 | 129.6 | 127 | -112.5 | -175.3 | 44.2 | 0 | 0 | 114 | |||||
| 175 | N | 34.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 154.8 Ų | 154.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 44.3 | 111.5 | 145.9 | -57.4 | -6.4 | 0 | 0 | 0 | 122.1 | ||||
| 176 | G | 36.8 | Very low | 38.7 | Very low | 72 Ų | 72 | 156.4 Ų | 156.4 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | 104.3 | 95.4 | 118.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 177 | L | 43.8 | Very low | 39.1 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | 171 | 146.1 | 108.4 | -91.4 | 162.8 | 0 | 0 | 0 | 112.1 | |||||
| 178 | D | 45.3 | Very low | 39.6 | Very low | 157 Ų | 157 | 156.4 Ų | 156.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -68.5 | 129.9 | -174.9 | -63.8 | -74.4 | 0 | 0 | 0 | 114.4 | ||||
| 179 | R | 44.7 | Very low | 39.8 | Very low | 248 Ų | 248 | 158.7 Ų | 158.7 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -142.2 | 106.9 | 149.3 | -92.1 | -174.5 | 178.2 | 178.7 | -0.9 | 111.3 | F181 | R179-F181 PolarHBondContact O-N 3.41Š| ||
| 180 | K | 41.5 | Very low | 40 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 124.9 | 162.9 | -84.2 | -179.2 | 172.6 | 177.4 | 0 | 109.2 | ||||
| 181 | F | 41.1 | Very low | 40.1 | Very low | 171 Ų | 171 | 161.9 Ų | 161.9 | 75% | 0.75 | 82% | 0.815 | S | S | * | * | trans | -125.2 | 107.1 | 162.1 | -173.1 | -102.2 | 0 | 0 | 0 | 108.9 | R179 M183 | R179-F181 PolarHBondContact O-N 3.41Å; F181-M183 HydrophobicContact CD1-CB 4.31Å; F181-M183 HydrophobicContact CE1-CB 3.76Å; F181-M183 HydrophobicContact CE1-CG 3.97Å; F181-M183 HydrophobicContact CE1-SD 3.95Å; F181-M183 HydrophobicContact CZ-CG 4.38Å; F181-M183 HydrophobicContact CZ-SD 4.46Å | ||
| 182 | T | 38.8 | Very low | 40.4 | Very low | 122 Ų | 122 | 162.9 Ų | 162.9 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -97 | 113.1 | 173.7 | 39.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 183 | M | 35.7 | Very low | 40.6 | Very low | 131 Ų | 131 | 162 Ų | 162 | 65% | 0.645 | 83% | 0.825 | S | S | * | * | trans | -104.7 | 103.1 | 174.1 | -152.2 | 174.1 | 82 | 0 | 0 | 109.4 | F181 M185 | F181-M183 HydrophobicContact CD1-CB 4.31Å; F181-M183 HydrophobicContact CE1-CB 3.76Å; F181-M183 HydrophobicContact CE1-CG 3.97Å; F181-M183 HydrophobicContact CE1-SD 3.95Å; F181-M183 HydrophobicContact CZ-CG 4.38Å; F181-M183 HydrophobicContact CZ-SD 4.46Å; M183-M185 HydrophobicContact CE-CG 3.92Å; M183-M185 HydrophobicContact CE-SD 4.02Å; M183-M185 PolarHBondContact O-N 2.89Å | ||
| 184 | N | 38.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 162.1 Ų | 162.1 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -76.3 | 119.7 | 170.7 | -77.5 | -17.6 | 0 | 0 | 0 | 108.9 | ||||
| 185 | M | 41.3 | Very low | 41 | Very low | 156 Ų | 156 | 161.9 Ų | 161.9 | 77% | 0.768 | 83% | 0.832 | S | S | * | * | trans | -109 | 112.8 | 168.1 | -71.9 | -77.4 | -78.2 | 0 | 0 | 107.8 | M183 | M183-M185 HydrophobicContact CE-CG 3.92Å; M183-M185 HydrophobicContact CE-SD 4.02Å; M183-M185 PolarHBondContact O-N 2.89Å | ||
| 186 | T | 37 | Very low | 41.3 | Very low | 139 Ų | 139 | 164.3 Ų | 164.3 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -77.2 | 136.2 | 172.1 | 40.4 | 0 | 0 | 0 | 0 | 110.6 | R188 | T186-R188 PolarHBondContact O-N 3.31Š| ||
| 187 | E | 42.1 | Very low | 41.5 | Very low | 185 Ų | 185 | 169.8 Ų | 169.8 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -58.3 | 131.3 | 179.7 | -59.9 | 168.5 | 135.8 | 0 | 0 | 112.5 | ||||
| 188 | R | 46.6 | Very low | 41.1 | Very low | 245 Ų | 245 | 164.9 Ų | 164.9 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | 175.9 | 107.9 | 135.9 | -98.5 | 164.8 | -174.9 | -169.3 | 0.8 | 109.5 | T186 | T186-R188 PolarHBondContact O-N 3.31Š| ||
| 189 | I | 38.7 | Very low | 40.9 | Very low | 177 Ų | 177 | 167.1 Ų | 167.1 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | -128.7 | 139.8 | 158.9 | -49.9 | -179.7 | 0 | 0 | 0 | 106.5 | ||||
| 190 | S | 39.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 162.9 Ų | 162.9 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -66 | 156.6 | -160.7 | -49.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 191 | E | 46.7 | Very low | 41 | Very low | 195 Ų | 195 | 159.8 Ų | 159.8 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -54 | 136.1 | 159.3 | -63.5 | 156.6 | 158.8 | 0 | 0 | 110.6 | ||||
| 192 | I | 41.7 | Very low | 40.8 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -134.8 | 123.6 | 165.7 | -60.1 | 179.8 | 0 | 0 | 0 | 106.5 | S194 | I192-S194 PolarHBondContact O-N 3.48Š| ||
| 193 | D | 39.3 | Very low | 40.8 | Very low | 167 Ų | 167 | 161.6 Ų | 161.6 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -59.5 | 117.4 | -180 | -86.4 | -47.4 | 0 | 0 | 0 | 111.9 | N195 | D193-N195 PolarHBondContact O-N 2.85Š| ||
| 194 | S | 40.1 | Very low | 40.8 | Very low | 110 Ų | 110 | 162.7 Ų | 162.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -94.7 | 72 | 177.2 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | I192 Y196 | I192-S194 PolarHBondContact O-N 3.48Å; S194-Y196 PolarHBondContact O-N 3.14Å | ||
| 195 | N | 48.2 | Very low | 40.7 | Very low | 170 Ų | 170 | 159.8 Ų | 159.8 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 63.9 | 164.9 | -156.5 | 4.6 | 0 | 0 | 0 | 110.2 | D193 | D193-N195 PolarHBondContact O-N 2.85Š| ||
| 196 | Y | 39.3 | Very low | 40.6 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -120 | 110.9 | 178.1 | -156.1 | -94.5 | 0 | 0 | 0 | 109.6 | S194 G198 | S194-Y196 PolarHBondContact O-N 3.14Å; Y196-G198 PolarHBondContact O-N 3.17Å; Y196-G198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | Q | 41 | Very low | 40.9 | Very low | 187 Ų | 187 | 158.2 Ų | 158.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 107 | -172.4 | -145.2 | 162.1 | 11.5 | 0 | 0 | 109.4 | ||||
| 198 | G | 35.8 | Very low | 40.6 | Very low | 73 Ų | 73 | 157.3 Ų | 157.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -65.4 | 148.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y196 | Y196-G198 PolarHBondContact O-N 3.17Å; Y196-G198 VanDerWaalsContact O-N 3.16Å | ||
| 199 | Y | 41.9 | Very low | 39.9 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -114.2 | 127 | 159.6 | 58.8 | -85.4 | 0 | 0 | 0 | 108 | ||||
| 200 | E | 42.9 | Very low | 39.7 | Very low | 159 Ų | 159 | 149 Ų | 149 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 140.3 | -177.2 | -67 | 174.1 | 143.4 | 0 | 0 | 110.7 | F202 | E200-F202 HydrophobicContact CB-CD2 4.38Å; E200-F202 HydrophobicContact CB-CE2 3.96Å | ||
| 201 | L | 44.1 | Very low | 39.3 | Very low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -89.4 | 105.2 | 173.7 | -161.6 | 87.3 | 0 | 0 | 0 | 108 | E203 | L201-E203 PolarHBondContact O-N 2.94Š| ||
| 202 | F | 36.5 | Very low | 38.7 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -84.3 | 110.9 | 172 | -76.5 | -88.8 | 0 | 0 | 0 | 109.9 | E200 | E200-F202 HydrophobicContact CB-CD2 4.38Å; E200-F202 HydrophobicContact CB-CE2 3.96Å | ||
| 203 | E | 39 | Very low | 38.4 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -89.3 | 91.7 | 165.2 | -70.9 | -169.5 | 159.1 | 0 | 0 | 109.6 | L201 S205 | L201-E203 PolarHBondContact O-N 2.94Å; E203-S205 PolarHBondContact O-N 3.3Å | ||
| 204 | D | 36 | Very low | 38.8 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -81.7 | 93.6 | 170.1 | -83.2 | -28.9 | 0 | 0 | 0 | 110.5 | ||||
| 205 | S | 37.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -94.8 | 92.8 | 168.7 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | E203 N207 | E203-S205 PolarHBondContact O-N 3.3Å; S205-N207 PolarHBondContact O-N 2.98Å | ||
| 206 | S | 38.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 96.2 | 174.3 | 65.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 207 | N | 43.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -113.7 | 111.2 | 160.7 | -88.7 | -39.8 | 0 | 0 | 0 | 109.2 | S205 C209 | S205-N207 PolarHBondContact O-N 2.98Å; N207-C209 PolarHBondContact O-N 3.05Å | ||
| 208 | D | 34.7 | Very low | 37 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 119.7 | 175.2 | -71.8 | -48.8 | 0 | 0 | 0 | 111.4 | ||||
| 209 | C | 32.5 | Very low | 37.1 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -155.7 | 91.5 | 153.9 | -159.2 | 0 | 0 | 0 | 0 | 113.5 | N207 | N207-C209 PolarHBondContact O-N 3.05Š| ||
| 210 | T | 33.5 | Very low | 36.9 | Very low | 127 Ų | 127 | 143 Ų | 143 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 18.2 | 98.6 | 143.3 | -45.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 211 | T | 32.1 | Very low | 36.6 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | 37.4 | 113.6 | 126.2 | -24.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 212 | L | 34.1 | Very low | 36.3 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -143.3 | 124 | 134.3 | -79.6 | -174.9 | 0 | 0 | 0 | 110.7 | ||||
| 213 | I | 36.1 | Very low | 36.2 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 140.1 | 169.9 | -64 | 163.3 | 0 | 0 | 0 | 107.2 | ||||
| 214 | P | 48 | Very low | 36.1 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | -148.2 | 131.5 | 113.6 | 34.4 | -16 | 0 | 0 | 0 | 117.1 | |||||
| 215 | N | 31.5 | Very low | 35.9 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | 82.2 | 145.4 | 133.8 | -108.3 | -2.1 | 0 | 0 | 0 | 124.4 | ||||
| 216 | C | 31.5 | Very low | 35.8 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | trans | 70 | 145.8 | 158.1 | -59.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 217 | Q | 31.7 | Very low | 35.8 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | cis | -160.7 | 160.6 | -21.8 | -177.4 | 165.6 | -4.6 | 0 | 0 | 108.3 | ||||
| 218 | E | 35.9 | Very low | 36.2 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -31.6 | 141.7 | 174.1 | -53.1 | 144.1 | 137.4 | 0 | 0 | 117.2 | ||||
| 219 | V | 37.3 | Very low | 36.5 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | -150.4 | 135.5 | 125 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 220 | E | 37.1 | Very low | 36.7 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -79.3 | 154 | 176.5 | -52.1 | 167.9 | 120.5 | 0 | 0 | 112.8 | ||||
| 221 | S | 37 | Very low | 36.9 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -161.5 | 121.2 | 136.2 | 36.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 222 | S | 37.1 | Very low | 37.1 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -89.9 | 150.5 | 174 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 223 | F | 35.6 | Very low | 37.1 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -152.5 | 142.2 | 141.6 | -110.5 | -75.4 | 0 | 0 | 0 | 111.2 | ||||
| 224 | Y | 36.4 | Very low | 37.3 | Very low | 213 Ų | 213 | 145 Ų | 145 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -111.1 | 166.5 | -168.5 | -110.9 | -86.7 | 0 | 0 | 0 | 112.1 | ||||
| 225 | R | 32.9 | Very low | 36.8 | Very low | 239 Ų | 239 | 146 Ų | 146 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | 83.7 | 150.6 | 164.3 | -61 | -174.6 | -178.9 | 176.6 | 0.6 | 117.6 | ||||
| 226 | A | 34 | Very low | 37.8 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -169.4 | 155.4 | -24.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 227 | L | 39.8 | Very low | 37.9 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -66.4 | 164 | 164.8 | -69.8 | 161.1 | 0 | 0 | 0 | 111 | ||||
| 228 | P | 52.3 | Low | 38.1 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | -139.4 | 162 | 93.7 | 37 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 229 | E | 41 | Very low | 38.3 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -78.8 | 156.8 | 174 | -55.1 | 160.9 | 119.2 | 0 | 0 | 112.5 | ||||
| 230 | A | 35.5 | Very low | 38.1 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -157 | 152.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 231 | A | 37.7 | Very low | 38.4 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -120.3 | -171.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 232 | S | 35.7 | Very low | 38.5 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | 80.7 | 152.3 | 178.4 | 80.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 233 | S | 34.3 | Very low | 38.4 | Very low | 116 Ų | 116 | 155.7 Ų | 155.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | cis | -150.6 | 170.1 | 15.9 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 234 | I | 40.8 | Very low | 38.1 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -97.2 | 139.6 | -175.9 | -65.3 | 157.5 | 0 | 0 | 0 | 111.9 | ||||
| 235 | V | 38.6 | Very low | 38 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 136.7 | 146.6 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 236 | P | 50.9 | Low | 38.1 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -95.7 | 161.6 | 173.2 | 37.6 | -34.1 | 0 | 0 | 0 | 113.4 | ||||
| 237 | Y | 33.8 | Very low | 38.2 | Very low | 236 Ų | 236 | 152.4 Ų | 152.4 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -123.8 | 141.5 | 172.4 | -151.6 | -92.2 | 0 | 0 | 0 | 111.8 | ||||
| 238 | Q | 36.7 | Very low | 37.9 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -108.1 | 141.9 | -173.8 | -83 | -162.6 | -22.1 | 0 | 0 | 114.6 | ||||
| 239 | E | 39.9 | Very low | 36.9 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 65% | 0.654 | 81% | 0.808 | S | S | * | * | trans | 20.8 | 127 | 137.1 | -159.4 | 167.3 | 179.9 | 0 | 0 | 120.9 | K241 | E239-K241 WeakPolarHBondContact OE1-CE 3.44Å; E239-K241 IonicContact OE1-NZ 2.7Å; E239-K241 PolarHBondContact OE1-NZ 3.11Å | ||
| 240 | G | 32.2 | Very low | 36.5 | Very low | 82 Ų | 82 | 150 Ų | 150 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 98.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 241 | K | 45.1 | Very low | 36.3 | Very low | 163 Ų | 163 | 152 Ų | 152 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | -95.3 | 145.3 | 164.8 | -71.7 | 168.7 | 174.3 | 131.4 | 0 | 109.9 | E239 | E239-K241 WeakPolarHBondContact OE1-CE 3.44Å; E239-K241 IonicContact OE1-NZ 2.7Å; E239-K241 PolarHBondContact OE1-NZ 3.11Å | ||
| 242 | R | 37.4 | Very low | 36 | Very low | 210 Ų | 210 | 152.4 Ų | 152.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -178.1 | 135.9 | 139.9 | -103.5 | 155.6 | -171.2 | -165.2 | 3.8 | 115.9 | ||||
| 243 | R | 36.1 | Very low | 35.8 | Very low | 206 Ų | 206 | 151.4 Ų | 151.4 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 65.5 | 129.9 | 145.9 | -62.8 | 163.6 | -175.7 | -175.6 | -1.7 | 117.5 | ||||
| 244 | S | 29.6 | Very low | 35.7 | Very low | 102 Ų | 102 | 154.2 Ų | 154.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | cis | 96.6 | 113.4 | 29.2 | -170.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 245 | S | 34.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 60.4 | 123.5 | 143.4 | 63.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 246 | R | 34.9 | Very low | 35.3 | Very low | 251 Ų | 251 | 158.7 Ų | 158.7 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | -158.2 | 135.3 | 121.2 | -108.2 | 167.8 | -162.2 | -171.6 | 3.9 | 112.5 | |||||
| 247 | R | 35.4 | Very low | 34.4 | Very low | 234 Ų | 234 | 159.5 Ų | 159.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -82.7 | 150.3 | 161 | -70.1 | 171.5 | 161.7 | 174.9 | -8 | 108.7 | ||||
| 248 | L | 32.9 | Very low | 34.4 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | -144.1 | 149.3 | 142.4 | -83 | -175 | 0 | 0 | 0 | 109.8 | ||||
| 249 | S | 31.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -139.9 | 130.1 | -171.2 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 250 | T | 33.2 | Very low | 34.1 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -167.3 | 154.8 | 167.9 | 39.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 251 | L | 32.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 160.5 Ų | 160.5 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | cis | -153.9 | 166.8 | -9.8 | -113.9 | 164.1 | 0 | 0 | 0 | 109.4 | ||||
| 252 | S | 31 | Very low | 34.1 | Very low | 104 Ų | 104 | 158.8 Ų | 158.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 7.2 | 154.5 | 145.1 | -63 | 0 | 0 | 0 | 0 | 122 | ||||
| 253 | S | 30.1 | Very low | 34 | Very low | 101 Ų | 101 | 155.5 Ų | 155.5 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | cis | 154.3 | 129.5 | -4.9 | 163.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 254 | L | 33.6 | Very low | 33.9 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -165.8 | 129.5 | 143.3 | -109.1 | 159.9 | 0 | 0 | 0 | 109.8 | ||||
| 255 | K | 35.4 | Very low | 34.3 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -105.8 | 140.7 | 174.5 | -66.4 | 177.7 | 177.2 | -179.9 | 0 | 108.1 | ||||
| 256 | E | 34.5 | Very low | 34.4 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -140.2 | 134.2 | 159.1 | -161.6 | 161.2 | -147.7 | 0 | 0 | 109.6 | ||||
| 257 | T | 33.4 | Very low | 34.3 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -121.1 | 126.3 | -169.9 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 258 | V | 32.1 | Very low | 34.3 | Very low | 133 Ų | 133 | 147 Ų | 147 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -126.8 | 138.9 | 167.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 259 | K | 33.1 | Very low | 34.4 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -124.1 | 122.5 | -165.8 | -178.4 | -170.8 | -175.4 | -172.5 | 0 | 108.8 | ||||
| 260 | I | 37.4 | Very low | 34.6 | Very low | 156 Ų | 156 | 154.5 Ų | 154.5 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -137.4 | 133.5 | 174.6 | -57.5 | -177.7 | 0 | 0 | 0 | 109.7 | ||||
| 261 | E | 36.9 | Very low | 34.7 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 148.2 | 179.1 | -60.6 | 176.3 | 140.9 | 0 | 0 | 112.1 | ||
| 262 | P | 40.2 | Very low | 34.8 | Very low | 127 Ų | 127 | 163.8 Ų | 163.8 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 134.8 | 172.1 | 33.3 | -31.8 | 0 | 0 | 0 | 112.2 | ||
| 263 | T | 35.6 | Very low | 34.9 | Very low | 142 Ų | 142 | 166.3 Ų | 166.3 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 162.3 | 177.4 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 264 | V | 34.4 | Very low | 35 | Very low | 130 Ų | 130 | 168 Ų | 168 | 79% | 0.788 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 132.7 | -160.3 | 178.8 | 0 | 0 | 0 | 0 | 114 | ||
| 265 | S | 37.4 | Very low | 35 | Very low | 112 Ų | 112 | 164.8 Ų | 164.8 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -160.9 | 122.1 | 148.7 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 266 | K | 37.7 | Very low | 34.9 | Very low | 181 Ų | 181 | 163.1 Ų | 163.1 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | 85.4 | 103.7 | 58.6 | -78.6 | -171.3 | -179.9 | 175.8 | 0 | 115.2 | |||||
| 267 | L | 32.6 | Very low | 34.9 | Very low | 152 Ų | 152 | 162.9 Ų | 162.9 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | 53.2 | 133.2 | 148.3 | -87.1 | 74 | 0 | 0 | 0 | 118.9 | ||||
| 268 | T | 36.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 162.5 Ų | 162.5 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | -157.2 | 147 | 78.1 | 24.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 269 | K | 34.7 | Very low | 34.8 | Very low | 196 Ų | 196 | 161.3 Ų | 161.3 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -78 | 146.3 | 177.1 | -72.6 | 169 | 171.8 | 169.5 | 0 | 111.9 | ||||
| 270 | R | 35.4 | Very low | 34.9 | Very low | 250 Ų | 250 | 160.3 Ų | 160.3 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -140.6 | 110.8 | 145.6 | -143.5 | 172.7 | -170.8 | 177.8 | 3.1 | 112.1 | ||||
| 271 | R | 33.9 | Very low | 34.9 | Very low | 221 Ų | 221 | 161.6 Ų | 161.6 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | -63.9 | 148 | 169.7 | -81.6 | 172.7 | 160 | 162.9 | -9.1 | 110.6 | ||||
| 272 | R | 35.7 | Very low | 34.8 | Very low | 253 Ų | 253 | 160.3 Ų | 160.3 | 96% | 0.955 | 84% | 0.837 | S | S | * | * | trans | -137.2 | 156.3 | 134.2 | -96.2 | -172.2 | 174.2 | 169.6 | -2.3 | 110.2 | ||||
| 273 | L | 33 | Very low | 34.5 | Very low | 157 Ų | 157 | 162.8 Ų | 162.8 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -103.9 | 161.7 | -160.8 | -74.1 | 155.9 | 0 | 0 | 0 | 112.4 | ||||
| 274 | T | 32.8 | Very low | 34.7 | Very low | 138 Ų | 138 | 161.4 Ų | 161.4 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -75 | 160.2 | 170.2 | 42.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 275 | S | 32.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 161 Ų | 161 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -142.6 | 104.8 | 165.6 | -171.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 276 | I | 33.4 | Very low | 35.7 | Very low | 157 Ų | 157 | 162.9 Ų | 162.9 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | 76.4 | 126.4 | 96.2 | -67.4 | 167.7 | 0 | 0 | 0 | 112.7 | |||||
| 277 | E | 34.2 | Very low | 35.7 | Very low | 187 Ų | 187 | 160.2 Ų | 160.2 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -72.8 | 156.3 | -178.5 | -59.9 | 154.8 | 125.6 | 0 | 0 | 112.6 | ||||
| 278 | S | 30.1 | Very low | 36.1 | Very low | 121 Ų | 121 | 161.1 Ų | 161.1 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -145.2 | 122.2 | 152.3 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 279 | S | 35 | Very low | 37.5 | Very low | 108 Ų | 108 | 159.6 Ų | 159.6 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -89.3 | 158 | 171.4 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 280 | N | 35 | Very low | 37.5 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -153.5 | 127.1 | 153.7 | -91.2 | -39.4 | 0 | 0 | 0 | 109.9 | ||||
| 281 | E | 36.9 | Very low | 38.6 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -81.7 | 156.7 | 169.9 | -59.9 | 166.4 | 100.5 | 0 | 0 | 110.6 | ||||
| 282 | T | 34.5 | Very low | 39 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -157.6 | 104.9 | 143.2 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 283 | M | 33.2 | Very low | 38.9 | Very low | 179 Ų | 179 | 141 Ų | 141 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | 32.4 | 144.7 | 143.9 | -54 | -147.1 | 77 | 0 | 0 | 125 | ||||
| 284 | V | 41.5 | Very low | 39.5 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -109.4 | 155.4 | 170.3 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 285 | P | 51.1 | Low | 39.7 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -136.6 | 126.4 | 125 | 34.6 | -22.7 | 0 | 0 | 0 | 111.6 | |||||
| 286 | H | 40 | Very low | 39.8 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 62.5 | 109.7 | 70 | -107 | -59.7 | 0 | 0 | 0 | 116.6 | |||||
| 287 | S | 38.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -159.3 | 154.7 | 145.4 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 288 | E | 40.1 | Very low | 39.9 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -115.4 | 177 | -159.2 | -85.7 | -171 | 150.2 | 0 | 0 | 115.6 | ||||
| 289 | P | 65.9 | Low | 40.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | -119.9 | -152.4 | -161.2 | 39 | -22.2 | 0 | 0 | 0 | 115.7 | ||||
| 290 | I | 36 | Very low | 40.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 87.4 | 154.3 | 171.6 | -49.9 | 163.5 | 0 | 0 | 0 | 113.5 | ||||
| 291 | P | 56.7 | Low | 40.9 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | cis | -114.1 | 159.9 | -5.4 | 11.5 | 14.8 | 0 | 0 | 0 | 114.5 | ||||
| 292 | L | 43 | Very low | 41.8 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | 96.6 | 150.5 | 55.3 | -108 | 171.2 | 0 | 0 | 0 | 115.7 | |||||
| 293 | D | 34.5 | Very low | 41.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | trans | 72.7 | 156.9 | 168.7 | -61.6 | -34.4 | 0 | 0 | 0 | 120.8 | ||||
| 294 | K | 45 | Very low | 42 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | -174.9 | 170.3 | -47.1 | -117.4 | -179.1 | -173.1 | 169.9 | 0 | 109.5 | ||||
| 295 | D | 36.6 | Very low | 41.9 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | 67 | 151.6 | 170 | -46.7 | -29.2 | 0 | 0 | 0 | 116.4 | ||||
| 296 | G | 35.3 | Very low | 41.3 | Very low | 60 Ų | 60 | 143.8 Ų | 143.8 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | cis | 160.8 | 136.1 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 297 | F | 33.9 | Very low | 41.1 | Very low | 216 Ų | 216 | 139.1 Ų | 139.1 | 95% | 0.947 | 74% | 0.736 | S | S | * | * | trans | 64.5 | 161.5 | 172 | -66.4 | -83 | 0 | 0 | 0 | 116.2 | ||||
| 298 | S | 34.2 | Very low | 40.9 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | cis | -165.3 | 163.7 | -11.4 | 166.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 299 | Y | 40.6 | Very low | 40.8 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | 14.4 | 137.2 | 156.7 | -83.3 | -101 | 0 | 0 | 0 | 120.5 | ||||
| 300 | E | 35.9 | Very low | 39.5 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | -166.6 | 173.6 | 67.5 | -83.1 | -162 | 148 | 0 | 0 | 114 | |||||
| 301 | Q | 44.6 | Very low | 39.7 | Very low | 149 Ų | 149 | 138 Ų | 138 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | -82 | 177 | 166.3 | -56.2 | 172.8 | -82.5 | 0 | 0 | 111.7 | I303 | Q301-I303 HydrophobicContact CB-CD1 4.23Å; Q301-I303 HydrophobicContact CB-CG1 3.92Å | ||
| 302 | P | 56.3 | Low | 38.5 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | -130.6 | 152.2 | 85 | 12.9 | 9.4 | 0 | 0 | 0 | 111.7 | |||||
| 303 | I | 35.9 | Very low | 38 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | cis | 66.6 | 94 | 40.4 | -43.5 | 169.1 | 0 | 0 | 0 | 114.5 | Q301 | Q301-I303 HydrophobicContact CB-CD1 4.23Å; Q301-I303 HydrophobicContact CB-CG1 3.92Å | ||
| 304 | N | 35.7 | Very low | 38.2 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | 169.8 | 124.8 | 127.3 | -89 | 1 | 0 | 0 | 0 | 109.1 | |||||
| 305 | E | 39.8 | Very low | 37.7 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | 65.4 | 134.1 | 70 | -68.7 | -176.9 | 177 | 0 | 0 | 111.7 | |||||
| 306 | Y | 39 | Very low | 37.8 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | cis | -134.5 | 172.4 | 0.6 | -92.9 | -91.2 | 0 | 0 | 0 | 106.4 | ||||
| 307 | G | 34.5 | Very low | 37.7 | Very low | 54 Ų | 54 | 142.7 Ų | 142.7 | 56% | 0.557 | 75% | 0.75 | S | S | * | * | cis | 163.7 | 155.7 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 308 | D | 36.1 | Very low | 37.6 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | 42.6 | 138.7 | 121.8 | -64.6 | 16.5 | 0 | 0 | 0 | 119.6 | |||||
| 309 | N | 38.2 | Very low | 37.5 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | cis | -169 | 177.2 | 1.6 | -113.3 | -31.3 | 0 | 0 | 0 | 109.8 | ||||
| 310 | E | 37.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | 68.7 | 130.2 | 159.6 | -71.9 | 162.5 | -142.1 | 0 | 0 | 117.9 | ||||
| 311 | S | 39.8 | Very low | 37.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | 117.3 | 145.3 | 20 | -81.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 312 | F | 32.8 | Very low | 37.3 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 88.4 | 126 | 152.8 | -83 | -61.6 | 0 | 0 | 0 | 123.1 | ||||
| 313 | L | 32.7 | Very low | 36.2 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 86.3 | 106.8 | 145 | -63.6 | 171.7 | 0 | 0 | 0 | 121.5 | ||||
| 314 | S | 38.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | -0.7 | 133.5 | 122.6 | -54.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 315 | A | 33.8 | Very low | 36.1 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | 176.3 | 162.6 | 98.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 316 | K | 38.6 | Very low | 35.9 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -52.1 | 146.8 | 170.1 | -53.3 | 160.4 | 175.6 | 176.9 | 0 | 114.2 | ||||
| 317 | S | 33.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -173 | 108.1 | 144.6 | -156.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 318 | L | 32.4 | Very low | 36.2 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | 67.2 | 128.2 | 96.7 | -79.3 | 163.1 | 0 | 0 | 0 | 117.4 | |||||
| 319 | C | 33 | Very low | 36.2 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -14.1 | 143.2 | 159 | -49.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 320 | T | 32.7 | Very low | 36 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | -170.5 | 154.6 | 104.7 | 24.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 321 | E | 37.3 | Very low | 36.1 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 71% | 0.71 | 80% | 0.803 | S | S | * | * | trans | -65.5 | 171.4 | 166.8 | -56.4 | -178.1 | 148.7 | 0 | 0 | 112.2 | ||||
| 322 | P | 45.8 | Very low | 36.7 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -126.1 | 145.8 | 117.7 | 35.8 | -31.4 | 0 | 0 | 0 | 114.8 | |||||
| 323 | R | 32.4 | Very low | 36.7 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -78.2 | 170.8 | 175.7 | -77 | 172.4 | 149.8 | -170.4 | -7.2 | 113.3 | ||||
| 324 | S | 34.6 | Very low | 37 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | 76.6 | 150.5 | 148.4 | 78.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 325 | S | 36 | Very low | 36.8 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | cis | 179.2 | 148 | -22.1 | 50.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 326 | I | 35.7 | Very low | 36.8 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -170.6 | 142.9 | 143 | -96.2 | 143.5 | 0 | 0 | 0 | 108.6 | ||||
| 327 | S | 37.9 | Very low | 36.8 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -87.8 | 157.6 | -178.8 | 49.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 328 | E | 41 | Very low | 37.1 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -158.6 | 144.6 | 130.5 | -116.3 | 166.4 | -155.4 | 0 | 0 | 113 | ||||
| 329 | D | 35.7 | Very low | 37.5 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -87 | 142.6 | -177.3 | -73.8 | -69.5 | 0 | 0 | 0 | 112.8 | ||||
| 330 | V | 34.4 | Very low | 38 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -149.2 | 134 | 133.6 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 331 | K | 39.5 | Very low | 38.1 | Very low | 197 Ų | 197 | 151 Ų | 151 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -129.3 | 171.6 | 170.3 | -117 | -164.9 | 176.2 | 173.5 | 0 | 110.1 | ||||
| 332 | P | 52.9 | Low | 38.1 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | -114.1 | 176 | -122.3 | 40.8 | -29.1 | 0 | 0 | 0 | 114.5 | |||||
| 333 | V | 32.9 | Very low | 37.6 | Very low | 141 Ų | 141 | 149 Ų | 149 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -119.8 | 124.8 | 173 | 176.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 334 | L | 38.3 | Very low | 37.9 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -72.7 | 152.7 | 171.6 | -73.4 | 156.4 | 0 | 0 | 0 | 111.8 | ||||
| 335 | K | 34.2 | Very low | 37.9 | Very low | 202 Ų | 202 | 146.2 Ų | 146.2 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -156.7 | 116.8 | 142.6 | -111.1 | 165.3 | -170 | -179.3 | 0 | 111.1 | ||||
| 336 | A | 34.1 | Very low | 37.8 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -97.9 | 154.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 337 | T | 39.4 | Very low | 37.9 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -143.8 | 108.5 | 167 | 45.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 338 | D | 38.3 | Very low | 38.1 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -74 | 154.2 | 164.9 | -56.1 | -65.4 | 0 | 0 | 0 | 110.6 | ||||
| 339 | S | 41.9 | Very low | 38 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -151.8 | 120.1 | 151.6 | -157.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 340 | E | 43.1 | Very low | 38.1 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -78.6 | 166.8 | 174.2 | -55.9 | 179.7 | 134.5 | 0 | 0 | 111.7 | ||||
| 341 | R | 34.6 | Very low | 38.3 | Very low | 214 Ų | 214 | 142 Ų | 142 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | 133.1 | 106.3 | 111.3 | -136.1 | -175.6 | 179.1 | 179.1 | 1.2 | 115.9 | |||||
| 342 | T | 37.5 | Very low | 38.2 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | 46.2 | 132.8 | 140.5 | 63.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 343 | V | 34.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -179.5 | 148.1 | 94.1 | 153.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 344 | S | 40 | Very low | 38.3 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -82.4 | 142.5 | 175.7 | -179 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 345 | I | 34.5 | Very low | 38.1 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -158.8 | 129.4 | 148 | -94.6 | 141.6 | 0 | 0 | 0 | 106.5 | ||||
| 346 | G | 33.8 | Very low | 38.2 | Very low | 60 Ų | 60 | 139 Ų | 139 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | -88.3 | 159.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 347 | N | 37.9 | Very low | 38.1 | Very low | 170 Ų | 170 | 143 Ų | 143 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -153.9 | 154.1 | 151.7 | -103.6 | -28.9 | 0 | 0 | 0 | 112.7 | ||||
| 348 | H | 42.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -85.1 | 151.5 | -175.1 | -167.5 | -66.8 | 0 | 0 | 0 | 111.2 | ||||
| 349 | I | 37.8 | Very low | 37.5 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | 157.8 | 100.8 | 161.9 | -85.7 | 150.6 | 0 | 0 | 0 | 105.8 | ||||
| 350 | V | 37.4 | Very low | 37.3 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 61% | 0.606 | 77% | 0.768 | S | S | * | * | 72.8 | 112.9 | 84 | 174.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 351 | D | 38.8 | Very low | 37.1 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | 29.4 | 125.4 | 151.5 | -53.2 | -35 | 0 | 0 | 0 | 121.4 | ||||
| 352 | H | 37.8 | Very low | 37.1 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | -178.7 | 130.4 | 98.4 | -92.7 | -68.9 | 0 | 0 | 0 | 112.2 | |||||
| 353 | H | 37.4 | Very low | 37.1 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136.7 | 165.9 | -100.6 | -89.2 | 0 | 0 | 0 | 110.5 | ||
| 354 | P | 49.9 | Very low | 37 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 122.6 | 158.3 | 31.4 | -28.8 | 0 | 0 | 0 | 110.2 | ||
| 355 | V | 34.6 | Very low | 36.7 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 136.1 | 167.3 | 175 | 0 | 0 | 0 | 0 | 108.3 | E357 | V355-E357 HydrophobicContact CG1-CG 4.13Š|
| 356 | I | 35.6 | Very low | 36.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -105.7 | 108.8 | 168 | -62 | 177.2 | 0 | 0 | 0 | 107.2 | ||||
| 357 | E | 32.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -81.2 | 132.3 | 170.7 | -63.7 | -177.6 | 147.4 | 0 | 0 | 109.5 | V355 | V355-E357 HydrophobicContact CG1-CG 4.13Š| ||
| 358 | L | 32.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -108.3 | 106.1 | 170.4 | -81.3 | 169.1 | 0 | 0 | 0 | 109.2 | T360 | L358-T360 PolarHBondContact O-N 3.01Š| ||
| 359 | S | 33.2 | Very low | 36 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -60.8 | 128.9 | 175.3 | -42.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 360 | T | 37.5 | Very low | 35.9 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -118.5 | 100.4 | 177.3 | -56 | 0 | 0 | 0 | 0 | 108.4 | L358 | L358-T360 PolarHBondContact O-N 3.01Š| ||
| 361 | E | 38.4 | Very low | 35.7 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -126.2 | 112.3 | 175.5 | -71.9 | -169.1 | -160.7 | 0 | 0 | 112.3 | ||||
| 362 | H | 36.2 | Very low | 35.5 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | trans | 2.5 | 127.3 | 156 | -57.8 | -82.6 | 0 | 0 | 0 | 119.5 | ||||
| 363 | N | 35.8 | Very low | 35.6 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -124.4 | 138.9 | 145.3 | -96.4 | -42.9 | 0 | 0 | 0 | 110.3 | ||||
| 364 | T | 34.3 | Very low | 36.1 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 134.5 | -170.4 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | G366 | T364-G366 PolarHBondContact O-N 3.27Š| ||
| 365 | M | 32.8 | Very low | 36 | Very low | 195 Ų | 195 | 156.8 Ų | 156.8 | 96% | 0.961 | 80% | 0.803 | S | S | * | * | trans | -64.1 | 115.1 | 168.5 | -82.1 | 172.6 | 59.3 | 0 | 0 | 110.8 | ||||
| 366 | G | 33.3 | Very low | 36.6 | Very low | 55 Ų | 55 | 158.6 Ų | 158.6 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | trans | -82.8 | 122.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T364 F368 | T364-G366 PolarHBondContact O-N 3.27Å; G366-F368 PolarHBondContact O-N 3.27Å | ||
| 367 | E | 36.3 | Very low | 37.2 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -76.8 | 106.6 | 175.3 | -170.5 | 171.5 | -143.2 | 0 | 0 | 109.1 | ||||
| 368 | F | 34.3 | Very low | 37.8 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -105.3 | 119.6 | 179 | -79.1 | -76.9 | 0 | 0 | 0 | 111.8 | G366 | G366-F368 PolarHBondContact O-N 3.27Š| ||
| 369 | Q | 31 | Very low | 38.3 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -68.9 | 132.3 | 177.5 | -170.5 | 168.9 | -29.4 | 0 | 0 | 110.3 | D371 | Q369-D371 PolarHBondContact O-N 3.2Š| ||
| 370 | Y | 35.3 | Very low | 38.8 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -86.6 | 102.5 | 178.2 | -82.3 | -99.3 | 0 | 0 | 0 | 110.5 | ||||
| 371 | D | 32.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 152 Ų | 152 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | -85.8 | 126.7 | 164 | -68.6 | -42.4 | 0 | 0 | 0 | 110.2 | Q369 D373 | Q369-D371 PolarHBondContact O-N 3.2Å; D371-D373 PolarHBondContact O-N 2.92Å | ||
| 372 | F | 34.8 | Very low | 38.7 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | trans | -95 | 81.7 | 178 | -108.7 | -93.1 | 0 | 0 | 0 | 109.5 | D374 | F372-D374 PolarHBondContact O-N 3.42Š| ||
| 373 | D | 39 | Very low | 38.7 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -86.3 | 99.3 | 173.8 | -73.4 | -32.5 | 0 | 0 | 0 | 111.2 | D371 E375 | D371-D373 PolarHBondContact O-N 2.92Å; D373-E375 PolarHBondContact O-N 2.8Å | ||
| 374 | D | 48.8 | Very low | 38.9 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 39.1 | 172.3 | -96.3 | -28 | 0 | 0 | 0 | 112.6 | F372 D376 | F372-D374 PolarHBondContact O-N 3.42Å; D374-D376 PolarHBondContact O-N 3.46Å | ||
| 375 | E | 47 | Very low | 39.3 | Very low | 179 Ų | 179 | 157.3 Ų | 157.3 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -92 | 83.9 | 175.9 | -70.4 | -135 | 153.4 | 0 | 0 | 112.3 | D373 | D373-E375 PolarHBondContact O-N 2.8Š| ||
| 376 | D | 48.8 | Very low | 39.9 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | -171.5 | 81.1 | 126.8 | -120.8 | -21.3 | 0 | 0 | 0 | 112.2 | D374 | D374-D376 PolarHBondContact O-N 3.46Š| |||
| 377 | T | 48.3 | Very low | 40.3 | Very low | 134 Ų | 134 | 155 Ų | 155 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -155.2 | 128.3 | 146.4 | 4.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 378 | V | 43.5 | Very low | 40.5 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 58% | 0.582 | 79% | 0.788 | S | S | * | * | trans | 74.6 | 81.9 | 164.5 | -133.4 | 0 | 0 | 0 | 0 | 118.4 | I380 | V378-I380 HydrophobicContact CG1-CD1 3.85Å; V378-I380 HydrophobicContact CG1-CG1 3.93Å; V378-I380 PolarHBondContact O-N 3.11Å | ||
| 379 | L | 42.5 | Very low | 41 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 108.4 | 155.7 | -115.9 | 161.9 | 0 | 0 | 0 | 110.9 | ||||
| 380 | I | 43.7 | Very low | 41.5 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | trans | -137.6 | 127.1 | 164.3 | -60.7 | 179.3 | 0 | 0 | 0 | 107.8 | V378 | V378-I380 HydrophobicContact CG1-CD1 3.85Å; V378-I380 HydrophobicContact CG1-CG1 3.93Å; V378-I380 PolarHBondContact O-N 3.11Å | ||
| 381 | G | 37.8 | Very low | 41.9 | Very low | 53 Ų | 53 | 150.6 Ų | 150.6 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | trans | -73.2 | 135.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 382 | N | 37.7 | Very low | 42.3 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -93.3 | 142 | 172.5 | -66.3 | -24.7 | 0 | 0 | 0 | 110.3 | ||||
| 383 | Y | 36 | Very low | 42.6 | Very low | 219 Ų | 219 | 150.2 Ų | 150.2 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -130.2 | 126.2 | 161.9 | -2.1 | -90.7 | 0 | 0 | 0 | 107.1 | ||||
| 384 | E | 39.7 | Very low | 42.9 | Very low | 196 Ų | 196 | 152 Ų | 152 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -95.6 | 129.1 | 178.5 | -64.2 | -179.4 | 153.2 | 0 | 0 | 109.7 | ||||
| 385 | E | 41.9 | Very low | 42.4 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -139.6 | 142.1 | 164.8 | -167.2 | 165.2 | -164.3 | 0 | 0 | 109.5 | ||||
| 386 | V | 45 | Very low | 42 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -101.2 | 112.7 | -156.2 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 387 | G | 42.7 | Very low | 41.6 | Very low | 58 Ų | 58 | 154 Ų | 154 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | trans | 71 | 126.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 388 | T | 41 | Very low | 41.4 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | 171.3 | 147.3 | 107.8 | 37.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 389 | E | 44.3 | Very low | 41.6 | Very low | 196 Ų | 196 | 160.6 Ų | 160.6 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -99.4 | 136.3 | -171.6 | -62.5 | 172.8 | 156 | 0 | 0 | 111.4 | ||||
| 390 | I | 41.2 | Very low | 41.4 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -142.8 | 133 | 163.4 | -58.7 | -177.4 | 0 | 0 | 0 | 108.1 | ||||
| 391 | D | 43.5 | Very low | 41.4 | Very low | 163 Ų | 163 | 159 Ų | 159 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137.4 | 179.1 | -62.8 | -62.5 | 0 | 0 | 0 | 113 | ||
| 392 | E | 40.6 | Very low | 42.4 | Very low | 199 Ų | 199 | 165.2 Ų | 165.2 | 93% | 0.93 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 120 | 165.2 | -72.6 | -170.3 | 157.5 | 0 | 0 | 110.1 | ||
| 393 | A | 42.2 | Very low | 43.1 | Very low | 99 Ų | 99 | 165.2 Ų | 165.2 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -97 | 148.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 394 | E | 45.5 | Very low | 43.9 | Very low | 180 Ų | 180 | 162.2 Ų | 162.2 | 84% | 0.841 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 141 | -172 | -56.6 | 176.5 | 143.3 | 0 | 0 | 113.4 | ||
| 395 | Q | 37.5 | Very low | 45.2 | Very low | 194 Ų | 194 | 162 Ų | 162 | 91% | 0.907 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 123.5 | 161.6 | -86.5 | -177 | -25.1 | 0 | 0 | 110 | ||
| 396 | Q | 38.4 | Very low | 45.8 | Very low | 176 Ų | 176 | 161.7 Ų | 161.7 | 82% | 0.822 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 146.4 | 165.3 | -66.2 | 178.8 | -2.4 | 0 | 0 | 109.1 | ||
| 397 | N | 40 | Very low | 46.2 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.3 | 172.4 | -65.9 | -33.5 | 0 | 0 | 0 | 110.1 | ||
| 398 | E | 44.2 | Very low | 46.5 | Very low | 193 Ų | 193 | 169.2 Ų | 169.2 | 90% | 0.902 | 86% | 0.864 | S | S | * | * | trans | -123 | 154.5 | 157.3 | -107.6 | -177.8 | 171.8 | 0 | 0 | 109.7 | ||||
| 399 | E | 47.3 | Very low | 47.6 | Very low | 175 Ų | 175 | 166.7 Ų | 166.7 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -90.5 | 179.5 | -170.8 | -59.2 | 172 | 134.9 | 0 | 0 | 112.3 | ||||
| 400 | N | 39.9 | Very low | 48.3 | Very low | 159 Ų | 159 | 163.7 Ų | 163.7 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | 81.9 | 146.3 | 177 | -53 | -45.9 | 0 | 0 | 0 | 115.5 | ||||
| 401 | S | 43.3 | Very low | 48.9 | Very low | 111 Ų | 111 | 163.2 Ų | 163.2 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | cis | -150.6 | 161.3 | -0.4 | 38.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 402 | E | 57.6 | Low | 49.4 | Very low | 182 Ų | 182 | 160.7 Ų | 160.7 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | trans | -67.5 | 130.6 | 160.8 | -62.8 | 165 | 134.6 | 0 | 0 | 109.8 | ||||
| 403 | D | 53 | Low | 50 | Low | 153 Ų | 153 | 156.4 Ų | 156.4 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | 165.4 | 163.3 | 123.2 | -97.2 | -27.2 | 0 | 0 | 0 | 112.9 | |||||
| 404 | D | 52.6 | Low | 50.7 | Low | 157 Ų | 157 | 157.7 Ų | 157.7 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | 74.7 | 110.2 | 170.6 | -63.6 | -27.4 | 0 | 0 | 0 | 119.5 | ||||
| 405 | E | 66.9 | Low | 51.5 | Low | 190 Ų | 190 | 158.2 Ų | 158.2 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -74.3 | 134.5 | 164.8 | -56.6 | -176.6 | 160.1 | 0 | 0 | 110.8 | ||||
| 406 | E | 55.3 | Low | 52.6 | Low | 192 Ų | 192 | 158.5 Ų | 158.5 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -163.3 | 126.2 | 148.3 | -114.2 | 170.5 | -147 | 0 | 0 | 112.4 | ||||
| 407 | D | 52.7 | Low | 53.5 | Low | 152 Ų | 152 | 155.4 Ų | 155.4 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 37.9 | 94.9 | 165.5 | -75.1 | -23.9 | 0 | 0 | 0 | 121.1 | S409 | D407-S409 PolarHBondContact O-N 3.41Š| ||
| 408 | E | 49 | Very low | 54.9 | Low | 206 Ų | 206 | 152.9 Ų | 152.9 | 96% | 0.963 | 82% | 0.816 | S | S | * | * | trans | -64.2 | 98.5 | 162.6 | -79.2 | -161.1 | 137.4 | 0 | 0 | 112.7 | ||||
| 409 | S | 64.8 | Low | 55.7 | Low | 94 Ų | 94 | 152.7 Ų | 152.7 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 130.5 | 155.8 | -67.9 | 0 | 0 | 0 | 0 | 110.1 | D407 I411 | D407-S409 PolarHBondContact O-N 3.41Å; S409-I411 PolarHBondContact O-N 3.45Å | ||
| 410 | P | 58.6 | Low | 56.5 | Low | 133 Ų | 133 | 149 Ų | 149 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 92.6 | -176.1 | 28.5 | -34.9 | 0 | 0 | 0 | 112 | ||||
| 411 | I | 54.8 | Low | 57.7 | Low | 153 Ų | 153 | 145.9 Ų | 145.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 129 | 175.1 | -58.9 | 177.9 | 0 | 0 | 0 | 109.3 | S409 S413 | S409-I411 PolarHBondContact O-N 3.45Å; I411-S413 PolarHBondContact O-N 2.78Å | ||
| 412 | P | 53.1 | Low | 58.4 | Low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -67.1 | 125.8 | -177.3 | 26.2 | -34.4 | 0 | 0 | 0 | 111.7 | T414 | P412-T414 PolarHBondContact O-N 3.27Å; P412-T414 VanDerWaalsContact O-N 3.1Å | ||
| 413 | S | 52.4 | Low | 58.7 | Low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -59 | 112.3 | -179.3 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | I411 K415 | I411-S413 PolarHBondContact O-N 2.78Å; S413-K415 PolarHBondContact O-N 3.47Å; S413-K415 VanDerWaalsContact O-N 3.14Å | ||
| 414 | T | 57.3 | Low | 59.2 | Low | 125 Ų | 125 | 138.7 Ų | 138.7 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -73 | 106.5 | 176.1 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | P412 K416 | P412-T414 PolarHBondContact O-N 3.27Å; P412-T414 VanDerWaalsContact O-N 3.1Å; T414-K416 PolarHBondContact O-N 2.87Å | ||
| 415 | K | 62.9 | Low | 59.7 | Low | 191 Ų | 191 | 136.8 Ų | 136.8 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -64.1 | 98.7 | 178.5 | -67.2 | 179.8 | 179.9 | 178.6 | 0 | 110.1 | S413 V417 | S413-K415 PolarHBondContact O-N 3.47Å; S413-K415 VanDerWaalsContact O-N 3.14Å; K415-V417 PolarHBondContact O-N 2.91Å | ||
| 416 | K | 60.9 | Low | 59.5 | Low | 201 Ų | 201 | 135.5 Ų | 135.5 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -64 | 115 | 168.6 | -68.6 | -174 | 177.7 | -176.4 | 0 | 108.8 | T414 | T414-K416 PolarHBondContact O-N 2.87Š| ||
| 417 | V | 57.8 | Low | 60.3 | Low | 110 Ų | 110 | 131.1 Ų | 131.1 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | -90.6 | 104.9 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | K415 F419 | K415-V417 PolarHBondContact O-N 2.91Å; V417-F419 PolarHBondContact O-N 3.05Å | ||
| 418 | S | 67.6 | Low | 61.5 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 117.1 | 175.7 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 419 | F | 61.6 | Low | 63.2 | Low | 189 Ų | 189 | 124.3 Ų | 124.3 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 146.2 | 173.3 | -68 | -87 | 0 | 0 | 0 | 111.1 | V417 | V417-F419 PolarHBondContact O-N 3.05Š|
| 420 | A | 65.1 | Low | 64.1 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133.5 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 421 | V | 65.1 | Low | 65.5 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 56% | 0.564 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 136.3 | -178.5 | -180 | 0 | 0 | 0 | 0 | 112.8 | ||
| 422 | P | 57.1 | Low | 67.1 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 135.1 | -175.1 | -30.2 | 35.9 | 0 | 0 | 0 | 116 | V424 | P422-V424 VanDerWaalsContact C-N 3.3Å; P422-V424 PolarHBondContact O-N 3.36Å |
| 423 | V | 63.7 | Low | 68.7 | Low | 101 Ų | 101 | 122.5 Ų | 122.5 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -26.4 | -174.6 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | Q425 R426 | V423-Q425 VanDerWaalsContact C-N 3.3Å; V423-Q425 PolarHBondContact O-N 3.48Å; V423-R426 VanDerWaalsContact O-CB 3.3Å; V423-R426 WeakPolarHBondContact O-CB 3.41Å; V423-R426 PolarHBondContact O-N 3.19Å |
| 424 | V | 63.6 | Low | 70.3 | Confident | 107 Ų | 107 | 120.3 Ų | 120.3 | 65% | 0.648 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57.4 | -39.6 | -176.7 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | P422 R426 L427 | P422-V424 VanDerWaalsContact C-N 3.3Å; P422-V424 PolarHBondContact O-N 3.36Å; V424-R426 PolarHBondContact O-N 3.15Å; V424-L427 PolarHBondContact O-N 3.49Å |
| 425 | Q | 62.7 | Low | 71.9 | Confident | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.3 | -22 | 176.4 | -66.6 | -169.9 | 5.9 | 0 | 0 | 113.5 | V423 K429 | V423-Q425 VanDerWaalsContact C-N 3.3Å; V423-Q425 PolarHBondContact O-N 3.48Å; Q425-K429 WeakPolarHBondContact O-CG 3.15Å |
| 426 | R | 63 | Low | 73.4 | Confident | 164 Ų | 164 | 113.9 Ų | 113.9 | 62% | 0.619 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.2 | -32.3 | -179.6 | -58.2 | -175.8 | 177.4 | -171.2 | -1.1 | 112.2 | V423 V424 R430 | V423-R426 VanDerWaalsContact O-CB 3.3Å; V423-R426 WeakPolarHBondContact O-CB 3.41Å; V423-R426 PolarHBondContact O-N 3.19Å; V424-R426 PolarHBondContact O-N 3.15Å; R426-R430 WeakPolarHBondContact O-CB 2.8Å; R426-R430 PolarHBondContact O-N 3.34Å; R426-R430 VanDerWaalsContact O-N 3.08Å |
| 427 | L | 72.4 | Confident | 75 | Confident | 100 Ų | 100 | 109.1 Ų | 109.1 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66 | -46.8 | 178.1 | -89.6 | 154.6 | 0 | 0 | 0 | 111.8 | V424 R430 N431 | V424-L427 PolarHBondContact O-N 3.49Å; L427-R430 PolarHBondContact O-N 3.34Å; L427-N431 PolarHBondContact O-N 3.4Å |
| 428 | N | 77.6 | Confident | 76.8 | Confident | 94 Ų | 94 | 106.1 Ų | 106.1 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 178.9 | -69.1 | -8 | 0 | 0 | 0 | 111.5 | R430 N431 E432 | N428-R430 VanDerWaalsContact C-N 3.28Å; N428-R430 PolarHBondContact O-N 3.21Å; N428-N431 PolarHBondContact O-N 3.5Å; N428-N431 VanDerWaalsContact O-N 3.12Å; N428-E432 WeakPolarHBondContact O-CG 3.25Å; N428-E432 PolarHBondContact O-N 2.94Å |
| 429 | K | 84.8 | Confident | 78.1 | Confident | 121 Ų | 121 | 106.3 Ų | 106.3 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.5 | -37.9 | 175.2 | -72.6 | 174.5 | 178.8 | 171.4 | 0 | 112.8 | Q425 Q433 | Q425-K429 WeakPolarHBondContact O-CG 3.15Å; K429-Q433 VanDerWaalsContact O-CG 3.28Å; K429-Q433 WeakPolarHBondContact O-CG 3.39Å; K429-Q433 PolarHBondContact O-N 3.43Å; K429-Q433 VanDerWaalsContact O-N 3.13Å |
| 430 | R | 84.1 | Confident | 79.8 | Confident | 137 Ų | 137 | 97.3 Ų | 97.3 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 175.4 | -171.7 | 178.1 | -178.1 | -176.8 | -1.1 | 111.8 | R426 L427 N428 Q433 M434 | R426-R430 WeakPolarHBondContact O-CB 2.8Å; R426-R430 PolarHBondContact O-N 3.34Å; R426-R430 VanDerWaalsContact O-N 3.08Å; L427-R430 PolarHBondContact O-N 3.34Å; N428-R430 VanDerWaalsContact C-N 3.28Å; N428-R430 PolarHBondContact O-N 3.21Å; R430-Q433 PolarHBondContact O-N 3.31Å; R430-M434 HydrophobicContact CG-CG 4.5Å; R430-M434 VanDerWaalsContact O-CG 3.26Å; R430-M434 WeakPolarHBondContact O-CG 3.29Å; R430-M434 PolarHBondContact O-N 2.93Å |
| 431 | N | 87.4 | Confident | 81.3 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.1 | -77 | -20.8 | 0 | 0 | 0 | 112.1 | L427 N428 M434 N435 | L427-N431 PolarHBondContact O-N 3.4Å; N428-N431 PolarHBondContact O-N 3.5Å; N428-N431 VanDerWaalsContact O-N 3.12Å; N431-M434 PolarHBondContact O-N 3.31Å; N431-N435 WeakPolarHBondContact O-CB 3.32Å; N431-N435 VanDerWaalsContact O-CG 3.26Å; N431-N435 PolarHBondContact O-N 2.91Å; N431-N435 PolarHBondContact O-ND2 3.45Å; N431-N435 VanDerWaalsContact O-ND2 3.08Å |
| 432 | E | 89 | Confident | 82.8 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 55% | 0.547 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 171.1 | -73.9 | 165.1 | -153.1 | 0 | 0 | 111.3 | N428 M434 N435 K436 | N428-E432 WeakPolarHBondContact O-CG 3.25Å; N428-E432 PolarHBondContact O-N 2.94Å; E432-M434 VanDerWaalsContact C-N 3.31Å; E432-M434 PolarHBondContact O-N 2.94Å; E432-N435 PolarHBondContact O-N 2.91Å; E432-N435 VanDerWaalsContact O-N 3.16Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 3.11Å |
| 433 | Q | 86.5 | Confident | 84.7 | Confident | 113 Ų | 113 | 94.4 Ų | 94.4 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 175.8 | -73.4 | 173.5 | 8.7 | 0 | 0 | 112.5 | K429 R430 N435 K436 | K429-Q433 VanDerWaalsContact O-CG 3.28Å; K429-Q433 WeakPolarHBondContact O-CG 3.39Å; K429-Q433 PolarHBondContact O-N 3.43Å; K429-Q433 VanDerWaalsContact O-N 3.13Å; R430-Q433 PolarHBondContact O-N 3.31Å; Q433-N435 VanDerWaalsContact C-N 3.29Å; Q433-N435 PolarHBondContact O-N 2.66Å; Q433-K436 PolarHBondContact O-N 3.18Å |
| 434 | M | 86.6 | Confident | 86.3 | Confident | 63 Ų | 63 | 92 Ų | 92 | 31% | 0.31 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.2 | -27.8 | 179 | -70 | -65.4 | -69.5 | 0 | 0 | 113.5 | R430 N431 E432 L455 R456 | R430-M434 HydrophobicContact CG-CG 4.5Å; R430-M434 VanDerWaalsContact O-CG 3.26Å; R430-M434 WeakPolarHBondContact O-CG 3.29Å; R430-M434 PolarHBondContact O-N 2.93Å; N431-M434 PolarHBondContact O-N 3.31Å; E432-M434 VanDerWaalsContact C-N 3.31Å; E432-M434 PolarHBondContact O-N 2.94Å; M434-L455 HydrophobicContact CE-CB 4.16Å; M434-L455 PolarHBondContact O-N 2.89Å; M434-L455 HydrophobicContact SD-CB 3.81Å; M434-L455 HydrophobicContact SD-CD2 4.23Å; M434-R456 HydrophobicContact CB-CB 4.46Å; M434-R456 WeakPolarHBondContact O-CB 3.23Å; M434-R456 PolarHBondContact O-N 2.82Å |
| 435 | N | 90.8 | Very high | 87.7 | Confident | 65 Ų | 65 | 95.6 Ų | 95.6 | 35% | 0.348 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -93.6 | -7.6 | -178.7 | -71.4 | -35 | 0 | 0 | 0 | 114 | N431 E432 Q433 N437 R456 | N431-N435 WeakPolarHBondContact O-CB 3.32Å; N431-N435 VanDerWaalsContact O-CG 3.26Å; N431-N435 PolarHBondContact O-N 2.91Å; N431-N435 PolarHBondContact O-ND2 3.45Å; N431-N435 VanDerWaalsContact O-ND2 3.08Å; E432-N435 PolarHBondContact O-N 2.91Å; E432-N435 VanDerWaalsContact O-N 3.16Å; Q433-N435 VanDerWaalsContact C-N 3.29Å; Q433-N435 PolarHBondContact O-N 2.66Å; N435-N437 PolarHBondContact O-N 2.97Å; N435-R456 WeakPolarHBondContact OD1-CD 3.45Å |
| 436 | K | 94.5 | Very high | 89.3 | Confident | 116 Ų | 116 | 94 Ų | 94 | 50% | 0.504 | 46% | 0.463 | S | S | . | . | trans | -57.7 | 129.7 | 175.1 | -80.9 | 173.6 | -172.1 | -173.6 | 0 | 110.5 | E432 Q433 H438 | E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 3.11Å; Q433-K436 PolarHBondContact O-N 3.18Å; K436-H438 PolarHBondContact O-CD2 2.78Å; K436-H438 VanDerWaalsContact O-CD2 3.27Å; K436-H438 PolarHBondContact O-N 3.13Å | ||
| 437 | N | 95 | Very high | 90.9 | Very high | 100 Ų | 100 | 87.1 Ų | 87.1 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.3 | 172.7 | -72.5 | -20.8 | 0 | 0 | 0 | 109.1 | N435 K454 | N435-N437 PolarHBondContact O-N 2.97Å; N437-K454 WeakPolarHBondContact OD1-CE 3.5Å; N437-K454 VanDerWaalsContact OD1-CG 3.25Å; N437-K454 WeakPolarHBondContact OD1-CG 3.43Å |
| 438 | H | 94.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 91.5 Ų | 91.5 | 22% | 0.222 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.1 | 170.2 | -63.8 | -84.7 | 0 | 0 | 0 | 108.7 | K436 I440 W453 L455 I535 | K436-H438 PolarHBondContact O-CD2 2.78Å; K436-H438 VanDerWaalsContact O-CD2 3.27Å; K436-H438 PolarHBondContact O-N 3.13Å; H438-I440 HydrophobicContact CB-CG1 4.46Å; H438-I440 PolarHBondContact O-N 2.89Å; H438-W453 HydrophobicContact CB-CE3 4.2Å; H438-W453 PolarHBondContact N-O 3.27Å; H438-W453 PolarHBondContact O-N 3.38Å; H438-L455 WeakPolarHBondContact CD2-CD1 3.35Å; H438-L455 WeakPolarHBondContact NE2-CD1 3.38Å; H438-I535 HydrophobicContact CB-CG2 4.05Å; H438-I535 WeakPolarHBondContact ND1-CG2 3.27Å |
| 439 | I | 96 | Very high | 92.8 | Very high | 118 Ų | 118 | 92.4 Ų | 92.4 | 61% | 0.605 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 109 | 174.5 | -58.9 | 177.9 | 0 | 0 | 0 | 107 | I450 | I439-I450 HydrophobicContact CG2-CG2 3.35Å |
| 440 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.8 | -179.1 | -65.1 | 177.1 | 0 | 0 | 0 | 107.3 | H438 L451 W453 L462 F529 H532 I536 | H438-I440 HydrophobicContact CB-CG1 4.46Å; H438-I440 PolarHBondContact O-N 2.89Å; I440-L451 PolarHBondContact N-O 2.87Å; I440-L451 PolarHBondContact O-N 3.3Å; I440-W453 HydrophobicContact CD1-CB 3.83Å; I440-W453 HydrophobicContact CD1-CD2 3.89Å; I440-W453 HydrophobicContact CD1-CE3 3.58Å; I440-W453 HydrophobicContact CD1-CG 4.02Å; I440-W453 HydrophobicContact CD1-CZ3 4.41Å; I440-W453 HydrophobicContact CG1-CB 4.43Å; I440-L462 HydrophobicContact CD1-CD1 3.92Å; I440-L462 HydrophobicContact CD1-CD2 4.05Å; I440-L462 HydrophobicContact CG2-CD2 4.3Å; I440-F529 HydrophobicContact CG2-CD1 3.41Å; I440-F529 VanDerWaalsContact CG2-CD1 3.41Å; I440-F529 HydrophobicContact CG2-CE1 3.66Å; I440-F529 HydrophobicContact CG2-CG 4.47Å; I440-H532 HydrophobicContact CG2-CB 4.17Å; I440-I536 HydrophobicContact CD1-CD1 4.05Å; I440-I536 HydrophobicContact CD1-CG1 3.7Å |
| 441 | K | 96.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 86.7 Ų | 86.7 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 144 | 173 | -59.6 | -171.2 | 179.1 | -178.3 | 0 | 108.6 | I450 H532 | K441-I450 HydrophobicContact CG-CG1 4.25Å; K441-I450 HydrophobicContact CG-CG2 4.43Å; K441-H532 PolarHBondContact N-NE2 3.38Å; K441-H532 PolarHBondContact O-CD2 3.5Å; K441-H532 VanDerWaalsContact O-CD2 3.25Å; K441-H532 PolarHBondContact O-NE2 2.99Å |
| 442 | C | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 86.1 Ų | 86.1 | 6% | 0.061 | 44% | 0.443 | C | S | . | . | trans | -78.5 | 135.6 | 166.2 | -168.9 | 0 | 0 | 0 | 0 | 109.2 | F444 C447 Q449 H465 | C442-F444 VanDerWaalsContact SG-CB 3.57Å; C442-F444 PolarHBondContact SG-N 2.8Å; C442-C447 HydrophobicContact CB-CB 4.18Å; C442-Q449 PolarHBondContact N-O 3.21Å; C442-H465 WeakPolarHBondContact CB-NE2 3.36Å; C442-H465 PolarHBondContact SG-NE2 3.15Å | ||
| 443 | N | 96.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 81 Ų | 81 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | trans | -104.6 | 6.6 | 177.2 | -76.9 | 44 | 0 | 0 | 0 | 112.6 | C528 | N443-C528 PolarHBondContact N-O 3.35Š| ||
| 444 | F | 95.9 | Very high | 95 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -66.6 | 145.1 | 176.6 | -161.8 | -88.3 | 0 | 0 | 0 | 110.9 | C442 G446 C447 H469 L524 K527 | C442-F444 VanDerWaalsContact SG-CB 3.57Å; C442-F444 PolarHBondContact SG-N 2.8Å; F444-G446 PolarHBondContact O-N 3.24Å; F444-C447 HydrophobicContact CB-CB 3.99Å; F444-C447 WeakPolarHBondContact O-CB 3.47Å; F444-C447 PolarHBondContact O-N 3.08Å; F444-H469 HydrophobicContact CD1-CB 3.87Å; F444-H469 AromaticContact CD1-CG 3.58Å; F444-H469 AromaticContact CD1-ND1 3.53Å; F444-H469 HydrophobicContact CD2-CB 4.09Å; F444-H469 AromaticContact CD2-CG 4Å; F444-H469 HydrophobicContact CE1-CB 3.69Å; F444-H469 AromaticContact CE1-CG 3.94Å; F444-H469 HydrophobicContact CE2-CB 3.9Å; F444-H469 HydrophobicContact CG-CB 4.08Å; F444-H469 AromaticContact CG-CD2 3.99Å; F444-H469 AromaticContact CG-CG 3.62Å; F444-H469 AromaticContact CG-ND1 3.89Å; F444-H469 HydrophobicContact CZ-CB 3.7Å; F444-L524 HydrophobicContact CE2-CD2 3.99Å; F444-K527 HydrophobicContact CD2-CB 4.02Å; F444-K527 HydrophobicContact CE2-CB 4.4Å; F444-K527 HydrophobicContact CE2-CD 4.23Å |
| 445 | E | 95 | Very high | 95.1 | Very high | 183 Ų | 183 | 77.7 Ų | 77.7 | 86% | 0.855 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.9 | -175.1 | -64.9 | -178.7 | -170.4 | 0 | 0 | 111.2 | C447 | E445-C447 PolarHBondContact O-N 2.98Å; E445-C447 VanDerWaalsContact O-N 3.15Å |
| 446 | G | 94.7 | Very high | 95 | Very high | 82 Ų | 82 | 83 Ų | 83 | 85% | 0.845 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -18.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F444 K448 | F444-G446 PolarHBondContact O-N 3.24Å; G446-K448 PolarHBondContact O-N 3.14Å |
| 447 | C | 96.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 82.3 Ų | 82.3 | 14% | 0.142 | 41% | 0.413 | C | S | . | . | trans | -78.6 | 121.5 | 179.4 | -167 | 0 | 0 | 0 | 0 | 112.2 | C442 F444 E445 Q449 H469 | C442-C447 HydrophobicContact CB-CB 4.18Å; F444-C447 HydrophobicContact CB-CB 3.99Å; F444-C447 WeakPolarHBondContact O-CB 3.47Å; F444-C447 PolarHBondContact O-N 3.08Å; E445-C447 PolarHBondContact O-N 2.98Å; E445-C447 VanDerWaalsContact O-N 3.15Å; C447-Q449 PolarHBondContact SG-N 3.43Å; C447-H469 PolarHBondContact SG-CE1 3.31Å | ||
| 448 | K | 94.9 | Very high | 94.4 | Very high | 192 Ų | 192 | 78.9 Ų | 78.9 | 84% | 0.835 | 40% | 0.401 | S | S | * | . | trans | -108.8 | 15.2 | 174.4 | -61.3 | 177.7 | -174.8 | 171.2 | 0 | 113 | G446 | G446-K448 PolarHBondContact O-N 3.14Š| ||
| 449 | Q | 96.2 | Very high | 94.2 | Very high | 113 Ų | 113 | 79 Ų | 79 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | trans | -70.5 | 138.6 | -175.1 | -68.6 | -65.3 | -14.5 | 0 | 0 | 112 | C442 C447 | C442-Q449 PolarHBondContact N-O 3.21Å; C447-Q449 PolarHBondContact SG-N 3.43Å | ||
| 450 | I | 96.4 | Very high | 93.9 | Very high | 98 Ų | 98 | 76.3 Ų | 76.3 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 115.4 | 179.1 | -54.5 | -176.7 | 0 | 0 | 0 | 107.9 | I439 K441 | I439-I450 HydrophobicContact CG2-CG2 3.35Å; K441-I450 HydrophobicContact CG-CG1 4.25Å; K441-I450 HydrophobicContact CG-CG2 4.43Å |
| 451 | L | 95.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 83.2 Ų | 83.2 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.6 | -175.6 | -59 | 176.3 | 0 | 0 | 0 | 110.2 | I440 W453 L462 H465 F529 | I440-L451 PolarHBondContact N-O 2.87Å; I440-L451 PolarHBondContact O-N 3.3Å; L451-W453 PolarHBondContact O-N 3.34Å; L451-L462 HydrophobicContact CB-CD2 4.49Å; L451-L462 HydrophobicContact CD1-CD2 3.77Å; L451-H465 HydrophobicContact CD1-CB 3.79Å; L451-F529 HydrophobicContact CD1-CE1 3.91Å; L451-F529 HydrophobicContact CD1-CZ 3.7Å |
| 452 | S | 95.2 | Very high | 93.6 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 106.8 | 166.7 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 453 | W | 95.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 77.5 Ų | 77.5 | 3% | 0.034 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.2 | -173.6 | -176.7 | 69.8 | 0 | 0 | 0 | 111.4 | H438 I440 L451 L455 G458 L462 I536 | H438-W453 HydrophobicContact CB-CE3 4.2Å; H438-W453 PolarHBondContact N-O 3.27Å; H438-W453 PolarHBondContact O-N 3.38Å; I440-W453 HydrophobicContact CD1-CB 3.83Å; I440-W453 HydrophobicContact CD1-CD2 3.89Å; I440-W453 HydrophobicContact CD1-CE3 3.58Å; I440-W453 HydrophobicContact CD1-CG 4.02Å; I440-W453 HydrophobicContact CD1-CZ3 4.41Å; I440-W453 HydrophobicContact CG1-CB 4.43Å; L451-W453 PolarHBondContact O-N 3.34Å; W453-L455 HydrophobicContact CE3-CD1 4.3Å; W453-L455 HydrophobicContact CH2-CB 4.45Å; W453-L455 HydrophobicContact CH2-CD1 4.1Å; W453-L455 HydrophobicContact CH2-CG 3.85Å; W453-L455 HydrophobicContact CZ3-CD1 3.67Å; W453-L455 HydrophobicContact CZ3-CG 3.96Å; W453-G458 PolarHBondContact NE1-O 3.46Å; W453-L462 HydrophobicContact CB-CD2 4.47Å; W453-L462 HydrophobicContact CD2-CD1 4.13Å; W453-L462 HydrophobicContact CG-CD1 4.29Å; W453-L462 HydrophobicContact CG-CD2 4.29Å; W453-L462 HydrophobicContact CG-CG 4.35Å; W453-L462 HydrophobicContact CZ2-CD1 4.43Å; W453-I536 HydrophobicContact CZ3-CG1 4.5Å |
| 454 | K | 93.9 | Very high | 93.1 | Very high | 53 Ų | 53 | 74.5 Ų | 74.5 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 142.7 | 167.6 | -62.2 | 179 | -172.7 | 160.9 | 0 | 107.9 | N437 R456 Y457 | N437-K454 WeakPolarHBondContact OD1-CE 3.5Å; N437-K454 VanDerWaalsContact OD1-CG 3.25Å; N437-K454 WeakPolarHBondContact OD1-CG 3.43Å; K454-R456 PolarHBondContact O-N 2.89Å; K454-R456 VanDerWaalsContact O-N 3.12Å; K454-Y457 HydrophobicContact CB-CD2 3.74Å; K454-Y457 HydrophobicContact CB-CE2 3.86Å; K454-Y457 HydrophobicContact CB-CG 4.28Å; K454-Y457 HydrophobicContact CD-CD2 4.36Å; K454-Y457 HydrophobicContact CD-CE2 3.61Å; K454-Y457 HydrophobicContact CG-CD2 4.09Å; K454-Y457 HydrophobicContact CG-CE2 3.71Å; K454-Y457 PolarHBondContact NZ-OH 3.21Å; K454-Y457 VanDerWaalsContact NZ-OH 3.08Å; K454-Y457 PolarHBondContact O-N 2.92Å |
| 455 | L | 89.4 | Confident | 93 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 29% | 0.288 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -54.8 | -34.1 | 175 | -81.3 | 71.7 | 0 | 0 | 0 | 111.4 | M434 H438 W453 Y457 G458 | M434-L455 HydrophobicContact CE-CB 4.16Å; M434-L455 PolarHBondContact O-N 2.89Å; M434-L455 HydrophobicContact SD-CB 3.81Å; M434-L455 HydrophobicContact SD-CD2 4.23Å; H438-L455 WeakPolarHBondContact CD2-CD1 3.35Å; H438-L455 WeakPolarHBondContact NE2-CD1 3.38Å; W453-L455 HydrophobicContact CE3-CD1 4.3Å; W453-L455 HydrophobicContact CH2-CB 4.45Å; W453-L455 HydrophobicContact CH2-CD1 4.1Å; W453-L455 HydrophobicContact CH2-CG 3.85Å; W453-L455 HydrophobicContact CZ3-CD1 3.67Å; W453-L455 HydrophobicContact CZ3-CG 3.96Å; L455-Y457 PolarHBondContact O-N 3.32Å; L455-G458 PolarHBondContact O-N 3.49Å |
| 456 | R | 89.5 | Confident | 92.9 | Very high | 177 Ų | 177 | 64.4 Ų | 64.4 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -59.3 | -26.5 | 175.2 | -166 | 173.4 | -171.8 | -176.4 | 3.1 | 114.7 | M434 N435 K454 G458 | M434-R456 HydrophobicContact CB-CB 4.46Å; M434-R456 WeakPolarHBondContact O-CB 3.23Å; M434-R456 PolarHBondContact O-N 2.82Å; N435-R456 WeakPolarHBondContact OD1-CD 3.45Å; K454-R456 PolarHBondContact O-N 2.89Å; K454-R456 VanDerWaalsContact O-N 3.12Å; R456-G458 VanDerWaalsContact C-N 3.25Å; R456-G458 PolarHBondContact O-N 3.27Å |
| 457 | Y | 87.6 | Confident | 92.8 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -81 | -4.8 | 176.7 | -58.7 | -37.5 | 0 | 0 | 0 | 113.3 | K454 L455 | K454-Y457 HydrophobicContact CB-CD2 3.74Å; K454-Y457 HydrophobicContact CB-CE2 3.86Å; K454-Y457 HydrophobicContact CB-CG 4.28Å; K454-Y457 HydrophobicContact CD-CD2 4.36Å; K454-Y457 HydrophobicContact CD-CE2 3.61Å; K454-Y457 HydrophobicContact CG-CD2 4.09Å; K454-Y457 HydrophobicContact CG-CE2 3.71Å; K454-Y457 PolarHBondContact NZ-OH 3.21Å; K454-Y457 VanDerWaalsContact NZ-OH 3.08Å; K454-Y457 PolarHBondContact O-N 2.92Å; L455-Y457 PolarHBondContact O-N 3.32Å |
| 458 | G | 88.7 | Confident | 92.6 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | 65.9 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W453 L455 R456 Q460 | W453-G458 PolarHBondContact NE1-O 3.46Å; L455-G458 PolarHBondContact O-N 3.49Å; R456-G458 VanDerWaalsContact C-N 3.25Å; R456-G458 PolarHBondContact O-N 3.27Å; G458-Q460 PolarHBondContact O-N 3.3Å | ||
| 459 | K | 90.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 55.7 Ų | 55.7 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5.3 | -176 | -55.6 | -167.1 | -175.8 | -166.8 | 0 | 113.8 | R461 L462 L463 I536 G537 N538 I539 | K459-R461 PolarHBondContact O-N 2.92Å; K459-L462 PolarHBondContact O-N 3.21Å; K459-L463 PolarHBondContact O-N 3.18Å; K459-I536 HydrophobicContact CD-CG2 3.94Å; K459-I536 WeakPolarHBondContact CE-O 3.01Å; K459-I536 HydrophobicContact CG-CG2 4.33Å; K459-I536 PolarHBondContact NZ-O 3.2Å; K459-G537 PolarHBondContact NZ-O 3.33Å; K459-N538 PolarHBondContact NZ-O 3.11Å; K459-I539 HydrophobicContact CD-CG1 3.82Å |
| 460 | Q | 89.4 | Confident | 92 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 29% | 0.29 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | -173.8 | -171.7 | 162.5 | 8.3 | 0 | 0 | 112.9 | G458 L462 L463 D464 H487 I508 | G458-Q460 PolarHBondContact O-N 3.3Å; Q460-L462 VanDerWaalsContact C-N 3.25Å; Q460-L462 PolarHBondContact O-N 2.94Å; Q460-L463 CarbonylContact O-C 3.59Å; Q460-L463 WeakPolarHBondContact O-CB 3.38Å; Q460-L463 PolarHBondContact O-N 3.37Å; Q460-L463 VanDerWaalsContact O-N 3.11Å; Q460-D464 PolarHBondContact O-N 2.99Å; Q460-H487 PolarHBondContact NE2-CD2 2.95Å; Q460-H487 PolarHBondContact NE2-CE1 3.43Å; Q460-H487 VanDerWaalsContact NE2-CE1 3.35Å; Q460-H487 PolarHBondContact NE2-ND1 3.37Å; Q460-H487 PolarHBondContact NE2-NE2 3Å; Q460-I508 HydrophobicContact CB-CD1 3.75Å; Q460-I508 HydrophobicContact CB-CG1 4.08Å; Q460-I508 HydrophobicContact CG-CG1 4.42Å |
| 461 | R | 91.9 | Very high | 91.3 | Very high | 145 Ų | 145 | 55.6 Ų | 55.6 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -31.5 | 178.4 | -73.7 | -173.9 | 168 | -163.4 | -5.5 | 114 | K459 H465 | K459-R461 PolarHBondContact O-N 2.92Å; R461-H465 PolarHBondContact O-N 3.29Å |
| 462 | L | 94.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.1 | -43 | 175.7 | -58.6 | 177.3 | 0 | 0 | 0 | 109.6 | I440 L451 W453 K459 Q460 H465 A466 F525 F529 I536 | I440-L462 HydrophobicContact CD1-CD1 3.92Å; I440-L462 HydrophobicContact CD1-CD2 4.05Å; I440-L462 HydrophobicContact CG2-CD2 4.3Å; L451-L462 HydrophobicContact CB-CD2 4.49Å; L451-L462 HydrophobicContact CD1-CD2 3.77Å; W453-L462 HydrophobicContact CB-CD2 4.47Å; W453-L462 HydrophobicContact CD2-CD1 4.13Å; W453-L462 HydrophobicContact CG-CD1 4.29Å; W453-L462 HydrophobicContact CG-CD2 4.29Å; W453-L462 HydrophobicContact CG-CG 4.35Å; W453-L462 HydrophobicContact CZ2-CD1 4.43Å; K459-L462 PolarHBondContact O-N 3.21Å; Q460-L462 VanDerWaalsContact C-N 3.25Å; Q460-L462 PolarHBondContact O-N 2.94Å; L462-H465 PolarHBondContact O-N 3.43Å; L462-A466 PolarHBondContact O-N 3.16Å; L462-F525 HydrophobicContact CB-CE2 3.57Å; L462-F525 HydrophobicContact CB-CZ 3.81Å; L462-F525 HydrophobicContact CD1-CZ 4.22Å; L462-F529 HydrophobicContact CB-CD2 4.29Å; L462-F529 HydrophobicContact CB-CE2 3.87Å; L462-F529 HydrophobicContact CB-CZ 4.14Å; L462-F529 HydrophobicContact CD2-CE1 4.07Å; L462-F529 HydrophobicContact CD2-CZ 3.98Å; L462-F529 WeakPolarHBondContact O-CE2 3.35Å; L462-I536 HydrophobicContact CD1-CD1 3.82Å; L462-I536 HydrophobicContact CD1-CG1 3.79Å; L462-I536 HydrophobicContact CD1-CG2 3.98Å |
| 463 | L | 91.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 173.5 | 175.4 | 59.5 | 0 | 0 | 0 | 111.5 | K459 Q460 H465 A466 M467 I508 V511 F512 I521 | K459-L463 PolarHBondContact O-N 3.18Å; Q460-L463 CarbonylContact O-C 3.59Å; Q460-L463 WeakPolarHBondContact O-CB 3.38Å; Q460-L463 PolarHBondContact O-N 3.37Å; Q460-L463 VanDerWaalsContact O-N 3.11Å; L463-H465 PolarHBondContact O-N 3.49Å; L463-H465 VanDerWaalsContact O-N 3.13Å; L463-A466 WeakPolarHBondContact O-CA 3.49Å; L463-A466 WeakPolarHBondContact O-CB 3.43Å; L463-A466 PolarHBondContact O-N 3.37Å; L463-M467 HydrophobicContact CD1-CG 4.18Å; L463-M467 HydrophobicContact CD1-SD 4.1Å; L463-M467 HydrophobicContact CG-CG 4.45Å; L463-M467 VanDerWaalsContact O-CG 3.29Å; L463-M467 WeakPolarHBondContact O-CG 3.46Å; L463-M467 PolarHBondContact O-N 3.37Å; L463-I508 HydrophobicContact CD2-CG2 3.93Å; L463-V511 HydrophobicContact CD1-CG1 4.46Å; L463-V511 HydrophobicContact CD2-CB 3.97Å; L463-V511 HydrophobicContact CD2-CG1 3.83Å; L463-V511 HydrophobicContact CG-CG1 4.48Å; L463-F512 HydrophobicContact CB-CE2 4.47Å; L463-F512 HydrophobicContact CB-CZ 4.13Å; L463-F512 HydrophobicContact CD1-CD1 4.29Å; L463-F512 HydrophobicContact CD1-CE1 3.79Å; L463-F512 HydrophobicContact CD1-CE2 4.46Å; L463-F512 HydrophobicContact CD1-CZ 3.87Å; L463-F512 HydrophobicContact CD2-CD2 4.32Å; L463-F512 HydrophobicContact CD2-CE2 4.05Å; L463-F512 HydrophobicContact CD2-CZ 4.25Å; L463-F512 HydrophobicContact CG-CZ 4.31Å; L463-I521 HydrophobicContact CD1-CG2 3.53Å |
| 464 | D | 92 | Very high | 89.5 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.6 | -35 | 177 | -73.9 | -42.4 | 0 | 0 | 0 | 112 | Q460 T468 H487 | Q460-D464 PolarHBondContact O-N 2.99Å; D464-T468 WeakPolarHBondContact O-CG2 3.46Å; D464-H487 WeakPolarHBondContact OD1-CB 3.41Å; D464-H487 PolarHBondContact OD1-N 3.47Å; D464-H487 VanDerWaalsContact OD1-N 3.11Å |
| 465 | H | 94.3 | Very high | 89.2 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.8 | -41.8 | 172 | 179.1 | 69.6 | 0 | 0 | 0 | 113.3 | C442 L451 R461 L462 L463 M467 T468 H469 F529 | C442-H465 WeakPolarHBondContact CB-NE2 3.36Å; C442-H465 PolarHBondContact SG-NE2 3.15Å; L451-H465 HydrophobicContact CD1-CB 3.79Å; R461-H465 PolarHBondContact O-N 3.29Å; L462-H465 PolarHBondContact O-N 3.43Å; L463-H465 PolarHBondContact O-N 3.49Å; L463-H465 VanDerWaalsContact O-N 3.13Å; H465-M467 PolarHBondContact O-N 2.95Å; H465-T468 WeakPolarHBondContact O-CB 3.27Å; H465-T468 PolarHBondContact O-N 3.43Å; H465-T468 PolarHBondContact O-OG1 3.36Å; H465-H469 AromaticContact CD2-NE2 3.58Å; H465-H469 AromaticContact CE1-CE1 3.82Å; H465-H469 AromaticContact CE1-NE2 3.45Å; H465-H469 PolarHBondContact CE1-NE2 2.97Å; H465-H469 AromaticContact NE2-CE1 3.66Å; H465-H469 AromaticContact NE2-NE2 2.97Å; H465-H469 PolarHBondContact NE2-NE2 3.39Å; H465-H469 PolarHBondContact O-CD2 3.2Å; H465-F529 HydrophobicContact CB-CZ 4.29Å; H465-F529 AromaticContact CD2-CZ 3.52Å |
| 466 | A | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.5 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L462 L463 T468 H469 F525 F529 | L462-A466 PolarHBondContact O-N 3.16Å; L463-A466 WeakPolarHBondContact O-CA 3.49Å; L463-A466 WeakPolarHBondContact O-CB 3.43Å; L463-A466 PolarHBondContact O-N 3.37Å; A466-T468 PolarHBondContact O-N 2.95Å; A466-H469 PolarHBondContact O-N 3.34Å; A466-F525 HydrophobicContact CB-CB 4.38Å; A466-F525 HydrophobicContact CB-CD2 4.14Å; A466-F529 HydrophobicContact CB-CE2 4.34Å |
| 467 | M | 90.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -8.9 | 174 | -55.8 | -61.1 | -67.9 | 0 | 0 | 114.5 | L463 H465 C474 S485 I521 | L463-M467 HydrophobicContact CD1-CG 4.18Å; L463-M467 HydrophobicContact CD1-SD 4.1Å; L463-M467 HydrophobicContact CG-CG 4.45Å; L463-M467 VanDerWaalsContact O-CG 3.29Å; L463-M467 WeakPolarHBondContact O-CG 3.46Å; L463-M467 PolarHBondContact O-N 3.37Å; H465-M467 PolarHBondContact O-N 2.95Å; M467-C474 HydrophobicContact CE-CB 3.3Å; M467-S485 VanDerWaalsContact CB-O 3.32Å; M467-S485 WeakPolarHBondContact CB-O 3.45Å; M467-I521 HydrophobicContact CE-CD1 3.75Å; M467-I521 HydrophobicContact CE-CG1 4.4Å; M467-I521 HydrophobicContact SD-CD1 3.64Å; M467-I521 HydrophobicContact SD-CG1 3.92Å; M467-I521 HydrophobicContact SD-CG2 3.84Å |
| 468 | T | 92.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.9 | 173.8 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | D464 H465 A466 T486 | D464-T468 WeakPolarHBondContact O-CG2 3.46Å; H465-T468 WeakPolarHBondContact O-CB 3.27Å; H465-T468 PolarHBondContact O-N 3.43Å; H465-T468 PolarHBondContact O-OG1 3.36Å; A466-T468 PolarHBondContact O-N 2.95Å; T468-T486 HydrophobicContact CG2-CG2 4.37Å |
| 469 | H | 91.3 | Very high | 89.9 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -19.7 | 172.7 | -57.9 | -58.2 | 0 | 0 | 0 | 112.5 | F444 C447 H465 A466 C528 | F444-H469 HydrophobicContact CD1-CB 3.87Å; F444-H469 AromaticContact CD1-CG 3.58Å; F444-H469 AromaticContact CD1-ND1 3.53Å; F444-H469 HydrophobicContact CD2-CB 4.09Å; F444-H469 AromaticContact CD2-CG 4Å; F444-H469 HydrophobicContact CE1-CB 3.69Å; F444-H469 AromaticContact CE1-CG 3.94Å; F444-H469 HydrophobicContact CE2-CB 3.9Å; F444-H469 HydrophobicContact CG-CB 4.08Å; F444-H469 AromaticContact CG-CD2 3.99Å; F444-H469 AromaticContact CG-CG 3.62Å; F444-H469 AromaticContact CG-ND1 3.89Å; F444-H469 HydrophobicContact CZ-CB 3.7Å; C447-H469 PolarHBondContact SG-CE1 3.31Å; H465-H469 AromaticContact CD2-NE2 3.58Å; H465-H469 AromaticContact CE1-CE1 3.82Å; H465-H469 AromaticContact CE1-NE2 3.45Å; H465-H469 PolarHBondContact CE1-NE2 2.97Å; H465-H469 AromaticContact NE2-CE1 3.66Å; H465-H469 AromaticContact NE2-NE2 2.97Å; H465-H469 PolarHBondContact NE2-NE2 3.39Å; H465-H469 PolarHBondContact O-CD2 3.2Å; A466-H469 PolarHBondContact O-N 3.34Å; H469-C528 PolarHBondContact CD2-SG 2.81Å |
| 470 | E | 88.6 | Confident | 90.1 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | trans | -84.8 | 116.4 | 171 | -151.9 | 65.9 | -171.9 | 0 | 0 | 109 | E472 L524 | E470-E472 HydrophobicContact CG-CB 4.43Å; E470-E472 PolarHBondContact O-N 3.04Å; E470-L524 HydrophobicContact CB-CD1 4.08Å; E470-L524 HydrophobicContact CG-CD1 4.18Å; E470-L524 WeakPolarHBondContact OE2-CD1 3.39Å; E470-L524 WeakPolarHBondContact OE2-CD2 3.38Å | ||
| 471 | N | 80.5 | Confident | 90.4 | Very high | 162 Ų | 162 | 65.4 Ų | 65.4 | 87% | 0.866 | 32% | 0.319 | S | S | * | . | trans | -71.9 | -18 | 177.4 | -67.8 | -45.3 | 0 | 0 | 0 | 112 | ||||
| 472 | E | 85.6 | Confident | 90.6 | Very high | 139 Ų | 139 | 62.9 Ų | 62.9 | 65% | 0.65 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -83.5 | 140 | -179.3 | -59.1 | -156.5 | 166.2 | 0 | 0 | 112.8 | E470 C474 | E470-E472 HydrophobicContact CG-CB 4.43Å; E470-E472 PolarHBondContact O-N 3.04Å; E472-C474 VanDerWaalsContact C-N 3.28Å; E472-C474 PolarHBondContact O-N 2.89Å; E472-C474 PolarHBondContact O-SG 3.45Å; E472-C474 VanDerWaalsContact O-SG 3.34Å |
| 473 | K | 81.9 | Confident | 90.5 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | trans | -79.1 | 76.3 | -176.7 | -67.3 | 173.3 | 176.4 | -180 | 0 | 111.1 | L475 S483 C484 | K473-L475 VanDerWaalsContact C-N 3.34Å; K473-L475 PolarHBondContact O-N 3.22Å; K473-S483 WeakPolarHBondContact CB-OG 3.38Å; K473-S483 WeakPolarHBondContact CD-OG 3.48Å; K473-C484 CarbonylContact C-O 3.42Å | ||
| 474 | C | 81.6 | Confident | 90.5 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | trans | -58.7 | -36.3 | -175.2 | -64.6 | 0 | 0 | 0 | 0 | 114.5 | M467 E472 V476 F516 | M467-C474 HydrophobicContact CE-CB 3.3Å; E472-C474 VanDerWaalsContact C-N 3.28Å; E472-C474 PolarHBondContact O-N 2.89Å; E472-C474 PolarHBondContact O-SG 3.45Å; E472-C474 VanDerWaalsContact O-SG 3.34Å; C474-V476 PolarHBondContact O-N 3.15Å; C474-F516 HydrophobicContact CB-CE1 4.01Å; C474-F516 HydrophobicContact CB-CE2 3.85Å; C474-F516 HydrophobicContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact O-CZ 3.23Å; C474-F516 WeakPolarHBondContact O-CZ 3.45Å | ||
| 475 | L | 87.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 103.1 | -174.8 | -56.6 | 179.1 | 0 | 0 | 0 | 110.2 | K473 S483 C484 H487 M490 F506 V511 I514 | K473-L475 VanDerWaalsContact C-N 3.34Å; K473-L475 PolarHBondContact O-N 3.22Å; L475-S483 CarbonylContact O-C 3.55Å; L475-S483 VanDerWaalsContact O-CA 3.28Å; L475-S483 WeakPolarHBondContact O-CA 3.45Å; L475-C484 WeakPolarHBondContact CA-O 3.48Å; L475-C484 WeakPolarHBondContact CB-O 3.38Å; L475-C484 PolarHBondContact N-O 2.83Å; L475-C484 PolarHBondContact O-N 3.45Å; L475-H487 HydrophobicContact CD1-CB 4.48Å; L475-M490 VanDerWaalsContact C-CE 3.45Å; L475-M490 HydrophobicContact CB-CE 3.84Å; L475-M490 WeakPolarHBondContact O-CE 3.35Å; L475-F506 HydrophobicContact CB-CE1 4.49Å; L475-F506 HydrophobicContact CD2-CD1 4.34Å; L475-F506 HydrophobicContact CD2-CE1 4.47Å; L475-V511 HydrophobicContact CD2-CG1 4.07Å; L475-V511 HydrophobicContact CD2-CG2 4.41Å; L475-I514 HydrophobicContact CD2-CD1 4.27Å |
| 476 | V | 91.1 | Very high | 90.1 | Very high | 83 Ų | 83 | 64.6 Ų | 64.6 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137.5 | 174.4 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | C474 M490 | C474-V476 PolarHBondContact O-N 3.15Å; V476-M490 VanDerWaalsContact C-CE 3.41Å |
| 477 | C | 93.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | trans | -70.2 | 149.4 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | T479 C480 Y482 M490 H493 Y494 | C477-T479 PolarHBondContact SG-N 3.31Å; C477-C480 CarbonylContact C-O 3.53Å; C477-C480 WeakPolarHBondContact CB-O 3.41Å; C477-C480 VanDerWaalsContact O-O 3.13Å; C477-Y482 WeakPolarHBondContact CB-O 3.46Å; C477-Y482 PolarHBondContact N-O 3.42Å; C477-M490 HydrophobicContact CB-CE 4.21Å; C477-M490 HydrophobicContact CB-SD 4Å; C477-H493 PolarHBondContact SG-NE2 2.98Å; C477-Y494 HydrophobicContact CB-CE2 4.41Å; C477-Y494 VanDerWaalsContact SG-CE2 3.53Å | ||
| 478 | R | 91.8 | Very high | 89.9 | Confident | 167 Ų | 167 | 69.9 Ų | 69.9 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -89.2 | -17.1 | 177.9 | -65.2 | -178.5 | 177.7 | 154.3 | 7.6 | 113.7 | Y494 D504 | R478-Y494 PolarHBondContact N-OH 3.45Å; R478-D504 PolarHBondContact NH1-O 2.98Å |
| 479 | T | 93.6 | Very high | 89.9 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -104.4 | -16.6 | -172.5 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | C477 H498 | C477-T479 PolarHBondContact SG-N 3.31Å; T479-H498 WeakPolarHBondContact CG2-ND1 3.41Å |
| 480 | C | 95.5 | Very high | 90 | Very high | 50 Ų | 50 | 68.8 Ų | 68.8 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -155 | 174.5 | 171.8 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | C477 Y482 H493 H498 | C477-C480 CarbonylContact C-O 3.53Å; C477-C480 WeakPolarHBondContact CB-O 3.41Å; C477-C480 VanDerWaalsContact O-O 3.13Å; C480-Y482 PolarHBondContact O-N 3.15Å; C480-H493 PolarHBondContact SG-CE1 3Å; C480-H493 PolarHBondContact SG-NE2 3.19Å; C480-H498 PolarHBondContact SG-NE2 3Å |
| 481 | E | 95.3 | Very high | 90.2 | Very high | 189 Ų | 189 | 72.5 Ų | 72.5 | 88% | 0.883 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -73.1 | 8.8 | -177.6 | -59.8 | 174.1 | 179.8 | 0 | 0 | 114.6 | S483 | E481-S483 PolarHBondContact O-N 3.18Š|
| 482 | Y | 95.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 71.5 Ų | 71.5 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | trans | -69 | 131.3 | -179.9 | 179.7 | -100.4 | 0 | 0 | 0 | 112 | C477 C480 C484 H493 | C477-Y482 WeakPolarHBondContact CB-O 3.46Å; C477-Y482 PolarHBondContact N-O 3.42Å; C480-Y482 PolarHBondContact O-N 3.15Å; Y482-C484 HydrophobicContact CE1-CB 3.75Å; Y482-H493 WeakPolarHBondContact CB-CE1 3.47Å; Y482-H493 HydrophobicContact CD1-CB 3.87Å; Y482-H493 AromaticContact CD1-CD2 3.69Å; Y482-H493 AromaticContact CD1-CE1 3.72Å; Y482-H493 AromaticContact CD1-CG 3.33Å; Y482-H493 AromaticContact CD1-ND1 3.35Å; Y482-H493 WeakPolarHBondContact CD1-ND1 3.47Å; Y482-H493 AromaticContact CD1-NE2 3.92Å; Y482-H493 HydrophobicContact CE1-CB 3.66Å; Y482-H493 AromaticContact CE1-CG 3.67Å; Y482-H493 AromaticContact CE1-ND1 3.86Å; Y482-H493 AromaticContact CG-CE1 3.54Å; Y482-H493 AromaticContact CG-CG 3.92Å; Y482-H493 AromaticContact CG-ND1 3.43Å | ||
| 483 | S | 93 | Very high | 91.4 | Very high | 35 Ų | 35 | 65.5 Ų | 65.5 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.9 | 173 | 64 | 0 | 0 | 0 | 0 | 112.5 | K473 L475 E481 | K473-S483 WeakPolarHBondContact CB-OG 3.38Å; K473-S483 WeakPolarHBondContact CD-OG 3.48Å; L475-S483 CarbonylContact O-C 3.55Å; L475-S483 VanDerWaalsContact O-CA 3.28Å; L475-S483 WeakPolarHBondContact O-CA 3.45Å; E481-S483 PolarHBondContact O-N 3.18Å |
| 484 | C | 91.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 168.8 | 177.5 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | K473 L475 Y482 Q489 | K473-C484 CarbonylContact C-O 3.42Å; L475-C484 WeakPolarHBondContact CA-O 3.48Å; L475-C484 WeakPolarHBondContact CB-O 3.38Å; L475-C484 PolarHBondContact N-O 2.83Å; L475-C484 PolarHBondContact O-N 3.45Å; Y482-C484 HydrophobicContact CE1-CB 3.75Å; C484-Q489 HydrophobicContact CB-CB 3.88Å |
| 485 | S | 89.1 | Confident | 92.7 | Very high | 31 Ų | 31 | 66 Ų | 66 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -92.7 | -28.8 | -179.4 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | M467 Q489 | M467-S485 VanDerWaalsContact CB-O 3.32Å; M467-S485 WeakPolarHBondContact CB-O 3.45Å; S485-Q489 PolarHBondContact OG-OE1 3.07Å |
| 486 | T | 88.6 | Confident | 93.2 | Very high | 23 Ų | 23 | 72.5 Ų | 72.5 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -119.7 | 145.7 | -170.4 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | T468 Q489 M490 | T468-T486 HydrophobicContact CG2-CG2 4.37Å; T486-Q489 WeakPolarHBondContact O-CB 3.41Å; T486-Q489 PolarHBondContact O-N 3.14Å; T486-Q489 VanDerWaalsContact OG1-CG 3.27Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-OE1 3.16Å; T486-M490 PolarHBondContact O-N 3.33Å |
| 487 | H | 89.6 | Confident | 93.5 | Very high | 40 Ų | 40 | 74 Ų | 74 | 19% | 0.185 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 179.3 | 175.3 | -64.7 | 0 | 0 | 0 | 113.4 | Q460 D464 L475 Q489 M490 K491 | Q460-H487 PolarHBondContact NE2-CD2 2.95Å; Q460-H487 PolarHBondContact NE2-CE1 3.43Å; Q460-H487 VanDerWaalsContact NE2-CE1 3.35Å; Q460-H487 PolarHBondContact NE2-ND1 3.37Å; Q460-H487 PolarHBondContact NE2-NE2 3Å; D464-H487 WeakPolarHBondContact OD1-CB 3.41Å; D464-H487 PolarHBondContact OD1-N 3.47Å; D464-H487 VanDerWaalsContact OD1-N 3.11Å; L475-H487 HydrophobicContact CD1-CB 4.48Å; H487-Q489 VanDerWaalsContact C-N 3.31Å; H487-Q489 PolarHBondContact O-N 3.47Å; H487-M490 PolarHBondContact O-N 3.31Å; H487-K491 PolarHBondContact O-N 2.86Å |
| 488 | P | 90.9 | Very high | 93.6 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 176.8 | -26.9 | 37.1 | 0 | 0 | 0 | 113.7 | K491 Y492 | P488-K491 PolarHBondContact O-N 3.33Å; P488-Y492 WeakPolarHBondContact O-CB 3.28Å; P488-Y492 PolarHBondContact O-N 3.4Å |
| 489 | Q | 92.6 | Very high | 93.8 | Very high | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.1 | -72.4 | 164.4 | -22.5 | 0 | 0 | 111 | C484 S485 T486 H487 Y492 H493 | C484-Q489 HydrophobicContact CB-CB 3.88Å; S485-Q489 PolarHBondContact OG-OE1 3.07Å; T486-Q489 WeakPolarHBondContact O-CB 3.41Å; T486-Q489 PolarHBondContact O-N 3.14Å; T486-Q489 VanDerWaalsContact OG1-CG 3.27Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-OE1 3.16Å; H487-Q489 VanDerWaalsContact C-N 3.31Å; H487-Q489 PolarHBondContact O-N 3.47Å; Q489-Y492 PolarHBondContact O-N 3.07Å; Q489-H493 WeakPolarHBondContact O-CB 3.36Å; Q489-H493 PolarHBondContact O-N 3.1Å |
| 490 | M | 93.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.9 | -170.8 | 57.1 | 78.5 | 0 | 0 | 111.9 | L475 V476 C477 T486 H487 Y492 H493 Y494 F506 | L475-M490 VanDerWaalsContact C-CE 3.45Å; L475-M490 HydrophobicContact CB-CE 3.84Å; L475-M490 WeakPolarHBondContact O-CE 3.35Å; V476-M490 VanDerWaalsContact C-CE 3.41Å; C477-M490 HydrophobicContact CB-CE 4.21Å; C477-M490 HydrophobicContact CB-SD 4Å; T486-M490 PolarHBondContact O-N 3.33Å; H487-M490 PolarHBondContact O-N 3.31Å; M490-Y492 PolarHBondContact O-N 3.31Å; M490-H493 WeakPolarHBondContact O-CB 3.35Å; M490-H493 PolarHBondContact O-N 3.32Å; M490-Y494 HydrophobicContact CG-CD2 4.01Å; M490-Y494 HydrophobicContact CG-CE2 4.02Å; M490-Y494 WeakPolarHBondContact O-CD2 3.28Å; M490-Y494 PolarHBondContact O-N 3.38Å; M490-Y494 HydrophobicContact SD-CD2 3.81Å; M490-Y494 HydrophobicContact SD-CE2 3.6Å; M490-F506 HydrophobicContact CE-CE1 4.17Å; M490-F506 HydrophobicContact CE-CZ 3.92Å; M490-F506 HydrophobicContact CG-CD1 4.38Å; M490-F506 HydrophobicContact CG-CD2 4.04Å; M490-F506 HydrophobicContact CG-CE1 3.93Å; M490-F506 HydrophobicContact CG-CE2 3.55Å; M490-F506 HydrophobicContact CG-CG 4.44Å; M490-F506 HydrophobicContact CG-CZ 3.49Å; M490-F506 VanDerWaalsContact CG-CZ 3.49Å; M490-F506 HydrophobicContact SD-CE2 4.31Å; M490-F506 HydrophobicContact SD-CZ 3.94Å |
| 491 | K | 93.2 | Very high | 93.9 | Very high | 126 Ų | 126 | 78.6 Ų | 78.6 | 55% | 0.548 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 177.3 | -173.2 | 175.9 | -179.7 | 176.7 | 0 | 112 | H487 P488 Q495 | H487-K491 PolarHBondContact O-N 2.86Å; P488-K491 PolarHBondContact O-N 3.33Å; K491-Q495 WeakPolarHBondContact O-CB 3.46Å; K491-Q495 PolarHBondContact O-N 3.2Å |
| 492 | Y | 95.4 | Very high | 93.5 | Very high | 142 Ų | 142 | 79.4 Ų | 79.4 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 175.3 | 178.4 | -99.5 | 0 | 0 | 0 | 112.2 | P488 Q489 M490 Q495 K496 | P488-Y492 WeakPolarHBondContact O-CB 3.28Å; P488-Y492 PolarHBondContact O-N 3.4Å; Q489-Y492 PolarHBondContact O-N 3.07Å; M490-Y492 PolarHBondContact O-N 3.31Å; Y492-Q495 PolarHBondContact O-N 3.46Å; Y492-K496 HydrophobicContact CE1-CD 4.06Å; Y492-K496 WeakPolarHBondContact O-CB 3.47Å; Y492-K496 PolarHBondContact O-N 3.02Å |
| 493 | H | 96 | Very high | 93.2 | Very high | 13 Ų | 13 | 76.7 Ų | 76.7 | 6% | 0.06 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 175 | 167.4 | 79.7 | 0 | 0 | 0 | 111.6 | C477 C480 Y482 Q489 M490 Q495 K496 M497 H498 | C477-H493 PolarHBondContact SG-NE2 2.98Å; C480-H493 PolarHBondContact SG-CE1 3Å; C480-H493 PolarHBondContact SG-NE2 3.19Å; Y482-H493 WeakPolarHBondContact CB-CE1 3.47Å; Y482-H493 HydrophobicContact CD1-CB 3.87Å; Y482-H493 AromaticContact CD1-CD2 3.69Å; Y482-H493 AromaticContact CD1-CE1 3.72Å; Y482-H493 AromaticContact CD1-CG 3.33Å; Y482-H493 AromaticContact CD1-ND1 3.35Å; Y482-H493 WeakPolarHBondContact CD1-ND1 3.47Å; Y482-H493 AromaticContact CD1-NE2 3.92Å; Y482-H493 HydrophobicContact CE1-CB 3.66Å; Y482-H493 AromaticContact CE1-CG 3.67Å; Y482-H493 AromaticContact CE1-ND1 3.86Å; Y482-H493 AromaticContact CG-CE1 3.54Å; Y482-H493 AromaticContact CG-CG 3.92Å; Y482-H493 AromaticContact CG-ND1 3.43Å; Q489-H493 WeakPolarHBondContact O-CB 3.36Å; Q489-H493 PolarHBondContact O-N 3.1Å; M490-H493 WeakPolarHBondContact O-CB 3.35Å; M490-H493 PolarHBondContact O-N 3.32Å; H493-Q495 PolarHBondContact O-N 2.95Å; H493-K496 PolarHBondContact O-N 2.88Å; H493-M497 WeakPolarHBondContact O-CB 3.4Å; H493-M497 PolarHBondContact O-N 3.16Å; H493-H498 AromaticContact CE1-NE2 3.94Å; H493-H498 AromaticContact NE2-CD2 3.52Å; H493-H498 AromaticContact NE2-NE2 3.31Å; H493-H498 PolarHBondContact NE2-NE2 2.85Å |
| 494 | Y | 95.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 80.1 Ų | 80.1 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 174.6 | -90.4 | -98.6 | 0 | 0 | 0 | 111.6 | C477 R478 M490 K496 H498 V501 C503 F506 | C477-Y494 HydrophobicContact CB-CE2 4.41Å; C477-Y494 VanDerWaalsContact SG-CE2 3.53Å; R478-Y494 PolarHBondContact N-OH 3.45Å; M490-Y494 HydrophobicContact CG-CD2 4.01Å; M490-Y494 HydrophobicContact CG-CE2 4.02Å; M490-Y494 WeakPolarHBondContact O-CD2 3.28Å; M490-Y494 PolarHBondContact O-N 3.38Å; M490-Y494 HydrophobicContact SD-CD2 3.81Å; M490-Y494 HydrophobicContact SD-CE2 3.6Å; Y494-K496 PolarHBondContact O-N 2.82Å; Y494-K496 VanDerWaalsContact O-N 3.16Å; Y494-H498 HydrophobicContact CD1-CB 4.1Å; Y494-H498 CarbonylContact O-C 3.01Å; Y494-H498 VanDerWaalsContact O-CA 3.28Å; Y494-H498 WeakPolarHBondContact O-CA 3.37Å; Y494-H498 PolarHBondContact O-N 3.35Å; Y494-V501 HydrophobicContact CE1-CG1 4.17Å; Y494-C503 HydrophobicContact CD1-CB 4.01Å; Y494-C503 HydrophobicContact CD2-CB 4.22Å; Y494-C503 VanDerWaalsContact CD2-SG 3.52Å; Y494-C503 HydrophobicContact CG-CB 3.76Å; Y494-F506 AromaticContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CZ 4.31Å |
| 495 | Q | 95.5 | Very high | 91.4 | Very high | 145 Ų | 145 | 80.5 Ų | 80.5 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.1 | -30.4 | 179.3 | -172.8 | 176.4 | 8.5 | 0 | 0 | 113.4 | K491 Y492 H493 | K491-Q495 WeakPolarHBondContact O-CB 3.46Å; K491-Q495 PolarHBondContact O-N 3.2Å; Y492-Q495 PolarHBondContact O-N 3.46Å; H493-Q495 PolarHBondContact O-N 2.95Å |
| 496 | K | 97.4 | Very high | 90.6 | Very high | 138 Ų | 138 | 79.9 Ų | 79.9 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -94.3 | -40.7 | -176.9 | -172.4 | 179 | -179.8 | -179 | 0 | 114 | Y492 H493 Y494 | Y492-K496 HydrophobicContact CE1-CD 4.06Å; Y492-K496 WeakPolarHBondContact O-CB 3.47Å; Y492-K496 PolarHBondContact O-N 3.02Å; H493-K496 PolarHBondContact O-N 2.88Å; Y494-K496 PolarHBondContact O-N 2.82Å; Y494-K496 VanDerWaalsContact O-N 3.16Å |
| 497 | M | 97.3 | Very high | 89.9 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 57% | 0.567 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -102.8 | -22.5 | -171.4 | -56.2 | -59.9 | -67.8 | 0 | 0 | 112.8 | H493 P499 | H493-M497 WeakPolarHBondContact O-CB 3.4Å; H493-M497 PolarHBondContact O-N 3.16Å; M497-P499 VanDerWaalsContact C-CD 3.49Å |
| 498 | H | 95.8 | Very high | 89 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 13% | 0.13 | 41% | 0.411 | C | S | . | . | trans | -135.1 | 53.5 | -176.2 | -53.4 | -49.1 | 0 | 0 | 0 | 111.4 | T479 C480 H493 Y494 E500 V501 | T479-H498 WeakPolarHBondContact CG2-ND1 3.41Å; C480-H498 PolarHBondContact SG-NE2 3Å; H493-H498 AromaticContact CE1-NE2 3.94Å; H493-H498 AromaticContact NE2-CD2 3.52Å; H493-H498 AromaticContact NE2-NE2 3.31Å; H493-H498 PolarHBondContact NE2-NE2 2.85Å; Y494-H498 HydrophobicContact CD1-CB 4.1Å; Y494-H498 CarbonylContact O-C 3.01Å; Y494-H498 VanDerWaalsContact O-CA 3.28Å; Y494-H498 WeakPolarHBondContact O-CA 3.37Å; Y494-H498 PolarHBondContact O-N 3.35Å; H498-E500 PolarHBondContact O-N 3.02Å; H498-E500 VanDerWaalsContact O-N 3.1Å; H498-V501 HydrophobicContact CB-CB 4.19Å; H498-V501 HydrophobicContact CB-CG2 4.49Å; H498-V501 PolarHBondContact O-N 3.33Å; H498-V501 VanDerWaalsContact O-O 3.09Å | ||
| 499 | P | 95.4 | Very high | 87.9 | Confident | 105 Ų | 105 | 86.8 Ų | 86.8 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.6 | -174.8 | 26.5 | -35.8 | 0 | 0 | 0 | 113.5 | M497 | M497-P499 VanDerWaalsContact C-CD 3.49Š|
| 500 | E | 96.1 | Very high | 87 | Confident | 192 Ų | 192 | 88.1 Ų | 88.1 | 90% | 0.897 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -21.4 | 176.3 | -61.8 | 175 | -176.2 | 0 | 0 | 113.4 | H498 | H498-E500 PolarHBondContact O-N 3.02Å; H498-E500 VanDerWaalsContact O-N 3.1Å |
| 501 | V | 94.5 | Very high | 86 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 40% | 0.4 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -107.7 | 116.9 | -173.9 | -174 | 0 | 0 | 0 | 0 | 109.7 | Y494 H498 C503 | Y494-V501 HydrophobicContact CE1-CG1 4.17Å; H498-V501 HydrophobicContact CB-CB 4.19Å; H498-V501 HydrophobicContact CB-CG2 4.49Å; H498-V501 PolarHBondContact O-N 3.33Å; H498-V501 VanDerWaalsContact O-O 3.09Å; V501-C503 PolarHBondContact O-N 3.45Å |
| 502 | R | 88.4 | Confident | 84.7 | Confident | 206 Ų | 206 | 83.6 Ų | 83.6 | 78% | 0.777 | 40% | 0.402 | S | S | * | . | trans | -60.4 | 138.7 | 173.1 | -61.6 | -173.9 | 112.6 | -177.4 | 4.7 | 110.1 | D504 | R502-D504 PolarHBondContact O-N 2.9Š| ||
| 503 | C | 87.4 | Confident | 83.3 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 25% | 0.25 | 39% | 0.394 | C | S | . | . | trans | -74.5 | 63.1 | 178.5 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | Y494 V501 F506 | Y494-C503 HydrophobicContact CD1-CB 4.01Å; Y494-C503 HydrophobicContact CD2-CB 4.22Å; Y494-C503 VanDerWaalsContact CD2-SG 3.52Å; Y494-C503 HydrophobicContact CG-CB 3.76Å; V501-C503 PolarHBondContact O-N 3.45Å; C503-F506 VanDerWaalsContact SG-CD2 3.59Å | ||
| 504 | D | 80.8 | Confident | 81.9 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 126.7 | -172.2 | -78.3 | -24.6 | 0 | 0 | 0 | 112.9 | R478 R502 | R478-D504 PolarHBondContact NH1-O 2.98Å; R502-D504 PolarHBondContact O-N 2.9Å |
| 505 | G | 67.5 | Low | 80 | Confident | 11 Ų | 11 | 90.5 Ų | 90.5 | 11% | 0.113 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 112.4 | 2.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N507 K510 | G505-N507 PolarHBondContact O-N 3.32Å; G505-N507 VanDerWaalsContact O-N 3.11Å; G505-K510 WeakPolarHBondContact O-CD 3.47Å |
| 506 | F | 70.8 | Confident | 78.2 | Confident | 18 Ų | 18 | 86.7 Ų | 86.7 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | trans | -80.5 | 32.8 | 167 | -62.9 | -81.9 | 0 | 0 | 0 | 112.8 | L475 M490 Y494 C503 I508 | L475-F506 HydrophobicContact CB-CE1 4.49Å; L475-F506 HydrophobicContact CD2-CD1 4.34Å; L475-F506 HydrophobicContact CD2-CE1 4.47Å; M490-F506 HydrophobicContact CE-CE1 4.17Å; M490-F506 HydrophobicContact CE-CZ 3.92Å; M490-F506 HydrophobicContact CG-CD1 4.38Å; M490-F506 HydrophobicContact CG-CD2 4.04Å; M490-F506 HydrophobicContact CG-CE1 3.93Å; M490-F506 HydrophobicContact CG-CE2 3.55Å; M490-F506 HydrophobicContact CG-CG 4.44Å; M490-F506 HydrophobicContact CG-CZ 3.49Å; M490-F506 VanDerWaalsContact CG-CZ 3.49Å; M490-F506 HydrophobicContact SD-CE2 4.31Å; M490-F506 HydrophobicContact SD-CZ 3.94Å; Y494-F506 AromaticContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CZ 4.31Å; C503-F506 VanDerWaalsContact SG-CD2 3.59Å; F506-I508 PolarHBondContact O-N 3.16Å | ||
| 507 | N | 74.1 | Confident | 75.9 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | trans | -56.7 | 136.5 | 172.4 | -75 | -2.6 | 0 | 0 | 0 | 109.3 | G505 Q509 K510 V511 | G505-N507 PolarHBondContact O-N 3.32Å; G505-N507 VanDerWaalsContact O-N 3.11Å; N507-Q509 PolarHBondContact O-N 3.27Å; N507-K510 HydrophobicContact CB-CD 4.47Å; N507-K510 HydrophobicContact CB-CG 4.43Å; N507-K510 WeakPolarHBondContact O-CA 3.48Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.14Å; N507-V511 PolarHBondContact O-N 3.15Å | ||
| 508 | I | 71.1 | Confident | 73.9 | Confident | 50 Ų | 50 | 92 Ų | 92 | 26% | 0.256 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -46.5 | -42 | -178.3 | -55.4 | 170.1 | 0 | 0 | 0 | 111.9 | Q460 L463 F506 V511 F512 | Q460-I508 HydrophobicContact CB-CD1 3.75Å; Q460-I508 HydrophobicContact CB-CG1 4.08Å; Q460-I508 HydrophobicContact CG-CG1 4.42Å; L463-I508 HydrophobicContact CD2-CG2 3.93Å; F506-I508 PolarHBondContact O-N 3.16Å; I508-V511 PolarHBondContact O-N 3.45Å; I508-F512 HydrophobicContact CG2-CD2 3.7Å; I508-F512 HydrophobicContact CG2-CE2 3.49Å; I508-F512 VanDerWaalsContact CG2-CE2 3.49Å; I508-F512 WeakPolarHBondContact O-CD2 3.32Å; I508-F512 PolarHBondContact O-N 3.23Å |
| 509 | Q | 69 | Low | 72.4 | Confident | 128 Ų | 128 | 92.9 Ų | 92.9 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.4 | -35.5 | 176.6 | -66.9 | -178.1 | 7.2 | 0 | 0 | 114 | N507 N513 | N507-Q509 PolarHBondContact O-N 3.27Å; Q509-N513 WeakPolarHBondContact O-CB 3.37Å; Q509-N513 PolarHBondContact O-N 3.08Å; Q509-N513 PolarHBondContact O-ND2 3.15Å; Q509-N513 PolarHBondContact O-OD1 3.4Å |
| 510 | K | 73.8 | Confident | 71.5 | Confident | 112 Ų | 112 | 89.6 Ų | 89.6 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 174.8 | -73 | 178.9 | 174 | 176.1 | 0 | 110.1 | G505 N507 N513 I514 | G505-K510 WeakPolarHBondContact O-CD 3.47Å; N507-K510 HydrophobicContact CB-CD 4.47Å; N507-K510 HydrophobicContact CB-CG 4.43Å; N507-K510 WeakPolarHBondContact O-CA 3.48Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.14Å; K510-N513 CarbonylContact O-C 3.46Å; K510-N513 PolarHBondContact O-N 3.17Å; K510-N513 VanDerWaalsContact O-N 3.1Å; K510-I514 WeakPolarHBondContact O-CG1 3.48Å; K510-I514 PolarHBondContact O-N 3.18Å |
| 511 | V | 71.3 | Confident | 70.9 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 5% | 0.048 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L463 L475 N507 I508 N513 I514 I521 | L463-V511 HydrophobicContact CD1-CG1 4.46Å; L463-V511 HydrophobicContact CD2-CB 3.97Å; L463-V511 HydrophobicContact CD2-CG1 3.83Å; L463-V511 HydrophobicContact CG-CG1 4.48Å; L475-V511 HydrophobicContact CD2-CG1 4.07Å; L475-V511 HydrophobicContact CD2-CG2 4.41Å; N507-V511 PolarHBondContact O-N 3.15Å; I508-V511 PolarHBondContact O-N 3.45Å; V511-N513 PolarHBondContact O-N 2.94Å; V511-I514 HydrophobicContact CG1-CD1 4.49Å; V511-I514 PolarHBondContact O-N 2.57Å; V511-I514 VanDerWaalsContact O-N 3.14Å; V511-I521 HydrophobicContact CG1-CD1 4.25Å |
| 512 | F | 65.9 | Low | 70.5 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 10% | 0.101 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.1 | -19 | 172.5 | -82.6 | -61 | 0 | 0 | 0 | 114.4 | L463 I508 I521 F525 I539 | L463-F512 HydrophobicContact CB-CE2 4.47Å; L463-F512 HydrophobicContact CB-CZ 4.13Å; L463-F512 HydrophobicContact CD1-CD1 4.29Å; L463-F512 HydrophobicContact CD1-CE1 3.79Å; L463-F512 HydrophobicContact CD1-CE2 4.46Å; L463-F512 HydrophobicContact CD1-CZ 3.87Å; L463-F512 HydrophobicContact CD2-CD2 4.32Å; L463-F512 HydrophobicContact CD2-CE2 4.05Å; L463-F512 HydrophobicContact CD2-CZ 4.25Å; L463-F512 HydrophobicContact CG-CZ 4.31Å; I508-F512 HydrophobicContact CG2-CD2 3.7Å; I508-F512 HydrophobicContact CG2-CE2 3.49Å; I508-F512 VanDerWaalsContact CG2-CE2 3.49Å; I508-F512 WeakPolarHBondContact O-CD2 3.32Å; I508-F512 PolarHBondContact O-N 3.23Å; F512-I521 HydrophobicContact CD1-CG2 4.07Å; F512-I521 HydrophobicContact CE1-CG2 4.32Å; F512-F525 HydrophobicContact CE1-CB 3.89Å; F512-F525 AromaticContact CE1-CD2 3.77Å; F512-F525 HydrophobicContact CE1-CD2 3.77Å; F512-F525 AromaticContact CE1-CG 3.89Å; F512-F525 HydrophobicContact CE1-CG 3.89Å; F512-F525 AromaticContact CZ-CD2 3.61Å; F512-F525 HydrophobicContact CZ-CD2 3.61Å; F512-F525 AromaticContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CG 4.08Å; F512-I539 HydrophobicContact CD1-CG2 4.47Å; F512-I539 HydrophobicContact CD2-CG2 4.05Å; F512-I539 HydrophobicContact CE1-CD1 3.78Å; F512-I539 HydrophobicContact CE2-CD1 4Å; F512-I539 HydrophobicContact CE2-CG1 4.3Å; F512-I539 HydrophobicContact CE2-CG2 4.11Å; F512-I539 HydrophobicContact CG-CG2 4.26Å; F512-I539 HydrophobicContact CZ-CD1 3.39Å; F512-I539 HydrophobicContact CZ-CG1 4.17Å; F512-I539 HydrophobicContact CZ-CG2 4.37Å |
| 513 | N | 65.3 | Low | 70.6 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 8.6 | 177.3 | -63.9 | -6.5 | 0 | 0 | 0 | 112.5 | Q509 K510 V511 E515 P542 | Q509-N513 WeakPolarHBondContact O-CB 3.37Å; Q509-N513 PolarHBondContact O-N 3.08Å; Q509-N513 PolarHBondContact O-ND2 3.15Å; Q509-N513 PolarHBondContact O-OD1 3.4Å; K510-N513 CarbonylContact O-C 3.46Å; K510-N513 PolarHBondContact O-N 3.17Å; K510-N513 VanDerWaalsContact O-N 3.1Å; V511-N513 PolarHBondContact O-N 2.94Å; N513-E515 VanDerWaalsContact C-N 3.35Å; N513-E515 PolarHBondContact O-N 3.42Å; N513-E515 VanDerWaalsContact O-N 3.11Å; N513-P542 WeakPolarHBondContact ND2-CB 3.45Å; N513-P542 VanDerWaalsContact OD1-CG 3.29Å; N513-P542 WeakPolarHBondContact OD1-CG 3.35Å |
| 514 | I | 66.2 | Low | 70.7 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 30% | 0.297 | 37% | 0.369 | S | S | . | . | trans | -77.4 | 98.6 | 166.4 | -49.2 | 173.1 | 0 | 0 | 0 | 105.7 | L475 K510 V511 F516 | L475-I514 HydrophobicContact CD2-CD1 4.27Å; K510-I514 WeakPolarHBondContact O-CG1 3.48Å; K510-I514 PolarHBondContact O-N 3.18Å; V511-I514 HydrophobicContact CG1-CD1 4.49Å; V511-I514 PolarHBondContact O-N 2.57Å; V511-I514 VanDerWaalsContact O-N 3.14Å; I514-F516 HydrophobicContact CB-CD2 4.27Å; I514-F516 HydrophobicContact CB-CE2 3.61Å; I514-F516 HydrophobicContact CB-CZ 4.19Å; I514-F516 HydrophobicContact CG2-CD2 3.86Å; I514-F516 HydrophobicContact CG2-CE1 4.19Å; I514-F516 HydrophobicContact CG2-CE2 3.22Å; I514-F516 HydrophobicContact CG2-CZ 3.4Å; I514-F516 WeakPolarHBondContact O-CD2 3.41Å; I514-F516 PolarHBondContact O-N 3.27Å | ||
| 515 | E | 55.9 | Low | 71.3 | Confident | 175 Ų | 175 | 68.3 Ų | 68.3 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | B | Isolated β-bridge | trans | -70.5 | 107.3 | 166.4 | -68.1 | 172.7 | -179.5 | 0 | 0 | 106.4 | N513 | N513-E515 VanDerWaalsContact C-N 3.35Å; N513-E515 PolarHBondContact O-N 3.42Å; N513-E515 VanDerWaalsContact O-N 3.11Å |
| 516 | F | 57.5 | Low | 72.5 | Confident | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | trans | -85.7 | 146.8 | 163.5 | -69.5 | -88.8 | 0 | 0 | 0 | 108 | C474 I514 E518 V519 I521 | C474-F516 HydrophobicContact CB-CE1 4.01Å; C474-F516 HydrophobicContact CB-CE2 3.85Å; C474-F516 HydrophobicContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact O-CZ 3.23Å; C474-F516 WeakPolarHBondContact O-CZ 3.45Å; I514-F516 HydrophobicContact CB-CD2 4.27Å; I514-F516 HydrophobicContact CB-CE2 3.61Å; I514-F516 HydrophobicContact CB-CZ 4.19Å; I514-F516 HydrophobicContact CG2-CD2 3.86Å; I514-F516 HydrophobicContact CG2-CE1 4.19Å; I514-F516 HydrophobicContact CG2-CE2 3.22Å; I514-F516 HydrophobicContact CG2-CZ 3.4Å; I514-F516 WeakPolarHBondContact O-CD2 3.41Å; I514-F516 PolarHBondContact O-N 3.27Å; F516-E518 PolarHBondContact O-N 3.11Å; F516-V519 PolarHBondContact O-N 3.39Å; F516-I521 HydrophobicContact CD2-CD1 3.97Å; F516-I521 HydrophobicContact CD2-CG1 4.15Å; F516-I521 HydrophobicContact CE2-CD1 3.52Å; F516-I521 HydrophobicContact CE2-CG1 4.19Å | ||
| 517 | D | 50.2 | Low | 73.7 | Confident | 175 Ų | 175 | 78.1 Ų | 78.1 | 94% | 0.936 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -60.4 | -18.9 | -161.7 | -68.2 | -56.1 | 0 | 0 | 0 | 115.1 | ||
| 518 | E | 54.8 | Low | 74.7 | Confident | 191 Ų | 191 | 73.1 Ų | 73.1 | 89% | 0.893 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -128.5 | -18.2 | -179.6 | -59 | -167.6 | 168.7 | 0 | 0 | 115.7 | F516 | F516-E518 PolarHBondContact O-N 3.11Š|
| 519 | V | 63.7 | Low | 75.9 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | trans | -140.1 | 117.3 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | F516 I521 L524 | F516-V519 PolarHBondContact O-N 3.39Å; V519-I521 PolarHBondContact O-N 3.32Å; V519-L524 HydrophobicContact CG1-CD1 4.06Å; V519-L524 HydrophobicContact CG1-CD2 4.05Å; V519-L524 HydrophobicContact CG1-CG 3.72Å | ||
| 520 | A | 77.9 | Confident | 77 | Confident | 36 Ų | 36 | 66 Ų | 66 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 129.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F522 D523 L524 | A520-F522 HydrophobicContact CB-CB 4.35Å; A520-F522 PolarHBondContact O-N 3.48Å; A520-D523 WeakPolarHBondContact O-CB 3.27Å; A520-D523 PolarHBondContact O-N 3.22Å; A520-L524 PolarHBondContact O-N 3.16Å |
| 521 | I | 83.4 | Confident | 78 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.6 | -29.2 | 171.8 | -72.8 | 171.1 | 0 | 0 | 0 | 111.7 | L463 M467 V511 F512 F516 V519 D523 L524 F525 | L463-I521 HydrophobicContact CD1-CG2 3.53Å; M467-I521 HydrophobicContact CE-CD1 3.75Å; M467-I521 HydrophobicContact CE-CG1 4.4Å; M467-I521 HydrophobicContact SD-CD1 3.64Å; M467-I521 HydrophobicContact SD-CG1 3.92Å; M467-I521 HydrophobicContact SD-CG2 3.84Å; V511-I521 HydrophobicContact CG1-CD1 4.25Å; F512-I521 HydrophobicContact CD1-CG2 4.07Å; F512-I521 HydrophobicContact CE1-CG2 4.32Å; F516-I521 HydrophobicContact CD2-CD1 3.97Å; F516-I521 HydrophobicContact CD2-CG1 4.15Å; F516-I521 HydrophobicContact CE2-CD1 3.52Å; F516-I521 HydrophobicContact CE2-CG1 4.19Å; V519-I521 PolarHBondContact O-N 3.32Å; I521-D523 VanDerWaalsContact C-N 3.33Å; I521-D523 PolarHBondContact O-N 3.48Å; I521-L524 PolarHBondContact O-N 3.15Å; I521-F525 WeakPolarHBondContact O-CB 3.45Å; I521-F525 PolarHBondContact O-N 3.19Å |
| 522 | F | 86.5 | Confident | 79 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 172.1 | -176.7 | -93.7 | 0 | 0 | 0 | 113.1 | A520 F525 Q526 I539 | A520-F522 HydrophobicContact CB-CB 4.35Å; A520-F522 PolarHBondContact O-N 3.48Å; F522-F525 PolarHBondContact O-N 3.5Å; F522-Q526 WeakPolarHBondContact O-CB 3.48Å; F522-Q526 PolarHBondContact O-N 3.16Å; F522-I539 HydrophobicContact CD2-CG2 4.35Å; F522-I539 HydrophobicContact CE2-CB 4.24Å; F522-I539 HydrophobicContact CE2-CG2 4.26Å |
| 523 | D | 89.4 | Confident | 80.2 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.1 | -38.2 | -179.3 | -62.6 | -29.7 | 0 | 0 | 0 | 111.3 | A520 I521 Q526 K527 | A520-D523 WeakPolarHBondContact O-CB 3.27Å; A520-D523 PolarHBondContact O-N 3.22Å; I521-D523 VanDerWaalsContact C-N 3.33Å; I521-D523 PolarHBondContact O-N 3.48Å; D523-Q526 PolarHBondContact O-N 3.36Å; D523-K527 WeakPolarHBondContact O-CB 3.26Å; D523-K527 VanDerWaalsContact O-CG 3.3Å; D523-K527 WeakPolarHBondContact O-CG 3.38Å; D523-K527 PolarHBondContact O-N 3.34Å |
| 524 | L | 90.6 | Very high | 81.4 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 169.6 | -66.6 | 170.9 | 0 | 0 | 0 | 111.1 | F444 E470 V519 A520 I521 Q526 K527 C528 | F444-L524 HydrophobicContact CE2-CD2 3.99Å; E470-L524 HydrophobicContact CB-CD1 4.08Å; E470-L524 HydrophobicContact CG-CD1 4.18Å; E470-L524 WeakPolarHBondContact OE2-CD1 3.39Å; E470-L524 WeakPolarHBondContact OE2-CD2 3.38Å; V519-L524 HydrophobicContact CG1-CD1 4.06Å; V519-L524 HydrophobicContact CG1-CD2 4.05Å; V519-L524 HydrophobicContact CG1-CG 3.72Å; A520-L524 PolarHBondContact O-N 3.16Å; I521-L524 PolarHBondContact O-N 3.15Å; L524-Q526 VanDerWaalsContact C-N 3.3Å; L524-Q526 PolarHBondContact O-N 3.27Å; L524-K527 PolarHBondContact O-N 3.48Å; L524-C528 WeakPolarHBondContact O-CB 3.32Å; L524-C528 PolarHBondContact O-N 3.1Å; L524-C528 PolarHBondContact O-SG 3.4Å |
| 525 | F | 93.1 | Very high | 82.6 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 175.7 | -168.9 | -74.8 | 0 | 0 | 0 | 111.7 | L462 A466 F512 I521 F522 C528 F529 I536 I539 | L462-F525 HydrophobicContact CB-CE2 3.57Å; L462-F525 HydrophobicContact CB-CZ 3.81Å; L462-F525 HydrophobicContact CD1-CZ 4.22Å; A466-F525 HydrophobicContact CB-CB 4.38Å; A466-F525 HydrophobicContact CB-CD2 4.14Å; F512-F525 HydrophobicContact CE1-CB 3.89Å; F512-F525 AromaticContact CE1-CD2 3.77Å; F512-F525 HydrophobicContact CE1-CD2 3.77Å; F512-F525 AromaticContact CE1-CG 3.89Å; F512-F525 HydrophobicContact CE1-CG 3.89Å; F512-F525 AromaticContact CZ-CD2 3.61Å; F512-F525 HydrophobicContact CZ-CD2 3.61Å; F512-F525 AromaticContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CG 4.08Å; I521-F525 WeakPolarHBondContact O-CB 3.45Å; I521-F525 PolarHBondContact O-N 3.19Å; F522-F525 PolarHBondContact O-N 3.5Å; F525-C528 PolarHBondContact O-N 3.29Å; F525-F529 HydrophobicContact CD1-CB 4.27Å; F525-F529 HydrophobicContact CD1-CD2 4.1Å; F525-F529 AromaticContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CE2 4.33Å; F525-F529 HydrophobicContact CE1-CB 3.76Å; F525-F529 AromaticContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CG 4.21Å; F525-F529 AromaticContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CE2 4.05Å; F525-F529 HydrophobicContact CG-CD2 4.14Å; F525-F529 HydrophobicContact CZ-CB 4.19Å; F525-F529 AromaticContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CE2 4.32Å; F525-F529 HydrophobicContact CZ-CG 4.2Å; F525-F529 PolarHBondContact O-N 3.27Å; F525-I536 HydrophobicContact CE1-CD1 4.47Å; F525-I536 HydrophobicContact CZ-CD1 4.46Å; F525-I536 HydrophobicContact CZ-CG2 4.38Å; F525-I539 HydrophobicContact CD1-CD1 3.24Å; F525-I539 HydrophobicContact CD2-CD1 4Å; F525-I539 HydrophobicContact CE1-CD1 3.23Å; F525-I539 HydrophobicContact CE1-CG1 4.39Å; F525-I539 HydrophobicContact CE2-CD1 3.95Å; F525-I539 HydrophobicContact CG-CD1 3.67Å; F525-I539 HydrophobicContact CZ-CD1 3.6Å |
| 526 | Q | 93 | Very high | 84.3 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.4 | -35.6 | 178.9 | -172 | 165.5 | -11.3 | 0 | 0 | 112.2 | F522 D523 L524 G530 | F522-Q526 WeakPolarHBondContact O-CB 3.48Å; F522-Q526 PolarHBondContact O-N 3.16Å; D523-Q526 PolarHBondContact O-N 3.36Å; L524-Q526 VanDerWaalsContact C-N 3.3Å; L524-Q526 PolarHBondContact O-N 3.27Å; Q526-G530 WeakPolarHBondContact O-CA 3.5Å; Q526-G530 PolarHBondContact O-N 2.9Å |
| 527 | K | 94.4 | Very high | 85.7 | Confident | 125 Ų | 125 | 60.1 Ų | 60.1 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 168.6 | -71.8 | 170.3 | -178.1 | 179.1 | 0 | 111.3 | F444 D523 L524 | F444-K527 HydrophobicContact CD2-CB 4.02Å; F444-K527 HydrophobicContact CE2-CB 4.4Å; F444-K527 HydrophobicContact CE2-CD 4.23Å; D523-K527 WeakPolarHBondContact O-CB 3.26Å; D523-K527 VanDerWaalsContact O-CG 3.3Å; D523-K527 WeakPolarHBondContact O-CG 3.38Å; D523-K527 PolarHBondContact O-N 3.34Å; L524-K527 PolarHBondContact O-N 3.48Å |
| 528 | C | 95.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.3 | -44.4 | -179.8 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | N443 H469 L524 F525 | N443-C528 PolarHBondContact N-O 3.35Å; H469-C528 PolarHBondContact CD2-SG 2.81Å; L524-C528 WeakPolarHBondContact O-CB 3.32Å; L524-C528 PolarHBondContact O-N 3.1Å; L524-C528 PolarHBondContact O-SG 3.4Å; F525-C528 PolarHBondContact O-N 3.29Å |
| 529 | F | 95.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -134 | 9 | -163.1 | -56.1 | -64.1 | 0 | 0 | 0 | 115 | I440 L451 L462 H465 A466 F525 A531 H532 S533 I536 | I440-F529 HydrophobicContact CG2-CD1 3.41Å; I440-F529 VanDerWaalsContact CG2-CD1 3.41Å; I440-F529 HydrophobicContact CG2-CE1 3.66Å; I440-F529 HydrophobicContact CG2-CG 4.47Å; L451-F529 HydrophobicContact CD1-CE1 3.91Å; L451-F529 HydrophobicContact CD1-CZ 3.7Å; L462-F529 HydrophobicContact CB-CD2 4.29Å; L462-F529 HydrophobicContact CB-CE2 3.87Å; L462-F529 HydrophobicContact CB-CZ 4.14Å; L462-F529 HydrophobicContact CD2-CE1 4.07Å; L462-F529 HydrophobicContact CD2-CZ 3.98Å; L462-F529 WeakPolarHBondContact O-CE2 3.35Å; H465-F529 HydrophobicContact CB-CZ 4.29Å; H465-F529 AromaticContact CD2-CZ 3.52Å; A466-F529 HydrophobicContact CB-CE2 4.34Å; F525-F529 HydrophobicContact CD1-CB 4.27Å; F525-F529 HydrophobicContact CD1-CD2 4.1Å; F525-F529 AromaticContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CE2 4.33Å; F525-F529 HydrophobicContact CE1-CB 3.76Å; F525-F529 AromaticContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CG 4.21Å; F525-F529 AromaticContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CE2 4.05Å; F525-F529 HydrophobicContact CG-CD2 4.14Å; F525-F529 HydrophobicContact CZ-CB 4.19Å; F525-F529 AromaticContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CE2 4.32Å; F525-F529 HydrophobicContact CZ-CG 4.2Å; F525-F529 PolarHBondContact O-N 3.27Å; F529-A531 PolarHBondContact O-N 3.18Å; F529-H532 CarbonylContact O-C 3.43Å; F529-H532 WeakPolarHBondContact O-CA 3.36Å; F529-H532 PolarHBondContact O-N 3.04Å; F529-S533 PolarHBondContact O-N 2.85Å; F529-I536 HydrophobicContact CB-CD1 3.72Å; F529-I536 HydrophobicContact CG-CD1 4.32Å |
| 530 | G | 93.4 | Very high | 87.9 | Confident | 26 Ų | 26 | 51.3 Ų | 51.3 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -54.9 | -37.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q526 H532 S533 | Q526-G530 WeakPolarHBondContact O-CA 3.5Å; Q526-G530 PolarHBondContact O-N 2.9Å; G530-H532 PolarHBondContact O-N 3.27Å; G530-S533 VanDerWaalsContact O-CB 3.22Å; G530-S533 WeakPolarHBondContact O-CB 3.4Å; G530-S533 PolarHBondContact O-N 3.38Å; G530-S533 PolarHBondContact O-OG 3.3Å |
| 531 | A | 94.3 | Very high | 86.9 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -62.8 | -24.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F529 | F529-A531 PolarHBondContact O-N 3.18Š|
| 532 | H | 93.2 | Very high | 85.1 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 17% | 0.167 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -101.6 | 8.3 | 179.4 | -67.8 | -64.3 | 0 | 0 | 0 | 113.3 | I440 K441 F529 G530 S534 I535 I536 | I440-H532 HydrophobicContact CG2-CB 4.17Å; K441-H532 PolarHBondContact N-NE2 3.38Å; K441-H532 PolarHBondContact O-CD2 3.5Å; K441-H532 VanDerWaalsContact O-CD2 3.25Å; K441-H532 PolarHBondContact O-NE2 2.99Å; F529-H532 CarbonylContact O-C 3.43Å; F529-H532 WeakPolarHBondContact O-CA 3.36Å; F529-H532 PolarHBondContact O-N 3.04Å; G530-H532 PolarHBondContact O-N 3.27Å; H532-S534 VanDerWaalsContact C-N 3.26Å; H532-S534 PolarHBondContact O-N 3Å; H532-I535 PolarHBondContact O-N 3.36Å; H532-I536 HydrophobicContact CB-CD1 3.78Å; H532-I536 HydrophobicContact CB-CG1 4.39Å; H532-I536 WeakPolarHBondContact O-CG1 3.4Å; H532-I536 PolarHBondContact O-N 3.22Å |
| 533 | S | 90.1 | Very high | 83 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -53.3 | -36.8 | -179.3 | 53.6 | 0 | 0 | 0 | 0 | 114 | F529 G530 I535 G537 | F529-S533 PolarHBondContact O-N 2.85Å; G530-S533 VanDerWaalsContact O-CB 3.22Å; G530-S533 WeakPolarHBondContact O-CB 3.4Å; G530-S533 PolarHBondContact O-N 3.38Å; G530-S533 PolarHBondContact O-OG 3.3Å; S533-I535 VanDerWaalsContact C-N 3.26Å; S533-I535 PolarHBondContact O-N 3Å; S533-G537 CarbonylContact O-C 3.57Å; S533-G537 WeakPolarHBondContact O-CA 3.27Å; S533-G537 PolarHBondContact O-N 3.46Å |
| 534 | S | 91.1 | Very high | 80.8 | Confident | 119 Ų | 119 | 76.9 Ų | 76.9 | 83% | 0.832 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -27.7 | 175.8 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | H532 | H532-S534 VanDerWaalsContact C-N 3.26Å; H532-S534 PolarHBondContact O-N 3Å |
| 535 | I | 91.7 | Very high | 78.4 | Confident | 74 Ų | 74 | 85.9 Ų | 85.9 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -92.8 | -44.5 | -179 | -60 | 174 | 0 | 0 | 0 | 110.6 | H438 H532 S533 G537 | H438-I535 HydrophobicContact CB-CG2 4.05Å; H438-I535 WeakPolarHBondContact ND1-CG2 3.27Å; H532-I535 PolarHBondContact O-N 3.36Å; S533-I535 VanDerWaalsContact C-N 3.26Å; S533-I535 PolarHBondContact O-N 3Å; I535-G537 PolarHBondContact O-N 3.34Å |
| 536 | I | 90.5 | Very high | 75.6 | Confident | 10 Ų | 10 | 94.5 Ų | 94.5 | 5% | 0.051 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.5 | -23.1 | 178.9 | -59.4 | 161.6 | 0 | 0 | 0 | 110.5 | I440 W453 K459 L462 F525 F529 H532 | I440-I536 HydrophobicContact CD1-CD1 4.05Å; I440-I536 HydrophobicContact CD1-CG1 3.7Å; W453-I536 HydrophobicContact CZ3-CG1 4.5Å; K459-I536 HydrophobicContact CD-CG2 3.94Å; K459-I536 WeakPolarHBondContact CE-O 3.01Å; K459-I536 HydrophobicContact CG-CG2 4.33Å; K459-I536 PolarHBondContact NZ-O 3.2Å; L462-I536 HydrophobicContact CD1-CD1 3.82Å; L462-I536 HydrophobicContact CD1-CG1 3.79Å; L462-I536 HydrophobicContact CD1-CG2 3.98Å; F525-I536 HydrophobicContact CE1-CD1 4.47Å; F525-I536 HydrophobicContact CZ-CD1 4.46Å; F525-I536 HydrophobicContact CZ-CG2 4.38Å; F529-I536 HydrophobicContact CB-CD1 3.72Å; F529-I536 HydrophobicContact CG-CD1 4.32Å; H532-I536 HydrophobicContact CB-CD1 3.78Å; H532-I536 HydrophobicContact CB-CG1 4.39Å; H532-I536 WeakPolarHBondContact O-CG1 3.4Å; H532-I536 PolarHBondContact O-N 3.22Å |
| 537 | G | 87.4 | Confident | 72.9 | Confident | 34 Ų | 34 | 98.3 Ų | 98.3 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | trans | 69.2 | 155.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 111 | K459 S533 I535 I539 | K459-G537 PolarHBondContact NZ-O 3.33Å; S533-G537 CarbonylContact O-C 3.57Å; S533-G537 WeakPolarHBondContact O-CA 3.27Å; S533-G537 PolarHBondContact O-N 3.46Å; I535-G537 PolarHBondContact O-N 3.34Å; G537-I539 PolarHBondContact O-N 2.93Å | ||
| 538 | N | 81 | Confident | 70 | Confident | 142 Ų | 142 | 97.5 Ų | 97.5 | 76% | 0.759 | 50% | 0.504 | S | S | * | . | trans | -50.3 | 127.8 | 176.1 | -68.9 | -13.9 | 0 | 0 | 0 | 110.5 | K459 G540 | K459-N538 PolarHBondContact NZ-O 3.11Å; N538-G540 PolarHBondContact O-N 2.9Å; N538-G540 VanDerWaalsContact O-N 3.12Å | ||
| 539 | I | 75.8 | Confident | 67.3 | Low | 30 Ų | 30 | 106.8 Ų | 106.8 | 15% | 0.154 | 54% | 0.544 | C | S | . | . | trans | -67.5 | 108.5 | 155.8 | -69 | 157.7 | 0 | 0 | 0 | 103.6 | K459 F512 F522 F525 G537 K541 | K459-I539 HydrophobicContact CD-CG1 3.82Å; F512-I539 HydrophobicContact CD1-CG2 4.47Å; F512-I539 HydrophobicContact CD2-CG2 4.05Å; F512-I539 HydrophobicContact CE1-CD1 3.78Å; F512-I539 HydrophobicContact CE2-CD1 4Å; F512-I539 HydrophobicContact CE2-CG1 4.3Å; F512-I539 HydrophobicContact CE2-CG2 4.11Å; F512-I539 HydrophobicContact CG-CG2 4.26Å; F512-I539 HydrophobicContact CZ-CD1 3.39Å; F512-I539 HydrophobicContact CZ-CG1 4.17Å; F512-I539 HydrophobicContact CZ-CG2 4.37Å; F522-I539 HydrophobicContact CD2-CG2 4.35Å; F522-I539 HydrophobicContact CE2-CB 4.24Å; F522-I539 HydrophobicContact CE2-CG2 4.26Å; F525-I539 HydrophobicContact CD1-CD1 3.24Å; F525-I539 HydrophobicContact CD2-CD1 4Å; F525-I539 HydrophobicContact CE1-CD1 3.23Å; F525-I539 HydrophobicContact CE1-CG1 4.39Å; F525-I539 HydrophobicContact CE2-CD1 3.95Å; F525-I539 HydrophobicContact CG-CD1 3.67Å; F525-I539 HydrophobicContact CZ-CD1 3.6Å; G537-I539 PolarHBondContact O-N 2.93Å; I539-K541 PolarHBondContact O-N 3.47Å; I539-K541 VanDerWaalsContact O-N 3.14Å | ||
| 540 | G | 58.3 | Low | 64.6 | Low | 56 Ų | 56 | 113 Ų | 113 | 58% | 0.577 | 58% | 0.577 | S | S | * | * | trans | -57.9 | 124.9 | 178 | 0 | 0 | 0 | 0 | 0 | 107.8 | N538 | N538-G540 PolarHBondContact O-N 2.9Å; N538-G540 VanDerWaalsContact O-N 3.12Å | ||
| 541 | K | 55.8 | Low | 62.2 | Low | 172 Ų | 172 | 116.1 Ų | 116.1 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | trans | -41.8 | 128.7 | 153.7 | -64.7 | -172.5 | 177.6 | -170 | 0 | 105.6 | I539 R543 | I539-K541 PolarHBondContact O-N 3.47Å; I539-K541 VanDerWaalsContact O-N 3.14Å; K541-R543 PolarHBondContact O-N 3.13Å | ||
| 542 | P | 47 | Very low | 59.6 | Low | 59 Ų | 59 | 121.7 Ų | 121.7 | 38% | 0.383 | 61% | 0.614 | S | S | . | * | trans | -47.9 | 122.4 | -173 | 21.7 | -35.6 | 0 | 0 | 0 | 107.6 | N513 R544 | N513-P542 WeakPolarHBondContact ND2-CB 3.45Å; N513-P542 VanDerWaalsContact OD1-CG 3.29Å; N513-P542 WeakPolarHBondContact OD1-CG 3.35Å; P542-R544 PolarHBondContact O-N 3.16Å | ||
| 543 | R | 42.5 | Very low | 57.3 | Low | 236 Ų | 236 | 128.1 Ų | 128.1 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | trans | -48 | 111.8 | 175.7 | -107.8 | -176.7 | 173.5 | 169.3 | -1.7 | 104.3 | K541 Y545 | K541-R543 PolarHBondContact O-N 3.13Å; R543-Y545 VanDerWaalsContact C-N 3.34Å; R543-Y545 PolarHBondContact O-N 3.28Å | ||
| 544 | R | 41.7 | Very low | 54.9 | Low | 245 Ų | 245 | 132.7 Ų | 132.7 | 93% | 0.925 | 66% | 0.662 | S | S | * | * | trans | -49.5 | 107.1 | -175.8 | -76.5 | -176 | -179.8 | 173.6 | -0.2 | 105.4 | P542 K546 | P542-R544 PolarHBondContact O-N 3.16Å; R544-K546 PolarHBondContact O-N 3.44Å | ||
| 545 | Y | 40.8 | Very low | 52.2 | Low | 196 Ų | 196 | 133.7 Ų | 133.7 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | -57.4 | 113.3 | 179.4 | -94.1 | -97.1 | 0 | 0 | 0 | 103.8 | R543 K547 | R543-Y545 VanDerWaalsContact C-N 3.34Å; R543-Y545 PolarHBondContact O-N 3.28Å; Y545-K547 VanDerWaalsContact C-N 3.33Å; Y545-K547 PolarHBondContact O-N 3.26Å | ||
| 546 | K | 34.3 | Very low | 50.2 | Low | 194 Ų | 194 | 135.3 Ų | 135.3 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -55.3 | 109.9 | 172 | -84 | -175.7 | 173.8 | -179.1 | 0 | 103.6 | R544 C548 | R544-K546 PolarHBondContact O-N 3.44Å; K546-C548 VanDerWaalsContact C-N 3.29Å; K546-C548 PolarHBondContact O-N 3.47Å | ||
| 547 | K | 36.2 | Very low | 47.9 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -56 | 101.2 | 177.1 | -86.8 | -175.3 | 172 | -179.7 | 0 | 106 | Y545 K549 | Y545-K547 VanDerWaalsContact C-N 3.33Å; Y545-K547 PolarHBondContact O-N 3.26Å; K547-K549 PolarHBondContact O-N 3.09Å | ||
| 548 | C | 33.6 | Very low | 46.1 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | trans | -63.4 | 97 | 165.1 | -72.5 | 0 | 0 | 0 | 0 | 105.1 | K546 N550 | K546-C548 VanDerWaalsContact C-N 3.29Å; K546-C548 PolarHBondContact O-N 3.47Å; C548-N550 PolarHBondContact O-N 3.17Å | ||
| 549 | K | 40.2 | Very low | 44.3 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -71.2 | 62 | 171.5 | -74.1 | -173.4 | 173.4 | -175.3 | 0 | 108.7 | K547 S551 | K547-K549 PolarHBondContact O-N 3.09Å; K549-S551 PolarHBondContact O-N 3.49Å | ||
| 550 | N | 37.3 | Very low | 43 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -86.3 | 89.6 | 174 | -75 | 16.3 | 0 | 0 | 0 | 107.8 | C548 L552 | C548-N550 PolarHBondContact O-N 3.17Å; N550-L552 PolarHBondContact O-N 3.48Å | ||
| 551 | S | 43.2 | Very low | 42.6 | Very low | 91 Ų | 91 | 159 Ų | 159 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 33.2 | 85 | 143.4 | 59 | 0 | 0 | 0 | 0 | 117.1 | K549 K553 | K549-S551 PolarHBondContact O-N 3.49Å; S551-K553 VanDerWaalsContact C-N 3.32Å; S551-K553 PolarHBondContact O-N 3.44Å | ||
| 552 | L | 39.9 | Very low | 42.2 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 98% | 0.979 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 98.2 | 136.5 | -132.6 | 78.1 | 0 | 0 | 0 | 106.1 | N550 | N550-L552 PolarHBondContact O-N 3.48Š| ||
| 553 | K | 44.1 | Very low | 42.3 | Very low | 172 Ų | 172 | 160.7 Ų | 160.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -115.1 | 117.9 | 168.3 | -93.6 | -169.8 | 174 | -175.1 | 0 | 108.3 | S551 | S551-K553 VanDerWaalsContact C-N 3.32Å; S551-K553 PolarHBondContact O-N 3.44Å | ||
| 554 | N | 40.2 | Very low | 42.7 | Very low | 145 Ų | 145 | 156.6 Ų | 156.6 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 57.6 | 98.9 | 147.3 | -50.1 | 10.2 | 0 | 0 | 0 | 117.1 | ||||
| 555 | T | 35.6 | Very low | 43.2 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 139.8 | 132.5 | 34.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 556 | P | 48.2 | Very low | 43.7 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 151.4 | -167.2 | 32.9 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 557 | E | 42.2 | Very low | 44.4 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.7 | 158.2 | -66.7 | 164.8 | 150.7 | 0 | 0 | 108.8 | ||
| 558 | V | 50.3 | Low | 45.2 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -113.2 | 95.4 | 169.2 | 178 | 0 | 0 | 0 | 0 | 107 | ||||
| 559 | D | 44.2 | Very low | 45.7 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -100.2 | 135.1 | 175.7 | -104.8 | -5.8 | 0 | 0 | 0 | 110.4 | ||||
| 560 | N | 47.1 | Very low | 46.6 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 116.8 | 157.2 | -58.2 | -54.5 | 0 | 0 | 0 | 120.5 | ||||
| 561 | E | 49.9 | Very low | 47.4 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | -163.2 | 109.9 | 108.5 | -99.8 | 170.1 | -163 | 0 | 0 | 106.9 | |||||
| 562 | N | 48.2 | Very low | 48.2 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | 63 | 144.4 | 82.3 | -93.4 | -36.6 | 0 | 0 | 0 | 115.9 | |||||
| 563 | V | 48.1 | Very low | 49.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 77.4 | 124.7 | -179.9 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 564 | D | 51.5 | Low | 49.5 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | cis | -140.7 | 168.5 | 34 | -130.4 | -33 | 0 | 0 | 0 | 115.8 | ||||
| 565 | K | 51.6 | Low | 50 | Low | 180 Ų | 180 | 146.1 Ų | 146.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 142.4 | 173.3 | -62.5 | 166.5 | -179.7 | 168.4 | 0 | 110.3 | ||||
| 566 | D | 50.9 | Low | 50.7 | Low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | -174.1 | 143.9 | 118.4 | -96.6 | -21.3 | 0 | 0 | 0 | 112.7 | |||||
| 567 | S | 50.5 | Low | 50.8 | Low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -101.9 | 149.6 | 168 | -60 | 0 | 0 | 0 | 0 | 109 | ||||
| 568 | P | 52.7 | Low | 51.3 | Low | 134 Ų | 134 | 146.4 Ų | 146.4 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | -136.2 | 151.4 | 88.2 | 33.6 | -19.3 | 0 | 0 | 0 | 111.5 | |||||
| 569 | G | 43.4 | Very low | 51.4 | Low | 66 Ų | 66 | 147 Ų | 147 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | cis | 121.6 | 104.2 | 31.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 570 | P | 59.2 | Low | 51.8 | Low | 134 Ų | 134 | 148 Ų | 148 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 124.6 | -172.5 | 31.4 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 571 | S | 54.6 | Low | 52.2 | Low | 121 Ų | 121 | 149.4 Ų | 149.4 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.9 | 173.1 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 572 | H | 59.8 | Low | 52.3 | Low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.787 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.1 | 168.1 | -109.6 | -85.4 | 0 | 0 | 0 | 111.6 | ||
| 573 | D | 58.9 | Low | 52.6 | Low | 129 Ų | 129 | 147.2 Ų | 147.2 | 69% | 0.69 | 83% | 0.827 | S | S | * | * | trans | 30.6 | 156.5 | 143.4 | -56 | -37.5 | 0 | 0 | 0 | 124.4 | ||||
| 574 | L | 52.9 | Low | 53 | Low | 154 Ų | 154 | 148.8 Ų | 148.8 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | trans | 82.8 | 93.5 | 163.5 | -52.7 | 175.3 | 0 | 0 | 0 | 117.2 | ||||
| 575 | F | 50.1 | Low | 53.1 | Low | 274 Ų | 274 | 148.7 Ų | 148.7 | 100% | 1.202 | 84% | 0.835 | S | S | * | * | -166 | 0 | 91 | -110.7 | -78.2 | 0 | 0 | 0 | 112.6 |
Retrieved 575 of 575 residues in 63.6 ms
(Link to these results)