| 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 | 40 | Very low | 70 | Confident | 246 Ų | 246 | 80 Ų | 80 | 100% | 1.212 | 44% | 0.44 | S | S | * | . | 0 | 116.7 | 0 | -73.5 | 177.5 | -172.1 | 0 | 0 | 105.2 | |||||
| 2 | S | 47.6 | Very low | 71.3 | Confident | 64 Ų | 64 | 89.3 Ų | 89.3 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | trans | -57.5 | 162.4 | -162.6 | 15.8 | 0 | 0 | 0 | 0 | 115 | V4 E31 | S2-V4 VanDerWaalsContact C-N 3.33Å; S2-V4 PolarHBondContact O-N 3.34Å; S2-E31 WeakPolarHBondContact CB-OE2 3.28Å; S2-E31 PolarHBondContact OG-OE2 3.14Å | ||
| 3 | N | 62.9 | Low | 72.4 | Confident | 152 Ų | 152 | 91.5 Ų | 91.5 | 81% | 0.813 | 48% | 0.478 | S | S | * | . | trans | -54.4 | 87.1 | 173.1 | -84.2 | -20.1 | 0 | 0 | 0 | 111.4 | P5 Y97 | N3-P5 VanDerWaalsContact O-CD 3.31Å; N3-P5 WeakPolarHBondContact O-CD 3.5Å; N3-Y97 WeakPolarHBondContact O-CD2 3.27Å; N3-Y97 WeakPolarHBondContact O-CE2 3.31Å | ||
| 4 | V | 70.6 | Confident | 73.5 | Confident | 67 Ų | 67 | 90.3 Ų | 90.3 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | trans | -86 | 111 | 168.8 | 178 | 0 | 0 | 0 | 0 | 107.2 | S2 Y10 | S2-V4 VanDerWaalsContact C-N 3.33Å; S2-V4 PolarHBondContact O-N 3.34Å; V4-Y10 HydrophobicContact CG1-CD2 4.5Å; V4-Y10 HydrophobicContact CG1-CE1 3.78Å; V4-Y10 HydrophobicContact CG1-CE2 3.66Å; V4-Y10 WeakPolarHBondContact CG1-OH 3.45Å | ||
| 5 | P | 74.3 | Confident | 74.5 | Confident | 24 Ų | 24 | 84.7 Ų | 84.7 | 16% | 0.156 | 44% | 0.44 | C | S | . | . | trans | -63.9 | 137.8 | -174.3 | -17.3 | 26.2 | 0 | 0 | 0 | 113.3 | N3 E7 L8 Y10 Y97 | N3-P5 VanDerWaalsContact O-CD 3.31Å; N3-P5 WeakPolarHBondContact O-CD 3.5Å; P5-E7 VanDerWaalsContact C-N 3.32Å; P5-E7 VanDerWaalsContact CB-CD 3.43Å; P5-E7 VanDerWaalsContact CB-OE1 3.27Å; P5-E7 WeakPolarHBondContact CB-OE1 3.22Å; P5-E7 WeakPolarHBondContact CB-OE2 3.48Å; P5-E7 PolarHBondContact O-N 2.78Å; P5-L8 HydrophobicContact CB-CD1 3.89Å; P5-L8 HydrophobicContact CB-CG 3.99Å; P5-L8 HydrophobicContact CG-CD1 3.68Å; P5-L8 HydrophobicContact CG-CG 4.35Å; P5-Y10 WeakPolarHBondContact CD-OH 3.47Å; P5-Y10 VanDerWaalsContact N-OH 3.12Å; P5-Y10 PolarHBondContact O-OH 3.15Å; P5-Y97 HydrophobicContact CG-CD1 3.84Å; P5-Y97 HydrophobicContact CG-CD2 4.15Å; P5-Y97 HydrophobicContact CG-CG 3.59Å | ||
| 6 | A | 69.1 | Low | 75.3 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 56% | 0.562 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q120 | A6-Q120 HydrophobicContact CB-CG 4.13Å; A6-Q120 WeakPolarHBondContact O-CG 3.48Å; A6-Q120 PolarHBondContact O-NE2 3.47Å |
| 7 | E | 73.9 | Confident | 75.9 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -17.3 | 177.1 | 69.9 | -80 | -168.8 | 0 | 0 | 113.1 | P5 | P5-E7 VanDerWaalsContact C-N 3.32Å; P5-E7 VanDerWaalsContact CB-CD 3.43Å; P5-E7 VanDerWaalsContact CB-OE1 3.27Å; P5-E7 WeakPolarHBondContact CB-OE1 3.22Å; P5-E7 WeakPolarHBondContact CB-OE2 3.48Å; P5-E7 PolarHBondContact O-N 2.78Å |
| 8 | L | 81.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -88.6 | 148.9 | -178.3 | -55.1 | 178.7 | 0 | 0 | 0 | 111.1 | P5 Y10 W16 R18 Y97 Q120 | P5-L8 HydrophobicContact CB-CD1 3.89Å; P5-L8 HydrophobicContact CB-CG 3.99Å; P5-L8 HydrophobicContact CG-CD1 3.68Å; P5-L8 HydrophobicContact CG-CG 4.35Å; L8-Y10 HydrophobicContact CB-CE1 4.27Å; L8-Y10 HydrophobicContact CB-CE2 4.06Å; L8-Y10 VanDerWaalsContact O-CE2 3.22Å; L8-Y10 WeakPolarHBondContact O-CE2 3.27Å; L8-W16 HydrophobicContact CB-CB 4.24Å; L8-W16 HydrophobicContact CD1-CB 4.09Å; L8-W16 HydrophobicContact CD1-CD2 3.79Å; L8-W16 HydrophobicContact CD1-CE3 3.94Å; L8-W16 HydrophobicContact CD1-CG 3.87Å; L8-W16 HydrophobicContact CD2-CE3 3.82Å; L8-W16 HydrophobicContact CD2-CZ3 4.21Å; L8-W16 HydrophobicContact CG-CE3 4.43Å; L8-R18 HydrophobicContact CD2-CB 3.46Å; L8-R18 VanDerWaalsContact CD2-CB 3.46Å; L8-R18 HydrophobicContact CD2-CG 3.83Å; L8-Y97 HydrophobicContact CD1-CD1 3.83Å; L8-Q120 PolarHBondContact O-NE2 2.79Å | ||
| 9 | K | 81.3 | Confident | 76.7 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 152.2 | 166.4 | -63.4 | -175.1 | 179.3 | -176 | 0 | 109.1 | W16 L17 P111 M114 | K9-W16 CarbonylContact O-C 3.51Å; K9-W16 WeakPolarHBondContact O-CA 3.38Å; K9-L17 HydrophobicContact CB-CB 4.42Å; K9-L17 PolarHBondContact N-O 2.78Å; K9-L17 PolarHBondContact O-N 3.11Å; K9-P111 HydrophobicContact CD-CG 4.47Å; K9-M114 HydrophobicContact CB-CB 3.97Å; K9-M114 HydrophobicContact CB-CG 4.23Å; K9-M114 HydrophobicContact CB-SD 3.3Å; K9-M114 WeakPolarHBondContact CB-SD 3.21Å; K9-M114 HydrophobicContact CD-CB 3.9Å; K9-M114 HydrophobicContact CD-SD 3.89Å; K9-M114 HydrophobicContact CG-CB 4.43Å; K9-M114 HydrophobicContact CG-SD 4.24Å |
| 10 | Y | 84.2 | Confident | 77 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 11% | 0.106 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.2 | -172.6 | -59 | -86.7 | 0 | 0 | 0 | 111.7 | V4 P5 L8 E15 W16 T30 Y97 T117 | V4-Y10 HydrophobicContact CG1-CD2 4.5Å; V4-Y10 HydrophobicContact CG1-CE1 3.78Å; V4-Y10 HydrophobicContact CG1-CE2 3.66Å; V4-Y10 WeakPolarHBondContact CG1-OH 3.45Å; P5-Y10 WeakPolarHBondContact CD-OH 3.47Å; P5-Y10 VanDerWaalsContact N-OH 3.12Å; P5-Y10 PolarHBondContact O-OH 3.15Å; L8-Y10 HydrophobicContact CB-CE1 4.27Å; L8-Y10 HydrophobicContact CB-CE2 4.06Å; L8-Y10 VanDerWaalsContact O-CE2 3.22Å; L8-Y10 WeakPolarHBondContact O-CE2 3.27Å; Y10-E15 CarbonylContact C-O 3.5Å; Y10-E15 WeakPolarHBondContact CA-O 3.24Å; Y10-W16 HydrophobicContact CD1-CB 3.7Å; Y10-W16 HydrophobicContact CE1-CB 3.67Å; Y10-T30 HydrophobicContact CD1-CG2 3.69Å; Y10-T30 HydrophobicContact CE1-CG2 3.95Å; Y10-Y97 HydrophobicContact CE1-CE1 4.17Å; Y10-T117 HydrophobicContact CD2-CG2 3.78Å; Y10-T117 HydrophobicContact CE2-CG2 4.1Å |
| 11 | S | 84.8 | Confident | 76.9 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | trans | -84.4 | 172.9 | 170 | 86.3 | 0 | 0 | 0 | 0 | 110.6 | E13 H14 E15 | S11-E13 VanDerWaalsContact C-N 3.35Å; S11-E13 PolarHBondContact OG-N 3.16Å; S11-E13 VanDerWaalsContact OG-N 3.07Å; S11-H14 PolarHBondContact OG-N 3.27Å; S11-E15 WeakPolarHBondContact CB-OE2 3.18Å; S11-E15 PolarHBondContact N-O 2.98Å; S11-E15 PolarHBondContact OG-N 2.83Å; S11-E15 VanDerWaalsContact OG-N 3.08Å; S11-E15 PolarHBondContact OG-OE2 2.97Å | ||
| 12 | K | 84.6 | Confident | 78.8 | Confident | 191 Ų | 191 | 71.6 Ų | 71.6 | 83% | 0.83 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.6 | 170.8 | -71.8 | -176.8 | 178.6 | 177.7 | 0 | 113.6 | H14 | K12-H14 VanDerWaalsContact C-N 3.31Š|
| 13 | E | 86.5 | Confident | 80.2 | Confident | 118 Ų | 118 | 70.5 Ų | 70.5 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 18.4 | -177.2 | -50.1 | -53.5 | 158.7 | 0 | 0 | 112.3 | S11 E15 Y71 | S11-E13 VanDerWaalsContact C-N 3.35Å; S11-E13 PolarHBondContact OG-N 3.16Å; S11-E13 VanDerWaalsContact OG-N 3.07Å; E13-E15 VanDerWaalsContact C-OE2 3.32Å; E13-E15 WeakPolarHBondContact CB-OE2 3.33Å; E13-Y71 HydrophobicContact CB-CD2 3.84Å; E13-Y71 HydrophobicContact CB-CE2 4.46Å; E13-Y71 HydrophobicContact CG-CD2 3.98Å; E13-Y71 HydrophobicContact CG-CE2 4.44Å |
| 14 | H | 88 | Confident | 81.3 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 73.5 | 26.4 | 172.7 | -60.9 | -73.8 | 0 | 0 | 0 | 116 | S11 K12 T30 H32 A33 | S11-H14 PolarHBondContact OG-N 3.27Å; K12-H14 VanDerWaalsContact C-N 3.31Å; H14-T30 WeakPolarHBondContact CB-OG1 3.27Å; H14-T30 WeakPolarHBondContact O-CB 3.07Å; H14-T30 VanDerWaalsContact O-CG2 3.26Å; H14-T30 WeakPolarHBondContact O-CG2 3.12Å; H14-T30 PolarHBondContact O-N 2.82Å; H14-T30 PolarHBondContact O-OG1 3.5Å; H14-H32 AromaticContact CD2-CD2 3.9Å; H14-H32 AromaticContact CE1-CD2 3.28Å; H14-H32 PolarHBondContact CE1-CD2 2.88Å; H14-H32 AromaticContact CG-CD2 3.96Å; H14-H32 AromaticContact ND1-CD2 3.59Å; H14-H32 AromaticContact NE2-CD2 3.46Å; H14-H32 PolarHBondContact NE2-CD2 3.44Å; H14-H32 AromaticContact NE2-NE2 3.98Å; H14-A33 HydrophobicContact CB-CB 3.77Å |
| 15 | E | 87.9 | Confident | 82 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 152.5 | 162.1 | -58.1 | 80.8 | -170.3 | 0 | 0 | 112.1 | Y10 S11 E13 V27 G28 I29 I70 Y71 P73 | Y10-E15 CarbonylContact C-O 3.5Å; Y10-E15 WeakPolarHBondContact CA-O 3.24Å; S11-E15 WeakPolarHBondContact CB-OE2 3.18Å; S11-E15 PolarHBondContact N-O 2.98Å; S11-E15 PolarHBondContact OG-N 2.83Å; S11-E15 VanDerWaalsContact OG-N 3.08Å; S11-E15 PolarHBondContact OG-OE2 2.97Å; E13-E15 VanDerWaalsContact C-OE2 3.32Å; E13-E15 WeakPolarHBondContact CB-OE2 3.33Å; E15-V27 HydrophobicContact CB-CG1 4.37Å; E15-G28 CarbonylContact C-O 3.51Å; E15-G28 WeakPolarHBondContact CA-O 3.07Å; E15-G28 WeakPolarHBondContact CB-O 3.11Å; E15-I29 HydrophobicContact CG-CG2 4.39Å; E15-I70 HydrophobicContact CG-CG2 3.93Å; E15-Y71 PolarHBondContact OE1-N 2.86Å; E15-P73 HydrophobicContact CB-CB 4.45Å; E15-P73 HydrophobicContact CB-CG 4.49Å |
| 16 | W | 87.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 154.4 | 171 | 57.7 | -102.5 | 0 | 0 | 0 | 111.6 | L8 K9 Y10 R18 T26 V27 G28 I29 T30 P96 Y97 T103 | L8-W16 HydrophobicContact CB-CB 4.24Å; L8-W16 HydrophobicContact CD1-CB 4.09Å; L8-W16 HydrophobicContact CD1-CD2 3.79Å; L8-W16 HydrophobicContact CD1-CE3 3.94Å; L8-W16 HydrophobicContact CD1-CG 3.87Å; L8-W16 HydrophobicContact CD2-CE3 3.82Å; L8-W16 HydrophobicContact CD2-CZ3 4.21Å; L8-W16 HydrophobicContact CG-CE3 4.43Å; K9-W16 CarbonylContact O-C 3.51Å; K9-W16 WeakPolarHBondContact O-CA 3.38Å; Y10-W16 HydrophobicContact CD1-CB 3.7Å; Y10-W16 HydrophobicContact CE1-CB 3.67Å; W16-R18 HydrophobicContact CZ3-CB 4.18Å; W16-T26 HydrophobicContact CH2-CG2 4.05Å; W16-T26 HydrophobicContact CZ3-CG2 3.95Å; W16-V27 CarbonylContact O-C 3.44Å; W16-V27 VanDerWaalsContact O-CA 3.31Å; W16-V27 WeakPolarHBondContact O-CA 3.3Å; W16-G28 VanDerWaalsContact CE2-CA 3.42Å; W16-G28 PolarHBondContact N-O 3.33Å; W16-G28 PolarHBondContact O-N 3.14Å; W16-I29 PolarHBondContact NE1-O 3.3Å; W16-T30 HydrophobicContact CB-CG2 4.5Å; W16-P96 WeakPolarHBondContact CZ2-O 3.35Å; W16-P96 PolarHBondContact NE1-O 2.65Å; W16-Y97 AromaticContact CD1-CD1 3.78Å; W16-Y97 AromaticContact CD1-CE1 3.89Å; W16-Y97 HydrophobicContact CG-CD1 4.4Å; W16-Y97 AromaticContact NE1-CD1 3.8Å; W16-T103 HydrophobicContact CH2-CG2 4.12Å |
| 17 | L | 85.5 | Confident | 83.5 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.6 | 179.4 | -167.7 | 84.9 | 0 | 0 | 0 | 109.8 | K9 Y25 T26 V27 P73 V74 F108 P111 M114 | K9-L17 HydrophobicContact CB-CB 4.42Å; K9-L17 PolarHBondContact N-O 2.78Å; K9-L17 PolarHBondContact O-N 3.11Å; L17-Y25 HydrophobicContact CD1-CD1 4.33Å; L17-Y25 HydrophobicContact CD1-CG 4.3Å; L17-Y25 HydrophobicContact CD2-CD1 3.36Å; L17-Y25 HydrophobicContact CD2-CE1 3.87Å; L17-Y25 HydrophobicContact CD2-CG 4Å; L17-Y25 HydrophobicContact CG-CD1 3.77Å; L17-Y25 HydrophobicContact CG-CG 4.24Å; L17-T26 CarbonylContact C-O 3.31Å; L17-T26 WeakPolarHBondContact CA-O 3.36Å; L17-V27 HydrophobicContact CD1-CG2 3.52Å; L17-P73 HydrophobicContact CD1-CG 4.07Å; L17-V74 HydrophobicContact CD1-CG2 3.72Å; L17-V74 HydrophobicContact CD2-CG2 3.89Å; L17-V74 HydrophobicContact CG-CG2 4.46Å; L17-F108 HydrophobicContact CD1-CD2 3.92Å; L17-F108 HydrophobicContact CD1-CE2 3.85Å; L17-P111 HydrophobicContact CD2-CG 3.53Å; L17-M114 HydrophobicContact CB-CE 3.77Å; L17-M114 HydrophobicContact CB-SD 3.78Å; L17-M114 HydrophobicContact CD1-CE 4.42Å; L17-M114 HydrophobicContact CD2-CE 3.56Å; L17-M114 HydrophobicContact CD2-SD 3.74Å; L17-M114 HydrophobicContact CG-CE 4.11Å; L17-M114 HydrophobicContact CG-SD 4.38Å |
| 18 | R | 84.7 | Confident | 84.1 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.9 | 169.2 | -168.7 | 166.3 | 56 | -142.3 | -6.3 | 109.4 | L8 W16 E20 Y25 T26 | L8-R18 HydrophobicContact CD2-CB 3.46Å; L8-R18 VanDerWaalsContact CD2-CB 3.46Å; L8-R18 HydrophobicContact CD2-CG 3.83Å; W16-R18 HydrophobicContact CZ3-CB 4.18Å; R18-E20 IonicContact CZ-OE1 3.86Å; R18-E20 IonicContact NE-OE1 3.84Å; R18-E20 PolarHBondContact NE-OE1 2.86Å; R18-E20 IonicContact NE-OE2 2.79Å; R18-E20 IonicContact NH2-OE1 3.56Å; R18-E20 PolarHBondContact NH2-OE1 2.99Å; R18-E20 VanDerWaalsContact NH2-OE1 3.15Å; R18-Y25 CarbonylContact O-C 3.51Å; R18-Y25 WeakPolarHBondContact O-CA 3.35Å; R18-Y25 WeakPolarHBondContact O-CB 2.88Å; R18-T26 PolarHBondContact N-O 3.09Å; R18-T26 PolarHBondContact O-N 3.46Å |
| 19 | K | 82.9 | Confident | 84.4 | Confident | 125 Ų | 125 | 51.4 Ų | 51.4 | 54% | 0.543 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.6 | 169 | -170.6 | 174.3 | -176.9 | 176.3 | 0 | 108.6 | Y25 | K19-Y25 HydrophobicContact CB-CD1 3.79Å; K19-Y25 HydrophobicContact CB-CE1 3.6Å; K19-Y25 HydrophobicContact CD-CE1 3.95Å; K19-Y25 HydrophobicContact CG-CD1 4.06Å; K19-Y25 HydrophobicContact CG-CE1 3.63Å |
| 20 | E | 83 | Confident | 84.8 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | trans | -87 | 158.3 | 176.9 | -58.8 | -59.2 | 158.1 | 0 | 0 | 110.6 | R18 D22 G23 T24 T26 | R18-E20 IonicContact CZ-OE1 3.86Å; R18-E20 IonicContact NE-OE1 3.84Å; R18-E20 PolarHBondContact NE-OE1 2.86Å; R18-E20 IonicContact NE-OE2 2.79Å; R18-E20 IonicContact NH2-OE1 3.56Å; R18-E20 PolarHBondContact NH2-OE1 2.99Å; R18-E20 VanDerWaalsContact NH2-OE1 3.15Å; E20-D22 PolarHBondContact O-N 3.44Å; E20-G23 PolarHBondContact O-N 2.78Å; E20-G23 VanDerWaalsContact O-N 3.08Å; E20-T24 PolarHBondContact N-O 2.84Å; E20-T26 VanDerWaalsContact CD-OG1 3.29Å; E20-T26 VanDerWaalsContact CG-OG1 3.31Å; E20-T26 WeakPolarHBondContact CG-OG1 3.42Å; E20-T26 VanDerWaalsContact OE1-CB 3.27Å; E20-T26 WeakPolarHBondContact OE1-CB 3.37Å; E20-T26 PolarHBondContact OE1-OG1 3.29Å | ||
| 21 | A | 74.9 | Confident | 84.9 | Confident | 115 Ų | 115 | 49.5 Ų | 49.5 | 95% | 0.95 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G23 | A21-G23 VanDerWaalsContact C-N 3.27Å; A21-G23 PolarHBondContact O-N 3.5Å |
| 22 | D | 78.6 | Confident | 85 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 66% | 0.658 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.1 | 177.8 | 68.3 | -3.1 | 0 | 0 | 0 | 113.8 | E20 T24 | E20-D22 PolarHBondContact O-N 3.44Å; D22-T24 VanDerWaalsContact OD1-CB 3.32Å; D22-T24 WeakPolarHBondContact OD1-CB 3.33Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.26Å; D22-T24 PolarHBondContact OD1-N 2.84Å; D22-T24 PolarHBondContact OD1-OG1 3.39Å; D22-T24 PolarHBondContact OD2-OG1 2.62Å |
| 23 | G | 77.9 | Confident | 85.1 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 90.1 | -4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E20 A21 | E20-G23 PolarHBondContact O-N 2.78Å; E20-G23 VanDerWaalsContact O-N 3.08Å; A21-G23 VanDerWaalsContact C-N 3.27Å; A21-G23 PolarHBondContact O-N 3.5Å |
| 24 | T | 85 | Confident | 85.1 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | trans | -74.3 | 171.3 | 167.4 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | E20 D22 V79 T107 | E20-T24 PolarHBondContact N-O 2.84Å; D22-T24 VanDerWaalsContact OD1-CB 3.32Å; D22-T24 WeakPolarHBondContact OD1-CB 3.33Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.26Å; D22-T24 PolarHBondContact OD1-N 2.84Å; D22-T24 PolarHBondContact OD1-OG1 3.39Å; D22-T24 PolarHBondContact OD2-OG1 2.62Å; T24-V79 HydrophobicContact CG2-CG2 4.34Å; T24-T107 HydrophobicContact CG2-CG2 4.11Å | ||
| 25 | Y | 85.5 | Confident | 85 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.6 | 173.9 | -64.6 | -97 | 0 | 0 | 0 | 110.3 | L17 R18 K19 H105 C106 F108 | L17-Y25 HydrophobicContact CD1-CD1 4.33Å; L17-Y25 HydrophobicContact CD1-CG 4.3Å; L17-Y25 HydrophobicContact CD2-CD1 3.36Å; L17-Y25 HydrophobicContact CD2-CE1 3.87Å; L17-Y25 HydrophobicContact CD2-CG 4Å; L17-Y25 HydrophobicContact CG-CD1 3.77Å; L17-Y25 HydrophobicContact CG-CG 4.24Å; R18-Y25 CarbonylContact O-C 3.51Å; R18-Y25 WeakPolarHBondContact O-CA 3.35Å; R18-Y25 WeakPolarHBondContact O-CB 2.88Å; K19-Y25 HydrophobicContact CB-CD1 3.79Å; K19-Y25 HydrophobicContact CB-CE1 3.6Å; K19-Y25 HydrophobicContact CD-CE1 3.95Å; K19-Y25 HydrophobicContact CG-CD1 4.06Å; K19-Y25 HydrophobicContact CG-CE1 3.63Å; Y25-H105 CarbonylContact O-C 3.56Å; Y25-H105 WeakPolarHBondContact O-CA 3.22Å; Y25-C106 PolarHBondContact N-O 3.48Å; Y25-C106 PolarHBondContact O-N 2.91Å; Y25-F108 HydrophobicContact CD2-CB 3.74Å; Y25-F108 HydrophobicContact CD2-CD2 4.13Å; Y25-F108 HydrophobicContact CD2-CG 4.38Å; Y25-F108 HydrophobicContact CE2-CB 4.01Å; Y25-F108 WeakPolarHBondContact CE2-O 3.1Å; Y25-F108 HydrophobicContact CG-CB 4.46Å; Y25-F108 HydrophobicContact CG-CD2 4.12Å |
| 26 | T | 87.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.7 | 172.7 | -60.4 | 0 | 0 | 0 | 0 | 109.2 | W16 L17 R18 E20 T103 H105 | W16-T26 HydrophobicContact CH2-CG2 4.05Å; W16-T26 HydrophobicContact CZ3-CG2 3.95Å; L17-T26 CarbonylContact C-O 3.31Å; L17-T26 WeakPolarHBondContact CA-O 3.36Å; R18-T26 PolarHBondContact N-O 3.09Å; R18-T26 PolarHBondContact O-N 3.46Å; E20-T26 VanDerWaalsContact CD-OG1 3.29Å; E20-T26 VanDerWaalsContact CG-OG1 3.31Å; E20-T26 WeakPolarHBondContact CG-OG1 3.42Å; E20-T26 VanDerWaalsContact OE1-CB 3.27Å; E20-T26 WeakPolarHBondContact OE1-CB 3.37Å; E20-T26 PolarHBondContact OE1-OG1 3.29Å; T26-T103 HydrophobicContact CG2-CG2 3.25Å; T26-H105 PolarHBondContact OG1-CE1 3.08Å; T26-H105 VanDerWaalsContact OG1-CE1 3.22Å; T26-H105 PolarHBondContact OG1-ND1 3.21Å; T26-H105 VanDerWaalsContact OG1-ND1 3.14Å |
| 27 | V | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.8 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | E15 W16 L17 P73 T103 I104 F108 | E15-V27 HydrophobicContact CB-CG1 4.37Å; W16-V27 CarbonylContact O-C 3.44Å; W16-V27 VanDerWaalsContact O-CA 3.31Å; W16-V27 WeakPolarHBondContact O-CA 3.3Å; L17-V27 HydrophobicContact CD1-CG2 3.52Å; V27-P73 HydrophobicContact CB-CG 4.42Å; V27-P73 HydrophobicContact CG1-CG 3.78Å; V27-P73 HydrophobicContact CG2-CG 3.77Å; V27-T103 VanDerWaalsContact O-CA 3.29Å; V27-T103 WeakPolarHBondContact O-CA 3.33Å; V27-I104 HydrophobicContact CB-CB 4.34Å; V27-I104 PolarHBondContact N-O 2.78Å; V27-I104 PolarHBondContact O-N 2.81Å; V27-F108 HydrophobicContact CG2-CE2 3.66Å; V27-F108 HydrophobicContact CG2-CZ 4.2Å |
| 28 | G | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | -177.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E15 W16 F102 | E15-G28 CarbonylContact C-O 3.51Å; E15-G28 WeakPolarHBondContact CA-O 3.07Å; E15-G28 WeakPolarHBondContact CB-O 3.11Å; W16-G28 VanDerWaalsContact CE2-CA 3.42Å; W16-G28 PolarHBondContact N-O 3.33Å; W16-G28 PolarHBondContact O-N 3.14Å; G28-F102 VanDerWaalsContact CA-O 3.3Å; G28-F102 WeakPolarHBondContact CA-O 3.44Å |
| 29 | I | 88.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.6 | 176.9 | 68.3 | 172.4 | 0 | 0 | 0 | 111.4 | E15 W16 A33 Q34 L37 I70 V92 P96 F102 | E15-I29 HydrophobicContact CG-CG2 4.39Å; W16-I29 PolarHBondContact NE1-O 3.3Å; I29-A33 HydrophobicContact CB-CB 3.95Å; I29-A33 HydrophobicContact CD1-CB 4.29Å; I29-A33 HydrophobicContact CG1-CB 4.44Å; I29-Q34 HydrophobicContact CD1-CB 4.03Å; I29-L37 HydrophobicContact CD1-CD1 3.97Å; I29-I70 HydrophobicContact CG2-CD1 3.87Å; I29-I70 HydrophobicContact CG2-CG1 4.18Å; I29-I70 HydrophobicContact CG2-CG2 3.96Å; I29-V92 HydrophobicContact CD1-CG1 3.44Å; I29-V92 VanDerWaalsContact CD1-CG1 3.44Å; I29-V92 HydrophobicContact CG1-CG1 4.07Å; I29-P96 VanDerWaalsContact O-O 3.09Å; I29-F102 HydrophobicContact CG2-CD1 4.05Å; I29-F102 HydrophobicContact CG2-CE1 4.02Å |
| 30 | T | 87.9 | Confident | 84.9 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | trans | -70.3 | 162.5 | -178.3 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | Y10 H14 W16 H32 A33 Q34 Y97 | Y10-T30 HydrophobicContact CD1-CG2 3.69Å; Y10-T30 HydrophobicContact CE1-CG2 3.95Å; H14-T30 WeakPolarHBondContact CB-OG1 3.27Å; H14-T30 WeakPolarHBondContact O-CB 3.07Å; H14-T30 VanDerWaalsContact O-CG2 3.26Å; H14-T30 WeakPolarHBondContact O-CG2 3.12Å; H14-T30 PolarHBondContact O-N 2.82Å; H14-T30 PolarHBondContact O-OG1 3.5Å; W16-T30 HydrophobicContact CB-CG2 4.5Å; T30-H32 PolarHBondContact O-N 2.89Å; T30-A33 WeakPolarHBondContact O-CB 3.36Å; T30-A33 PolarHBondContact O-N 3.15Å; T30-A33 PolarHBondContact OG1-N 3.08Å; T30-Q34 PolarHBondContact O-N 2.91Å; T30-Q34 VanDerWaalsContact O-N 3.15Å; T30-Y97 HydrophobicContact CG2-CE1 4.19Å | ||
| 31 | E | 87 | Confident | 85.2 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56 | -33.6 | 173.6 | -173.3 | 173.4 | -154 | 0 | 0 | 112.2 | S2 Q34 E35 P96 Y97 | S2-E31 WeakPolarHBondContact CB-OE2 3.28Å; S2-E31 PolarHBondContact OG-OE2 3.14Å; E31-Q34 WeakPolarHBondContact O-CG 3.28Å; E31-Q34 PolarHBondContact O-NE2 3.12Å; E31-E35 WeakPolarHBondContact O-CB 2.99Å; E31-E35 WeakPolarHBondContact O-CG 3.37Å; E31-E35 PolarHBondContact O-N 2.89Å; E31-P96 HydrophobicContact CB-CB 4.15Å; E31-P96 HydrophobicContact CB-CG 3.57Å; E31-P96 HydrophobicContact CG-CG 3.92Å; E31-Y97 HydrophobicContact CB-CE2 3.77Å; E31-Y97 PolarHBondContact N-OH 3.37Å |
| 32 | H | 86.7 | Confident | 86 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 176.2 | -170.5 | 66.4 | 0 | 0 | 0 | 112.6 | H14 T30 E35 L36 | H14-H32 AromaticContact CD2-CD2 3.9Å; H14-H32 AromaticContact CE1-CD2 3.28Å; H14-H32 PolarHBondContact CE1-CD2 2.88Å; H14-H32 AromaticContact CG-CD2 3.96Å; H14-H32 AromaticContact ND1-CD2 3.59Å; H14-H32 AromaticContact NE2-CD2 3.46Å; H14-H32 PolarHBondContact NE2-CD2 3.44Å; H14-H32 AromaticContact NE2-NE2 3.98Å; T30-H32 PolarHBondContact O-N 2.89Å; H32-E35 PolarHBondContact O-N 3.25Å; H32-L36 WeakPolarHBondContact NE2-CD1 3.26Å; H32-L36 PolarHBondContact O-N 3.13Å; H32-L36 VanDerWaalsContact O-N 3.09Å |
| 33 | A | 87.1 | Confident | 86.4 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H14 I29 T30 E35 L36 L37 | H14-A33 HydrophobicContact CB-CB 3.77Å; I29-A33 HydrophobicContact CB-CB 3.95Å; I29-A33 HydrophobicContact CD1-CB 4.29Å; I29-A33 HydrophobicContact CG1-CB 4.44Å; T30-A33 WeakPolarHBondContact O-CB 3.36Å; T30-A33 PolarHBondContact O-N 3.15Å; T30-A33 PolarHBondContact OG1-N 3.08Å; A33-E35 VanDerWaalsContact C-N 3.34Å; A33-E35 PolarHBondContact O-N 2.89Å; A33-L36 WeakPolarHBondContact O-CB 3.42Å; A33-L36 PolarHBondContact O-N 2.82Å; A33-L37 PolarHBondContact O-N 3.19Å |
| 34 | Q | 86.5 | Confident | 87 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -33.8 | -179.5 | 75.5 | 77.3 | 32.3 | 0 | 0 | 112.2 | I29 T30 E31 L37 G38 V92 N93 P96 | I29-Q34 HydrophobicContact CD1-CB 4.03Å; T30-Q34 PolarHBondContact O-N 2.91Å; T30-Q34 VanDerWaalsContact O-N 3.15Å; E31-Q34 WeakPolarHBondContact O-CG 3.28Å; E31-Q34 PolarHBondContact O-NE2 3.12Å; Q34-L37 PolarHBondContact O-N 2.91Å; Q34-G38 PolarHBondContact O-N 3.5Å; Q34-V92 HydrophobicContact CB-CG1 4.19Å; Q34-N93 PolarHBondContact OE1-ND2 2.84Å; Q34-P96 HydrophobicContact CG-CB 4.2Å |
| 35 | E | 85.7 | Confident | 87.2 | Confident | 123 Ų | 123 | 43.5 Ų | 43.5 | 58% | 0.575 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.6 | -39 | 173.2 | -78.9 | -173.2 | 159.7 | 0 | 0 | 112.2 | E31 H32 A33 G38 | E31-E35 WeakPolarHBondContact O-CB 2.99Å; E31-E35 WeakPolarHBondContact O-CG 3.37Å; E31-E35 PolarHBondContact O-N 2.89Å; H32-E35 PolarHBondContact O-N 3.25Å; A33-E35 VanDerWaalsContact C-N 3.34Å; A33-E35 PolarHBondContact O-N 2.89Å; E35-G38 PolarHBondContact O-N 2.95Å |
| 36 | L | 85.6 | Confident | 87.3 | Confident | 119 Ų | 119 | 43.9 Ų | 43.9 | 62% | 0.623 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.8 | -38.7 | 176.6 | -85.7 | 165.6 | 0 | 0 | 0 | 112.2 | H32 A33 | H32-L36 WeakPolarHBondContact NE2-CD1 3.26Å; H32-L36 PolarHBondContact O-N 3.13Å; H32-L36 VanDerWaalsContact O-N 3.09Å; A33-L36 WeakPolarHBondContact O-CB 3.42Å; A33-L36 PolarHBondContact O-N 2.82Å |
| 37 | L | 84.1 | Confident | 87.3 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 174.8 | -77.7 | 163.6 | 0 | 0 | 0 | 111.1 | I29 A33 Q34 M40 A61 S63 | I29-L37 HydrophobicContact CD1-CD1 3.97Å; A33-L37 PolarHBondContact O-N 3.19Å; Q34-L37 PolarHBondContact O-N 2.91Å; L37-M40 HydrophobicContact CB-SD 3.97Å; L37-M40 HydrophobicContact CD1-SD 4.1Å; L37-M40 HydrophobicContact CG-SD 4.43Å; L37-A61 HydrophobicContact CD1-CB 3.72Å; L37-A61 HydrophobicContact CD2-CB 4.22Å; L37-S63 WeakPolarHBondContact O-CB 3.47Å; L37-S63 PolarHBondContact O-OG 3.16Å |
| 38 | G | 84.6 | Confident | 87.4 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | trans | 78.5 | -151.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q34 E35 M40 N93 | Q34-G38 PolarHBondContact O-N 3.5Å; E35-G38 PolarHBondContact O-N 2.95Å; G38-M40 PolarHBondContact O-N 3.01Å; G38-M40 VanDerWaalsContact O-N 3.09Å; G38-N93 PolarHBondContact O-ND2 2.82Å; G38-N93 PolarHBondContact O-OD1 3.38Å | ||
| 39 | D | 85.8 | Confident | 87.3 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -64.6 | 110.5 | -176.1 | -61.3 | -33.9 | 0 | 0 | 0 | 111.3 | S63 V64 | D39-S63 VanDerWaalsContact O-CA 3.22Å; D39-S63 WeakPolarHBondContact O-CA 3.27Å; D39-S63 WeakPolarHBondContact O-CB 3.37Å; D39-V64 HydrophobicContact CB-CG2 4.24Å; D39-V64 PolarHBondContact O-N 2.88Å |
| 40 | M | 87 | Confident | 87.3 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.6 | -178.9 | -72.5 | -59.4 | -58 | 0 | 0 | 111.8 | L37 G38 F42 V43 A61 E62 P89 V92 N93 | L37-M40 HydrophobicContact CB-SD 3.97Å; L37-M40 HydrophobicContact CD1-SD 4.1Å; L37-M40 HydrophobicContact CG-SD 4.43Å; G38-M40 PolarHBondContact O-N 3.01Å; G38-M40 VanDerWaalsContact O-N 3.09Å; M40-F42 VanDerWaalsContact CE-O 3.26Å; M40-F42 WeakPolarHBondContact CE-O 3.49Å; M40-V43 HydrophobicContact CE-CG2 3.52Å; M40-A61 HydrophobicContact CE-CB 3.43Å; M40-A61 VanDerWaalsContact CE-CB 3.43Å; M40-A61 HydrophobicContact SD-CB 4.07Å; M40-E62 VanDerWaalsContact CE-O 3.27Å; M40-E62 WeakPolarHBondContact CE-O 3.37Å; M40-P89 HydrophobicContact CB-CB 4.32Å; M40-P89 VanDerWaalsContact CB-O 3.3Å; M40-P89 WeakPolarHBondContact CB-O 3.46Å; M40-V92 HydrophobicContact CG-CB 3.98Å; M40-V92 HydrophobicContact CG-CG1 4.25Å; M40-V92 HydrophobicContact CG-CG2 4.42Å; M40-N93 WeakPolarHBondContact CB-OD1 3.45Å; M40-N93 WeakPolarHBondContact CG-OD1 3.42Å; M40-N93 PolarHBondContact N-OD1 3.43Å; M40-N93 VanDerWaalsContact N-OD1 3.13Å |
| 41 | V | 89.5 | Confident | 87.3 | Confident | 75 Ų | 75 | 64 Ų | 64 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -22.4 | 179.1 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | E62 V64 P89 | V41-E62 HydrophobicContact CG2-CB 4.23Å; V41-E62 WeakPolarHBondContact CG2-O 3.22Å; V41-E62 PolarHBondContact N-O 3.23Å; V41-V64 HydrophobicContact CG1-CG2 3.58Å; V41-P89 WeakPolarHBondContact O-CG 3.22Å |
| 42 | F | 89.9 | Confident | 87.3 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 145.6 | 178.6 | 178.2 | -108.1 | 0 | 0 | 0 | 110.3 | M40 D44 E62 | M40-F42 VanDerWaalsContact CE-O 3.26Å; M40-F42 WeakPolarHBondContact CE-O 3.49Å; F42-D44 HydrophobicContact CE1-CB 3.77Å; F42-D44 HydrophobicContact CZ-CB 4.2Å; F42-E62 HydrophobicContact CB-CB 4.18Å; F42-E62 HydrophobicContact CD1-CG 4.37Å; F42-E62 PolarHBondContact N-O 2.71Å; F42-E62 VanDerWaalsContact N-O 3.16Å; F42-E62 PolarHBondContact O-N 3.06Å |
| 43 | V | 88.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.3 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | M40 L45 V60 L85 P89 V92 F102 | M40-V43 HydrophobicContact CE-CG2 3.52Å; V43-L45 HydrophobicContact CG1-CD2 3.78Å; V43-L45 HydrophobicContact CG1-CG 4.17Å; V43-L45 PolarHBondContact O-N 3.47Å; V43-V60 CarbonylContact C-O 3.56Å; V43-V60 WeakPolarHBondContact CA-O 3.29Å; V43-L85 HydrophobicContact CB-CB 4.33Å; V43-L85 HydrophobicContact CG1-CB 4.47Å; V43-L85 HydrophobicContact CG1-CD1 4.36Å; V43-L85 HydrophobicContact CG2-CD2 4.43Å; V43-P89 HydrophobicContact CG2-CB 3.99Å; V43-V92 HydrophobicContact CG2-CG2 3.97Å; V43-F102 HydrophobicContact CG1-CD2 4.27Å; V43-F102 HydrophobicContact CG1-CE2 3.75Å |
| 44 | D | 90.2 | Very high | 87.1 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 108.5 | 169.5 | -159.6 | 11.5 | 0 | 0 | 0 | 108.3 | F42 A59 V60 | F42-D44 HydrophobicContact CE1-CB 3.77Å; F42-D44 HydrophobicContact CZ-CB 4.2Å; D44-A59 CarbonylContact O-C 3.6Å; D44-A59 WeakPolarHBondContact O-CA 3.39Å; D44-A59 VanDerWaalsContact O-CB 3.24Å; D44-A59 WeakPolarHBondContact O-CB 2.91Å; D44-V60 HydrophobicContact CB-CB 3.99Å; D44-V60 PolarHBondContact N-O 2.77Å; D44-V60 PolarHBondContact O-N 3.22Å |
| 45 | L | 88.8 | Confident | 87 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 14% | 0.141 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 148.2 | -179 | -68.3 | 173.3 | 0 | 0 | 0 | 110.8 | V43 V81 N82 L85 F102 | V43-L45 HydrophobicContact CG1-CD2 3.78Å; V43-L45 HydrophobicContact CG1-CG 4.17Å; V43-L45 PolarHBondContact O-N 3.47Å; L45-V81 HydrophobicContact CB-CG2 4.48Å; L45-V81 HydrophobicContact CD1-CB 4.36Å; L45-V81 HydrophobicContact CD1-CG2 4.13Å; L45-N82 WeakPolarHBondContact CD1-O 3.41Å; L45-L85 HydrophobicContact CD1-CB 4.19Å; L45-L85 HydrophobicContact CD2-CB 4.39Å; L45-L85 HydrophobicContact CD2-CD1 3.94Å; L45-F102 HydrophobicContact CD2-CE2 4.45Å |
| 46 | P | 87.8 | Confident | 87.1 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 152.1 | 175 | 18.7 | -21.8 | 0 | 0 | 0 | 112 | V48 C58 I78 V81 I104 | P46-V48 PolarHBondContact O-N 2.81Å; P46-C58 WeakPolarHBondContact CB-O 3.21Å; P46-C58 WeakPolarHBondContact CD-O 3.28Å; P46-C58 WeakPolarHBondContact CG-O 3.15Å; P46-I78 HydrophobicContact CB-CD1 3.24Å; P46-I78 HydrophobicContact CB-CG2 4.49Å; P46-I78 HydrophobicContact CG-CD1 3.42Å; P46-I78 VanDerWaalsContact CG-CD1 3.42Å; P46-I78 HydrophobicContact CG-CG2 4.23Å; P46-V81 HydrophobicContact CG-CG1 3.8Å; P46-I104 HydrophobicContact CG-CD1 3.94Å; P46-I104 HydrophobicContact CG-CG1 4.22Å; P46-I104 HydrophobicContact CG-CG2 4.02Å |
| 47 | E | 87.5 | Confident | 87.3 | Confident | 164 Ų | 164 | 60.6 Ų | 60.6 | 77% | 0.766 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 130.5 | 168.3 | -71.7 | -170.5 | 162.7 | 0 | 0 | 110.9 | G49 A50 | E47-G49 PolarHBondContact O-N 3.04Å; E47-A50 HydrophobicContact CB-CB 4.47Å; E47-A50 WeakPolarHBondContact O-CB 3.49Å; E47-A50 PolarHBondContact O-N 3.45Å |
| 48 | V | 89.2 | Confident | 87.4 | Confident | 87 Ų | 87 | 60.3 Ų | 60.3 | 53% | 0.527 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 127.6 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | P46 V79 V81 | P46-V48 PolarHBondContact O-N 2.81Å; V48-V79 WeakPolarHBondContact CG1-O 3.45Å; V48-V81 HydrophobicContact CG2-CG2 4.12Å |
| 49 | G | 86.7 | Confident | 87.6 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -7.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E47 T51 I78 | E47-G49 PolarHBondContact O-N 3.04Å; G49-T51 PolarHBondContact O-N 3.16Å; G49-I78 PolarHBondContact N-O 3.24Å |
| 50 | A | 87.4 | Confident | 87.8 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | trans | -66.6 | 134.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E47 E77 I78 | E47-A50 HydrophobicContact CB-CB 4.47Å; E47-A50 WeakPolarHBondContact O-CB 3.49Å; E47-A50 PolarHBondContact O-N 3.45Å; A50-E77 WeakPolarHBondContact O-CA 3.46Å; A50-I78 PolarHBondContact O-N 3.15Å | ||
| 51 | T | 88.6 | Confident | 87.8 | Confident | 115 Ų | 115 | 54 Ų | 54 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.4 | 169.9 | -48.8 | 0 | 0 | 0 | 0 | 108.7 | G49 G76 | G49-T51 PolarHBondContact O-N 3.16Å; T51-G76 WeakPolarHBondContact CA-O 3.31Å |
| 52 | V | 85.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.085 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.1 | 178.2 | -65.8 | 0 | 0 | 0 | 0 | 109.9 | C58 A72 S75 G76 I78 F108 | V52-C58 HydrophobicContact CG1-CB 4.02Å; V52-A72 HydrophobicContact CB-CB 4.03Å; V52-A72 HydrophobicContact CG2-CB 3.69Å; V52-S75 CarbonylContact O-C 3.51Å; V52-S75 VanDerWaalsContact O-CA 3.26Å; V52-S75 WeakPolarHBondContact O-CA 3.18Å; V52-G76 PolarHBondContact N-O 2.79Å; V52-G76 PolarHBondContact O-N 3.05Å; V52-I78 HydrophobicContact CG1-CD1 3.88Å; V52-I78 HydrophobicContact CG2-CD1 4.27Å; V52-I78 HydrophobicContact CG2-CG1 4.28Å; V52-F108 HydrophobicContact CG2-CE1 4.46Å |
| 53 | S | 86.3 | Confident | 87.6 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | trans | -90 | 152.1 | 169.9 | -39.4 | 0 | 0 | 0 | 0 | 109.9 | G55 D56 | S53-G55 PolarHBondContact O-N 3.06Å; S53-D56 WeakPolarHBondContact CA-OD2 3.49Å; S53-D56 WeakPolarHBondContact CB-OD2 3.44Å; S53-D56 PolarHBondContact N-OD2 3.38Å; S53-D56 VanDerWaalsContact O-CB 3.27Å; S53-D56 WeakPolarHBondContact O-CB 3.49Å; S53-D56 PolarHBondContact O-N 2.95Å; S53-D56 PolarHBondContact OG-OD2 3.01Å | ||
| 54 | A | 84.8 | Confident | 87.3 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 123.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A72 S75 | A54-A72 CarbonylContact C-O 3.49Å; A54-A72 WeakPolarHBondContact CA-O 3.42Å; A54-S75 PolarHBondContact N-OG 3.28Å |
| 55 | G | 84.2 | Confident | 86.8 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -4.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S53 Y71 A72 | S53-G55 PolarHBondContact O-N 3.06Å; G55-Y71 WeakPolarHBondContact O-CD1 3.08Å; G55-A72 PolarHBondContact N-O 3.42Å |
| 56 | D | 87.8 | Confident | 86.6 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -73.3 | 148.4 | 167.2 | -64.8 | -13.5 | 0 | 0 | 0 | 109.3 | S53 C58 Y71 A72 | S53-D56 WeakPolarHBondContact CA-OD2 3.49Å; S53-D56 WeakPolarHBondContact CB-OD2 3.44Å; S53-D56 PolarHBondContact N-OD2 3.38Å; S53-D56 VanDerWaalsContact O-CB 3.27Å; S53-D56 WeakPolarHBondContact O-CB 3.49Å; S53-D56 PolarHBondContact O-N 2.95Å; S53-D56 PolarHBondContact OG-OD2 3.01Å; D56-C58 PolarHBondContact O-N 3.04Å; D56-Y71 CarbonylContact O-C 3.33Å; D56-Y71 WeakPolarHBondContact O-CA 3.33Å; D56-A72 PolarHBondContact O-N 3.38Å |
| 57 | D | 88.3 | Confident | 86.5 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 126.1 | 167.9 | 53.8 | -62.1 | 0 | 0 | 0 | 109.8 | D69 | D57-D69 HydrophobicContact CB-CB 4.15Å |
| 58 | C | 87.7 | Confident | 86.4 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -18.5 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | P46 V52 D56 I70 A72 I78 | P46-C58 WeakPolarHBondContact CB-O 3.21Å; P46-C58 WeakPolarHBondContact CD-O 3.28Å; P46-C58 WeakPolarHBondContact CG-O 3.15Å; V52-C58 HydrophobicContact CG1-CB 4.02Å; D56-C58 PolarHBondContact O-N 3.04Å; C58-I70 PolarHBondContact N-O 2.85Å; C58-I70 PolarHBondContact SG-O 2.81Å; C58-I70 VanDerWaalsContact SG-O 3.38Å; C58-A72 HydrophobicContact CB-CB 4.11Å; C58-I78 HydrophobicContact CB-CD1 4.34Å |
| 59 | A | 88.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 162.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | D44 I70 F102 I104 | D44-A59 CarbonylContact O-C 3.6Å; D44-A59 WeakPolarHBondContact O-CA 3.39Å; D44-A59 VanDerWaalsContact O-CB 3.24Å; D44-A59 WeakPolarHBondContact O-CB 2.91Å; A59-I70 HydrophobicContact CB-CB 4.1Å; A59-I70 HydrophobicContact CB-CD1 4.22Å; A59-I70 PolarHBondContact N-O 2.91Å; A59-I70 PolarHBondContact O-N 3.28Å; A59-F102 HydrophobicContact CB-CE2 4.38Å; A59-F102 HydrophobicContact CB-CZ 3.91Å; A59-I104 HydrophobicContact CB-CD1 4.09Å |
| 60 | V | 89.3 | Confident | 86.6 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.6 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V43 D44 E62 A67 | V43-V60 CarbonylContact C-O 3.56Å; V43-V60 WeakPolarHBondContact CA-O 3.29Å; D44-V60 HydrophobicContact CB-CB 3.99Å; D44-V60 PolarHBondContact N-O 2.77Å; D44-V60 PolarHBondContact O-N 3.22Å; V60-E62 HydrophobicContact CG1-CG 4.29Å; V60-A67 HydrophobicContact CG1-CB 4.46Å |
| 61 | A | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L37 M40 A67 S68 I70 | L37-A61 HydrophobicContact CD1-CB 3.72Å; L37-A61 HydrophobicContact CD2-CB 4.22Å; M40-A61 HydrophobicContact CE-CB 3.43Å; M40-A61 VanDerWaalsContact CE-CB 3.43Å; M40-A61 HydrophobicContact SD-CB 4.07Å; A61-A67 WeakPolarHBondContact O-CA 3.15Å; A61-S68 PolarHBondContact N-O 3.08Å; A61-S68 PolarHBondContact O-N 2.5Å; A61-I70 HydrophobicContact CB-CD1 3.81Å; A61-I70 HydrophobicContact CB-CG1 4.28Å |
| 62 | E | 87.5 | Confident | 86.5 | Confident | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.8 | 173 | -63.8 | -164.7 | 147 | 0 | 0 | 111.7 | M40 V41 F42 V60 A66 A67 | M40-E62 VanDerWaalsContact CE-O 3.27Å; M40-E62 WeakPolarHBondContact CE-O 3.37Å; V41-E62 HydrophobicContact CG2-CB 4.23Å; V41-E62 WeakPolarHBondContact CG2-O 3.22Å; V41-E62 PolarHBondContact N-O 3.23Å; F42-E62 HydrophobicContact CB-CB 4.18Å; F42-E62 HydrophobicContact CD1-CG 4.37Å; F42-E62 PolarHBondContact N-O 2.71Å; F42-E62 VanDerWaalsContact N-O 3.16Å; F42-E62 PolarHBondContact O-N 3.06Å; V60-E62 HydrophobicContact CG1-CG 4.29Å; E62-A66 WeakPolarHBondContact CA-O 3.33Å; E62-A67 HydrophobicContact CG-CB 3.77Å |
| 63 | S | 87.4 | Confident | 86.4 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 175.6 | 168.1 | 82.6 | 0 | 0 | 0 | 0 | 111 | L37 D39 K65 A66 | L37-S63 WeakPolarHBondContact O-CB 3.47Å; L37-S63 PolarHBondContact O-OG 3.16Å; D39-S63 VanDerWaalsContact O-CA 3.22Å; D39-S63 WeakPolarHBondContact O-CA 3.27Å; D39-S63 WeakPolarHBondContact O-CB 3.37Å; S63-K65 PolarHBondContact O-N 2.78Å; S63-K65 PolarHBondContact OG-N 2.83Å; S63-K65 VanDerWaalsContact OG-N 3.15Å; S63-A66 PolarHBondContact N-O 3.49Å; S63-A66 PolarHBondContact OG-N 3.16Å; S63-A66 VanDerWaalsContact OG-N 3.11Å; S63-A66 PolarHBondContact OG-O 3.07Å |
| 64 | V | 81.6 | Confident | 86.1 | Confident | 106 Ų | 106 | 50.9 Ų | 50.9 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -57.5 | -18.6 | 174.7 | -163.1 | 0 | 0 | 0 | 0 | 112.7 | D39 V41 | D39-V64 HydrophobicContact CB-CG2 4.24Å; D39-V64 PolarHBondContact O-N 2.88Å; V41-V64 HydrophobicContact CG1-CG2 3.58Å |
| 65 | K | 80.4 | Confident | 86.2 | Confident | 199 Ų | 199 | 51.6 Ų | 51.6 | 87% | 0.865 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -122.2 | -20.1 | -171.1 | -65.9 | -179.1 | -175.8 | 167.6 | 0 | 115.1 | S63 | S63-K65 PolarHBondContact O-N 2.78Å; S63-K65 PolarHBondContact OG-N 2.83Å; S63-K65 VanDerWaalsContact OG-N 3.15Å |
| 66 | A | 82.7 | Confident | 86.3 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | trans | -153.6 | 152.8 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | E62 S63 | E62-A66 WeakPolarHBondContact CA-O 3.33Å; S63-A66 PolarHBondContact N-O 3.49Å; S63-A66 PolarHBondContact OG-N 3.16Å; S63-A66 VanDerWaalsContact OG-N 3.11Å; S63-A66 PolarHBondContact OG-O 3.07Å | ||
| 67 | A | 86.1 | Confident | 86.3 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 51% | 0.512 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.2 | 161 | 0 | 0 | 0 | 0 | 0 | 107.2 | V60 A61 E62 | V60-A67 HydrophobicContact CG1-CB 4.46Å; A61-A67 WeakPolarHBondContact O-CA 3.15Å; E62-A67 HydrophobicContact CG-CB 3.77Å |
| 68 | S | 86.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 46 Ų | 46 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.5 | 170.5 | -165.6 | 0 | 0 | 0 | 0 | 109.4 | A61 | A61-S68 PolarHBondContact N-O 3.08Å; A61-S68 PolarHBondContact O-N 2.5Å |
| 69 | D | 90.7 | Very high | 86.4 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 141.7 | 164.9 | -53 | -41.9 | 0 | 0 | 0 | 108.4 | D57 Y71 | D57-D69 HydrophobicContact CB-CB 4.15Å; D69-Y71 HydrophobicContact CB-CE1 4.32Å; D69-Y71 HydrophobicContact CB-CE2 4.29Å |
| 70 | I | 87.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.6 | 172.6 | -61.2 | 178 | 0 | 0 | 0 | 106 | E15 I29 C58 A59 A61 F102 | E15-I70 HydrophobicContact CG-CG2 3.93Å; I29-I70 HydrophobicContact CG2-CD1 3.87Å; I29-I70 HydrophobicContact CG2-CG1 4.18Å; I29-I70 HydrophobicContact CG2-CG2 3.96Å; C58-I70 PolarHBondContact N-O 2.85Å; C58-I70 PolarHBondContact SG-O 2.81Å; C58-I70 VanDerWaalsContact SG-O 3.38Å; A59-I70 HydrophobicContact CB-CB 4.1Å; A59-I70 HydrophobicContact CB-CD1 4.22Å; A59-I70 PolarHBondContact N-O 2.91Å; A59-I70 PolarHBondContact O-N 3.28Å; A61-I70 HydrophobicContact CB-CD1 3.81Å; A61-I70 HydrophobicContact CB-CG1 4.28Å; I70-F102 HydrophobicContact CB-CZ 4.48Å; I70-F102 HydrophobicContact CD1-CD2 4.32Å; I70-F102 HydrophobicContact CD1-CE1 3.74Å; I70-F102 HydrophobicContact CD1-CE2 3.45Å; I70-F102 VanDerWaalsContact CD1-CE2 3.45Å; I70-F102 HydrophobicContact CD1-CZ 3.13Å; I70-F102 HydrophobicContact CG1-CZ 4.34Å; I70-F102 HydrophobicContact CG2-CE1 4.04Å; I70-F102 HydrophobicContact CG2-CZ 4.09Å |
| 71 | Y | 88.3 | Confident | 86.3 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 135.6 | -172 | -61.1 | -83 | 0 | 0 | 0 | 110.5 | E13 E15 G55 D56 D69 P73 | E13-Y71 HydrophobicContact CB-CD2 3.84Å; E13-Y71 HydrophobicContact CB-CE2 4.46Å; E13-Y71 HydrophobicContact CG-CD2 3.98Å; E13-Y71 HydrophobicContact CG-CE2 4.44Å; E15-Y71 PolarHBondContact OE1-N 2.86Å; G55-Y71 WeakPolarHBondContact O-CD1 3.08Å; D56-Y71 CarbonylContact O-C 3.33Å; D56-Y71 WeakPolarHBondContact O-CA 3.33Å; D69-Y71 HydrophobicContact CB-CE1 4.32Å; D69-Y71 HydrophobicContact CB-CE2 4.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.38Å; Y71-P73 VanDerWaalsContact O-N 3.15Å |
| 72 | A | 87.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | trans | -62.8 | 116.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V52 A54 G55 D56 C58 V74 | V52-A72 HydrophobicContact CB-CB 4.03Å; V52-A72 HydrophobicContact CG2-CB 3.69Å; A54-A72 CarbonylContact C-O 3.49Å; A54-A72 WeakPolarHBondContact CA-O 3.42Å; G55-A72 PolarHBondContact N-O 3.42Å; D56-A72 PolarHBondContact O-N 3.38Å; C58-A72 HydrophobicContact CB-CB 4.11Å; A72-V74 PolarHBondContact O-N 3.46Å; A72-V74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | P | 82.4 | Confident | 86.1 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -76.8 | -5.1 | -174.6 | 35 | -39.6 | 0 | 0 | 0 | 112.4 | E15 L17 V27 Y71 M114 | E15-P73 HydrophobicContact CB-CB 4.45Å; E15-P73 HydrophobicContact CB-CG 4.49Å; L17-P73 HydrophobicContact CD1-CG 4.07Å; V27-P73 HydrophobicContact CB-CG 4.42Å; V27-P73 HydrophobicContact CG1-CG 3.78Å; V27-P73 HydrophobicContact CG2-CG 3.77Å; Y71-P73 WeakPolarHBondContact O-CD 3.38Å; Y71-P73 VanDerWaalsContact O-N 3.15Å; P73-M114 HydrophobicContact CB-CE 3.57Å; P73-M114 HydrophobicContact CG-CE 4.04Å; P73-M114 VanDerWaalsContact O-CE 3.29Å; P73-M114 WeakPolarHBondContact O-CE 3.22Å |
| 74 | V | 81.4 | Confident | 86 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -153.6 | 160.6 | 178.6 | -104.3 | 0 | 0 | 0 | 0 | 110.3 | L17 A72 F108 P111 M114 | L17-V74 HydrophobicContact CD1-CG2 3.72Å; L17-V74 HydrophobicContact CD2-CG2 3.89Å; L17-V74 HydrophobicContact CG-CG2 4.46Å; A72-V74 PolarHBondContact O-N 3.46Å; A72-V74 VanDerWaalsContact O-N 3.16Å; V74-F108 HydrophobicContact CB-CB 3.96Å; V74-F108 HydrophobicContact CB-CD1 3.68Å; V74-F108 HydrophobicContact CB-CD2 3.84Å; V74-F108 HydrophobicContact CB-CE1 4.02Å; V74-F108 HydrophobicContact CB-CE2 4.15Å; V74-F108 HydrophobicContact CB-CG 3.57Å; V74-F108 HydrophobicContact CB-CZ 4.22Å; V74-F108 HydrophobicContact CG2-CB 3.99Å; V74-F108 HydrophobicContact CG2-CD1 3.83Å; V74-F108 HydrophobicContact CG2-CD2 3.06Å; V74-F108 HydrophobicContact CG2-CE1 4.02Å; V74-F108 HydrophobicContact CG2-CE2 3.26Å; V74-F108 HydrophobicContact CG2-CG 3.37Å; V74-F108 HydrophobicContact CG2-CZ 3.73Å; V74-F108 WeakPolarHBondContact O-CE1 3.26Å; V74-F108 WeakPolarHBondContact O-CZ 3.46Å; V74-P111 HydrophobicContact CG1-CB 3.48Å; V74-P111 VanDerWaalsContact CG1-CB 3.48Å; V74-P111 HydrophobicContact CG1-CG 3.69Å; V74-M114 HydrophobicContact CG1-CE 4.09Å; V74-M114 HydrophobicContact CG2-CE 3.83Å |
| 75 | S | 86 | Confident | 86.2 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | trans | -92.1 | 127.6 | 179.6 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | V52 A54 F108 | V52-S75 CarbonylContact O-C 3.51Å; V52-S75 VanDerWaalsContact O-CA 3.26Å; V52-S75 WeakPolarHBondContact O-CA 3.18Å; A54-S75 PolarHBondContact N-OG 3.28Å; S75-F108 WeakPolarHBondContact O-CD1 3.31Å | ||
| 76 | G | 85.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | -169.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T51 V52 T107 F108 | T51-G76 WeakPolarHBondContact CA-O 3.31Å; V52-G76 PolarHBondContact N-O 2.79Å; V52-G76 PolarHBondContact O-N 3.05Å; G76-T107 VanDerWaalsContact CA-O 3.27Å; G76-T107 WeakPolarHBondContact CA-O 3.29Å; G76-F108 VanDerWaalsContact CA-CD1 3.48Å |
| 77 | E | 87.8 | Confident | 86.5 | Confident | 90 Ų | 90 | 47 Ų | 47 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135 | 179.5 | -173.4 | -176 | 157.3 | 0 | 0 | 110.6 | A50 V79 C106 T107 | A50-E77 WeakPolarHBondContact O-CA 3.46Å; E77-V79 PolarHBondContact O-N 3.04Å; E77-C106 CarbonylContact O-C 3.38Å; E77-C106 WeakPolarHBondContact O-CA 3.17Å; E77-T107 PolarHBondContact N-O 2.81Å; E77-T107 PolarHBondContact O-N 2.79Å; E77-T107 PolarHBondContact O-OG1 2.62Å |
| 78 | I | 88.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.5 | 177.7 | -62.2 | 178 | 0 | 0 | 0 | 108.8 | P46 G49 A50 V52 C58 V81 I104 H105 | P46-I78 HydrophobicContact CB-CD1 3.24Å; P46-I78 HydrophobicContact CB-CG2 4.49Å; P46-I78 HydrophobicContact CG-CD1 3.42Å; P46-I78 VanDerWaalsContact CG-CD1 3.42Å; P46-I78 HydrophobicContact CG-CG2 4.23Å; G49-I78 PolarHBondContact N-O 3.24Å; A50-I78 PolarHBondContact O-N 3.15Å; V52-I78 HydrophobicContact CG1-CD1 3.88Å; V52-I78 HydrophobicContact CG2-CD1 4.27Å; V52-I78 HydrophobicContact CG2-CG1 4.28Å; C58-I78 HydrophobicContact CB-CD1 4.34Å; I78-V81 HydrophobicContact CG2-CG1 3.82Å; I78-I104 HydrophobicContact CB-CG2 4.37Å; I78-I104 HydrophobicContact CD1-CG2 3.95Å; I78-I104 HydrophobicContact CG1-CG2 3.93Å; I78-I104 HydrophobicContact CG2-CG2 3.67Å; I78-H105 CarbonylContact C-O 3.45Å; I78-H105 WeakPolarHBondContact CA-O 3.3Å |
| 79 | V | 89 | Confident | 86.6 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -21.9 | -174.6 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | T24 V48 E77 H105 T107 | T24-V79 HydrophobicContact CG2-CG2 4.34Å; V48-V79 WeakPolarHBondContact CG1-O 3.45Å; E77-V79 PolarHBondContact O-N 3.04Å; V79-H105 HydrophobicContact CG2-CB 3.77Å; V79-H105 WeakPolarHBondContact CG2-O 3.22Å; V79-H105 PolarHBondContact N-O 2.94Å; V79-T107 HydrophobicContact CG1-CG2 3.92Å |
| 80 | A | 87 | Confident | 86.3 | Confident | 38 Ų | 38 | 46 Ų | 46 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 156.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H105 | A80-H105 HydrophobicContact CB-CB 4.01Å; A80-H105 PolarHBondContact N-O 2.99Å; A80-H105 PolarHBondContact O-N 2.85Å |
| 81 | V | 88.6 | Confident | 86.3 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | L45 P46 V48 I78 D83 I104 | L45-V81 HydrophobicContact CB-CG2 4.48Å; L45-V81 HydrophobicContact CD1-CB 4.36Å; L45-V81 HydrophobicContact CD1-CG2 4.13Å; P46-V81 HydrophobicContact CG-CG1 3.8Å; V48-V81 HydrophobicContact CG2-CG2 4.12Å; I78-V81 HydrophobicContact CG2-CG1 3.82Å; V81-D83 WeakPolarHBondContact CG2-OD1 3.26Å; V81-D83 PolarHBondContact O-N 3.38Å; V81-I104 HydrophobicContact CG1-CG2 4.26Å |
| 82 | N | 86.6 | Confident | 86 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | trans | -76.7 | 89.1 | 170 | 179.6 | 22.1 | 0 | 0 | 0 | 110.9 | L45 A84 L85 E100 R101 T103 | L45-N82 WeakPolarHBondContact CD1-O 3.41Å; N82-A84 PolarHBondContact O-N 2.98Å; N82-A84 VanDerWaalsContact OD1-CB 3.28Å; N82-A84 WeakPolarHBondContact OD1-CB 3.45Å; N82-A84 PolarHBondContact OD1-N 3.04Å; N82-L85 HydrophobicContact CB-CD1 4.3Å; N82-L85 HydrophobicContact CB-CG 4.48Å; N82-L85 WeakPolarHBondContact O-CB 3.34Å; N82-L85 PolarHBondContact O-N 3.22Å; N82-E100 WeakPolarHBondContact CB-O 3.42Å; N82-E100 PolarHBondContact ND2-O 3.14Å; N82-R101 PolarHBondContact ND2-O 2.89Å; N82-T103 PolarHBondContact N-O 2.59Å; N82-T103 VanDerWaalsContact N-O 3.16Å | ||
| 83 | D | 85.2 | Confident | 85.8 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.4 | 179.9 | -67.7 | -35.2 | 0 | 0 | 0 | 113.4 | V81 L85 S86 | V81-D83 WeakPolarHBondContact CG2-OD1 3.26Å; V81-D83 PolarHBondContact O-N 3.38Å; D83-L85 PolarHBondContact O-N 3.49Å; D83-L85 VanDerWaalsContact O-N 3.14Å; D83-S86 WeakPolarHBondContact O-CB 2.99Å; D83-S86 PolarHBondContact O-N 3.18Å; D83-S86 VanDerWaalsContact O-N 3.12Å; D83-S86 PolarHBondContact O-OG 2.95Å |
| 84 | A | 85.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 48 Ų | 48 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -20.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N82 S86 D87 S88 L91 | N82-A84 PolarHBondContact O-N 2.98Å; N82-A84 VanDerWaalsContact OD1-CB 3.28Å; N82-A84 WeakPolarHBondContact OD1-CB 3.45Å; N82-A84 PolarHBondContact OD1-N 3.04Å; A84-S86 PolarHBondContact O-N 3.19Å; A84-D87 PolarHBondContact O-N 3.15Å; A84-S88 PolarHBondContact O-N 3.09Å; A84-L91 HydrophobicContact CB-CD1 3.96Å |
| 85 | L | 86.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -22.5 | 176.4 | -78 | 172 | 0 | 0 | 0 | 114.1 | V43 L45 N82 D83 D87 P89 L91 V92 R101 F102 | V43-L85 HydrophobicContact CB-CB 4.33Å; V43-L85 HydrophobicContact CG1-CB 4.47Å; V43-L85 HydrophobicContact CG1-CD1 4.36Å; V43-L85 HydrophobicContact CG2-CD2 4.43Å; L45-L85 HydrophobicContact CD1-CB 4.19Å; L45-L85 HydrophobicContact CD2-CB 4.39Å; L45-L85 HydrophobicContact CD2-CD1 3.94Å; N82-L85 HydrophobicContact CB-CD1 4.3Å; N82-L85 HydrophobicContact CB-CG 4.48Å; N82-L85 WeakPolarHBondContact O-CB 3.34Å; N82-L85 PolarHBondContact O-N 3.22Å; D83-L85 PolarHBondContact O-N 3.49Å; D83-L85 VanDerWaalsContact O-N 3.14Å; L85-D87 VanDerWaalsContact C-N 3.3Å; L85-P89 WeakPolarHBondContact O-CA 3.49Å; L85-L91 HydrophobicContact CD2-CB 3.98Å; L85-V92 HydrophobicContact CD2-CG2 3.41Å; L85-V92 VanDerWaalsContact CD2-CG2 3.41Å; L85-R101 WeakPolarHBondContact CD1-O 3.4Å; L85-R101 WeakPolarHBondContact CD2-O 3.43Å; L85-R101 WeakPolarHBondContact CG-O 3.2Å; L85-F102 HydrophobicContact CD1-CB 4.13Å; L85-F102 HydrophobicContact CD1-CD2 3.41Å; L85-F102 VanDerWaalsContact CD1-CD2 3.41Å; L85-F102 HydrophobicContact CD1-CE2 4.11Å; L85-F102 HydrophobicContact CD1-CG 4.09Å |
| 86 | S | 84.4 | Confident | 84.6 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.7 | -34.8 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | D83 A84 | D83-S86 WeakPolarHBondContact O-CB 2.99Å; D83-S86 PolarHBondContact O-N 3.18Å; D83-S86 VanDerWaalsContact O-N 3.12Å; D83-S86 PolarHBondContact O-OG 2.95Å; A84-S86 PolarHBondContact O-N 3.19Å |
| 87 | D | 85.2 | Confident | 84.2 | Confident | 146 Ų | 146 | 50.5 Ų | 50.5 | 78% | 0.781 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -98.9 | -20.8 | -178.7 | -69.7 | -30.8 | 0 | 0 | 0 | 113 | A84 L85 | A84-D87 PolarHBondContact O-N 3.15Å; L85-D87 VanDerWaalsContact C-N 3.3Å |
| 88 | S | 88 | Confident | 83.1 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | trans | -142.3 | 67.9 | -176.5 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | A84 E90 L91 | A84-S88 PolarHBondContact O-N 3.09Å; S88-E90 VanDerWaalsContact CA-OE2 3.28Å; S88-E90 WeakPolarHBondContact CA-OE2 3.32Å; S88-E90 PolarHBondContact O-N 2.79Å; S88-E90 VanDerWaalsContact O-N 3.15Å; S88-L91 WeakPolarHBondContact O-CB 3.45Å; S88-L91 VanDerWaalsContact O-CG 3.28Å; S88-L91 WeakPolarHBondContact O-CG 3.3Å; S88-L91 PolarHBondContact O-N 3.36Å; S88-L91 VanDerWaalsContact O-N 3.08Å | ||
| 89 | P | 86.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.2 | -22 | -178.1 | 25.1 | -34.2 | 0 | 0 | 0 | 113.2 | M40 V41 V43 L85 L91 V92 | M40-P89 HydrophobicContact CB-CB 4.32Å; M40-P89 VanDerWaalsContact CB-O 3.3Å; M40-P89 WeakPolarHBondContact CB-O 3.46Å; V41-P89 WeakPolarHBondContact O-CG 3.22Å; V43-P89 HydrophobicContact CG2-CB 3.99Å; L85-P89 WeakPolarHBondContact O-CA 3.49Å; P89-L91 PolarHBondContact O-N 3.21Å; P89-L91 VanDerWaalsContact O-N 3.14Å; P89-V92 WeakPolarHBondContact O-CG2 3.16Å; P89-V92 PolarHBondContact O-N 3.4Å |
| 90 | E | 86.1 | Confident | 80.1 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -62.9 | -15.6 | 174.5 | 69.7 | -84.4 | -163.7 | 0 | 0 | 113.8 | S88 V92 N93 | S88-E90 VanDerWaalsContact CA-OE2 3.28Å; S88-E90 WeakPolarHBondContact CA-OE2 3.32Å; S88-E90 PolarHBondContact O-N 2.79Å; S88-E90 VanDerWaalsContact O-N 3.15Å; E90-V92 PolarHBondContact O-N 3.48Å; E90-N93 PolarHBondContact O-N 2.96Å |
| 91 | L | 85.6 | Confident | 79.2 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -58.1 | -32.6 | 175.7 | -72.3 | 172.4 | 0 | 0 | 0 | 111.7 | A84 L85 S88 P89 N93 S94 R101 | A84-L91 HydrophobicContact CB-CD1 3.96Å; L85-L91 HydrophobicContact CD2-CB 3.98Å; S88-L91 WeakPolarHBondContact O-CB 3.45Å; S88-L91 VanDerWaalsContact O-CG 3.28Å; S88-L91 WeakPolarHBondContact O-CG 3.3Å; S88-L91 PolarHBondContact O-N 3.36Å; S88-L91 VanDerWaalsContact O-N 3.08Å; P89-L91 PolarHBondContact O-N 3.21Å; P89-L91 VanDerWaalsContact O-N 3.14Å; L91-N93 PolarHBondContact O-N 3.4Å; L91-S94 PolarHBondContact O-N 2.75Å; L91-S94 VanDerWaalsContact O-N 3.16Å; L91-S94 PolarHBondContact O-OG 3.21Å; L91-R101 HydrophobicContact CB-CB 4.25Å; L91-R101 WeakPolarHBondContact O-CB 3.44Å; L91-R101 WeakPolarHBondContact O-CD 3.39Å |
| 92 | V | 82.2 | Confident | 78.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -54.8 | -37.1 | 175.6 | -179 | 0 | 0 | 0 | 0 | 111.9 | I29 Q34 M40 V43 L85 P89 E90 S94 F102 | I29-V92 HydrophobicContact CD1-CG1 3.44Å; I29-V92 VanDerWaalsContact CD1-CG1 3.44Å; I29-V92 HydrophobicContact CG1-CG1 4.07Å; Q34-V92 HydrophobicContact CB-CG1 4.19Å; M40-V92 HydrophobicContact CG-CB 3.98Å; M40-V92 HydrophobicContact CG-CG1 4.25Å; M40-V92 HydrophobicContact CG-CG2 4.42Å; V43-V92 HydrophobicContact CG2-CG2 3.97Å; L85-V92 HydrophobicContact CD2-CG2 3.41Å; L85-V92 VanDerWaalsContact CD2-CG2 3.41Å; P89-V92 WeakPolarHBondContact O-CG2 3.16Å; P89-V92 PolarHBondContact O-N 3.4Å; E90-V92 PolarHBondContact O-N 3.48Å; V92-S94 VanDerWaalsContact C-N 3.3Å; V92-S94 PolarHBondContact O-N 2.74Å; V92-F102 HydrophobicContact CG1-CB 4.5Å; V92-F102 HydrophobicContact CG2-CB 4.18Å; V92-F102 HydrophobicContact CG2-CD2 3.97Å; V92-F102 HydrophobicContact CG2-CG 4.47Å |
| 93 | N | 83.8 | Confident | 77.3 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -80.4 | -7.9 | -174.7 | -62.7 | 121.8 | 0 | 0 | 0 | 114 | Q34 G38 M40 E90 L91 | Q34-N93 PolarHBondContact OE1-ND2 2.84Å; G38-N93 PolarHBondContact O-ND2 2.82Å; G38-N93 PolarHBondContact O-OD1 3.38Å; M40-N93 WeakPolarHBondContact CB-OD1 3.45Å; M40-N93 WeakPolarHBondContact CG-OD1 3.42Å; M40-N93 PolarHBondContact N-OD1 3.43Å; M40-N93 VanDerWaalsContact N-OD1 3.13Å; E90-N93 PolarHBondContact O-N 2.96Å; L91-N93 PolarHBondContact O-N 3.4Å |
| 94 | S | 76.5 | Confident | 76.7 | Confident | 59 Ų | 59 | 48.1 Ų | 48.1 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -35.7 | -163 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | L91 V92 R101 | L91-S94 PolarHBondContact O-N 2.75Å; L91-S94 VanDerWaalsContact O-N 3.16Å; L91-S94 PolarHBondContact O-OG 3.21Å; V92-S94 VanDerWaalsContact C-N 3.3Å; V92-S94 PolarHBondContact O-N 2.74Å; S94-R101 WeakPolarHBondContact OG-CD 3.16Å; S94-R101 PolarHBondContact OG-NH1 2.76Å |
| 95 | E | 74 | Confident | 76.2 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | trans | -150.7 | 91 | 173.3 | -85.9 | 168.8 | -136.7 | 0 | 0 | 109.6 | Y97 A98 R101 | E95-Y97 VanDerWaalsContact C-N 3.26Å; E95-Y97 PolarHBondContact O-N 3.49Å; E95-A98 HydrophobicContact CB-CB 4.23Å; E95-A98 VanDerWaalsContact CB-O 3.23Å; E95-A98 WeakPolarHBondContact CB-O 2.75Å; E95-A98 HydrophobicContact CG-CB 4.46Å; E95-A98 VanDerWaalsContact O-O 3.05Å; E95-A98 WeakPolarHBondContact OE2-CB 3.38Å; E95-R101 VanDerWaalsContact CD-CZ 3.44Å; E95-R101 VanDerWaalsContact CG-NH1 3.34Å; E95-R101 IonicContact OE1-CZ 3.31Å; E95-R101 VanDerWaalsContact OE1-CZ 3.31Å; E95-R101 IonicContact OE1-NH1 3.21Å; E95-R101 PolarHBondContact OE1-NH1 2.9Å; E95-R101 IonicContact OE1-NH2 2.74Å; E95-R101 PolarHBondContact OE1-NH2 2.85Å; E95-R101 IonicContact OE2-CZ 3.81Å; E95-R101 IonicContact OE2-NH2 3.48Å; E95-R101 PolarHBondContact OE2-NH2 2.83Å | ||
| 96 | P | 74.3 | Confident | 75.5 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 16% | 0.156 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -68.4 | -20.2 | -170.5 | 20.6 | -29.8 | 0 | 0 | 0 | 114.7 | W16 I29 E31 Q34 | W16-P96 WeakPolarHBondContact CZ2-O 3.35Å; W16-P96 PolarHBondContact NE1-O 2.65Å; I29-P96 VanDerWaalsContact O-O 3.09Å; E31-P96 HydrophobicContact CB-CB 4.15Å; E31-P96 HydrophobicContact CB-CG 3.57Å; E31-P96 HydrophobicContact CG-CG 3.92Å; Q34-P96 HydrophobicContact CG-CB 4.2Å |
| 97 | Y | 78.2 | Confident | 74.9 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -115.8 | -11.5 | -178.4 | -57.5 | -65.4 | 0 | 0 | 0 | 114 | N3 P5 L8 Y10 W16 T30 E31 E95 | N3-Y97 WeakPolarHBondContact O-CD2 3.27Å; N3-Y97 WeakPolarHBondContact O-CE2 3.31Å; P5-Y97 HydrophobicContact CG-CD1 3.84Å; P5-Y97 HydrophobicContact CG-CD2 4.15Å; P5-Y97 HydrophobicContact CG-CG 3.59Å; L8-Y97 HydrophobicContact CD1-CD1 3.83Å; Y10-Y97 HydrophobicContact CE1-CE1 4.17Å; W16-Y97 AromaticContact CD1-CD1 3.78Å; W16-Y97 AromaticContact CD1-CE1 3.89Å; W16-Y97 HydrophobicContact CG-CD1 4.4Å; W16-Y97 AromaticContact NE1-CD1 3.8Å; T30-Y97 HydrophobicContact CG2-CE1 4.19Å; E31-Y97 HydrophobicContact CB-CE2 3.77Å; E31-Y97 PolarHBondContact N-OH 3.37Å; E95-Y97 VanDerWaalsContact C-N 3.26Å; E95-Y97 PolarHBondContact O-N 3.49Å |
| 98 | A | 64.7 | Low | 74 | Confident | 44 Ų | 44 | 41.4 Ų | 41.4 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -124.8 | 138.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E95 | E95-A98 HydrophobicContact CB-CB 4.23Å; E95-A98 VanDerWaalsContact CB-O 3.23Å; E95-A98 WeakPolarHBondContact CB-O 2.75Å; E95-A98 HydrophobicContact CG-CB 4.46Å; E95-A98 VanDerWaalsContact O-O 3.05Å; E95-A98 WeakPolarHBondContact OE2-CB 3.38Å |
| 99 | G | 57.5 | Low | 72.7 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 76 | 156.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | R101 | G99-R101 PolarHBondContact O-N 2.84Š|
| 100 | E | 57.4 | Low | 71.3 | Confident | 130 Ų | 130 | 53.7 Ų | 53.7 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -67.2 | 25.7 | 178.3 | -65.4 | 172 | 169.9 | 0 | 0 | 112.5 | N82 T103 | N82-E100 WeakPolarHBondContact CB-O 3.42Å; N82-E100 PolarHBondContact ND2-O 3.14Å; E100-T103 VanDerWaalsContact CA-OG1 3.26Å; E100-T103 WeakPolarHBondContact CA-OG1 3.5Å; E100-T103 WeakPolarHBondContact CB-OG1 3.23Å; E100-T103 PolarHBondContact O-OG1 3.15Å |
| 101 | R | 66.4 | Low | 69.8 | Low | 69 Ų | 69 | 49.3 Ų | 49.3 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -69.4 | -46.3 | -165.6 | -63.6 | -159.9 | -177.3 | 149.4 | 14.8 | 112.1 | N82 L85 L91 S94 E95 G99 | N82-R101 PolarHBondContact ND2-O 2.89Å; L85-R101 WeakPolarHBondContact CD1-O 3.4Å; L85-R101 WeakPolarHBondContact CD2-O 3.43Å; L85-R101 WeakPolarHBondContact CG-O 3.2Å; L91-R101 HydrophobicContact CB-CB 4.25Å; L91-R101 WeakPolarHBondContact O-CB 3.44Å; L91-R101 WeakPolarHBondContact O-CD 3.39Å; S94-R101 WeakPolarHBondContact OG-CD 3.16Å; S94-R101 PolarHBondContact OG-NH1 2.76Å; E95-R101 VanDerWaalsContact CD-CZ 3.44Å; E95-R101 VanDerWaalsContact CG-NH1 3.34Å; E95-R101 IonicContact OE1-CZ 3.31Å; E95-R101 VanDerWaalsContact OE1-CZ 3.31Å; E95-R101 IonicContact OE1-NH1 3.21Å; E95-R101 PolarHBondContact OE1-NH1 2.9Å; E95-R101 IonicContact OE1-NH2 2.74Å; E95-R101 PolarHBondContact OE1-NH2 2.85Å; E95-R101 IonicContact OE2-CZ 3.81Å; E95-R101 IonicContact OE2-NH2 3.48Å; E95-R101 PolarHBondContact OE2-NH2 2.83Å; G99-R101 PolarHBondContact O-N 2.84Å |
| 102 | F | 66.8 | Low | 68.4 | Low | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -124.1 | 95.8 | 158.3 | -173.1 | -84.8 | 0 | 0 | 0 | 109 | G28 I29 V43 L45 A59 I70 L85 V92 I104 | G28-F102 VanDerWaalsContact CA-O 3.3Å; G28-F102 WeakPolarHBondContact CA-O 3.44Å; I29-F102 HydrophobicContact CG2-CD1 4.05Å; I29-F102 HydrophobicContact CG2-CE1 4.02Å; V43-F102 HydrophobicContact CG1-CD2 4.27Å; V43-F102 HydrophobicContact CG1-CE2 3.75Å; L45-F102 HydrophobicContact CD2-CE2 4.45Å; A59-F102 HydrophobicContact CB-CE2 4.38Å; A59-F102 HydrophobicContact CB-CZ 3.91Å; I70-F102 HydrophobicContact CB-CZ 4.48Å; I70-F102 HydrophobicContact CD1-CD2 4.32Å; I70-F102 HydrophobicContact CD1-CE1 3.74Å; I70-F102 HydrophobicContact CD1-CE2 3.45Å; I70-F102 VanDerWaalsContact CD1-CE2 3.45Å; I70-F102 HydrophobicContact CD1-CZ 3.13Å; I70-F102 HydrophobicContact CG1-CZ 4.34Å; I70-F102 HydrophobicContact CG2-CE1 4.04Å; I70-F102 HydrophobicContact CG2-CZ 4.09Å; L85-F102 HydrophobicContact CD1-CB 4.13Å; L85-F102 HydrophobicContact CD1-CD2 3.41Å; L85-F102 VanDerWaalsContact CD1-CD2 3.41Å; L85-F102 HydrophobicContact CD1-CE2 4.11Å; L85-F102 HydrophobicContact CD1-CG 4.09Å; V92-F102 HydrophobicContact CG1-CB 4.5Å; V92-F102 HydrophobicContact CG2-CB 4.18Å; V92-F102 HydrophobicContact CG2-CD2 3.97Å; V92-F102 HydrophobicContact CG2-CG 4.47Å; F102-I104 HydrophobicContact CE1-CD1 4.1Å; F102-I104 HydrophobicContact CE1-CG1 4.31Å; F102-I104 HydrophobicContact CZ-CD1 3.93Å; F102-I104 HydrophobicContact CZ-CG1 4.3Å |
| 103 | T | 68.5 | Low | 67.1 | Low | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | trans | -133.6 | 126.2 | 179.3 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | W16 T26 V27 N82 E100 | W16-T103 HydrophobicContact CH2-CG2 4.12Å; T26-T103 HydrophobicContact CG2-CG2 3.25Å; V27-T103 VanDerWaalsContact O-CA 3.29Å; V27-T103 WeakPolarHBondContact O-CA 3.33Å; N82-T103 PolarHBondContact N-O 2.59Å; N82-T103 VanDerWaalsContact N-O 3.16Å; E100-T103 VanDerWaalsContact CA-OG1 3.26Å; E100-T103 WeakPolarHBondContact CA-OG1 3.5Å; E100-T103 WeakPolarHBondContact CB-OG1 3.23Å; E100-T103 PolarHBondContact O-OG1 3.15Å | ||
| 104 | I | 73.1 | Confident | 66 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114.9 | 166.9 | -54.3 | 167.9 | 0 | 0 | 0 | 106.2 | V27 P46 A59 I78 V81 F102 C106 | V27-I104 HydrophobicContact CB-CB 4.34Å; V27-I104 PolarHBondContact N-O 2.78Å; V27-I104 PolarHBondContact O-N 2.81Å; P46-I104 HydrophobicContact CG-CD1 3.94Å; P46-I104 HydrophobicContact CG-CG1 4.22Å; P46-I104 HydrophobicContact CG-CG2 4.02Å; A59-I104 HydrophobicContact CB-CD1 4.09Å; I78-I104 HydrophobicContact CB-CG2 4.37Å; I78-I104 HydrophobicContact CD1-CG2 3.95Å; I78-I104 HydrophobicContact CG1-CG2 3.93Å; I78-I104 HydrophobicContact CG2-CG2 3.67Å; V81-I104 HydrophobicContact CG1-CG2 4.26Å; F102-I104 HydrophobicContact CE1-CD1 4.1Å; F102-I104 HydrophobicContact CE1-CG1 4.31Å; F102-I104 HydrophobicContact CZ-CD1 3.93Å; F102-I104 HydrophobicContact CZ-CG1 4.3Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å |
| 105 | H | 75.2 | Confident | 65.5 | Low | 31 Ų | 31 | 61.6 Ų | 61.6 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.1 | 177 | -62.4 | -91.2 | 0 | 0 | 0 | 109.2 | Y25 T26 I78 V79 A80 | Y25-H105 CarbonylContact O-C 3.56Å; Y25-H105 WeakPolarHBondContact O-CA 3.22Å; T26-H105 PolarHBondContact OG1-CE1 3.08Å; T26-H105 VanDerWaalsContact OG1-CE1 3.22Å; T26-H105 PolarHBondContact OG1-ND1 3.21Å; T26-H105 VanDerWaalsContact OG1-ND1 3.14Å; I78-H105 CarbonylContact C-O 3.45Å; I78-H105 WeakPolarHBondContact CA-O 3.3Å; V79-H105 HydrophobicContact CG2-CB 3.77Å; V79-H105 WeakPolarHBondContact CG2-O 3.22Å; V79-H105 PolarHBondContact N-O 2.94Å; A80-H105 HydrophobicContact CB-CB 4.01Å; A80-H105 PolarHBondContact N-O 2.99Å; A80-H105 PolarHBondContact O-N 2.85Å |
| 106 | C | 71.4 | Confident | 65.4 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.2 | -175 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | Y25 E77 I104 F108 | Y25-C106 PolarHBondContact N-O 3.48Å; Y25-C106 PolarHBondContact O-N 2.91Å; E77-C106 CarbonylContact O-C 3.38Å; E77-C106 WeakPolarHBondContact O-CA 3.17Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å; C106-F108 HydrophobicContact CB-CD1 4.06Å; C106-F108 HydrophobicContact CB-CD2 3.65Å; C106-F108 HydrophobicContact CB-CE1 3.64Å; C106-F108 HydrophobicContact CB-CE2 3.17Å; C106-F108 HydrophobicContact CB-CG 4.1Å; C106-F108 HydrophobicContact CB-CZ 3.19Å; C106-F108 WeakPolarHBondContact SG-CZ 3.27Å |
| 107 | T | 72.5 | Confident | 65.5 | Low | 67 Ų | 67 | 63.9 Ų | 63.9 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 99.6 | 168.7 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | T24 G76 E77 V79 | T24-T107 HydrophobicContact CG2-CG2 4.11Å; G76-T107 VanDerWaalsContact CA-O 3.27Å; G76-T107 WeakPolarHBondContact CA-O 3.29Å; E77-T107 PolarHBondContact N-O 2.81Å; E77-T107 PolarHBondContact O-N 2.79Å; E77-T107 PolarHBondContact O-OG1 2.62Å; V79-T107 HydrophobicContact CG1-CG2 3.92Å |
| 108 | F | 65.7 | Low | 65.8 | Low | 17 Ų | 17 | 68.3 Ų | 68.3 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.1 | -176.8 | -65.3 | -51.2 | 0 | 0 | 0 | 113.1 | L17 Y25 V27 V52 V74 S75 G76 C106 | L17-F108 HydrophobicContact CD1-CD2 3.92Å; L17-F108 HydrophobicContact CD1-CE2 3.85Å; Y25-F108 HydrophobicContact CD2-CB 3.74Å; Y25-F108 HydrophobicContact CD2-CD2 4.13Å; Y25-F108 HydrophobicContact CD2-CG 4.38Å; Y25-F108 HydrophobicContact CE2-CB 4.01Å; Y25-F108 WeakPolarHBondContact CE2-O 3.1Å; Y25-F108 HydrophobicContact CG-CB 4.46Å; Y25-F108 HydrophobicContact CG-CD2 4.12Å; V27-F108 HydrophobicContact CG2-CE2 3.66Å; V27-F108 HydrophobicContact CG2-CZ 4.2Å; V52-F108 HydrophobicContact CG2-CE1 4.46Å; V74-F108 HydrophobicContact CB-CB 3.96Å; V74-F108 HydrophobicContact CB-CD1 3.68Å; V74-F108 HydrophobicContact CB-CD2 3.84Å; V74-F108 HydrophobicContact CB-CE1 4.02Å; V74-F108 HydrophobicContact CB-CE2 4.15Å; V74-F108 HydrophobicContact CB-CG 3.57Å; V74-F108 HydrophobicContact CB-CZ 4.22Å; V74-F108 HydrophobicContact CG2-CB 3.99Å; V74-F108 HydrophobicContact CG2-CD1 3.83Å; V74-F108 HydrophobicContact CG2-CD2 3.06Å; V74-F108 HydrophobicContact CG2-CE1 4.02Å; V74-F108 HydrophobicContact CG2-CE2 3.26Å; V74-F108 HydrophobicContact CG2-CG 3.37Å; V74-F108 HydrophobicContact CG2-CZ 3.73Å; V74-F108 WeakPolarHBondContact O-CE1 3.26Å; V74-F108 WeakPolarHBondContact O-CZ 3.46Å; S75-F108 WeakPolarHBondContact O-CD1 3.31Å; G76-F108 VanDerWaalsContact CA-CD1 3.48Å; C106-F108 HydrophobicContact CB-CD1 4.06Å; C106-F108 HydrophobicContact CB-CD2 3.65Å; C106-F108 HydrophobicContact CB-CE1 3.64Å; C106-F108 HydrophobicContact CB-CE2 3.17Å; C106-F108 HydrophobicContact CB-CG 4.1Å; C106-F108 HydrophobicContact CB-CZ 3.19Å; C106-F108 WeakPolarHBondContact SG-CZ 3.27Å |
| 109 | Q | 59.5 | Low | 66.4 | Low | 173 Ų | 173 | 69.2 Ų | 69.2 | 81% | 0.808 | 38% | 0.376 | S | S | * | . | trans | -67.4 | 141.8 | 157.2 | -77 | -171.6 | -14.8 | 0 | 0 | 109 | ||||
| 110 | E | 57.5 | Low | 67.3 | Low | 140 Ų | 140 | 68.7 Ų | 68.7 | 65% | 0.654 | 36% | 0.362 | S | S | * | . | trans | -48.7 | 126 | -171.9 | -153.1 | 169.7 | -139.9 | 0 | 0 | 111.2 | S112 | E110-S112 PolarHBondContact O-N 2.82Š| ||
| 111 | P | 54.7 | Low | 68.7 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | trans | -60.8 | 110.3 | -171.3 | -14.3 | 20.7 | 0 | 0 | 0 | 110.6 | K9 L17 V74 L113 M114 | K9-P111 HydrophobicContact CD-CG 4.47Å; L17-P111 HydrophobicContact CD2-CG 3.53Å; V74-P111 HydrophobicContact CG1-CB 3.48Å; V74-P111 VanDerWaalsContact CG1-CB 3.48Å; V74-P111 HydrophobicContact CG1-CG 3.69Å; P111-L113 PolarHBondContact O-N 3.41Å; P111-M114 HydrophobicContact CB-CB 4.05Å; P111-M114 HydrophobicContact CB-CE 3.92Å; P111-M114 HydrophobicContact CB-CG 3.67Å; P111-M114 HydrophobicContact CB-SD 3.83Å; P111-M114 HydrophobicContact CG-CE 3.99Å; P111-M114 HydrophobicContact CG-CG 4.35Å; P111-M114 HydrophobicContact CG-SD 3.85Å | ||
| 112 | S | 56.2 | Low | 69.6 | Low | 120 Ų | 120 | 70.2 Ų | 70.2 | 84% | 0.839 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.5 | 173.7 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | E110 | E110-S112 PolarHBondContact O-N 2.82Š|
| 113 | L | 55.5 | Low | 70.7 | Confident | 154 Ų | 154 | 73.2 Ų | 73.2 | 81% | 0.806 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 9 | -169.6 | -83.7 | 157.3 | 0 | 0 | 0 | 115.2 | P111 | P111-L113 PolarHBondContact O-N 3.41Š|
| 114 | M | 59.6 | Low | 71.7 | Confident | 28 Ų | 28 | 75.9 Ų | 75.9 | 14% | 0.138 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 119 | 176.1 | -69.9 | -171.8 | -166 | 0 | 0 | 111.8 | K9 L17 P73 V74 P111 | K9-M114 HydrophobicContact CB-CB 3.97Å; K9-M114 HydrophobicContact CB-CG 4.23Å; K9-M114 HydrophobicContact CB-SD 3.3Å; K9-M114 WeakPolarHBondContact CB-SD 3.21Å; K9-M114 HydrophobicContact CD-CB 3.9Å; K9-M114 HydrophobicContact CD-SD 3.89Å; K9-M114 HydrophobicContact CG-CB 4.43Å; K9-M114 HydrophobicContact CG-SD 4.24Å; L17-M114 HydrophobicContact CB-CE 3.77Å; L17-M114 HydrophobicContact CB-SD 3.78Å; L17-M114 HydrophobicContact CD1-CE 4.42Å; L17-M114 HydrophobicContact CD2-CE 3.56Å; L17-M114 HydrophobicContact CD2-SD 3.74Å; L17-M114 HydrophobicContact CG-CE 4.11Å; L17-M114 HydrophobicContact CG-SD 4.38Å; P73-M114 HydrophobicContact CB-CE 3.57Å; P73-M114 HydrophobicContact CG-CE 4.04Å; P73-M114 VanDerWaalsContact O-CE 3.29Å; P73-M114 WeakPolarHBondContact O-CE 3.22Å; V74-M114 HydrophobicContact CG1-CE 4.09Å; V74-M114 HydrophobicContact CG2-CE 3.83Å; P111-M114 HydrophobicContact CB-CB 4.05Å; P111-M114 HydrophobicContact CB-CE 3.92Å; P111-M114 HydrophobicContact CB-CG 3.67Å; P111-M114 HydrophobicContact CB-SD 3.83Å; P111-M114 HydrophobicContact CG-CE 3.99Å; P111-M114 HydrophobicContact CG-CG 4.35Å; P111-M114 HydrophobicContact CG-SD 3.85Å |
| 115 | T | 67 | Low | 72.5 | Confident | 110 Ų | 110 | 76.7 Ų | 76.7 | 68% | 0.675 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 136.8 | 175.8 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 116 | Q | 71.2 | Confident | 73.4 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 142.2 | 164.6 | -67.7 | 173.7 | -76.9 | 0 | 0 | 109.3 | Q120 L121 | Q116-Q120 HydrophobicContact CB-CB 4.16Å; Q116-L121 HydrophobicContact CB-CD1 4.45Å; Q116-L121 HydrophobicContact CB-CD2 3.97Å; Q116-L121 HydrophobicContact CB-CG 3.91Å |
| 117 | T | 77.6 | Confident | 74.6 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 23% | 0.233 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 157 | 168.6 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | Y10 S119 Q120 L121 | Y10-T117 HydrophobicContact CD2-CG2 3.78Å; Y10-T117 HydrophobicContact CE2-CG2 4.1Å; T117-S119 VanDerWaalsContact C-N 3.25Å; T117-S119 PolarHBondContact O-N 2.83Å; T117-S119 PolarHBondContact OG1-OG 3.06Å; T117-S119 VanDerWaalsContact OG1-OG 3.05Å; T117-Q120 WeakPolarHBondContact O-CB 3.36Å; T117-Q120 PolarHBondContact O-N 2.87Å; T117-Q120 VanDerWaalsContact OG1-CD 3.28Å; T117-Q120 VanDerWaalsContact OG1-CG 3.26Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.26Å; T117-Q120 PolarHBondContact OG1-N 3.13Å; T117-Q120 PolarHBondContact OG1-OE1 3.21Å; T117-L121 PolarHBondContact O-N 3.34Å; T117-L121 VanDerWaalsContact O-N 3.13Å |
| 118 | L | 83.2 | Confident | 75.8 | Confident | 123 Ų | 123 | 74.2 Ų | 74.2 | 64% | 0.644 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.7 | -39.1 | 176.5 | -179.9 | 60.8 | 0 | 0 | 0 | 111.7 | Q120 L121 E122 | L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 2.7Å; L118-L121 CarbonylContact O-C 3.56Å; L118-L121 WeakPolarHBondContact O-CA 3.43Å; L118-L121 WeakPolarHBondContact O-CB 3.49Å; L118-L121 PolarHBondContact O-N 3.05Å; L118-E122 HydrophobicContact CD1-CG 4.28Å; L118-E122 HydrophobicContact CG-CG 4.26Å; L118-E122 WeakPolarHBondContact O-CG 3.49Å; L118-E122 PolarHBondContact O-N 3.33Å |
| 119 | S | 78.1 | Confident | 77.3 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 178.1 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | T117 L121 E122 N123 | T117-S119 VanDerWaalsContact C-N 3.25Å; T117-S119 PolarHBondContact O-N 2.83Å; T117-S119 PolarHBondContact OG1-OG 3.06Å; T117-S119 VanDerWaalsContact OG1-OG 3.05Å; S119-L121 VanDerWaalsContact C-N 3.33Å; S119-E122 PolarHBondContact O-N 3Å; S119-N123 PolarHBondContact O-N 3.08Å |
| 120 | Q | 76.8 | Confident | 79.1 | Confident | 31 Ų | 31 | 79.8 Ų | 79.8 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 172.1 | -75.2 | 164.6 | -41.5 | 0 | 0 | 111.7 | A6 L8 Q116 T117 L118 N123 | A6-Q120 HydrophobicContact CB-CG 4.13Å; A6-Q120 WeakPolarHBondContact O-CG 3.48Å; A6-Q120 PolarHBondContact O-NE2 3.47Å; L8-Q120 PolarHBondContact O-NE2 2.79Å; Q116-Q120 HydrophobicContact CB-CB 4.16Å; T117-Q120 WeakPolarHBondContact O-CB 3.36Å; T117-Q120 PolarHBondContact O-N 2.87Å; T117-Q120 VanDerWaalsContact OG1-CD 3.28Å; T117-Q120 VanDerWaalsContact OG1-CG 3.26Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.26Å; T117-Q120 PolarHBondContact OG1-N 3.13Å; T117-Q120 PolarHBondContact OG1-OE1 3.21Å; L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 2.7Å; Q120-N123 PolarHBondContact O-N 3.07Å |
| 121 | L | 85.3 | Confident | 81 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73.6 | -29.2 | 178.7 | -66.9 | 172.6 | 0 | 0 | 0 | 113.1 | Q116 T117 L118 S119 N123 | Q116-L121 HydrophobicContact CB-CD1 4.45Å; Q116-L121 HydrophobicContact CB-CD2 3.97Å; Q116-L121 HydrophobicContact CB-CG 3.91Å; T117-L121 PolarHBondContact O-N 3.34Å; T117-L121 VanDerWaalsContact O-N 3.13Å; L118-L121 CarbonylContact O-C 3.56Å; L118-L121 WeakPolarHBondContact O-CA 3.43Å; L118-L121 WeakPolarHBondContact O-CB 3.49Å; L118-L121 PolarHBondContact O-N 3.05Å; S119-L121 VanDerWaalsContact C-N 3.33Å; L121-N123 VanDerWaalsContact C-N 3.29Å |
| 122 | E | 87.2 | Confident | 83.1 | Confident | 123 Ų | 123 | 72.8 Ų | 72.8 | 58% | 0.575 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70 | -27.1 | 174 | -75 | 176 | 151.2 | 0 | 0 | 112.3 | L118 S119 S124 | L118-E122 HydrophobicContact CD1-CG 4.28Å; L118-E122 HydrophobicContact CG-CG 4.26Å; L118-E122 WeakPolarHBondContact O-CG 3.49Å; L118-E122 PolarHBondContact O-N 3.33Å; S119-E122 PolarHBondContact O-N 3Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-S124 PolarHBondContact O-N 3.41Å |
| 123 | N | 88.8 | Confident | 85.1 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 52.6 | 174.8 | -167.2 | 10.3 | 0 | 0 | 0 | 113.1 | S119 Q120 L121 G125 A126 | S119-N123 PolarHBondContact O-N 3.08Å; Q120-N123 PolarHBondContact O-N 3.07Å; L121-N123 VanDerWaalsContact C-N 3.29Å; N123-G125 PolarHBondContact O-N 3.49Å; N123-G125 VanDerWaalsContact O-N 3.1Å; N123-A126 VanDerWaalsContact O-CB 3.29Å; N123-A126 WeakPolarHBondContact O-CB 3.47Å; N123-A126 PolarHBondContact O-N 2.87Å; N123-A126 PolarHBondContact OD1-N 3.47Å |
| 124 | S | 89.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.8 | -177.7 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | E122 P174 A175 T176 | E122-S124 VanDerWaalsContact C-N 3.34Å; E122-S124 PolarHBondContact O-N 3.41Å; S124-P174 CarbonylContact O-C 3.55Å; S124-A175 CarbonylContact O-C 3.59Å; S124-A175 WeakPolarHBondContact O-CA 3.36Å; S124-A175 PolarHBondContact O-N 3.49Å; S124-T176 PolarHBondContact O-N 3.44Å |
| 125 | G | 89.8 | Confident | 88.9 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 5.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N123 F127 I128 | N123-G125 PolarHBondContact O-N 3.49Å; N123-G125 VanDerWaalsContact O-N 3.1Å; G125-F127 PolarHBondContact O-N 3.43Å; G125-I128 WeakPolarHBondContact O-CB 3.5Å; G125-I128 WeakPolarHBondContact O-CG1 3.46Å; G125-I128 PolarHBondContact O-N 3.29Å |
| 126 | A | 93.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -34.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N123 I128 E129 | N123-A126 VanDerWaalsContact O-CB 3.29Å; N123-A126 WeakPolarHBondContact O-CB 3.47Å; N123-A126 PolarHBondContact O-N 2.87Å; N123-A126 PolarHBondContact OD1-N 3.47Å; A126-I128 VanDerWaalsContact C-N 3.27Å; A126-I128 PolarHBondContact O-N 3.43Å; A126-E129 PolarHBondContact O-N 3.45Å |
| 127 | F | 98 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30 | 179.6 | -177.8 | -107.2 | 0 | 0 | 0 | 112.9 | G125 E129 R130 H131 E177 A631 E634 Y882 M885 M886 | G125-F127 PolarHBondContact O-N 3.43Å; F127-E129 PolarHBondContact O-N 3.32Å; F127-R130 HydrophobicContact CD2-CB 4.35Å; F127-R130 WeakPolarHBondContact O-CA 3.21Å; F127-R130 WeakPolarHBondContact O-CB 3.49Å; F127-R130 PolarHBondContact O-N 3.1Å; F127-H131 HydrophobicContact CD1-CB 4.36Å; F127-H131 HydrophobicContact CE1-CB 3.9Å; F127-H131 HydrophobicContact CZ-CB 4.05Å; F127-H131 PolarHBondContact O-N 3.3Å; F127-E177 HydrophobicContact CB-CG 4.38Å; F127-E177 HydrophobicContact CD2-CG 3.71Å; F127-E177 HydrophobicContact CE2-CG 4.49Å; F127-E177 HydrophobicContact CG-CG 4.38Å; F127-A631 HydrophobicContact CE2-CB 3.67Å; F127-A631 HydrophobicContact CZ-CB 3.82Å; F127-E634 WeakPolarHBondContact CZ-OE1 3.29Å; F127-Y882 HydrophobicContact CE1-CD2 4.34Å; F127-M885 HydrophobicContact CB-CB 4.01Å; F127-M885 HydrophobicContact CD1-CB 3.38Å; F127-M885 HydrophobicContact CD1-CE 4.01Å; F127-M885 HydrophobicContact CD1-CG 4.43Å; F127-M885 HydrophobicContact CD1-SD 4.35Å; F127-M885 HydrophobicContact CD2-CE 4.02Å; F127-M885 HydrophobicContact CD2-SD 4.05Å; F127-M885 HydrophobicContact CE1-CB 4Å; F127-M885 HydrophobicContact CE1-CE 3.67Å; F127-M885 HydrophobicContact CE2-CE 3.69Å; F127-M885 HydrophobicContact CE2-SD 4.29Å; F127-M885 HydrophobicContact CG-CB 3.74Å; F127-M885 HydrophobicContact CG-CE 4.17Å; F127-M885 HydrophobicContact CG-CG 4.47Å; F127-M885 HydrophobicContact CG-SD 4.07Å; F127-M885 HydrophobicContact CZ-CE 3.5Å; F127-M885 VanDerWaalsContact CZ-CE 3.5Å; F127-M886 HydrophobicContact CD1-CG 4.01Å; F127-M886 HydrophobicContact CD1-SD 3.66Å; F127-M886 HydrophobicContact CE1-CG 3.93Å; F127-M886 HydrophobicContact CE1-SD 3.81Å |
| 128 | I | 97.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 178.2 | -59.1 | 170.6 | 0 | 0 | 0 | 110.3 | G125 A126 R130 I132 P174 M886 K893 | G125-I128 WeakPolarHBondContact O-CB 3.5Å; G125-I128 WeakPolarHBondContact O-CG1 3.46Å; G125-I128 PolarHBondContact O-N 3.29Å; A126-I128 VanDerWaalsContact C-N 3.27Å; A126-I128 PolarHBondContact O-N 3.43Å; I128-R130 VanDerWaalsContact C-N 3.29Å; I128-R130 PolarHBondContact O-N 2.98Å; I128-I132 HydrophobicContact CG2-CD1 3.84Å; I128-I132 WeakPolarHBondContact O-CB 3.46Å; I128-I132 WeakPolarHBondContact O-CG1 3.44Å; I128-I132 PolarHBondContact O-N 2.91Å; I128-P174 HydrophobicContact CD1-CB 4.22Å; I128-P174 HydrophobicContact CD1-CG 4.29Å; I128-M886 HydrophobicContact CG1-SD 4.07Å; I128-K893 HydrophobicContact CG2-CD 4.18Å |
| 129 | E | 95.4 | Very high | 93.1 | Very high | 135 Ų | 135 | 54.3 Ų | 54.3 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76.9 | -12.4 | 177.4 | -59 | 180 | 171 | 0 | 0 | 113.5 | A126 F127 | A126-E129 PolarHBondContact O-N 3.45Å; F127-E129 PolarHBondContact O-N 3.32Å |
| 130 | R | 97.6 | Very high | 94 | Very high | 173 Ų | 173 | 55.3 Ų | 55.3 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -90.5 | -37.4 | 172.4 | -55.3 | -52.2 | -179.6 | -166 | -4.3 | 111.7 | F127 I128 | F127-R130 HydrophobicContact CD2-CB 4.35Å; F127-R130 WeakPolarHBondContact O-CA 3.21Å; F127-R130 WeakPolarHBondContact O-CB 3.49Å; F127-R130 PolarHBondContact O-N 3.1Å; I128-R130 VanDerWaalsContact C-N 3.29Å; I128-R130 PolarHBondContact O-N 2.98Å |
| 131 | H | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.7 | -37.3 | -177.8 | -172.3 | 81.2 | 0 | 0 | 0 | 112.8 | F127 L629 Y882 M886 E974 S975 | F127-H131 HydrophobicContact CD1-CB 4.36Å; F127-H131 HydrophobicContact CE1-CB 3.9Å; F127-H131 HydrophobicContact CZ-CB 4.05Å; F127-H131 PolarHBondContact O-N 3.3Å; H131-L629 HydrophobicContact CB-CD2 4.5Å; H131-Y882 AromaticContact CE1-CE2 3.58Å; H131-Y882 AromaticContact ND1-CE2 3.95Å; H131-Y882 AromaticContact NE2-CE2 3.62Å; H131-M886 HydrophobicContact CB-CE 4.27Å; H131-M886 HydrophobicContact CB-SD 3.92Å; H131-E974 IonicContact CD2-OE1 3.55Å; H131-E974 IonicContact CE1-OE1 3.56Å; H131-E974 IonicContact NE2-OE1 2.76Å; H131-E974 PolarHBondContact NE2-OE1 3.34Å; H131-S975 VanDerWaalsContact O-CA 3.23Å; H131-S975 WeakPolarHBondContact O-CA 3.34Å; H131-S975 WeakPolarHBondContact O-CB 3.28Å; H131-S975 PolarHBondContact O-OG 3.46Å |
| 132 | I | 98.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -91.4 | 119.2 | 178.7 | -61.3 | 179.6 | 0 | 0 | 0 | 109.1 | I128 K893 V897 E974 | I128-I132 HydrophobicContact CG2-CD1 3.84Å; I128-I132 WeakPolarHBondContact O-CB 3.46Å; I128-I132 WeakPolarHBondContact O-CG1 3.44Å; I128-I132 PolarHBondContact O-N 2.91Å; I132-K893 HydrophobicContact CD1-CB 4.04Å; I132-K893 HydrophobicContact CD1-CD 3.88Å; I132-K893 HydrophobicContact CD1-CG 3.69Å; I132-V897 HydrophobicContact CD1-CG2 4.5Å; I132-V897 HydrophobicContact CG2-CB 4.11Å; I132-V897 HydrophobicContact CG2-CG1 3.81Å; I132-V897 HydrophobicContact CG2-CG2 3.99Å; I132-E974 CarbonylContact C-O 3.5Å; I132-E974 WeakPolarHBondContact CA-O 3.46Å; I132-E974 HydrophobicContact CG1-CG 4.45Å |
| 133 | G | 98.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | trans | -67.2 | -52.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | D135 E974 S975 | G133-D135 PolarHBondContact O-N 3.33Å; G133-E974 PolarHBondContact N-O 3.15Å; G133-S975 VanDerWaalsContact CA-O 3.27Å; G133-S975 WeakPolarHBondContact CA-O 3.3Å | ||
| 134 | P | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -74 | 126.5 | -179.4 | -18.3 | 33.2 | 0 | 0 | 0 | 111.4 | Q138 Q139 M142 V897 E976 | P134-Q138 HydrophobicContact CB-CB 4.07Å; P134-Q139 HydrophobicContact CB-CG 4.03Å; P134-Q139 PolarHBondContact O-NE2 3.47Å; P134-M142 HydrophobicContact CB-SD 4.24Å; P134-M142 HydrophobicContact CG-SD 4.31Å; P134-V897 HydrophobicContact CG-CG1 4.14Å; P134-E976 VanDerWaalsContact CD-O 3.23Å; P134-E976 WeakPolarHBondContact CD-O 3.22Å; P134-E976 WeakPolarHBondContact CG-O 3.47Å |
| 135 | D | 96.1 | Very high | 97 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -71.4 | 176.8 | 172.4 | 69.7 | 36.3 | 0 | 0 | 0 | 112.2 | G133 A137 Q138 Q139 | G133-D135 PolarHBondContact O-N 3.33Å; D135-A137 VanDerWaalsContact C-N 3.3Å; D135-A137 PolarHBondContact O-N 3.44Å; D135-A137 WeakPolarHBondContact OD1-CA 3.45Å; D135-A137 WeakPolarHBondContact OD1-CB 3.17Å; D135-A137 PolarHBondContact OD1-N 3.33Å; D135-Q138 PolarHBondContact O-N 3.4Å; D135-Q138 WeakPolarHBondContact OD1-CG 3.44Å; D135-Q138 PolarHBondContact OD1-N 3.49Å; D135-Q139 WeakPolarHBondContact O-CB 3.49Å; D135-Q139 WeakPolarHBondContact O-CG 3.22Å; D135-Q139 PolarHBondContact O-N 2.82Å | ||
| 136 | A | 94.1 | Very high | 97.4 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.8 | -35.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q140 | A136-Q140 PolarHBondContact O-N 2.91Å; A136-Q140 VanDerWaalsContact O-N 3.1Å |
| 137 | A | 96.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.9 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D135 Q139 Q140 E141 | D135-A137 VanDerWaalsContact C-N 3.3Å; D135-A137 PolarHBondContact O-N 3.44Å; D135-A137 WeakPolarHBondContact OD1-CA 3.45Å; D135-A137 WeakPolarHBondContact OD1-CB 3.17Å; D135-A137 PolarHBondContact OD1-N 3.33Å; A137-Q139 VanDerWaalsContact C-N 3.33Å; A137-Q139 PolarHBondContact O-N 2.98Å; A137-Q140 PolarHBondContact O-N 3.17Å; A137-Q140 VanDerWaalsContact O-N 3.15Å; A137-E141 PolarHBondContact O-N 3.38Å |
| 138 | Q | 98.1 | Very high | 97.4 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.6 | -69 | -179.7 | -2.6 | 0 | 0 | 111.7 | P134 D135 Q140 E141 M142 K978 | P134-Q138 HydrophobicContact CB-CB 4.07Å; D135-Q138 PolarHBondContact O-N 3.4Å; D135-Q138 WeakPolarHBondContact OD1-CG 3.44Å; D135-Q138 PolarHBondContact OD1-N 3.49Å; Q138-Q140 VanDerWaalsContact C-N 3.32Å; Q138-Q140 PolarHBondContact O-N 3.46Å; Q138-E141 PolarHBondContact O-N 2.86Å; Q138-M142 VanDerWaalsContact O-CG 3.23Å; Q138-M142 WeakPolarHBondContact O-CG 3.2Å; Q138-M142 PolarHBondContact O-N 3.48Å; Q138-K978 HydrophobicContact CB-CB 3.88Å; Q138-K978 HydrophobicContact CB-CD 4.04Å; Q138-K978 HydrophobicContact CG-CB 4.01Å; Q138-K978 HydrophobicContact CG-CD 4.23Å |
| 139 | Q | 98.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 173.8 | -73.5 | 171.2 | 36.5 | 0 | 0 | 111.2 | P134 D135 A137 M142 L143 V897 L900 | P134-Q139 HydrophobicContact CB-CG 4.03Å; P134-Q139 PolarHBondContact O-NE2 3.47Å; D135-Q139 WeakPolarHBondContact O-CB 3.49Å; D135-Q139 WeakPolarHBondContact O-CG 3.22Å; D135-Q139 PolarHBondContact O-N 2.82Å; A137-Q139 VanDerWaalsContact C-N 3.33Å; A137-Q139 PolarHBondContact O-N 2.98Å; Q139-M142 PolarHBondContact O-N 3.41Å; Q139-L143 VanDerWaalsContact O-CB 3.29Å; Q139-L143 WeakPolarHBondContact O-CB 3.15Å; Q139-L143 WeakPolarHBondContact O-CG 3.22Å; Q139-L143 PolarHBondContact O-N 2.72Å; Q139-V897 HydrophobicContact CG-CG2 4.48Å; Q139-L900 HydrophobicContact CB-CD2 4.19Å; Q139-L900 HydrophobicContact CG-CD2 4.24Å |
| 140 | Q | 97.9 | Very high | 97.3 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 178.3 | -169.8 | 61.1 | 53.9 | 0 | 0 | 112.4 | A136 A137 Q138 M142 L143 N144 | A136-Q140 PolarHBondContact O-N 2.91Å; A136-Q140 VanDerWaalsContact O-N 3.1Å; A137-Q140 PolarHBondContact O-N 3.17Å; A137-Q140 VanDerWaalsContact O-N 3.15Å; Q138-Q140 VanDerWaalsContact C-N 3.32Å; Q138-Q140 PolarHBondContact O-N 3.46Å; Q140-M142 VanDerWaalsContact C-N 3.34Å; Q140-M142 PolarHBondContact O-N 3.11Å; Q140-L143 PolarHBondContact O-N 2.73Å; Q140-N144 PolarHBondContact NE2-OD1 3.17Å; Q140-N144 WeakPolarHBondContact O-CB 3.14Å; Q140-N144 PolarHBondContact O-N 2.92Å; Q140-N144 PolarHBondContact O-ND2 2.93Å; Q140-N144 PolarHBondContact O-OD1 3.33Å |
| 141 | E | 98.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 173.7 | -71.2 | 176.9 | -170.7 | 0 | 0 | 111.7 | A137 Q138 N144 A145 K978 | A137-E141 PolarHBondContact O-N 3.38Å; Q138-E141 PolarHBondContact O-N 2.86Å; E141-N144 PolarHBondContact O-N 3.46Å; E141-A145 WeakPolarHBondContact O-CB 3.37Å; E141-A145 PolarHBondContact O-N 3.18Å; E141-K978 HydrophobicContact CB-CD 4.4Å; E141-K978 WeakPolarHBondContact OE2-CE 3.28Å; E141-K978 IonicContact OE2-NZ 3.44Å; E141-K978 PolarHBondContact OE2-NZ 3.45Å |
| 142 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 178.4 | -66.9 | 169.2 | 71 | 0 | 0 | 111.5 | P134 Q138 Q139 Q140 N144 A145 V146 L900 N901 Y904 K978 L981 | P134-M142 HydrophobicContact CB-SD 4.24Å; P134-M142 HydrophobicContact CG-SD 4.31Å; Q138-M142 VanDerWaalsContact O-CG 3.23Å; Q138-M142 WeakPolarHBondContact O-CG 3.2Å; Q138-M142 PolarHBondContact O-N 3.48Å; Q139-M142 PolarHBondContact O-N 3.41Å; Q140-M142 VanDerWaalsContact C-N 3.34Å; Q140-M142 PolarHBondContact O-N 3.11Å; M142-N144 VanDerWaalsContact C-N 3.34Å; M142-N144 PolarHBondContact O-N 3.34Å; M142-A145 WeakPolarHBondContact O-CB 3.47Å; M142-A145 PolarHBondContact O-N 3.16Å; M142-V146 WeakPolarHBondContact O-CG1 3.29Å; M142-V146 WeakPolarHBondContact O-CG2 3.43Å; M142-V146 PolarHBondContact O-N 2.93Å; M142-L900 HydrophobicContact CB-CD1 3.97Å; M142-L900 HydrophobicContact CB-CD2 4.12Å; M142-L900 HydrophobicContact CB-CG 4.12Å; M142-L900 HydrophobicContact CE-CG 4.2Å; M142-N901 HydrophobicContact CE-CB 4.42Å; M142-N901 WeakPolarHBondContact CE-OD1 3.41Å; M142-Y904 HydrophobicContact CB-CD2 3.92Å; M142-Y904 HydrophobicContact CB-CE2 4.36Å; M142-Y904 HydrophobicContact CB-CG 4.3Å; M142-Y904 HydrophobicContact CE-CD1 3.71Å; M142-Y904 HydrophobicContact CE-CD2 4.34Å; M142-Y904 HydrophobicContact CE-CE1 4.48Å; M142-Y904 HydrophobicContact CE-CG 3.61Å; M142-Y904 HydrophobicContact CG-CD1 4.34Å; M142-Y904 HydrophobicContact CG-CD2 3.79Å; M142-Y904 HydrophobicContact CG-CE1 4.44Å; M142-Y904 HydrophobicContact CG-CE2 3.91Å; M142-Y904 HydrophobicContact CG-CG 3.99Å; M142-K978 HydrophobicContact CG-CD 3.86Å; M142-K978 HydrophobicContact CG-CG 4.11Å; M142-K978 HydrophobicContact SD-CB 3.93Å; M142-K978 HydrophobicContact SD-CD 4.24Å; M142-K978 HydrophobicContact SD-CG 4.01Å; M142-L981 HydrophobicContact CE-CD1 3.41Å; M142-L981 VanDerWaalsContact CE-CD1 3.41Å; M142-L981 HydrophobicContact SD-CD1 4.33Å |
| 143 | L | 98.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 174.2 | -80 | 167.2 | 0 | 0 | 0 | 111.3 | Q139 Q140 A145 V146 G147 A148 L151 L154 L900 | Q139-L143 VanDerWaalsContact O-CB 3.29Å; Q139-L143 WeakPolarHBondContact O-CB 3.15Å; Q139-L143 WeakPolarHBondContact O-CG 3.22Å; Q139-L143 PolarHBondContact O-N 2.72Å; Q140-L143 PolarHBondContact O-N 2.73Å; L143-A145 PolarHBondContact O-N 3.37Å; L143-V146 CarbonylContact O-C 3Å; L143-V146 WeakPolarHBondContact O-CG2 3.43Å; L143-V146 PolarHBondContact O-N 3.33Å; L143-G147 PolarHBondContact O-N 3.32Å; L143-A148 CarbonylContact C-O 3.53Å; L143-A148 WeakPolarHBondContact CB-O 3.43Å; L143-A148 HydrophobicContact CD2-CB 3.83Å; L143-A148 PolarHBondContact O-N 2.93Å; L143-L151 HydrophobicContact CD2-CD2 4.42Å; L143-L154 HydrophobicContact CD2-CB 4.29Å; L143-L154 HydrophobicContact CD2-CD2 4.37Å; L143-L900 HydrophobicContact CD2-CD1 3.93Å; L143-L900 HydrophobicContact CG-CD1 4.02Å; L143-L900 HydrophobicContact CG-CD2 4.11Å |
| 144 | N | 97.9 | Very high | 96.8 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 57% | 0.567 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 175.2 | -67.4 | -16.6 | 0 | 0 | 0 | 111.5 | Q140 E141 M142 V146 G147 | Q140-N144 PolarHBondContact NE2-OD1 3.17Å; Q140-N144 WeakPolarHBondContact O-CB 3.14Å; Q140-N144 PolarHBondContact O-N 2.92Å; Q140-N144 PolarHBondContact O-ND2 2.93Å; Q140-N144 PolarHBondContact O-OD1 3.33Å; E141-N144 PolarHBondContact O-N 3.46Å; M142-N144 VanDerWaalsContact C-N 3.34Å; M142-N144 PolarHBondContact O-N 3.34Å; N144-V146 VanDerWaalsContact C-N 3.34Å; N144-V146 PolarHBondContact O-N 2.93Å; N144-G147 PolarHBondContact O-N 3.04Å; N144-G147 VanDerWaalsContact O-N 3.11Å |
| 145 | A | 97.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E141 M142 L143 G147 Y904 | E141-A145 WeakPolarHBondContact O-CB 3.37Å; E141-A145 PolarHBondContact O-N 3.18Å; M142-A145 WeakPolarHBondContact O-CB 3.47Å; M142-A145 PolarHBondContact O-N 3.16Å; L143-A145 PolarHBondContact O-N 3.37Å; A145-G147 VanDerWaalsContact C-N 3.32Å; A145-Y904 HydrophobicContact CB-CD2 4.09Å; A145-Y904 HydrophobicContact CB-CE2 3.9Å |
| 146 | V | 97.2 | Very high | 96.4 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -84.5 | -5.2 | 175.3 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | M142 L143 N144 A148 L154 L900 N903 R923 | M142-V146 WeakPolarHBondContact O-CG1 3.29Å; M142-V146 WeakPolarHBondContact O-CG2 3.43Å; M142-V146 PolarHBondContact O-N 2.93Å; L143-V146 CarbonylContact O-C 3Å; L143-V146 WeakPolarHBondContact O-CG2 3.43Å; L143-V146 PolarHBondContact O-N 3.33Å; N144-V146 VanDerWaalsContact C-N 3.34Å; N144-V146 PolarHBondContact O-N 2.93Å; V146-A148 HydrophobicContact CG2-CB 4.16Å; V146-L154 HydrophobicContact CG2-CD1 4.32Å; V146-L900 HydrophobicContact CG2-CD1 4.02Å; V146-N903 HydrophobicContact CG1-CB 4.26Å; V146-R923 PolarHBondContact O-NH1 3.07Å; V146-R923 PolarHBondContact O-NH2 3.36Å |
| 147 | G | 96.2 | Very high | 96.4 | Very high | 58 Ų | 58 | 48 Ų | 48 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 36.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L143 N144 A145 | L143-G147 PolarHBondContact O-N 3.32Å; N144-G147 PolarHBondContact O-N 3.04Å; N144-G147 VanDerWaalsContact O-N 3.11Å; A145-G147 VanDerWaalsContact C-N 3.32Å |
| 148 | A | 95.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | trans | -118.4 | 146.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L143 V146 L154 | L143-A148 CarbonylContact C-O 3.53Å; L143-A148 WeakPolarHBondContact CB-O 3.43Å; L143-A148 HydrophobicContact CD2-CB 3.83Å; L143-A148 PolarHBondContact O-N 2.93Å; V146-A148 HydrophobicContact CG2-CB 4.16Å; A148-L154 HydrophobicContact CB-CB 3.89Å; A148-L154 HydrophobicContact CB-CD1 4.02Å | ||
| 149 | Q | 95.2 | Very high | 96.1 | Very high | 169 Ų | 169 | 44 Ų | 44 | 79% | 0.79 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -84.5 | -26.4 | -177.3 | -69.2 | -179.8 | -23 | 0 | 0 | 113.6 | ||
| 150 | S | 96.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -159.6 | 165.1 | -178.9 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | N152 A153 L154 | S150-N152 VanDerWaalsContact C-N 3.27Å; S150-N152 PolarHBondContact O-N 3.24Å; S150-A153 PolarHBondContact O-N 3.35Å; S150-A153 WeakPolarHBondContact OG-CB 3.32Å; S150-A153 PolarHBondContact OG-N 2.85Å; S150-A153 VanDerWaalsContact OG-N 3.08Å; S150-L154 PolarHBondContact O-N 3.47Å |
| 151 | L | 96.7 | Very high | 95.6 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 172.7 | -70 | 178.2 | 0 | 0 | 0 | 112 | L143 L154 T155 K893 Q896 V897 L900 | L143-L151 HydrophobicContact CD2-CD2 4.42Å; L151-L154 PolarHBondContact O-N 2.65Å; L151-T155 PolarHBondContact O-N 2.78Å; L151-T155 PolarHBondContact O-OG1 3.28Å; L151-T155 VanDerWaalsContact O-OG1 3.04Å; L151-K893 HydrophobicContact CD1-CG 4.25Å; L151-Q896 HydrophobicContact CB-CB 4.15Å; L151-Q896 HydrophobicContact CD1-CB 4.18Å; L151-Q896 HydrophobicContact CD2-CB 4.27Å; L151-Q896 HydrophobicContact CG-CB 4.44Å; L151-V897 HydrophobicContact CD1-CG2 3.98Å; L151-V897 HydrophobicContact CD2-CG2 4.31Å; L151-L900 HydrophobicContact CD2-CB 4.09Å; L151-L900 HydrophobicContact CD2-CD2 3.74Å; L151-L900 HydrophobicContact CD2-CG 4.47Å |
| 152 | N | 94.3 | Very high | 95.3 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.8 | -73.9 | -27.4 | 0 | 0 | 0 | 111.8 | S150 T155 G156 Q896 | S150-N152 VanDerWaalsContact C-N 3.27Å; S150-N152 PolarHBondContact O-N 3.24Å; N152-T155 WeakPolarHBondContact CA-OG1 3.48Å; N152-T155 PolarHBondContact O-N 3.48Å; N152-T155 PolarHBondContact O-OG1 3.18Å; N152-T155 VanDerWaalsContact O-OG1 3.07Å; N152-G156 PolarHBondContact O-N 3.21Å; N152-Q896 PolarHBondContact OD1-NE2 3.1Å |
| 153 | A | 94.7 | Very high | 95.1 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S150 G156 Q157 | S150-A153 PolarHBondContact O-N 3.35Å; S150-A153 WeakPolarHBondContact OG-CB 3.32Å; S150-A153 PolarHBondContact OG-N 2.85Å; S150-A153 VanDerWaalsContact OG-N 3.08Å; A153-G156 PolarHBondContact O-N 3.35Å; A153-Q157 WeakPolarHBondContact O-CG 3.23Å; A153-Q157 PolarHBondContact O-N 3.05Å; A153-Q157 VanDerWaalsContact O-N 3.07Å |
| 154 | L | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -52 | 176 | -177.5 | 65 | 0 | 0 | 0 | 111 | L143 V146 A148 S150 L151 G156 Q157 I158 I899 L900 | L143-L154 HydrophobicContact CD2-CB 4.29Å; L143-L154 HydrophobicContact CD2-CD2 4.37Å; V146-L154 HydrophobicContact CG2-CD1 4.32Å; A148-L154 HydrophobicContact CB-CB 3.89Å; A148-L154 HydrophobicContact CB-CD1 4.02Å; S150-L154 PolarHBondContact O-N 3.47Å; L151-L154 PolarHBondContact O-N 2.65Å; L154-G156 VanDerWaalsContact C-N 3.31Å; L154-G156 PolarHBondContact O-N 2.84Å; L154-Q157 WeakPolarHBondContact O-CB 3.49Å; L154-Q157 PolarHBondContact O-N 3.25Å; L154-Q157 VanDerWaalsContact O-N 3.16Å; L154-I158 HydrophobicContact CD1-CD1 3.58Å; L154-I158 HydrophobicContact CD1-CG1 4.37Å; L154-I158 HydrophobicContact CG-CD1 3.79Å; L154-I158 VanDerWaalsContact O-CG1 3.3Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.23Å; L154-I899 HydrophobicContact CD2-CG2 4.39Å; L154-L900 HydrophobicContact CD2-CB 3.98Å; L154-L900 HydrophobicContact CD2-CD1 3.9Å |
| 155 | T | 94.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 178.5 | 47.4 | 0 | 0 | 0 | 0 | 113.1 | L151 N152 Q157 I158 V159 I804 Q896 I899 | L151-T155 PolarHBondContact O-N 2.78Å; L151-T155 PolarHBondContact O-OG1 3.28Å; L151-T155 VanDerWaalsContact O-OG1 3.04Å; N152-T155 WeakPolarHBondContact CA-OG1 3.48Å; N152-T155 PolarHBondContact O-N 3.48Å; N152-T155 PolarHBondContact O-OG1 3.18Å; N152-T155 VanDerWaalsContact O-OG1 3.07Å; T155-Q157 PolarHBondContact O-N 3.42Å; T155-I158 PolarHBondContact O-N 3.02Å; T155-V159 PolarHBondContact O-N 3.1Å; T155-I804 HydrophobicContact CG2-CD1 4.03Å; T155-Q896 HydrophobicContact CG2-CB 4.34Å; T155-Q896 HydrophobicContact CG2-CG 3.69Å; T155-Q896 PolarHBondContact OG1-NE2 3.37Å; T155-I899 HydrophobicContact CG2-CD1 4.16Å |
| 156 | G | 92.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -24.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N152 A153 L154 | N152-G156 PolarHBondContact O-N 3.21Å; A153-G156 PolarHBondContact O-N 3.35Å; L154-G156 VanDerWaalsContact C-N 3.31Å; L154-G156 PolarHBondContact O-N 2.84Å |
| 157 | Q | 92.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -81.5 | -32 | 174.1 | -71 | 167.5 | 11.7 | 0 | 0 | 112.6 | A153 L154 T155 R920 | A153-Q157 WeakPolarHBondContact O-CG 3.23Å; A153-Q157 PolarHBondContact O-N 3.05Å; A153-Q157 VanDerWaalsContact O-N 3.07Å; L154-Q157 WeakPolarHBondContact O-CB 3.49Å; L154-Q157 PolarHBondContact O-N 3.25Å; L154-Q157 VanDerWaalsContact O-N 3.16Å; T155-Q157 PolarHBondContact O-N 3.42Å; Q157-R920 WeakPolarHBondContact O-CD 3.26Å |
| 158 | I | 94.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -95 | -45 | -170.1 | -62.8 | 176.6 | 0 | 0 | 0 | 112.6 | L154 T155 Y773 I899 R923 | L154-I158 HydrophobicContact CD1-CD1 3.58Å; L154-I158 HydrophobicContact CD1-CG1 4.37Å; L154-I158 HydrophobicContact CG-CD1 3.79Å; L154-I158 VanDerWaalsContact O-CG1 3.3Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.23Å; T155-I158 PolarHBondContact O-N 3.02Å; I158-Y773 HydrophobicContact CG2-CD2 3.45Å; I158-Y773 VanDerWaalsContact CG2-CD2 3.45Å; I158-Y773 HydrophobicContact CG2-CE2 3.62Å; I158-I899 HydrophobicContact CD1-CG2 3.66Å; I158-R923 HydrophobicContact CD1-CB 3.8Å; I158-R923 HydrophobicContact CD1-CG 4.07Å; I158-R923 HydrophobicContact CG1-CB 3.56Å; I158-R923 HydrophobicContact CG1-CG 3.71Å; I158-R923 HydrophobicContact CG2-CB 4.44Å |
| 159 | V | 94.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -86.6 | 130 | -172.7 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | T155 K161 I163 Q164 Y773 I804 | T155-V159 PolarHBondContact O-N 3.1Å; V159-K161 PolarHBondContact O-N 3.35Å; V159-I163 HydrophobicContact CG1-CD1 4.02Å; V159-I163 HydrophobicContact CG1-CG1 3.89Å; V159-Q164 HydrophobicContact CB-CG 4.14Å; V159-Q164 HydrophobicContact CG1-CG 3.86Å; V159-Q164 PolarHBondContact O-NE2 3.45Å; V159-Y773 HydrophobicContact CG1-CD1 4.46Å; V159-Y773 HydrophobicContact CG1-CE1 4.38Å; V159-Y773 HydrophobicContact CG2-CD1 4.42Å; V159-Y773 HydrophobicContact CG2-CD2 4.4Å; V159-Y773 HydrophobicContact CG2-CE1 3.97Å; V159-Y773 HydrophobicContact CG2-CE2 3.91Å; V159-I804 HydrophobicContact CB-CG2 4.39Å; V159-I804 HydrophobicContact CG1-CG2 4.24Å; V159-I804 HydrophobicContact CG2-CG2 3.91Å |
| 160 | P | 93.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 7% | 0.065 | 29% | 0.287 | C | S | . | . | trans | -53.6 | 132.5 | 177.5 | -25 | 31.8 | 0 | 0 | 0 | 112.4 | D162 I163 Q164 E775 | P160-D162 WeakPolarHBondContact CB-OD1 3.43Å; P160-D162 PolarHBondContact O-N 2.82Å; P160-I163 HydrophobicContact CB-CD1 4.4Å; P160-I163 HydrophobicContact CB-CG1 4.08Å; P160-I163 HydrophobicContact CG-CD1 4.26Å; P160-I163 HydrophobicContact CG-CG1 4.45Å; P160-I163 WeakPolarHBondContact O-CG1 3.14Å; P160-I163 PolarHBondContact O-N 2.85Å; P160-Q164 PolarHBondContact O-N 2.94Å; P160-E775 HydrophobicContact CG-CG 4.4Å | ||
| 161 | K | 91.7 | Very high | 92.3 | Very high | 167 Ų | 167 | 48.5 Ų | 48.5 | 73% | 0.726 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60.6 | -32.8 | -170 | -72.3 | -171.5 | 175.8 | -173.6 | 0 | 113.5 | V159 I163 Q164 | V159-K161 PolarHBondContact O-N 3.35Å; K161-I163 VanDerWaalsContact C-N 3.27Å; K161-I163 PolarHBondContact O-N 3.47Å; K161-Q164 PolarHBondContact O-N 3.44Å |
| 162 | D | 91.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -77 | -9.7 | -176.3 | 66.8 | -50.8 | 0 | 0 | 0 | 113.7 | P160 R778 | P160-D162 WeakPolarHBondContact CB-OD1 3.43Å; P160-D162 PolarHBondContact O-N 2.82Å; D162-R778 PolarHBondContact O-NE 2.73Å; D162-R778 PolarHBondContact O-NH2 3.28Å; D162-R778 WeakPolarHBondContact OD2-CD 3.25Å; D162-R778 IonicContact OD2-NE 3.71Å; D162-R778 PolarHBondContact OD2-NE 3.35Å |
| 163 | I | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -111.8 | -2.3 | 174.6 | 70.2 | 166.6 | 0 | 0 | 0 | 113.3 | V159 P160 K161 Y766 I777 R778 T805 I810 | V159-I163 HydrophobicContact CG1-CD1 4.02Å; V159-I163 HydrophobicContact CG1-CG1 3.89Å; P160-I163 HydrophobicContact CB-CD1 4.4Å; P160-I163 HydrophobicContact CB-CG1 4.08Å; P160-I163 HydrophobicContact CG-CD1 4.26Å; P160-I163 HydrophobicContact CG-CG1 4.45Å; P160-I163 WeakPolarHBondContact O-CG1 3.14Å; P160-I163 PolarHBondContact O-N 2.85Å; K161-I163 VanDerWaalsContact C-N 3.27Å; K161-I163 PolarHBondContact O-N 3.47Å; I163-Y766 HydrophobicContact CD1-CE1 3.46Å; I163-Y766 VanDerWaalsContact CD1-CE1 3.46Å; I163-Y766 WeakPolarHBondContact CD1-OH 3.35Å; I163-I777 HydrophobicContact CG2-CG2 4.42Å; I163-R778 HydrophobicContact CG2-CG 4.04Å; I163-T805 HydrophobicContact CD1-CG2 4.49Å; I163-T805 WeakPolarHBondContact O-CB 3.47Å; I163-T805 PolarHBondContact O-OG1 3.04Å; I163-I810 HydrophobicContact CB-CG1 4.03Å; I163-I810 HydrophobicContact CD1-CD1 4.27Å; I163-I810 HydrophobicContact CD1-CG1 4.39Å; I163-I810 HydrophobicContact CG2-CG1 3.98Å |
| 164 | Q | 94 | Very high | 92.1 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | trans | -71.3 | 133.2 | 176.3 | -69.4 | -179.8 | 29.3 | 0 | 0 | 110.5 | V159 P160 K161 I804 | V159-Q164 HydrophobicContact CB-CG 4.14Å; V159-Q164 HydrophobicContact CG1-CG 3.86Å; V159-Q164 PolarHBondContact O-NE2 3.45Å; P160-Q164 PolarHBondContact O-N 2.94Å; K161-Q164 PolarHBondContact O-N 3.44Å; Q164-I804 WeakPolarHBondContact CA-O 3.38Å | ||
| 165 | L | 92.2 | Very high | 92.1 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 23% | 0.225 | 29% | 0.293 | C | S | . | . | trans | -72.1 | 134.3 | 172.5 | -62.5 | 175.1 | 0 | 0 | 0 | 109.8 | T167 P169 I804 F809 | L165-T167 VanDerWaalsContact C-N 3.31Å; L165-T167 PolarHBondContact O-N 3.28Å; L165-P169 HydrophobicContact CD1-CG 3.92Å; L165-I804 PolarHBondContact N-O 2.92Å; L165-F809 HydrophobicContact CD2-CB 4.32Å; L165-F809 HydrophobicContact CD2-CD1 3.99Å; L165-F809 HydrophobicContact CD2-CG 4.14Å | ||
| 166 | A | 86.6 | Confident | 92.2 | Very high | 107 Ų | 107 | 50 Ų | 50 | 88% | 0.884 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -66.4 | -34.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 167 | T | 83.7 | Confident | 92.5 | Very high | 99 Ų | 99 | 51.9 Ų | 51.9 | 61% | 0.607 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -138.8 | 146 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | L165 | L165-T167 VanDerWaalsContact C-N 3.31Å; L165-T167 PolarHBondContact O-N 3.28Å |
| 168 | P | 84.8 | Confident | 92.7 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | trans | -56.6 | 144 | 173.9 | -24.8 | 35.2 | 0 | 0 | 0 | 112.4 | Q170 A888 K892 | P168-Q170 PolarHBondContact O-NE2 2.75Å; P168-A888 HydrophobicContact CB-CB 4.11Å; P168-K892 HydrophobicContact CG-CD 4.02Å | ||
| 169 | P | 90.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 10% | 0.104 | 34% | 0.34 | C | S | . | . | trans | -59.1 | 139.6 | 175.2 | -24.6 | 34.6 | 0 | 0 | 0 | 112.8 | L165 V171 K671 L672 A888 | L165-P169 HydrophobicContact CD1-CG 3.92Å; P169-V171 VanDerWaalsContact C-N 3.35Å; P169-V171 PolarHBondContact O-N 2.97Å; P169-K671 HydrophobicContact CB-CB 4.22Å; P169-K671 WeakPolarHBondContact CB-O 3.37Å; P169-L672 HydrophobicContact CB-CD2 4.09Å; P169-L672 HydrophobicContact CG-CD2 4.25Å; P169-A888 VanDerWaalsContact O-CB 3.28Å; P169-A888 WeakPolarHBondContact O-CB 3.24Å | ||
| 170 | Q | 90.6 | Very high | 93 | Very high | 137 Ų | 137 | 59.4 Ų | 59.4 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | trans | -80.5 | 73.4 | -171.7 | -63.1 | -63.3 | -48.5 | 0 | 0 | 112.9 | P168 K671 | P168-Q170 PolarHBondContact O-NE2 2.75Å; Q170-K671 WeakPolarHBondContact O-CD 3.26Å; Q170-K671 PolarHBondContact O-NZ 3.34Å | ||
| 171 | V | 94.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | trans | -92.8 | -2.6 | 173.4 | -60 | 0 | 0 | 0 | 0 | 113.7 | P169 W668 K671 L672 I883 A888 L891 | P169-V171 VanDerWaalsContact C-N 3.35Å; P169-V171 PolarHBondContact O-N 2.97Å; V171-W668 HydrophobicContact CB-CG 4.22Å; V171-W668 HydrophobicContact CG1-CB 3.98Å; V171-W668 HydrophobicContact CG1-CG 4.09Å; V171-W668 PolarHBondContact O-NE1 2.92Å; V171-K671 HydrophobicContact CG1-CB 4.48Å; V171-L672 HydrophobicContact CG1-CD1 4.32Å; V171-L672 HydrophobicContact CG1-CD2 3.82Å; V171-L672 HydrophobicContact CG1-CG 3.88Å; V171-I883 HydrophobicContact CB-CG2 4.21Å; V171-I883 HydrophobicContact CG2-CG2 4.42Å; V171-A888 HydrophobicContact CG2-CB 4Å; V171-L891 HydrophobicContact CG2-CD1 3.93Å | ||
| 172 | G | 93.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | trans | 102.2 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | G887 A888 | G172-G887 WeakPolarHBondContact O-CA 3.38Å; G172-A888 PolarHBondContact O-N 2.87Å | ||
| 173 | A | 92.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | trans | -78.2 | 152.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R884 | A173-R884 PolarHBondContact O-NH1 2.88Š| ||
| 174 | P | 95.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -59.6 | 159.8 | 176.6 | 26.9 | -36.1 | 0 | 0 | 0 | 112.2 | S124 I128 M885 | S124-P174 CarbonylContact O-C 3.55Å; I128-P174 HydrophobicContact CD1-CB 4.22Å; I128-P174 HydrophobicContact CD1-CG 4.29Å; P174-M885 WeakPolarHBondContact CA-O 3.17Å; P174-M885 WeakPolarHBondContact CB-O 3.36Å | ||
| 175 | A | 96.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -132.2 | 154.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S124 A179 R884 M885 | S124-A175 CarbonylContact O-C 3.59Å; S124-A175 WeakPolarHBondContact O-CA 3.36Å; S124-A175 PolarHBondContact O-N 3.49Å; A175-A179 HydrophobicContact CB-CB 4.37Å; A175-R884 VanDerWaalsContact CB-CZ 3.47Å; A175-R884 PolarHBondContact N-O 3.42Å; A175-M885 PolarHBondContact N-O 2.96Å; A175-M885 WeakPolarHBondContact O-CA 3.33Å | ||
| 176 | T | 96.7 | Very high | 94.7 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.258 | 34% | 0.34 | S | S | . | . | trans | -65.3 | 153.7 | 171 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | S124 Y178 A179 A180 | S124-T176 PolarHBondContact O-N 3.44Å; T176-Y178 VanDerWaalsContact C-N 3.25Å; T176-Y178 PolarHBondContact O-N 2.97Å; T176-A179 PolarHBondContact O-N 3.28Å; T176-A179 VanDerWaalsContact O-N 3.09Å; T176-A179 WeakPolarHBondContact OG1-CB 3.46Å; T176-A179 PolarHBondContact OG1-N 3.4Å; T176-A180 PolarHBondContact O-N 2.92Å | ||
| 177 | E | 98.2 | Very high | 95.2 | Very high | 66 Ų | 66 | 51 Ų | 51 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51 | -45.5 | 176.7 | -66 | 168.7 | -147.5 | 0 | 0 | 112.2 | F127 A180 L181 A633 M885 | F127-E177 HydrophobicContact CB-CG 4.38Å; F127-E177 HydrophobicContact CD2-CG 3.71Å; F127-E177 HydrophobicContact CE2-CG 4.49Å; F127-E177 HydrophobicContact CG-CG 4.38Å; E177-A180 PolarHBondContact O-N 3.39Å; E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 3.41Å; E177-A633 HydrophobicContact CB-CB 3.92Å; E177-A633 HydrophobicContact CG-CB 3.97Å; E177-M885 HydrophobicContact CB-SD 4.09Å; E177-M885 HydrophobicContact CG-SD 3.73Å |
| 178 | Y | 97.4 | Very high | 95.9 | Very high | 193 Ų | 193 | 46.3 Ų | 46.3 | 76% | 0.757 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.7 | -38.6 | 179.4 | -73.2 | -84.4 | 0 | 0 | 0 | 113.3 | T176 A182 | T176-Y178 VanDerWaalsContact C-N 3.25Å; T176-Y178 PolarHBondContact O-N 2.97Å; Y178-A182 WeakPolarHBondContact O-CB 3.3Å; Y178-A182 PolarHBondContact O-N 3.19Å |
| 179 | A | 97.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 49 Ų | 49 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A175 T176 A182 E183 | A175-A179 HydrophobicContact CB-CB 4.37Å; T176-A179 PolarHBondContact O-N 3.28Å; T176-A179 VanDerWaalsContact O-N 3.09Å; T176-A179 WeakPolarHBondContact OG1-CB 3.46Å; T176-A179 PolarHBondContact OG1-N 3.4Å; A179-A182 PolarHBondContact O-N 2.86Å; A179-E183 WeakPolarHBondContact O-CB 3.5Å; A179-E183 PolarHBondContact O-N 3.41Å |
| 180 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T176 E177 E183 L184 M881 R884 M885 | T176-A180 PolarHBondContact O-N 2.92Å; E177-A180 PolarHBondContact O-N 3.39Å; A180-E183 PolarHBondContact O-N 3.18Å; A180-L184 WeakPolarHBondContact O-CB 3.37Å; A180-L184 PolarHBondContact O-N 3.11Å; A180-M881 HydrophobicContact CB-CE 3.63Å; A180-M881 HydrophobicContact CB-SD 3.87Å; A180-R884 HydrophobicContact CB-CG 4Å; A180-M885 HydrophobicContact CB-CG 3.54Å; A180-M885 HydrophobicContact CB-SD 4.3Å |
| 181 | L | 98.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173.8 | -78.2 | 173.7 | 0 | 0 | 0 | 112.2 | E177 K185 A633 I636 P637 W640 M881 | E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 3.41Å; L181-K185 VanDerWaalsContact O-CB 3.26Å; L181-K185 WeakPolarHBondContact O-CB 3.46Å; L181-K185 PolarHBondContact O-N 3.23Å; L181-A633 HydrophobicContact CD1-CB 4.35Å; L181-A633 WeakPolarHBondContact CD2-O 3.27Å; L181-I636 HydrophobicContact CD1-CD1 4.47Å; L181-I636 HydrophobicContact CD2-CB 4.44Å; L181-I636 HydrophobicContact CD2-CG2 4.32Å; L181-P637 HydrophobicContact CD2-CG 3.93Å; L181-W640 HydrophobicContact CD2-CH2 4.11Å; L181-W640 HydrophobicContact CD2-CZ2 3.97Å; L181-W640 WeakPolarHBondContact O-CH2 3.33Å; L181-M881 HydrophobicContact CB-CE 4.48Å; L181-M881 HydrophobicContact CD2-CE 3.75Å; L181-M881 HydrophobicContact CD2-SD 4.37Å; L181-M881 HydrophobicContact CG-CE 3.7Å |
| 182 | A | 98.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 51% | 0.512 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Y178 A179 K185 A186 | Y178-A182 WeakPolarHBondContact O-CB 3.3Å; Y178-A182 PolarHBondContact O-N 3.19Å; A179-A182 PolarHBondContact O-N 2.86Å; A182-K185 PolarHBondContact O-N 2.88Å; A182-A186 PolarHBondContact O-N 3.25Å |
| 183 | E | 98.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.7 | -51.2 | 175 | -176 | 179.1 | 165.7 | 0 | 0 | 110.9 | A179 A180 K185 A186 I187 W880 R884 | A179-E183 WeakPolarHBondContact O-CB 3.5Å; A179-E183 PolarHBondContact O-N 3.41Å; A180-E183 PolarHBondContact O-N 3.18Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 2.98Å; E183-A186 WeakPolarHBondContact O-CB 3.36Å; E183-A186 PolarHBondContact O-N 3Å; E183-A186 VanDerWaalsContact O-N 3.16Å; E183-I187 HydrophobicContact CG-CD1 4.49Å; E183-I187 WeakPolarHBondContact O-CG1 3.43Å; E183-I187 PolarHBondContact O-N 2.99Å; E183-W880 HydrophobicContact CB-CH2 4.23Å; E183-W880 HydrophobicContact CG-CH2 3.89Å; E183-W880 HydrophobicContact CG-CZ2 4.39Å; E183-R884 IonicContact OE1-NE 3.42Å; E183-R884 IonicContact OE2-CZ 3.98Å; E183-R884 IonicContact OE2-NE 3.3Å; E183-R884 PolarHBondContact OE2-NE 2.82Å; E183-R884 IonicContact OE2-NH2 2.81Å; E183-R884 PolarHBondContact OE2-NH2 3.17Å |
| 184 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 179 | -174.3 | 61.6 | 0 | 0 | 0 | 111.9 | A180 A186 I187 A188 P637 W640 F643 M661 P877 W880 M881 | A180-L184 WeakPolarHBondContact O-CB 3.37Å; A180-L184 PolarHBondContact O-N 3.11Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.08Å; L184-I187 PolarHBondContact O-N 3.27Å; L184-A188 WeakPolarHBondContact O-CB 3.32Å; L184-A188 PolarHBondContact O-N 3.42Å; L184-P637 HydrophobicContact CD2-CB 3.65Å; L184-P637 HydrophobicContact CD2-CG 3.49Å; L184-P637 VanDerWaalsContact CD2-CG 3.49Å; L184-W640 HydrophobicContact CB-CZ3 4.31Å; L184-W640 HydrophobicContact CD2-CZ3 4.3Å; L184-W640 HydrophobicContact CG-CZ3 4.02Å; L184-F643 HydrophobicContact CD1-CE2 4.09Å; L184-F643 HydrophobicContact CD1-CZ 3.85Å; L184-F643 HydrophobicContact CD2-CE2 4.32Å; L184-F643 HydrophobicContact CG-CE2 4.05Å; L184-F643 HydrophobicContact CG-CZ 4.29Å; L184-M661 HydrophobicContact CD1-CG 4.03Å; L184-P877 HydrophobicContact CD2-CB 4.03Å; L184-W880 HydrophobicContact CB-CE3 4.18Å; L184-W880 HydrophobicContact CB-CH2 4.21Å; L184-W880 HydrophobicContact CB-CZ3 3.72Å; L184-W880 HydrophobicContact CD1-CD2 4.08Å; L184-W880 HydrophobicContact CD1-CE3 3.91Å; L184-W880 HydrophobicContact CD1-CZ3 4.2Å; L184-W880 HydrophobicContact CD2-CE3 4.18Å; L184-W880 HydrophobicContact CD2-CZ3 4.49Å; L184-W880 HydrophobicContact CG-CE3 4.31Å; L184-W880 HydrophobicContact CG-CZ3 4.35Å; L184-M881 HydrophobicContact CB-SD 4.17Å; L184-M881 HydrophobicContact CD2-CG 3.71Å; L184-M881 HydrophobicContact CD2-SD 3.72Å |
| 185 | K | 98.8 | Very high | 98.2 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.6 | -173.5 | 65.3 | -172.8 | 179 | 0 | 111.5 | L181 A182 E183 I187 A188 S189 W640 E642 | L181-K185 VanDerWaalsContact O-CB 3.26Å; L181-K185 WeakPolarHBondContact O-CB 3.46Å; L181-K185 PolarHBondContact O-N 3.23Å; A182-K185 PolarHBondContact O-N 2.88Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 2.98Å; K185-I187 VanDerWaalsContact C-N 3.33Å; K185-A188 PolarHBondContact O-N 3.06Å; K185-S189 WeakPolarHBondContact O-CB 3.12Å; K185-S189 PolarHBondContact O-N 2.83Å; K185-W640 VanDerWaalsContact CA-CZ3 3.47Å; K185-W640 HydrophobicContact CB-CH2 3.71Å; K185-W640 HydrophobicContact CB-CZ2 4.49Å; K185-W640 HydrophobicContact CB-CZ3 3.77Å; K185-W640 HydrophobicContact CD-CD2 4.04Å; K185-W640 HydrophobicContact CD-CE3 3.76Å; K185-W640 HydrophobicContact CD-CH2 4.07Å; K185-W640 HydrophobicContact CD-CZ2 4.31Å; K185-W640 HydrophobicContact CD-CZ3 3.78Å; K185-W640 HydrophobicContact CG-CH2 4.45Å; K185-W640 HydrophobicContact CG-CZ3 4.4Å; K185-E642 IonicContact NZ-OE1 3.8Å; K185-E642 PolarHBondContact NZ-OE1 3.39Å; K185-E642 IonicContact NZ-OE2 3.01Å; K185-E642 PolarHBondContact NZ-OE2 3.45Å |
| 186 | A | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 49% | 0.488 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A182 E183 L184 S189 | A182-A186 PolarHBondContact O-N 3.25Å; E183-A186 WeakPolarHBondContact O-CB 3.36Å; E183-A186 PolarHBondContact O-N 3Å; E183-A186 VanDerWaalsContact O-N 3.16Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.08Å; A186-S189 PolarHBondContact O-N 3.14Å; A186-S189 PolarHBondContact O-OG 3.23Å |
| 187 | I | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -50.7 | 174.5 | -62.9 | 171.6 | 0 | 0 | 0 | 110.9 | E183 L184 K185 S189 R190 G657 Q660 M661 W880 | E183-I187 HydrophobicContact CG-CD1 4.49Å; E183-I187 WeakPolarHBondContact O-CG1 3.43Å; E183-I187 PolarHBondContact O-N 2.99Å; L184-I187 PolarHBondContact O-N 3.27Å; K185-I187 VanDerWaalsContact C-N 3.33Å; I187-S189 VanDerWaalsContact C-N 3.25Å; I187-S189 PolarHBondContact O-N 2.81Å; I187-R190 VanDerWaalsContact O-CB 3.32Å; I187-R190 WeakPolarHBondContact O-CB 3.42Å; I187-R190 PolarHBondContact O-N 3.21Å; I187-R190 VanDerWaalsContact O-N 3.08Å; I187-G657 WeakPolarHBondContact CG2-O 3.24Å; I187-G657 WeakPolarHBondContact O-CA 3.44Å; I187-Q660 HydrophobicContact CG2-CB 4.11Å; I187-Q660 HydrophobicContact CG2-CG 4.22Å; I187-M661 HydrophobicContact CG2-CB 4.06Å; I187-W880 HydrophobicContact CD1-CH2 4.4Å; I187-W880 HydrophobicContact CD1-CZ2 3.77Å |
| 188 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.8 | -38 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L184 K185 R190 N191 W640 E642 F643 | L184-A188 WeakPolarHBondContact O-CB 3.32Å; L184-A188 PolarHBondContact O-N 3.42Å; K185-A188 PolarHBondContact O-N 3.06Å; A188-R190 PolarHBondContact O-N 2.67Å; A188-N191 VanDerWaalsContact O-CB 3.32Å; A188-N191 WeakPolarHBondContact O-CB 3.32Å; A188-N191 PolarHBondContact O-N 2.87Å; A188-W640 HydrophobicContact CB-CE3 4.05Å; A188-W640 HydrophobicContact CB-CZ3 4.33Å; A188-E642 HydrophobicContact CB-CB 4.01Å; A188-E642 WeakPolarHBondContact O-CB 3.24Å; A188-F643 HydrophobicContact CB-CD2 4.19Å; A188-F643 HydrophobicContact CB-CE1 4.15Å; A188-F643 HydrophobicContact CB-CE2 3.59Å; A188-F643 HydrophobicContact CB-CZ 3.57Å |
| 189 | S | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 40.9 Ų | 40.9 | 54% | 0.538 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.7 | 179.4 | 75.2 | 0 | 0 | 0 | 0 | 114.9 | K185 A186 I187 N191 | K185-S189 WeakPolarHBondContact O-CB 3.12Å; K185-S189 PolarHBondContact O-N 2.83Å; A186-S189 PolarHBondContact O-N 3.14Å; A186-S189 PolarHBondContact O-OG 3.23Å; I187-S189 VanDerWaalsContact C-N 3.25Å; I187-S189 PolarHBondContact O-N 2.81Å; S189-N191 VanDerWaalsContact C-N 3.32Å |
| 190 | R | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 39.1 Ų | 39.1 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -16 | 172.2 | -58.4 | -178.3 | 62.3 | 179.1 | -0.9 | 113 | I187 A188 E656 | I187-R190 VanDerWaalsContact O-CB 3.32Å; I187-R190 WeakPolarHBondContact O-CB 3.42Å; I187-R190 PolarHBondContact O-N 3.21Å; I187-R190 VanDerWaalsContact O-N 3.08Å; A188-R190 PolarHBondContact O-N 2.67Å; R190-E656 HydrophobicContact CB-CB 4.2Å; R190-E656 IonicContact CZ-OE2 3.52Å; R190-E656 IonicContact NE-OE2 2.67Å; R190-E656 PolarHBondContact NE-OE2 2.92Å; R190-E656 IonicContact NH2-OE2 3.54Å; R190-E656 PolarHBondContact NH2-OE2 3.31Å |
| 191 | N | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -72.9 | 136.1 | 173 | -71 | -20.6 | 0 | 0 | 0 | 110.4 | A188 S189 E642 L646 Q654 A655 G657 Y658 | A188-N191 VanDerWaalsContact O-CB 3.32Å; A188-N191 WeakPolarHBondContact O-CB 3.32Å; A188-N191 PolarHBondContact O-N 2.87Å; S189-N191 VanDerWaalsContact C-N 3.32Å; N191-E642 HydrophobicContact CB-CB 4.49Å; N191-E642 PolarHBondContact ND2-O 2.87Å; N191-L646 HydrophobicContact CB-CD1 4.19Å; N191-L646 HydrophobicContact CB-CD2 3.7Å; N191-Q654 CarbonylContact C-O 3.59Å; N191-Q654 VanDerWaalsContact CA-O 3.28Å; N191-Q654 WeakPolarHBondContact CA-O 3.09Å; N191-A655 WeakPolarHBondContact OD1-CA 3.47Å; N191-G657 WeakPolarHBondContact OD1-CA 3.19Å; N191-G657 PolarHBondContact OD1-N 3.14Å; N191-Y658 VanDerWaalsContact ND2-CD2 3.26Å; N191-Y658 WeakPolarHBondContact ND2-CD2 3.43Å; N191-Y658 PolarHBondContact OD1-N 2.95Å |
| 192 | K | 98.3 | Very high | 98.4 | Very high | 97 Ų | 97 | 39.1 Ų | 39.1 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | trans | -97.9 | 115.2 | 177 | -61.1 | 177.9 | -174.7 | 165.8 | 0 | 109.5 | F194 Q654 | K192-F194 VanDerWaalsContact C-N 3.33Å; K192-F194 HydrophobicContact CB-CD1 3.95Å; K192-F194 HydrophobicContact CB-CE1 3.94Å; K192-F194 HydrophobicContact CD-CE1 4.27Å; K192-F194 PolarHBondContact O-N 2.79Å; K192-Q654 HydrophobicContact CB-CB 4.13Å; K192-Q654 HydrophobicContact CB-CG 4.33Å; K192-Q654 PolarHBondContact N-O 2.57Å | ||
| 193 | R | 97.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 36.4 Ų | 36.4 | 46% | 0.457 | 19% | 0.186 | S | C | . | . | trans | -84.6 | 73.2 | -178.8 | -71.6 | 171.1 | 57.6 | -148.6 | -1.4 | 111.2 | P641 E645 L646 | R193-P641 VanDerWaalsContact NE-CB 3.34Å; R193-E645 IonicContact CZ-OE2 2.66Å; R193-E645 IonicContact NE-OE2 3.32Å; R193-E645 PolarHBondContact NE-OE2 3.34Å; R193-E645 VanDerWaalsContact NH2-CD 3.32Å; R193-E645 IonicContact NH2-OE1 3.58Å; R193-E645 PolarHBondContact NH2-OE1 3.08Å; R193-E645 IonicContact NH2-OE2 2.72Å; R193-E645 PolarHBondContact NH2-OE2 3.41Å; R193-L646 HydrophobicContact CG-CD1 3.86Å | ||
| 194 | F | 98 | Very high | 98.4 | Very high | 24 Ų | 24 | 34.4 Ų | 34.4 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | trans | -73.8 | 144.5 | 174.6 | -82.6 | 31.5 | 0 | 0 | 0 | 110.6 | K192 S196 E519 E522 N524 Q654 | K192-F194 VanDerWaalsContact C-N 3.33Å; K192-F194 HydrophobicContact CB-CD1 3.95Å; K192-F194 HydrophobicContact CB-CE1 3.94Å; K192-F194 HydrophobicContact CD-CE1 4.27Å; K192-F194 PolarHBondContact O-N 2.79Å; F194-S196 PolarHBondContact O-N 3.38Å; F194-S196 PolarHBondContact O-OG 3.15Å; F194-S196 VanDerWaalsContact O-OG 3.13Å; F194-E519 HydrophobicContact CE2-CG 4.32Å; F194-E522 CarbonylContact C-O 3.58Å; F194-E522 VanDerWaalsContact CA-O 3.27Å; F194-E522 WeakPolarHBondContact CA-O 3.46Å; F194-E522 VanDerWaalsContact CB-O 3.31Å; F194-E522 WeakPolarHBondContact CB-O 3.49Å; F194-E522 HydrophobicContact CD1-CB 3.76Å; F194-E522 HydrophobicContact CD1-CG 4.21Å; F194-E522 VanDerWaalsContact CD2-C 3.4Å; F194-E522 HydrophobicContact CD2-CB 4.31Å; F194-E522 HydrophobicContact CE1-CB 3.76Å; F194-E522 HydrophobicContact CE1-CG 3.7Å; F194-E522 HydrophobicContact CE2-CB 4.32Å; F194-E522 HydrophobicContact CG-CB 4.05Å; F194-E522 WeakPolarHBondContact CG-O 3.23Å; F194-E522 HydrophobicContact CZ-CB 4.05Å; F194-E522 HydrophobicContact CZ-CG 3.95Å; F194-N524 WeakPolarHBondContact CB-ND2 3.41Å; F194-Q654 VanDerWaalsContact CD2-NE2 3.33Å | ||
| 195 | T | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 33% | 0.331 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 116.4 | 170.3 | -54.4 | 0 | 0 | 0 | 0 | 108.2 | Y197 E522 I523 N524 | T195-Y197 HydrophobicContact CG2-CE1 3.98Å; T195-Y197 HydrophobicContact CG2-CE2 3.91Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.47Å; T195-Y197 VanDerWaalsContact CG2-OH 3.22Å; T195-Y197 WeakPolarHBondContact CG2-OH 3.36Å; T195-E522 PolarHBondContact N-O 2.88Å; T195-I523 WeakPolarHBondContact O-CA 3.4Å; T195-N524 PolarHBondContact O-N 3.12Å |
| 196 | S | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.4 | -166.2 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | F194 N524 | F194-S196 PolarHBondContact O-N 3.38Å; F194-S196 PolarHBondContact O-OG 3.15Å; F194-S196 VanDerWaalsContact O-OG 3.13Å; S196-N524 PolarHBondContact OG-ND2 3.29Å |
| 197 | Y | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 31.8 | 176.5 | -54.9 | -59.9 | 0 | 0 | 0 | 112.4 | T195 I523 N524 L525 I535 T536 L537 N545 L549 | T195-Y197 HydrophobicContact CG2-CE1 3.98Å; T195-Y197 HydrophobicContact CG2-CE2 3.91Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.47Å; T195-Y197 VanDerWaalsContact CG2-OH 3.22Å; T195-Y197 WeakPolarHBondContact CG2-OH 3.36Å; Y197-I523 HydrophobicContact CD2-CG2 3.65Å; Y197-I523 HydrophobicContact CE2-CD1 4.49Å; Y197-I523 HydrophobicContact CE2-CG1 4.42Å; Y197-I523 HydrophobicContact CE2-CG2 3.89Å; Y197-N524 PolarHBondContact N-O 2.95Å; Y197-L525 HydrophobicContact CD2-CD2 4.22Å; Y197-I535 HydrophobicContact CG-CG2 4.24Å; Y197-I535 WeakPolarHBondContact O-CA 3.36Å; Y197-T536 WeakPolarHBondContact CA-O 3.38Å; Y197-T536 WeakPolarHBondContact CD1-O 3.49Å; Y197-T536 PolarHBondContact O-N 3.4Å; Y197-L537 HydrophobicContact CD1-CD2 3.92Å; Y197-L537 HydrophobicContact CE1-CD2 3.99Å; Y197-L537 HydrophobicContact CG-CD2 4.47Å; Y197-N545 VanDerWaalsContact OH-CB 3.3Å; Y197-N545 WeakPolarHBondContact OH-CB 3.41Å; Y197-L549 HydrophobicContact CD2-CD1 4.16Å; Y197-L549 HydrophobicContact CD2-CD2 3.74Å; Y197-L549 HydrophobicContact CD2-CG 4.34Å; Y197-L549 HydrophobicContact CE2-CD1 3.86Å; Y197-L549 HydrophobicContact CE2-CD2 3.79Å; Y197-L549 HydrophobicContact CE2-CG 3.96Å |
| 198 | I | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | trans | -71.1 | -39.6 | -177.6 | -65.1 | 165.4 | 0 | 0 | 0 | 111.1 | M200 N524 R526 H647 | I198-M200 HydrophobicContact CG2-CG 4.19Å; I198-M200 HydrophobicContact CG2-SD 3.83Å; I198-N524 HydrophobicContact CD1-CB 3.86Å; I198-N524 HydrophobicContact CG1-CB 3.95Å; I198-R526 HydrophobicContact CG2-CB 4.36Å; I198-H647 VanDerWaalsContact CG2-CE1 3.45Å; I198-H647 WeakPolarHBondContact CG2-CE1 3.46Å | ||
| 199 | G | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | 73.8 | -122.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G201 Y202 T536 H647 | G199-G201 PolarHBondContact O-N 3.15Å; G199-Y202 PolarHBondContact O-N 2.96Å; G199-Y202 VanDerWaalsContact O-O 3.12Å; G199-T536 WeakPolarHBondContact CA-OG1 3.22Å; G199-H647 PolarHBondContact O-NE2 2.95Å |
| 200 | M | 98.2 | Very high | 98.3 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 36.6 | 178.8 | -54.5 | 177.5 | 57.2 | 0 | 0 | 113.7 | I198 Y202 P294 Q295 R526 F649 V852 | I198-M200 HydrophobicContact CG2-CG 4.19Å; I198-M200 HydrophobicContact CG2-SD 3.83Å; M200-Y202 WeakPolarHBondContact O-CD2 3.47Å; M200-P294 HydrophobicContact CE-CG 3.29Å; M200-Q295 PolarHBondContact O-NE2 3.45Å; M200-R526 HydrophobicContact SD-CG 4.32Å; M200-F649 HydrophobicContact CB-CD2 4.07Å; M200-F649 HydrophobicContact CB-CE2 4Å; M200-F649 HydrophobicContact CE-CD2 3.96Å; M200-F649 HydrophobicContact CE-CE2 4.08Å; M200-F649 HydrophobicContact SD-CD2 4.09Å; M200-V852 HydrophobicContact CE-CG1 3.73Å; M200-V852 HydrophobicContact CE-CG2 4.21Å |
| 201 | G | 97.7 | Very high | 98.3 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 19% | 0.186 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -2.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G199 H293 | G199-G201 PolarHBondContact O-N 3.15Å; G201-H293 PolarHBondContact N-NE2 3.37Å |
| 202 | Y | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 130.6 | 179 | -53.6 | -89.5 | 0 | 0 | 0 | 110.8 | G199 M200 G393 H396 H647 P648 F649 A867 | G199-Y202 PolarHBondContact O-N 2.96Å; G199-Y202 VanDerWaalsContact O-O 3.12Å; M200-Y202 WeakPolarHBondContact O-CD2 3.47Å; Y202-G393 WeakPolarHBondContact CE1-O 3.38Å; Y202-H396 AromaticContact CD1-CE1 3.74Å; Y202-H396 AromaticContact CD1-ND1 3.94Å; Y202-H396 AromaticContact CE1-CE1 3.74Å; Y202-H396 AromaticContact CE1-ND1 3.6Å; Y202-H647 PolarHBondContact O-NE2 2.77Å; Y202-P648 HydrophobicContact CD1-CG 3.86Å; Y202-P648 HydrophobicContact CD2-CG 3.51Å; Y202-P648 HydrophobicContact CE1-CG 4.05Å; Y202-P648 HydrophobicContact CE2-CG 3.73Å; Y202-P648 HydrophobicContact CG-CG 3.58Å; Y202-F649 AromaticContact CD2-CE2 3.95Å; Y202-F649 HydrophobicContact CD2-CE2 3.95Å; Y202-F649 HydrophobicContact CD2-CZ 4.34Å; Y202-F649 AromaticContact CE2-CE2 3.79Å; Y202-F649 HydrophobicContact CE2-CE2 3.79Å; Y202-F649 AromaticContact CE2-CZ 3.76Å; Y202-F649 HydrophobicContact CE2-CZ 3.76Å; Y202-A867 WeakPolarHBondContact OH-CB 3.29Å |
| 203 | T | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -143.6 | 160.3 | 173.9 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | Q384 R385 M390 T536 D538 | T203-Q384 VanDerWaalsContact N-OE1 3.12Å; T203-Q384 PolarHBondContact O-NE2 3.33Å; T203-Q384 PolarHBondContact O-OE1 2.94Å; T203-R385 WeakPolarHBondContact OG1-CD 3.34Å; T203-R385 VanDerWaalsContact OG1-CG 3.23Å; T203-R385 WeakPolarHBondContact OG1-CG 3.4Å; T203-M390 VanDerWaalsContact O-CG 3.28Å; T203-M390 WeakPolarHBondContact O-CG 3.26Å; T203-T536 HydrophobicContact CG2-CG2 3.54Å; T203-D538 HydrophobicContact CG2-CB 4.29Å | ||
| 204 | A | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | trans | -67.9 | 146.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M390 D538 T540 | A204-M390 HydrophobicContact CB-CE 4.08Å; A204-D538 WeakPolarHBondContact CB-OD2 3.5Å; A204-D538 PolarHBondContact N-OD2 3.13Å; A204-D538 WeakPolarHBondContact O-CB 3.46Å; A204-D538 VanDerWaalsContact O-CG 3.27Å; A204-T540 HydrophobicContact CB-CG2 3.66Å | ||
| 205 | V | 97.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 33 Ų | 33 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | trans | -142.2 | 152.3 | -175 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | R385 V388 E539 | V205-R385 VanDerWaalsContact CG2-O 3.29Å; V205-R385 WeakPolarHBondContact CG2-O 3.4Å; V205-V388 WeakPolarHBondContact CG1-O 3.48Å; V205-E539 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 206 | Q | 97.5 | Very high | 98.3 | Very high | 101 Ų | 101 | 31.3 Ų | 31.3 | 47% | 0.472 | 17% | 0.165 | S | C | . | . | trans | -93.9 | 96.8 | 172.6 | -63 | -174.1 | -16.4 | 0 | 0 | 109.3 | P208 E539 T540 | Q206-P208 WeakPolarHBondContact O-CD 3.4Å; Q206-E539 HydrophobicContact CB-CG 4.34Å; Q206-E539 HydrophobicContact CG-CG 4.13Å; Q206-E539 PolarHBondContact N-OE2 2.81Å; Q206-T540 HydrophobicContact CG-CG2 4.14Å | ||
| 207 | L | 98.1 | Very high | 98.3 | Very high | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | trans | -67.2 | 117.4 | 168.7 | 169.3 | 57.7 | 0 | 0 | 0 | 109 | I211 L212 L216 G387 P389 I457 | L207-I211 HydrophobicContact CD1-CB 4.02Å; L207-I211 HydrophobicContact CD1-CG2 3.91Å; L207-L212 HydrophobicContact CD2-CB 3.77Å; L207-L212 HydrophobicContact CD2-CD1 3.77Å; L207-L212 HydrophobicContact CD2-CG 4.28Å; L207-L212 HydrophobicContact CG-CB 3.95Å; L207-L216 HydrophobicContact CD2-CD2 4.13Å; L207-G387 WeakPolarHBondContact CB-O 3.34Å; L207-G387 WeakPolarHBondContact CD1-O 3.45Å; L207-P389 HydrophobicContact CD2-CG 4.41Å; L207-I457 HydrophobicContact CD1-CG2 3.93Å | ||
| 208 | P | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | trans | -57.1 | 127.7 | -179.8 | -28.5 | 37.9 | 0 | 0 | 0 | 110.9 | Q206 V210 I211 L212 Y461 Y464 | Q206-P208 WeakPolarHBondContact O-CD 3.4Å; P208-V210 HydrophobicContact CB-CG1 4.25Å; P208-V210 PolarHBondContact O-N 2.98Å; P208-I211 HydrophobicContact CB-CD1 4.15Å; P208-I211 HydrophobicContact CB-CG1 4.26Å; P208-I211 HydrophobicContact CG-CD1 4Å; P208-I211 PolarHBondContact O-N 3.2Å; P208-L212 PolarHBondContact O-N 2.78Å; P208-Y461 HydrophobicContact CG-CD2 4.02Å; P208-Y461 HydrophobicContact CG-CE2 4.39Å; P208-Y464 HydrophobicContact CB-CD1 4.03Å; P208-Y464 HydrophobicContact CB-CE1 4.08Å; P208-Y464 HydrophobicContact CG-CD1 3.96Å; P208-Y464 HydrophobicContact CG-CE1 4.39Å | ||
| 209 | P | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 37.9 Ų | 37.9 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -54.7 | -30.7 | -177.1 | -30.5 | 36.2 | 0 | 0 | 0 | 114.1 | R213 | P209-R213 WeakPolarHBondContact O-CB 3.38Å; P209-R213 PolarHBondContact O-N 3.28Å |
| 210 | V | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 175.6 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | P208 N214 Y464 E598 M601 M602 M605 | P208-V210 HydrophobicContact CB-CG1 4.25Å; P208-V210 PolarHBondContact O-N 2.98Å; V210-N214 VanDerWaalsContact O-CB 3.29Å; V210-N214 WeakPolarHBondContact O-CB 3.23Å; V210-N214 PolarHBondContact O-N 2.86Å; V210-N214 PolarHBondContact O-ND2 3.06Å; V210-Y464 HydrophobicContact CG1-CE2 4.35Å; V210-E598 HydrophobicContact CB-CG 3.8Å; V210-E598 HydrophobicContact CG1-CG 4.37Å; V210-E598 HydrophobicContact CG2-CG 3.59Å; V210-M601 HydrophobicContact CG1-CG 3.96Å; V210-M602 HydrophobicContact CG2-CG 3.34Å; V210-M602 HydrophobicContact CG2-SD 4.32Å; V210-M605 HydrophobicContact CG2-CE 3.88Å; V210-M605 WeakPolarHBondContact O-CE 3.47Å |
| 211 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.7 | -40.7 | 177.3 | -61 | 173.8 | 0 | 0 | 0 | 110 | L207 P208 R213 M215 L216 I457 L460 M605 | L207-I211 HydrophobicContact CD1-CB 4.02Å; L207-I211 HydrophobicContact CD1-CG2 3.91Å; P208-I211 HydrophobicContact CB-CD1 4.15Å; P208-I211 HydrophobicContact CB-CG1 4.26Å; P208-I211 HydrophobicContact CG-CD1 4Å; P208-I211 PolarHBondContact O-N 3.2Å; I211-R213 PolarHBondContact O-N 2.8Å; I211-M215 HydrophobicContact CG2-CB 4.31Å; I211-M215 WeakPolarHBondContact O-CA 3.38Å; I211-M215 VanDerWaalsContact O-CB 3.31Å; I211-M215 WeakPolarHBondContact O-CB 3.42Å; I211-M215 PolarHBondContact O-N 2.88Å; I211-L216 PolarHBondContact O-N 3.37Å; I211-I457 HydrophobicContact CG2-CB 4.47Å; I211-I457 HydrophobicContact CG2-CG1 4.18Å; I211-I457 HydrophobicContact CG2-CG2 4.09Å; I211-L460 HydrophobicContact CD1-CB 3.79Å; I211-L460 HydrophobicContact CG1-CB 4.27Å; I211-L460 HydrophobicContact CG2-CD1 4.47Å; I211-M605 HydrophobicContact CG1-SD 4.39Å |
| 212 | L | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -51.1 | -58 | 173.5 | 172.5 | 58.8 | 0 | 0 | 0 | 110.8 | L207 P208 L216 E217 T639 | L207-L212 HydrophobicContact CD2-CB 3.77Å; L207-L212 HydrophobicContact CD2-CD1 3.77Å; L207-L212 HydrophobicContact CD2-CG 4.28Å; L207-L212 HydrophobicContact CG-CB 3.95Å; P208-L212 PolarHBondContact O-N 2.78Å; L212-L216 HydrophobicContact CD1-CB 4.37Å; L212-L216 HydrophobicContact CD1-CD2 3.95Å; L212-L216 PolarHBondContact O-N 3.26Å; L212-E217 HydrophobicContact CD1-CG 4.03Å; L212-E217 PolarHBondContact O-N 3.19Å; L212-T639 HydrophobicContact CD1-CG2 3.67Å |
| 213 | R | 98.5 | Very high | 98.3 | Very high | 184 Ų | 184 | 37.6 Ų | 37.6 | 69% | 0.694 | 19% | 0.193 | S | C | * | . | I | π-helix | trans | -71.1 | -41.1 | -173.2 | -175.8 | 172.4 | -176.3 | 158.1 | 3.8 | 113.7 | P209 I211 | P209-R213 WeakPolarHBondContact O-CB 3.38Å; P209-R213 PolarHBondContact O-N 3.28Å; I211-R213 PolarHBondContact O-N 2.8Å |
| 214 | N | 98.3 | Very high | 98.2 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -97.5 | -2.5 | -170.2 | -59.5 | -78.4 | 0 | 0 | 0 | 113.8 | V210 N218 W221 M605 | V210-N214 VanDerWaalsContact O-CB 3.29Å; V210-N214 WeakPolarHBondContact O-CB 3.23Å; V210-N214 PolarHBondContact O-N 2.86Å; V210-N214 PolarHBondContact O-ND2 3.06Å; N214-N218 VanDerWaalsContact O-CB 3.3Å; N214-N218 WeakPolarHBondContact O-CB 3.27Å; N214-N218 PolarHBondContact O-ND2 2.92Å; N214-N218 VanDerWaalsContact O-ND2 3.17Å; N214-W221 VanDerWaalsContact O-CD1 3.3Å; N214-M605 HydrophobicContact CB-CE 3.72Å; N214-M605 HydrophobicContact CB-SD 4.18Å |
| 215 | M | 97.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -130 | -61.9 | 175.3 | -178.3 | 151.8 | -166 | 0 | 0 | 113.4 | I211 E217 N218 W221 L453 N456 I457 L460 M605 | I211-M215 HydrophobicContact CG2-CB 4.31Å; I211-M215 WeakPolarHBondContact O-CA 3.38Å; I211-M215 VanDerWaalsContact O-CB 3.31Å; I211-M215 WeakPolarHBondContact O-CB 3.42Å; I211-M215 PolarHBondContact O-N 2.88Å; M215-E217 VanDerWaalsContact C-N 3.32Å; M215-E217 PolarHBondContact O-N 3Å; M215-N218 PolarHBondContact O-N 2.99Å; M215-W221 HydrophobicContact CB-CG 4.42Å; M215-W221 HydrophobicContact CE-CB 4.35Å; M215-W221 HydrophobicContact CE-CD2 3.65Å; M215-W221 HydrophobicContact CE-CE3 3.19Å; M215-W221 HydrophobicContact CE-CG 4.18Å; M215-W221 HydrophobicContact CE-CH2 4.39Å; M215-W221 HydrophobicContact CE-CZ3 3.62Å; M215-W221 HydrophobicContact CG-CB 4.11Å; M215-W221 HydrophobicContact CG-CD2 4.12Å; M215-W221 HydrophobicContact CG-CG 3.92Å; M215-W221 HydrophobicContact SD-CD2 3.99Å; M215-W221 HydrophobicContact SD-CE3 4.03Å; M215-W221 HydrophobicContact SD-CG 4.43Å; M215-W221 HydrophobicContact SD-CZ3 4.31Å; M215-L453 HydrophobicContact CE-CD1 3.74Å; M215-L453 HydrophobicContact CG-CD1 4.15Å; M215-N456 HydrophobicContact CE-CB 3.14Å; M215-N456 HydrophobicContact SD-CB 4.07Å; M215-I457 HydrophobicContact CG-CG1 4.28Å; M215-I457 HydrophobicContact SD-CG1 4.37Å; M215-L460 HydrophobicContact SD-CD1 3.28Å; M215-L460 WeakPolarHBondContact SD-CD1 3.23Å; M215-L460 HydrophobicContact SD-CG 4.39Å; M215-M605 HydrophobicContact CB-SD 4.26Å |
| 216 | L | 98.1 | Very high | 98.1 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -65.6 | -37.5 | -177.2 | -178.3 | 58.3 | 0 | 0 | 0 | 111.9 | L207 I211 L212 Y222 L453 I457 I638 T639 | L207-L216 HydrophobicContact CD2-CD2 4.13Å; I211-L216 PolarHBondContact O-N 3.37Å; L212-L216 HydrophobicContact CD1-CB 4.37Å; L212-L216 HydrophobicContact CD1-CD2 3.95Å; L212-L216 PolarHBondContact O-N 3.26Å; L216-Y222 WeakPolarHBondContact O-CD1 3.34Å; L216-L453 HydrophobicContact CD1-CD2 4.01Å; L216-I457 HydrophobicContact CB-CD1 4.05Å; L216-I457 HydrophobicContact CD1-CD1 4.15Å; L216-I457 HydrophobicContact CG-CD1 4.48Å; L216-I638 HydrophobicContact CD1-CD1 4.36Å; L216-T639 HydrophobicContact CD2-CG2 3.9Å; L216-T639 HydrophobicContact CG-CG2 4.31Å |
| 217 | E | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 30.9 Ų | 30.9 | 42% | 0.416 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 15.6 | 178.4 | -60.6 | 179.4 | 156.3 | 0 | 0 | 113.1 | L212 M215 T639 | L212-E217 HydrophobicContact CD1-CG 4.03Å; L212-E217 PolarHBondContact O-N 3.19Å; M215-E217 VanDerWaalsContact C-N 3.32Å; M215-E217 PolarHBondContact O-N 3Å; E217-T639 HydrophobicContact CG-CG2 4.04Å; E217-T639 WeakPolarHBondContact OE1-CB 3.27Å; E217-T639 WeakPolarHBondContact OE1-CG2 3.4Å; E217-T639 PolarHBondContact OE1-OG1 3.36Å |
| 218 | N | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | trans | -111 | 114.4 | -179.9 | -175.6 | -2.9 | 0 | 0 | 0 | 112.1 | N214 M215 G220 W221 Y222 E609 | N214-N218 VanDerWaalsContact O-CB 3.3Å; N214-N218 WeakPolarHBondContact O-CB 3.27Å; N214-N218 PolarHBondContact O-ND2 2.92Å; N214-N218 VanDerWaalsContact O-ND2 3.17Å; M215-N218 PolarHBondContact O-N 2.99Å; N218-G220 PolarHBondContact O-N 3.48Å; N218-G220 VanDerWaalsContact O-N 3.13Å; N218-G220 PolarHBondContact OD1-N 3.24Å; N218-W221 PolarHBondContact O-N 3.38Å; N218-Y222 WeakPolarHBondContact O-CD1 3.43Å; N218-Y222 PolarHBondContact O-N 3.37Å; N218-E609 VanDerWaalsContact ND2-CD 3.26Å; N218-E609 PolarHBondContact ND2-OE1 3.48Å; N218-E609 PolarHBondContact ND2-OE2 2.67Å; N218-E609 PolarHBondContact OD1-OE1 3.27Å | ||
| 219 | P | 98.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 29% | 0.292 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.6 | -23.3 | 179 | 22.7 | -32.8 | 0 | 0 | 0 | 114.1 | W221 Y222 T223 | P219-W221 PolarHBondContact O-N 2.94Å; P219-Y222 VanDerWaalsContact CA-CE1 3.42Å; P219-Y222 VanDerWaalsContact CA-CZ 3.44Å; P219-Y222 HydrophobicContact CB-CE1 4.07Å; P219-Y222 HydrophobicContact CB-CE2 4Å; P219-T223 HydrophobicContact CB-CG2 3.79Å; P219-T223 WeakPolarHBondContact O-CB 3.23Å; P219-T223 VanDerWaalsContact O-CG2 3.29Å; P219-T223 WeakPolarHBondContact O-CG2 3.21Å; P219-T223 PolarHBondContact O-N 3.12Å; P219-T223 PolarHBondContact O-OG1 3.45Å |
| 220 | G | 98 | Very high | 97.6 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -19.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N218 | N218-G220 PolarHBondContact O-N 3.48Å; N218-G220 VanDerWaalsContact O-N 3.13Å; N218-G220 PolarHBondContact OD1-N 3.24Å |
| 221 | W | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 4% | 0.038 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -104 | -38.7 | 177.7 | -80 | 98.1 | 0 | 0 | 0 | 114 | N214 M215 N218 P219 R236 A239 L453 M605 L608 E609 | N214-W221 VanDerWaalsContact O-CD1 3.3Å; M215-W221 HydrophobicContact CB-CG 4.42Å; M215-W221 HydrophobicContact CE-CB 4.35Å; M215-W221 HydrophobicContact CE-CD2 3.65Å; M215-W221 HydrophobicContact CE-CE3 3.19Å; M215-W221 HydrophobicContact CE-CG 4.18Å; M215-W221 HydrophobicContact CE-CH2 4.39Å; M215-W221 HydrophobicContact CE-CZ3 3.62Å; M215-W221 HydrophobicContact CG-CB 4.11Å; M215-W221 HydrophobicContact CG-CD2 4.12Å; M215-W221 HydrophobicContact CG-CG 3.92Å; M215-W221 HydrophobicContact SD-CD2 3.99Å; M215-W221 HydrophobicContact SD-CE3 4.03Å; M215-W221 HydrophobicContact SD-CG 4.43Å; M215-W221 HydrophobicContact SD-CZ3 4.31Å; N218-W221 PolarHBondContact O-N 3.38Å; P219-W221 PolarHBondContact O-N 2.94Å; W221-R236 HydrophobicContact CZ3-CB 4.29Å; W221-A239 HydrophobicContact CH2-CB 4.36Å; W221-A239 HydrophobicContact CZ3-CB 4.35Å; W221-L453 HydrophobicContact CB-CD1 4.43Å; W221-M605 HydrophobicContact CZ2-CB 4.48Å; W221-M605 WeakPolarHBondContact CZ2-O 2.98Å; W221-L608 HydrophobicContact CH2-CB 3.6Å; W221-L608 HydrophobicContact CH2-CD1 3.9Å; W221-L608 HydrophobicContact CH2-CG 4.42Å; W221-L608 HydrophobicContact CZ2-CB 3.71Å; W221-L608 HydrophobicContact CZ2-CD1 4.4Å; W221-E609 HydrophobicContact CZ2-CB 4.48Å |
| 222 | Y | 98.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -93 | -16.5 | -171.5 | 68.8 | -117 | 0 | 0 | 0 | 114.6 | L216 N218 P219 N630 M635 P826 H827 G828 | L216-Y222 WeakPolarHBondContact O-CD1 3.34Å; N218-Y222 WeakPolarHBondContact O-CD1 3.43Å; N218-Y222 PolarHBondContact O-N 3.37Å; P219-Y222 VanDerWaalsContact CA-CE1 3.42Å; P219-Y222 VanDerWaalsContact CA-CZ 3.44Å; P219-Y222 HydrophobicContact CB-CE1 4.07Å; P219-Y222 HydrophobicContact CB-CE2 4Å; Y222-N630 HydrophobicContact CE2-CB 3.95Å; Y222-M635 HydrophobicContact CD1-CE 3.99Å; Y222-M635 HydrophobicContact CD2-CE 4.29Å; Y222-M635 HydrophobicContact CE1-CE 4Å; Y222-M635 HydrophobicContact CE2-CE 4.3Å; Y222-M635 HydrophobicContact CE2-CG 4.35Å; Y222-M635 HydrophobicContact CG-CE 4.15Å; Y222-P826 HydrophobicContact CD2-CB 3.52Å; Y222-P826 HydrophobicContact CD2-CG 4.33Å; Y222-P826 HydrophobicContact CE2-CB 4.35Å; Y222-P826 HydrophobicContact CG-CB 4.1Å; Y222-P826 WeakPolarHBondContact O-CB 3.18Å; Y222-H827 PolarHBondContact O-N 3.46Å; Y222-G828 WeakPolarHBondContact O-CA 3.19Å; Y222-G828 PolarHBondContact O-N 3.29Å |
| 223 | T | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.043 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -88.3 | -25.3 | -173.2 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | P219 A614 L615 M627 | P219-T223 HydrophobicContact CB-CG2 3.79Å; P219-T223 WeakPolarHBondContact O-CB 3.23Å; P219-T223 VanDerWaalsContact O-CG2 3.29Å; P219-T223 WeakPolarHBondContact O-CG2 3.21Å; P219-T223 PolarHBondContact O-N 3.12Å; P219-T223 PolarHBondContact O-OG1 3.45Å; T223-A614 WeakPolarHBondContact OG1-CB 3.25Å; T223-L615 HydrophobicContact CG2-CB 4.24Å; T223-L615 PolarHBondContact OG1-N 3.34Å; T223-M627 WeakPolarHBondContact O-CE 3.45Å |
| 224 | A | 97.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | trans | -67.3 | 162.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | A614 H827 G828 G829 | A224-A614 HydrophobicContact CB-CB 4.15Å; A224-H827 CarbonylContact O-C 3.52Å; A224-H827 VanDerWaalsContact O-CB 3.28Å; A224-H827 WeakPolarHBondContact O-CB 3.39Å; A224-G828 PolarHBondContact O-N 2.99Å; A224-G829 WeakPolarHBondContact O-CA 3.42Å; A224-G829 PolarHBondContact O-N 2.97Å | ||
| 225 | Y | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 15 Ų | 15 | 2% | 0.024 | 7% | 0.074 | C | C | . | . | trans | -113.9 | -163.3 | 175.6 | -161.8 | -153.2 | 0 | 0 | 0 | 112.5 | R236 T449 L622 C625 M627 H827 G829 | Y225-R236 PolarHBondContact O-NE 2.86Å; Y225-R236 VanDerWaalsContact O-NE 3.09Å; Y225-R236 PolarHBondContact O-NH2 3.41Å; Y225-T449 HydrophobicContact CE2-CG2 4.44Å; Y225-T449 PolarHBondContact OH-OG1 3.45Å; Y225-L622 HydrophobicContact CD1-CD1 4.44Å; Y225-C625 HydrophobicContact CD1-CB 4.07Å; Y225-C625 HydrophobicContact CE1-CB 4.17Å; Y225-M627 HydrophobicContact CD1-SD 4.48Å; Y225-M627 HydrophobicContact CG-SD 4.45Å; Y225-H827 AromaticContact CD1-CD2 3.94Å; Y225-H827 HydrophobicContact CD2-CB 3.57Å; Y225-H827 AromaticContact CD2-CD2 3.79Å; Y225-H827 HydrophobicContact CE2-CB 4.38Å; Y225-H827 HydrophobicContact CG-CB 3.88Å; Y225-H827 AromaticContact CG-CD2 3.66Å; Y225-G829 CarbonylContact C-O 3.54Å; Y225-G829 CarbonylContact O-C 3.59Å; Y225-G829 VanDerWaalsContact O-C 3.26Å; Y225-G829 WeakPolarHBondContact O-CA 3.45Å | ||
| 226 | T | 96.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -44.5 | 134.7 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | Y228 M429 G829 | T226-Y228 HydrophobicContact CG2-CD1 4Å; T226-Y228 HydrophobicContact CG2-CD2 4.35Å; T226-Y228 HydrophobicContact CG2-CE1 3.62Å; T226-Y228 HydrophobicContact CG2-CE2 4.02Å; T226-Y228 HydrophobicContact CG2-CG 4.33Å; T226-Y228 WeakPolarHBondContact O-CD2 3.21Å; T226-Y228 PolarHBondContact O-N 2.58Å; T226-M429 HydrophobicContact CG2-CE 4.05Å; T226-M429 HydrophobicContact CG2-SD 3.78Å; T226-G829 WeakPolarHBondContact CA-O 3.39Å |
| 227 | P | 96.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | trans | -74.7 | 58.2 | -174.8 | 32.2 | -37.7 | 0 | 0 | 0 | 112.9 | Q229 L237 M429 | P227-Q229 PolarHBondContact O-N 3Å; P227-L237 HydrophobicContact CB-CD1 4.17Å; P227-L237 HydrophobicContact CB-CD2 3.87Å; P227-L237 HydrophobicContact CB-CG 3.91Å; P227-L237 HydrophobicContact CG-CD2 3.59Å; P227-L237 HydrophobicContact CG-CG 4.15Å; P227-M429 HydrophobicContact CG-CG 4.13Å; P227-M429 HydrophobicContact CG-SD 4.15Å | ||
| 228 | Y | 93.5 | Very high | 97.3 | Very high | 71 Ų | 71 | 11.4 Ų | 11.4 | 28% | 0.278 | 6% | 0.056 | S | C | . | . | S | Bend | trans | -63.4 | -31.3 | 175.6 | -62.1 | -59.4 | 0 | 0 | 0 | 112.1 | T226 P230 M429 L622 | T226-Y228 HydrophobicContact CG2-CD1 4Å; T226-Y228 HydrophobicContact CG2-CD2 4.35Å; T226-Y228 HydrophobicContact CG2-CE1 3.62Å; T226-Y228 HydrophobicContact CG2-CE2 4.02Å; T226-Y228 HydrophobicContact CG2-CG 4.33Å; T226-Y228 WeakPolarHBondContact O-CD2 3.21Å; T226-Y228 PolarHBondContact O-N 2.58Å; Y228-P230 WeakPolarHBondContact O-CD 3.3Å; Y228-M429 HydrophobicContact CD1-CE 3.78Å; Y228-M429 HydrophobicContact CE1-CE 4.26Å; Y228-L622 HydrophobicContact CD2-CD2 4.49Å |
| 229 | Q | 95.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -104.9 | 84.9 | 173.2 | -63.5 | -64.4 | -27.8 | 0 | 0 | 109.7 | P227 E231 V232 S233 H956 A957 M960 | P227-Q229 PolarHBondContact O-N 3Å; Q229-E231 PolarHBondContact O-N 3.09Å; Q229-V232 HydrophobicContact CB-CG2 3.67Å; Q229-V232 WeakPolarHBondContact O-CG2 3.31Å; Q229-V232 PolarHBondContact O-N 2.98Å; Q229-V232 VanDerWaalsContact O-N 3.16Å; Q229-S233 WeakPolarHBondContact O-CB 3.34Å; Q229-S233 PolarHBondContact O-OG 2.87Å; Q229-H956 WeakPolarHBondContact CG-CE1 3.27Å; Q229-A957 HydrophobicContact CG-CB 4.08Å; Q229-M960 PolarHBondContact NE2-SD 2.83Å |
| 230 | P | 96 | Very high | 97.3 | Very high | 10 Ų | 10 | 8 Ų | 8 | 7% | 0.065 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -58.4 | -30.5 | -173.8 | 18.8 | -30.6 | 0 | 0 | 0 | 113.9 | Y228 V232 S233 Q234 L237 L427 R428 L1050 | Y228-P230 WeakPolarHBondContact O-CD 3.3Å; P230-V232 PolarHBondContact O-N 3.46Å; P230-S233 PolarHBondContact O-N 2.87Å; P230-Q234 PolarHBondContact O-N 3.32Å; P230-Q234 PolarHBondContact O-NE2 2.91Å; P230-L237 HydrophobicContact CB-CD1 3.93Å; P230-L427 WeakPolarHBondContact CB-O 3.46Å; P230-R428 HydrophobicContact CB-CB 4.31Å; P230-L1050 HydrophobicContact CB-CD1 4Å; P230-L1050 HydrophobicContact CB-CD2 3.65Å; P230-L1050 HydrophobicContact CB-CG 4.44Å; P230-L1050 HydrophobicContact CG-CB 4.47Å; P230-L1050 HydrophobicContact CG-CD1 3.91Å; P230-L1050 HydrophobicContact CG-CD2 3.7Å; P230-L1050 HydrophobicContact CG-CG 4.24Å |
| 231 | E | 97 | Very high | 97.3 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.009 | 4% | 0.035 | C | C | . | . | G | 310 helix | trans | -64.3 | -22.2 | -178.9 | -60.9 | 85.2 | 167.8 | 0 | 0 | 113.5 | Q229 K948 I951 P1014 V1047 K1048 R1049 L1050 | Q229-E231 PolarHBondContact O-N 3.09Å; E231-K948 VanDerWaalsContact CD-NZ 3.25Å; E231-K948 VanDerWaalsContact OE1-CE 3.3Å; E231-K948 WeakPolarHBondContact OE1-CE 3.38Å; E231-K948 IonicContact OE1-NZ 3.64Å; E231-K948 PolarHBondContact OE1-NZ 2.84Å; E231-K948 VanDerWaalsContact OE1-NZ 3.09Å; E231-K948 IonicContact OE2-NZ 2.9Å; E231-K948 PolarHBondContact OE2-NZ 3.17Å; E231-I951 HydrophobicContact CB-CD1 4.03Å; E231-P1014 HydrophobicContact CB-CG 3.85Å; E231-P1014 HydrophobicContact CG-CG 3.78Å; E231-V1047 HydrophobicContact CB-CG2 4.31Å; E231-V1047 HydrophobicContact CG-CG2 4.24Å; E231-K1048 WeakPolarHBondContact CG-O 3.29Å; E231-R1049 WeakPolarHBondContact OE1-CA 3.17Å; E231-L1050 HydrophobicContact CG-CD1 3.56Å; E231-L1050 PolarHBondContact OE1-N 2.97Å; E231-L1050 VanDerWaalsContact OE1-N 3.13Å |
| 232 | V | 97 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -115.9 | 26 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | Q229 P230 K611 D612 L613 I951 Y1043 | Q229-V232 HydrophobicContact CB-CG2 3.67Å; Q229-V232 WeakPolarHBondContact O-CG2 3.31Å; Q229-V232 PolarHBondContact O-N 2.98Å; Q229-V232 VanDerWaalsContact O-N 3.16Å; P230-V232 PolarHBondContact O-N 3.46Å; V232-K611 CarbonylContact C-O 3.59Å; V232-K611 VanDerWaalsContact C-O 3.28Å; V232-D612 VanDerWaalsContact O-CA 3.29Å; V232-D612 WeakPolarHBondContact O-CA 3.31Å; V232-L613 HydrophobicContact CB-CB 3.93Å; V232-L613 HydrophobicContact CG2-CB 4.26Å; V232-L613 PolarHBondContact O-N 3.49Å; V232-I951 HydrophobicContact CG1-CB 4.2Å; V232-I951 HydrophobicContact CG1-CD1 3.85Å; V232-I951 HydrophobicContact CG1-CG1 3.74Å; V232-I951 HydrophobicContact CG1-CG2 3.44Å; V232-I951 VanDerWaalsContact CG1-CG2 3.44Å; V232-Y1043 WeakPolarHBondContact CA-OH 3.41Å; V232-Y1043 HydrophobicContact CB-CE1 4.02Å; V232-Y1043 HydrophobicContact CG1-CD1 4.37Å; V232-Y1043 HydrophobicContact CG1-CE1 3.59Å |
| 233 | S | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.032 | C | C | . | . | B | Isolated β-bridge | trans | -144.3 | 14.8 | -173.6 | -50.2 | 0 | 0 | 0 | 0 | 114.3 | Q229 P230 G235 R236 L237 K611 D612 | Q229-S233 WeakPolarHBondContact O-CB 3.34Å; Q229-S233 PolarHBondContact O-OG 2.87Å; P230-S233 PolarHBondContact O-N 2.87Å; S233-G235 PolarHBondContact O-N 3.34Å; S233-R236 VanDerWaalsContact CA-NH1 3.34Å; S233-R236 VanDerWaalsContact CB-NH1 3.26Å; S233-R236 PolarHBondContact OG-NH1 2.91Å; S233-R236 PolarHBondContact OG-NH2 3.38Å; S233-L237 WeakPolarHBondContact O-CB 3.49Å; S233-L237 VanDerWaalsContact O-CD1 3.32Å; S233-L237 WeakPolarHBondContact O-CD1 3.45Å; S233-L237 WeakPolarHBondContact O-CG 3.35Å; S233-L237 PolarHBondContact O-N 3.06Å; S233-L237 VanDerWaalsContact O-N 3.13Å; S233-K611 PolarHBondContact N-O 3.49Å; S233-D612 VanDerWaalsContact CA-OD1 3.25Å; S233-D612 WeakPolarHBondContact CA-OD1 3.27Å |
| 234 | Q | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 6.7 Ų | 6.7 | 5% | 0.051 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -64.7 | -26.7 | -172.6 | -70.4 | -61.3 | -72.9 | 0 | 0 | 112.7 | P230 E238 L427 K611 D612 T1046 V1047 | P230-Q234 PolarHBondContact O-N 3.32Å; P230-Q234 PolarHBondContact O-NE2 2.91Å; Q234-E238 VanDerWaalsContact O-CB 3.31Å; Q234-E238 WeakPolarHBondContact O-CB 3.36Å; Q234-E238 PolarHBondContact O-N 2.89Å; Q234-L427 PolarHBondContact NE2-O 3.07Å; Q234-K611 HydrophobicContact CB-CB 4.1Å; Q234-K611 HydrophobicContact CB-CD 4.03Å; Q234-D612 PolarHBondContact N-OD1 3.06Å; Q234-T1046 VanDerWaalsContact CG-OG1 3.3Å; Q234-T1046 WeakPolarHBondContact CG-OG1 3.46Å; Q234-V1047 HydrophobicContact CG-CG1 4.17Å; Q234-V1047 HydrophobicContact CG-CG2 3.82Å |
| 235 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.6 | -58.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S233 L237 E238 A239 L608 D612 | S233-G235 PolarHBondContact O-N 3.34Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 2.78Å; G235-E238 PolarHBondContact O-N 2.97Å; G235-A239 PolarHBondContact O-N 3.41Å; G235-L608 VanDerWaalsContact CA-O 3.3Å; G235-L608 WeakPolarHBondContact CA-O 3.3Å; G235-D612 WeakPolarHBondContact CA-OD1 3.25Å; G235-D612 PolarHBondContact N-OD1 2.83Å |
| 236 | R | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 7.5 Ų | 7.5 | 2% | 0.015 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -66.7 | -30.7 | 176.4 | 70.5 | -171.7 | 173.5 | -80.5 | 7.2 | 112.9 | W221 Y225 S233 A239 L240 D612 | W221-R236 HydrophobicContact CZ3-CB 4.29Å; Y225-R236 PolarHBondContact O-NE 2.86Å; Y225-R236 VanDerWaalsContact O-NE 3.09Å; Y225-R236 PolarHBondContact O-NH2 3.41Å; S233-R236 VanDerWaalsContact CA-NH1 3.34Å; S233-R236 VanDerWaalsContact CB-NH1 3.26Å; S233-R236 PolarHBondContact OG-NH1 2.91Å; S233-R236 PolarHBondContact OG-NH2 3.38Å; R236-A239 PolarHBondContact O-N 2.76Å; R236-L240 WeakPolarHBondContact O-CB 3.4Å; R236-L240 WeakPolarHBondContact O-CG 3.41Å; R236-L240 PolarHBondContact O-N 3.47Å; R236-D612 WeakPolarHBondContact CB-OD2 3.43Å; R236-D612 WeakPolarHBondContact CD-OD2 3.47Å; R236-D612 WeakPolarHBondContact CG-OD2 3.29Å; R236-D612 IonicContact CZ-OD2 3.45Å; R236-D612 PolarHBondContact N-OD1 3.36Å; R236-D612 PolarHBondContact N-OD2 2.76Å; R236-D612 IonicContact NE-OD2 2.78Å; R236-D612 IonicContact NH1-OD1 2.8Å; R236-D612 IonicContact NH1-OD2 3.45Å; R236-D612 PolarHBondContact NH1-OD2 3.01Å |
| 237 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 172.7 | -72.6 | 168.7 | 0 | 0 | 0 | 111.7 | P227 P230 S233 G235 L240 L241 I415 L427 | P227-L237 HydrophobicContact CB-CD1 4.17Å; P227-L237 HydrophobicContact CB-CD2 3.87Å; P227-L237 HydrophobicContact CB-CG 3.91Å; P227-L237 HydrophobicContact CG-CD2 3.59Å; P227-L237 HydrophobicContact CG-CG 4.15Å; P230-L237 HydrophobicContact CB-CD1 3.93Å; S233-L237 WeakPolarHBondContact O-CB 3.49Å; S233-L237 VanDerWaalsContact O-CD1 3.32Å; S233-L237 WeakPolarHBondContact O-CD1 3.45Å; S233-L237 WeakPolarHBondContact O-CG 3.35Å; S233-L237 PolarHBondContact O-N 3.06Å; S233-L237 VanDerWaalsContact O-N 3.13Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 2.78Å; L237-L240 PolarHBondContact O-N 3.37Å; L237-L241 WeakPolarHBondContact O-CB 3.17Å; L237-L241 PolarHBondContact O-N 2.91Å; L237-I415 HydrophobicContact CB-CG2 4.39Å; L237-I415 HydrophobicContact CD2-CD1 3.47Å; L237-I415 VanDerWaalsContact CD2-CD1 3.47Å; L237-I415 HydrophobicContact CD2-CG1 4.1Å; L237-I415 HydrophobicContact CD2-CG2 4.03Å; L237-L427 HydrophobicContact CB-CB 3.79Å; L237-L427 HydrophobicContact CB-CD1 4.13Å; L237-L427 HydrophobicContact CD1-CB 4.27Å; L237-L427 WeakPolarHBondContact CD1-O 3.5Å |
| 238 | E | 98.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 8.2 Ų | 8.2 | 12% | 0.117 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 174.7 | -169.6 | -176 | 139.3 | 0 | 0 | 111.3 | Q234 G235 L240 L241 N242 L427 Y604 L608 K611 | Q234-E238 VanDerWaalsContact O-CB 3.31Å; Q234-E238 WeakPolarHBondContact O-CB 3.36Å; Q234-E238 PolarHBondContact O-N 2.89Å; G235-E238 PolarHBondContact O-N 2.97Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.24Å; E238-L241 PolarHBondContact O-N 2.81Å; E238-N242 VanDerWaalsContact O-CG 3.26Å; E238-N242 PolarHBondContact O-N 3.15Å; E238-N242 PolarHBondContact O-OD1 3.46Å; E238-L427 VanDerWaalsContact CA-CD1 3.45Å; E238-L427 HydrophobicContact CB-CD1 3.81Å; E238-L427 HydrophobicContact CG-CD1 4.41Å; E238-Y604 WeakPolarHBondContact OE1-CE2 3.15Å; E238-Y604 PolarHBondContact OE1-OH 3.41Å; E238-L608 HydrophobicContact CB-CD2 4.05Å; E238-L608 HydrophobicContact CG-CD2 4.16Å; E238-L608 VanDerWaalsContact OE2-CD2 3.3Å; E238-L608 WeakPolarHBondContact OE2-CD2 3.41Å; E238-K611 IonicContact OE2-NZ 3.82Å; E238-K611 PolarHBondContact OE2-NZ 2.9Å |
| 239 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.1 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W221 G235 R236 N242 F243 N456 S459 L608 | W221-A239 HydrophobicContact CH2-CB 4.36Å; W221-A239 HydrophobicContact CZ3-CB 4.35Å; G235-A239 PolarHBondContact O-N 3.41Å; R236-A239 PolarHBondContact O-N 2.76Å; A239-N242 WeakPolarHBondContact O-CB 3.4Å; A239-N242 PolarHBondContact O-N 3.08Å; A239-F243 PolarHBondContact O-N 3.39Å; A239-N456 VanDerWaalsContact C-OD1 3.29Å; A239-N456 HydrophobicContact CB-CB 4.07Å; A239-N456 VanDerWaalsContact CB-OD1 3.23Å; A239-N456 WeakPolarHBondContact CB-OD1 3.44Å; A239-S459 VanDerWaalsContact O-CB 3.3Å; A239-S459 WeakPolarHBondContact O-CB 3.43Å; A239-S459 PolarHBondContact O-OG 2.94Å; A239-L608 HydrophobicContact CB-CD1 4.22Å |
| 240 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -71.6 | -35.9 | 172.9 | -76.5 | 175.1 | 0 | 0 | 0 | 112.5 | R236 L237 E238 N242 F243 Q244 A258 I415 V452 A455 N456 | R236-L240 WeakPolarHBondContact O-CB 3.4Å; R236-L240 WeakPolarHBondContact O-CG 3.41Å; R236-L240 PolarHBondContact O-N 3.47Å; L237-L240 PolarHBondContact O-N 3.37Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.24Å; L240-N242 VanDerWaalsContact C-N 3.3Å; L240-F243 WeakPolarHBondContact O-CB 3.34Å; L240-F243 PolarHBondContact O-N 3.05Å; L240-Q244 PolarHBondContact O-N 3.36Å; L240-A258 HydrophobicContact CD1-CB 4.3Å; L240-A258 HydrophobicContact CD2-CB 4.2Å; L240-I415 HydrophobicContact CB-CG1 3.65Å; L240-I415 HydrophobicContact CD1-CD1 4.1Å; L240-I415 HydrophobicContact CD1-CG1 4.09Å; L240-V452 HydrophobicContact CD1-CG1 3.89Å; L240-V452 HydrophobicContact CD1-CG2 4.22Å; L240-V452 HydrophobicContact CD2-CB 4.49Å; L240-V452 HydrophobicContact CD2-CG1 4.04Å; L240-V452 HydrophobicContact CD2-CG2 4.39Å; L240-V452 HydrophobicContact CG-CG1 4.14Å; L240-A455 HydrophobicContact CD2-CB 3.89Å; L240-N456 WeakPolarHBondContact CG-OD1 3.48Å; L240-N456 PolarHBondContact N-OD1 3.3Å |
| 241 | L | 98 | Very high | 98.2 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 173.3 | -169.2 | 67 | 0 | 0 | 0 | 110.9 | L237 E238 Q244 Q245 I415 V417 L427 S1062 | L237-L241 WeakPolarHBondContact O-CB 3.17Å; L237-L241 PolarHBondContact O-N 2.91Å; E238-L241 PolarHBondContact O-N 2.81Å; L241-Q244 WeakPolarHBondContact O-CB 3.29Å; L241-Q244 PolarHBondContact O-N 3.46Å; L241-Q245 PolarHBondContact O-N 3.47Å; L241-I415 HydrophobicContact CB-CG2 4.31Å; L241-I415 HydrophobicContact CD1-CB 4.48Å; L241-I415 HydrophobicContact CD1-CG2 4.33Å; L241-V417 HydrophobicContact CD2-CG2 3.98Å; L241-L427 HydrophobicContact CD2-CD1 4.21Å; L241-L427 HydrophobicContact CD2-CD2 3.79Å; L241-S1062 WeakPolarHBondContact CD2-O 3.31Å |
| 242 | N | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 170.2 | -64.3 | -22.1 | 0 | 0 | 0 | 111.2 | E238 A239 L240 Q244 Q245 V246 F592 Y604 C1063 | E238-N242 VanDerWaalsContact O-CG 3.26Å; E238-N242 PolarHBondContact O-N 3.15Å; E238-N242 PolarHBondContact O-OD1 3.46Å; A239-N242 WeakPolarHBondContact O-CB 3.4Å; A239-N242 PolarHBondContact O-N 3.08Å; L240-N242 VanDerWaalsContact C-N 3.3Å; N242-Q244 VanDerWaalsContact C-N 3.34Å; N242-Q244 PolarHBondContact O-N 3.39Å; N242-Q245 PolarHBondContact O-N 3.33Å; N242-V246 WeakPolarHBondContact O-CG2 3.35Å; N242-V246 PolarHBondContact O-N 2.82Å; N242-F592 HydrophobicContact CB-CE1 4.44Å; N242-F592 HydrophobicContact CB-CZ 4.38Å; N242-Y604 PolarHBondContact ND2-OH 3.06Å; N242-C1063 PolarHBondContact OD1-SG 2.91Å; N242-C1063 VanDerWaalsContact OD1-SG 3.32Å |
| 243 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 8 Ų | 8 | 0% | 0.004 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 175.6 | -178.6 | -101.6 | 0 | 0 | 0 | 112.1 | A239 L240 V246 T247 A383 A397 F399 A455 A458 | A239-F243 PolarHBondContact O-N 3.39Å; L240-F243 WeakPolarHBondContact O-CB 3.34Å; L240-F243 PolarHBondContact O-N 3.05Å; F243-V246 PolarHBondContact O-N 3.36Å; F243-T247 PolarHBondContact O-N 3.45Å; F243-T247 PolarHBondContact O-OG1 2.9Å; F243-A383 HydrophobicContact CE2-CB 3.7Å; F243-A383 HydrophobicContact CZ-CB 4.04Å; F243-A397 HydrophobicContact CZ-CB 4.22Å; F243-F399 HydrophobicContact CE1-CB 4.26Å; F243-F399 HydrophobicContact CZ-CB 3.84Å; F243-A455 HydrophobicContact CB-CB 4.5Å; F243-A455 HydrophobicContact CD1-CB 4.01Å; F243-A455 HydrophobicContact CD2-CB 3.96Å; F243-A455 WeakPolarHBondContact CD2-O 3.29Å; F243-A455 HydrophobicContact CE1-CB 4.18Å; F243-A455 HydrophobicContact CE2-CB 4.12Å; F243-A455 HydrophobicContact CG-CB 3.89Å; F243-A455 HydrophobicContact CZ-CB 4.22Å; F243-A458 HydrophobicContact CD2-CB 4.06Å; F243-A458 HydrophobicContact CE2-CB 3.93Å |
| 244 | Q | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 172.3 | -78.9 | 173.4 | -142 | 0 | 0 | 110.8 | L240 L241 N242 V246 T247 L248 A256 I415 C1061 | L240-Q244 PolarHBondContact O-N 3.36Å; L241-Q244 WeakPolarHBondContact O-CB 3.29Å; L241-Q244 PolarHBondContact O-N 3.46Å; N242-Q244 VanDerWaalsContact C-N 3.34Å; N242-Q244 PolarHBondContact O-N 3.39Å; Q244-V246 PolarHBondContact O-N 2.93Å; Q244-T247 CarbonylContact O-C 3.55Å; Q244-T247 WeakPolarHBondContact O-CA 3.5Å; Q244-T247 WeakPolarHBondContact O-CB 3.22Å; Q244-T247 PolarHBondContact O-N 2.96Å; Q244-L248 VanDerWaalsContact O-CG 3.27Å; Q244-L248 WeakPolarHBondContact O-CG 3.5Å; Q244-L248 PolarHBondContact O-N 2.99Å; Q244-A256 HydrophobicContact CB-CB 4.19Å; Q244-A256 HydrophobicContact CG-CB 4.07Å; Q244-I415 PolarHBondContact NE2-O 2.82Å; Q244-C1061 PolarHBondContact NE2-O 3.4Å |
| 245 | Q | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 12.3 Ų | 12.3 | 12% | 0.117 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 178.7 | -171.9 | 67.8 | 53.9 | 0 | 0 | 112.8 | L241 N242 T247 L248 D249 F592 C1063 | L241-Q245 PolarHBondContact O-N 3.47Å; N242-Q245 PolarHBondContact O-N 3.33Å; Q245-T247 VanDerWaalsContact C-N 3.27Å; Q245-T247 PolarHBondContact O-N 3.09Å; Q245-L248 PolarHBondContact O-N 3.22Å; Q245-D249 PolarHBondContact NE2-OD1 3.48Å; Q245-D249 WeakPolarHBondContact O-CB 3.4Å; Q245-D249 PolarHBondContact O-N 3.39Å; Q245-F592 HydrophobicContact CB-CE2 4.18Å; Q245-F592 HydrophobicContact CB-CZ 4.09Å; Q245-F592 HydrophobicContact CG-CE2 3.7Å; Q245-F592 HydrophobicContact CG-CZ 4.13Å; Q245-C1063 HydrophobicContact CB-CB 4.44Å; Q245-C1063 WeakPolarHBondContact CB-SG 3.46Å; Q245-C1063 HydrophobicContact CG-CB 4.27Å |
| 246 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | N242 F243 Q244 L250 I362 F386 A462 L587 F592 | N242-V246 WeakPolarHBondContact O-CG2 3.35Å; N242-V246 PolarHBondContact O-N 2.82Å; F243-V246 PolarHBondContact O-N 3.36Å; Q244-V246 PolarHBondContact O-N 2.93Å; V246-L250 HydrophobicContact CG1-CD1 3.77Å; V246-L250 HydrophobicContact CG1-CG 4.44Å; V246-L250 WeakPolarHBondContact O-CB 3.48Å; V246-L250 VanDerWaalsContact O-CG 3.27Å; V246-L250 WeakPolarHBondContact O-CG 3.29Å; V246-L250 PolarHBondContact O-N 3.07Å; V246-I362 HydrophobicContact CG1-CD1 4.37Å; V246-F386 HydrophobicContact CG1-CD2 4.24Å; V246-F386 HydrophobicContact CG1-CE2 3.75Å; V246-A462 HydrophobicContact CG1-CB 4.36Å; V246-A462 HydrophobicContact CG2-CB 3.57Å; V246-L587 HydrophobicContact CB-CD2 4.29Å; V246-L587 HydrophobicContact CG2-CD2 3.9Å; V246-F592 HydrophobicContact CG2-CD1 4.39Å; V246-F592 HydrophobicContact CG2-CE1 3.44Å; V246-F592 VanDerWaalsContact CG2-CE1 3.44Å; V246-F592 HydrophobicContact CG2-CZ 3.63Å |
| 247 | T | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | F243 Q244 Q245 L250 T251 A256 F399 A401 | F243-T247 PolarHBondContact O-N 3.45Å; F243-T247 PolarHBondContact O-OG1 2.9Å; Q244-T247 CarbonylContact O-C 3.55Å; Q244-T247 WeakPolarHBondContact O-CA 3.5Å; Q244-T247 WeakPolarHBondContact O-CB 3.22Å; Q244-T247 PolarHBondContact O-N 2.96Å; Q245-T247 VanDerWaalsContact C-N 3.27Å; Q245-T247 PolarHBondContact O-N 3.09Å; T247-L250 PolarHBondContact O-N 3.2Å; T247-T251 HydrophobicContact CG2-CG2 4.06Å; T247-T251 VanDerWaalsContact O-CB 3.28Å; T247-T251 WeakPolarHBondContact O-CB 3.45Å; T247-T251 WeakPolarHBondContact O-CG2 3.32Å; T247-T251 PolarHBondContact O-N 3.16Å; T247-T251 PolarHBondContact O-OG1 3.03Å; T247-A256 HydrophobicContact CG2-CB 3.81Å; T247-F399 HydrophobicContact CG2-CB 3.89Å; T247-F399 HydrophobicContact CG2-CD2 3.75Å; T247-F399 HydrophobicContact CG2-CG 4.21Å; T247-A401 HydrophobicContact CG2-CB 3.83Å |
| 248 | L | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 12.1 Ų | 12.1 | 8% | 0.084 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.4 | -52.4 | 178.3 | -64.2 | 175 | 0 | 0 | 0 | 111.2 | Q244 Q245 L250 T251 G252 L253 D254 M255 A256 | Q244-L248 VanDerWaalsContact O-CG 3.27Å; Q244-L248 WeakPolarHBondContact O-CG 3.5Å; Q244-L248 PolarHBondContact O-N 2.99Å; Q245-L248 PolarHBondContact O-N 3.22Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.67Å; L248-T251 PolarHBondContact O-N 3Å; L248-G252 WeakPolarHBondContact O-CA 3.34Å; L248-G252 PolarHBondContact O-N 3.34Å; L248-L253 VanDerWaalsContact CD2-O 3.27Å; L248-L253 WeakPolarHBondContact CD2-O 3.43Å; L248-D254 WeakPolarHBondContact CD2-O 3.21Å; L248-M255 VanDerWaalsContact CD2-C 3.44Å; L248-M255 VanDerWaalsContact CD2-CA 3.47Å; L248-M255 VanDerWaalsContact CD2-N 3.26Å; L248-A256 HydrophobicContact CD2-CB 4.06Å; L248-A256 HydrophobicContact CG-CB 4.29Å |
| 249 | D | 98.3 | Very high | 98 | Very high | 29 Ų | 29 | 10.9 Ų | 10.9 | 16% | 0.155 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | -178.6 | -75.2 | 4.1 | 0 | 0 | 0 | 111 | Q245 R582 L587 | Q245-D249 PolarHBondContact NE2-OD1 3.48Å; Q245-D249 WeakPolarHBondContact O-CB 3.4Å; Q245-D249 PolarHBondContact O-N 3.39Å; D249-R582 PolarHBondContact O-NH2 3.3Å; D249-L587 HydrophobicContact CB-CD2 4.06Å; D249-L587 WeakPolarHBondContact OD2-CA 3.45Å; D249-L587 PolarHBondContact OD2-N 2.74Å |
| 250 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -77 | -38.4 | -177.3 | -68 | 179.1 | 0 | 0 | 0 | 113.1 | V246 T247 L248 I362 L365 V366 A370 F386 R582 I586 | V246-L250 HydrophobicContact CG1-CD1 3.77Å; V246-L250 HydrophobicContact CG1-CG 4.44Å; V246-L250 WeakPolarHBondContact O-CB 3.48Å; V246-L250 VanDerWaalsContact O-CG 3.27Å; V246-L250 WeakPolarHBondContact O-CG 3.29Å; V246-L250 PolarHBondContact O-N 3.07Å; T247-L250 PolarHBondContact O-N 3.2Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.67Å; L250-I362 HydrophobicContact CD1-CD1 4.33Å; L250-I362 HydrophobicContact CD1-CG1 3.59Å; L250-L365 HydrophobicContact CB-CB 4.04Å; L250-L365 HydrophobicContact CB-CD1 4.08Å; L250-L365 HydrophobicContact CD2-CB 4.43Å; L250-V366 HydrophobicContact CD2-CG2 4.26Å; L250-A370 WeakPolarHBondContact O-CB 3.33Å; L250-F386 HydrophobicContact CD1-CE2 3.81Å; L250-F386 HydrophobicContact CD1-CZ 3.78Å; L250-R582 PolarHBondContact O-NH1 3.22Å; L250-I586 HydrophobicContact CD2-CB 4.42Å; L250-I586 HydrophobicContact CD2-CD1 3.9Å; L250-I586 HydrophobicContact CD2-CG2 4.29Å |
| 251 | T | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -87.1 | -20.4 | -176 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | T247 L248 L253 L365 G372 V379 F399 A401 | T247-T251 HydrophobicContact CG2-CG2 4.06Å; T247-T251 VanDerWaalsContact O-CB 3.28Å; T247-T251 WeakPolarHBondContact O-CB 3.45Å; T247-T251 WeakPolarHBondContact O-CG2 3.32Å; T247-T251 PolarHBondContact O-N 3.16Å; T247-T251 PolarHBondContact O-OG1 3.03Å; L248-T251 PolarHBondContact O-N 3Å; T251-L253 VanDerWaalsContact C-N 3.34Å; T251-L365 HydrophobicContact CG2-CD1 4.09Å; T251-G372 WeakPolarHBondContact O-CA 3.32Å; T251-G372 PolarHBondContact O-N 3.28Å; T251-V379 HydrophobicContact CG2-CB 3.93Å; T251-V379 HydrophobicContact CG2-CG1 3.58Å; T251-F399 HydrophobicContact CG2-CD2 4.15Å; T251-F399 HydrophobicContact CG2-CE2 3.79Å; T251-A401 HydrophobicContact CG2-CB 4.46Å |
| 252 | G | 97.9 | Very high | 98.1 | Very high | 36 Ų | 36 | 11.9 Ų | 11.9 | 37% | 0.371 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 28 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L248 | L248-G252 WeakPolarHBondContact O-CA 3.34Å; L248-G252 PolarHBondContact O-N 3.34Å |
| 253 | L | 98 | Very high | 98.1 | Very high | 12 Ų | 12 | 12.5 Ų | 12.5 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | trans | -111.8 | 171.7 | 177.9 | -70.5 | -177.6 | 0 | 0 | 0 | 111.6 | L248 T251 V379 A401 K403 | L248-L253 VanDerWaalsContact CD2-O 3.27Å; L248-L253 WeakPolarHBondContact CD2-O 3.43Å; T251-L253 VanDerWaalsContact C-N 3.34Å; L253-V379 HydrophobicContact CD1-CB 3.87Å; L253-V379 HydrophobicContact CD1-CG2 3.57Å; L253-V379 HydrophobicContact CG-CG2 4.23Å; L253-A401 HydrophobicContact CB-CB 4.02Å; L253-A401 HydrophobicContact CD1-CB 3.92Å; L253-A401 WeakPolarHBondContact CD1-O 3.34Å; L253-K403 HydrophobicContact CD2-CG 4.06Å | ||
| 254 | D | 96.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 12.5 Ų | 12.5 | 52% | 0.519 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -91.7 | -26.2 | -167.3 | -46.7 | -53.3 | 0 | 0 | 0 | 114.1 | L248 A402 K403 D404 | L248-D254 WeakPolarHBondContact CD2-O 3.21Å; D254-A402 PolarHBondContact N-O 2.98Å; D254-K403 VanDerWaalsContact OD2-CA 3.31Å; D254-K403 WeakPolarHBondContact OD2-CA 3.26Å; D254-D404 HydrophobicContact CB-CB 3.88Å; D254-D404 PolarHBondContact OD2-N 3.47Å |
| 255 | M | 95.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.6 | -176.1 | -73.2 | -162.2 | 61.4 | 0 | 0 | 112.4 | L248 A401 A402 K407 I414 L1059 C1061 | L248-M255 VanDerWaalsContact CD2-C 3.44Å; L248-M255 VanDerWaalsContact CD2-CA 3.47Å; L248-M255 VanDerWaalsContact CD2-N 3.26Å; M255-A401 CarbonylContact O-C 3.56Å; M255-A401 WeakPolarHBondContact O-CA 3.44Å; M255-A401 VanDerWaalsContact O-CB 3.27Å; M255-A401 WeakPolarHBondContact O-CB 3.38Å; M255-A402 PolarHBondContact N-O 3.47Å; M255-A402 PolarHBondContact O-N 3.49Å; M255-K407 HydrophobicContact CE-CB 3.96Å; M255-K407 HydrophobicContact SD-CB 3.25Å; M255-K407 WeakPolarHBondContact SD-CB 3.4Å; M255-K407 HydrophobicContact SD-CD 4.06Å; M255-K407 HydrophobicContact SD-CG 4.33Å; M255-I414 HydrophobicContact CE-CD1 3.82Å; M255-I414 HydrophobicContact CE-CG2 4.18Å; M255-L1059 HydrophobicContact CE-CD2 3.84Å; M255-L1059 HydrophobicContact SD-CD2 4.07Å; M255-C1061 HydrophobicContact CE-CB 4.49Å |
| 256 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q244 T247 L248 F400 A401 | Q244-A256 HydrophobicContact CB-CB 4.19Å; Q244-A256 HydrophobicContact CG-CB 4.07Å; T247-A256 HydrophobicContact CG2-CB 3.81Å; L248-A256 HydrophobicContact CD2-CB 4.06Å; L248-A256 HydrophobicContact CG-CB 4.29Å; A256-F400 CarbonylContact C-O 3.47Å; A256-F400 VanDerWaalsContact CA-O 3.27Å; A256-F400 WeakPolarHBondContact CA-O 3.49Å; A256-A401 HydrophobicContact CB-CB 4.26Å |
| 257 | S | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -83.6 | 161.2 | 171.8 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | S259 F400 R413 | S257-S259 PolarHBondContact O-N 2.89Å; S257-S259 VanDerWaalsContact O-N 3.1Å; S257-F400 PolarHBondContact N-O 3.34Å; S257-R413 CarbonylContact C-O 3.59Å; S257-R413 WeakPolarHBondContact CA-O 3.3Å | ||
| 258 | A | 97.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -86.8 | 47.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L240 R413 I415 | L240-A258 HydrophobicContact CD1-CB 4.3Å; L240-A258 HydrophobicContact CD2-CB 4.2Å; A258-R413 HydrophobicContact CB-CB 4.15Å; A258-R413 PolarHBondContact N-O 2.79Å; A258-I415 HydrophobicContact CB-CD1 4.22Å; A258-I415 HydrophobicContact CB-CG1 4.02Å |
| 259 | S | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | 81.8 | 148.2 | -174.2 | 74.1 | 0 | 0 | 0 | 0 | 118 | S257 A398 S450 Q451 | S257-S259 PolarHBondContact O-N 2.89Å; S257-S259 VanDerWaalsContact O-N 3.1Å; S259-A398 WeakPolarHBondContact CA-O 3.41Å; S259-S450 PolarHBondContact OG-OG 3.18Å; S259-Q451 PolarHBondContact OG-N 3.32Å | ||
| 260 | L | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | -173.9 | 161.1 | -57.5 | -178.5 | 0 | 0 | 0 | 110.1 | A266 E269 A398 F400 P411 I447 Q451 | L260-A266 HydrophobicContact CB-CB 4.48Å; L260-A266 HydrophobicContact CD1-CB 3.82Å; L260-E269 HydrophobicContact CD1-CB 4.27Å; L260-E269 HydrophobicContact CD1-CG 4.32Å; L260-A398 HydrophobicContact CB-CB 4.11Å; L260-A398 PolarHBondContact N-O 2.96Å; L260-A398 PolarHBondContact O-N 3.45Å; L260-F400 HydrophobicContact CD1-CB 3.79Å; L260-F400 HydrophobicContact CD1-CD2 3.56Å; L260-F400 HydrophobicContact CD1-CE2 4.33Å; L260-F400 HydrophobicContact CD1-CG 3.84Å; L260-F400 HydrophobicContact CG-CB 4.2Å; L260-P411 HydrophobicContact CD1-CG 4.03Å; L260-P411 HydrophobicContact CD2-CB 4.2Å; L260-P411 HydrophobicContact CD2-CG 4.18Å; L260-I447 HydrophobicContact CB-CD1 4.44Å; L260-I447 HydrophobicContact CD2-CD1 3.83Å; L260-Q451 VanDerWaalsContact O-CG 3.29Å; L260-Q451 WeakPolarHBondContact O-CG 3.35Å |
| 261 | L | 98.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 10.2 Ų | 10.2 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -78.8 | -45.2 | -168 | -63.5 | 174 | 0 | 0 | 0 | 115 | I447 T449 Q451 S684 Q687 | L261-I447 HydrophobicContact CD2-CD1 4.31Å; L261-I447 HydrophobicContact CG-CD1 3.9Å; L261-I447 HydrophobicContact CG-CG1 4.35Å; L261-T449 WeakPolarHBondContact CD2-O 3.23Å; L261-Q451 PolarHBondContact O-NE2 3.33Å; L261-Q451 VanDerWaalsContact O-NE2 3.1Å; L261-S684 WeakPolarHBondContact CD1-OG 3.28Å; L261-Q687 HydrophobicContact CD1-CG 3.39Å |
| 262 | D | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 10.4 Ų | 10.4 | 6% | 0.064 | 6% | 0.064 | C | C | . | . | trans | -163.1 | 172.7 | 176.6 | 58.9 | 40.7 | 0 | 0 | 0 | 109.8 | A264 T265 A266 A398 N683 A867 | D262-A264 VanDerWaalsContact C-N 3.33Å; D262-A264 PolarHBondContact O-N 3.12Å; D262-A264 PolarHBondContact OD1-N 3.1Å; D262-T265 PolarHBondContact N-OG1 3.46Å; D262-T265 VanDerWaalsContact N-OG1 3.14Å; D262-T265 PolarHBondContact O-OG1 2.96Å; D262-T265 VanDerWaalsContact OD1-CB 3.31Å; D262-T265 WeakPolarHBondContact OD1-CB 3.5Å; D262-T265 VanDerWaalsContact OD1-CG2 3.29Å; D262-T265 WeakPolarHBondContact OD1-CG2 3.25Å; D262-T265 PolarHBondContact OD1-N 3.18Å; D262-T265 PolarHBondContact OD1-OG1 2.86Å; D262-A266 WeakPolarHBondContact O-CB 3.23Å; D262-A266 PolarHBondContact O-N 2.83Å; D262-A398 VanDerWaalsContact O-CB 3.28Å; D262-A398 WeakPolarHBondContact O-CB 3.43Å; D262-N683 PolarHBondContact OD2-ND2 3.47Å; D262-A867 HydrophobicContact CB-CB 3.89Å; D262-A867 PolarHBondContact OD2-N 2.78Å | ||
| 263 | E | 98.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 8.7 Ų | 8.7 | 8% | 0.079 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | -177.9 | 178.8 | 172.5 | 141.7 | 0 | 0 | 113 | A266 A267 H293 Q331 F380 S382 | E263-A266 WeakPolarHBondContact O-CB 3.2Å; E263-A266 PolarHBondContact O-N 3.26Å; E263-A267 PolarHBondContact O-N 3.35Å; E263-H293 IonicContact OE1-CD2 3.7Å; E263-H293 PolarHBondContact OE1-CD2 3.28Å; E263-Q331 PolarHBondContact OE1-NE2 3.1Å; E263-F380 HydrophobicContact CG-CD2 4.3Å; E263-F380 HydrophobicContact CG-CE2 4.15Å; E263-S382 PolarHBondContact OE2-N 3.1Å |
| 264 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -70.4 | -41.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | D262 A267 A268 V299 A867 | D262-A264 VanDerWaalsContact C-N 3.33Å; D262-A264 PolarHBondContact O-N 3.12Å; D262-A264 PolarHBondContact OD1-N 3.1Å; A264-A267 WeakPolarHBondContact O-CB 3.45Å; A264-A267 PolarHBondContact O-N 3.45Å; A264-A268 PolarHBondContact O-N 3.28Å; A264-A268 VanDerWaalsContact O-N 3.1Å; A264-V299 HydrophobicContact CB-CB 3.81Å; A264-V299 HydrophobicContact CB-CG1 4.34Å; A264-V299 HydrophobicContact CB-CG2 3.59Å; A264-A867 HydrophobicContact CB-CB 3.59Å |
| 265 | T | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 6.1 Ų | 6.1 | 4% | 0.043 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -68 | -36.7 | 172.2 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | D262 A267 A268 E269 V299 V865 | D262-T265 PolarHBondContact N-OG1 3.46Å; D262-T265 VanDerWaalsContact N-OG1 3.14Å; D262-T265 PolarHBondContact O-OG1 2.96Å; D262-T265 VanDerWaalsContact OD1-CB 3.31Å; D262-T265 WeakPolarHBondContact OD1-CB 3.5Å; D262-T265 VanDerWaalsContact OD1-CG2 3.29Å; D262-T265 WeakPolarHBondContact OD1-CG2 3.25Å; D262-T265 PolarHBondContact OD1-N 3.18Å; D262-T265 PolarHBondContact OD1-OG1 2.86Å; T265-A267 VanDerWaalsContact C-N 3.31Å; T265-A267 PolarHBondContact O-N 3.36Å; T265-A268 PolarHBondContact O-N 3.36Å; T265-E269 WeakPolarHBondContact O-CG 3.44Å; T265-E269 PolarHBondContact O-N 2.98Å; T265-V299 HydrophobicContact CG2-CG1 4.33Å; T265-V865 VanDerWaalsContact CG2-O 3.31Å; T265-V865 WeakPolarHBondContact CG2-O 3.3Å |
| 266 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | L260 D262 E263 E269 A270 F380 A398 F400 | L260-A266 HydrophobicContact CB-CB 4.48Å; L260-A266 HydrophobicContact CD1-CB 3.82Å; D262-A266 WeakPolarHBondContact O-CB 3.23Å; D262-A266 PolarHBondContact O-N 2.83Å; E263-A266 WeakPolarHBondContact O-CB 3.2Å; E263-A266 PolarHBondContact O-N 3.26Å; A266-E269 PolarHBondContact O-N 2.68Å; A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 2.82Å; A266-F380 HydrophobicContact CB-CB 4.13Å; A266-F380 HydrophobicContact CB-CD2 3.85Å; A266-F380 HydrophobicContact CB-CG 4.17Å; A266-A398 HydrophobicContact CB-CB 4.06Å; A266-F400 HydrophobicContact CB-CD2 4.26Å; A266-F400 WeakPolarHBondContact O-CE2 3.46Å |
| 267 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E263 A264 T265 E269 A270 M271 T296 V300 L329 F380 | E263-A267 PolarHBondContact O-N 3.35Å; A264-A267 WeakPolarHBondContact O-CB 3.45Å; A264-A267 PolarHBondContact O-N 3.45Å; T265-A267 VanDerWaalsContact C-N 3.31Å; T265-A267 PolarHBondContact O-N 3.36Å; A267-E269 VanDerWaalsContact C-N 3.31Å; A267-E269 PolarHBondContact O-N 3.46Å; A267-A270 WeakPolarHBondContact O-CB 3.41Å; A267-A270 PolarHBondContact O-N 3.48Å; A267-M271 PolarHBondContact O-N 2.87Å; A267-T296 HydrophobicContact CB-CG2 3.45Å; A267-T296 VanDerWaalsContact CB-CG2 3.45Å; A267-V300 HydrophobicContact CB-CG2 3.62Å; A267-L329 HydrophobicContact CB-CD2 4.03Å; A267-F380 HydrophobicContact CB-CE1 4.29Å; A267-F380 HydrophobicContact CB-CE2 3.47Å; A267-F380 VanDerWaalsContact CB-CE2 3.47Å; A267-F380 HydrophobicContact CB-CZ 3.32Å |
| 268 | A | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.025 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A264 T265 M271 A272 V299 R303 | A264-A268 PolarHBondContact O-N 3.28Å; A264-A268 VanDerWaalsContact O-N 3.1Å; T265-A268 PolarHBondContact O-N 3.36Å; A268-M271 PolarHBondContact O-N 2.61Å; A268-A272 PolarHBondContact O-N 3.16Å; A268-V299 HydrophobicContact CB-CG1 4.18Å; A268-R303 HydrophobicContact CB-CB 3.87Å; A268-R303 HydrophobicContact CB-CG 4.03Å |
| 269 | E | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 7% | 0.07 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 172.3 | -71.7 | -65.4 | 172.4 | 0 | 0 | 112.4 | L260 T265 A266 A267 M271 A272 M273 F400 P411 S445 | L260-E269 HydrophobicContact CD1-CB 4.27Å; L260-E269 HydrophobicContact CD1-CG 4.32Å; T265-E269 WeakPolarHBondContact O-CG 3.44Å; T265-E269 PolarHBondContact O-N 2.98Å; A266-E269 PolarHBondContact O-N 2.68Å; A267-E269 VanDerWaalsContact C-N 3.31Å; A267-E269 PolarHBondContact O-N 3.46Å; E269-M271 VanDerWaalsContact C-N 3.35Å; E269-M271 PolarHBondContact O-N 3.03Å; E269-A272 PolarHBondContact O-N 3.13Å; E269-M273 WeakPolarHBondContact O-CB 3.34Å; E269-M273 PolarHBondContact O-N 2.96Å; E269-F400 HydrophobicContact CB-CE2 4.27Å; E269-P411 HydrophobicContact CB-CB 4.29Å; E269-P411 HydrophobicContact CB-CG 4.05Å; E269-P411 HydrophobicContact CG-CB 4.19Å; E269-P411 HydrophobicContact CG-CG 4.42Å; E269-S445 WeakPolarHBondContact OE1-CB 3.4Å; E269-S445 PolarHBondContact OE1-OG 2.84Å |
| 270 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A266 A267 M273 A274 I378 F380 F400 | A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 2.82Å; A267-A270 WeakPolarHBondContact O-CB 3.41Å; A267-A270 PolarHBondContact O-N 3.48Å; A270-M273 PolarHBondContact O-N 3.02Å; A270-A274 VanDerWaalsContact O-CB 3.26Å; A270-A274 WeakPolarHBondContact O-CB 3.37Å; A270-A274 PolarHBondContact O-N 3.11Å; A270-I378 HydrophobicContact CB-CG2 3.96Å; A270-F380 HydrophobicContact CB-CD1 3.86Å; A270-F380 HydrophobicContact CB-CE1 3.72Å; A270-F400 HydrophobicContact CB-CE2 3.84Å; A270-F400 HydrophobicContact CB-CZ 4.28Å |
| 271 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.8 | 176.1 | -178.1 | 67.7 | 0 | 0 | 111.9 | A267 A268 E269 M273 A274 K275 F286 V300 R303 A304 F307 F309 F326 | A267-M271 PolarHBondContact O-N 2.87Å; A268-M271 PolarHBondContact O-N 2.61Å; E269-M271 VanDerWaalsContact C-N 3.35Å; E269-M271 PolarHBondContact O-N 3.03Å; M271-M273 VanDerWaalsContact C-N 3.35Å; M271-M273 PolarHBondContact O-N 2.8Å; M271-A274 WeakPolarHBondContact O-CB 3.27Å; M271-A274 PolarHBondContact O-N 3.49Å; M271-K275 PolarHBondContact O-N 2.8Å; M271-K275 VanDerWaalsContact O-N 3.07Å; M271-F286 HydrophobicContact CB-CD1 4.12Å; M271-F286 HydrophobicContact CB-CD2 4.27Å; M271-F286 HydrophobicContact CB-CE1 3.76Å; M271-F286 HydrophobicContact CB-CE2 3.93Å; M271-F286 HydrophobicContact CB-CG 4.36Å; M271-F286 HydrophobicContact CB-CZ 3.66Å; M271-F286 HydrophobicContact CG-CB 4.25Å; M271-F286 HydrophobicContact CG-CD1 3.7Å; M271-F286 HydrophobicContact CG-CD2 3.75Å; M271-F286 HydrophobicContact CG-CE1 3.89Å; M271-F286 HydrophobicContact CG-CE2 3.94Å; M271-F286 HydrophobicContact CG-CG 3.63Å; M271-F286 HydrophobicContact CG-CZ 4.01Å; M271-F286 HydrophobicContact SD-CB 4.17Å; M271-F286 HydrophobicContact SD-CD1 3.66Å; M271-F286 HydrophobicContact SD-CE1 4.18Å; M271-F286 HydrophobicContact SD-CG 3.91Å; M271-V300 HydrophobicContact CE-CG1 4.4Å; M271-V300 HydrophobicContact SD-CG1 3.9Å; M271-R303 HydrophobicContact CE-CB 4Å; M271-R303 HydrophobicContact CE-CG 4.24Å; M271-A304 HydrophobicContact CE-CB 3.77Å; M271-A304 HydrophobicContact SD-CB 3.79Å; M271-F307 HydrophobicContact CE-CD2 4.49Å; M271-F309 HydrophobicContact CE-CD2 4.19Å; M271-F309 HydrophobicContact CG-CD2 4.12Å; M271-F309 HydrophobicContact CG-CE2 4.42Å; M271-F309 HydrophobicContact SD-CD2 4Å; M271-F326 HydrophobicContact CG-CE2 4.38Å; M271-F326 HydrophobicContact CG-CZ 4.19Å |
| 272 | A | 97.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A268 E269 K275 R276 F307 | A268-A272 PolarHBondContact O-N 3.16Å; E269-A272 PolarHBondContact O-N 3.13Å; A272-K275 PolarHBondContact O-N 2.95Å; A272-R276 WeakPolarHBondContact O-CG 3.41Å; A272-R276 PolarHBondContact O-N 2.95Å; A272-R276 VanDerWaalsContact O-N 3.09Å; A272-F307 HydrophobicContact CB-CE2 3.86Å; A272-F307 HydrophobicContact CB-CZ 4.33Å |
| 273 | M | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.1 | -176.7 | 170.5 | 173.3 | 0 | 0 | 111.8 | E269 A270 M271 K275 R276 V277 I378 F400 A402 Y406 M410 | E269-M273 WeakPolarHBondContact O-CB 3.34Å; E269-M273 PolarHBondContact O-N 2.96Å; A270-M273 PolarHBondContact O-N 3.02Å; M271-M273 VanDerWaalsContact C-N 3.35Å; M271-M273 PolarHBondContact O-N 2.8Å; M273-K275 VanDerWaalsContact C-N 3.3Å; M273-K275 PolarHBondContact O-N 2.78Å; M273-R276 PolarHBondContact O-N 2.84Å; M273-R276 VanDerWaalsContact O-N 3.1Å; M273-V277 HydrophobicContact CG-CG1 4.45Å; M273-V277 WeakPolarHBondContact O-CG2 3.42Å; M273-V277 PolarHBondContact O-N 2.88Å; M273-I378 HydrophobicContact CB-CD1 4.16Å; M273-I378 HydrophobicContact CE-CD1 4.5Å; M273-I378 HydrophobicContact CG-CD1 3.97Å; M273-I378 HydrophobicContact SD-CD1 3.98Å; M273-F400 HydrophobicContact SD-CE1 3.63Å; M273-F400 HydrophobicContact SD-CZ 3.71Å; M273-A402 HydrophobicContact CE-CB 3.6Å; M273-Y406 HydrophobicContact CE-CD2 4.45Å; M273-Y406 HydrophobicContact CE-CG 4.16Å; M273-M410 HydrophobicContact CE-CG 4.2Å; M273-M410 HydrophobicContact CE-SD 3.8Å; M273-M410 HydrophobicContact SD-SD 4.24Å |
| 274 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.8 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | A270 M271 S278 F286 F326 V355 | A270-A274 VanDerWaalsContact O-CB 3.26Å; A270-A274 WeakPolarHBondContact O-CB 3.37Å; A270-A274 PolarHBondContact O-N 3.11Å; M271-A274 WeakPolarHBondContact O-CB 3.27Å; M271-A274 PolarHBondContact O-N 3.49Å; A274-S278 VanDerWaalsContact O-CB 3.24Å; A274-S278 WeakPolarHBondContact O-CB 3.26Å; A274-S278 PolarHBondContact O-N 3.27Å; A274-F286 HydrophobicContact CB-CE2 4.37Å; A274-F326 HydrophobicContact CB-CD2 4.21Å; A274-F326 HydrophobicContact CB-CE2 4.2Å; A274-V355 HydrophobicContact CB-CB 3.9Å; A274-V355 HydrophobicContact CB-CG1 3.84Å |
| 275 | K | 97.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.3 | -177 | 72.7 | 179.1 | -162.2 | 0 | 112 | M271 A272 M273 V277 S278 A283 F309 F326 | M271-K275 PolarHBondContact O-N 2.8Å; M271-K275 VanDerWaalsContact O-N 3.07Å; A272-K275 PolarHBondContact O-N 2.95Å; M273-K275 VanDerWaalsContact C-N 3.3Å; M273-K275 PolarHBondContact O-N 2.78Å; K275-V277 VanDerWaalsContact C-N 3.34Å; K275-V277 PolarHBondContact O-N 3.03Å; K275-S278 PolarHBondContact O-N 3.2Å; K275-A283 PolarHBondContact NZ-O 3.47Å; K275-F309 HydrophobicContact CB-CE2 4.13Å; K275-F309 HydrophobicContact CB-CZ 3.8Å; K275-F309 HydrophobicContact CD-CE1 3.95Å; K275-F309 HydrophobicContact CD-CZ 4.08Å; K275-F309 HydrophobicContact CG-CE1 3.89Å; K275-F309 HydrophobicContact CG-CE2 4.35Å; K275-F309 HydrophobicContact CG-CZ 3.55Å; K275-F326 HydrophobicContact CB-CD2 3.99Å; K275-F326 HydrophobicContact CB-CE2 3.72Å; K275-F326 HydrophobicContact CB-CZ 4.15Å; K275-F326 HydrophobicContact CD-CD1 3.97Å; K275-F326 HydrophobicContact CD-CD2 4.21Å; K275-F326 HydrophobicContact CD-CE1 4.12Å; K275-F326 HydrophobicContact CD-CE2 4.35Å; K275-F326 HydrophobicContact CD-CG 4.02Å; K275-F326 HydrophobicContact CD-CZ 4.3Å |
| 276 | R | 95.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.3 | -41.6 | -178.8 | -71.4 | -172.8 | -62.3 | -97.4 | 7.2 | 112.3 | A272 M273 S409 N444 | A272-R276 WeakPolarHBondContact O-CG 3.41Å; A272-R276 PolarHBondContact O-N 2.95Å; A272-R276 VanDerWaalsContact O-N 3.09Å; M273-R276 PolarHBondContact O-N 2.84Å; M273-R276 VanDerWaalsContact O-N 3.1Å; R276-S409 PolarHBondContact NH2-O 3.14Å; R276-N444 VanDerWaalsContact CZ-O 3.31Å; R276-N444 PolarHBondContact NH1-O 2.77Å; R276-N444 PolarHBondContact NH2-O 3.39Å |
| 277 | V | 96.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -89.5 | -14 | -176.4 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | M273 K275 K279 V355 Y406 S409 | M273-V277 HydrophobicContact CG-CG1 4.45Å; M273-V277 WeakPolarHBondContact O-CG2 3.42Å; M273-V277 PolarHBondContact O-N 2.88Å; K275-V277 VanDerWaalsContact C-N 3.34Å; K275-V277 PolarHBondContact O-N 3.03Å; V277-K279 PolarHBondContact O-N 3.48Å; V277-V355 HydrophobicContact CG2-CG1 4.31Å; V277-V355 HydrophobicContact CG2-CG2 3.86Å; V277-Y406 HydrophobicContact CB-CD1 3.57Å; V277-Y406 HydrophobicContact CB-CE1 3.71Å; V277-Y406 HydrophobicContact CB-CG 4.38Å; V277-Y406 HydrophobicContact CG1-CD1 3.58Å; V277-Y406 HydrophobicContact CG1-CE1 4.25Å; V277-Y406 HydrophobicContact CG1-CG 4.09Å; V277-Y406 HydrophobicContact CG2-CD1 3.78Å; V277-Y406 HydrophobicContact CG2-CE1 3.66Å; V277-Y406 HydrophobicContact CG2-CG 4.31Å; V277-S409 WeakPolarHBondContact CG1-OG 3.09Å |
| 278 | S | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | trans | -57.1 | 137.1 | -176.7 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | A274 K275 L280 K281 | A274-S278 VanDerWaalsContact O-CB 3.24Å; A274-S278 WeakPolarHBondContact O-CB 3.26Å; A274-S278 PolarHBondContact O-N 3.27Å; K275-S278 PolarHBondContact O-N 3.2Å; S278-L280 VanDerWaalsContact C-N 3.31Å; S278-L280 PolarHBondContact OG-N 3.47Å; S278-L280 VanDerWaalsContact OG-N 3.1Å; S278-K281 PolarHBondContact O-NZ 2.75Å | ||
| 279 | K | 95.5 | Very high | 97.1 | Very high | 150 Ų | 150 | 39.8 Ų | 39.8 | 65% | 0.652 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -82.4 | -13.8 | 172.1 | -64.4 | 177.5 | -175.9 | 169.7 | 0 | 111.6 | V277 K281 K353 | V277-K279 PolarHBondContact O-N 3.48Å; K279-K281 PolarHBondContact O-N 2.78Å; K279-K353 HydrophobicContact CB-CD 4.47Å |
| 280 | L | 95.6 | Very high | 97 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | trans | -89.6 | 77.9 | 178.4 | -57.4 | 176.2 | 0 | 0 | 0 | 109.7 | S278 N282 A283 V325 K353 I354 | S278-L280 VanDerWaalsContact C-N 3.31Å; S278-L280 PolarHBondContact OG-N 3.47Å; S278-L280 VanDerWaalsContact OG-N 3.1Å; L280-N282 PolarHBondContact O-N 3.32Å; L280-N282 VanDerWaalsContact O-N 3.11Å; L280-A283 HydrophobicContact CB-CB 3.63Å; L280-A283 HydrophobicContact CD1-CB 4.44Å; L280-A283 WeakPolarHBondContact O-CB 3.46Å; L280-A283 PolarHBondContact O-N 3.49Å; L280-V325 WeakPolarHBondContact CD1-O 3.39Å; L280-K353 HydrophobicContact CD2-CB 4.45Å; L280-K353 HydrophobicContact CG-CB 4.48Å; L280-I354 HydrophobicContact CD1-CG1 4.26Å | ||
| 281 | K | 90 | Very high | 97 | Very high | 151 Ų | 151 | 43.7 Ų | 43.7 | 66% | 0.657 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.9 | -168.8 | -61.8 | -53.8 | -175 | -168.1 | 0 | 115.2 | S278 K279 | S278-K281 PolarHBondContact O-NZ 2.75Å; K279-K281 PolarHBondContact O-N 2.78Å |
| 282 | N | 93.2 | Very high | 97 | Very high | 155 Ų | 155 | 44 Ų | 44 | 83% | 0.829 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -7.6 | -179.8 | -59.9 | -19.2 | 0 | 0 | 0 | 113.5 | L280 N284 | L280-N282 PolarHBondContact O-N 3.32Å; L280-N282 VanDerWaalsContact O-N 3.11Å; N282-N284 PolarHBondContact O-N 3.19Å |
| 283 | A | 96.8 | Very high | 97 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | trans | -69.5 | 128.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K275 L280 D324 F326 | K275-A283 PolarHBondContact NZ-O 3.47Å; L280-A283 HydrophobicContact CB-CB 3.63Å; L280-A283 HydrophobicContact CD1-CB 4.44Å; L280-A283 WeakPolarHBondContact O-CB 3.46Å; L280-A283 PolarHBondContact O-N 3.49Å; A283-D324 CarbonylContact C-O 3.52Å; A283-D324 WeakPolarHBondContact CA-O 3.36Å; A283-D324 HydrophobicContact CB-CB 4.48Å; A283-D324 VanDerWaalsContact CB-O 3.23Å; A283-D324 WeakPolarHBondContact CB-O 3.44Å; A283-F326 HydrophobicContact CB-CB 3.78Å | ||
| 284 | N | 96.8 | Very high | 96.9 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 35% | 0.348 | 23% | 0.228 | S | C | . | . | trans | -120.4 | -0.4 | -176.3 | -159.5 | 53.4 | 0 | 0 | 0 | 114.3 | N282 G308 E310 D324 | N282-N284 PolarHBondContact O-N 3.19Å; N284-G308 PolarHBondContact ND2-O 2.86Å; N284-E310 PolarHBondContact O-N 3.25Å; N284-D324 PolarHBondContact N-O 3.28Å; N284-D324 VanDerWaalsContact N-O 3.14Å | ||
| 285 | R | 98.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 28% | 0.279 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137 | -178.8 | -69.8 | 160.1 | 172.3 | -175.8 | -4.6 | 111.6 | E310 I312 Q323 D324 V325 F326 | R285-E310 CarbonylContact C-O 3.58Å; R285-E310 VanDerWaalsContact CA-O 3.3Å; R285-E310 WeakPolarHBondContact CA-O 3.34Å; R285-E310 HydrophobicContact CG-CB 3.91Å; R285-E310 HydrophobicContact CG-CG 4.13Å; R285-E310 WeakPolarHBondContact CG-OE2 3.24Å; R285-E310 IonicContact CZ-OE1 2.73Å; R285-E310 IonicContact CZ-OE2 2.75Å; R285-E310 IonicContact NE-OE1 3.32Å; R285-E310 PolarHBondContact NE-OE1 3.31Å; R285-E310 IonicContact NE-OE2 3.66Å; R285-E310 PolarHBondContact NE-OE2 3.49Å; R285-E310 IonicContact NH2-OE1 2.66Å; R285-E310 IonicContact NH2-OE2 3.55Å; R285-E310 PolarHBondContact NH2-OE2 3.43Å; R285-I312 HydrophobicContact CB-CD1 4.08Å; R285-I312 HydrophobicContact CG-CD1 4.03Å; R285-Q323 WeakPolarHBondContact CD-O 3.26Å; R285-D324 WeakPolarHBondContact CB-O 3.38Å; R285-D324 PolarHBondContact N-O 3.45Å; R285-V325 HydrophobicContact CB-CG2 4.17Å; R285-V325 CarbonylContact O-C 3.57Å; R285-V325 VanDerWaalsContact O-CA 3.29Å; R285-V325 WeakPolarHBondContact O-CA 3.45Å; R285-F326 WeakPolarHBondContact O-CD1 3.4Å; R285-F326 WeakPolarHBondContact O-CE1 3.34Å; R285-F326 PolarHBondContact O-N 3.41Å |
| 286 | F | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.1 | 168.1 | -167.8 | -111.7 | 0 | 0 | 0 | 108.7 | M271 A274 V288 V300 E310 V311 I312 F326 G327 L329 | M271-F286 HydrophobicContact CB-CD1 4.12Å; M271-F286 HydrophobicContact CB-CD2 4.27Å; M271-F286 HydrophobicContact CB-CE1 3.76Å; M271-F286 HydrophobicContact CB-CE2 3.93Å; M271-F286 HydrophobicContact CB-CG 4.36Å; M271-F286 HydrophobicContact CB-CZ 3.66Å; M271-F286 HydrophobicContact CG-CB 4.25Å; M271-F286 HydrophobicContact CG-CD1 3.7Å; M271-F286 HydrophobicContact CG-CD2 3.75Å; M271-F286 HydrophobicContact CG-CE1 3.89Å; M271-F286 HydrophobicContact CG-CE2 3.94Å; M271-F286 HydrophobicContact CG-CG 3.63Å; M271-F286 HydrophobicContact CG-CZ 4.01Å; M271-F286 HydrophobicContact SD-CB 4.17Å; M271-F286 HydrophobicContact SD-CD1 3.66Å; M271-F286 HydrophobicContact SD-CE1 4.18Å; M271-F286 HydrophobicContact SD-CG 3.91Å; A274-F286 HydrophobicContact CB-CE2 4.37Å; F286-V288 HydrophobicContact CD1-CG2 3.68Å; F286-V288 HydrophobicContact CE1-CG2 3.79Å; F286-V300 HydrophobicContact CD1-CG1 4.28Å; F286-V300 HydrophobicContact CE1-CG1 4.26Å; F286-E310 PolarHBondContact N-O 2.97Å; F286-V311 WeakPolarHBondContact O-CA 3.4Å; F286-I312 PolarHBondContact O-N 2.96Å; F286-F326 HydrophobicContact CB-CE1 3.98Å; F286-F326 HydrophobicContact CB-CE2 4.35Å; F286-F326 HydrophobicContact CB-CZ 3.67Å; F286-F326 HydrophobicContact CD2-CD2 4.28Å; F286-F326 AromaticContact CD2-CE2 3.55Å; F286-F326 HydrophobicContact CD2-CE2 3.55Å; F286-F326 AromaticContact CD2-CZ 3.76Å; F286-F326 HydrophobicContact CD2-CZ 3.76Å; F286-F326 HydrophobicContact CE2-CE2 4.29Å; F286-F326 HydrophobicContact CG-CE2 4.33Å; F286-F326 HydrophobicContact CG-CZ 4.08Å; F286-G327 VanDerWaalsContact CD2-C 3.45Å; F286-G327 VanDerWaalsContact CD2-O 3.27Å; F286-G327 WeakPolarHBondContact CD2-O 3.3Å; F286-G327 VanDerWaalsContact CE2-C 3.48Å; F286-L329 HydrophobicContact CE1-CB 3.7Å; F286-L329 HydrophobicContact CZ-CB 3.76Å |
| 287 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.2 | 178.8 | -171.2 | -80.7 | 0 | 0 | 0 | 109.8 | I312 D314 D315 K318 V319 H322 V325 G327 V328 L329 | F287-I312 CarbonylContact C-O 3.59Å; F287-I312 HydrophobicContact CD2-CB 4.04Å; F287-I312 HydrophobicContact CD2-CG2 3.71Å; F287-I312 HydrophobicContact CE2-CG2 3.8Å; F287-D314 HydrophobicContact CE2-CB 4.01Å; F287-D314 HydrophobicContact CZ-CB 3.84Å; F287-D315 VanDerWaalsContact CZ-O 3.28Å; F287-D315 WeakPolarHBondContact CZ-O 3.38Å; F287-K318 HydrophobicContact CZ-CB 4.38Å; F287-V319 HydrophobicContact CB-CG2 3.81Å; F287-V319 HydrophobicContact CD1-CB 3.91Å; F287-V319 HydrophobicContact CD1-CG2 4.06Å; F287-V319 HydrophobicContact CD2-CB 3.85Å; F287-V319 HydrophobicContact CD2-CG2 3.9Å; F287-V319 HydrophobicContact CE1-CB 4.02Å; F287-V319 HydrophobicContact CE2-CB 3.97Å; F287-V319 HydrophobicContact CG-CB 3.82Å; F287-V319 HydrophobicContact CG-CG2 3.64Å; F287-V319 HydrophobicContact CZ-CB 4.05Å; F287-H322 AromaticContact CE2-CD2 3.93Å; F287-V325 HydrophobicContact CB-CG1 4.09Å; F287-G327 PolarHBondContact N-O 2.98Å; F287-V328 HydrophobicContact CB-CG1 4.41Å; F287-V328 HydrophobicContact CB-CG2 4.16Å; F287-V328 HydrophobicContact CD1-CG1 4.02Å; F287-V328 CarbonylContact O-C 3.5Å; F287-V328 VanDerWaalsContact O-CA 3.28Å; F287-V328 WeakPolarHBondContact O-CA 3.46Å; F287-L329 PolarHBondContact O-N 3.26Å |
| 288 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.2 | 176.6 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | F286 V292 L297 V300 V311 I312 V313 D314 L329 | F286-V288 HydrophobicContact CD1-CG2 3.68Å; F286-V288 HydrophobicContact CE1-CG2 3.79Å; V288-V292 HydrophobicContact CG1-CB 4.28Å; V288-V292 HydrophobicContact CG1-CG1 3.8Å; V288-V292 HydrophobicContact CG1-CG2 3.52Å; V288-L297 HydrophobicContact CB-CD1 4.35Å; V288-L297 HydrophobicContact CG1-CD1 4.02Å; V288-V300 HydrophobicContact CG2-CG1 4.13Å; V288-V311 HydrophobicContact CB-CG1 4.47Å; V288-V311 HydrophobicContact CG2-CG1 3.78Å; V288-I312 PolarHBondContact N-O 3.08Å; V288-V313 HydrophobicContact CB-CG2 4.43Å; V288-V313 WeakPolarHBondContact O-CA 3.35Å; V288-D314 PolarHBondContact O-N 2.86Å; V288-L329 HydrophobicContact CG1-CB 4.36Å; V288-L329 HydrophobicContact CG1-CD2 4.08Å; V288-L329 HydrophobicContact CG1-CG 4.33Å; V288-L329 HydrophobicContact CG2-CB 4.31Å |
| 289 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 139.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D291 V292 D314 A316 L329 L330 | A289-D291 VanDerWaalsContact CB-OD1 3.22Å; A289-D291 WeakPolarHBondContact CB-OD1 3.34Å; A289-D291 PolarHBondContact O-N 3.14Å; A289-D291 VanDerWaalsContact O-N 3.07Å; A289-V292 HydrophobicContact CB-CG1 4.48Å; A289-V292 WeakPolarHBondContact O-CG1 3.32Å; A289-V292 WeakPolarHBondContact O-CG2 3.28Å; A289-V292 PolarHBondContact O-N 2.98Å; A289-D314 CarbonylContact C-O 3.44Å; A289-D314 WeakPolarHBondContact CA-O 3.43Å; A289-A316 HydrophobicContact CB-CB 4.27Å; A289-L329 PolarHBondContact N-O 2.88Å; A289-L330 HydrophobicContact CB-CD2 4.1Å |
| 290 | S | 97.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 52% | 0.517 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.5 | -174.1 | 64.8 | 0 | 0 | 0 | 0 | 115.1 | D314 | S290-D314 PolarHBondContact N-O 3.27Š|
| 291 | D | 97.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 11.2 | -177.9 | 71.6 | -46 | 0 | 0 | 0 | 113.3 | A289 G334 T335 H340 | A289-D291 VanDerWaalsContact CB-OD1 3.22Å; A289-D291 WeakPolarHBondContact CB-OD1 3.34Å; A289-D291 PolarHBondContact O-N 3.14Å; A289-D291 VanDerWaalsContact O-N 3.07Å; D291-G334 WeakPolarHBondContact OD2-CA 3.46Å; D291-T335 WeakPolarHBondContact O-CB 3.22Å; D291-T335 WeakPolarHBondContact O-CG2 3.4Å; D291-T335 PolarHBondContact O-N 3.41Å; D291-H340 IonicContact OD2-CD2 3.58Å; D291-H340 IonicContact OD2-NE2 2.66Å; D291-H340 PolarHBondContact OD2-NE2 3.3Å; D291-H340 VanDerWaalsContact OD2-NE2 3.09Å |
| 292 | V | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -62.3 | 158.8 | 165.1 | -61 | 0 | 0 | 0 | 0 | 110.8 | V288 A289 L297 L329 Q331 | V288-V292 HydrophobicContact CG1-CB 4.28Å; V288-V292 HydrophobicContact CG1-CG1 3.8Å; V288-V292 HydrophobicContact CG1-CG2 3.52Å; A289-V292 HydrophobicContact CB-CG1 4.48Å; A289-V292 WeakPolarHBondContact O-CG1 3.32Å; A289-V292 WeakPolarHBondContact O-CG2 3.28Å; A289-V292 PolarHBondContact O-N 2.98Å; V292-L297 HydrophobicContact CG2-CB 3.93Å; V292-L329 HydrophobicContact CG1-CD2 4.27Å; V292-L329 HydrophobicContact CG1-CG 4.03Å; V292-Q331 HydrophobicContact CG1-CB 4.26Å |
| 293 | H | 98.2 | Very high | 97.9 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | trans | -61 | 137.8 | 174.5 | -63.4 | -39.5 | 0 | 0 | 0 | 111.5 | G201 E263 Q295 T296 L297 T335 | G201-H293 PolarHBondContact N-NE2 3.37Å; E263-H293 IonicContact OE1-CD2 3.7Å; E263-H293 PolarHBondContact OE1-CD2 3.28Å; H293-Q295 VanDerWaalsContact C-N 3.33Å; H293-Q295 PolarHBondContact O-N 3.3Å; H293-T296 WeakPolarHBondContact O-CA 3.4Å; H293-T296 VanDerWaalsContact O-CB 3.31Å; H293-T296 WeakPolarHBondContact O-CB 3.32Å; H293-T296 PolarHBondContact O-N 3.42Å; H293-L297 PolarHBondContact O-N 3.27Å; H293-T335 WeakPolarHBondContact ND1-CB 3.47Å; H293-T335 PolarHBondContact ND1-OG1 2.77Å | ||
| 294 | P | 96.9 | Very high | 97.9 | Very high | 39 Ų | 39 | 23.3 Ų | 23.3 | 25% | 0.253 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -62.2 | -37 | -173.3 | 23.1 | -33.5 | 0 | 0 | 0 | 113.2 | M200 T296 L297 D298 V852 | M200-P294 HydrophobicContact CE-CG 3.29Å; P294-T296 VanDerWaalsContact C-N 3.32Å; P294-T296 PolarHBondContact O-N 3Å; P294-L297 PolarHBondContact O-N 3.46Å; P294-D298 PolarHBondContact O-N 3.45Å; P294-V852 HydrophobicContact CB-CG2 4.14Å; P294-V852 HydrophobicContact CG-CG2 3.87Å |
| 295 | Q | 97.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.7 | -33 | 174 | 72.6 | -77.4 | 3.9 | 0 | 0 | 112.6 | M200 H293 D298 V299 F649 V852 A867 | M200-Q295 PolarHBondContact O-NE2 3.45Å; H293-Q295 VanDerWaalsContact C-N 3.33Å; H293-Q295 PolarHBondContact O-N 3.3Å; Q295-D298 WeakPolarHBondContact O-CB 3.4Å; Q295-D298 PolarHBondContact O-N 2.87Å; Q295-V299 PolarHBondContact O-N 3.43Å; Q295-F649 HydrophobicContact CB-CZ 4.33Å; Q295-F649 HydrophobicContact CG-CZ 4.05Å; Q295-V852 HydrophobicContact CB-CG2 4.04Å; Q295-A867 WeakPolarHBondContact CB-O 3.26Å; Q295-A867 HydrophobicContact CG-CB 4.24Å; Q295-A867 WeakPolarHBondContact CG-O 3.44Å |
| 296 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | A267 H293 P294 D298 V300 L329 | A267-T296 HydrophobicContact CB-CG2 3.45Å; A267-T296 VanDerWaalsContact CB-CG2 3.45Å; H293-T296 WeakPolarHBondContact O-CA 3.4Å; H293-T296 VanDerWaalsContact O-CB 3.31Å; H293-T296 WeakPolarHBondContact O-CB 3.32Å; H293-T296 PolarHBondContact O-N 3.42Å; P294-T296 VanDerWaalsContact C-N 3.32Å; P294-T296 PolarHBondContact O-N 3Å; T296-D298 VanDerWaalsContact C-N 3.33Å; T296-D298 PolarHBondContact O-N 3.25Å; T296-V300 WeakPolarHBondContact O-CB 3.47Å; T296-V300 VanDerWaalsContact O-CG2 3.24Å; T296-V300 WeakPolarHBondContact O-CG2 3.32Å; T296-V300 PolarHBondContact O-N 2.8Å; T296-L329 HydrophobicContact CG2-CD2 4.33Å |
| 297 | L | 98 | Very high | 97.5 | Very high | 23 Ų | 23 | 24.7 Ų | 24.7 | 12% | 0.12 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 174.8 | 177.7 | 60.4 | 0 | 0 | 0 | 112.5 | V288 V292 H293 P294 V300 R301 V311 V313 | V288-L297 HydrophobicContact CB-CD1 4.35Å; V288-L297 HydrophobicContact CG1-CD1 4.02Å; V292-L297 HydrophobicContact CG2-CB 3.93Å; H293-L297 PolarHBondContact O-N 3.27Å; P294-L297 PolarHBondContact O-N 3.46Å; L297-V300 PolarHBondContact O-N 3.36Å; L297-R301 HydrophobicContact CD1-CG 4.02Å; L297-R301 HydrophobicContact CG-CG 4.41Å; L297-R301 WeakPolarHBondContact O-CB 3.46Å; L297-R301 WeakPolarHBondContact O-CG 3.35Å; L297-R301 PolarHBondContact O-N 3.08Å; L297-V311 HydrophobicContact CD1-CG1 4.5Å; L297-V313 HydrophobicContact CD1-CG2 3.69Å; L297-V313 HydrophobicContact CD2-CG1 4.27Å; L297-V313 HydrophobicContact CD2-CG2 4.21Å |
| 298 | D | 96.7 | Very high | 97.3 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | -179.8 | -157.9 | 5.5 | 0 | 0 | 0 | 112 | P294 Q295 T296 R301 T302 S851 A864 | P294-D298 PolarHBondContact O-N 3.45Å; Q295-D298 WeakPolarHBondContact O-CB 3.4Å; Q295-D298 PolarHBondContact O-N 2.87Å; T296-D298 VanDerWaalsContact C-N 3.33Å; T296-D298 PolarHBondContact O-N 3.25Å; D298-R301 PolarHBondContact O-N 2.97Å; D298-T302 WeakPolarHBondContact O-CB 3.26Å; D298-T302 PolarHBondContact O-N 3.01Å; D298-T302 PolarHBondContact O-OG1 2.94Å; D298-S851 VanDerWaalsContact CG-OG 3.26Å; D298-S851 WeakPolarHBondContact OD2-CB 3.32Å; D298-S851 PolarHBondContact OD2-N 3.33Å; D298-S851 PolarHBondContact OD2-OG 3.07Å; D298-A864 HydrophobicContact CB-CB 4.15Å |
| 299 | V | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 177 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | A264 T265 A268 Q295 R301 T302 R303 A864 | A264-V299 HydrophobicContact CB-CB 3.81Å; A264-V299 HydrophobicContact CB-CG1 4.34Å; A264-V299 HydrophobicContact CB-CG2 3.59Å; T265-V299 HydrophobicContact CG2-CG1 4.33Å; A268-V299 HydrophobicContact CB-CG1 4.18Å; Q295-V299 PolarHBondContact O-N 3.43Å; V299-R301 PolarHBondContact O-N 3.49Å; V299-T302 PolarHBondContact O-N 3.39Å; V299-R303 WeakPolarHBondContact O-CB 3.46Å; V299-R303 PolarHBondContact O-N 3.26Å; V299-A864 WeakPolarHBondContact CA-O 3.32Å; V299-A864 HydrophobicContact CG2-CB 3.95Å |
| 300 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 176 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | A267 M271 F286 V288 T296 L297 R303 A304 L329 | A267-V300 HydrophobicContact CB-CG2 3.62Å; M271-V300 HydrophobicContact CE-CG1 4.4Å; M271-V300 HydrophobicContact SD-CG1 3.9Å; F286-V300 HydrophobicContact CD1-CG1 4.28Å; F286-V300 HydrophobicContact CE1-CG1 4.26Å; V288-V300 HydrophobicContact CG2-CG1 4.13Å; T296-V300 WeakPolarHBondContact O-CB 3.47Å; T296-V300 VanDerWaalsContact O-CG2 3.24Å; T296-V300 WeakPolarHBondContact O-CG2 3.32Å; T296-V300 PolarHBondContact O-N 2.8Å; L297-V300 PolarHBondContact O-N 3.36Å; V300-R303 PolarHBondContact O-N 2.91Å; V300-A304 WeakPolarHBondContact O-CB 3.14Å; V300-A304 PolarHBondContact O-N 3.03Å; V300-L329 HydrophobicContact CG2-CD2 4.24Å |
| 301 | R | 97.7 | Very high | 97.3 | Very high | 127 Ų | 127 | 30.7 Ų | 30.7 | 48% | 0.479 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.7 | -48 | 176.2 | -80 | 176.7 | 170.5 | 166.8 | -1.5 | 111.8 | L297 D298 V299 R303 A304 E305 V311 | L297-R301 HydrophobicContact CD1-CG 4.02Å; L297-R301 HydrophobicContact CG-CG 4.41Å; L297-R301 WeakPolarHBondContact O-CB 3.46Å; L297-R301 WeakPolarHBondContact O-CG 3.35Å; L297-R301 PolarHBondContact O-N 3.08Å; D298-R301 PolarHBondContact O-N 2.97Å; V299-R301 PolarHBondContact O-N 3.49Å; R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.2Å; R301-A304 PolarHBondContact O-N 3.4Å; R301-A304 VanDerWaalsContact O-N 3.15Å; R301-E305 PolarHBondContact O-N 2.85Å; R301-V311 HydrophobicContact CG-CG1 4.44Å |
| 302 | T | 97 | Very high | 97.3 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.3 | -44.4 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 111 | D298 V299 Y690 L694 G863 A864 | D298-T302 WeakPolarHBondContact O-CB 3.26Å; D298-T302 PolarHBondContact O-N 3.01Å; D298-T302 PolarHBondContact O-OG1 2.94Å; V299-T302 PolarHBondContact O-N 3.39Å; T302-Y690 PolarHBondContact O-OH 3.38Å; T302-L694 HydrophobicContact CG2-CD1 3.8Å; T302-G863 WeakPolarHBondContact OG1-CA 3.32Å; T302-A864 WeakPolarHBondContact CB-O 3.38Å; T302-A864 PolarHBondContact OG1-N 3.21Å; T302-A864 VanDerWaalsContact OG1-N 3.11Å; T302-A864 PolarHBondContact OG1-O 3.44Å |
| 303 | R | 97.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.9 | -35.4 | 177 | -162.1 | 76.9 | 65.9 | 170.4 | 1.4 | 113.4 | A268 M271 V299 V300 R301 E305 T306 F307 Y690 M727 | A268-R303 HydrophobicContact CB-CB 3.87Å; A268-R303 HydrophobicContact CB-CG 4.03Å; M271-R303 HydrophobicContact CE-CB 4Å; M271-R303 HydrophobicContact CE-CG 4.24Å; V299-R303 WeakPolarHBondContact O-CB 3.46Å; V299-R303 PolarHBondContact O-N 3.26Å; V300-R303 PolarHBondContact O-N 2.91Å; R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.2Å; R303-E305 VanDerWaalsContact C-N 3.34Å; R303-T306 PolarHBondContact O-N 3.23Å; R303-T306 PolarHBondContact O-OG1 2.72Å; R303-F307 HydrophobicContact CG-CD2 3.93Å; R303-F307 HydrophobicContact CG-CE2 3.49Å; R303-F307 VanDerWaalsContact CG-CE2 3.49Å; R303-F307 HydrophobicContact CG-CZ 4.35Å; R303-F307 VanDerWaalsContact O-CD2 3.26Å; R303-F307 WeakPolarHBondContact O-CD2 3.45Å; R303-F307 PolarHBondContact O-N 3.5Å; R303-Y690 VanDerWaalsContact NH1-CZ 3.35Å; R303-M727 PolarHBondContact NH1-SD 2.88Å |
| 304 | A | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M271 V300 R301 T306 F307 G308 F309 V311 | M271-A304 HydrophobicContact CE-CB 3.77Å; M271-A304 HydrophobicContact SD-CB 3.79Å; V300-A304 WeakPolarHBondContact O-CB 3.14Å; V300-A304 PolarHBondContact O-N 3.03Å; R301-A304 PolarHBondContact O-N 3.4Å; R301-A304 VanDerWaalsContact O-N 3.15Å; A304-T306 VanDerWaalsContact C-N 3.28Å; A304-T306 PolarHBondContact O-N 3.48Å; A304-F307 CarbonylContact O-C 3.49Å; A304-F307 PolarHBondContact O-N 3.38Å; A304-G308 PolarHBondContact O-N 2.88Å; A304-F309 HydrophobicContact CB-CB 4.15Å; A304-F309 PolarHBondContact O-N 3.05Å; A304-V311 HydrophobicContact CB-CG2 3.25Å |
| 305 | E | 95.5 | Very high | 97.4 | Very high | 101 Ų | 101 | 37.2 Ų | 37.2 | 47% | 0.472 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58 | -41.1 | 176.2 | -178.6 | 174.3 | -172.1 | 0 | 0 | 111.7 | R301 R303 G308 | R301-E305 PolarHBondContact O-N 2.85Å; R303-E305 VanDerWaalsContact C-N 3.34Å; E305-G308 PolarHBondContact O-N 3.38Å |
| 306 | T | 94.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.9 | -32.1 | -179.7 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | R303 A304 G308 Y690 L694 M727 G729 | R303-T306 PolarHBondContact O-N 3.23Å; R303-T306 PolarHBondContact O-OG1 2.72Å; A304-T306 VanDerWaalsContact C-N 3.28Å; A304-T306 PolarHBondContact O-N 3.48Å; T306-G308 VanDerWaalsContact C-N 3.32Å; T306-Y690 HydrophobicContact CG2-CE2 4.2Å; T306-L694 HydrophobicContact CG2-CD2 3.37Å; T306-M727 VanDerWaalsContact CB-O 3.29Å; T306-M727 WeakPolarHBondContact CB-O 3.41Å; T306-M727 PolarHBondContact OG1-O 3.16Å; T306-G729 WeakPolarHBondContact O-CA 3.31Å |
| 307 | F | 95.2 | Very high | 97.3 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -82.5 | -7.1 | 173.7 | -66.5 | -46.2 | 0 | 0 | 0 | 114.2 | M271 A272 R303 A304 F309 M727 | M271-F307 HydrophobicContact CE-CD2 4.49Å; A272-F307 HydrophobicContact CB-CE2 3.86Å; A272-F307 HydrophobicContact CB-CZ 4.33Å; R303-F307 HydrophobicContact CG-CD2 3.93Å; R303-F307 HydrophobicContact CG-CE2 3.49Å; R303-F307 VanDerWaalsContact CG-CE2 3.49Å; R303-F307 HydrophobicContact CG-CZ 4.35Å; R303-F307 VanDerWaalsContact O-CD2 3.26Å; R303-F307 WeakPolarHBondContact O-CD2 3.45Å; R303-F307 PolarHBondContact O-N 3.5Å; A304-F307 CarbonylContact O-C 3.49Å; A304-F307 PolarHBondContact O-N 3.38Å; F307-F309 HydrophobicContact CB-CD1 3.97Å; F307-F309 HydrophobicContact CB-CD2 3.77Å; F307-F309 HydrophobicContact CB-CE1 3.69Å; F307-F309 HydrophobicContact CB-CE2 3.5Å; F307-F309 VanDerWaalsContact CB-CE2 3.5Å; F307-F309 HydrophobicContact CB-CG 3.99Å; F307-F309 HydrophobicContact CB-CZ 3.44Å; F307-F309 VanDerWaalsContact CB-CZ 3.44Å; F307-F309 HydrophobicContact CD2-CD2 4.24Å; F307-F309 AromaticContact CD2-CE2 3.66Å; F307-F309 HydrophobicContact CD2-CE2 3.66Å; F307-F309 HydrophobicContact CD2-CZ 4.18Å; F307-F309 HydrophobicContact CG-CD2 4.45Å; F307-F309 AromaticContact CG-CE2 3.86Å; F307-F309 HydrophobicContact CG-CE2 3.86Å; F307-F309 AromaticContact CG-CZ 3.93Å; F307-F309 HydrophobicContact CG-CZ 3.93Å; F307-M727 HydrophobicContact CZ-CG 4.41Å; F307-M727 HydrophobicContact CZ-SD 3.8Å |
| 308 | G | 95.4 | Very high | 97.3 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 27.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N284 A304 E305 T306 | N284-G308 PolarHBondContact ND2-O 2.86Å; A304-G308 PolarHBondContact O-N 2.88Å; E305-G308 PolarHBondContact O-N 3.38Å; T306-G308 VanDerWaalsContact C-N 3.32Å |
| 309 | F | 97.4 | Very high | 97.4 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 141.6 | 176.5 | -55.5 | -22.2 | 0 | 0 | 0 | 111.2 | M271 K275 A304 F307 F326 | M271-F309 HydrophobicContact CE-CD2 4.19Å; M271-F309 HydrophobicContact CG-CD2 4.12Å; M271-F309 HydrophobicContact CG-CE2 4.42Å; M271-F309 HydrophobicContact SD-CD2 4Å; K275-F309 HydrophobicContact CB-CE2 4.13Å; K275-F309 HydrophobicContact CB-CZ 3.8Å; K275-F309 HydrophobicContact CD-CE1 3.95Å; K275-F309 HydrophobicContact CD-CZ 4.08Å; K275-F309 HydrophobicContact CG-CE1 3.89Å; K275-F309 HydrophobicContact CG-CE2 4.35Å; K275-F309 HydrophobicContact CG-CZ 3.55Å; A304-F309 HydrophobicContact CB-CB 4.15Å; A304-F309 PolarHBondContact O-N 3.05Å; F307-F309 HydrophobicContact CB-CD1 3.97Å; F307-F309 HydrophobicContact CB-CD2 3.77Å; F307-F309 HydrophobicContact CB-CE1 3.69Å; F307-F309 HydrophobicContact CB-CE2 3.5Å; F307-F309 VanDerWaalsContact CB-CE2 3.5Å; F307-F309 HydrophobicContact CB-CG 3.99Å; F307-F309 HydrophobicContact CB-CZ 3.44Å; F307-F309 VanDerWaalsContact CB-CZ 3.44Å; F307-F309 HydrophobicContact CD2-CD2 4.24Å; F307-F309 AromaticContact CD2-CE2 3.66Å; F307-F309 HydrophobicContact CD2-CE2 3.66Å; F307-F309 HydrophobicContact CD2-CZ 4.18Å; F307-F309 HydrophobicContact CG-CD2 4.45Å; F307-F309 AromaticContact CG-CE2 3.86Å; F307-F309 HydrophobicContact CG-CE2 3.86Å; F307-F309 AromaticContact CG-CZ 3.93Å; F307-F309 HydrophobicContact CG-CZ 3.93Å; F309-F326 HydrophobicContact CB-CE1 4.36Å; F309-F326 HydrophobicContact CD1-CE1 4.37Å; F309-F326 HydrophobicContact CD2-CE1 4.3Å; F309-F326 AromaticContact CD2-CZ 3.79Å; F309-F326 HydrophobicContact CD2-CZ 3.79Å; F309-F326 HydrophobicContact CE2-CZ 4.11Å; F309-F326 HydrophobicContact CG-CE1 4.09Å; F309-F326 HydrophobicContact CG-CZ 4.05Å |
| 310 | E | 98.1 | Very high | 97.4 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.1 | 172.4 | -177.8 | -173.4 | 166.1 | 0 | 0 | 109.3 | N284 R285 F286 | N284-E310 PolarHBondContact O-N 3.25Å; R285-E310 CarbonylContact C-O 3.58Å; R285-E310 VanDerWaalsContact CA-O 3.3Å; R285-E310 WeakPolarHBondContact CA-O 3.34Å; R285-E310 HydrophobicContact CG-CB 3.91Å; R285-E310 HydrophobicContact CG-CG 4.13Å; R285-E310 WeakPolarHBondContact CG-OE2 3.24Å; R285-E310 IonicContact CZ-OE1 2.73Å; R285-E310 IonicContact CZ-OE2 2.75Å; R285-E310 IonicContact NE-OE1 3.32Å; R285-E310 PolarHBondContact NE-OE1 3.31Å; R285-E310 IonicContact NE-OE2 3.66Å; R285-E310 PolarHBondContact NE-OE2 3.49Å; R285-E310 IonicContact NH2-OE1 2.66Å; R285-E310 IonicContact NH2-OE2 3.55Å; R285-E310 PolarHBondContact NH2-OE2 3.43Å; F286-E310 PolarHBondContact N-O 2.97Å |
| 311 | V | 98.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | F286 V288 L297 R301 A304 V313 | F286-V311 WeakPolarHBondContact O-CA 3.4Å; V288-V311 HydrophobicContact CB-CG1 4.47Å; V288-V311 HydrophobicContact CG2-CG1 3.78Å; L297-V311 HydrophobicContact CD1-CG1 4.5Å; R301-V311 HydrophobicContact CG-CG1 4.44Å; A304-V311 HydrophobicContact CB-CG2 3.25Å; V311-V313 HydrophobicContact CG1-CG2 4.03Å |
| 312 | I | 98.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.6 | 173.6 | -61.6 | 167 | 0 | 0 | 0 | 108.1 | R285 F286 F287 V288 H322 | R285-I312 HydrophobicContact CB-CD1 4.08Å; R285-I312 HydrophobicContact CG-CD1 4.03Å; F286-I312 PolarHBondContact O-N 2.96Å; F287-I312 CarbonylContact C-O 3.59Å; F287-I312 HydrophobicContact CD2-CB 4.04Å; F287-I312 HydrophobicContact CD2-CG2 3.71Å; F287-I312 HydrophobicContact CE2-CG2 3.8Å; V288-I312 PolarHBondContact N-O 3.08Å; I312-H322 HydrophobicContact CD1-CB 4.42Å |
| 313 | V | 98.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 30% | 0.297 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.4 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | V288 L297 V311 | V288-V313 HydrophobicContact CB-CG2 4.43Å; V288-V313 WeakPolarHBondContact O-CA 3.35Å; L297-V313 HydrophobicContact CD1-CG2 3.69Å; L297-V313 HydrophobicContact CD2-CG1 4.27Å; L297-V313 HydrophobicContact CD2-CG2 4.21Å; V311-V313 HydrophobicContact CG1-CG2 4.03Å |
| 314 | D | 98.3 | Very high | 97 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 179.5 | 179.3 | -151.7 | -23.3 | 0 | 0 | 0 | 110.3 | F287 V288 A289 S290 K318 | F287-D314 HydrophobicContact CE2-CB 4.01Å; F287-D314 HydrophobicContact CZ-CB 3.84Å; V288-D314 PolarHBondContact O-N 2.86Å; A289-D314 CarbonylContact C-O 3.44Å; A289-D314 WeakPolarHBondContact CA-O 3.43Å; S290-D314 PolarHBondContact N-O 3.27Å; D314-K318 HydrophobicContact CB-CB 4.03Å; D314-K318 HydrophobicContact CB-CG 4.5Å |
| 315 | D | 97.7 | Very high | 97 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | trans | -54.4 | 140.1 | 170.9 | 178.4 | -87.4 | 0 | 0 | 0 | 111.5 | F287 Q317 K318 | F287-D315 VanDerWaalsContact CZ-O 3.28Å; F287-D315 WeakPolarHBondContact CZ-O 3.38Å; D315-Q317 PolarHBondContact O-N 2.83Å; D315-Q317 WeakPolarHBondContact OD1-CB 3.28Å; D315-Q317 PolarHBondContact OD1-N 2.79Å; D315-K318 HydrophobicContact CB-CG 4.09Å; D315-K318 VanDerWaalsContact O-CB 3.26Å; D315-K318 WeakPolarHBondContact O-CB 3.49Å; D315-K318 PolarHBondContact O-N 2.7Å | ||
| 316 | A | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -52.5 | -35.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | A289 K318 V319 L330 Y342 L345 | A289-A316 HydrophobicContact CB-CB 4.27Å; A316-K318 VanDerWaalsContact C-N 3.3Å; A316-K318 PolarHBondContact O-N 3.37Å; A316-V319 WeakPolarHBondContact O-CG1 3.17Å; A316-L330 HydrophobicContact CB-CD2 3.91Å; A316-Y342 HydrophobicContact CB-CE1 3.73Å; A316-L345 HydrophobicContact CB-CD2 3.96Å; A316-L345 WeakPolarHBondContact O-CD2 3.28Å |
| 317 | Q | 97.2 | Very high | 97.3 | Very high | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -71.1 | -25.3 | 179.8 | -64.8 | -66.9 | -19.8 | 0 | 0 | 112.8 | D315 V319 L320 | D315-Q317 PolarHBondContact O-N 2.83Å; D315-Q317 WeakPolarHBondContact OD1-CB 3.28Å; D315-Q317 PolarHBondContact OD1-N 2.79Å; Q317-V319 PolarHBondContact O-N 2.91Å; Q317-L320 PolarHBondContact O-N 3.41Å |
| 318 | K | 98.1 | Very high | 97.5 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -67.5 | -17.6 | -178.3 | -69.4 | -67 | -172.8 | 178.1 | 0 | 113.9 | F287 D314 D315 A316 L320 D321 H322 | F287-K318 HydrophobicContact CZ-CB 4.38Å; D314-K318 HydrophobicContact CB-CB 4.03Å; D314-K318 HydrophobicContact CB-CG 4.5Å; D315-K318 HydrophobicContact CB-CG 4.09Å; D315-K318 VanDerWaalsContact O-CB 3.26Å; D315-K318 WeakPolarHBondContact O-CB 3.49Å; D315-K318 PolarHBondContact O-N 2.7Å; A316-K318 VanDerWaalsContact C-N 3.3Å; A316-K318 PolarHBondContact O-N 3.37Å; K318-L320 PolarHBondContact O-N 3.09Å; K318-D321 WeakPolarHBondContact CD-OD2 3.49Å; K318-D321 IonicContact NZ-OD2 2.71Å; K318-D321 PolarHBondContact NZ-OD2 2.67Å; K318-D321 VanDerWaalsContact NZ-OD2 3.13Å; K318-D321 WeakPolarHBondContact O-CB 3.21Å; K318-D321 PolarHBondContact O-N 3.22Å; K318-H322 PolarHBondContact O-CD2 2.82Å |
| 319 | V | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -51.3 | -31.4 | 171.5 | 70.5 | 0 | 0 | 0 | 0 | 112.9 | F287 A316 Q317 D321 H322 V325 V328 L345 L349 | F287-V319 HydrophobicContact CB-CG2 3.81Å; F287-V319 HydrophobicContact CD1-CB 3.91Å; F287-V319 HydrophobicContact CD1-CG2 4.06Å; F287-V319 HydrophobicContact CD2-CB 3.85Å; F287-V319 HydrophobicContact CD2-CG2 3.9Å; F287-V319 HydrophobicContact CE1-CB 4.02Å; F287-V319 HydrophobicContact CE2-CB 3.97Å; F287-V319 HydrophobicContact CG-CB 3.82Å; F287-V319 HydrophobicContact CG-CG2 3.64Å; F287-V319 HydrophobicContact CZ-CB 4.05Å; A316-V319 WeakPolarHBondContact O-CG1 3.17Å; Q317-V319 PolarHBondContact O-N 2.91Å; V319-D321 PolarHBondContact O-N 3.47Å; V319-H322 PolarHBondContact O-N 3.49Å; V319-H322 VanDerWaalsContact O-N 3.14Å; V319-V325 HydrophobicContact CG2-CG1 4.41Å; V319-V328 HydrophobicContact CG2-CG2 3.63Å; V319-L345 HydrophobicContact CG1-CD1 3.82Å; V319-L349 HydrophobicContact CB-CD2 4.42Å; V319-L349 HydrophobicContact CG1-CD1 4.37Å; V319-L349 HydrophobicContact CG1-CD2 3.7Å; V319-L349 HydrophobicContact CG1-CG 4.36Å; V319-L349 HydrophobicContact CG2-CD2 3.81Å |
| 320 | L | 97.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -70 | -18.9 | -179.7 | -58.7 | -176.5 | 0 | 0 | 0 | 113.3 | Q317 K318 H322 L345 E348 L349 R352 | Q317-L320 PolarHBondContact O-N 3.41Å; K318-L320 PolarHBondContact O-N 3.09Å; L320-H322 VanDerWaalsContact C-N 3.29Å; L320-L345 HydrophobicContact CD1-CD1 4.1Å; L320-L345 HydrophobicContact CD2-CD1 4.08Å; L320-L345 HydrophobicContact CG-CD1 3.98Å; L320-E348 HydrophobicContact CD1-CG 4.01Å; L320-E348 HydrophobicContact CD2-CB 4.23Å; L320-E348 HydrophobicContact CD2-CG 3.43Å; L320-E348 VanDerWaalsContact CD2-CG 3.43Å; L320-E348 HydrophobicContact CG-CG 4.37Å; L320-L349 HydrophobicContact CD2-CD2 4.25Å; L320-R352 PolarHBondContact O-NH1 2.87Å |
| 321 | D | 97.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -81.1 | -11.6 | 176.2 | -62.1 | -21.9 | 0 | 0 | 0 | 111.6 | K318 V319 | K318-D321 WeakPolarHBondContact CD-OD2 3.49Å; K318-D321 IonicContact NZ-OD2 2.71Å; K318-D321 PolarHBondContact NZ-OD2 2.67Å; K318-D321 VanDerWaalsContact NZ-OD2 3.13Å; K318-D321 WeakPolarHBondContact O-CB 3.21Å; K318-D321 PolarHBondContact O-N 3.22Å; V319-D321 PolarHBondContact O-N 3.47Å |
| 322 | H | 96.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 41 Ų | 41 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | trans | -102.4 | 147.1 | -176.9 | -63 | -79.8 | 0 | 0 | 0 | 113.2 | F287 I312 K318 V319 L320 V325 | F287-H322 AromaticContact CE2-CD2 3.93Å; I312-H322 HydrophobicContact CD1-CB 4.42Å; K318-H322 PolarHBondContact O-CD2 2.82Å; V319-H322 PolarHBondContact O-N 3.49Å; V319-H322 VanDerWaalsContact O-N 3.14Å; L320-H322 VanDerWaalsContact C-N 3.29Å; H322-V325 HydrophobicContact CB-CG2 3.77Å | ||
| 323 | Q | 93.8 | Very high | 97.7 | Very high | 129 Ų | 129 | 40.8 Ų | 40.8 | 60% | 0.603 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -108.5 | 167.6 | 170.6 | -60.7 | -63.5 | -41.2 | 0 | 0 | 109.8 | R285 V325 | R285-Q323 WeakPolarHBondContact CD-O 3.26Å; Q323-V325 PolarHBondContact O-N 2.74Å |
| 324 | D | 95.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 51% | 0.508 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 58.9 | 26.2 | 177.5 | -56.6 | -46 | 0 | 0 | 0 | 114.6 | A283 N284 R285 | A283-D324 CarbonylContact C-O 3.52Å; A283-D324 WeakPolarHBondContact CA-O 3.36Å; A283-D324 HydrophobicContact CB-CB 4.48Å; A283-D324 VanDerWaalsContact CB-O 3.23Å; A283-D324 WeakPolarHBondContact CB-O 3.44Å; N284-D324 PolarHBondContact N-O 3.28Å; N284-D324 VanDerWaalsContact N-O 3.14Å; R285-D324 WeakPolarHBondContact CB-O 3.38Å; R285-D324 PolarHBondContact N-O 3.45Å |
| 325 | V | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.7 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | L280 R285 F287 V319 H322 Q323 G327 V328 I354 | L280-V325 WeakPolarHBondContact CD1-O 3.39Å; R285-V325 HydrophobicContact CB-CG2 4.17Å; R285-V325 CarbonylContact O-C 3.57Å; R285-V325 VanDerWaalsContact O-CA 3.29Å; R285-V325 WeakPolarHBondContact O-CA 3.45Å; F287-V325 HydrophobicContact CB-CG1 4.09Å; V319-V325 HydrophobicContact CG2-CG1 4.41Å; H322-V325 HydrophobicContact CB-CG2 3.77Å; Q323-V325 PolarHBondContact O-N 2.74Å; V325-G327 WeakPolarHBondContact CG1-O 3.47Å; V325-V328 HydrophobicContact CG1-CG2 4.07Å; V325-I354 HydrophobicContact CB-CD1 4.19Å; V325-I354 HydrophobicContact CG1-CD1 4.4Å; V325-I354 HydrophobicContact CG1-CG2 4.07Å |
| 326 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -26.5 | 178.1 | 66.5 | -99.2 | 0 | 0 | 0 | 112.5 | M271 A274 K275 A283 R285 F286 F309 V355 | M271-F326 HydrophobicContact CG-CE2 4.38Å; M271-F326 HydrophobicContact CG-CZ 4.19Å; A274-F326 HydrophobicContact CB-CD2 4.21Å; A274-F326 HydrophobicContact CB-CE2 4.2Å; K275-F326 HydrophobicContact CB-CD2 3.99Å; K275-F326 HydrophobicContact CB-CE2 3.72Å; K275-F326 HydrophobicContact CB-CZ 4.15Å; K275-F326 HydrophobicContact CD-CD1 3.97Å; K275-F326 HydrophobicContact CD-CD2 4.21Å; K275-F326 HydrophobicContact CD-CE1 4.12Å; K275-F326 HydrophobicContact CD-CE2 4.35Å; K275-F326 HydrophobicContact CD-CG 4.02Å; K275-F326 HydrophobicContact CD-CZ 4.3Å; A283-F326 HydrophobicContact CB-CB 3.78Å; R285-F326 WeakPolarHBondContact O-CD1 3.4Å; R285-F326 WeakPolarHBondContact O-CE1 3.34Å; R285-F326 PolarHBondContact O-N 3.41Å; F286-F326 HydrophobicContact CB-CE1 3.98Å; F286-F326 HydrophobicContact CB-CE2 4.35Å; F286-F326 HydrophobicContact CB-CZ 3.67Å; F286-F326 HydrophobicContact CD2-CD2 4.28Å; F286-F326 AromaticContact CD2-CE2 3.55Å; F286-F326 HydrophobicContact CD2-CE2 3.55Å; F286-F326 AromaticContact CD2-CZ 3.76Å; F286-F326 HydrophobicContact CD2-CZ 3.76Å; F286-F326 HydrophobicContact CE2-CE2 4.29Å; F286-F326 HydrophobicContact CG-CE2 4.33Å; F286-F326 HydrophobicContact CG-CZ 4.08Å; F309-F326 HydrophobicContact CB-CE1 4.36Å; F309-F326 HydrophobicContact CD1-CE1 4.37Å; F309-F326 HydrophobicContact CD2-CE1 4.3Å; F309-F326 AromaticContact CD2-CZ 3.79Å; F309-F326 HydrophobicContact CD2-CZ 3.79Å; F309-F326 HydrophobicContact CE2-CZ 4.11Å; F309-F326 HydrophobicContact CG-CE1 4.09Å; F309-F326 HydrophobicContact CG-CZ 4.05Å; F326-V355 PolarHBondContact O-N 3.48Å |
| 327 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 162.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F286 F287 V325 V355 | F286-G327 VanDerWaalsContact CD2-C 3.45Å; F286-G327 VanDerWaalsContact CD2-O 3.27Å; F286-G327 WeakPolarHBondContact CD2-O 3.3Å; F286-G327 VanDerWaalsContact CE2-C 3.48Å; F287-G327 PolarHBondContact N-O 2.98Å; V325-G327 WeakPolarHBondContact CG1-O 3.47Å; G327-V355 CarbonylContact C-O 3.53Å; G327-V355 WeakPolarHBondContact CA-O 3.22Å |
| 328 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.2 | -176.8 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | F287 V319 V325 L330 L349 I354 V355 S357 | F287-V328 HydrophobicContact CB-CG1 4.41Å; F287-V328 HydrophobicContact CB-CG2 4.16Å; F287-V328 HydrophobicContact CD1-CG1 4.02Å; F287-V328 CarbonylContact O-C 3.5Å; F287-V328 VanDerWaalsContact O-CA 3.28Å; F287-V328 WeakPolarHBondContact O-CA 3.46Å; V319-V328 HydrophobicContact CG2-CG2 3.63Å; V325-V328 HydrophobicContact CG1-CG2 4.07Å; V328-L330 HydrophobicContact CG1-CD2 3.54Å; V328-L330 HydrophobicContact CG1-CG 3.84Å; V328-L349 HydrophobicContact CB-CD1 4.36Å; V328-L349 HydrophobicContact CG1-CD1 4.35Å; V328-L349 HydrophobicContact CG2-CD1 4.03Å; V328-L349 HydrophobicContact CG2-CD2 4.02Å; V328-I354 HydrophobicContact CG2-CG2 3.57Å; V328-V355 PolarHBondContact N-O 2.82Å; V328-S357 PolarHBondContact O-N 2.63Å; V328-S357 PolarHBondContact O-OG 3.31Å |
| 329 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.8 | 167 | 173.1 | 56.3 | 0 | 0 | 0 | 110.2 | A267 F286 F287 V288 A289 V292 T296 V300 S357 A359 F380 | A267-L329 HydrophobicContact CB-CD2 4.03Å; F286-L329 HydrophobicContact CE1-CB 3.7Å; F286-L329 HydrophobicContact CZ-CB 3.76Å; F287-L329 PolarHBondContact O-N 3.26Å; V288-L329 HydrophobicContact CG1-CB 4.36Å; V288-L329 HydrophobicContact CG1-CD2 4.08Å; V288-L329 HydrophobicContact CG1-CG 4.33Å; V288-L329 HydrophobicContact CG2-CB 4.31Å; A289-L329 PolarHBondContact N-O 2.88Å; V292-L329 HydrophobicContact CG1-CD2 4.27Å; V292-L329 HydrophobicContact CG1-CG 4.03Å; T296-L329 HydrophobicContact CG2-CD2 4.33Å; V300-L329 HydrophobicContact CG2-CD2 4.24Å; L329-S357 WeakPolarHBondContact CA-O 3.13Å; L329-S357 WeakPolarHBondContact CA-OG 3.22Å; L329-A359 HydrophobicContact CD1-CB 4.35Å; L329-F380 HydrophobicContact CD1-CE1 3.63Å; L329-F380 HydrophobicContact CD1-CZ 3.39Å; L329-F380 HydrophobicContact CD2-CZ 4.38Å |
| 330 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 159 | 174.3 | -53.6 | 177.6 | 0 | 0 | 0 | 110.2 | A289 A316 V328 Y342 L345 I346 V356 S357 V358 A359 | A289-L330 HydrophobicContact CB-CD2 4.1Å; A316-L330 HydrophobicContact CB-CD2 3.91Å; V328-L330 HydrophobicContact CG1-CD2 3.54Å; V328-L330 HydrophobicContact CG1-CG 3.84Å; L330-Y342 HydrophobicContact CB-CD2 4.12Å; L330-Y342 HydrophobicContact CB-CE2 3.66Å; L330-Y342 HydrophobicContact CD1-CD1 4.1Å; L330-Y342 HydrophobicContact CD1-CD2 3.79Å; L330-Y342 HydrophobicContact CD1-CE1 4.39Å; L330-Y342 HydrophobicContact CD1-CE2 4.07Å; L330-Y342 HydrophobicContact CD1-CG 3.79Å; L330-Y342 HydrophobicContact CG-CE2 4.37Å; L330-L345 HydrophobicContact CD1-CD2 4.39Å; L330-I346 HydrophobicContact CD1-CG1 4.4Å; L330-V356 HydrophobicContact CD1-CG1 4.03Å; L330-S357 PolarHBondContact N-O 2.87Å; L330-V358 HydrophobicContact CB-CG2 4.36Å; L330-V358 CarbonylContact O-C 3.48Å; L330-V358 WeakPolarHBondContact O-CA 3.36Å; L330-A359 PolarHBondContact O-N 3.26Å |
| 331 | Q | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.3 | 172.4 | -164.8 | 88.1 | 20.2 | 0 | 0 | 108.6 | E263 V292 V333 H340 Y342 A359 | E263-Q331 PolarHBondContact OE1-NE2 3.1Å; V292-Q331 HydrophobicContact CG1-CB 4.26Å; Q331-V333 WeakPolarHBondContact CG-O 3.08Å; Q331-V333 PolarHBondContact O-N 3.36Å; Q331-H340 PolarHBondContact O-CD2 3.37Å; Q331-Y342 WeakPolarHBondContact O-CE2 3.48Å; Q331-Y342 PolarHBondContact O-OH 2.98Å; Q331-A359 VanDerWaalsContact CD-CB 3.49Å |
| 332 | Q | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -63.7 | -42.9 | -175.6 | -178.3 | 177.4 | 27.8 | 0 | 0 | 112.5 | H340 V358 A359 A360 T369 M580 | Q332-H340 PolarHBondContact O-N 2.84Å; Q332-V358 HydrophobicContact CB-CG1 3.92Å; Q332-A359 PolarHBondContact N-O 3.03Å; Q332-A360 HydrophobicContact CB-CB 4.4Å; Q332-T369 PolarHBondContact NE2-O 3.01Å; Q332-M580 HydrophobicContact CG-CE 4.38Å |
| 333 | V | 98.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 104.8 | 169 | -176.2 | 0 | 0 | 0 | 0 | 106.1 | Q331 E338 I339 A364 L368 | Q331-V333 WeakPolarHBondContact CG-O 3.08Å; Q331-V333 PolarHBondContact O-N 3.36Å; V333-E338 CarbonylContact C-O 3.54Å; V333-E338 WeakPolarHBondContact CA-O 3.2Å; V333-I339 HydrophobicContact CG2-CG1 4.27Å; V333-A364 HydrophobicContact CG2-CB 4.28Å; V333-L368 HydrophobicContact CG2-CD1 3.64Å |
| 334 | G | 97.8 | Very high | 98 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | trans | -55.5 | 157.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | D291 T336 G337 E338 | D291-G334 WeakPolarHBondContact OD2-CA 3.46Å; G334-T336 PolarHBondContact O-N 3.48Å; G334-G337 WeakPolarHBondContact O-CA 3.41Å; G334-G337 PolarHBondContact O-N 2.86Å; G334-E338 PolarHBondContact N-O 3.4Å | ||
| 335 | T | 97.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 8% | 0.08 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21 | -178.1 | -165.7 | 0 | 0 | 0 | 0 | 113.5 | D291 H293 R526 | D291-T335 WeakPolarHBondContact O-CB 3.22Å; D291-T335 WeakPolarHBondContact O-CG2 3.4Å; D291-T335 PolarHBondContact O-N 3.41Å; H293-T335 WeakPolarHBondContact ND1-CB 3.47Å; H293-T335 PolarHBondContact ND1-OG1 2.77Å; T335-R526 PolarHBondContact O-NH1 3.33Å; T335-R526 PolarHBondContact OG1-NH1 3.06Å |
| 336 | T | 98 | Very high | 98.2 | Very high | 29 Ų | 29 | 18.8 Ų | 18.8 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 5.2 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | G334 H497 C505 I529 | G334-T336 PolarHBondContact O-N 3.48Å; T336-H497 PolarHBondContact O-CD2 3.4Å; T336-H497 PolarHBondContact OG1-NE2 2.94Å; T336-C505 WeakPolarHBondContact O-CB 3.49Å; T336-I529 HydrophobicContact CG2-CD1 3.87Å |
| 337 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 104.5 | -2.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G334 I339 Y500 T503 | G334-G337 WeakPolarHBondContact O-CA 3.41Å; G334-G337 PolarHBondContact O-N 2.86Å; G337-I339 PolarHBondContact O-N 3.4Å; G337-Y500 VanDerWaalsContact O-CA 3.24Å; G337-Y500 WeakPolarHBondContact O-CA 3.5Å; G337-Y500 VanDerWaalsContact O-CB 3.3Å; G337-Y500 WeakPolarHBondContact O-CB 3.32Å; G337-T503 WeakPolarHBondContact CA-O 3.35Å |
| 338 | E | 98.2 | Very high | 98.2 | Very high | 74 Ų | 74 | 26.1 Ų | 26.1 | 35% | 0.346 | 16% | 0.156 | S | C | . | . | trans | -67.1 | 127.6 | -178.6 | -168 | 171.7 | -175.7 | 0 | 0 | 111.8 | V333 G334 H340 H497 H499 | V333-E338 CarbonylContact C-O 3.54Å; V333-E338 WeakPolarHBondContact CA-O 3.2Å; G334-E338 PolarHBondContact N-O 3.4Å; E338-H340 PolarHBondContact O-CD2 2.93Å; E338-H340 IonicContact OE1-CE1 3.36Å; E338-H340 IonicContact OE2-CE1 2.76Å; E338-H340 PolarHBondContact OE2-CE1 2.96Å; E338-H340 VanDerWaalsContact OE2-CE1 3.32Å; E338-H340 IonicContact OE2-NE2 2.87Å; E338-H497 HydrophobicContact CB-CB 4.36Å; E338-H497 IonicContact OE2-CE1 3.02Å; E338-H497 PolarHBondContact OE2-CE1 2.94Å; E338-H497 IonicContact OE2-ND1 3.82Å; E338-H499 WeakPolarHBondContact CA-O 3.41Å | ||
| 339 | I | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -83.7 | 123.7 | 169 | -66.4 | 168.5 | 0 | 0 | 0 | 109.2 | V333 G337 L368 H499 Y500 F501 I576 M580 | V333-I339 HydrophobicContact CG2-CG1 4.27Å; G337-I339 PolarHBondContact O-N 3.4Å; I339-L368 HydrophobicContact CD1-CD1 4.35Å; I339-L368 HydrophobicContact CD1-CD2 3.87Å; I339-L368 HydrophobicContact CG1-CD1 4.3Å; I339-L368 HydrophobicContact CG2-CD1 4.48Å; I339-L368 HydrophobicContact CG2-CD2 4.46Å; I339-H499 HydrophobicContact CB-CB 4.35Å; I339-H499 PolarHBondContact N-O 3.44Å; I339-H499 VanDerWaalsContact N-O 3.08Å; I339-Y500 WeakPolarHBondContact CD1-O 3.4Å; I339-F501 HydrophobicContact CD1-CB 4.35Å; I339-I576 HydrophobicContact CD1-CB 4.47Å; I339-I576 HydrophobicContact CD1-CG1 3.82Å; I339-I576 HydrophobicContact CD1-CG2 4.48Å; I339-M580 HydrophobicContact CG2-CB 4.1Å; I339-M580 HydrophobicContact CG2-CE 3.91Å; I339-M580 HydrophobicContact CG2-CG 3.95Å |
| 340 | H | 97.7 | Very high | 98 | Very high | 31 Ų | 31 | 29.3 Ų | 29.3 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | trans | -104.7 | 130 | 176.9 | -59.5 | -74.3 | 0 | 0 | 0 | 112.5 | D291 Q331 Q332 E338 Y342 M580 | D291-H340 IonicContact OD2-CD2 3.58Å; D291-H340 IonicContact OD2-NE2 2.66Å; D291-H340 PolarHBondContact OD2-NE2 3.3Å; D291-H340 VanDerWaalsContact OD2-NE2 3.09Å; Q331-H340 PolarHBondContact O-CD2 3.37Å; Q332-H340 PolarHBondContact O-N 2.84Å; E338-H340 PolarHBondContact O-CD2 2.93Å; E338-H340 IonicContact OE1-CE1 3.36Å; E338-H340 IonicContact OE2-CE1 2.76Å; E338-H340 PolarHBondContact OE2-CE1 2.96Å; E338-H340 VanDerWaalsContact OE2-CE1 3.32Å; E338-H340 IonicContact OE2-NE2 2.87Å; H340-Y342 HydrophobicContact CB-CD1 3.99Å; H340-Y342 HydrophobicContact CB-CD2 3.91Å; H340-Y342 HydrophobicContact CB-CE1 3.53Å; H340-Y342 HydrophobicContact CB-CE2 3.46Å; H340-Y342 VanDerWaalsContact CB-CE2 3.46Å; H340-Y342 HydrophobicContact CB-CG 4.17Å; H340-Y342 AromaticContact CD2-CZ 3.78Å; H340-Y342 PolarHBondContact CD2-OH 2.92Å; H340-Y342 AromaticContact CG-CE1 3.84Å; H340-Y342 AromaticContact CG-CZ 3.47Å; H340-Y342 VanDerWaalsContact CG-CZ 3.47Å; H340-Y342 VanDerWaalsContact CG-OH 3.3Å; H340-M580 VanDerWaalsContact O-CE 3.24Å; H340-M580 WeakPolarHBondContact O-CE 3.33Å | ||
| 341 | D | 97.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | trans | -90.6 | 104 | 160.1 | -178.8 | -1.8 | 0 | 0 | 0 | 108.6 | T343 M580 | D341-T343 WeakPolarHBondContact OD1-CB 3.18Å; D341-T343 PolarHBondContact OD1-N 2.9Å; D341-T343 PolarHBondContact OD1-OG1 3.42Å; D341-M580 VanDerWaalsContact CA-SD 3.59Å; D341-M580 HydrophobicContact CB-CG 3.95Å; D341-M580 HydrophobicContact CB-SD 3.61Å | ||
| 342 | Y | 97.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | trans | -94.1 | 4.7 | -179.3 | -65.5 | -55.9 | 0 | 0 | 0 | 113.1 | A316 L330 Q331 H340 A344 L345 I346 | A316-Y342 HydrophobicContact CB-CE1 3.73Å; L330-Y342 HydrophobicContact CB-CD2 4.12Å; L330-Y342 HydrophobicContact CB-CE2 3.66Å; L330-Y342 HydrophobicContact CD1-CD1 4.1Å; L330-Y342 HydrophobicContact CD1-CD2 3.79Å; L330-Y342 HydrophobicContact CD1-CE1 4.39Å; L330-Y342 HydrophobicContact CD1-CE2 4.07Å; L330-Y342 HydrophobicContact CD1-CG 3.79Å; L330-Y342 HydrophobicContact CG-CE2 4.37Å; Q331-Y342 WeakPolarHBondContact O-CE2 3.48Å; Q331-Y342 PolarHBondContact O-OH 2.98Å; H340-Y342 HydrophobicContact CB-CD1 3.99Å; H340-Y342 HydrophobicContact CB-CD2 3.91Å; H340-Y342 HydrophobicContact CB-CE1 3.53Å; H340-Y342 HydrophobicContact CB-CE2 3.46Å; H340-Y342 VanDerWaalsContact CB-CE2 3.46Å; H340-Y342 HydrophobicContact CB-CG 4.17Å; H340-Y342 AromaticContact CD2-CZ 3.78Å; H340-Y342 PolarHBondContact CD2-OH 2.92Å; H340-Y342 AromaticContact CG-CE1 3.84Å; H340-Y342 AromaticContact CG-CZ 3.47Å; H340-Y342 VanDerWaalsContact CG-CZ 3.47Å; H340-Y342 VanDerWaalsContact CG-OH 3.3Å; Y342-A344 VanDerWaalsContact C-N 3.29Å; Y342-A344 PolarHBondContact O-N 3.07Å; Y342-A344 VanDerWaalsContact O-N 3.14Å; Y342-L345 HydrophobicContact CD1-CD2 3.89Å; Y342-L345 HydrophobicContact CE1-CD2 4.33Å; Y342-L345 PolarHBondContact O-N 3.43Å; Y342-I346 WeakPolarHBondContact O-CB 3.41Å; Y342-I346 VanDerWaalsContact O-CG1 3.31Å; Y342-I346 WeakPolarHBondContact O-CG1 3.18Å; Y342-I346 PolarHBondContact O-N 2.99Å | ||
| 343 | T | 97.7 | Very high | 97.8 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -50 | -47.6 | -173.6 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | D341 S347 | D341-T343 WeakPolarHBondContact OD1-CB 3.18Å; D341-T343 PolarHBondContact OD1-N 2.9Å; D341-T343 PolarHBondContact OD1-OG1 3.42Å; T343-S347 WeakPolarHBondContact O-CB 3.49Å; T343-S347 PolarHBondContact O-N 2.85Å |
| 344 | A | 97.8 | Very high | 97.8 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 69% | 0.686 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.5 | -43.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y342 S347 E348 | Y342-A344 VanDerWaalsContact C-N 3.29Å; Y342-A344 PolarHBondContact O-N 3.07Å; Y342-A344 VanDerWaalsContact O-N 3.14Å; A344-S347 PolarHBondContact O-N 3.43Å; A344-E348 PolarHBondContact O-N 3.16Å |
| 345 | L | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 179.5 | 177.5 | 60.3 | 0 | 0 | 0 | 111.3 | A316 V319 L320 L330 Y342 S347 E348 L349 | A316-L345 HydrophobicContact CB-CD2 3.96Å; A316-L345 WeakPolarHBondContact O-CD2 3.28Å; V319-L345 HydrophobicContact CG1-CD1 3.82Å; L320-L345 HydrophobicContact CD1-CD1 4.1Å; L320-L345 HydrophobicContact CD2-CD1 4.08Å; L320-L345 HydrophobicContact CG-CD1 3.98Å; L330-L345 HydrophobicContact CD1-CD2 4.39Å; Y342-L345 HydrophobicContact CD1-CD2 3.89Å; Y342-L345 HydrophobicContact CE1-CD2 4.33Å; Y342-L345 PolarHBondContact O-N 3.43Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 2.84Å; L345-E348 PolarHBondContact O-N 3.23Å; L345-L349 HydrophobicContact CD1-CD1 4.34Å; L345-L349 HydrophobicContact CD1-CG 4.34Å; L345-L349 HydrophobicContact CG-CD1 4.03Å; L345-L349 HydrophobicContact CG-CG 4.46Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.15Å |
| 346 | I | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 177.7 | -65.6 | -178.7 | 0 | 0 | 0 | 109.8 | L330 Y342 E348 L349 K350 V356 Q374 | L330-I346 HydrophobicContact CD1-CG1 4.4Å; Y342-I346 WeakPolarHBondContact O-CB 3.41Å; Y342-I346 VanDerWaalsContact O-CG1 3.31Å; Y342-I346 WeakPolarHBondContact O-CG1 3.18Å; Y342-I346 PolarHBondContact O-N 2.99Å; I346-E348 VanDerWaalsContact C-N 3.27Å; I346-E348 PolarHBondContact O-N 3.1Å; I346-L349 PolarHBondContact O-N 3.49Å; I346-L349 VanDerWaalsContact O-N 3.14Å; I346-K350 HydrophobicContact CG2-CG 4Å; I346-K350 WeakPolarHBondContact O-CB 3.31Å; I346-K350 VanDerWaalsContact O-CG 3.23Å; I346-K350 WeakPolarHBondContact O-CG 3.26Å; I346-K350 PolarHBondContact O-N 2.88Å; I346-V356 HydrophobicContact CD1-CG1 4.13Å; I346-V356 HydrophobicContact CG1-CG1 4Å; I346-V356 HydrophobicContact CG2-CG2 4.3Å; I346-Q374 HydrophobicContact CD1-CB 4.09Å; I346-Q374 WeakPolarHBondContact CG2-O 3.05Å |
| 347 | S | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 57% | 0.573 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -54.5 | -43.4 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | T343 A344 L345 S351 | T343-S347 WeakPolarHBondContact O-CB 3.49Å; T343-S347 PolarHBondContact O-N 2.85Å; A344-S347 PolarHBondContact O-N 3.43Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 2.84Å; S347-S351 PolarHBondContact O-N 3.01Å; S347-S351 VanDerWaalsContact O-N 3.1Å |
| 348 | E | 98.2 | Very high | 98 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 176.8 | 179.3 | 61.5 | -165.3 | 0 | 0 | 112.2 | L320 A344 L345 I346 K350 S351 R352 | L320-E348 HydrophobicContact CD1-CG 4.01Å; L320-E348 HydrophobicContact CD2-CB 4.23Å; L320-E348 HydrophobicContact CD2-CG 3.43Å; L320-E348 VanDerWaalsContact CD2-CG 3.43Å; L320-E348 HydrophobicContact CG-CG 4.37Å; A344-E348 PolarHBondContact O-N 3.16Å; L345-E348 PolarHBondContact O-N 3.23Å; I346-E348 VanDerWaalsContact C-N 3.27Å; I346-E348 PolarHBondContact O-N 3.1Å; E348-K350 VanDerWaalsContact C-N 3.33Å; E348-K350 PolarHBondContact O-N 3Å; E348-S351 WeakPolarHBondContact O-CB 3.36Å; E348-S351 PolarHBondContact O-N 3.5Å; E348-S351 PolarHBondContact O-OG 3.4Å; E348-R352 PolarHBondContact O-N 2.75Å; E348-R352 IonicContact OE1-CZ 2.84Å; E348-R352 IonicContact OE1-NE 3.61Å; E348-R352 PolarHBondContact OE1-NE 3.42Å; E348-R352 IonicContact OE1-NH2 3.67Å; E348-R352 PolarHBondContact OE1-NH2 2.85Å |
| 349 | L | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.3 | -71.6 | 172.8 | 0 | 0 | 0 | 112.1 | V319 L320 V328 L345 I346 S351 R352 K353 I354 V356 | V319-L349 HydrophobicContact CB-CD2 4.42Å; V319-L349 HydrophobicContact CG1-CD1 4.37Å; V319-L349 HydrophobicContact CG1-CD2 3.7Å; V319-L349 HydrophobicContact CG1-CG 4.36Å; V319-L349 HydrophobicContact CG2-CD2 3.81Å; L320-L349 HydrophobicContact CD2-CD2 4.25Å; V328-L349 HydrophobicContact CB-CD1 4.36Å; V328-L349 HydrophobicContact CG1-CD1 4.35Å; V328-L349 HydrophobicContact CG2-CD1 4.03Å; V328-L349 HydrophobicContact CG2-CD2 4.02Å; L345-L349 HydrophobicContact CD1-CD1 4.34Å; L345-L349 HydrophobicContact CD1-CG 4.34Å; L345-L349 HydrophobicContact CG-CD1 4.03Å; L345-L349 HydrophobicContact CG-CG 4.46Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.15Å; I346-L349 PolarHBondContact O-N 3.49Å; I346-L349 VanDerWaalsContact O-N 3.14Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 3.18Å; L349-R352 CarbonylContact O-C 3.51Å; L349-R352 WeakPolarHBondContact O-CB 3.14Å; L349-R352 PolarHBondContact O-N 3.43Å; L349-R352 VanDerWaalsContact O-N 3.15Å; L349-K353 PolarHBondContact O-N 3.37Å; L349-I354 HydrophobicContact CB-CB 4.35Å; L349-I354 HydrophobicContact CD2-CB 4.35Å; L349-I354 HydrophobicContact CD2-CD1 3.73Å; L349-I354 HydrophobicContact CD2-CG2 4.33Å; L349-I354 WeakPolarHBondContact O-CB 3.34Å; L349-I354 PolarHBondContact O-N 2.82Å; L349-V356 HydrophobicContact CB-CG2 3.84Å; L349-V356 HydrophobicContact CD1-CG2 3.84Å |
| 350 | K | 96.8 | Very high | 98 | Very high | 67 Ų | 67 | 37 Ų | 37 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.9 | -36.4 | 176.4 | -66.4 | -55.9 | -62.1 | 177.9 | 0 | 111.7 | I346 E348 R352 K353 V356 D377 | I346-K350 HydrophobicContact CG2-CG 4Å; I346-K350 WeakPolarHBondContact O-CB 3.31Å; I346-K350 VanDerWaalsContact O-CG 3.23Å; I346-K350 WeakPolarHBondContact O-CG 3.26Å; I346-K350 PolarHBondContact O-N 2.88Å; E348-K350 VanDerWaalsContact C-N 3.33Å; E348-K350 PolarHBondContact O-N 3Å; K350-R352 PolarHBondContact O-N 3.33Å; K350-K353 WeakPolarHBondContact O-CA 3.45Å; K350-K353 PolarHBondContact O-N 2.94Å; K350-V356 HydrophobicContact CD-CG2 4.39Å; K350-D377 WeakPolarHBondContact CD-OD2 3.39Å; K350-D377 IonicContact NZ-OD1 2.74Å; K350-D377 PolarHBondContact NZ-OD1 2.92Å; K350-D377 IonicContact NZ-OD2 2.84Å; K350-D377 PolarHBondContact NZ-OD2 3.21Å |
| 351 | S | 96.9 | Very high | 98 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 57% | 0.566 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.4 | -31.6 | 174.7 | 93.6 | 0 | 0 | 0 | 0 | 111.8 | S347 E348 L349 K353 | S347-S351 PolarHBondContact O-N 3.01Å; S347-S351 VanDerWaalsContact O-N 3.1Å; E348-S351 WeakPolarHBondContact O-CB 3.36Å; E348-S351 PolarHBondContact O-N 3.5Å; E348-S351 PolarHBondContact O-OG 3.4Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 3.18Å; S351-K353 VanDerWaalsContact C-N 3.33Å |
| 352 | R | 96.8 | Very high | 98.1 | Very high | 78 Ų | 78 | 34.5 Ų | 34.5 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.9 | 174.9 | -58.8 | 178.2 | -171.5 | -159.1 | 4.1 | 114.1 | L320 E348 L349 K350 I354 | L320-R352 PolarHBondContact O-NH1 2.87Å; E348-R352 PolarHBondContact O-N 2.75Å; E348-R352 IonicContact OE1-CZ 2.84Å; E348-R352 IonicContact OE1-NE 3.61Å; E348-R352 PolarHBondContact OE1-NE 3.42Å; E348-R352 IonicContact OE1-NH2 3.67Å; E348-R352 PolarHBondContact OE1-NH2 2.85Å; L349-R352 CarbonylContact O-C 3.51Å; L349-R352 WeakPolarHBondContact O-CB 3.14Å; L349-R352 PolarHBondContact O-N 3.43Å; L349-R352 VanDerWaalsContact O-N 3.15Å; K350-R352 PolarHBondContact O-N 3.33Å; R352-I354 HydrophobicContact CB-CD1 3.89Å; R352-I354 HydrophobicContact CB-CG1 3.93Å; R352-I354 PolarHBondContact O-N 3.26Å |
| 353 | K | 96.7 | Very high | 98.1 | Very high | 128 Ų | 128 | 34.3 Ų | 34.3 | 56% | 0.557 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 24.8 | -177.6 | -51.2 | 173.3 | -178 | 171.6 | 0 | 114 | K279 L280 L349 K350 S351 | K279-K353 HydrophobicContact CB-CD 4.47Å; L280-K353 HydrophobicContact CD2-CB 4.45Å; L280-K353 HydrophobicContact CG-CB 4.48Å; L349-K353 PolarHBondContact O-N 3.37Å; K350-K353 WeakPolarHBondContact O-CA 3.45Å; K350-K353 PolarHBondContact O-N 2.94Å; S351-K353 VanDerWaalsContact C-N 3.33Å |
| 354 | I | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | trans | -80.3 | 138.1 | 176.3 | -58.4 | 175.5 | 0 | 0 | 0 | 108.6 | L280 V325 V328 L349 R352 | L280-I354 HydrophobicContact CD1-CG1 4.26Å; V325-I354 HydrophobicContact CB-CD1 4.19Å; V325-I354 HydrophobicContact CG1-CD1 4.4Å; V325-I354 HydrophobicContact CG1-CG2 4.07Å; V328-I354 HydrophobicContact CG2-CG2 3.57Å; L349-I354 HydrophobicContact CB-CB 4.35Å; L349-I354 HydrophobicContact CD2-CB 4.35Å; L349-I354 HydrophobicContact CD2-CD1 3.73Å; L349-I354 HydrophobicContact CD2-CG2 4.33Å; L349-I354 WeakPolarHBondContact O-CB 3.34Å; L349-I354 PolarHBondContact O-N 2.82Å; R352-I354 HydrophobicContact CB-CD1 3.89Å; R352-I354 HydrophobicContact CB-CG1 3.93Å; R352-I354 PolarHBondContact O-N 3.26Å | ||
| 355 | V | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.2 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | A274 V277 F326 G327 V328 D377 I378 | A274-V355 HydrophobicContact CB-CB 3.9Å; A274-V355 HydrophobicContact CB-CG1 3.84Å; V277-V355 HydrophobicContact CG2-CG1 4.31Å; V277-V355 HydrophobicContact CG2-CG2 3.86Å; F326-V355 PolarHBondContact O-N 3.48Å; G327-V355 CarbonylContact C-O 3.53Å; G327-V355 WeakPolarHBondContact CA-O 3.22Å; V328-V355 PolarHBondContact N-O 2.82Å; V355-D377 WeakPolarHBondContact CA-OD2 3.37Å; V355-D377 HydrophobicContact CG1-CB 3.84Å; V355-I378 HydrophobicContact CG1-CD1 4.27Å |
| 356 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.7 | -176.4 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | L330 I346 L349 K350 V358 D377 I378 | L330-V356 HydrophobicContact CD1-CG1 4.03Å; I346-V356 HydrophobicContact CD1-CG1 4.13Å; I346-V356 HydrophobicContact CG1-CG1 4Å; I346-V356 HydrophobicContact CG2-CG2 4.3Å; L349-V356 HydrophobicContact CB-CG2 3.84Å; L349-V356 HydrophobicContact CD1-CG2 3.84Å; K350-V356 HydrophobicContact CD-CG2 4.39Å; V356-V358 HydrophobicContact CG1-CG2 4.19Å; V356-D377 PolarHBondContact N-OD2 2.65Å; V356-D377 WeakPolarHBondContact O-CA 3.27Å; V356-D377 VanDerWaalsContact O-CB 3.31Å; V356-D377 WeakPolarHBondContact O-CB 3.46Å; V356-D377 PolarHBondContact O-N 2.73Å; V356-I378 PolarHBondContact O-N 3.04Å; V356-I378 VanDerWaalsContact O-N 3.16Å |
| 357 | S | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.5 | 170.6 | 60.2 | 0 | 0 | 0 | 0 | 111 | V328 L329 L330 I378 | V328-S357 PolarHBondContact O-N 2.63Å; V328-S357 PolarHBondContact O-OG 3.31Å; L329-S357 WeakPolarHBondContact CA-O 3.13Å; L329-S357 WeakPolarHBondContact CA-OG 3.22Å; L330-S357 PolarHBondContact N-O 2.87Å; S357-I378 CarbonylContact C-O 3.47Å; S357-I378 VanDerWaalsContact CA-O 3.28Å; S357-I378 WeakPolarHBondContact CA-O 3.2Å |
| 358 | V | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120 | 180 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L330 Q332 V356 P371 A376 I378 V379 F380 | L330-V358 HydrophobicContact CB-CG2 4.36Å; L330-V358 CarbonylContact O-C 3.48Å; L330-V358 WeakPolarHBondContact O-CA 3.36Å; Q332-V358 HydrophobicContact CB-CG1 3.92Å; V356-V358 HydrophobicContact CG1-CG2 4.19Å; V358-P371 HydrophobicContact CB-CB 4.06Å; V358-P371 HydrophobicContact CG1-CB 4.02Å; V358-P371 HydrophobicContact CG1-CG 4.07Å; V358-P371 HydrophobicContact CG2-CB 4.28Å; V358-A376 HydrophobicContact CB-CB 4.47Å; V358-A376 HydrophobicContact CG2-CB 3.76Å; V358-I378 PolarHBondContact N-O 2.83Å; V358-V379 VanDerWaalsContact O-CA 3.3Å; V358-V379 WeakPolarHBondContact O-CA 3.3Å; V358-F380 PolarHBondContact O-N 3.45Å; V358-F380 VanDerWaalsContact O-N 3.12Å |
| 359 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L329 L330 Q331 Q332 F380 | L329-A359 HydrophobicContact CD1-CB 4.35Å; L330-A359 PolarHBondContact O-N 3.26Å; Q331-A359 VanDerWaalsContact CD-CB 3.49Å; Q332-A359 PolarHBondContact N-O 3.03Å; A359-F380 CarbonylContact C-O 3.56Å; A359-F380 VanDerWaalsContact CA-O 3.29Å; A359-F380 WeakPolarHBondContact CA-O 3.3Å; A359-F380 HydrophobicContact CB-CD2 4.41Å; A359-F380 HydrophobicContact CB-CE2 3.73Å; A359-F380 HydrophobicContact CB-CZ 3.81Å |
| 360 | A | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | trans | -137.6 | 150 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q332 L365 P371 V379 F380 F399 | Q332-A360 HydrophobicContact CB-CB 4.4Å; A360-L365 HydrophobicContact CB-CD1 3.97Å; A360-L365 HydrophobicContact CB-CD2 4.12Å; A360-L365 HydrophobicContact CB-CG 4.15Å; A360-P371 HydrophobicContact CB-CG 4.21Å; A360-V379 HydrophobicContact CB-CG1 4Å; A360-F380 PolarHBondContact N-O 3.27Å; A360-F399 VanDerWaalsContact O-CZ 3.26Å; A360-F399 WeakPolarHBondContact O-CZ 3.32Å | ||
| 361 | D | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 18.2 Ų | 18.2 | 21% | 0.209 | 9% | 0.093 | C | C | . | . | trans | -88.7 | 124.8 | 174.2 | 178.6 | -70 | 0 | 0 | 0 | 110.2 | M363 A364 L365 R385 | D361-M363 VanDerWaalsContact C-N 3.26Å; D361-M363 PolarHBondContact O-N 3.08Å; D361-M363 WeakPolarHBondContact OD1-CA 3.46Å; D361-M363 WeakPolarHBondContact OD1-CB 3.39Å; D361-M363 PolarHBondContact OD1-N 3.28Å; D361-A364 HydrophobicContact CB-CB 3.84Å; D361-A364 PolarHBondContact O-N 2.98Å; D361-A364 VanDerWaalsContact O-N 3.17Å; D361-A364 PolarHBondContact OD1-N 2.93Å; D361-L365 WeakPolarHBondContact O-CG 3.33Å; D361-L365 PolarHBondContact O-N 2.95Å; D361-R385 VanDerWaalsContact CG-NH1 3.28Å; D361-R385 IonicContact OD1-CZ 3.22Å; D361-R385 IonicContact OD1-NE 2.77Å; D361-R385 IonicContact OD1-NH1 2.73Å; D361-R385 PolarHBondContact OD1-NH1 3.32Å; D361-R385 WeakPolarHBondContact OD2-CD 3.45Å; D361-R385 IonicContact OD2-CZ 3.46Å; D361-R385 IonicContact OD2-NE 3.44Å; D361-R385 IonicContact OD2-NH1 3.51Å; D361-R385 PolarHBondContact OD2-NH1 3.13Å | ||
| 362 | I | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31 | -174.1 | -160.4 | 171.1 | 0 | 0 | 0 | 113.6 | V246 L250 A383 R385 F386 F399 | V246-I362 HydrophobicContact CG1-CD1 4.37Å; L250-I362 HydrophobicContact CD1-CD1 4.33Å; L250-I362 HydrophobicContact CD1-CG1 3.59Å; I362-A383 HydrophobicContact CD1-CB 3.99Å; I362-R385 HydrophobicContact CG2-CB 4.46Å; I362-F386 HydrophobicContact CB-CE1 4.41Å; I362-F386 HydrophobicContact CB-CZ 4.43Å; I362-F386 HydrophobicContact CD1-CD2 3.61Å; I362-F386 HydrophobicContact CD1-CE2 3.62Å; I362-F386 HydrophobicContact CD1-CG 4.14Å; I362-F386 HydrophobicContact CD1-CZ 4.16Å; I362-F386 HydrophobicContact CG1-CD2 4.09Å; I362-F386 HydrophobicContact CG1-CE1 4.14Å; I362-F386 HydrophobicContact CG1-CE2 3.67Å; I362-F386 HydrophobicContact CG1-CZ 3.7Å; I362-F386 HydrophobicContact CG2-CD1 3.7Å; I362-F386 HydrophobicContact CG2-CE1 3.78Å; I362-F386 HydrophobicContact CG2-CG 4.11Å; I362-F386 HydrophobicContact CG2-CZ 4.24Å; I362-F399 HydrophobicContact CB-CD1 4.35Å; I362-F399 HydrophobicContact CB-CE1 3.86Å; I362-F399 HydrophobicContact CD1-CD1 4.17Å; I362-F399 HydrophobicContact CD1-CE1 4.5Å; I362-F399 HydrophobicContact CG1-CE1 4.36Å |
| 363 | M | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -38.1 | 177.1 | -177 | 62.7 | 72.8 | 0 | 0 | 111.1 | D361 L365 V366 F386 Y461 I473 A474 I477 F501 | D361-M363 VanDerWaalsContact C-N 3.26Å; D361-M363 PolarHBondContact O-N 3.08Å; D361-M363 WeakPolarHBondContact OD1-CA 3.46Å; D361-M363 WeakPolarHBondContact OD1-CB 3.39Å; D361-M363 PolarHBondContact OD1-N 3.28Å; M363-L365 VanDerWaalsContact C-N 3.28Å; M363-L365 PolarHBondContact O-N 2.87Å; M363-V366 VanDerWaalsContact O-CB 3.27Å; M363-V366 WeakPolarHBondContact O-CB 3Å; M363-V366 WeakPolarHBondContact O-CG2 3.47Å; M363-V366 PolarHBondContact O-N 2.91Å; M363-V366 HydrophobicContact SD-CG2 4.39Å; M363-F386 HydrophobicContact CB-CE1 4.34Å; M363-F386 HydrophobicContact CE-CD1 4.09Å; M363-F386 HydrophobicContact CE-CE1 3.85Å; M363-F386 HydrophobicContact SD-CE1 4.3Å; M363-Y461 HydrophobicContact CE-CE1 4.33Å; M363-I473 HydrophobicContact CE-CB 4.37Å; M363-I473 HydrophobicContact CE-CG2 3.56Å; M363-I473 HydrophobicContact SD-CB 4.42Å; M363-I473 HydrophobicContact SD-CG2 3.92Å; M363-A474 HydrophobicContact CG-CB 4.29Å; M363-A474 HydrophobicContact SD-CB 3.87Å; M363-I477 HydrophobicContact CG-CD1 4.12Å; M363-F501 HydrophobicContact CG-CE1 4.24Å; M363-F501 HydrophobicContact CG-CZ 4.02Å |
| 364 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -61.5 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V333 D361 V366 L367 L368 F501 | V333-A364 HydrophobicContact CG2-CB 4.28Å; D361-A364 HydrophobicContact CB-CB 3.84Å; D361-A364 PolarHBondContact O-N 2.98Å; D361-A364 VanDerWaalsContact O-N 3.17Å; D361-A364 PolarHBondContact OD1-N 2.93Å; A364-V366 PolarHBondContact O-N 2.95Å; A364-L367 PolarHBondContact O-N 2.9Å; A364-L368 HydrophobicContact CB-CD1 3.88Å; A364-L368 HydrophobicContact CB-CG 4.35Å; A364-L368 WeakPolarHBondContact O-CB 3.44Å; A364-L368 WeakPolarHBondContact O-CG 3.39Å; A364-L368 PolarHBondContact O-N 3.27Å; A364-F501 HydrophobicContact CB-CB 4.48Å; A364-F501 HydrophobicContact CB-CD1 3.52Å; A364-F501 HydrophobicContact CB-CE1 3.83Å; A364-F501 HydrophobicContact CB-CG 3.99Å |
| 365 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -59.6 | -15 | 177 | -71.4 | 177.4 | 0 | 0 | 0 | 114.5 | L250 T251 A360 D361 M363 L367 P371 F399 R582 | L250-L365 HydrophobicContact CB-CB 4.04Å; L250-L365 HydrophobicContact CB-CD1 4.08Å; L250-L365 HydrophobicContact CD2-CB 4.43Å; T251-L365 HydrophobicContact CG2-CD1 4.09Å; A360-L365 HydrophobicContact CB-CD1 3.97Å; A360-L365 HydrophobicContact CB-CD2 4.12Å; A360-L365 HydrophobicContact CB-CG 4.15Å; D361-L365 WeakPolarHBondContact O-CG 3.33Å; D361-L365 PolarHBondContact O-N 2.95Å; M363-L365 VanDerWaalsContact C-N 3.28Å; M363-L365 PolarHBondContact O-N 2.87Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L365-P371 HydrophobicContact CD2-CG 4.1Å; L365-F399 HydrophobicContact CD1-CZ 4.41Å; L365-R582 WeakPolarHBondContact O-CD 3.22Å; L365-R582 PolarHBondContact O-NH1 2.7Å |
| 366 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -67.9 | -31.6 | 172.3 | 178 | 0 | 0 | 0 | 0 | 111.5 | L250 M363 A364 F386 L470 K471 A474 I586 | L250-V366 HydrophobicContact CD2-CG2 4.26Å; M363-V366 VanDerWaalsContact O-CB 3.27Å; M363-V366 WeakPolarHBondContact O-CB 3Å; M363-V366 WeakPolarHBondContact O-CG2 3.47Å; M363-V366 PolarHBondContact O-N 2.91Å; M363-V366 HydrophobicContact SD-CG2 4.39Å; A364-V366 PolarHBondContact O-N 2.95Å; V366-F386 HydrophobicContact CG2-CZ 4.4Å; V366-L470 HydrophobicContact CG1-CB 4.23Å; V366-L470 HydrophobicContact CG2-CB 4.21Å; V366-K471 HydrophobicContact CG1-CB 4.23Å; V366-K471 HydrophobicContact CG1-CG 3.59Å; V366-A474 HydrophobicContact CB-CB 4.03Å; V366-A474 HydrophobicContact CG1-CB 4.05Å; V366-I586 HydrophobicContact CB-CD1 4.45Å; V366-I586 HydrophobicContact CG1-CD1 4Å |
| 367 | L | 98.3 | Very high | 98.4 | Very high | 18 Ų | 18 | 10.8 Ų | 10.8 | 9% | 0.094 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -24.3 | 179.7 | -57.8 | -174.5 | 0 | 0 | 0 | 113.7 | A364 L365 A474 H478 F501 I576 R582 | A364-L367 PolarHBondContact O-N 2.9Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L367-A474 HydrophobicContact CD1-CB 3.92Å; L367-A474 HydrophobicContact CD2-CB 4.19Å; L367-A474 HydrophobicContact CG-CB 3.72Å; L367-H478 HydrophobicContact CD1-CB 4.32Å; L367-F501 HydrophobicContact CD1-CD2 4.42Å; L367-F501 HydrophobicContact CD1-CE2 3.93Å; L367-I576 HydrophobicContact CB-CD1 4.39Å; L367-I576 HydrophobicContact CD1-CD1 4.37Å; L367-R582 VanDerWaalsContact O-CB 3.26Å; L367-R582 WeakPolarHBondContact O-CB 3.09Å; L367-R582 PolarHBondContact O-N 2.83Å |
| 368 | L | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 147.3 | -175.7 | -59.8 | -174.3 | 0 | 0 | 0 | 112.7 | V333 I339 A364 A370 I576 M580 | V333-L368 HydrophobicContact CG2-CD1 3.64Å; I339-L368 HydrophobicContact CD1-CD1 4.35Å; I339-L368 HydrophobicContact CD1-CD2 3.87Å; I339-L368 HydrophobicContact CG1-CD1 4.3Å; I339-L368 HydrophobicContact CG2-CD1 4.48Å; I339-L368 HydrophobicContact CG2-CD2 4.46Å; A364-L368 HydrophobicContact CB-CD1 3.88Å; A364-L368 HydrophobicContact CB-CG 4.35Å; A364-L368 WeakPolarHBondContact O-CB 3.44Å; A364-L368 WeakPolarHBondContact O-CG 3.39Å; A364-L368 PolarHBondContact O-N 3.27Å; L368-A370 PolarHBondContact O-N 2.82Å; L368-I576 HydrophobicContact CD2-CD1 4.06Å; L368-I576 HydrophobicContact CD2-CG1 4.24Å; L368-I576 HydrophobicContact CD2-CG2 3.72Å; L368-M580 CarbonylContact C-O 3.5Å; L368-M580 VanDerWaalsContact CA-O 3.23Å; L368-M580 WeakPolarHBondContact CA-O 3.4Å |
| 369 | T | 98.2 | Very high | 98.4 | Very high | 17 Ų | 17 | 10.6 Ų | 10.6 | 10% | 0.104 | 6% | 0.061 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 122.1 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | Q332 K373 Q374 A579 M580 | Q332-T369 PolarHBondContact NE2-O 3.01Å; T369-K373 HydrophobicContact CG2-CB 4.15Å; T369-K373 HydrophobicContact CG2-CD 4.42Å; T369-Q374 HydrophobicContact CG2-CG 4.19Å; T369-Q374 PolarHBondContact O-NE2 2.91Å; T369-A579 PolarHBondContact OG1-O 3.3Å; T369-M580 PolarHBondContact N-O 3.47Å; T369-M580 WeakPolarHBondContact OG1-CA 3.23Å; T369-M580 PolarHBondContact OG1-O 2.97Å |
| 370 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | P | Polyproline II helix | trans | -54 | 130.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L250 L368 G372 K373 Q374 | L250-A370 WeakPolarHBondContact O-CB 3.33Å; L368-A370 PolarHBondContact O-N 2.82Å; A370-G372 PolarHBondContact O-N 2.91Å; A370-G372 VanDerWaalsContact O-N 3.16Å; A370-K373 HydrophobicContact CB-CD 4.41Å; A370-K373 HydrophobicContact CB-CG 4.32Å; A370-K373 WeakPolarHBondContact O-CB 3.39Å; A370-K373 PolarHBondContact O-N 3.23Å; A370-Q374 PolarHBondContact O-N 3.45Å |
| 371 | P | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.4 | -27.7 | -178.3 | -24.2 | 30.9 | 0 | 0 | 0 | 113.9 | V358 A360 L365 K373 Q374 G375 A376 V379 | V358-P371 HydrophobicContact CB-CB 4.06Å; V358-P371 HydrophobicContact CG1-CB 4.02Å; V358-P371 HydrophobicContact CG1-CG 4.07Å; V358-P371 HydrophobicContact CG2-CB 4.28Å; A360-P371 HydrophobicContact CB-CG 4.21Å; L365-P371 HydrophobicContact CD2-CG 4.1Å; P371-K373 VanDerWaalsContact C-N 3.29Å; P371-K373 PolarHBondContact O-N 3.45Å; P371-Q374 WeakPolarHBondContact O-CB 3.44Å; P371-Q374 PolarHBondContact O-N 3.42Å; P371-Q374 VanDerWaalsContact O-N 3.1Å; P371-G375 PolarHBondContact O-N 2.83Å; P371-G375 VanDerWaalsContact O-N 3.16Å; P371-A376 HydrophobicContact CB-CB 4.01Å; P371-A376 VanDerWaalsContact O-CB 3.23Å; P371-A376 WeakPolarHBondContact O-CB 3.44Å; P371-A376 PolarHBondContact O-N 3.47Å; P371-V379 HydrophobicContact CB-CG1 4.4Å; P371-V379 HydrophobicContact CB-CG2 3.68Å; P371-V379 HydrophobicContact CG-CG1 4.07Å; P371-V379 HydrophobicContact CG-CG2 4.23Å |
| 372 | G | 98.1 | Very high | 98.4 | Very high | 15 Ų | 15 | 9.4 Ų | 9.4 | 16% | 0.155 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.9 | -38.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T251 A370 Q374 G375 | T251-G372 WeakPolarHBondContact O-CA 3.32Å; T251-G372 PolarHBondContact O-N 3.28Å; A370-G372 PolarHBondContact O-N 2.91Å; A370-G372 VanDerWaalsContact O-N 3.16Å; G372-Q374 VanDerWaalsContact C-N 3.34Å; G372-Q374 PolarHBondContact O-N 3.06Å; G372-G375 WeakPolarHBondContact O-CA 3.22Å; G372-G375 PolarHBondContact O-N 2.91Å |
| 373 | K | 97.3 | Very high | 98.4 | Very high | 97 Ų | 97 | 9.3 Ų | 9.3 | 42% | 0.422 | 6% | 0.056 | S | C | . | . | H | α-helix | trans | -68.9 | -29.6 | 173.6 | -71 | -179.3 | 162.8 | -171 | 0 | 113.1 | T369 A370 P371 G375 D583 D584 | T369-K373 HydrophobicContact CG2-CB 4.15Å; T369-K373 HydrophobicContact CG2-CD 4.42Å; A370-K373 HydrophobicContact CB-CD 4.41Å; A370-K373 HydrophobicContact CB-CG 4.32Å; A370-K373 WeakPolarHBondContact O-CB 3.39Å; A370-K373 PolarHBondContact O-N 3.23Å; P371-K373 VanDerWaalsContact C-N 3.29Å; P371-K373 PolarHBondContact O-N 3.45Å; K373-G375 PolarHBondContact O-N 3.47Å; K373-D583 IonicContact NZ-OD1 3.86Å; K373-D583 PolarHBondContact NZ-OD1 3.38Å; K373-D584 VanDerWaalsContact CE-CG 3.48Å; K373-D584 IonicContact NZ-OD1 3.18Å; K373-D584 PolarHBondContact NZ-OD1 3.02Å; K373-D584 IonicContact NZ-OD2 2.68Å; K373-D584 PolarHBondContact NZ-OD2 3.14Å |
| 374 | Q | 97.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 9.3 Ų | 9.3 | 4% | 0.042 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -74.3 | -11.6 | 171.8 | -59.5 | -179.7 | 56.7 | 0 | 0 | 112.3 | I346 T369 A370 P371 G372 | I346-Q374 HydrophobicContact CD1-CB 4.09Å; I346-Q374 WeakPolarHBondContact CG2-O 3.05Å; T369-Q374 HydrophobicContact CG2-CG 4.19Å; T369-Q374 PolarHBondContact O-NE2 2.91Å; A370-Q374 PolarHBondContact O-N 3.45Å; P371-Q374 WeakPolarHBondContact O-CB 3.44Å; P371-Q374 PolarHBondContact O-N 3.42Å; P371-Q374 VanDerWaalsContact O-N 3.1Å; G372-Q374 VanDerWaalsContact C-N 3.34Å; G372-Q374 PolarHBondContact O-N 3.06Å |
| 375 | G | 97.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 9.9 Ų | 9.9 | 23% | 0.227 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.6 | 6.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | P371 G372 K373 K403 | P371-G375 PolarHBondContact O-N 2.83Å; P371-G375 VanDerWaalsContact O-N 3.16Å; G372-G375 WeakPolarHBondContact O-CA 3.22Å; G372-G375 PolarHBondContact O-N 2.91Å; K373-G375 PolarHBondContact O-N 3.47Å; G375-K403 PolarHBondContact O-NZ 3.47Å |
| 376 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -54.3 | 150.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V358 P371 V379 K403 | V358-A376 HydrophobicContact CB-CB 4.47Å; V358-A376 HydrophobicContact CG2-CB 3.76Å; P371-A376 HydrophobicContact CB-CB 4.01Å; P371-A376 VanDerWaalsContact O-CB 3.23Å; P371-A376 WeakPolarHBondContact O-CB 3.44Å; P371-A376 PolarHBondContact O-N 3.47Å; A376-V379 HydrophobicContact CB-CG2 3.94Å; A376-K403 WeakPolarHBondContact O-CE 3Å; A376-K403 PolarHBondContact O-NZ 2.9Å | ||
| 377 | D | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -96.6 | -34.4 | 179 | -69.4 | -48.3 | 0 | 0 | 0 | 112.6 | K350 V355 V356 A402 K403 Y406 | K350-D377 WeakPolarHBondContact CD-OD2 3.39Å; K350-D377 IonicContact NZ-OD1 2.74Å; K350-D377 PolarHBondContact NZ-OD1 2.92Å; K350-D377 IonicContact NZ-OD2 2.84Å; K350-D377 PolarHBondContact NZ-OD2 3.21Å; V355-D377 WeakPolarHBondContact CA-OD2 3.37Å; V355-D377 HydrophobicContact CG1-CB 3.84Å; V356-D377 PolarHBondContact N-OD2 2.65Å; V356-D377 WeakPolarHBondContact O-CA 3.27Å; V356-D377 VanDerWaalsContact O-CB 3.31Å; V356-D377 WeakPolarHBondContact O-CB 3.46Å; V356-D377 PolarHBondContact O-N 2.73Å; D377-A402 WeakPolarHBondContact O-CA 3.3Å; D377-K403 PolarHBondContact O-N 2.89Å; D377-K403 WeakPolarHBondContact OD1-CE 3.38Å; D377-K403 IonicContact OD1-NZ 2.78Å; D377-K403 PolarHBondContact OD1-NZ 3.37Å; D377-Y406 HydrophobicContact CB-CE2 3.75Å |
| 378 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.9 | -178.6 | -56.8 | 172.2 | 0 | 0 | 0 | 107.5 | A270 M273 V355 V356 S357 V358 F380 F400 A401 A402 | A270-I378 HydrophobicContact CB-CG2 3.96Å; M273-I378 HydrophobicContact CB-CD1 4.16Å; M273-I378 HydrophobicContact CE-CD1 4.5Å; M273-I378 HydrophobicContact CG-CD1 3.97Å; M273-I378 HydrophobicContact SD-CD1 3.98Å; V355-I378 HydrophobicContact CG1-CD1 4.27Å; V356-I378 PolarHBondContact O-N 3.04Å; V356-I378 VanDerWaalsContact O-N 3.16Å; S357-I378 CarbonylContact C-O 3.47Å; S357-I378 VanDerWaalsContact CA-O 3.28Å; S357-I378 WeakPolarHBondContact CA-O 3.2Å; V358-I378 PolarHBondContact N-O 2.83Å; I378-F380 HydrophobicContact CG2-CD1 4.43Å; I378-F400 HydrophobicContact CG2-CD2 4.49Å; I378-F400 HydrophobicContact CG2-CE1 3.81Å; I378-F400 HydrophobicContact CG2-CE2 3.8Å; I378-F400 HydrophobicContact CG2-CZ 3.41Å; I378-F400 VanDerWaalsContact CG2-CZ 3.41Å; I378-A401 CarbonylContact C-O 3.56Å; I378-A401 VanDerWaalsContact CA-O 3.27Å; I378-A401 WeakPolarHBondContact CA-O 3.39Å; I378-A402 HydrophobicContact CG1-CB 4.3Å |
| 379 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.3 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | T251 L253 V358 A360 P371 A376 F399 A401 | T251-V379 HydrophobicContact CG2-CB 3.93Å; T251-V379 HydrophobicContact CG2-CG1 3.58Å; L253-V379 HydrophobicContact CD1-CB 3.87Å; L253-V379 HydrophobicContact CD1-CG2 3.57Å; L253-V379 HydrophobicContact CG-CG2 4.23Å; V358-V379 VanDerWaalsContact O-CA 3.3Å; V358-V379 WeakPolarHBondContact O-CA 3.3Å; A360-V379 HydrophobicContact CB-CG1 4Å; P371-V379 HydrophobicContact CB-CG1 4.4Å; P371-V379 HydrophobicContact CB-CG2 3.68Å; P371-V379 HydrophobicContact CG-CG1 4.07Å; P371-V379 HydrophobicContact CG-CG2 4.23Å; A376-V379 HydrophobicContact CB-CG2 3.94Å; V379-F399 HydrophobicContact CG1-CE2 4.23Å; V379-A401 PolarHBondContact N-O 3.39Å; V379-A401 PolarHBondContact O-N 2.83Å |
| 380 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 170.6 | -179.2 | 66.9 | -92.5 | 0 | 0 | 0 | 111 | E263 A266 A267 A270 L329 V358 A359 A360 I378 F399 F400 | E263-F380 HydrophobicContact CG-CD2 4.3Å; E263-F380 HydrophobicContact CG-CE2 4.15Å; A266-F380 HydrophobicContact CB-CB 4.13Å; A266-F380 HydrophobicContact CB-CD2 3.85Å; A266-F380 HydrophobicContact CB-CG 4.17Å; A267-F380 HydrophobicContact CB-CE1 4.29Å; A267-F380 HydrophobicContact CB-CE2 3.47Å; A267-F380 VanDerWaalsContact CB-CE2 3.47Å; A267-F380 HydrophobicContact CB-CZ 3.32Å; A270-F380 HydrophobicContact CB-CD1 3.86Å; A270-F380 HydrophobicContact CB-CE1 3.72Å; L329-F380 HydrophobicContact CD1-CE1 3.63Å; L329-F380 HydrophobicContact CD1-CZ 3.39Å; L329-F380 HydrophobicContact CD2-CZ 4.38Å; V358-F380 PolarHBondContact O-N 3.45Å; V358-F380 VanDerWaalsContact O-N 3.12Å; A359-F380 CarbonylContact C-O 3.56Å; A359-F380 VanDerWaalsContact CA-O 3.29Å; A359-F380 WeakPolarHBondContact CA-O 3.3Å; A359-F380 HydrophobicContact CB-CD2 4.41Å; A359-F380 HydrophobicContact CB-CE2 3.73Å; A359-F380 HydrophobicContact CB-CZ 3.81Å; A360-F380 PolarHBondContact N-O 3.27Å; I378-F380 HydrophobicContact CG2-CD1 4.43Å; F380-F399 VanDerWaalsContact C-CZ 3.49Å; F380-F399 WeakPolarHBondContact CA-O 3.41Å; F380-F399 VanDerWaalsContact CB-O 3.29Å; F380-F399 WeakPolarHBondContact CB-O 3.31Å; F380-F400 HydrophobicContact CB-CB 4.42Å; F380-F400 HydrophobicContact CB-CD2 3.82Å; F380-F400 HydrophobicContact CB-CG 4.38Å; F380-F400 HydrophobicContact CG-CD2 4.49Å |
| 381 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -177.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A398 F399 | G381-A398 CarbonylContact O-C 3.58Å; G381-A398 VanDerWaalsContact O-CA 3.23Å; G381-A398 WeakPolarHBondContact O-CA 3.3Å; G381-F399 PolarHBondContact N-O 3.39Å; G381-F399 VanDerWaalsContact N-O 3.17Å; G381-F399 WeakPolarHBondContact O-CD1 3.46Å; G381-F399 PolarHBondContact O-N 3.27Å |
| 382 | S | 98.7 | Very high | 97.9 | Very high | 15 Ų | 15 | 10.8 Ų | 10.8 | 11% | 0.105 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136.6 | 171.3 | -174 | 0 | 0 | 0 | 0 | 112 | E263 Q384 | E263-S382 PolarHBondContact OE2-N 3.1Å; S382-Q384 VanDerWaalsContact C-N 3.31Å; S382-Q384 WeakPolarHBondContact OG-CB 3.45Å; S382-Q384 PolarHBondContact OG-N 3.08Å |
| 383 | A | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | trans | -90.3 | 8.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F243 I362 R385 F386 A397 F399 A458 | F243-A383 HydrophobicContact CE2-CB 3.7Å; F243-A383 HydrophobicContact CZ-CB 4.04Å; I362-A383 HydrophobicContact CD1-CB 3.99Å; A383-R385 VanDerWaalsContact C-N 3.28Å; A383-R385 PolarHBondContact O-N 3.33Å; A383-F386 PolarHBondContact O-N 2.61Å; A383-A397 VanDerWaalsContact CB-O 3.25Å; A383-A397 WeakPolarHBondContact CB-O 3.34Å; A383-A397 PolarHBondContact N-O 3.33Å; A383-F399 HydrophobicContact CB-CD1 4.46Å; A383-A458 HydrophobicContact CB-CB 3.99Å | ||
| 384 | Q | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -44.2 | -175.2 | 179.2 | -89.9 | -50.5 | 0 | 0 | 113.3 | T203 S382 F386 V388 H396 | T203-Q384 VanDerWaalsContact N-OE1 3.12Å; T203-Q384 PolarHBondContact O-NE2 3.33Å; T203-Q384 PolarHBondContact O-OE1 2.94Å; S382-Q384 VanDerWaalsContact C-N 3.31Å; S382-Q384 WeakPolarHBondContact OG-CB 3.45Å; S382-Q384 PolarHBondContact OG-N 3.08Å; Q384-F386 PolarHBondContact O-N 2.77Å; Q384-V388 WeakPolarHBondContact CG-O 3.4Å; Q384-V388 PolarHBondContact NE2-O 3.34Å; Q384-V388 PolarHBondContact O-N 3.06Å; Q384-V388 VanDerWaalsContact O-O 3.07Å; Q384-H396 HydrophobicContact CB-CB 4.06Å; Q384-H396 WeakPolarHBondContact CG-CD2 3.36Å; Q384-H396 VanDerWaalsContact CG-NE2 3.33Å; Q384-H396 WeakPolarHBondContact CG-NE2 3.43Å |
| 385 | R | 97.9 | Very high | 98 | Very high | 11 Ų | 11 | 5.9 Ų | 5.9 | 4% | 0.042 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -3.7 | -177.8 | -70.3 | 178.1 | 55.8 | 169.4 | 7.6 | 114.8 | T203 V205 D361 I362 A383 G387 D502 | T203-R385 WeakPolarHBondContact OG1-CD 3.34Å; T203-R385 VanDerWaalsContact OG1-CG 3.23Å; T203-R385 WeakPolarHBondContact OG1-CG 3.4Å; V205-R385 VanDerWaalsContact CG2-O 3.29Å; V205-R385 WeakPolarHBondContact CG2-O 3.4Å; D361-R385 VanDerWaalsContact CG-NH1 3.28Å; D361-R385 IonicContact OD1-CZ 3.22Å; D361-R385 IonicContact OD1-NE 2.77Å; D361-R385 IonicContact OD1-NH1 2.73Å; D361-R385 PolarHBondContact OD1-NH1 3.32Å; D361-R385 WeakPolarHBondContact OD2-CD 3.45Å; D361-R385 IonicContact OD2-CZ 3.46Å; D361-R385 IonicContact OD2-NE 3.44Å; D361-R385 IonicContact OD2-NH1 3.51Å; D361-R385 PolarHBondContact OD2-NH1 3.13Å; I362-R385 HydrophobicContact CG2-CB 4.46Å; A383-R385 VanDerWaalsContact C-N 3.28Å; A383-R385 PolarHBondContact O-N 3.33Å; R385-G387 VanDerWaalsContact C-N 3.29Å; R385-G387 PolarHBondContact O-N 3.25Å; R385-D502 IonicContact CZ-OD2 2.76Å; R385-D502 IonicContact NH1-OD2 3.62Å; R385-D502 PolarHBondContact NH1-OD2 2.91Å; R385-D502 IonicContact NH2-OD2 2.61Å; R385-D502 PolarHBondContact NH2-OD2 2.58Å; R385-D502 VanDerWaalsContact NH2-OD2 3.14Å |
| 386 | F | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 64.9 | 167.7 | -78.2 | 12.6 | 0 | 0 | 0 | 109.4 | V246 L250 I362 M363 V366 A383 Q384 A458 Y461 A462 L470 | V246-F386 HydrophobicContact CG1-CD2 4.24Å; V246-F386 HydrophobicContact CG1-CE2 3.75Å; L250-F386 HydrophobicContact CD1-CE2 3.81Å; L250-F386 HydrophobicContact CD1-CZ 3.78Å; I362-F386 HydrophobicContact CB-CE1 4.41Å; I362-F386 HydrophobicContact CB-CZ 4.43Å; I362-F386 HydrophobicContact CD1-CD2 3.61Å; I362-F386 HydrophobicContact CD1-CE2 3.62Å; I362-F386 HydrophobicContact CD1-CG 4.14Å; I362-F386 HydrophobicContact CD1-CZ 4.16Å; I362-F386 HydrophobicContact CG1-CD2 4.09Å; I362-F386 HydrophobicContact CG1-CE1 4.14Å; I362-F386 HydrophobicContact CG1-CE2 3.67Å; I362-F386 HydrophobicContact CG1-CZ 3.7Å; I362-F386 HydrophobicContact CG2-CD1 3.7Å; I362-F386 HydrophobicContact CG2-CE1 3.78Å; I362-F386 HydrophobicContact CG2-CG 4.11Å; I362-F386 HydrophobicContact CG2-CZ 4.24Å; M363-F386 HydrophobicContact CB-CE1 4.34Å; M363-F386 HydrophobicContact CE-CD1 4.09Å; M363-F386 HydrophobicContact CE-CE1 3.85Å; M363-F386 HydrophobicContact SD-CE1 4.3Å; V366-F386 HydrophobicContact CG2-CZ 4.4Å; A383-F386 PolarHBondContact O-N 2.61Å; Q384-F386 PolarHBondContact O-N 2.77Å; F386-A458 HydrophobicContact CB-CB 3.87Å; F386-A458 VanDerWaalsContact O-CA 3.28Å; F386-A458 WeakPolarHBondContact O-CA 3.46Å; F386-Y461 VanDerWaalsContact C-CG 3.44Å; F386-Y461 VanDerWaalsContact CA-CD1 3.48Å; F386-Y461 HydrophobicContact CB-CD1 3.63Å; F386-Y461 HydrophobicContact CB-CE1 4.25Å; F386-Y461 HydrophobicContact CB-CG 4.09Å; F386-Y461 HydrophobicContact CD1-CD1 4.01Å; F386-Y461 AromaticContact CD1-CE1 3.91Å; F386-Y461 HydrophobicContact CD1-CE1 3.91Å; F386-Y461 HydrophobicContact CD2-CD1 4.35Å; F386-Y461 AromaticContact CG-CD1 3.76Å; F386-Y461 HydrophobicContact CG-CD1 3.76Å; F386-Y461 HydrophobicContact CG-CE1 4.15Å; F386-Y461 WeakPolarHBondContact O-CB 3.4Å; F386-A462 HydrophobicContact CD2-CB 4.36Å; F386-A462 HydrophobicContact CE2-CB 4.36Å; F386-L470 HydrophobicContact CE1-CD2 4.3Å; F386-L470 HydrophobicContact CE2-CD1 4.39Å; F386-L470 HydrophobicContact CZ-CD1 4.2Å; F386-L470 HydrophobicContact CZ-CD2 4.34Å |
| 387 | G | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 19.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | L207 R385 I457 Y461 | L207-G387 WeakPolarHBondContact CB-O 3.34Å; L207-G387 WeakPolarHBondContact CD1-O 3.45Å; R385-G387 VanDerWaalsContact C-N 3.29Å; R385-G387 PolarHBondContact O-N 3.25Å; G387-I457 WeakPolarHBondContact O-CG2 3.26Å; G387-Y461 VanDerWaalsContact CA-CD2 3.45Å |
| 388 | V | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 5.2 Ų | 5.2 | 4% | 0.036 | 3% | 0.033 | C | C | . | . | trans | -112 | 125.3 | 176.6 | -168.3 | 0 | 0 | 0 | 0 | 110.7 | V205 Q384 L454 I457 | V205-V388 WeakPolarHBondContact CG1-O 3.48Å; Q384-V388 WeakPolarHBondContact CG-O 3.4Å; Q384-V388 PolarHBondContact NE2-O 3.34Å; Q384-V388 PolarHBondContact O-N 3.06Å; Q384-V388 VanDerWaalsContact O-O 3.07Å; V388-L454 HydrophobicContact CG1-CD1 4.09Å; V388-L454 HydrophobicContact CG1-CG 4.47Å; V388-I457 HydrophobicContact CG2-CB 4.22Å; V388-I457 HydrophobicContact CG2-CG2 3.8Å | ||
| 389 | P | 97.9 | Very high | 98 | Very high | 37 Ų | 37 | 5.2 Ų | 5.2 | 24% | 0.24 | 3% | 0.033 | C | C | . | . | trans | -58.1 | 155.6 | -179.5 | -23.5 | 33.1 | 0 | 0 | 0 | 113.8 | L207 G391 H396 A644 | L207-P389 HydrophobicContact CD2-CG 4.41Å; P389-G391 VanDerWaalsContact C-N 3.26Å; P389-G391 PolarHBondContact O-N 2.86Å; P389-H396 PolarHBondContact O-CD2 3.02Å; P389-H396 PolarHBondContact O-NE2 3.2Å; P389-A644 HydrophobicContact CB-CB 3.9Å; P389-A644 WeakPolarHBondContact CB-O 3.29Å; P389-A644 HydrophobicContact CG-CB 4.32Å | ||
| 390 | M | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 5.2 Ų | 5.2 | 4% | 0.044 | 3% | 0.033 | C | C | . | . | trans | -61.4 | -31.6 | -180 | -70.7 | -173.8 | -77.6 | 0 | 0 | 113.4 | T203 A204 Y392 G393 G394 H396 A644 E645 L646 H647 | T203-M390 VanDerWaalsContact O-CG 3.28Å; T203-M390 WeakPolarHBondContact O-CG 3.26Å; A204-M390 HydrophobicContact CB-CE 4.08Å; M390-Y392 PolarHBondContact O-N 3.4Å; M390-Y392 VanDerWaalsContact O-N 3.1Å; M390-G393 PolarHBondContact O-N 2.92Å; M390-G394 PolarHBondContact O-N 3.43Å; M390-H396 PolarHBondContact O-CE1 3.43Å; M390-H396 PolarHBondContact O-NE2 3.06Å; M390-A644 PolarHBondContact N-O 3.24Å; M390-E645 WeakPolarHBondContact CE-O 3.36Å; M390-L646 WeakPolarHBondContact CB-O 3.49Å; M390-H647 HydrophobicContact CE-CB 4.27Å; M390-H647 HydrophobicContact SD-CB 3.83Å | ||
| 391 | G | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 5.2 Ų | 5.2 | 1% | 0.01 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | 59.6 | 26 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P389 G393 G394 A644 S874 | P389-G391 VanDerWaalsContact C-N 3.26Å; P389-G391 PolarHBondContact O-N 2.86Å; G391-G393 PolarHBondContact O-N 3.08Å; G391-G393 VanDerWaalsContact O-N 3.15Å; G391-G394 PolarHBondContact O-N 3.33Å; G391-A644 PolarHBondContact N-O 2.8Å; G391-S874 WeakPolarHBondContact O-CB 3.38Å; G391-S874 PolarHBondContact O-N 2.95Å |
| 392 | Y | 88.2 | Confident | 98 | Very high | 2 Ų | 2 | 5.2 Ų | 5.2 | 1% | 0.008 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | 45.4 | 39 | -169.4 | -158.5 | -123.6 | 0 | 0 | 0 | 114.2 | M390 L646 H647 P648 A655 Y658 F870 A873 | M390-Y392 PolarHBondContact O-N 3.4Å; M390-Y392 VanDerWaalsContact O-N 3.1Å; Y392-L646 WeakPolarHBondContact CA-O 3.46Å; Y392-L646 HydrophobicContact CD2-CB 3.82Å; Y392-L646 HydrophobicContact CG-CB 4.37Å; Y392-L646 PolarHBondContact N-O 2.92Å; Y392-L646 VanDerWaalsContact N-O 3.12Å; Y392-H647 VanDerWaalsContact CD2-O 3.3Å; Y392-H647 WeakPolarHBondContact CD2-O 3.48Å; Y392-H647 VanDerWaalsContact CE2-O 3.24Å; Y392-H647 WeakPolarHBondContact CE2-O 3.43Å; Y392-P648 WeakPolarHBondContact CE2-O 3.37Å; Y392-A655 HydrophobicContact CE1-CB 4.1Å; Y392-A655 HydrophobicContact CE2-CB 4.04Å; Y392-A655 WeakPolarHBondContact OH-CB 3.31Å; Y392-Y658 WeakPolarHBondContact CB-OH 3.36Å; Y392-Y658 HydrophobicContact CD1-CD1 4.01Å; Y392-Y658 AromaticContact CD1-CD2 3.67Å; Y392-Y658 HydrophobicContact CD1-CD2 3.67Å; Y392-Y658 HydrophobicContact CD1-CE1 4.29Å; Y392-Y658 AromaticContact CD1-CE2 3.99Å; Y392-Y658 HydrophobicContact CD1-CE2 3.99Å; Y392-Y658 AromaticContact CD1-CG 3.68Å; Y392-Y658 HydrophobicContact CD1-CG 3.68Å; Y392-Y658 HydrophobicContact CD2-CD2 4.46Å; Y392-Y658 HydrophobicContact CD2-CE2 4.49Å; Y392-Y658 HydrophobicContact CE1-CD2 4.31Å; Y392-Y658 HydrophobicContact CE1-CG 4.21Å; Y392-Y658 AromaticContact CG-CD2 3.77Å; Y392-Y658 HydrophobicContact CG-CD2 3.77Å; Y392-Y658 AromaticContact CG-CE2 3.71Å; Y392-Y658 HydrophobicContact CG-CE2 3.71Å; Y392-Y658 HydrophobicContact CG-CG 4.24Å; Y392-F870 HydrophobicContact CE1-CD2 4.09Å; Y392-F870 HydrophobicContact CE1-CE2 4.45Å; Y392-A873 HydrophobicContact CD1-CB 4.06Å; Y392-A873 WeakPolarHBondContact O-CB 3.27Å |
| 393 | G | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 6.6 Ų | 6.6 | 7% | 0.072 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | 130.8 | -25.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y202 M390 G391 H396 A868 G871 | Y202-G393 WeakPolarHBondContact CE1-O 3.38Å; M390-G393 PolarHBondContact O-N 2.92Å; G391-G393 PolarHBondContact O-N 3.08Å; G391-G393 VanDerWaalsContact O-N 3.15Å; G393-H396 PolarHBondContact O-ND1 3.37Å; G393-A868 VanDerWaalsContact CA-CB 3.46Å; G393-G871 CarbonylContact C-O 3.46Å; G393-G871 VanDerWaalsContact C-O 3.3Å; G393-G871 WeakPolarHBondContact CA-O 3.34Å |
| 394 | G | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.01 | 5% | 0.054 | C | C | . | . | trans | 167.8 | -175.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | M390 G391 S872 S874 | M390-G394 PolarHBondContact O-N 3.43Å; G391-G394 PolarHBondContact O-N 3.33Å; G394-S872 CarbonylContact O-C 3.5Å; G394-S874 PolarHBondContact O-OG 3.48Å | ||
| 395 | P | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 6% | 0.058 | 8% | 0.079 | C | C | . | . | cis | -83.6 | 144.5 | 11.9 | 31 | -34.2 | 0 | 0 | 0 | 113.7 | L454 P832 S872 S874 I875 | P395-L454 HydrophobicContact CB-CD2 3.74Å; P395-L454 HydrophobicContact CB-CG 4.06Å; P395-L454 HydrophobicContact CG-CD1 4.13Å; P395-L454 HydrophobicContact CG-CD2 3.83Å; P395-L454 HydrophobicContact CG-CG 4.01Å; P395-P832 HydrophobicContact CB-CB 3.55Å; P395-P832 HydrophobicContact CB-CG 4.31Å; P395-P832 HydrophobicContact CG-CB 3.78Å; P395-P832 HydrophobicContact CG-CG 3.99Å; P395-S872 WeakPolarHBondContact CA-OG 3.26Å; P395-S874 WeakPolarHBondContact CD-OG 3.3Å; P395-I875 HydrophobicContact CG-CD1 4.29Å; P395-I875 HydrophobicContact CG-CG2 4.08Å | ||
| 396 | H | 98.5 | Very high | 97.5 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 3% | 0.028 | 8% | 0.08 | C | C | . | . | trans | -137.3 | 136.8 | 174.4 | -52.5 | 128.4 | 0 | 0 | 0 | 110.5 | Y202 Q384 P389 M390 G393 A398 Q451 | Y202-H396 AromaticContact CD1-CE1 3.74Å; Y202-H396 AromaticContact CD1-ND1 3.94Å; Y202-H396 AromaticContact CE1-CE1 3.74Å; Y202-H396 AromaticContact CE1-ND1 3.6Å; Q384-H396 HydrophobicContact CB-CB 4.06Å; Q384-H396 WeakPolarHBondContact CG-CD2 3.36Å; Q384-H396 VanDerWaalsContact CG-NE2 3.33Å; Q384-H396 WeakPolarHBondContact CG-NE2 3.43Å; P389-H396 PolarHBondContact O-CD2 3.02Å; P389-H396 PolarHBondContact O-NE2 3.2Å; M390-H396 PolarHBondContact O-CE1 3.43Å; M390-H396 PolarHBondContact O-NE2 3.06Å; G393-H396 PolarHBondContact O-ND1 3.37Å; H396-A398 PolarHBondContact O-N 3.15Å; H396-Q451 WeakPolarHBondContact O-CG 3.41Å | ||
| 397 | A | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 125.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F243 A383 Q451 L454 A455 | F243-A397 HydrophobicContact CZ-CB 4.22Å; A383-A397 VanDerWaalsContact CB-O 3.25Å; A383-A397 WeakPolarHBondContact CB-O 3.34Å; A383-A397 PolarHBondContact N-O 3.33Å; A397-Q451 HydrophobicContact CB-CB 3.91Å; A397-L454 HydrophobicContact CB-CB 4.21Å; A397-A455 HydrophobicContact CB-CB 3.71Å |
| 398 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | S259 L260 D262 A266 G381 H396 | S259-A398 WeakPolarHBondContact CA-O 3.41Å; L260-A398 HydrophobicContact CB-CB 4.11Å; L260-A398 PolarHBondContact N-O 2.96Å; L260-A398 PolarHBondContact O-N 3.45Å; D262-A398 VanDerWaalsContact O-CB 3.28Å; D262-A398 WeakPolarHBondContact O-CB 3.43Å; A266-A398 HydrophobicContact CB-CB 4.06Å; G381-A398 CarbonylContact O-C 3.58Å; G381-A398 VanDerWaalsContact O-CA 3.23Å; G381-A398 WeakPolarHBondContact O-CA 3.3Å; H396-A398 PolarHBondContact O-N 3.15Å |
| 399 | F | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 146.7 | 170.9 | 70.5 | -94.6 | 0 | 0 | 0 | 109.6 | F243 T247 T251 A360 I362 L365 V379 F380 G381 A383 | F243-F399 HydrophobicContact CE1-CB 4.26Å; F243-F399 HydrophobicContact CZ-CB 3.84Å; T247-F399 HydrophobicContact CG2-CB 3.89Å; T247-F399 HydrophobicContact CG2-CD2 3.75Å; T247-F399 HydrophobicContact CG2-CG 4.21Å; T251-F399 HydrophobicContact CG2-CD2 4.15Å; T251-F399 HydrophobicContact CG2-CE2 3.79Å; A360-F399 VanDerWaalsContact O-CZ 3.26Å; A360-F399 WeakPolarHBondContact O-CZ 3.32Å; I362-F399 HydrophobicContact CB-CD1 4.35Å; I362-F399 HydrophobicContact CB-CE1 3.86Å; I362-F399 HydrophobicContact CD1-CD1 4.17Å; I362-F399 HydrophobicContact CD1-CE1 4.5Å; I362-F399 HydrophobicContact CG1-CE1 4.36Å; L365-F399 HydrophobicContact CD1-CZ 4.41Å; V379-F399 HydrophobicContact CG1-CE2 4.23Å; F380-F399 VanDerWaalsContact C-CZ 3.49Å; F380-F399 WeakPolarHBondContact CA-O 3.41Å; F380-F399 VanDerWaalsContact CB-O 3.29Å; F380-F399 WeakPolarHBondContact CB-O 3.31Å; G381-F399 PolarHBondContact N-O 3.39Å; G381-F399 VanDerWaalsContact N-O 3.17Å; G381-F399 WeakPolarHBondContact O-CD1 3.46Å; G381-F399 PolarHBondContact O-N 3.27Å; A383-F399 HydrophobicContact CB-CD1 4.46Å |
| 400 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 119.9 | 179.1 | -172 | -75.8 | 0 | 0 | 0 | 109.3 | A256 S257 L260 A266 E269 A270 M273 I378 F380 M410 P411 | A256-F400 CarbonylContact C-O 3.47Å; A256-F400 VanDerWaalsContact CA-O 3.27Å; A256-F400 WeakPolarHBondContact CA-O 3.49Å; S257-F400 PolarHBondContact N-O 3.34Å; L260-F400 HydrophobicContact CD1-CB 3.79Å; L260-F400 HydrophobicContact CD1-CD2 3.56Å; L260-F400 HydrophobicContact CD1-CE2 4.33Å; L260-F400 HydrophobicContact CD1-CG 3.84Å; L260-F400 HydrophobicContact CG-CB 4.2Å; A266-F400 HydrophobicContact CB-CD2 4.26Å; A266-F400 WeakPolarHBondContact O-CE2 3.46Å; E269-F400 HydrophobicContact CB-CE2 4.27Å; A270-F400 HydrophobicContact CB-CE2 3.84Å; A270-F400 HydrophobicContact CB-CZ 4.28Å; M273-F400 HydrophobicContact SD-CE1 3.63Å; M273-F400 HydrophobicContact SD-CZ 3.71Å; I378-F400 HydrophobicContact CG2-CD2 4.49Å; I378-F400 HydrophobicContact CG2-CE1 3.81Å; I378-F400 HydrophobicContact CG2-CE2 3.8Å; I378-F400 HydrophobicContact CG2-CZ 3.41Å; I378-F400 VanDerWaalsContact CG2-CZ 3.41Å; F380-F400 HydrophobicContact CB-CB 4.42Å; F380-F400 HydrophobicContact CB-CD2 3.82Å; F380-F400 HydrophobicContact CB-CG 4.38Å; F380-F400 HydrophobicContact CG-CD2 4.49Å; F400-M410 HydrophobicContact CD1-CE 3.86Å; F400-M410 HydrophobicContact CD1-SD 4.02Å; F400-M410 HydrophobicContact CE1-CE 4.3Å; F400-M410 HydrophobicContact CE1-SD 3.83Å; F400-P411 HydrophobicContact CD1-CG 4.21Å; F400-P411 HydrophobicContact CE1-CG 4Å; F400-P411 HydrophobicContact CE2-CG 4.31Å; F400-P411 HydrophobicContact CG-CG 4.48Å; F400-P411 HydrophobicContact CZ-CG 4.04Å |
| 401 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T247 T251 L253 M255 A256 I378 V379 | T247-A401 HydrophobicContact CG2-CB 3.83Å; T251-A401 HydrophobicContact CG2-CB 4.46Å; L253-A401 HydrophobicContact CB-CB 4.02Å; L253-A401 HydrophobicContact CD1-CB 3.92Å; L253-A401 WeakPolarHBondContact CD1-O 3.34Å; M255-A401 CarbonylContact O-C 3.56Å; M255-A401 WeakPolarHBondContact O-CA 3.44Å; M255-A401 VanDerWaalsContact O-CB 3.27Å; M255-A401 WeakPolarHBondContact O-CB 3.38Å; A256-A401 HydrophobicContact CB-CB 4.26Å; I378-A401 CarbonylContact C-O 3.56Å; I378-A401 VanDerWaalsContact CA-O 3.27Å; I378-A401 WeakPolarHBondContact CA-O 3.39Å; V379-A401 PolarHBondContact N-O 3.39Å; V379-A401 PolarHBondContact O-N 2.83Å |
| 402 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 167.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D254 M255 M273 D377 I378 Y406 M410 | D254-A402 PolarHBondContact N-O 2.98Å; M255-A402 PolarHBondContact N-O 3.47Å; M255-A402 PolarHBondContact O-N 3.49Å; M273-A402 HydrophobicContact CE-CB 3.6Å; D377-A402 WeakPolarHBondContact O-CA 3.3Å; I378-A402 HydrophobicContact CG1-CB 4.3Å; A402-Y406 HydrophobicContact CB-CD2 4.5Å; A402-M410 HydrophobicContact CB-SD 3.52Å; A402-M410 VanDerWaalsContact CB-SD 3.52Å |
| 403 | K | 97.3 | Very high | 96.9 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 19% | 0.191 | 13% | 0.125 | C | C | . | . | trans | -63.8 | 150.1 | 169.5 | -66.9 | 179.4 | 175.2 | 156.2 | 0 | 112.3 | L253 D254 G375 A376 D377 E405 Y406 | L253-K403 HydrophobicContact CD2-CG 4.06Å; D254-K403 VanDerWaalsContact OD2-CA 3.31Å; D254-K403 WeakPolarHBondContact OD2-CA 3.26Å; G375-K403 PolarHBondContact O-NZ 3.47Å; A376-K403 WeakPolarHBondContact O-CE 3Å; A376-K403 PolarHBondContact O-NZ 2.9Å; D377-K403 PolarHBondContact O-N 2.89Å; D377-K403 WeakPolarHBondContact OD1-CE 3.38Å; D377-K403 IonicContact OD1-NZ 2.78Å; D377-K403 PolarHBondContact OD1-NZ 3.37Å; K403-E405 HydrophobicContact CB-CG 3.82Å; K403-E405 PolarHBondContact O-N 3.28Å; K403-E405 VanDerWaalsContact O-N 3.14Å; K403-Y406 HydrophobicContact CB-CD2 4.06Å; K403-Y406 HydrophobicContact CB-CE2 4.18Å; K403-Y406 HydrophobicContact CD-CE2 4.42Å; K403-Y406 PolarHBondContact O-N 2.9Å | ||
| 404 | D | 95 | Very high | 96.8 | Very high | 67 Ų | 67 | 26.4 Ų | 26.4 | 36% | 0.358 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -57 | -33.1 | 179.1 | 178.3 | 73.8 | 0 | 0 | 0 | 112 | D254 Y406 K407 | D254-D404 HydrophobicContact CB-CB 3.88Å; D254-D404 PolarHBondContact OD2-N 3.47Å; D404-Y406 PolarHBondContact O-N 3.05Å; D404-K407 WeakPolarHBondContact O-CB 3.2Å; D404-K407 VanDerWaalsContact O-CG 3.25Å; D404-K407 WeakPolarHBondContact O-CG 3.26Å; D404-K407 PolarHBondContact O-N 3.43Å; D404-K407 VanDerWaalsContact O-N 3.08Å; D404-K407 WeakPolarHBondContact OD1-CD 3.28Å; D404-K407 IonicContact OD1-NZ 3.83Å; D404-K407 PolarHBondContact OD1-NZ 3.46Å; D404-K407 IonicContact OD2-NZ 3.79Å; D404-K407 PolarHBondContact OD2-NZ 3.22Å |
| 405 | E | 95.3 | Very high | 96.7 | Very high | 113 Ų | 113 | 26.3 Ų | 26.3 | 53% | 0.528 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -57.7 | -21 | 176.5 | 62.1 | 169 | 173.7 | 0 | 0 | 113.6 | K403 | K403-E405 HydrophobicContact CB-CG 3.82Å; K403-E405 PolarHBondContact O-N 3.28Å; K403-E405 VanDerWaalsContact O-N 3.14Å |
| 406 | Y | 95.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 26 Ų | 26 | 8% | 0.078 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -103.7 | 6.4 | -179 | -52.8 | -42.3 | 0 | 0 | 0 | 114.7 | M273 V277 D377 A402 K403 D404 R408 S409 M410 | M273-Y406 HydrophobicContact CE-CD2 4.45Å; M273-Y406 HydrophobicContact CE-CG 4.16Å; V277-Y406 HydrophobicContact CB-CD1 3.57Å; V277-Y406 HydrophobicContact CB-CE1 3.71Å; V277-Y406 HydrophobicContact CB-CG 4.38Å; V277-Y406 HydrophobicContact CG1-CD1 3.58Å; V277-Y406 HydrophobicContact CG1-CE1 4.25Å; V277-Y406 HydrophobicContact CG1-CG 4.09Å; V277-Y406 HydrophobicContact CG2-CD1 3.78Å; V277-Y406 HydrophobicContact CG2-CE1 3.66Å; V277-Y406 HydrophobicContact CG2-CG 4.31Å; D377-Y406 HydrophobicContact CB-CE2 3.75Å; A402-Y406 HydrophobicContact CB-CD2 4.5Å; K403-Y406 HydrophobicContact CB-CD2 4.06Å; K403-Y406 HydrophobicContact CB-CE2 4.18Å; K403-Y406 HydrophobicContact CD-CE2 4.42Å; K403-Y406 PolarHBondContact O-N 2.9Å; D404-Y406 PolarHBondContact O-N 3.05Å; Y406-R408 PolarHBondContact O-N 2.99Å; Y406-S409 WeakPolarHBondContact O-CA 3.39Å; Y406-S409 WeakPolarHBondContact O-CB 3.36Å; Y406-S409 PolarHBondContact O-N 2.92Å; Y406-M410 PolarHBondContact O-N 3.27Å |
| 407 | K | 94 | Very high | 96.4 | Very high | 61 Ų | 61 | 26.5 Ų | 26.5 | 27% | 0.265 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -51.5 | -34.2 | -174.8 | 65.9 | -173.1 | 156.7 | -149.9 | 0 | 116.1 | M255 D404 S409 R434 L1059 | M255-K407 HydrophobicContact CE-CB 3.96Å; M255-K407 HydrophobicContact SD-CB 3.25Å; M255-K407 WeakPolarHBondContact SD-CB 3.4Å; M255-K407 HydrophobicContact SD-CD 4.06Å; M255-K407 HydrophobicContact SD-CG 4.33Å; D404-K407 WeakPolarHBondContact O-CB 3.2Å; D404-K407 VanDerWaalsContact O-CG 3.25Å; D404-K407 WeakPolarHBondContact O-CG 3.26Å; D404-K407 PolarHBondContact O-N 3.43Å; D404-K407 VanDerWaalsContact O-N 3.08Å; D404-K407 WeakPolarHBondContact OD1-CD 3.28Å; D404-K407 IonicContact OD1-NZ 3.83Å; D404-K407 PolarHBondContact OD1-NZ 3.46Å; D404-K407 IonicContact OD2-NZ 3.79Å; D404-K407 PolarHBondContact OD2-NZ 3.22Å; K407-S409 PolarHBondContact O-N 3.2Å; K407-R434 WeakPolarHBondContact O-CD 3.45Å; K407-L1059 HydrophobicContact CD-CD2 3.71Å |
| 408 | R | 94.6 | Very high | 96.3 | Very high | 190 Ų | 190 | 26.5 Ų | 26.5 | 72% | 0.717 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -72.3 | -16.9 | 178.3 | -66.2 | -173.5 | 177.3 | -167.4 | -0.9 | 113.7 | Y406 M431 N444 | Y406-R408 PolarHBondContact O-N 2.99Å; R408-M431 HydrophobicContact CG-CE 4.32Å; R408-N444 PolarHBondContact O-ND2 2.73Å |
| 409 | S | 95.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 17% | 0.168 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -104.8 | -2.5 | -177.8 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | R276 V277 Y406 K407 N444 | R276-S409 PolarHBondContact NH2-O 3.14Å; V277-S409 WeakPolarHBondContact CG1-OG 3.09Å; Y406-S409 WeakPolarHBondContact O-CA 3.39Å; Y406-S409 WeakPolarHBondContact O-CB 3.36Å; Y406-S409 PolarHBondContact O-N 2.92Å; K407-S409 PolarHBondContact O-N 3.2Å; S409-N444 VanDerWaalsContact CA-ND2 3.33Å; S409-N444 WeakPolarHBondContact CA-ND2 3.48Å; S409-N444 PolarHBondContact O-ND2 3.07Å |
| 410 | M | 96.8 | Very high | 96 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -59 | 133.4 | 179 | -75.6 | -71.6 | -74 | 0 | 0 | 111.4 | M273 F400 A402 Y406 I414 R434 N444 | M273-M410 HydrophobicContact CE-CG 4.2Å; M273-M410 HydrophobicContact CE-SD 3.8Å; M273-M410 HydrophobicContact SD-SD 4.24Å; F400-M410 HydrophobicContact CD1-CE 3.86Å; F400-M410 HydrophobicContact CD1-SD 4.02Å; F400-M410 HydrophobicContact CE1-CE 4.3Å; F400-M410 HydrophobicContact CE1-SD 3.83Å; A402-M410 HydrophobicContact CB-SD 3.52Å; A402-M410 VanDerWaalsContact CB-SD 3.52Å; Y406-M410 PolarHBondContact O-N 3.27Å; M410-I414 HydrophobicContact CB-CD1 3.84Å; M410-I414 HydrophobicContact CG-CD1 4.16Å; M410-R434 PolarHBondContact O-NH1 3.05Å; M410-N444 PolarHBondContact O-ND2 3.41Å | ||
| 411 | P | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -77.8 | 161.7 | 169.3 | 35.8 | -37.2 | 0 | 0 | 0 | 111.2 | L260 E269 F400 | L260-P411 HydrophobicContact CD1-CG 4.03Å; L260-P411 HydrophobicContact CD2-CB 4.2Å; L260-P411 HydrophobicContact CD2-CG 4.18Å; E269-P411 HydrophobicContact CB-CB 4.29Å; E269-P411 HydrophobicContact CB-CG 4.05Å; E269-P411 HydrophobicContact CG-CB 4.19Å; E269-P411 HydrophobicContact CG-CG 4.42Å; F400-P411 HydrophobicContact CD1-CG 4.21Å; F400-P411 HydrophobicContact CE1-CG 4Å; F400-P411 HydrophobicContact CE2-CG 4.31Å; F400-P411 HydrophobicContact CG-CG 4.48Å; F400-P411 HydrophobicContact CZ-CG 4.04Å | ||
| 412 | G | 91.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 67.7 | -176.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R434 | G412-R434 PolarHBondContact O-NH1 2.84Š|
| 413 | R | 95.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | trans | -72.9 | 153.8 | 176.6 | -74.4 | 179.6 | -75.9 | -87.7 | 1.4 | 111.2 | S257 A258 M429 C448 S450 G830 | S257-R413 CarbonylContact C-O 3.59Å; S257-R413 WeakPolarHBondContact CA-O 3.3Å; A258-R413 HydrophobicContact CB-CB 4.15Å; A258-R413 PolarHBondContact N-O 2.79Å; R413-M429 WeakPolarHBondContact CD-SD 3.44Å; R413-M429 HydrophobicContact CG-SD 3.94Å; R413-C448 PolarHBondContact NH1-O 3.25Å; R413-C448 PolarHBondContact NH2-O 3.02Å; R413-S450 PolarHBondContact NH2-OG 3.38Å; R413-G830 PolarHBondContact NH2-O 3.16Å | ||
| 414 | I | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -133.8 | 130.2 | 171 | -60.5 | 174.8 | 0 | 0 | 0 | 106.7 | M255 M410 M429 A430 C1061 | M255-I414 HydrophobicContact CE-CD1 3.82Å; M255-I414 HydrophobicContact CE-CG2 4.18Å; M410-I414 HydrophobicContact CB-CD1 3.84Å; M410-I414 HydrophobicContact CG-CD1 4.16Å; I414-M429 CarbonylContact O-C 3.54Å; I414-M429 WeakPolarHBondContact O-CA 3.33Å; I414-A430 PolarHBondContact O-N 2.81Å; I414-C1061 HydrophobicContact CG2-CB 4.09Å; I414-C1061 VanDerWaalsContact CG2-SG 3.54Å | ||
| 415 | I | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130 | 172 | -52.3 | -41.5 | 0 | 0 | 0 | 108.6 | L237 L240 L241 Q244 A258 L427 R428 M429 | L237-I415 HydrophobicContact CB-CG2 4.39Å; L237-I415 HydrophobicContact CD2-CD1 3.47Å; L237-I415 VanDerWaalsContact CD2-CD1 3.47Å; L237-I415 HydrophobicContact CD2-CG1 4.1Å; L237-I415 HydrophobicContact CD2-CG2 4.03Å; L240-I415 HydrophobicContact CB-CG1 3.65Å; L240-I415 HydrophobicContact CD1-CD1 4.1Å; L240-I415 HydrophobicContact CD1-CG1 4.09Å; L241-I415 HydrophobicContact CB-CG2 4.31Å; L241-I415 HydrophobicContact CD1-CB 4.48Å; L241-I415 HydrophobicContact CD1-CG2 4.33Å; Q244-I415 PolarHBondContact NE2-O 2.82Å; A258-I415 HydrophobicContact CB-CD1 4.22Å; A258-I415 HydrophobicContact CB-CG1 4.02Å; I415-L427 HydrophobicContact CG2-CB 4.41Å; I415-R428 WeakPolarHBondContact CA-O 3.21Å; I415-M429 HydrophobicContact CD1-CG 4.12Å |
| 416 | G | 95.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R428 F1060 | G416-R428 PolarHBondContact N-O 3.36Å; G416-R428 PolarHBondContact O-N 3.23Å; G416-F1060 CarbonylContact C-O 3.52Å; G416-F1060 VanDerWaalsContact CA-O 3.32Å; G416-F1060 WeakPolarHBondContact CA-O 3.49Å |
| 417 | V | 95.4 | Very high | 95 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.3 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | L241 T425 L427 F1060 V1064 | L241-V417 HydrophobicContact CD2-CG2 3.98Å; V417-T425 HydrophobicContact CG1-CG2 3.73Å; V417-L427 HydrophobicContact CB-CD2 4.4Å; V417-L427 HydrophobicContact CG2-CD2 3.7Å; V417-F1060 HydrophobicContact CB-CB 4.35Å; V417-F1060 HydrophobicContact CB-CD1 3.85Å; V417-F1060 HydrophobicContact CG2-CD1 3.63Å; V417-F1060 HydrophobicContact CG2-CE1 4.23Å; V417-F1060 PolarHBondContact N-O 2.87Å; V417-V1064 HydrophobicContact CB-CG2 4.15Å; V417-V1064 HydrophobicContact CG1-CG2 3.65Å; V417-V1064 HydrophobicContact CG2-CG2 3.41Å; V417-V1064 VanDerWaalsContact CG2-CG2 3.41Å |
| 418 | S | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | -163.6 | 175.8 | -160.2 | 0 | 0 | 0 | 0 | 109.8 | A426 D1051 G1055 | S418-A426 CarbonylContact C-O 3.54Å; S418-A426 WeakPolarHBondContact CA-O 3.33Å; S418-A426 PolarHBondContact N-O 3.05Å; S418-A426 PolarHBondContact O-N 2.75Å; S418-D1051 PolarHBondContact OG-O 3.44Å; S418-G1055 WeakPolarHBondContact OG-CA 3.09Å; S418-G1055 PolarHBondContact OG-N 3.2Å; S418-G1055 VanDerWaalsContact OG-N 3.14Å |
| 419 | K | 95.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 21.9 Ų | 21.9 | 38% | 0.383 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.7 | 172.6 | -63.6 | -177.6 | 178.6 | -170.1 | 0 | 110.6 | N424 D1051 Y1054 | K419-N424 CarbonylContact C-O 3.46Å; K419-N424 WeakPolarHBondContact CA-O 3.39Å; K419-D1051 PolarHBondContact O-N 2.78Å; K419-Y1054 HydrophobicContact CB-CD1 4.45Å; K419-Y1054 HydrophobicContact CD-CE1 3.97Å; K419-Y1054 WeakPolarHBondContact CE-OH 3.46Å; K419-Y1054 HydrophobicContact CG-CD1 4.16Å; K419-Y1054 HydrophobicContact CG-CE1 3.81Å |
| 420 | D | 95.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 173.8 | 166.4 | 77.4 | 5 | 0 | 0 | 0 | 111.7 | A422 G423 N424 A426 V1047 K1048 R1049 | D420-A422 PolarHBondContact O-N 3.22Å; D420-A422 VanDerWaalsContact O-N 3.16Å; D420-A422 WeakPolarHBondContact OD1-CA 3.15Å; D420-A422 WeakPolarHBondContact OD1-CB 3.17Å; D420-A422 PolarHBondContact OD1-N 2.76Å; D420-G423 WeakPolarHBondContact O-CA 3.32Å; D420-G423 PolarHBondContact O-N 2.61Å; D420-G423 PolarHBondContact OD1-N 2.96Å; D420-N424 PolarHBondContact N-O 3.08Å; D420-N424 WeakPolarHBondContact OD1-CB 3.32Å; D420-N424 PolarHBondContact OD1-N 3.05Å; D420-N424 PolarHBondContact OD1-ND2 3.23Å; D420-N424 PolarHBondContact OD2-ND2 3.13Å; D420-A426 HydrophobicContact CB-CB 4.23Å; D420-V1047 HydrophobicContact CB-CB 4.19Å; D420-K1048 HydrophobicContact CB-CB 3.97Å; D420-K1048 WeakPolarHBondContact CB-O 3.5Å; D420-K1048 PolarHBondContact OD2-N 3.23Å; D420-R1049 CarbonylContact C-O 3.54Å; D420-R1049 WeakPolarHBondContact CA-O 2.98Å |
| 421 | A | 94.1 | Very high | 94.9 | Very high | 78 Ų | 78 | 22.1 Ų | 22.1 | 65% | 0.645 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1048 R1049 | A421-K1048 HydrophobicContact CB-CB 4.12Å; A421-R1049 PolarHBondContact N-O 3.21Å |
| 422 | A | 91.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 23.9 Ų | 23.9 | 50% | 0.496 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D420 K1048 | D420-A422 PolarHBondContact O-N 3.22Å; D420-A422 VanDerWaalsContact O-N 3.16Å; D420-A422 WeakPolarHBondContact OD1-CA 3.15Å; D420-A422 WeakPolarHBondContact OD1-CB 3.17Å; D420-A422 PolarHBondContact OD1-N 2.76Å; A422-K1048 HydrophobicContact CB-CD 3.83Å; A422-K1048 HydrophobicContact CB-CG 4.07Å |
| 423 | G | 92.7 | Very high | 94.7 | Very high | 46 Ų | 46 | 27 Ų | 27 | 47% | 0.474 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 86.1 | 4.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D420 | D420-G423 WeakPolarHBondContact O-CA 3.32Å; D420-G423 PolarHBondContact O-N 2.61Å; D420-G423 PolarHBondContact OD1-N 2.96Å |
| 424 | N | 93.1 | Very high | 94.7 | Very high | 77 Ų | 77 | 27 Ų | 27 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | trans | -72.9 | 151.3 | 176.7 | -51.6 | -53.4 | 0 | 0 | 0 | 110.5 | K419 D420 A426 | K419-N424 CarbonylContact C-O 3.46Å; K419-N424 WeakPolarHBondContact CA-O 3.39Å; D420-N424 PolarHBondContact N-O 3.08Å; D420-N424 WeakPolarHBondContact OD1-CB 3.32Å; D420-N424 PolarHBondContact OD1-N 3.05Å; D420-N424 PolarHBondContact OD1-ND2 3.23Å; D420-N424 PolarHBondContact OD2-ND2 3.13Å; N424-A426 PolarHBondContact O-N 3.22Å | ||
| 425 | T | 94 | Very high | 94.5 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 127.6 | 171.1 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | V417 V1064 | V417-T425 HydrophobicContact CG1-CG2 3.73Å; T425-V1064 HydrophobicContact CG2-CG1 4.35Å; T425-V1064 HydrophobicContact CG2-CG2 3.97Å |
| 426 | A | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S418 D420 N424 V1047 L1050 | S418-A426 CarbonylContact C-O 3.54Å; S418-A426 WeakPolarHBondContact CA-O 3.33Å; S418-A426 PolarHBondContact N-O 3.05Å; S418-A426 PolarHBondContact O-N 2.75Å; D420-A426 HydrophobicContact CB-CB 4.23Å; N424-A426 PolarHBondContact O-N 3.22Å; A426-V1047 HydrophobicContact CB-CB 4.19Å; A426-V1047 HydrophobicContact CB-CG1 4.02Å; A426-V1047 HydrophobicContact CB-CG2 4.26Å; A426-L1050 HydrophobicContact CB-CD1 4.16Å; A426-L1050 HydrophobicContact CB-CD2 4.09Å; A426-L1050 HydrophobicContact CB-CG 3.87Å |
| 427 | L | 97 | Very high | 93.7 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.2 | -177 | -53.2 | -176.3 | 0 | 0 | 0 | 111.7 | P230 Q234 L237 E238 L241 I415 V417 L1050 | P230-L427 WeakPolarHBondContact CB-O 3.46Å; Q234-L427 PolarHBondContact NE2-O 3.07Å; L237-L427 HydrophobicContact CB-CB 3.79Å; L237-L427 HydrophobicContact CB-CD1 4.13Å; L237-L427 HydrophobicContact CD1-CB 4.27Å; L237-L427 WeakPolarHBondContact CD1-O 3.5Å; E238-L427 VanDerWaalsContact CA-CD1 3.45Å; E238-L427 HydrophobicContact CB-CD1 3.81Å; E238-L427 HydrophobicContact CG-CD1 4.41Å; L241-L427 HydrophobicContact CD2-CD1 4.21Å; L241-L427 HydrophobicContact CD2-CD2 3.79Å; I415-L427 HydrophobicContact CG2-CB 4.41Å; V417-L427 HydrophobicContact CB-CD2 4.4Å; V417-L427 HydrophobicContact CG2-CD2 3.7Å; L427-L1050 VanDerWaalsContact O-CD2 3.25Å; L427-L1050 WeakPolarHBondContact O-CD2 3.5Å |
| 428 | R | 96.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 168.2 | 175.8 | 57.9 | 176.7 | -69.6 | -94 | 8.1 | 113.2 | P230 I415 G416 A430 L1050 D1052 D1056 | P230-R428 HydrophobicContact CB-CB 4.31Å; I415-R428 WeakPolarHBondContact CA-O 3.21Å; G416-R428 PolarHBondContact N-O 3.36Å; G416-R428 PolarHBondContact O-N 3.23Å; R428-A430 PolarHBondContact O-N 3.01Å; R428-L1050 HydrophobicContact CB-CD2 3.59Å; R428-L1050 HydrophobicContact CG-CD2 4.16Å; R428-D1052 IonicContact CZ-OD1 3.94Å; R428-D1052 IonicContact NE-OD1 3.66Å; R428-D1052 PolarHBondContact NE-OD1 3.14Å; R428-D1052 PolarHBondContact NH1-O 2.96Å; R428-D1052 IonicContact NH2-OD1 3.34Å; R428-D1052 PolarHBondContact NH2-OD1 3.27Å; R428-D1056 IonicContact CZ-OD1 3.13Å; R428-D1056 IonicContact NH1-OD1 2.58Å; R428-D1056 PolarHBondContact NH1-OD1 3.28Å; R428-D1056 IonicContact NH1-OD2 2.61Å; R428-D1056 IonicContact NH2-OD1 3.66Å |
| 429 | M | 95.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.9 | 162.2 | -61.8 | -172.4 | -63.3 | 0 | 0 | 110.1 | T226 P227 Y228 R413 I414 I415 Q432 | T226-M429 HydrophobicContact CG2-CE 4.05Å; T226-M429 HydrophobicContact CG2-SD 3.78Å; P227-M429 HydrophobicContact CG-CG 4.13Å; P227-M429 HydrophobicContact CG-SD 4.15Å; Y228-M429 HydrophobicContact CD1-CE 3.78Å; Y228-M429 HydrophobicContact CE1-CE 4.26Å; R413-M429 WeakPolarHBondContact CD-SD 3.44Å; R413-M429 HydrophobicContact CG-SD 3.94Å; I414-M429 CarbonylContact O-C 3.54Å; I414-M429 WeakPolarHBondContact O-CA 3.33Å; I415-M429 HydrophobicContact CD1-CG 4.12Å; M429-Q432 HydrophobicContact CB-CG 3.87Å; M429-Q432 PolarHBondContact O-NE2 2.88Å |
| 430 | A | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -102.9 | 150.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | I414 R428 Q432 R434 L1059 | I414-A430 PolarHBondContact O-N 2.81Å; R428-A430 PolarHBondContact O-N 3.01Å; A430-Q432 VanDerWaalsContact C-N 3.26Å; A430-Q432 PolarHBondContact O-N 2.82Å; A430-R434 PolarHBondContact O-NH2 2.97Å; A430-L1059 HydrophobicContact CB-CD1 3.68Å | ||
| 431 | M | 92.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | trans | 55.1 | 39.8 | 176.6 | -61.1 | -67.7 | -61.3 | 0 | 0 | 113 | R408 T433 R434 D1056 L1059 | R408-M431 HydrophobicContact CG-CE 4.32Å; M431-T433 PolarHBondContact O-N 3.18Å; M431-T433 VanDerWaalsContact O-N 3.08Å; M431-R434 VanDerWaalsContact CB-NE 3.3Å; M431-R434 WeakPolarHBondContact O-CG 3.31Å; M431-R434 PolarHBondContact O-N 3.09Å; M431-R434 VanDerWaalsContact O-N 3.13Å; M431-R434 PolarHBondContact O-NE 3.05Å; M431-R434 PolarHBondContact O-NH2 2.81Å; M431-D1056 PolarHBondContact N-OD1 3.03Å; M431-D1056 HydrophobicContact SD-CB 4.31Å; M431-L1059 HydrophobicContact CG-CD1 3.95Å; M431-L1059 HydrophobicContact CG-CD2 4.25Å | ||
| 432 | Q | 92.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.5 | -19.3 | -175.2 | -66.3 | 179.6 | 65.4 | 0 | 0 | 113 | M429 A430 R434 E435 I438 | M429-Q432 HydrophobicContact CB-CG 3.87Å; M429-Q432 PolarHBondContact O-NE2 2.88Å; A430-Q432 VanDerWaalsContact C-N 3.26Å; A430-Q432 PolarHBondContact O-N 2.82Å; Q432-R434 PolarHBondContact O-N 3.28Å; Q432-E435 WeakPolarHBondContact O-CB 3.45Å; Q432-E435 PolarHBondContact O-N 3.15Å; Q432-I438 HydrophobicContact CB-CD1 4.18Å |
| 433 | T | 91.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 40.2 Ų | 40.2 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -59.1 | -12.4 | 173.4 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | M431 E435 I438 R439 | M431-T433 PolarHBondContact O-N 3.18Å; M431-T433 VanDerWaalsContact O-N 3.08Å; T433-E435 VanDerWaalsContact C-N 3.32Å; T433-I438 HydrophobicContact CG2-CD1 4.31Å; T433-I438 HydrophobicContact CG2-CG2 4.49Å; T433-R439 WeakPolarHBondContact O-CD 3.2Å; T433-R439 WeakPolarHBondContact O-CG 3.4Å |
| 434 | R | 94.7 | Very high | 92.9 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -76.4 | -19.5 | 173.3 | -66 | 173.8 | -64.2 | 102 | 7.5 | 113.6 | K407 M410 G412 A430 M431 Q432 A443 N444 | K407-R434 WeakPolarHBondContact O-CD 3.45Å; M410-R434 PolarHBondContact O-NH1 3.05Å; G412-R434 PolarHBondContact O-NH1 2.84Å; A430-R434 PolarHBondContact O-NH2 2.97Å; M431-R434 VanDerWaalsContact CB-NE 3.3Å; M431-R434 WeakPolarHBondContact O-CG 3.31Å; M431-R434 PolarHBondContact O-N 3.09Å; M431-R434 VanDerWaalsContact O-N 3.13Å; M431-R434 PolarHBondContact O-NE 3.05Å; M431-R434 PolarHBondContact O-NH2 2.81Å; Q432-R434 PolarHBondContact O-N 3.28Å; R434-A443 WeakPolarHBondContact O-CA 3.1Å; R434-N444 PolarHBondContact O-N 3.44Å |
| 435 | E | 92.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -92.8 | 162.2 | -164.9 | -58.4 | -180 | -142.7 | 0 | 0 | 112.6 | Q432 T433 H437 I438 R439 | Q432-E435 WeakPolarHBondContact O-CB 3.45Å; Q432-E435 PolarHBondContact O-N 3.15Å; T433-E435 VanDerWaalsContact C-N 3.32Å; E435-H437 VanDerWaalsContact C-N 3.29Å; E435-H437 PolarHBondContact O-N 3.04Å; E435-H437 IonicContact OE2-CE1 3.36Å; E435-H437 IonicContact OE2-ND1 2.79Å; E435-I438 PolarHBondContact O-N 3.44Å; E435-R439 PolarHBondContact O-N 3.41Å |
| 436 | Q | 89.7 | Confident | 93.2 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -35.7 | -173.2 | 59.7 | 75.2 | 17.7 | 0 | 0 | 113.9 | I438 R440 A443 C448 H718 G719 T720 A723 | Q436-I438 PolarHBondContact O-N 3.36Å; Q436-R440 WeakPolarHBondContact O-CA 3.29Å; Q436-R440 PolarHBondContact O-N 3.18Å; Q436-A443 HydrophobicContact CB-CB 4.34Å; Q436-C448 HydrophobicContact CG-CB 4.35Å; Q436-C448 PolarHBondContact NE2-SG 3.44Å; Q436-C448 VanDerWaalsContact NE2-SG 3.38Å; Q436-H718 PolarHBondContact NE2-CE1 3.5Å; Q436-H718 PolarHBondContact OE1-CE1 3Å; Q436-G719 WeakPolarHBondContact O-CA 3.44Å; Q436-T720 HydrophobicContact CB-CG2 4.44Å; Q436-T720 HydrophobicContact CG-CG2 3.75Å; Q436-A723 HydrophobicContact CB-CB 4.39Å |
| 437 | H | 86.9 | Confident | 93.2 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 29% | 0.287 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.9 | -18.7 | -174.7 | 64 | -85.9 | 0 | 0 | 0 | 112.9 | E435 | E435-H437 VanDerWaalsContact C-N 3.29Å; E435-H437 PolarHBondContact O-N 3.04Å; E435-H437 IonicContact OE2-CE1 3.36Å; E435-H437 IonicContact OE2-ND1 2.79Å |
| 438 | I | 88.4 | Confident | 93.1 | Very high | 90 Ų | 90 | 35.3 Ų | 35.3 | 46% | 0.462 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -105.4 | -49.5 | 175.1 | -54.7 | -171 | 0 | 0 | 0 | 111.2 | Q432 T433 E435 Q436 | Q432-I438 HydrophobicContact CB-CD1 4.18Å; T433-I438 HydrophobicContact CG2-CD1 4.31Å; T433-I438 HydrophobicContact CG2-CG2 4.49Å; E435-I438 PolarHBondContact O-N 3.44Å; Q436-I438 PolarHBondContact O-N 3.36Å |
| 439 | R | 90.6 | Very high | 92.9 | Very high | 108 Ų | 108 | 35.2 Ų | 35.2 | 41% | 0.408 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -97.6 | -4.8 | -170.5 | -85 | -175 | 80.9 | -163.5 | -1.1 | 115.6 | T433 E435 E441 K442 A443 | T433-R439 WeakPolarHBondContact O-CD 3.2Å; T433-R439 WeakPolarHBondContact O-CG 3.4Å; E435-R439 PolarHBondContact O-N 3.41Å; R439-E441 PolarHBondContact O-N 2.92Å; R439-K442 HydrophobicContact CB-CB 4.29Å; R439-K442 PolarHBondContact NE-O 3.3Å; R439-K442 VanDerWaalsContact NE-O 3.14Å; R439-K442 PolarHBondContact NH1-O 2.85Å; R439-K442 PolarHBondContact NH2-O 2.76Å; R439-K442 WeakPolarHBondContact O-CA 3.4Å; R439-K442 WeakPolarHBondContact O-CB 3.44Å; R439-K442 PolarHBondContact O-N 3.14Å; R439-A443 HydrophobicContact CB-CB 4.19Å; R439-A443 PolarHBondContact O-N 2.67Å |
| 440 | R | 91.9 | Very high | 92.8 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | 49.4 | -125.1 | 174.9 | -61.5 | -178.5 | 71.5 | 86.2 | -1.1 | 111.4 | Q436 K442 A443 A717 P722 | Q436-R440 WeakPolarHBondContact O-CA 3.29Å; Q436-R440 PolarHBondContact O-N 3.18Å; R440-K442 PolarHBondContact O-N 3.16Å; R440-K442 VanDerWaalsContact O-N 3.08Å; R440-A443 WeakPolarHBondContact O-CB 3.43Å; R440-A443 PolarHBondContact O-N 3.25Å; R440-A717 PolarHBondContact NH1-O 3.42Å; R440-A717 PolarHBondContact NH2-O 3.05Å; R440-P722 HydrophobicContact CB-CB 4.31Å; R440-P722 HydrophobicContact CB-CG 3.63Å; R440-P722 HydrophobicContact CG-CG 4.21Å |
| 441 | E | 90 | Very high | 93 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -61.4 | -16.7 | 177.7 | 70.7 | -70.9 | 170 | 0 | 0 | 114.5 | R439 P722 H726 V732 | R439-E441 PolarHBondContact O-N 2.92Å; E441-P722 HydrophobicContact CB-CB 3.99Å; E441-H726 HydrophobicContact CB-CB 4.21Å; E441-H726 PolarHBondContact O-CD2 2.67Å; E441-V732 HydrophobicContact CB-CG2 4.33Å |
| 442 | K | 93.2 | Very high | 93.2 | Very high | 120 Ų | 120 | 33.8 Ų | 33.8 | 52% | 0.522 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -93.3 | 1 | 176 | -55.4 | -56.2 | -180 | -165.1 | 0 | 113.1 | R439 R440 | R439-K442 HydrophobicContact CB-CB 4.29Å; R439-K442 PolarHBondContact NE-O 3.3Å; R439-K442 VanDerWaalsContact NE-O 3.14Å; R439-K442 PolarHBondContact NH1-O 2.85Å; R439-K442 PolarHBondContact NH2-O 2.76Å; R439-K442 WeakPolarHBondContact O-CA 3.4Å; R439-K442 WeakPolarHBondContact O-CB 3.44Å; R439-K442 PolarHBondContact O-N 3.14Å; R440-K442 PolarHBondContact O-N 3.16Å; R440-K442 VanDerWaalsContact O-N 3.08Å |
| 443 | A | 94.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 12% | 0.124 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -62.4 | 158.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R434 Q436 R439 R440 S445 | R434-A443 WeakPolarHBondContact O-CA 3.1Å; Q436-A443 HydrophobicContact CB-CB 4.34Å; R439-A443 HydrophobicContact CB-CB 4.19Å; R439-A443 PolarHBondContact O-N 2.67Å; R440-A443 WeakPolarHBondContact O-CB 3.43Å; R440-A443 PolarHBondContact O-N 3.25Å; A443-S445 WeakPolarHBondContact CB-O 3.38Å; A443-S445 PolarHBondContact O-N 3.45Å |
| 444 | N | 95.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 29 Ų | 29 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -72.8 | -21.6 | -179.7 | -69.4 | -13.7 | 0 | 0 | 0 | 113 | R276 R408 S409 M410 R434 | R276-N444 VanDerWaalsContact CZ-O 3.31Å; R276-N444 PolarHBondContact NH1-O 2.77Å; R276-N444 PolarHBondContact NH2-O 3.39Å; R408-N444 PolarHBondContact O-ND2 2.73Å; S409-N444 VanDerWaalsContact CA-ND2 3.33Å; S409-N444 WeakPolarHBondContact CA-ND2 3.48Å; S409-N444 PolarHBondContact O-ND2 3.07Å; M410-N444 PolarHBondContact O-ND2 3.41Å; R434-N444 PolarHBondContact O-N 3.44Å |
| 445 | S | 96.6 | Very high | 94 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -159.8 | 161.6 | -178.3 | 173 | 0 | 0 | 0 | 0 | 108.9 | E269 A443 I447 | E269-S445 WeakPolarHBondContact OE1-CB 3.4Å; E269-S445 PolarHBondContact OE1-OG 2.84Å; A443-S445 WeakPolarHBondContact CB-O 3.38Å; A443-S445 PolarHBondContact O-N 3.45Å; S445-I447 VanDerWaalsContact C-N 3.33Å; S445-I447 WeakPolarHBondContact OG-CG2 3.47Å; S445-I447 PolarHBondContact OG-N 2.92Å; S445-I447 VanDerWaalsContact OG-N 3.1Å | ||
| 446 | N | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | trans | -83.9 | -5.6 | 170.7 | 72.8 | -16.7 | 0 | 0 | 0 | 113.1 | C448 A686 T720 A723 S724 M727 | N446-C448 PolarHBondContact O-N 2.85Å; N446-A686 HydrophobicContact CB-CB 4.33Å; N446-A686 PolarHBondContact ND2-O 2.87Å; N446-A686 WeakPolarHBondContact O-CB 3.19Å; N446-T720 WeakPolarHBondContact O-CG2 3.43Å; N446-A723 HydrophobicContact CB-CB 3.73Å; N446-S724 PolarHBondContact ND2-OG 3.39Å; N446-M727 HydrophobicContact CB-CE 3.82Å; N446-M727 WeakPolarHBondContact OD1-CE 3.4Å | ||
| 447 | I | 95.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.077 | 13% | 0.13 | C | C | . | . | trans | -56.7 | 132.5 | -175.3 | -165 | 173.2 | 0 | 0 | 0 | 112 | L260 L261 S445 | L260-I447 HydrophobicContact CB-CD1 4.44Å; L260-I447 HydrophobicContact CD2-CD1 3.83Å; L261-I447 HydrophobicContact CD2-CD1 4.31Å; L261-I447 HydrophobicContact CG-CD1 3.9Å; L261-I447 HydrophobicContact CG-CG1 4.35Å; S445-I447 VanDerWaalsContact C-N 3.33Å; S445-I447 WeakPolarHBondContact OG-CG2 3.47Å; S445-I447 PolarHBondContact OG-N 2.92Å; S445-I447 VanDerWaalsContact OG-N 3.1Å | ||
| 448 | C | 94.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 10% | 0.095 | 12% | 0.117 | C | C | . | . | trans | -125 | -79.9 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | R413 Q436 N446 S450 T720 | R413-C448 PolarHBondContact NH1-O 3.25Å; R413-C448 PolarHBondContact NH2-O 3.02Å; Q436-C448 HydrophobicContact CG-CB 4.35Å; Q436-C448 PolarHBondContact NE2-SG 3.44Å; Q436-C448 VanDerWaalsContact NE2-SG 3.38Å; N446-C448 PolarHBondContact O-N 2.85Å; C448-S450 PolarHBondContact O-N 2.95Å; C448-T720 HydrophobicContact CB-CG2 3.74Å | ||
| 449 | T | 92.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -63.7 | 132.4 | 164.7 | -45.1 | 0 | 0 | 0 | 0 | 109.2 | Y225 L261 H820 | Y225-T449 HydrophobicContact CE2-CG2 4.44Å; Y225-T449 PolarHBondContact OH-OG1 3.45Å; L261-T449 WeakPolarHBondContact CD2-O 3.23Å; T449-H820 PolarHBondContact OG1-NE2 2.77Å; T449-H820 VanDerWaalsContact OG1-NE2 3.15Å |
| 450 | S | 94 | Very high | 96.2 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | trans | -116.3 | -127 | 174 | 72.6 | 0 | 0 | 0 | 0 | 110.1 | S259 R413 C448 G830 G831 | S259-S450 PolarHBondContact OG-OG 3.18Å; R413-S450 PolarHBondContact NH2-OG 3.38Å; C448-S450 PolarHBondContact O-N 2.95Å; S450-G830 PolarHBondContact N-O 2.83Å; S450-G831 VanDerWaalsContact O-CA 3.32Å; S450-G831 WeakPolarHBondContact O-CA 3.34Å | ||
| 451 | Q | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -140.3 | 42.3 | -174.2 | -58.9 | -69.1 | 11 | 0 | 0 | 111.4 | S259 L260 L261 H396 A397 L453 L454 A455 | S259-Q451 PolarHBondContact OG-N 3.32Å; L260-Q451 VanDerWaalsContact O-CG 3.29Å; L260-Q451 WeakPolarHBondContact O-CG 3.35Å; L261-Q451 PolarHBondContact O-NE2 3.33Å; L261-Q451 VanDerWaalsContact O-NE2 3.1Å; H396-Q451 WeakPolarHBondContact O-CG 3.41Å; A397-Q451 HydrophobicContact CB-CB 3.91Å; Q451-L453 PolarHBondContact O-N 3.49Å; Q451-L454 HydrophobicContact CB-CD2 4.19Å; Q451-L454 PolarHBondContact O-N 3.02Å; Q451-L454 VanDerWaalsContact O-N 3.1Å; Q451-A455 PolarHBondContact O-N 2.64Å | ||
| 452 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.6 | -47.2 | -169.5 | 168.6 | 0 | 0 | 0 | 0 | 113.3 | L240 L454 A455 N456 G828 G831 | L240-V452 HydrophobicContact CD1-CG1 3.89Å; L240-V452 HydrophobicContact CD1-CG2 4.22Å; L240-V452 HydrophobicContact CD2-CB 4.49Å; L240-V452 HydrophobicContact CD2-CG1 4.04Å; L240-V452 HydrophobicContact CD2-CG2 4.39Å; L240-V452 HydrophobicContact CG-CG1 4.14Å; V452-L454 PolarHBondContact O-N 3.13Å; V452-A455 WeakPolarHBondContact O-CB 3.34Å; V452-A455 PolarHBondContact O-N 2.97Å; V452-N456 PolarHBondContact O-N 3.15Å; V452-G828 WeakPolarHBondContact CB-O 3.36Å; V452-G828 WeakPolarHBondContact CG1-O 3.44Å; V452-G831 PolarHBondContact N-O 3.25Å |
| 453 | L | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 4.4 Ų | 4.4 | 2% | 0.021 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.6 | -39.3 | 179.2 | -179.6 | 63.8 | 0 | 0 | 0 | 111.4 | M215 L216 W221 Q451 N456 I457 G828 G831 | M215-L453 HydrophobicContact CE-CD1 3.74Å; M215-L453 HydrophobicContact CG-CD1 4.15Å; L216-L453 HydrophobicContact CD1-CD2 4.01Å; W221-L453 HydrophobicContact CB-CD1 4.43Å; Q451-L453 PolarHBondContact O-N 3.49Å; L453-N456 PolarHBondContact O-N 2.73Å; L453-I457 WeakPolarHBondContact O-CG1 3.16Å; L453-I457 PolarHBondContact O-N 3.28Å; L453-G828 PolarHBondContact N-O 2.88Å; L453-G831 WeakPolarHBondContact CB-O 3.39Å; L453-G831 PolarHBondContact N-O 3.49Å |
| 454 | L | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 6 Ų | 6 | 3% | 0.026 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -78.7 | -33.7 | -176.6 | -55.7 | -41.7 | 0 | 0 | 0 | 111.5 | V388 P395 A397 Q451 V452 N456 I457 A458 P832 | V388-L454 HydrophobicContact CG1-CD1 4.09Å; V388-L454 HydrophobicContact CG1-CG 4.47Å; P395-L454 HydrophobicContact CB-CD2 3.74Å; P395-L454 HydrophobicContact CB-CG 4.06Å; P395-L454 HydrophobicContact CG-CD1 4.13Å; P395-L454 HydrophobicContact CG-CD2 3.83Å; P395-L454 HydrophobicContact CG-CG 4.01Å; A397-L454 HydrophobicContact CB-CB 4.21Å; Q451-L454 HydrophobicContact CB-CD2 4.19Å; Q451-L454 PolarHBondContact O-N 3.02Å; Q451-L454 VanDerWaalsContact O-N 3.1Å; V452-L454 PolarHBondContact O-N 3.13Å; L454-N456 VanDerWaalsContact C-N 3.3Å; L454-I457 HydrophobicContact CD1-CD1 4.11Å; L454-I457 PolarHBondContact O-N 2.89Å; L454-A458 PolarHBondContact O-N 2.84Å; L454-P832 HydrophobicContact CD2-CB 3.89Å; L454-P832 HydrophobicContact CD2-CG 4.1Å |
| 455 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L240 F243 A397 Q451 V452 A458 S459 | L240-A455 HydrophobicContact CD2-CB 3.89Å; F243-A455 HydrophobicContact CB-CB 4.5Å; F243-A455 HydrophobicContact CD1-CB 4.01Å; F243-A455 HydrophobicContact CD2-CB 3.96Å; F243-A455 WeakPolarHBondContact CD2-O 3.29Å; F243-A455 HydrophobicContact CE1-CB 4.18Å; F243-A455 HydrophobicContact CE2-CB 4.12Å; F243-A455 HydrophobicContact CG-CB 3.89Å; F243-A455 HydrophobicContact CZ-CB 4.22Å; A397-A455 HydrophobicContact CB-CB 3.71Å; Q451-A455 PolarHBondContact O-N 2.64Å; V452-A455 WeakPolarHBondContact O-CB 3.34Å; V452-A455 PolarHBondContact O-N 2.97Å; A455-A458 PolarHBondContact O-N 3.47Å; A455-S459 PolarHBondContact O-N 3.29Å |
| 456 | N | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | 175.4 | -69.9 | -19.1 | 0 | 0 | 0 | 112.3 | M215 A239 L240 V452 L453 L454 A458 S459 L460 | M215-N456 HydrophobicContact CE-CB 3.14Å; M215-N456 HydrophobicContact SD-CB 4.07Å; A239-N456 VanDerWaalsContact C-OD1 3.29Å; A239-N456 HydrophobicContact CB-CB 4.07Å; A239-N456 VanDerWaalsContact CB-OD1 3.23Å; A239-N456 WeakPolarHBondContact CB-OD1 3.44Å; L240-N456 WeakPolarHBondContact CG-OD1 3.48Å; L240-N456 PolarHBondContact N-OD1 3.3Å; V452-N456 PolarHBondContact O-N 3.15Å; L453-N456 PolarHBondContact O-N 2.73Å; L454-N456 VanDerWaalsContact C-N 3.3Å; N456-A458 VanDerWaalsContact C-N 3.32Å; N456-A458 PolarHBondContact O-N 3.16Å; N456-S459 PolarHBondContact O-N 3.47Å; N456-S459 PolarHBondContact O-OG 3.39Å; N456-L460 WeakPolarHBondContact O-CB 3.42Å; N456-L460 VanDerWaalsContact O-CG 3.32Å; N456-L460 WeakPolarHBondContact O-CG 3.37Å; N456-L460 PolarHBondContact O-N 3.06Å |
| 457 | I | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 171.3 | -70.1 | 167.4 | 0 | 0 | 0 | 110.2 | L207 I211 M215 L216 G387 V388 L453 L454 S459 L460 Y461 | L207-I457 HydrophobicContact CD1-CG2 3.93Å; I211-I457 HydrophobicContact CG2-CB 4.47Å; I211-I457 HydrophobicContact CG2-CG1 4.18Å; I211-I457 HydrophobicContact CG2-CG2 4.09Å; M215-I457 HydrophobicContact CG-CG1 4.28Å; M215-I457 HydrophobicContact SD-CG1 4.37Å; L216-I457 HydrophobicContact CB-CD1 4.05Å; L216-I457 HydrophobicContact CD1-CD1 4.15Å; L216-I457 HydrophobicContact CG-CD1 4.48Å; G387-I457 WeakPolarHBondContact O-CG2 3.26Å; V388-I457 HydrophobicContact CG2-CB 4.22Å; V388-I457 HydrophobicContact CG2-CG2 3.8Å; L453-I457 WeakPolarHBondContact O-CG1 3.16Å; L453-I457 PolarHBondContact O-N 3.28Å; L454-I457 HydrophobicContact CD1-CD1 4.11Å; L454-I457 PolarHBondContact O-N 2.89Å; I457-S459 VanDerWaalsContact C-N 3.32Å; I457-S459 PolarHBondContact O-N 2.84Å; I457-L460 PolarHBondContact O-N 2.74Å; I457-Y461 WeakPolarHBondContact O-CB 3.32Å; I457-Y461 PolarHBondContact O-N 3.45Å |
| 458 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.4 | -36.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F243 A383 F386 L454 A455 N456 A462 | F243-A458 HydrophobicContact CD2-CB 4.06Å; F243-A458 HydrophobicContact CE2-CB 3.93Å; A383-A458 HydrophobicContact CB-CB 3.99Å; F386-A458 HydrophobicContact CB-CB 3.87Å; F386-A458 VanDerWaalsContact O-CA 3.28Å; F386-A458 WeakPolarHBondContact O-CA 3.46Å; L454-A458 PolarHBondContact O-N 2.84Å; A455-A458 PolarHBondContact O-N 3.47Å; N456-A458 VanDerWaalsContact C-N 3.32Å; N456-A458 PolarHBondContact O-N 3.16Å; A458-A462 PolarHBondContact O-N 3.27Å |
| 459 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.2 | -43.5 | 175.2 | 80.4 | 0 | 0 | 0 | 0 | 111.9 | A239 A455 N456 I457 Y461 A462 V463 | A239-S459 VanDerWaalsContact O-CB 3.3Å; A239-S459 WeakPolarHBondContact O-CB 3.43Å; A239-S459 PolarHBondContact O-OG 2.94Å; A455-S459 PolarHBondContact O-N 3.29Å; N456-S459 PolarHBondContact O-N 3.47Å; N456-S459 PolarHBondContact O-OG 3.39Å; I457-S459 VanDerWaalsContact C-N 3.32Å; I457-S459 PolarHBondContact O-N 2.84Å; S459-Y461 VanDerWaalsContact C-N 3.33Å; S459-Y461 PolarHBondContact O-N 2.96Å; S459-A462 WeakPolarHBondContact O-CB 3.17Å; S459-A462 PolarHBondContact O-N 2.99Å; S459-V463 VanDerWaalsContact O-CG2 3.31Å; S459-V463 WeakPolarHBondContact O-CG2 3.16Å; S459-V463 PolarHBondContact O-N 2.66Å |
| 460 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67 | -33.5 | 177.1 | -68.2 | -179.6 | 0 | 0 | 0 | 112.6 | I211 M215 N456 I457 A462 V463 Y464 M601 Y604 M605 | I211-L460 HydrophobicContact CD1-CB 3.79Å; I211-L460 HydrophobicContact CG1-CB 4.27Å; I211-L460 HydrophobicContact CG2-CD1 4.47Å; M215-L460 HydrophobicContact SD-CD1 3.28Å; M215-L460 WeakPolarHBondContact SD-CD1 3.23Å; M215-L460 HydrophobicContact SD-CG 4.39Å; N456-L460 WeakPolarHBondContact O-CB 3.42Å; N456-L460 VanDerWaalsContact O-CG 3.32Å; N456-L460 WeakPolarHBondContact O-CG 3.37Å; N456-L460 PolarHBondContact O-N 3.06Å; I457-L460 PolarHBondContact O-N 2.74Å; L460-A462 VanDerWaalsContact C-N 3.34Å; L460-V463 PolarHBondContact O-N 2.65Å; L460-Y464 WeakPolarHBondContact O-CB 3.05Å; L460-Y464 PolarHBondContact O-N 2.87Å; L460-M601 HydrophobicContact CD2-SD 4.22Å; L460-Y604 HydrophobicContact CD2-CD1 3.99Å; L460-Y604 HydrophobicContact CD2-CE1 3.89Å; L460-M605 HydrophobicContact CD1-CG 3.61Å; L460-M605 HydrophobicContact CD1-SD 3.66Å; L460-M605 HydrophobicContact CD2-CG 4.21Å |
| 461 | Y | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 171.2 | -178.2 | -87.9 | 0 | 0 | 0 | 110.8 | P208 M363 F386 G387 I457 S459 Y464 H465 L470 I473 E539 | P208-Y461 HydrophobicContact CG-CD2 4.02Å; P208-Y461 HydrophobicContact CG-CE2 4.39Å; M363-Y461 HydrophobicContact CE-CE1 4.33Å; F386-Y461 VanDerWaalsContact C-CG 3.44Å; F386-Y461 VanDerWaalsContact CA-CD1 3.48Å; F386-Y461 HydrophobicContact CB-CD1 3.63Å; F386-Y461 HydrophobicContact CB-CE1 4.25Å; F386-Y461 HydrophobicContact CB-CG 4.09Å; F386-Y461 HydrophobicContact CD1-CD1 4.01Å; F386-Y461 AromaticContact CD1-CE1 3.91Å; F386-Y461 HydrophobicContact CD1-CE1 3.91Å; F386-Y461 HydrophobicContact CD2-CD1 4.35Å; F386-Y461 AromaticContact CG-CD1 3.76Å; F386-Y461 HydrophobicContact CG-CD1 3.76Å; F386-Y461 HydrophobicContact CG-CE1 4.15Å; F386-Y461 WeakPolarHBondContact O-CB 3.4Å; G387-Y461 VanDerWaalsContact CA-CD2 3.45Å; I457-Y461 WeakPolarHBondContact O-CB 3.32Å; I457-Y461 PolarHBondContact O-N 3.45Å; S459-Y461 VanDerWaalsContact C-N 3.33Å; S459-Y461 PolarHBondContact O-N 2.96Å; Y461-Y464 PolarHBondContact O-N 2.71Å; Y461-H465 AromaticContact CD1-CD2 3.89Å; Y461-H465 AromaticContact CD2-CD2 3.83Å; Y461-H465 AromaticContact CD2-NE2 3.91Å; Y461-H465 AromaticContact CE1-CD2 3.66Å; Y461-H465 AromaticContact CE2-CD2 3.6Å; Y461-H465 AromaticContact CE2-NE2 3.45Å; Y461-H465 WeakPolarHBondContact CE2-NE2 3.29Å; Y461-H465 AromaticContact CG-CD2 3.98Å; Y461-H465 AromaticContact CZ-CD2 3.5Å; Y461-H465 AromaticContact CZ-NE2 3.68Å; Y461-H465 PolarHBondContact O-CD2 3.34Å; Y461-H465 PolarHBondContact O-N 2.86Å; Y461-H465 VanDerWaalsContact O-N 3.1Å; Y461-L470 HydrophobicContact CD1-CD2 3.9Å; Y461-L470 HydrophobicContact CE1-CD2 3.46Å; Y461-L470 VanDerWaalsContact CE1-CD2 3.46Å; Y461-I473 WeakPolarHBondContact OH-CD1 3.5Å; Y461-E539 PolarHBondContact OH-OE1 2.85Å; Y461-E539 PolarHBondContact OH-OE2 3.44Å; Y461-E539 VanDerWaalsContact OH-OE2 3.05Å |
| 462 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V246 F386 A458 S459 L460 G466 L470 L587 F592 | V246-A462 HydrophobicContact CG1-CB 4.36Å; V246-A462 HydrophobicContact CG2-CB 3.57Å; F386-A462 HydrophobicContact CD2-CB 4.36Å; F386-A462 HydrophobicContact CE2-CB 4.36Å; A458-A462 PolarHBondContact O-N 3.27Å; S459-A462 WeakPolarHBondContact O-CB 3.17Å; S459-A462 PolarHBondContact O-N 2.99Å; L460-A462 VanDerWaalsContact C-N 3.34Å; A462-G466 VanDerWaalsContact O-CA 3.32Å; A462-G466 WeakPolarHBondContact O-CA 3.28Å; A462-G466 PolarHBondContact O-N 3.39Å; A462-L470 HydrophobicContact CB-CD1 4.26Å; A462-L587 HydrophobicContact CB-CD1 4.41Å; A462-F592 HydrophobicContact CB-CD1 4.39Å; A462-F592 HydrophobicContact CB-CE1 4.38Å |
| 463 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | S459 L460 V591 F592 Y595 H596 M601 Y604 | S459-V463 VanDerWaalsContact O-CG2 3.31Å; S459-V463 WeakPolarHBondContact O-CG2 3.16Å; S459-V463 PolarHBondContact O-N 2.66Å; L460-V463 PolarHBondContact O-N 2.65Å; V463-V591 WeakPolarHBondContact CG1-O 3.31Å; V463-V591 HydrophobicContact CG2-CG2 4.22Å; V463-F592 HydrophobicContact CB-CD1 4.43Å; V463-F592 HydrophobicContact CG2-CD1 3.67Å; V463-F592 HydrophobicContact CG2-CE1 3.78Å; V463-Y595 HydrophobicContact CG1-CD2 3.73Å; V463-Y595 HydrophobicContact CG1-CG 4.32Å; V463-H596 PolarHBondContact O-CD2 2.74Å; V463-M601 HydrophobicContact CB-CE 3.91Å; V463-M601 HydrophobicContact CG1-CE 3.56Å; V463-Y604 HydrophobicContact CG1-CD1 4.21Å; V463-Y604 HydrophobicContact CG1-CE1 4.2Å |
| 464 | Y | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 22.4 Ų | 22.4 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.2 | -46.2 | -177.2 | -168 | -127.7 | 0 | 0 | 0 | 112.2 | P208 V210 L460 Y461 H596 M601 | P208-Y464 HydrophobicContact CB-CD1 4.03Å; P208-Y464 HydrophobicContact CB-CE1 4.08Å; P208-Y464 HydrophobicContact CG-CD1 3.96Å; P208-Y464 HydrophobicContact CG-CE1 4.39Å; V210-Y464 HydrophobicContact CG1-CE2 4.35Å; L460-Y464 WeakPolarHBondContact O-CB 3.05Å; L460-Y464 PolarHBondContact O-N 2.87Å; Y461-Y464 PolarHBondContact O-N 2.71Å; Y464-H596 WeakPolarHBondContact CE2-O 3.35Å; Y464-H596 PolarHBondContact O-CD2 3.16Å; Y464-H596 VanDerWaalsContact O-CD2 3.29Å; Y464-M601 HydrophobicContact CD2-CB 3.77Å; Y464-M601 HydrophobicContact CD2-CE 4.05Å; Y464-M601 HydrophobicContact CD2-CG 3.78Å; Y464-M601 HydrophobicContact CE2-CB 4.01Å; Y464-M601 HydrophobicContact CE2-CG 4.3Å; Y464-M601 HydrophobicContact CG-CE 4.32Å |
| 465 | H | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 26 Ų | 26 | 16% | 0.162 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -82.8 | -32 | -177.7 | -72 | -58.3 | 0 | 0 | 0 | 113 | Y461 G469 L470 | Y461-H465 AromaticContact CD1-CD2 3.89Å; Y461-H465 AromaticContact CD2-CD2 3.83Å; Y461-H465 AromaticContact CD2-NE2 3.91Å; Y461-H465 AromaticContact CE1-CD2 3.66Å; Y461-H465 AromaticContact CE2-CD2 3.6Å; Y461-H465 AromaticContact CE2-NE2 3.45Å; Y461-H465 WeakPolarHBondContact CE2-NE2 3.29Å; Y461-H465 AromaticContact CG-CD2 3.98Å; Y461-H465 AromaticContact CZ-CD2 3.5Å; Y461-H465 AromaticContact CZ-NE2 3.68Å; Y461-H465 PolarHBondContact O-CD2 3.34Å; Y461-H465 PolarHBondContact O-N 2.86Å; Y461-H465 VanDerWaalsContact O-N 3.1Å; H465-G469 WeakPolarHBondContact O-CA 3.35Å; H465-G469 PolarHBondContact O-N 3.43Å; H465-L470 HydrophobicContact CB-CD2 3.92Å; H465-L470 HydrophobicContact CB-CG 3.96Å |
| 466 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | 59.7 | -178.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A462 V468 G469 L470 F592 | A462-G466 VanDerWaalsContact O-CA 3.32Å; A462-G466 WeakPolarHBondContact O-CA 3.28Å; A462-G466 PolarHBondContact O-N 3.39Å; G466-V468 VanDerWaalsContact C-N 3.26Å; G466-V468 PolarHBondContact O-N 3.32Å; G466-G469 PolarHBondContact O-N 2.9Å; G466-L470 WeakPolarHBondContact O-CB 3.11Å; G466-L470 VanDerWaalsContact O-CG 3.3Å; G466-L470 WeakPolarHBondContact O-CG 3.13Å; G466-L470 PolarHBondContact O-N 3.47Å; G466-F592 WeakPolarHBondContact CA-O 3.12Å |
| 467 | P | 98.3 | Very high | 98.6 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.2 | -34.7 | -179 | 22 | -32.2 | 0 | 0 | 0 | 113.2 | K471 I586 L587 | P467-K471 VanDerWaalsContact O-CB 3.29Å; P467-K471 WeakPolarHBondContact O-CB 3.41Å; P467-K471 VanDerWaalsContact O-CG 3.24Å; P467-K471 WeakPolarHBondContact O-CG 3.25Å; P467-K471 PolarHBondContact O-N 3.43Å; P467-I586 HydrophobicContact CB-CG1 4.07Å; P467-I586 WeakPolarHBondContact CB-O 3.26Å; P467-L587 HydrophobicContact CB-CB 4.29Å; P467-L587 HydrophobicContact CG-CB 4.41Å |
| 468 | V | 98.2 | Very high | 98.6 | Very high | 106 Ų | 106 | 30.8 Ų | 30.8 | 64% | 0.642 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -71.6 | -45.6 | -179.8 | 179 | 0 | 0 | 0 | 0 | 111.6 | G466 R472 | G466-V468 VanDerWaalsContact C-N 3.26Å; G466-V468 PolarHBondContact O-N 3.32Å; V468-R472 PolarHBondContact O-N 2.89Å |
| 469 | G | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | H465 G466 R472 I473 | H465-G469 WeakPolarHBondContact O-CA 3.35Å; H465-G469 PolarHBondContact O-N 3.43Å; G466-G469 PolarHBondContact O-N 2.9Å; G469-R472 WeakPolarHBondContact O-CB 3.45Å; G469-R472 PolarHBondContact O-N 3.15Å; G469-I473 WeakPolarHBondContact O-CG1 2.95Å; G469-I473 PolarHBondContact O-N 2.99Å |
| 470 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.1 | -66.2 | 177 | 0 | 0 | 0 | 111.6 | V366 F386 Y461 A462 H465 G466 R472 I473 A474 L587 | V366-L470 HydrophobicContact CG1-CB 4.23Å; V366-L470 HydrophobicContact CG2-CB 4.21Å; F386-L470 HydrophobicContact CE1-CD2 4.3Å; F386-L470 HydrophobicContact CE2-CD1 4.39Å; F386-L470 HydrophobicContact CZ-CD1 4.2Å; F386-L470 HydrophobicContact CZ-CD2 4.34Å; Y461-L470 HydrophobicContact CD1-CD2 3.9Å; Y461-L470 HydrophobicContact CE1-CD2 3.46Å; Y461-L470 VanDerWaalsContact CE1-CD2 3.46Å; A462-L470 HydrophobicContact CB-CD1 4.26Å; H465-L470 HydrophobicContact CB-CD2 3.92Å; H465-L470 HydrophobicContact CB-CG 3.96Å; G466-L470 WeakPolarHBondContact O-CB 3.11Å; G466-L470 VanDerWaalsContact O-CG 3.3Å; G466-L470 WeakPolarHBondContact O-CG 3.13Å; G466-L470 PolarHBondContact O-N 3.47Å; L470-R472 VanDerWaalsContact C-N 3.28Å; L470-R472 PolarHBondContact O-N 3.23Å; L470-I473 PolarHBondContact O-N 2.85Å; L470-I473 VanDerWaalsContact O-N 3.14Å; L470-A474 PolarHBondContact O-N 3.31Å; L470-L587 HydrophobicContact CD1-CD1 3.45Å; L470-L587 VanDerWaalsContact CD1-CD1 3.45Å |
| 471 | K | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.7 | -39.4 | 174.1 | -80.1 | 179.3 | 179.6 | -174.9 | 0 | 111.8 | V366 P467 N475 | V366-K471 HydrophobicContact CG1-CB 4.23Å; V366-K471 HydrophobicContact CG1-CG 3.59Å; P467-K471 VanDerWaalsContact O-CB 3.29Å; P467-K471 WeakPolarHBondContact O-CB 3.41Å; P467-K471 VanDerWaalsContact O-CG 3.24Å; P467-K471 WeakPolarHBondContact O-CG 3.25Å; P467-K471 PolarHBondContact O-N 3.43Å; K471-N475 VanDerWaalsContact O-CB 3.27Å; K471-N475 WeakPolarHBondContact O-CB 3.49Å; K471-N475 PolarHBondContact O-N 2.84Å; K471-N475 PolarHBondContact O-ND2 2.88Å |
| 472 | R | 98.5 | Very high | 98.5 | Very high | 159 Ų | 159 | 35.2 Ų | 35.2 | 60% | 0.6 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -64 | -42.8 | 175.5 | -179.8 | 176.5 | 61.1 | -124.3 | -1.6 | 111.8 | V468 G469 L470 R476 | V468-R472 PolarHBondContact O-N 2.89Å; G469-R472 WeakPolarHBondContact O-CB 3.45Å; G469-R472 PolarHBondContact O-N 3.15Å; L470-R472 VanDerWaalsContact C-N 3.28Å; L470-R472 PolarHBondContact O-N 3.23Å; R472-R476 VanDerWaalsContact O-CB 3.3Å; R472-R476 WeakPolarHBondContact O-CB 3.26Å; R472-R476 PolarHBondContact O-N 3.43Å |
| 473 | I | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -53.3 | 177.6 | -67.6 | 156.7 | 0 | 0 | 0 | 110.1 | M363 Y461 G469 L470 N475 R476 I477 E539 | M363-I473 HydrophobicContact CE-CB 4.37Å; M363-I473 HydrophobicContact CE-CG2 3.56Å; M363-I473 HydrophobicContact SD-CB 4.42Å; M363-I473 HydrophobicContact SD-CG2 3.92Å; Y461-I473 WeakPolarHBondContact OH-CD1 3.5Å; G469-I473 WeakPolarHBondContact O-CG1 2.95Å; G469-I473 PolarHBondContact O-N 2.99Å; L470-I473 PolarHBondContact O-N 2.85Å; L470-I473 VanDerWaalsContact O-N 3.14Å; I473-N475 PolarHBondContact O-N 2.87Å; I473-R476 WeakPolarHBondContact O-CB 3.29Å; I473-R476 PolarHBondContact O-N 2.96Å; I473-R476 VanDerWaalsContact O-N 3.08Å; I473-I477 HydrophobicContact CG2-CD1 3.93Å; I473-I477 WeakPolarHBondContact O-CG1 3.47Å; I473-I477 PolarHBondContact O-N 2.94Å; I473-E539 WeakPolarHBondContact CD1-OE1 3.42Å; I473-E539 HydrophobicContact CG2-CB 4.31Å; I473-E539 HydrophobicContact CG2-CG 3.97Å |
| 474 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M363 V366 L367 L470 R476 I477 H478 F501 | M363-A474 HydrophobicContact CG-CB 4.29Å; M363-A474 HydrophobicContact SD-CB 3.87Å; V366-A474 HydrophobicContact CB-CB 4.03Å; V366-A474 HydrophobicContact CG1-CB 4.05Å; L367-A474 HydrophobicContact CD1-CB 3.92Å; L367-A474 HydrophobicContact CD2-CB 4.19Å; L367-A474 HydrophobicContact CG-CB 3.72Å; L470-A474 PolarHBondContact O-N 3.31Å; A474-R476 VanDerWaalsContact C-N 3.31Å; A474-R476 PolarHBondContact O-N 3.43Å; A474-I477 PolarHBondContact O-N 2.85Å; A474-H478 WeakPolarHBondContact O-CB 3.34Å; A474-H478 PolarHBondContact O-N 3.27Å; A474-F501 HydrophobicContact CB-CE2 4.27Å; A474-F501 HydrophobicContact CB-CZ 4.17Å |
| 475 | N | 98.1 | Very high | 98.4 | Very high | 82 Ų | 82 | 33 Ų | 33 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64 | -34.7 | 176.3 | -82.1 | -66.2 | 0 | 0 | 0 | 112.6 | K471 I473 R479 | K471-N475 VanDerWaalsContact O-CB 3.27Å; K471-N475 WeakPolarHBondContact O-CB 3.49Å; K471-N475 PolarHBondContact O-N 2.84Å; K471-N475 PolarHBondContact O-ND2 2.88Å; I473-N475 PolarHBondContact O-N 2.87Å; N475-R479 WeakPolarHBondContact O-CB 3.39Å; N475-R479 PolarHBondContact O-N 3.2Å |
| 476 | R | 98.2 | Very high | 98.3 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 33% | 0.328 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.2 | -46.1 | 177.8 | -178.6 | -179.3 | 131.6 | -125.8 | -3.2 | 111.3 | R472 I473 A474 H478 R479 L480 E539 T541 | R472-R476 VanDerWaalsContact O-CB 3.3Å; R472-R476 WeakPolarHBondContact O-CB 3.26Å; R472-R476 PolarHBondContact O-N 3.43Å; I473-R476 WeakPolarHBondContact O-CB 3.29Å; I473-R476 PolarHBondContact O-N 2.96Å; I473-R476 VanDerWaalsContact O-N 3.08Å; A474-R476 VanDerWaalsContact C-N 3.31Å; A474-R476 PolarHBondContact O-N 3.43Å; R476-H478 VanDerWaalsContact C-N 3.32Å; R476-H478 PolarHBondContact O-N 3.14Å; R476-R479 PolarHBondContact O-N 3.1Å; R476-L480 HydrophobicContact CG-CD1 4.22Å; R476-L480 WeakPolarHBondContact O-CG 3.14Å; R476-L480 PolarHBondContact O-N 3.37Å; R476-E539 PolarHBondContact NH1-O 2.92Å; R476-E539 PolarHBondContact NH2-O 3.24Å; R476-T541 PolarHBondContact NH2-O 3.34Å |
| 477 | I | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -49.9 | 175.3 | -63 | 172.3 | 0 | 0 | 0 | 109.4 | M363 I473 A474 L480 T481 F501 D502 E539 | M363-I477 HydrophobicContact CG-CD1 4.12Å; I473-I477 HydrophobicContact CG2-CD1 3.93Å; I473-I477 WeakPolarHBondContact O-CG1 3.47Å; I473-I477 PolarHBondContact O-N 2.94Å; A474-I477 PolarHBondContact O-N 2.85Å; I477-L480 PolarHBondContact O-N 3.43Å; I477-T481 PolarHBondContact O-N 3.06Å; I477-T481 VanDerWaalsContact O-N 3.09Å; I477-T481 PolarHBondContact O-OG1 3.44Å; I477-F501 HydrophobicContact CB-CZ 4.49Å; I477-F501 HydrophobicContact CG2-CZ 4.4Å; I477-D502 HydrophobicContact CG2-CB 3.49Å; I477-D502 VanDerWaalsContact CG2-CB 3.49Å; I477-E539 HydrophobicContact CD1-CB 4.29Å |
| 478 | H | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 179.3 | -174.7 | 51.3 | 0 | 0 | 0 | 112.9 | L367 A474 R476 L480 T481 D482 Y500 F501 S575 | L367-H478 HydrophobicContact CD1-CB 4.32Å; A474-H478 WeakPolarHBondContact O-CB 3.34Å; A474-H478 PolarHBondContact O-N 3.27Å; R476-H478 VanDerWaalsContact C-N 3.32Å; R476-H478 PolarHBondContact O-N 3.14Å; H478-L480 PolarHBondContact O-N 3.48Å; H478-T481 WeakPolarHBondContact O-CA 3.21Å; H478-T481 WeakPolarHBondContact O-CB 3.39Å; H478-T481 PolarHBondContact O-N 3.16Å; H478-D482 IonicContact CE1-OD1 2.92Å; H478-D482 IonicContact NE2-OD2 3.47Å; H478-D482 PolarHBondContact O-N 3.2Å; H478-Y500 PolarHBondContact CE1-O 3.15Å; H478-F501 HydrophobicContact CB-CD2 4.06Å; H478-F501 HydrophobicContact CB-CE2 3.98Å; H478-F501 PolarHBondContact ND1-O 3.49Å; H478-S575 PolarHBondContact CE1-OG 3.04Å; H478-S575 PolarHBondContact NE2-OG 3.13Å |
| 479 | R | 98 | Very high | 98.2 | Very high | 73 Ų | 73 | 31.7 Ų | 31.7 | 28% | 0.275 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58 | -44.3 | 177.9 | 177 | 63.8 | 67.9 | -152.2 | 3.4 | 112.2 | N475 R476 T481 D482 I483 D566 V569 A570 | N475-R479 WeakPolarHBondContact O-CB 3.39Å; N475-R479 PolarHBondContact O-N 3.2Å; R476-R479 PolarHBondContact O-N 3.1Å; R479-T481 VanDerWaalsContact C-N 3.26Å; R479-T481 PolarHBondContact O-N 3Å; R479-D482 IonicContact NH1-OD2 3.5Å; R479-D482 PolarHBondContact O-N 3.17Å; R479-I483 HydrophobicContact CG-CD1 4.1Å; R479-I483 VanDerWaalsContact O-CG1 3.26Å; R479-I483 WeakPolarHBondContact O-CG1 3.3Å; R479-I483 PolarHBondContact O-N 2.97Å; R479-D566 WeakPolarHBondContact CD-OD1 3.35Å; R479-V569 VanDerWaalsContact CD-CG2 3.46Å; R479-V569 PolarHBondContact NH1-O 2.94Å; R479-A570 VanDerWaalsContact CZ-CA 3.5Å |
| 480 | L | 98.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 177 | -70.1 | 169.5 | 0 | 0 | 0 | 111.5 | R476 I477 H478 I483 L484 L537 T541 V546 | R476-L480 HydrophobicContact CG-CD1 4.22Å; R476-L480 WeakPolarHBondContact O-CG 3.14Å; R476-L480 PolarHBondContact O-N 3.37Å; I477-L480 PolarHBondContact O-N 3.43Å; H478-L480 PolarHBondContact O-N 3.48Å; L480-I483 HydrophobicContact CD2-CD1 4.49Å; L480-I483 PolarHBondContact O-N 3Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 3.35Å; L480-L537 HydrophobicContact CB-CD1 4.06Å; L480-T541 HydrophobicContact CD1-CG2 4.09Å; L480-T541 WeakPolarHBondContact CD1-O 3.36Å; L480-V546 HydrophobicContact CB-CG2 4.23Å; L480-V546 HydrophobicContact CD2-CG2 4.01Å |
| 481 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 176.1 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | I477 H478 R479 L484 A485 Y500 D502 L504 | I477-T481 PolarHBondContact O-N 3.06Å; I477-T481 VanDerWaalsContact O-N 3.09Å; I477-T481 PolarHBondContact O-OG1 3.44Å; H478-T481 WeakPolarHBondContact O-CA 3.21Å; H478-T481 WeakPolarHBondContact O-CB 3.39Å; H478-T481 PolarHBondContact O-N 3.16Å; R479-T481 VanDerWaalsContact C-N 3.26Å; R479-T481 PolarHBondContact O-N 3Å; T481-L484 PolarHBondContact O-N 3.09Å; T481-A485 WeakPolarHBondContact O-CB 3.43Å; T481-A485 PolarHBondContact O-N 2.8Å; T481-Y500 HydrophobicContact CG2-CD2 3.78Å; T481-Y500 HydrophobicContact CG2-CE2 3.93Å; T481-D502 WeakPolarHBondContact OG1-CA 3.35Å; T481-L504 HydrophobicContact CG2-CD1 4.26Å; T481-L504 HydrophobicContact CG2-CD2 3.86Å; T481-L504 HydrophobicContact CG2-CG 3.8Å |
| 482 | D | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 172.8 | -79.9 | -11.6 | 0 | 0 | 0 | 112.3 | H478 R479 L484 A485 A486 Y500 V569 S573 S575 | H478-D482 IonicContact CE1-OD1 2.92Å; H478-D482 IonicContact NE2-OD2 3.47Å; H478-D482 PolarHBondContact O-N 3.2Å; R479-D482 IonicContact NH1-OD2 3.5Å; R479-D482 PolarHBondContact O-N 3.17Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-L484 PolarHBondContact O-N 3.49Å; D482-A485 PolarHBondContact O-N 3.35Å; D482-A486 VanDerWaalsContact O-CB 3.28Å; D482-A486 WeakPolarHBondContact O-CB 3.1Å; D482-A486 PolarHBondContact O-N 3.15Å; D482-Y500 WeakPolarHBondContact OD1-CE2 3.13Å; D482-V569 HydrophobicContact CB-CB 4.11Å; D482-V569 HydrophobicContact CB-CG1 4.09Å; D482-V569 HydrophobicContact CB-CG2 4.32Å; D482-S573 VanDerWaalsContact OD2-CB 3.23Å; D482-S573 WeakPolarHBondContact OD2-CB 3.44Å; D482-S573 PolarHBondContact OD2-OG 3.46Å; D482-S575 VanDerWaalsContact OD1-CB 3.24Å; D482-S575 WeakPolarHBondContact OD1-CB 3.4Å; D482-S575 PolarHBondContact OD1-OG 3.39Å; D482-S575 PolarHBondContact OD2-OG 3.05Å |
| 483 | I | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 176.7 | -72 | 167.3 | 0 | 0 | 0 | 110.1 | R479 L480 A486 G487 V546 I562 L565 D566 V569 | R479-I483 HydrophobicContact CG-CD1 4.1Å; R479-I483 VanDerWaalsContact O-CG1 3.26Å; R479-I483 WeakPolarHBondContact O-CG1 3.3Å; R479-I483 PolarHBondContact O-N 2.97Å; L480-I483 HydrophobicContact CD2-CD1 4.49Å; L480-I483 PolarHBondContact O-N 3Å; I483-A486 PolarHBondContact O-N 2.99Å; I483-G487 PolarHBondContact O-N 3.18Å; I483-V546 HydrophobicContact CG2-CG1 4.04Å; I483-I562 HydrophobicContact CG2-CD1 4.36Å; I483-I562 HydrophobicContact CG2-CG1 3.72Å; I483-L565 HydrophobicContact CG2-CB 4Å; I483-L565 HydrophobicContact CG2-CD1 4.21Å; I483-D566 HydrophobicContact CD1-CB 3.74Å; I483-D566 HydrophobicContact CG1-CB 4.33Å; I483-V569 HydrophobicContact CG1-CG2 3.65Å |
| 484 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -51.1 | 176.9 | 178.6 | 61 | 0 | 0 | 0 | 110.4 | L480 T481 D482 A486 G487 L488 L504 I535 L537 V546 L549 F550 L553 | L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 3.35Å; T481-L484 PolarHBondContact O-N 3.09Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-L484 PolarHBondContact O-N 3.49Å; L484-A486 PolarHBondContact O-N 2.79Å; L484-G487 PolarHBondContact O-N 2.74Å; L484-L488 HydrophobicContact CD1-CD1 3.9Å; L484-L488 HydrophobicContact CD1-CD2 4.46Å; L484-L488 HydrophobicContact CD1-CG 4.09Å; L484-L488 HydrophobicContact CG-CD1 3.9Å; L484-L488 HydrophobicContact CG-CG 4.46Å; L484-L488 WeakPolarHBondContact O-CG 3.2Å; L484-L488 PolarHBondContact O-N 2.86Å; L484-L504 HydrophobicContact CB-CD1 4.27Å; L484-L504 HydrophobicContact CD2-CD1 3.92Å; L484-L504 HydrophobicContact CG-CD1 3.9Å; L484-I535 HydrophobicContact CD2-CD1 4.47Å; L484-I535 HydrophobicContact CD2-CG2 4.11Å; L484-L537 HydrophobicContact CD2-CD1 4.23Å; L484-L537 HydrophobicContact CD2-CD2 4.27Å; L484-V546 HydrophobicContact CB-CG1 4.26Å; L484-V546 HydrophobicContact CD1-CG1 4.46Å; L484-L549 HydrophobicContact CD1-CB 3.95Å; L484-L549 HydrophobicContact CD2-CD1 3.91Å; L484-F550 HydrophobicContact CD1-CD1 3.96Å; L484-F550 HydrophobicContact CD1-CE1 3.71Å; L484-F550 HydrophobicContact CD1-CZ 4.3Å; L484-F550 WeakPolarHBondContact O-CE1 3.15Å; L484-L553 HydrophobicContact CD1-CD1 4.37Å |
| 485 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T481 D482 G487 L488 Q489 L495 Y500 L504 | T481-A485 WeakPolarHBondContact O-CB 3.43Å; T481-A485 PolarHBondContact O-N 2.8Å; D482-A485 PolarHBondContact O-N 3.35Å; A485-G487 PolarHBondContact O-N 2.71Å; A485-L488 PolarHBondContact O-N 3.28Å; A485-Q489 WeakPolarHBondContact O-CB 3.44Å; A485-Q489 VanDerWaalsContact O-CG 3.32Å; A485-Q489 WeakPolarHBondContact O-CG 3.37Å; A485-Q489 PolarHBondContact O-N 3.45Å; A485-L495 HydrophobicContact CB-CD1 3.6Å; A485-Y500 HydrophobicContact CB-CE1 4.45Å; A485-Y500 HydrophobicContact CB-CE2 4.3Å; A485-Y500 WeakPolarHBondContact CB-OH 3.37Å; A485-L504 HydrophobicContact CB-CD1 3.89Å; A485-L504 HydrophobicContact CB-CD2 4.09Å |
| 486 | A | 97.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D482 I483 L484 L488 Q489 Q490 L565 V569 | D482-A486 VanDerWaalsContact O-CB 3.28Å; D482-A486 WeakPolarHBondContact O-CB 3.1Å; D482-A486 PolarHBondContact O-N 3.15Å; I483-A486 PolarHBondContact O-N 2.99Å; L484-A486 PolarHBondContact O-N 2.79Å; A486-L488 PolarHBondContact O-N 3.2Å; A486-Q489 PolarHBondContact O-N 2.78Å; A486-Q490 WeakPolarHBondContact O-CB 3.43Å; A486-Q490 PolarHBondContact O-N 3.01Å; A486-L565 HydrophobicContact CB-CD2 4.11Å; A486-V569 HydrophobicContact CB-CG1 3.86Å |
| 487 | G | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I483 L484 A485 K491 | I483-G487 PolarHBondContact O-N 3.18Å; L484-G487 PolarHBondContact O-N 2.74Å; A485-G487 PolarHBondContact O-N 2.71Å; G487-K491 WeakPolarHBondContact O-CG 3.42Å; G487-K491 PolarHBondContact O-N 3.32Å |
| 488 | L | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -44.4 | 176.4 | -64.9 | 172.6 | 0 | 0 | 0 | 111.5 | L484 A485 A486 K491 G492 L493 L504 V506 F550 L553 L554 | L484-L488 HydrophobicContact CD1-CD1 3.9Å; L484-L488 HydrophobicContact CD1-CD2 4.46Å; L484-L488 HydrophobicContact CD1-CG 4.09Å; L484-L488 HydrophobicContact CG-CD1 3.9Å; L484-L488 HydrophobicContact CG-CG 4.46Å; L484-L488 WeakPolarHBondContact O-CG 3.2Å; L484-L488 PolarHBondContact O-N 2.86Å; A485-L488 PolarHBondContact O-N 3.28Å; A486-L488 PolarHBondContact O-N 3.2Å; L488-K491 CarbonylContact O-C 3.56Å; L488-K491 PolarHBondContact O-N 3.2Å; L488-K491 VanDerWaalsContact O-N 3.14Å; L488-G492 PolarHBondContact O-N 2.65Å; L488-L493 HydrophobicContact CB-CB 4.17Å; L488-L493 HydrophobicContact CD2-CD2 4.03Å; L488-L493 PolarHBondContact O-N 3.17Å; L488-L504 HydrophobicContact CD1-CD1 4.45Å; L488-V506 HydrophobicContact CD1-CG1 4.33Å; L488-V506 HydrophobicContact CD1-CG2 3.96Å; L488-F550 HydrophobicContact CD2-CD1 4.03Å; L488-F550 HydrophobicContact CD2-CE1 4.33Å; L488-F550 HydrophobicContact CG-CD1 4.37Å; L488-F550 HydrophobicContact CG-CE1 4.18Å; L488-L553 HydrophobicContact CD1-CD1 3.77Å; L488-L553 HydrophobicContact CD2-CB 3.65Å; L488-L553 HydrophobicContact CD2-CD1 3.5Å; L488-L553 VanDerWaalsContact CD2-CD1 3.5Å; L488-L553 HydrophobicContact CD2-CG 4.18Å; L488-L553 HydrophobicContact CG-CD1 4.25Å; L488-L554 HydrophobicContact CD2-CD1 4.31Å; L488-L554 HydrophobicContact CD2-CD2 4.13Å; L488-L554 HydrophobicContact CD2-CG 4.11Å |
| 489 | Q | 96.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.1 | -72.6 | 177 | -35.9 | 0 | 0 | 112.2 | A485 A486 K491 G492 L495 | A485-Q489 WeakPolarHBondContact O-CB 3.44Å; A485-Q489 VanDerWaalsContact O-CG 3.32Å; A485-Q489 WeakPolarHBondContact O-CG 3.37Å; A485-Q489 PolarHBondContact O-N 3.45Å; A486-Q489 PolarHBondContact O-N 2.78Å; Q489-K491 PolarHBondContact O-N 3.39Å; Q489-K491 VanDerWaalsContact O-N 3.13Å; Q489-G492 PolarHBondContact O-N 2.91Å; Q489-L495 HydrophobicContact CG-CD1 4.03Å; Q489-L495 HydrophobicContact CG-CG 4.05Å |
| 490 | Q | 96.2 | Very high | 97.5 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 60% | 0.598 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.2 | -26.5 | 174.6 | -172.1 | -178.2 | 8.7 | 0 | 0 | 112.2 | A486 L560 | A486-Q490 WeakPolarHBondContact O-CB 3.43Å; A486-Q490 PolarHBondContact O-N 3.01Å; Q490-L560 HydrophobicContact CB-CD2 4.42Å; Q490-L560 HydrophobicContact CG-CD2 4.49Å |
| 491 | K | 96.5 | Very high | 97.5 | Very high | 92 Ų | 92 | 41.5 Ų | 41.5 | 40% | 0.4 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 12.2 | 178.9 | -59.9 | -70.7 | 169.7 | 175.7 | 0 | 113.3 | G487 L488 Q489 L554 H558 L560 | G487-K491 WeakPolarHBondContact O-CG 3.42Å; G487-K491 PolarHBondContact O-N 3.32Å; L488-K491 CarbonylContact O-C 3.56Å; L488-K491 PolarHBondContact O-N 3.2Å; L488-K491 VanDerWaalsContact O-N 3.14Å; Q489-K491 PolarHBondContact O-N 3.39Å; Q489-K491 VanDerWaalsContact O-N 3.13Å; K491-L554 HydrophobicContact CB-CD1 3.94Å; K491-L554 HydrophobicContact CB-CD2 3.71Å; K491-L554 HydrophobicContact CB-CG 4.44Å; K491-L554 HydrophobicContact CG-CD1 3.79Å; K491-L554 HydrophobicContact CG-CD2 4.48Å; K491-H558 WeakPolarHBondContact CE-O 3.1Å; K491-H558 PolarHBondContact NZ-O 3.37Å; K491-L560 HydrophobicContact CD-CD2 4.44Å; K491-L560 VanDerWaalsContact CE-CD2 3.47Å; K491-L560 HydrophobicContact CG-CD1 4.2Å; K491-L560 HydrophobicContact CG-CD2 4.03Å; K491-L560 HydrophobicContact CG-CG 4.28Å |
| 492 | G | 95.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 41.8 Ų | 41.8 | 68% | 0.68 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 8.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L488 Q489 | L488-G492 PolarHBondContact O-N 2.65Å; Q489-G492 PolarHBondContact O-N 2.91Å |
| 493 | L | 97.2 | Very high | 97.6 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 139.1 | 172.9 | -82.3 | 66.1 | 0 | 0 | 0 | 109.8 | L488 V506 V508 L553 L554 | L488-L493 HydrophobicContact CB-CB 4.17Å; L488-L493 HydrophobicContact CD2-CD2 4.03Å; L488-L493 PolarHBondContact O-N 3.17Å; L493-V506 HydrophobicContact CB-CG1 4.06Å; L493-V506 HydrophobicContact CD2-CG1 3.81Å; L493-V506 HydrophobicContact CG-CG1 4.4Å; L493-V508 HydrophobicContact CD2-CG1 4.4Å; L493-L553 HydrophobicContact CD2-CB 4.25Å; L493-L554 HydrophobicContact CD1-CD2 3.31Å; L493-L554 HydrophobicContact CD2-CD2 3.93Å; L493-L554 HydrophobicContact CG-CD2 4.23Å |
| 494 | K | 97.7 | Very high | 97.6 | Very high | 123 Ų | 123 | 42 Ų | 42 | 54% | 0.535 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.1 | -178.5 | 179.1 | 169.5 | 167.9 | -117.1 | 0 | 110.2 | E507 | K494-E507 HydrophobicContact CB-CB 4.34Å; K494-E507 IonicContact NZ-OE1 2.71Å; K494-E507 PolarHBondContact NZ-OE1 3.48Å; K494-E507 IonicContact NZ-OE2 3.83Å; K494-E507 PolarHBondContact NZ-OE2 3.36Å; K494-E507 PolarHBondContact O-N 3.28Å |
| 495 | L | 98.2 | Very high | 97.6 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 139.1 | 168.6 | -50.7 | -178.9 | 0 | 0 | 0 | 108.4 | A485 Q489 H497 Y500 L504 V506 | A485-L495 HydrophobicContact CB-CD1 3.6Å; Q489-L495 HydrophobicContact CG-CD1 4.03Å; Q489-L495 HydrophobicContact CG-CG 4.05Å; L495-H497 VanDerWaalsContact C-N 3.3Å; L495-Y500 HydrophobicContact CD1-CE1 4.17Å; L495-L504 HydrophobicContact CD1-CD2 4.35Å; L495-V506 HydrophobicContact CD2-CB 4.4Å; L495-V506 HydrophobicContact CD2-CG1 4.3Å; L495-V506 HydrophobicContact CD2-CG2 3.78Å |
| 496 | R | 97.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -69.5 | -33.1 | 174.9 | -66.3 | -163.3 | -176.8 | 174.3 | -2.1 | 112.6 | C505 E507 L530 | R496-C505 HydrophobicContact CB-CB 4.23Å; R496-C505 VanDerWaalsContact CD-SG 3.51Å; R496-C505 HydrophobicContact CG-CB 4.34Å; R496-C505 PolarHBondContact N-O 3.13Å; R496-E507 HydrophobicContact CG-CG 4.11Å; R496-L530 PolarHBondContact NH2-O 3.41Å |
| 497 | H | 97.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | trans | -118.9 | 131.8 | -173.6 | -55.5 | -44.8 | 0 | 0 | 0 | 109.9 | T336 E338 L495 H499 | T336-H497 PolarHBondContact O-CD2 3.4Å; T336-H497 PolarHBondContact OG1-NE2 2.94Å; E338-H497 HydrophobicContact CB-CB 4.36Å; E338-H497 IonicContact OE2-CE1 3.02Å; E338-H497 PolarHBondContact OE2-CE1 2.94Å; E338-H497 IonicContact OE2-ND1 3.82Å; L495-H497 VanDerWaalsContact C-N 3.3Å; H497-H499 VanDerWaalsContact C-N 3.33Å | ||
| 498 | A | 96.1 | Very high | 97.6 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -80.3 | -21.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 499 | H | 98.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 27% | 0.269 | 28% | 0.281 | S | S | . | . | trans | -120.2 | 121.9 | -174.2 | -56.9 | -60.1 | 0 | 0 | 0 | 112.3 | E338 I339 H497 R574 S575 Q577 | E338-H499 WeakPolarHBondContact CA-O 3.41Å; I339-H499 HydrophobicContact CB-CB 4.35Å; I339-H499 PolarHBondContact N-O 3.44Å; I339-H499 VanDerWaalsContact N-O 3.08Å; H497-H499 VanDerWaalsContact C-N 3.33Å; H499-R574 PolarHBondContact ND1-O 2.98Å; H499-S575 WeakPolarHBondContact CA-O 3.48Å; H499-S575 VanDerWaalsContact CB-O 3.24Å; H499-S575 WeakPolarHBondContact CB-O 3.33Å; H499-S575 PolarHBondContact ND1-O 3.21Å; H499-Q577 HydrophobicContact CB-CG 4.27Å; H499-Q577 PolarHBondContact CD2-NE2 2.79Å; H499-Q577 WeakPolarHBondContact ND1-CG 3.4Å | ||
| 500 | Y | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | trans | -157.6 | 159.5 | -173.6 | 48.1 | -98.5 | 0 | 0 | 0 | 111.2 | G337 I339 H478 T481 D482 A485 L495 T503 L504 S575 | G337-Y500 VanDerWaalsContact O-CA 3.24Å; G337-Y500 WeakPolarHBondContact O-CA 3.5Å; G337-Y500 VanDerWaalsContact O-CB 3.3Å; G337-Y500 WeakPolarHBondContact O-CB 3.32Å; I339-Y500 WeakPolarHBondContact CD1-O 3.4Å; H478-Y500 PolarHBondContact CE1-O 3.15Å; T481-Y500 HydrophobicContact CG2-CD2 3.78Å; T481-Y500 HydrophobicContact CG2-CE2 3.93Å; D482-Y500 WeakPolarHBondContact OD1-CE2 3.13Å; A485-Y500 HydrophobicContact CB-CE1 4.45Å; A485-Y500 HydrophobicContact CB-CE2 4.3Å; A485-Y500 WeakPolarHBondContact CB-OH 3.37Å; L495-Y500 HydrophobicContact CD1-CE1 4.17Å; Y500-T503 WeakPolarHBondContact CB-O 3.39Å; Y500-L504 HydrophobicContact CD1-CD2 3.63Å; Y500-L504 HydrophobicContact CD2-CD2 3.65Å; Y500-L504 HydrophobicContact CE1-CD2 3.64Å; Y500-L504 HydrophobicContact CE2-CD2 3.66Å; Y500-L504 HydrophobicContact CG-CD2 3.65Å; Y500-S575 PolarHBondContact N-O 3.28Å | ||
| 501 | F | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -96.5 | -69.9 | 170.4 | 170.8 | -124.4 | 0 | 0 | 0 | 110.4 | I339 M363 A364 L367 A474 I477 H478 | I339-F501 HydrophobicContact CD1-CB 4.35Å; M363-F501 HydrophobicContact CG-CE1 4.24Å; M363-F501 HydrophobicContact CG-CZ 4.02Å; A364-F501 HydrophobicContact CB-CB 4.48Å; A364-F501 HydrophobicContact CB-CD1 3.52Å; A364-F501 HydrophobicContact CB-CE1 3.83Å; A364-F501 HydrophobicContact CB-CG 3.99Å; L367-F501 HydrophobicContact CD1-CD2 4.42Å; L367-F501 HydrophobicContact CD1-CE2 3.93Å; A474-F501 HydrophobicContact CB-CE2 4.27Å; A474-F501 HydrophobicContact CB-CZ 4.17Å; I477-F501 HydrophobicContact CB-CZ 4.49Å; I477-F501 HydrophobicContact CG2-CZ 4.4Å; H478-F501 HydrophobicContact CB-CD2 4.06Å; H478-F501 HydrophobicContact CB-CE2 3.98Å; H478-F501 PolarHBondContact ND1-O 3.49Å |
| 502 | D | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -129.1 | -4.9 | -174.3 | 61.4 | 5.8 | 0 | 0 | 0 | 114.2 | R385 I477 T481 T536 L537 | R385-D502 IonicContact CZ-OD2 2.76Å; R385-D502 IonicContact NH1-OD2 3.62Å; R385-D502 PolarHBondContact NH1-OD2 2.91Å; R385-D502 IonicContact NH2-OD2 2.61Å; R385-D502 PolarHBondContact NH2-OD2 2.58Å; R385-D502 VanDerWaalsContact NH2-OD2 3.14Å; I477-D502 HydrophobicContact CG2-CB 3.49Å; I477-D502 VanDerWaalsContact CG2-CB 3.49Å; T481-D502 WeakPolarHBondContact OG1-CA 3.35Å; D502-T536 CarbonylContact O-C 3.58Å; D502-T536 WeakPolarHBondContact O-CA 3.37Å; D502-L537 PolarHBondContact O-N 3.47Å |
| 503 | T | 98.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.9 | -170.8 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | G337 Y500 I535 T536 | G337-T503 WeakPolarHBondContact CA-O 3.35Å; Y500-T503 WeakPolarHBondContact CB-O 3.39Å; T503-I535 CarbonylContact C-O 3.52Å; T503-I535 VanDerWaalsContact CA-O 3.3Å; T503-I535 WeakPolarHBondContact CA-O 3.39Å; T503-T536 VanDerWaalsContact CG2-OG1 3.32Å; T503-T536 WeakPolarHBondContact CG2-OG1 3.39Å; T503-T536 WeakPolarHBondContact OG1-CB 3.28Å; T503-T536 VanDerWaalsContact OG1-CG2 3.29Å; T503-T536 WeakPolarHBondContact OG1-CG2 3.04Å; T503-T536 PolarHBondContact OG1-OG1 3.11Å |
| 504 | L | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.4 | 174.6 | -59.2 | -178.8 | 0 | 0 | 0 | 110.7 | T481 L484 A485 L488 L495 Y500 V506 G534 I535 | T481-L504 HydrophobicContact CG2-CD1 4.26Å; T481-L504 HydrophobicContact CG2-CD2 3.86Å; T481-L504 HydrophobicContact CG2-CG 3.8Å; L484-L504 HydrophobicContact CB-CD1 4.27Å; L484-L504 HydrophobicContact CD2-CD1 3.92Å; L484-L504 HydrophobicContact CG-CD1 3.9Å; A485-L504 HydrophobicContact CB-CD1 3.89Å; A485-L504 HydrophobicContact CB-CD2 4.09Å; L488-L504 HydrophobicContact CD1-CD1 4.45Å; L495-L504 HydrophobicContact CD1-CD2 4.35Å; Y500-L504 HydrophobicContact CD1-CD2 3.63Å; Y500-L504 HydrophobicContact CD2-CD2 3.65Å; Y500-L504 HydrophobicContact CE1-CD2 3.64Å; Y500-L504 HydrophobicContact CE2-CD2 3.66Å; Y500-L504 HydrophobicContact CG-CD2 3.65Å; L504-V506 HydrophobicContact CB-CG2 3.98Å; L504-G534 CarbonylContact O-C 3.53Å; L504-G534 VanDerWaalsContact O-CA 3.3Å; L504-G534 WeakPolarHBondContact O-CA 3.34Å; L504-I535 PolarHBondContact N-O 3.15Å; L504-I535 PolarHBondContact O-N 2.94Å |
| 505 | C | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 106.3 | 166.2 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | T336 R496 | T336-C505 WeakPolarHBondContact O-CB 3.49Å; R496-C505 HydrophobicContact CB-CB 4.23Å; R496-C505 VanDerWaalsContact CD-SG 3.51Å; R496-C505 HydrophobicContact CG-CB 4.34Å; R496-C505 PolarHBondContact N-O 3.13Å |
| 506 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.4 | -168.3 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | L488 L493 L495 L504 V508 A532 V533 I535 | L488-V506 HydrophobicContact CD1-CG1 4.33Å; L488-V506 HydrophobicContact CD1-CG2 3.96Å; L493-V506 HydrophobicContact CB-CG1 4.06Å; L493-V506 HydrophobicContact CD2-CG1 3.81Å; L493-V506 HydrophobicContact CG-CG1 4.4Å; L495-V506 HydrophobicContact CD2-CB 4.4Å; L495-V506 HydrophobicContact CD2-CG1 4.3Å; L495-V506 HydrophobicContact CD2-CG2 3.78Å; L504-V506 HydrophobicContact CB-CG2 3.98Å; V506-V508 HydrophobicContact CG1-CG1 4.36Å; V506-V508 PolarHBondContact O-N 2.91Å; V506-A532 CarbonylContact O-C 3.59Å; V506-A532 WeakPolarHBondContact O-CA 3.27Å; V506-A532 WeakPolarHBondContact O-CB 3.48Å; V506-V533 HydrophobicContact CB-CG2 4.3Å; V506-V533 PolarHBondContact N-O 3Å; V506-V533 PolarHBondContact O-N 2.95Å; V506-I535 HydrophobicContact CG2-CD1 3.96Å |
| 507 | E | 98.3 | Very high | 97.3 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 128 | 172.8 | -66.6 | 179 | -162.7 | 0 | 0 | 110.1 | K494 R496 | K494-E507 HydrophobicContact CB-CB 4.34Å; K494-E507 IonicContact NZ-OE1 2.71Å; K494-E507 PolarHBondContact NZ-OE1 3.48Å; K494-E507 IonicContact NZ-OE2 3.83Å; K494-E507 PolarHBondContact NZ-OE2 3.36Å; K494-E507 PolarHBondContact O-N 3.28Å; R496-E507 HydrophobicContact CG-CG 4.11Å |
| 508 | V | 96.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -130.4 | 126.6 | -178.5 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | L493 V506 K511 V514 N531 V533 L553 | L493-V508 HydrophobicContact CD2-CG1 4.4Å; V506-V508 HydrophobicContact CG1-CG1 4.36Å; V506-V508 PolarHBondContact O-N 2.91Å; V508-K511 HydrophobicContact CG2-CB 3.83Å; V508-K511 HydrophobicContact CG2-CG 4.05Å; V508-V514 HydrophobicContact CB-CG2 4.29Å; V508-V514 HydrophobicContact CG1-CG2 4.16Å; V508-N531 PolarHBondContact N-O 3.39Å; V508-N531 VanDerWaalsContact N-O 3.11Å; V508-V533 HydrophobicContact CG1-CG2 4.22Å; V508-V533 HydrophobicContact CG2-CG1 4.19Å; V508-L553 HydrophobicContact CG1-CD2 4.37Å | ||
| 509 | A | 92.3 | Very high | 97.4 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 98% | 0.983 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -72 | -42.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 510 | D | 94.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | trans | -106.8 | 74.4 | 175.2 | 178.4 | 19.5 | 0 | 0 | 0 | 110.4 | A512 G513 V514 | D510-A512 VanDerWaalsContact C-N 3.28Å; D510-A512 PolarHBondContact O-N 3.32Å; D510-G513 PolarHBondContact O-N 3.08Å; D510-G513 PolarHBondContact OD1-N 2.93Å; D510-G513 WeakPolarHBondContact OD2-CA 3.44Å; D510-V514 WeakPolarHBondContact O-CG2 3.3Å; D510-V514 PolarHBondContact O-N 3.04Å; D510-V514 VanDerWaalsContact O-N 3.13Å | ||
| 511 | K | 96.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 179 | -173.5 | 170.3 | 176.1 | 171.4 | 0 | 112.2 | V508 V514 L515 S527 I529 A532 V533 | V508-K511 HydrophobicContact CG2-CB 3.83Å; V508-K511 HydrophobicContact CG2-CG 4.05Å; K511-V514 PolarHBondContact O-N 3.18Å; K511-L515 HydrophobicContact CG-CD1 4.1Å; K511-L515 HydrophobicContact CG-CG 4.32Å; K511-L515 WeakPolarHBondContact O-CG 3.45Å; K511-L515 PolarHBondContact O-N 3.45Å; K511-S527 VanDerWaalsContact CE-O 3.31Å; K511-S527 WeakPolarHBondContact CE-O 3.38Å; K511-S527 PolarHBondContact NZ-O 3.49Å; K511-I529 PolarHBondContact NZ-O 2.94Å; K511-A532 VanDerWaalsContact CE-O 3.24Å; K511-A532 WeakPolarHBondContact CE-O 3.41Å; K511-A532 PolarHBondContact NZ-O 3.14Å; K511-V533 HydrophobicContact CG-CG1 4.28Å |
| 512 | A | 96.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 55% | 0.554 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | D510 L515 T516 | D510-A512 VanDerWaalsContact C-N 3.28Å; D510-A512 PolarHBondContact O-N 3.32Å; A512-L515 PolarHBondContact O-N 2.78Å; A512-T516 WeakPolarHBondContact O-CB 3.45Å; A512-T516 PolarHBondContact O-N 3.35Å; A512-T516 PolarHBondContact O-OG1 3.21Å |
| 513 | G | 96.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | D510 T516 R517 | D510-G513 PolarHBondContact O-N 3.08Å; D510-G513 PolarHBondContact OD1-N 2.93Å; D510-G513 WeakPolarHBondContact OD2-CA 3.44Å; G513-T516 PolarHBondContact O-N 3.22Å; G513-R517 WeakPolarHBondContact O-CG 3.45Å; G513-R517 PolarHBondContact O-N 2.69Å; G513-R517 PolarHBondContact O-NH1 2.81Å |
| 514 | V | 97.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | V508 D510 K511 T516 R517 A518 L525 V552 L553 | V508-V514 HydrophobicContact CB-CG2 4.29Å; V508-V514 HydrophobicContact CG1-CG2 4.16Å; D510-V514 WeakPolarHBondContact O-CG2 3.3Å; D510-V514 PolarHBondContact O-N 3.04Å; D510-V514 VanDerWaalsContact O-N 3.13Å; K511-V514 PolarHBondContact O-N 3.18Å; V514-T516 VanDerWaalsContact C-N 3.32Å; V514-T516 PolarHBondContact O-N 3.37Å; V514-R517 PolarHBondContact O-N 2.81Å; V514-A518 WeakPolarHBondContact O-CB 3.41Å; V514-A518 PolarHBondContact O-N 2.83Å; V514-L525 HydrophobicContact CG1-CD1 4.03Å; V514-V552 HydrophobicContact CG1-CG1 4.18Å; V514-L553 HydrophobicContact CG1-CD2 3.93Å |
| 515 | L | 97.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | -180 | -66.2 | 177.5 | 0 | 0 | 0 | 112 | K511 A512 R517 A518 E519 V533 | K511-L515 HydrophobicContact CG-CD1 4.1Å; K511-L515 HydrophobicContact CG-CG 4.32Å; K511-L515 WeakPolarHBondContact O-CG 3.45Å; K511-L515 PolarHBondContact O-N 3.45Å; A512-L515 PolarHBondContact O-N 2.78Å; L515-R517 PolarHBondContact O-N 2.82Å; L515-A518 WeakPolarHBondContact O-CB 3.39Å; L515-A518 PolarHBondContact O-N 2.72Å; L515-E519 WeakPolarHBondContact O-CB 3.46Å; L515-E519 PolarHBondContact O-N 3.22Å; L515-V533 HydrophobicContact CD2-CG1 4.24Å |
| 516 | T | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.8 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | A512 G513 V514 A520 | A512-T516 WeakPolarHBondContact O-CB 3.45Å; A512-T516 PolarHBondContact O-N 3.35Å; A512-T516 PolarHBondContact O-OG1 3.21Å; G513-T516 PolarHBondContact O-N 3.22Å; V514-T516 VanDerWaalsContact C-N 3.32Å; V514-T516 PolarHBondContact O-N 3.37Å; T516-A520 WeakPolarHBondContact O-CB 3.29Å; T516-A520 PolarHBondContact O-N 3.2Å |
| 517 | R | 97.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 175.4 | -71 | -170.5 | -59.1 | -85.6 | 1.9 | 112.2 | G513 V514 L515 A520 A521 V552 | G513-R517 WeakPolarHBondContact O-CG 3.45Å; G513-R517 PolarHBondContact O-N 2.69Å; G513-R517 PolarHBondContact O-NH1 2.81Å; V514-R517 PolarHBondContact O-N 2.81Å; L515-R517 PolarHBondContact O-N 2.82Å; R517-A520 PolarHBondContact O-N 3.32Å; R517-A521 WeakPolarHBondContact O-CB 3.42Å; R517-A521 PolarHBondContact O-N 3.2Å; R517-A521 VanDerWaalsContact O-N 3.08Å; R517-V552 PolarHBondContact NE-O 2.99Å; R517-V552 PolarHBondContact NH2-O 2.91Å |
| 518 | A | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | V514 L515 A520 A521 E522 I523 L525 V552 | V514-A518 WeakPolarHBondContact O-CB 3.41Å; V514-A518 PolarHBondContact O-N 2.83Å; L515-A518 WeakPolarHBondContact O-CB 3.39Å; L515-A518 PolarHBondContact O-N 2.72Å; A518-A520 PolarHBondContact O-N 3Å; A518-A521 CarbonylContact O-C 3.53Å; A518-A521 WeakPolarHBondContact O-CA 3.37Å; A518-A521 PolarHBondContact O-N 3.15Å; A518-E522 PolarHBondContact O-N 2.76Å; A518-E522 VanDerWaalsContact O-N 3.14Å; A518-I523 CarbonylContact C-O 3.54Å; A518-I523 HydrophobicContact CB-CB 4.42Å; A518-I523 HydrophobicContact CB-CG2 4.5Å; A518-I523 WeakPolarHBondContact CB-O 3.32Å; A518-I523 PolarHBondContact O-N 3.41Å; A518-L525 HydrophobicContact CB-CD1 4.25Å; A518-L525 HydrophobicContact CB-CG 4.26Å; A518-V552 HydrophobicContact CB-CG1 3.66Å |
| 519 | E | 97.2 | Very high | 96.8 | Very high | 120 Ų | 120 | 55 Ų | 55 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 177 | -174 | -178.4 | -176.5 | 0 | 0 | 111.7 | F194 L515 A521 E522 | F194-E519 HydrophobicContact CE2-CG 4.32Å; L515-E519 WeakPolarHBondContact O-CB 3.46Å; L515-E519 PolarHBondContact O-N 3.22Å; E519-A521 PolarHBondContact O-N 3.36Å; E519-E522 PolarHBondContact O-N 3.27Å |
| 520 | A | 97.4 | Very high | 96.9 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.9 | -24.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T516 R517 A518 | T516-A520 WeakPolarHBondContact O-CB 3.29Å; T516-A520 PolarHBondContact O-N 3.2Å; R517-A520 PolarHBondContact O-N 3.32Å; A518-A520 PolarHBondContact O-N 3Å |
| 521 | A | 97.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R517 A518 E519 I523 V552 | R517-A521 WeakPolarHBondContact O-CB 3.42Å; R517-A521 PolarHBondContact O-N 3.2Å; R517-A521 VanDerWaalsContact O-N 3.08Å; A518-A521 CarbonylContact O-C 3.53Å; A518-A521 WeakPolarHBondContact O-CA 3.37Å; A518-A521 PolarHBondContact O-N 3.15Å; E519-A521 PolarHBondContact O-N 3.36Å; A521-I523 VanDerWaalsContact C-N 3.29Å; A521-I523 HydrophobicContact CB-CD1 4.04Å; A521-I523 HydrophobicContact CB-CG1 4.35Å; A521-I523 PolarHBondContact O-N 3.04Å; A521-V552 HydrophobicContact CB-CG2 4.02Å |
| 522 | E | 98.1 | Very high | 97 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 40 | -175.3 | -56.4 | -172.6 | 141.3 | 0 | 0 | 113.3 | F194 T195 A518 E519 | F194-E522 CarbonylContact C-O 3.58Å; F194-E522 VanDerWaalsContact CA-O 3.27Å; F194-E522 WeakPolarHBondContact CA-O 3.46Å; F194-E522 VanDerWaalsContact CB-O 3.31Å; F194-E522 WeakPolarHBondContact CB-O 3.49Å; F194-E522 HydrophobicContact CD1-CB 3.76Å; F194-E522 HydrophobicContact CD1-CG 4.21Å; F194-E522 VanDerWaalsContact CD2-C 3.4Å; F194-E522 HydrophobicContact CD2-CB 4.31Å; F194-E522 HydrophobicContact CE1-CB 3.76Å; F194-E522 HydrophobicContact CE1-CG 3.7Å; F194-E522 HydrophobicContact CE2-CB 4.32Å; F194-E522 HydrophobicContact CG-CB 4.05Å; F194-E522 WeakPolarHBondContact CG-O 3.23Å; F194-E522 HydrophobicContact CZ-CB 4.05Å; F194-E522 HydrophobicContact CZ-CG 3.95Å; T195-E522 PolarHBondContact N-O 2.88Å; A518-E522 PolarHBondContact O-N 2.76Å; A518-E522 VanDerWaalsContact O-N 3.14Å; E519-E522 PolarHBondContact O-N 3.27Å |
| 523 | I | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.1 | 179.7 | -69.3 | 169.1 | 0 | 0 | 0 | 110.5 | T195 Y197 A518 A521 L525 Q548 L549 V552 | T195-I523 WeakPolarHBondContact O-CA 3.4Å; Y197-I523 HydrophobicContact CD2-CG2 3.65Å; Y197-I523 HydrophobicContact CE2-CD1 4.49Å; Y197-I523 HydrophobicContact CE2-CG1 4.42Å; Y197-I523 HydrophobicContact CE2-CG2 3.89Å; A518-I523 CarbonylContact C-O 3.54Å; A518-I523 HydrophobicContact CB-CB 4.42Å; A518-I523 HydrophobicContact CB-CG2 4.5Å; A518-I523 WeakPolarHBondContact CB-O 3.32Å; A518-I523 PolarHBondContact O-N 3.41Å; A521-I523 VanDerWaalsContact C-N 3.29Å; A521-I523 HydrophobicContact CB-CD1 4.04Å; A521-I523 HydrophobicContact CB-CG1 4.35Å; A521-I523 PolarHBondContact O-N 3.04Å; I523-L525 HydrophobicContact CG2-CD2 3.79Å; I523-L525 HydrophobicContact CG2-CG 4.3Å; I523-Q548 HydrophobicContact CD1-CB 4.13Å; I523-L549 HydrophobicContact CG2-CD2 4.3Å; I523-V552 HydrophobicContact CD1-CG2 4.18Å |
| 524 | N | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131 | 167.5 | -65.5 | -45.5 | 0 | 0 | 0 | 111.3 | F194 T195 S196 Y197 I198 Q654 | F194-N524 WeakPolarHBondContact CB-ND2 3.41Å; T195-N524 PolarHBondContact O-N 3.12Å; S196-N524 PolarHBondContact OG-ND2 3.29Å; Y197-N524 PolarHBondContact N-O 2.95Å; I198-N524 HydrophobicContact CD1-CB 3.86Å; I198-N524 HydrophobicContact CG1-CB 3.95Å; N524-Q654 PolarHBondContact ND2-OE1 3.44Å; N524-Q654 PolarHBondContact OD1-NE2 3.08Å; N524-Q654 PolarHBondContact OD1-OE1 3.2Å |
| 525 | L | 98.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 157 | 169.3 | -54 | -178.9 | 0 | 0 | 0 | 109.4 | Y197 V514 A518 I523 S527 V533 I535 L549 V552 | Y197-L525 HydrophobicContact CD2-CD2 4.22Å; V514-L525 HydrophobicContact CG1-CD1 4.03Å; A518-L525 HydrophobicContact CB-CD1 4.25Å; A518-L525 HydrophobicContact CB-CG 4.26Å; I523-L525 HydrophobicContact CG2-CD2 3.79Å; I523-L525 HydrophobicContact CG2-CG 4.3Å; L525-S527 PolarHBondContact O-N 2.86Å; L525-V533 HydrophobicContact CB-CB 4.39Å; L525-V533 HydrophobicContact CD1-CB 4.27Å; L525-V533 HydrophobicContact CD1-CG1 4.42Å; L525-V533 HydrophobicContact CD1-CG2 4.2Å; L525-I535 HydrophobicContact CD2-CG1 4.2Å; L525-I535 HydrophobicContact CD2-CG2 4.37Å; L525-L549 HydrophobicContact CD2-CD2 3.93Å; L525-V552 HydrophobicContact CD1-CG1 4.22Å |
| 526 | R | 97.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 116 | 171.7 | 177.8 | 176.5 | 176.5 | 177.5 | 6.8 | 110.2 | I198 M200 T335 D528 I529 V533 G534 | I198-R526 HydrophobicContact CG2-CB 4.36Å; M200-R526 HydrophobicContact SD-CG 4.32Å; T335-R526 PolarHBondContact O-NH1 3.33Å; T335-R526 PolarHBondContact OG1-NH1 3.06Å; R526-D528 WeakPolarHBondContact CD-OD1 3.37Å; R526-D528 WeakPolarHBondContact CG-OD1 3.47Å; R526-D528 IonicContact CZ-OD1 2.74Å; R526-D528 IonicContact CZ-OD2 3.93Å; R526-D528 IonicContact NE-OD1 3.98Å; R526-D528 PolarHBondContact NE-OD1 2.94Å; R526-D528 IonicContact NE-OD2 3.56Å; R526-D528 PolarHBondContact NE-OD2 3.16Å; R526-D528 IonicContact NH2-OD1 3.45Å; R526-D528 IonicContact NH2-OD2 3.72Å; R526-D528 PolarHBondContact NH2-OD2 2.95Å; R526-I529 HydrophobicContact CG-CD1 4.32Å; R526-I529 HydrophobicContact CG-CG1 4.4Å; R526-V533 WeakPolarHBondContact O-CA 3.42Å; R526-G534 PolarHBondContact N-O 3.49Å; R526-G534 PolarHBondContact O-N 3.41Å |
| 527 | S | 95.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 44 Ų | 44 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | trans | -114.2 | 1.7 | -166.2 | 65.6 | 0 | 0 | 0 | 0 | 115.2 | K511 L525 I529 | K511-S527 VanDerWaalsContact CE-O 3.31Å; K511-S527 WeakPolarHBondContact CE-O 3.38Å; K511-S527 PolarHBondContact NZ-O 3.49Å; L525-S527 PolarHBondContact O-N 2.86Å; S527-I529 VanDerWaalsContact C-N 3.35Å | ||
| 528 | D | 93.5 | Very high | 97.4 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 53% | 0.529 | 23% | 0.228 | S | C | . | . | trans | -78.7 | -14.5 | 178.3 | 63.3 | -46.1 | 0 | 0 | 0 | 113.8 | R526 L530 | R526-D528 WeakPolarHBondContact CD-OD1 3.37Å; R526-D528 WeakPolarHBondContact CG-OD1 3.47Å; R526-D528 IonicContact CZ-OD1 2.74Å; R526-D528 IonicContact CZ-OD2 3.93Å; R526-D528 IonicContact NE-OD1 3.98Å; R526-D528 PolarHBondContact NE-OD1 2.94Å; R526-D528 IonicContact NE-OD2 3.56Å; R526-D528 PolarHBondContact NE-OD2 3.16Å; R526-D528 IonicContact NH2-OD1 3.45Å; R526-D528 IonicContact NH2-OD2 3.72Å; R526-D528 PolarHBondContact NH2-OD2 2.95Å; D528-L530 PolarHBondContact O-N 3.3Å | ||
| 529 | I | 95.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -79.6 | 120.3 | -174.4 | -50.3 | 176 | 0 | 0 | 0 | 111.2 | T336 K511 R526 S527 N531 A532 | T336-I529 HydrophobicContact CG2-CD1 3.87Å; K511-I529 PolarHBondContact NZ-O 2.94Å; R526-I529 HydrophobicContact CG-CD1 4.32Å; R526-I529 HydrophobicContact CG-CG1 4.4Å; S527-I529 VanDerWaalsContact C-N 3.35Å; I529-N531 PolarHBondContact O-N 3.15Å; I529-A532 HydrophobicContact CB-CB 4.37Å; I529-A532 HydrophobicContact CG2-CB 3.89Å; I529-A532 PolarHBondContact O-N 3.25Å |
| 530 | L | 94 | Very high | 97.5 | Very high | 134 Ų | 134 | 36.4 Ų | 36.4 | 70% | 0.702 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 124.7 | -179.9 | 179.6 | 65.5 | 0 | 0 | 0 | 112 | R496 D528 A532 | R496-L530 PolarHBondContact NH2-O 3.41Å; D528-L530 PolarHBondContact O-N 3.3Å; L530-A532 PolarHBondContact O-N 3.15Å; L530-A532 VanDerWaalsContact O-N 3.09Å |
| 531 | N | 95.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 32.2 Ų | 32.2 | 58% | 0.578 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 18.7 | 179 | -56.5 | -27.2 | 0 | 0 | 0 | 116 | V508 I529 | V508-N531 PolarHBondContact N-O 3.39Å; V508-N531 VanDerWaalsContact N-O 3.11Å; I529-N531 PolarHBondContact O-N 3.15Å |
| 532 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 168.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V506 K511 I529 L530 | V506-A532 CarbonylContact O-C 3.59Å; V506-A532 WeakPolarHBondContact O-CA 3.27Å; V506-A532 WeakPolarHBondContact O-CB 3.48Å; K511-A532 VanDerWaalsContact CE-O 3.24Å; K511-A532 WeakPolarHBondContact CE-O 3.41Å; K511-A532 PolarHBondContact NZ-O 3.14Å; I529-A532 HydrophobicContact CB-CB 4.37Å; I529-A532 HydrophobicContact CG2-CB 3.89Å; I529-A532 PolarHBondContact O-N 3.25Å; L530-A532 PolarHBondContact O-N 3.15Å; L530-A532 VanDerWaalsContact O-N 3.09Å |
| 533 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.1 | 167.4 | -66.9 | 0 | 0 | 0 | 0 | 109.3 | V506 V508 K511 L515 L525 R526 I535 L553 | V506-V533 HydrophobicContact CB-CG2 4.3Å; V506-V533 PolarHBondContact N-O 3Å; V506-V533 PolarHBondContact O-N 2.95Å; V508-V533 HydrophobicContact CG1-CG2 4.22Å; V508-V533 HydrophobicContact CG2-CG1 4.19Å; K511-V533 HydrophobicContact CG-CG1 4.28Å; L515-V533 HydrophobicContact CD2-CG1 4.24Å; L525-V533 HydrophobicContact CB-CB 4.39Å; L525-V533 HydrophobicContact CD1-CB 4.27Å; L525-V533 HydrophobicContact CD1-CG1 4.42Å; L525-V533 HydrophobicContact CD1-CG2 4.2Å; R526-V533 WeakPolarHBondContact O-CA 3.42Å; V533-I535 HydrophobicContact CG2-CD1 4.47Å; V533-I535 HydrophobicContact CG2-CG1 4.43Å; V533-L553 HydrophobicContact CG2-CD2 3.92Å |
| 534 | G | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L504 R526 | L504-G534 CarbonylContact O-C 3.53Å; L504-G534 VanDerWaalsContact O-CA 3.3Å; L504-G534 WeakPolarHBondContact O-CA 3.34Å; R526-G534 PolarHBondContact N-O 3.49Å; R526-G534 PolarHBondContact O-N 3.41Å |
| 535 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 106.7 | -178.2 | -43.5 | 178.4 | 0 | 0 | 0 | 107.9 | Y197 L484 T503 L504 V506 L525 V533 L537 L549 L553 | Y197-I535 HydrophobicContact CG-CG2 4.24Å; Y197-I535 WeakPolarHBondContact O-CA 3.36Å; L484-I535 HydrophobicContact CD2-CD1 4.47Å; L484-I535 HydrophobicContact CD2-CG2 4.11Å; T503-I535 CarbonylContact C-O 3.52Å; T503-I535 VanDerWaalsContact CA-O 3.3Å; T503-I535 WeakPolarHBondContact CA-O 3.39Å; L504-I535 PolarHBondContact N-O 3.15Å; L504-I535 PolarHBondContact O-N 2.94Å; V506-I535 HydrophobicContact CG2-CD1 3.96Å; L525-I535 HydrophobicContact CD2-CG1 4.2Å; L525-I535 HydrophobicContact CD2-CG2 4.37Å; V533-I535 HydrophobicContact CG2-CD1 4.47Å; V533-I535 HydrophobicContact CG2-CG1 4.43Å; I535-L537 HydrophobicContact CG2-CD2 4.06Å; I535-L549 HydrophobicContact CG2-CD1 4.14Å; I535-L549 HydrophobicContact CG2-CD2 4.25Å; I535-L553 HydrophobicContact CD1-CD1 3.51Å; I535-L553 HydrophobicContact CD1-CD2 4.14Å; I535-L553 HydrophobicContact CD1-CG 4.39Å |
| 536 | T | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 113.9 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | Y197 G199 T203 D502 T503 | Y197-T536 WeakPolarHBondContact CA-O 3.38Å; Y197-T536 WeakPolarHBondContact CD1-O 3.49Å; Y197-T536 PolarHBondContact O-N 3.4Å; G199-T536 WeakPolarHBondContact CA-OG1 3.22Å; T203-T536 HydrophobicContact CG2-CG2 3.54Å; D502-T536 CarbonylContact O-C 3.58Å; D502-T536 WeakPolarHBondContact O-CA 3.37Å; T503-T536 VanDerWaalsContact CG2-OG1 3.32Å; T503-T536 WeakPolarHBondContact CG2-OG1 3.39Å; T503-T536 WeakPolarHBondContact OG1-CB 3.28Å; T503-T536 VanDerWaalsContact OG1-CG2 3.29Å; T503-T536 WeakPolarHBondContact OG1-CG2 3.04Å; T503-T536 PolarHBondContact OG1-OG1 3.11Å |
| 537 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -83 | 160.4 | 174.8 | -55.5 | -169.5 | 0 | 0 | 0 | 111.2 | Y197 L480 L484 D502 I535 T541 L549 | Y197-L537 HydrophobicContact CD1-CD2 3.92Å; Y197-L537 HydrophobicContact CE1-CD2 3.99Å; Y197-L537 HydrophobicContact CG-CD2 4.47Å; L480-L537 HydrophobicContact CB-CD1 4.06Å; L484-L537 HydrophobicContact CD2-CD1 4.23Å; L484-L537 HydrophobicContact CD2-CD2 4.27Å; D502-L537 PolarHBondContact O-N 3.47Å; I535-L537 HydrophobicContact CG2-CD2 4.06Å; L537-T541 HydrophobicContact CD1-CG2 4.3Å; L537-T541 HydrophobicContact CD2-CG2 4.26Å; L537-L549 HydrophobicContact CD2-CD1 3.68Å | ||
| 538 | D | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -146.6 | -173.8 | -173.6 | 65.4 | 44.3 | 0 | 0 | 0 | 113.7 | T203 A204 T540 T541 | T203-D538 HydrophobicContact CG2-CB 4.29Å; A204-D538 WeakPolarHBondContact CB-OD2 3.5Å; A204-D538 PolarHBondContact N-OD2 3.13Å; A204-D538 WeakPolarHBondContact O-CB 3.46Å; A204-D538 VanDerWaalsContact O-CG 3.27Å; D538-T540 PolarHBondContact O-N 3.31Å; D538-T540 WeakPolarHBondContact OD1-CA 3.28Å; D538-T540 WeakPolarHBondContact OD1-CB 3.48Å; D538-T540 PolarHBondContact OD1-N 2.96Å; D538-T540 PolarHBondContact OD1-OG1 3.42Å; D538-T541 PolarHBondContact N-OG1 3.36Å; D538-T541 PolarHBondContact O-N 2.91Å; D538-T541 PolarHBondContact O-OG1 3.23Å; D538-T541 PolarHBondContact OD1-N 2.97Å | ||
| 539 | E | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.2 | -176.8 | -178 | 178.9 | -150.3 | 0 | 0 | 112.7 | V205 Q206 Y461 I473 R476 I477 | V205-E539 WeakPolarHBondContact CG2-OE2 3.41Å; Q206-E539 HydrophobicContact CB-CG 4.34Å; Q206-E539 HydrophobicContact CG-CG 4.13Å; Q206-E539 PolarHBondContact N-OE2 2.81Å; Y461-E539 PolarHBondContact OH-OE1 2.85Å; Y461-E539 PolarHBondContact OH-OE2 3.44Å; Y461-E539 VanDerWaalsContact OH-OE2 3.05Å; I473-E539 WeakPolarHBondContact CD1-OE1 3.42Å; I473-E539 HydrophobicContact CG2-CB 4.31Å; I473-E539 HydrophobicContact CG2-CG 3.97Å; R476-E539 PolarHBondContact NH1-O 2.92Å; R476-E539 PolarHBondContact NH2-O 3.24Å; I477-E539 HydrophobicContact CD1-CB 4.29Å |
| 540 | T | 98.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -16.7 | -179.2 | 74 | 0 | 0 | 0 | 0 | 112.9 | A204 Q206 D538 T542 | A204-T540 HydrophobicContact CB-CG2 3.66Å; Q206-T540 HydrophobicContact CG-CG2 4.14Å; D538-T540 PolarHBondContact O-N 3.31Å; D538-T540 WeakPolarHBondContact OD1-CA 3.28Å; D538-T540 WeakPolarHBondContact OD1-CB 3.48Å; D538-T540 PolarHBondContact OD1-N 2.96Å; D538-T540 PolarHBondContact OD1-OG1 3.42Å; T540-T542 PolarHBondContact O-N 3.16Å |
| 541 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -59.2 | 132.6 | -178.5 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | R476 L480 L537 D538 N545 V546 | R476-T541 PolarHBondContact NH2-O 3.34Å; L480-T541 HydrophobicContact CD1-CG2 4.09Å; L480-T541 WeakPolarHBondContact CD1-O 3.36Å; L537-T541 HydrophobicContact CD1-CG2 4.3Å; L537-T541 HydrophobicContact CD2-CG2 4.26Å; D538-T541 PolarHBondContact N-OG1 3.36Å; D538-T541 PolarHBondContact O-N 2.91Å; D538-T541 PolarHBondContact O-OG1 3.23Å; D538-T541 PolarHBondContact OD1-N 2.97Å; T541-N545 HydrophobicContact CG2-CB 4.04Å; T541-V546 HydrophobicContact CG2-CG2 4.08Å | ||
| 542 | T | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 27.4 Ų | 27.4 | 33% | 0.331 | 13% | 0.134 | S | C | . | . | trans | -113.1 | 174 | 177.4 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | T540 E544 N545 V546 | T540-T542 PolarHBondContact O-N 3.16Å; T542-E544 VanDerWaalsContact C-N 3.28Å; T542-E544 WeakPolarHBondContact CB-OE2 3.26Å; T542-E544 PolarHBondContact O-N 3.36Å; T542-E544 PolarHBondContact OG1-OE2 3.45Å; T542-N545 PolarHBondContact N-OD1 3.05Å; T542-N545 PolarHBondContact O-N 2.95Å; T542-N545 PolarHBondContact OG1-N 3.03Å; T542-N545 PolarHBondContact OG1-OD1 3.21Å; T542-V546 PolarHBondContact O-N 2.77Å | ||
| 543 | R | 97.6 | Very high | 98.1 | Very high | 115 Ų | 115 | 27.9 Ų | 27.9 | 43% | 0.434 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62 | -39.6 | 174.8 | -70.3 | -178.7 | 166.3 | -149.5 | -11.5 | 111.1 | N545 V546 M547 I562 D563 D566 | R543-N545 VanDerWaalsContact C-N 3.34Å; R543-V546 PolarHBondContact O-N 3.38Å; R543-M547 PolarHBondContact O-N 2.71Å; R543-M547 VanDerWaalsContact O-N 3.15Å; R543-I562 HydrophobicContact CB-CD1 3.69Å; R543-I562 HydrophobicContact CG-CD1 3.9Å; R543-D563 IonicContact CZ-OD1 3.53Å; R543-D563 IonicContact NH1-OD1 3.45Å; R543-D563 PolarHBondContact NH1-OD1 2.86Å; R543-D563 IonicContact NH2-OD1 3.13Å; R543-D563 PolarHBondContact NH2-OD1 2.86Å; R543-D566 IonicContact NH2-OD2 3.49Å |
| 544 | E | 97 | Very high | 98 | Very high | 126 Ų | 126 | 29.9 Ų | 29.9 | 59% | 0.589 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -63.8 | -40.7 | 179 | -65.6 | 69.9 | -157.1 | 0 | 0 | 111 | T542 V546 M547 Q548 | T542-E544 VanDerWaalsContact C-N 3.28Å; T542-E544 WeakPolarHBondContact CB-OE2 3.26Å; T542-E544 PolarHBondContact O-N 3.36Å; T542-E544 PolarHBondContact OG1-OE2 3.45Å; E544-V546 PolarHBondContact O-N 2.87Å; E544-M547 PolarHBondContact O-N 3.47Å; E544-Q548 WeakPolarHBondContact O-CG 3.09Å; E544-Q548 PolarHBondContact O-N 2.68Å |
| 545 | N | 97.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.6 | -64 | 132.3 | 0 | 0 | 0 | 112.6 | Y197 T541 T542 R543 M547 Q548 L549 | Y197-N545 VanDerWaalsContact OH-CB 3.3Å; Y197-N545 WeakPolarHBondContact OH-CB 3.41Å; T541-N545 HydrophobicContact CG2-CB 4.04Å; T542-N545 PolarHBondContact N-OD1 3.05Å; T542-N545 PolarHBondContact O-N 2.95Å; T542-N545 PolarHBondContact OG1-N 3.03Å; T542-N545 PolarHBondContact OG1-OD1 3.21Å; R543-N545 VanDerWaalsContact C-N 3.34Å; N545-M547 VanDerWaalsContact C-N 3.3Å; N545-M547 PolarHBondContact O-N 3.33Å; N545-Q548 PolarHBondContact ND2-OE1 3.21Å; N545-Q548 WeakPolarHBondContact O-CB 3.34Å; N545-Q548 PolarHBondContact O-N 2.62Å; N545-L549 WeakPolarHBondContact O-CG 3.45Å; N545-L549 PolarHBondContact O-N 2.73Å |
| 546 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L480 I483 L484 T541 T542 R543 E544 L549 F550 I562 | L480-V546 HydrophobicContact CB-CG2 4.23Å; L480-V546 HydrophobicContact CD2-CG2 4.01Å; I483-V546 HydrophobicContact CG2-CG1 4.04Å; L484-V546 HydrophobicContact CB-CG1 4.26Å; L484-V546 HydrophobicContact CD1-CG1 4.46Å; T541-V546 HydrophobicContact CG2-CG2 4.08Å; T542-V546 PolarHBondContact O-N 2.77Å; R543-V546 PolarHBondContact O-N 3.38Å; E544-V546 PolarHBondContact O-N 2.87Å; V546-L549 WeakPolarHBondContact O-CB 3.23Å; V546-L549 PolarHBondContact O-N 3.03Å; V546-F550 HydrophobicContact CG1-CD2 4.3Å; V546-F550 HydrophobicContact CG1-CE2 3.73Å; V546-F550 HydrophobicContact CG1-CZ 4.05Å; V546-F550 WeakPolarHBondContact O-CD2 3.5Å; V546-F550 PolarHBondContact O-N 3.2Å; V546-I562 HydrophobicContact CB-CD1 4.19Å; V546-I562 HydrophobicContact CG1-CD1 4.32Å |
| 547 | M | 96.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 174 | -68.7 | -60.7 | -59.9 | 0 | 0 | 112.6 | R543 E544 N545 L549 F550 N551 I562 | R543-M547 PolarHBondContact O-N 2.71Å; R543-M547 VanDerWaalsContact O-N 3.15Å; E544-M547 PolarHBondContact O-N 3.47Å; N545-M547 VanDerWaalsContact C-N 3.3Å; N545-M547 PolarHBondContact O-N 3.33Å; M547-L549 VanDerWaalsContact C-N 3.34Å; M547-F550 WeakPolarHBondContact O-CB 3.34Å; M547-F550 PolarHBondContact O-N 3.28Å; M547-F550 HydrophobicContact SD-CD2 3.91Å; M547-F550 HydrophobicContact SD-CE2 4.33Å; M547-N551 PolarHBondContact O-N 2.82Å; M547-N551 PolarHBondContact O-ND2 3.33Å; M547-I562 HydrophobicContact SD-CB 4.22Å |
| 548 | Q | 97.2 | Very high | 96.3 | Very high | 83 Ų | 83 | 44.9 Ų | 44.9 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 173 | -73.2 | 176.3 | -29.1 | 0 | 0 | 111.7 | I523 E544 N545 F550 N551 V552 | I523-Q548 HydrophobicContact CD1-CB 4.13Å; E544-Q548 WeakPolarHBondContact O-CG 3.09Å; E544-Q548 PolarHBondContact O-N 2.68Å; N545-Q548 PolarHBondContact ND2-OE1 3.21Å; N545-Q548 WeakPolarHBondContact O-CB 3.34Å; N545-Q548 PolarHBondContact O-N 2.62Å; Q548-F550 VanDerWaalsContact C-N 3.32Å; Q548-F550 PolarHBondContact O-N 3.47Å; Q548-N551 WeakPolarHBondContact O-CB 3.41Å; Q548-N551 PolarHBondContact O-N 2.92Å; Q548-N551 VanDerWaalsContact O-N 3.16Å; Q548-V552 WeakPolarHBondContact O-CG2 3.43Å; Q548-V552 PolarHBondContact O-N 3.22Å |
| 549 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 174.9 | -75.7 | 170 | 0 | 0 | 0 | 112.1 | Y197 L484 I523 L525 I535 L537 N545 V546 M547 V552 L553 | Y197-L549 HydrophobicContact CD2-CD1 4.16Å; Y197-L549 HydrophobicContact CD2-CD2 3.74Å; Y197-L549 HydrophobicContact CD2-CG 4.34Å; Y197-L549 HydrophobicContact CE2-CD1 3.86Å; Y197-L549 HydrophobicContact CE2-CD2 3.79Å; Y197-L549 HydrophobicContact CE2-CG 3.96Å; L484-L549 HydrophobicContact CD1-CB 3.95Å; L484-L549 HydrophobicContact CD2-CD1 3.91Å; I523-L549 HydrophobicContact CG2-CD2 4.3Å; L525-L549 HydrophobicContact CD2-CD2 3.93Å; I535-L549 HydrophobicContact CG2-CD1 4.14Å; I535-L549 HydrophobicContact CG2-CD2 4.25Å; L537-L549 HydrophobicContact CD2-CD1 3.68Å; N545-L549 WeakPolarHBondContact O-CG 3.45Å; N545-L549 PolarHBondContact O-N 2.73Å; V546-L549 WeakPolarHBondContact O-CB 3.23Å; V546-L549 PolarHBondContact O-N 3.03Å; M547-L549 VanDerWaalsContact C-N 3.34Å; L549-V552 PolarHBondContact O-N 2.54Å; L549-L553 WeakPolarHBondContact O-CB 3.45Å; L549-L553 WeakPolarHBondContact O-CD1 3.48Å; L549-L553 WeakPolarHBondContact O-CG 3.36Å; L549-L553 PolarHBondContact O-N 3.32Å |
| 550 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 171.3 | -70 | -44.7 | 0 | 0 | 0 | 112.2 | L484 L488 V546 M547 Q548 V552 L553 L554 L560 L565 | L484-F550 HydrophobicContact CD1-CD1 3.96Å; L484-F550 HydrophobicContact CD1-CE1 3.71Å; L484-F550 HydrophobicContact CD1-CZ 4.3Å; L484-F550 WeakPolarHBondContact O-CE1 3.15Å; L488-F550 HydrophobicContact CD2-CD1 4.03Å; L488-F550 HydrophobicContact CD2-CE1 4.33Å; L488-F550 HydrophobicContact CG-CD1 4.37Å; L488-F550 HydrophobicContact CG-CE1 4.18Å; V546-F550 HydrophobicContact CG1-CD2 4.3Å; V546-F550 HydrophobicContact CG1-CE2 3.73Å; V546-F550 HydrophobicContact CG1-CZ 4.05Å; V546-F550 WeakPolarHBondContact O-CD2 3.5Å; V546-F550 PolarHBondContact O-N 3.2Å; M547-F550 WeakPolarHBondContact O-CB 3.34Å; M547-F550 PolarHBondContact O-N 3.28Å; M547-F550 HydrophobicContact SD-CD2 3.91Å; M547-F550 HydrophobicContact SD-CE2 4.33Å; Q548-F550 VanDerWaalsContact C-N 3.32Å; Q548-F550 PolarHBondContact O-N 3.47Å; F550-V552 VanDerWaalsContact C-N 3.31Å; F550-V552 PolarHBondContact O-N 3.16Å; F550-L553 PolarHBondContact O-N 2.99Å; F550-L554 HydrophobicContact CB-CD1 4.29Å; F550-L554 HydrophobicContact CD1-CD1 4.04Å; F550-L554 VanDerWaalsContact O-CB 3.23Å; F550-L554 WeakPolarHBondContact O-CB 3.41Å; F550-L554 PolarHBondContact O-N 3.47Å; F550-L560 HydrophobicContact CB-CD1 4.3Å; F550-L560 HydrophobicContact CD1-CD1 3.5Å; F550-L560 HydrophobicContact CD2-CB 4.42Å; F550-L560 HydrophobicContact CD2-CD1 3.89Å; F550-L560 HydrophobicContact CE1-CD1 3.65Å; F550-L560 HydrophobicContact CE2-CB 4.45Å; F550-L560 HydrophobicContact CE2-CD1 4.03Å; F550-L560 HydrophobicContact CG-CD1 3.65Å; F550-L560 HydrophobicContact CZ-CD1 3.92Å; F550-L565 HydrophobicContact CE2-CD1 3.95Å; F550-L565 HydrophobicContact CZ-CD1 3.79Å |
| 551 | N | 96.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 176.2 | -65.5 | -28 | 0 | 0 | 0 | 111.6 | M547 Q548 G555 H558 | M547-N551 PolarHBondContact O-N 2.82Å; M547-N551 PolarHBondContact O-ND2 3.33Å; Q548-N551 WeakPolarHBondContact O-CB 3.41Å; Q548-N551 PolarHBondContact O-N 2.92Å; Q548-N551 VanDerWaalsContact O-N 3.16Å; N551-G555 CarbonylContact O-C 3.43Å; N551-G555 WeakPolarHBondContact O-CA 3.33Å; N551-G555 PolarHBondContact O-N 3.19Å; N551-H558 PolarHBondContact OD1-CD2 3.38Å; N551-H558 PolarHBondContact OD1-NE2 2.95Å |
| 552 | V | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | V514 R517 A518 A521 I523 L525 Q548 L549 F550 | V514-V552 HydrophobicContact CG1-CG1 4.18Å; R517-V552 PolarHBondContact NE-O 2.99Å; R517-V552 PolarHBondContact NH2-O 2.91Å; A518-V552 HydrophobicContact CB-CG1 3.66Å; A521-V552 HydrophobicContact CB-CG2 4.02Å; I523-V552 HydrophobicContact CD1-CG2 4.18Å; L525-V552 HydrophobicContact CD1-CG1 4.22Å; Q548-V552 WeakPolarHBondContact O-CG2 3.43Å; Q548-V552 PolarHBondContact O-N 3.22Å; L549-V552 PolarHBondContact O-N 2.54Å; F550-V552 VanDerWaalsContact C-N 3.31Å; F550-V552 PolarHBondContact O-N 3.16Å |
| 553 | L | 97.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -83.4 | -33.7 | -173.1 | -68.9 | 159.5 | 0 | 0 | 0 | 113.6 | L484 L488 L493 V508 V514 V533 I535 L549 F550 | L484-L553 HydrophobicContact CD1-CD1 4.37Å; L488-L553 HydrophobicContact CD1-CD1 3.77Å; L488-L553 HydrophobicContact CD2-CB 3.65Å; L488-L553 HydrophobicContact CD2-CD1 3.5Å; L488-L553 VanDerWaalsContact CD2-CD1 3.5Å; L488-L553 HydrophobicContact CD2-CG 4.18Å; L488-L553 HydrophobicContact CG-CD1 4.25Å; L493-L553 HydrophobicContact CD2-CB 4.25Å; V508-L553 HydrophobicContact CG1-CD2 4.37Å; V514-L553 HydrophobicContact CG1-CD2 3.93Å; V533-L553 HydrophobicContact CG2-CD2 3.92Å; I535-L553 HydrophobicContact CD1-CD1 3.51Å; I535-L553 HydrophobicContact CD1-CD2 4.14Å; I535-L553 HydrophobicContact CD1-CG 4.39Å; L549-L553 WeakPolarHBondContact O-CB 3.45Å; L549-L553 WeakPolarHBondContact O-CD1 3.48Å; L549-L553 WeakPolarHBondContact O-CG 3.36Å; L549-L553 PolarHBondContact O-N 3.32Å; F550-L553 PolarHBondContact O-N 2.99Å |
| 554 | L | 96.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -111.9 | -15.2 | -170.7 | -54.5 | 173.5 | 0 | 0 | 0 | 113.6 | L488 K491 L493 F550 H558 L560 | L488-L554 HydrophobicContact CD2-CD1 4.31Å; L488-L554 HydrophobicContact CD2-CD2 4.13Å; L488-L554 HydrophobicContact CD2-CG 4.11Å; K491-L554 HydrophobicContact CB-CD1 3.94Å; K491-L554 HydrophobicContact CB-CD2 3.71Å; K491-L554 HydrophobicContact CB-CG 4.44Å; K491-L554 HydrophobicContact CG-CD1 3.79Å; K491-L554 HydrophobicContact CG-CD2 4.48Å; L493-L554 HydrophobicContact CD1-CD2 3.31Å; L493-L554 HydrophobicContact CD2-CD2 3.93Å; L493-L554 HydrophobicContact CG-CD2 4.23Å; F550-L554 HydrophobicContact CB-CD1 4.29Å; F550-L554 HydrophobicContact CD1-CD1 4.04Å; F550-L554 VanDerWaalsContact O-CB 3.23Å; F550-L554 WeakPolarHBondContact O-CB 3.41Å; F550-L554 PolarHBondContact O-N 3.47Å; L554-H558 HydrophobicContact CB-CB 3.98Å; L554-H558 HydrophobicContact CD1-CB 3.91Å; L554-L560 HydrophobicContact CD1-CD1 3.6Å |
| 555 | G | 92.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | trans | 82.8 | 171 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N551 | N551-G555 CarbonylContact O-C 3.43Å; N551-G555 WeakPolarHBondContact O-CA 3.33Å; N551-G555 PolarHBondContact O-N 3.19Å | ||
| 556 | D | 86.4 | Confident | 95.3 | Very high | 125 Ų | 125 | 44.9 Ų | 44.9 | 67% | 0.668 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 159.6 | 178.2 | -60.6 | -29.5 | 0 | 0 | 0 | 111.9 | H558 | D556-H558 PolarHBondContact O-N 3.28Š|
| 557 | N | 87.7 | Confident | 95.2 | Very high | 162 Ų | 162 | 51.9 Ų | 51.9 | 87% | 0.866 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 27.8 | 177.3 | -51.8 | -61.9 | 0 | 0 | 0 | 114.3 | G559 | N557-G559 PolarHBondContact O-N 2.95Å; N557-G559 VanDerWaalsContact O-N 3.16Å |
| 558 | H | 93.3 | Very high | 95 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | trans | -59.5 | -23.7 | 173.9 | 60.6 | 80 | 0 | 0 | 0 | 112.8 | K491 N551 L554 D556 L560 | K491-H558 WeakPolarHBondContact CE-O 3.1Å; K491-H558 PolarHBondContact NZ-O 3.37Å; N551-H558 PolarHBondContact OD1-CD2 3.38Å; N551-H558 PolarHBondContact OD1-NE2 2.95Å; L554-H558 HydrophobicContact CB-CB 3.98Å; L554-H558 HydrophobicContact CD1-CB 3.91Å; D556-H558 PolarHBondContact O-N 3.28Å; H558-L560 VanDerWaalsContact C-N 3.33Å; H558-L560 WeakPolarHBondContact ND1-CB 3.44Å; H558-L560 VanDerWaalsContact ND1-CG 3.3Å; H558-L560 WeakPolarHBondContact ND1-CG 3.41Å; H558-L560 PolarHBondContact ND1-N 3.36Å; H558-L560 PolarHBondContact O-N 3.04Å | ||
| 559 | G | 94.5 | Very high | 94.9 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | trans | 67.9 | 29.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N557 | N557-G559 PolarHBondContact O-N 2.95Å; N557-G559 VanDerWaalsContact O-N 3.16Å | ||
| 560 | L | 96.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | trans | -87.5 | 143.8 | 171.4 | -60.3 | 165.7 | 0 | 0 | 0 | 108.7 | Q490 K491 F550 L554 H558 L565 | Q490-L560 HydrophobicContact CB-CD2 4.42Å; Q490-L560 HydrophobicContact CG-CD2 4.49Å; K491-L560 HydrophobicContact CD-CD2 4.44Å; K491-L560 VanDerWaalsContact CE-CD2 3.47Å; K491-L560 HydrophobicContact CG-CD1 4.2Å; K491-L560 HydrophobicContact CG-CD2 4.03Å; K491-L560 HydrophobicContact CG-CG 4.28Å; F550-L560 HydrophobicContact CB-CD1 4.3Å; F550-L560 HydrophobicContact CD1-CD1 3.5Å; F550-L560 HydrophobicContact CD2-CB 4.42Å; F550-L560 HydrophobicContact CD2-CD1 3.89Å; F550-L560 HydrophobicContact CE1-CD1 3.65Å; F550-L560 HydrophobicContact CE2-CB 4.45Å; F550-L560 HydrophobicContact CE2-CD1 4.03Å; F550-L560 HydrophobicContact CG-CD1 3.65Å; F550-L560 HydrophobicContact CZ-CD1 3.92Å; L554-L560 HydrophobicContact CD1-CD1 3.6Å; H558-L560 VanDerWaalsContact C-N 3.33Å; H558-L560 WeakPolarHBondContact ND1-CB 3.44Å; H558-L560 VanDerWaalsContact ND1-CG 3.3Å; H558-L560 WeakPolarHBondContact ND1-CG 3.41Å; H558-L560 PolarHBondContact ND1-N 3.36Å; H558-L560 PolarHBondContact O-N 3.04Å; L560-L565 HydrophobicContact CB-CD1 4.22Å; L560-L565 HydrophobicContact CD2-CD1 4.46Å | ||
| 561 | D | 94.4 | Very high | 94.2 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | trans | -118.8 | 123.4 | 175.6 | 170.7 | 49.1 | 0 | 0 | 0 | 109.2 | D563 T564 L565 | D561-D563 PolarHBondContact O-N 3.42Å; D561-T564 PolarHBondContact O-N 2.86Å; D561-T564 VanDerWaalsContact OD2-CB 3.29Å; D561-T564 WeakPolarHBondContact OD2-CB 3.48Å; D561-T564 PolarHBondContact OD2-N 3.41Å; D561-T564 PolarHBondContact OD2-OG1 2.85Å; D561-L565 WeakPolarHBondContact O-CG 3.38Å; D561-L565 PolarHBondContact O-N 3.03Å; D561-L565 VanDerWaalsContact O-N 3.08Å | ||
| 562 | I | 95.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.5 | -35.5 | -172.5 | -158.1 | 174.7 | 0 | 0 | 0 | 112.2 | I483 R543 V546 M547 T564 L565 D566 | I483-I562 HydrophobicContact CG2-CD1 4.36Å; I483-I562 HydrophobicContact CG2-CG1 3.72Å; R543-I562 HydrophobicContact CB-CD1 3.69Å; R543-I562 HydrophobicContact CG-CD1 3.9Å; V546-I562 HydrophobicContact CB-CD1 4.19Å; V546-I562 HydrophobicContact CG1-CD1 4.32Å; M547-I562 HydrophobicContact SD-CB 4.22Å; I562-T564 VanDerWaalsContact C-N 3.35Å; I562-L565 PolarHBondContact O-N 3.16Å; I562-D566 VanDerWaalsContact O-CB 3.26Å; I562-D566 WeakPolarHBondContact O-CB 3.42Å; I562-D566 PolarHBondContact O-N 3.35Å |
| 563 | D | 95.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72 | -31.8 | -179.5 | -72.7 | -37.2 | 0 | 0 | 0 | 111.5 | R543 D561 K567 | R543-D563 IonicContact CZ-OD1 3.53Å; R543-D563 IonicContact NH1-OD1 3.45Å; R543-D563 PolarHBondContact NH1-OD1 2.86Å; R543-D563 IonicContact NH2-OD1 3.13Å; R543-D563 PolarHBondContact NH2-OD1 2.86Å; D561-D563 PolarHBondContact O-N 3.42Å; D563-K567 VanDerWaalsContact O-CG 3.31Å; D563-K567 WeakPolarHBondContact O-CG 3.08Å; D563-K567 PolarHBondContact O-N 3.42Å; D563-K567 VanDerWaalsContact O-N 3.17Å |
| 564 | T | 95.1 | Very high | 92.9 | Very high | 69 Ų | 69 | 73.4 Ų | 73.4 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.6 | -49.6 | 171.1 | -61.2 | 0 | 0 | 0 | 0 | 111 | D561 I562 D566 K567 D568 | D561-T564 PolarHBondContact O-N 2.86Å; D561-T564 VanDerWaalsContact OD2-CB 3.29Å; D561-T564 WeakPolarHBondContact OD2-CB 3.48Å; D561-T564 PolarHBondContact OD2-N 3.41Å; D561-T564 PolarHBondContact OD2-OG1 2.85Å; I562-T564 VanDerWaalsContact C-N 3.35Å; T564-D566 VanDerWaalsContact C-N 3.34Å; T564-D566 PolarHBondContact O-N 2.78Å; T564-K567 PolarHBondContact O-N 2.94Å; T564-D568 PolarHBondContact O-N 2.84Å; T564-D568 VanDerWaalsContact O-N 3.11Å |
| 565 | L | 96.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.4 | -70.7 | 170.1 | 0 | 0 | 0 | 111.8 | I483 A486 F550 L560 D561 I562 K567 D568 V569 | I483-L565 HydrophobicContact CG2-CB 4Å; I483-L565 HydrophobicContact CG2-CD1 4.21Å; A486-L565 HydrophobicContact CB-CD2 4.11Å; F550-L565 HydrophobicContact CE2-CD1 3.95Å; F550-L565 HydrophobicContact CZ-CD1 3.79Å; L560-L565 HydrophobicContact CB-CD1 4.22Å; L560-L565 HydrophobicContact CD2-CD1 4.46Å; D561-L565 WeakPolarHBondContact O-CG 3.38Å; D561-L565 PolarHBondContact O-N 3.03Å; D561-L565 VanDerWaalsContact O-N 3.08Å; I562-L565 PolarHBondContact O-N 3.16Å; L565-K567 PolarHBondContact O-N 2.74Å; L565-D568 PolarHBondContact O-N 3.4Å; L565-V569 WeakPolarHBondContact O-CG2 3.48Å; L565-V569 PolarHBondContact O-N 2.84Å |
| 566 | D | 97 | Very high | 93.1 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 176.9 | -177.5 | 44.5 | 0 | 0 | 0 | 111.5 | R479 I483 R543 I562 T564 D568 V569 A570 | R479-D566 WeakPolarHBondContact CD-OD1 3.35Å; I483-D566 HydrophobicContact CD1-CB 3.74Å; I483-D566 HydrophobicContact CG1-CB 4.33Å; R543-D566 IonicContact NH2-OD2 3.49Å; I562-D566 VanDerWaalsContact O-CB 3.26Å; I562-D566 WeakPolarHBondContact O-CB 3.42Å; I562-D566 PolarHBondContact O-N 3.35Å; T564-D566 VanDerWaalsContact C-N 3.34Å; T564-D566 PolarHBondContact O-N 2.78Å; D566-D568 VanDerWaalsContact C-N 3.32Å; D566-D568 PolarHBondContact O-N 3.26Å; D566-V569 WeakPolarHBondContact O-CG2 3.35Å; D566-V569 PolarHBondContact O-N 3.03Å; D566-A570 WeakPolarHBondContact O-CA 3.35Å; D566-A570 WeakPolarHBondContact O-CB 3.43Å; D566-A570 PolarHBondContact O-N 2.9Å |
| 567 | K | 95 | Very high | 93.5 | Very high | 148 Ų | 148 | 67.9 Ų | 67.9 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.5 | -43.8 | 175.9 | -78.2 | 171.3 | -176.5 | 167.5 | 0 | 112.3 | D563 T564 L565 H571 | D563-K567 VanDerWaalsContact O-CG 3.31Å; D563-K567 WeakPolarHBondContact O-CG 3.08Å; D563-K567 PolarHBondContact O-N 3.42Å; D563-K567 VanDerWaalsContact O-N 3.17Å; T564-K567 PolarHBondContact O-N 2.94Å; L565-K567 PolarHBondContact O-N 2.74Å; K567-H571 PolarHBondContact O-N 3.33Å |
| 568 | D | 93.5 | Very high | 93.8 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -49.6 | -178.6 | -69.1 | -16.4 | 0 | 0 | 0 | 110.8 | T564 L565 D566 A570 H571 D572 | T564-D568 PolarHBondContact O-N 2.84Å; T564-D568 VanDerWaalsContact O-N 3.11Å; L565-D568 PolarHBondContact O-N 3.4Å; D566-D568 VanDerWaalsContact C-N 3.32Å; D566-D568 PolarHBondContact O-N 3.26Å; D568-A570 VanDerWaalsContact C-N 3.31Å; D568-A570 PolarHBondContact O-N 3.41Å; D568-H571 PolarHBondContact O-N 3.13Å; D568-D572 PolarHBondContact O-N 2.95Å |
| 569 | V | 94.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 9% | 0.085 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69 | -31.4 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 112 | R479 D482 I483 A486 L565 D566 H571 D572 S573 | R479-V569 VanDerWaalsContact CD-CG2 3.46Å; R479-V569 PolarHBondContact NH1-O 2.94Å; D482-V569 HydrophobicContact CB-CB 4.11Å; D482-V569 HydrophobicContact CB-CG1 4.09Å; D482-V569 HydrophobicContact CB-CG2 4.32Å; I483-V569 HydrophobicContact CG1-CG2 3.65Å; A486-V569 HydrophobicContact CB-CG1 3.86Å; L565-V569 WeakPolarHBondContact O-CG2 3.48Å; L565-V569 PolarHBondContact O-N 2.84Å; D566-V569 WeakPolarHBondContact O-CG2 3.35Å; D566-V569 PolarHBondContact O-N 3.03Å; V569-H571 PolarHBondContact O-N 3.09Å; V569-D572 PolarHBondContact O-N 2.92Å; V569-S573 PolarHBondContact O-N 3.44Å; V569-S573 VanDerWaalsContact O-N 3.14Å |
| 570 | A | 92.9 | Very high | 94 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.8 | -28.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R479 D566 D568 | R479-A570 VanDerWaalsContact CZ-CA 3.5Å; D566-A570 WeakPolarHBondContact O-CA 3.35Å; D566-A570 WeakPolarHBondContact O-CB 3.43Å; D566-A570 PolarHBondContact O-N 2.9Å; D568-A570 VanDerWaalsContact C-N 3.31Å; D568-A570 PolarHBondContact O-N 3.41Å |
| 571 | H | 88.6 | Confident | 94 | Very high | 174 Ų | 174 | 68 Ų | 68 | 81% | 0.806 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -81.3 | -39.1 | 177.2 | -166.8 | 65.7 | 0 | 0 | 0 | 113.3 | K567 D568 V569 | K567-H571 PolarHBondContact O-N 3.33Å; D568-H571 PolarHBondContact O-N 3.13Å; V569-H571 PolarHBondContact O-N 3.09Å |
| 572 | D | 85.5 | Confident | 94.2 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | trans | -147.5 | 65.8 | -170.8 | -168 | 26.2 | 0 | 0 | 0 | 112.9 | D568 V569 R574 | D568-D572 PolarHBondContact O-N 2.95Å; V569-D572 PolarHBondContact O-N 2.92Å; D572-R574 VanDerWaalsContact CG-NH2 3.29Å; D572-R574 IonicContact OD1-CZ 2.85Å; D572-R574 IonicContact OD1-NE 2.76Å; D572-R574 PolarHBondContact OD1-NE 3.17Å; D572-R574 IonicContact OD1-NH2 3.08Å; D572-R574 PolarHBondContact OD1-NH2 2.76Å; D572-R574 VanDerWaalsContact OD1-NH2 3.08Å; D572-R574 IonicContact OD2-CZ 3.34Å; D572-R574 IonicContact OD2-NE 2.75Å; D572-R574 PolarHBondContact OD2-NE 3.32Å; D572-R574 IonicContact OD2-NH2 3.26Å; D572-R574 PolarHBondContact OD2-NH2 3.31Å | ||
| 573 | S | 88.1 | Confident | 94.1 | Very high | 50 Ų | 50 | 71.5 Ų | 71.5 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | trans | -80.9 | 128.6 | 168.7 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | D482 V569 S575 | D482-S573 VanDerWaalsContact OD2-CB 3.23Å; D482-S573 WeakPolarHBondContact OD2-CB 3.44Å; D482-S573 PolarHBondContact OD2-OG 3.46Å; V569-S573 PolarHBondContact O-N 3.44Å; V569-S573 VanDerWaalsContact O-N 3.14Å; S573-S575 PolarHBondContact OG-OG 2.95Å | ||
| 574 | R | 91.7 | Very high | 94.1 | Very high | 177 Ų | 177 | 70.1 Ų | 70.1 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | trans | -130 | 12.7 | -178.8 | -58.1 | -174 | -174.5 | 171.4 | 6.7 | 113.5 | H499 D572 | H499-R574 PolarHBondContact ND1-O 2.98Å; D572-R574 VanDerWaalsContact CG-NH2 3.29Å; D572-R574 IonicContact OD1-CZ 2.85Å; D572-R574 IonicContact OD1-NE 2.76Å; D572-R574 PolarHBondContact OD1-NE 3.17Å; D572-R574 IonicContact OD1-NH2 3.08Å; D572-R574 PolarHBondContact OD1-NH2 2.76Å; D572-R574 VanDerWaalsContact OD1-NH2 3.08Å; D572-R574 IonicContact OD2-CZ 3.34Å; D572-R574 IonicContact OD2-NE 2.75Å; D572-R574 PolarHBondContact OD2-NE 3.32Å; D572-R574 IonicContact OD2-NH2 3.26Å; D572-R574 PolarHBondContact OD2-NH2 3.31Å | ||
| 575 | S | 96.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.028 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -71.7 | -35.4 | -178 | 44.5 | 0 | 0 | 0 | 0 | 111.6 | H478 D482 H499 Y500 S573 | H478-S575 PolarHBondContact CE1-OG 3.04Å; H478-S575 PolarHBondContact NE2-OG 3.13Å; D482-S575 VanDerWaalsContact OD1-CB 3.24Å; D482-S575 WeakPolarHBondContact OD1-CB 3.4Å; D482-S575 PolarHBondContact OD1-OG 3.39Å; D482-S575 PolarHBondContact OD2-OG 3.05Å; H499-S575 WeakPolarHBondContact CA-O 3.48Å; H499-S575 VanDerWaalsContact CB-O 3.24Å; H499-S575 WeakPolarHBondContact CB-O 3.33Å; H499-S575 PolarHBondContact ND1-O 3.21Å; Y500-S575 PolarHBondContact N-O 3.28Å; S573-S575 PolarHBondContact OG-OG 2.95Å |
| 576 | I | 97 | Very high | 94.3 | Very high | 12 Ų | 12 | 74.2 Ų | 74.2 | 6% | 0.062 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -88.1 | 124.8 | 165.6 | -58.7 | 171.4 | 0 | 0 | 0 | 109.3 | I339 L367 L368 M580 L581 | I339-I576 HydrophobicContact CD1-CB 4.47Å; I339-I576 HydrophobicContact CD1-CG1 3.82Å; I339-I576 HydrophobicContact CD1-CG2 4.48Å; L367-I576 HydrophobicContact CB-CD1 4.39Å; L367-I576 HydrophobicContact CD1-CD1 4.37Å; L368-I576 HydrophobicContact CD2-CD1 4.06Å; L368-I576 HydrophobicContact CD2-CG1 4.24Å; L368-I576 HydrophobicContact CD2-CG2 3.72Å; I576-M580 HydrophobicContact CG2-CB 4.16Å; I576-L581 HydrophobicContact CB-CD2 4.03Å; I576-L581 HydrophobicContact CD1-CD2 4.4Å; I576-L581 HydrophobicContact CG2-CD2 3.66Å; I576-L581 HydrophobicContact CG2-CG 3.88Å |
| 577 | Q | 94.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 72.1 Ų | 72.1 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | trans | -61.1 | 139.3 | 175.8 | -61.4 | 179 | 28.7 | 0 | 0 | 110.2 | H499 A579 M580 L581 | H499-Q577 HydrophobicContact CB-CG 4.27Å; H499-Q577 PolarHBondContact CD2-NE2 2.79Å; H499-Q577 WeakPolarHBondContact ND1-CG 3.4Å; Q577-A579 PolarHBondContact O-N 2.76Å; Q577-A579 VanDerWaalsContact O-N 3.11Å; Q577-M580 HydrophobicContact CB-CB 4.31Å; Q577-M580 HydrophobicContact CB-CG 4.29Å; Q577-M580 WeakPolarHBondContact O-CA 3.45Å; Q577-M580 PolarHBondContact O-N 3.44Å; Q577-L581 PolarHBondContact O-N 3.28Å | ||
| 578 | P | 94.3 | Very high | 94.4 | Very high | 115 Ų | 115 | 69.1 Ų | 69.1 | 75% | 0.747 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -54.7 | -34.3 | 180 | -29.4 | 35.7 | 0 | 0 | 0 | 114.7 | M580 L581 | P578-M580 PolarHBondContact O-N 2.88Å; P578-L581 PolarHBondContact O-N 2.94Å |
| 579 | A | 94.6 | Very high | 94.6 | Very high | 64 Ų | 64 | 65.6 Ų | 65.6 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -69 | -21.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T369 Q577 | T369-A579 PolarHBondContact OG1-O 3.3Å; Q577-A579 PolarHBondContact O-N 2.76Å; Q577-A579 VanDerWaalsContact O-N 3.11Å |
| 580 | M | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -97.8 | -2.9 | 179.6 | -68.7 | -59.2 | -66.3 | 0 | 0 | 113 | Q332 I339 H340 D341 L368 T369 I576 Q577 P578 | Q332-M580 HydrophobicContact CG-CE 4.38Å; I339-M580 HydrophobicContact CG2-CB 4.1Å; I339-M580 HydrophobicContact CG2-CE 3.91Å; I339-M580 HydrophobicContact CG2-CG 3.95Å; H340-M580 VanDerWaalsContact O-CE 3.24Å; H340-M580 WeakPolarHBondContact O-CE 3.33Å; D341-M580 VanDerWaalsContact CA-SD 3.59Å; D341-M580 HydrophobicContact CB-CG 3.95Å; D341-M580 HydrophobicContact CB-SD 3.61Å; L368-M580 CarbonylContact C-O 3.5Å; L368-M580 VanDerWaalsContact CA-O 3.23Å; L368-M580 WeakPolarHBondContact CA-O 3.4Å; T369-M580 PolarHBondContact N-O 3.47Å; T369-M580 WeakPolarHBondContact OG1-CA 3.23Å; T369-M580 PolarHBondContact OG1-O 2.97Å; I576-M580 HydrophobicContact CG2-CB 4.16Å; Q577-M580 HydrophobicContact CB-CB 4.31Å; Q577-M580 HydrophobicContact CB-CG 4.29Å; Q577-M580 WeakPolarHBondContact O-CA 3.45Å; Q577-M580 PolarHBondContact O-N 3.44Å; P578-M580 PolarHBondContact O-N 2.88Å |
| 581 | L | 97.1 | Very high | 94.9 | Very high | 88 Ų | 88 | 65 Ų | 65 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -73.9 | 127.1 | 171.8 | -74.1 | 170.6 | 0 | 0 | 0 | 110 | I576 Q577 P578 D583 | I576-L581 HydrophobicContact CB-CD2 4.03Å; I576-L581 HydrophobicContact CD1-CD2 4.4Å; I576-L581 HydrophobicContact CG2-CD2 3.66Å; I576-L581 HydrophobicContact CG2-CG 3.88Å; Q577-L581 PolarHBondContact O-N 3.28Å; P578-L581 PolarHBondContact O-N 2.94Å; L581-D583 PolarHBondContact O-N 3.2Å |
| 582 | R | 97.5 | Very high | 95.4 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | trans | -64.1 | 128.5 | 177.8 | -168.7 | 168.7 | -169 | 135.7 | 7 | 111.5 | D249 L250 L365 L367 D584 I586 | D249-R582 PolarHBondContact O-NH2 3.3Å; L250-R582 PolarHBondContact O-NH1 3.22Å; L365-R582 WeakPolarHBondContact O-CD 3.22Å; L365-R582 PolarHBondContact O-NH1 2.7Å; L367-R582 VanDerWaalsContact O-CB 3.26Å; L367-R582 WeakPolarHBondContact O-CB 3.09Å; L367-R582 PolarHBondContact O-N 2.83Å; R582-D584 WeakPolarHBondContact CG-OD1 3.44Å; R582-D584 IonicContact CZ-OD1 3.53Å; R582-D584 IonicContact CZ-OD2 2.79Å; R582-D584 IonicContact NE-OD1 3.75Å; R582-D584 PolarHBondContact NE-OD1 3.43Å; R582-D584 IonicContact NE-OD2 2.99Å; R582-D584 PolarHBondContact NE-OD2 3.31Å; R582-D584 IonicContact NH2-OD1 3.35Å; R582-D584 IonicContact NH2-OD2 2.8Å; R582-D584 PolarHBondContact NH2-OD2 2.95Å; R582-I586 VanDerWaalsContact NH2-CG2 3.34Å | ||
| 583 | D | 94.7 | Very high | 96 | Very high | 138 Ų | 138 | 56.2 Ų | 56.2 | 74% | 0.738 | 30% | 0.302 | S | S | * | . | trans | -113.8 | -6 | -175.7 | 68.3 | -10.8 | 0 | 0 | 0 | 114.6 | K373 L581 | K373-D583 IonicContact NZ-OD1 3.86Å; K373-D583 PolarHBondContact NZ-OD1 3.38Å; L581-D583 PolarHBondContact O-N 3.2Å | ||
| 584 | D | 95 | Very high | 96.4 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -98.5 | 160.7 | 175.3 | 57.4 | -45.3 | 0 | 0 | 0 | 113.9 | K373 R582 | K373-D584 VanDerWaalsContact CE-CG 3.48Å; K373-D584 IonicContact NZ-OD1 3.18Å; K373-D584 PolarHBondContact NZ-OD1 3.02Å; K373-D584 IonicContact NZ-OD2 2.68Å; K373-D584 PolarHBondContact NZ-OD2 3.14Å; R582-D584 WeakPolarHBondContact CG-OD1 3.44Å; R582-D584 IonicContact CZ-OD1 3.53Å; R582-D584 IonicContact CZ-OD2 2.79Å; R582-D584 IonicContact NE-OD1 3.75Å; R582-D584 PolarHBondContact NE-OD1 3.43Å; R582-D584 IonicContact NE-OD2 2.99Å; R582-D584 PolarHBondContact NE-OD2 3.31Å; R582-D584 IonicContact NH2-OD1 3.35Å; R582-D584 IonicContact NH2-OD2 2.8Å; R582-D584 PolarHBondContact NH2-OD2 2.95Å |
| 585 | E | 96.3 | Very high | 96.6 | Very high | 159 Ų | 159 | 53.1 Ų | 53.1 | 74% | 0.743 | 28% | 0.283 | S | S | * | . | trans | -73.5 | 147.7 | 168.2 | -59.3 | -172.4 | 148.8 | 0 | 0 | 110.8 | T588 | E585-T588 HydrophobicContact CB-CG2 3.59Š| ||
| 586 | I | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | trans | -126.7 | 153.7 | 176.4 | 60.3 | 177 | 0 | 0 | 0 | 108.7 | L250 V366 P467 R582 T588 | L250-I586 HydrophobicContact CD2-CB 4.42Å; L250-I586 HydrophobicContact CD2-CD1 3.9Å; L250-I586 HydrophobicContact CD2-CG2 4.29Å; V366-I586 HydrophobicContact CB-CD1 4.45Å; V366-I586 HydrophobicContact CG1-CD1 4Å; P467-I586 HydrophobicContact CB-CG1 4.07Å; P467-I586 WeakPolarHBondContact CB-O 3.26Å; R582-I586 VanDerWaalsContact NH2-CG2 3.34Å; I586-T588 PolarHBondContact O-N 2.88Å | ||
| 587 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | 54.6 | 42.7 | 171.7 | -51.2 | -178.9 | 0 | 0 | 0 | 111.9 | V246 D249 A462 P467 L470 H589 F592 N593 | V246-L587 HydrophobicContact CB-CD2 4.29Å; V246-L587 HydrophobicContact CG2-CD2 3.9Å; D249-L587 HydrophobicContact CB-CD2 4.06Å; D249-L587 WeakPolarHBondContact OD2-CA 3.45Å; D249-L587 PolarHBondContact OD2-N 2.74Å; A462-L587 HydrophobicContact CB-CD1 4.41Å; P467-L587 HydrophobicContact CB-CB 4.29Å; P467-L587 HydrophobicContact CG-CB 4.41Å; L470-L587 HydrophobicContact CD1-CD1 3.45Å; L470-L587 VanDerWaalsContact CD1-CD1 3.45Å; L587-H589 VanDerWaalsContact C-N 3.26Å; L587-H589 PolarHBondContact O-N 3.17Å; L587-F592 HydrophobicContact CB-CB 3.84Å; L587-F592 HydrophobicContact CB-CD2 3.81Å; L587-F592 HydrophobicContact CB-CG 3.85Å; L587-F592 HydrophobicContact CD2-CD1 4.43Å; L587-F592 HydrophobicContact CD2-CD2 4.1Å; L587-F592 HydrophobicContact CD2-CE1 4.42Å; L587-F592 HydrophobicContact CD2-CE2 4.07Å; L587-F592 HydrophobicContact CD2-CG 4.3Å; L587-F592 HydrophobicContact CD2-CZ 4.24Å; L587-F592 HydrophobicContact CG-CG 4.47Å; L587-N593 PolarHBondContact O-ND2 2.9Å | ||
| 588 | T | 97.3 | Very high | 97 | Very high | 85 Ų | 85 | 61 Ų | 61 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | trans | -76 | -18 | -177.9 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | E585 I586 | E585-T588 HydrophobicContact CB-CG2 3.59Å; I586-T588 PolarHBondContact O-N 2.88Å | ||
| 589 | H | 97 | Very high | 97.2 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -57.2 | 134.4 | 175.1 | -170 | -99.1 | 0 | 0 | 0 | 110 | L587 V591 F592 N593 C1063 V1064 | L587-H589 VanDerWaalsContact C-N 3.26Å; L587-H589 PolarHBondContact O-N 3.17Å; H589-V591 HydrophobicContact CB-CG1 4.38Å; H589-V591 WeakPolarHBondContact ND1-CB 3.47Å; H589-V591 WeakPolarHBondContact ND1-CG1 3.35Å; H589-V591 PolarHBondContact ND1-N 2.89Å; H589-V591 PolarHBondContact O-N 3.02Å; H589-F592 HydrophobicContact CB-CD2 3.93Å; H589-F592 HydrophobicContact CB-CE2 4Å; H589-F592 PolarHBondContact O-N 2.63Å; H589-F592 VanDerWaalsContact O-N 3.09Å; H589-N593 PolarHBondContact O-ND2 3.3Å; H589-N593 VanDerWaalsContact O-ND2 3.09Å; H589-C1063 HydrophobicContact CB-CB 4.44Å; H589-V1064 PolarHBondContact NE2-O 3.22Å |
| 590 | P | 96.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -58.1 | -23.3 | -175.6 | -32 | 38.4 | 0 | 0 | 0 | 115.5 | F592 N593 R594 I1066 | P590-F592 PolarHBondContact O-N 3Å; P590-N593 CarbonylContact O-C 3.56Å; P590-N593 PolarHBondContact O-N 3.12Å; P590-R594 WeakPolarHBondContact O-CG 3.41Å; P590-R594 PolarHBondContact O-N 3.04Å; P590-I1066 HydrophobicContact CB-CD1 3.21Å; P590-I1066 HydrophobicContact CB-CG1 3.81Å; P590-I1066 HydrophobicContact CG-CD1 3.86Å; P590-I1066 HydrophobicContact CG-CG1 3.99Å |
| 591 | V | 97 | Very high | 97.4 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -54.3 | -39.8 | 176 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | V463 H589 N593 Y595 Y604 | V463-V591 WeakPolarHBondContact CG1-O 3.31Å; V463-V591 HydrophobicContact CG2-CG2 4.22Å; H589-V591 HydrophobicContact CB-CG1 4.38Å; H589-V591 WeakPolarHBondContact ND1-CB 3.47Å; H589-V591 WeakPolarHBondContact ND1-CG1 3.35Å; H589-V591 PolarHBondContact ND1-N 2.89Å; H589-V591 PolarHBondContact O-N 3.02Å; V591-N593 PolarHBondContact O-N 2.9Å; V591-Y595 HydrophobicContact CG2-CD2 4.42Å; V591-Y595 HydrophobicContact CG2-CE2 4.01Å; V591-Y595 WeakPolarHBondContact O-CD2 3.31Å; V591-Y604 HydrophobicContact CG2-CE1 4.31Å |
| 592 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -80.4 | 0.2 | 179.8 | -52.5 | -68.1 | 0 | 0 | 0 | 113.9 | N242 Q245 V246 A462 V463 G466 L587 H589 P590 H596 | N242-F592 HydrophobicContact CB-CE1 4.44Å; N242-F592 HydrophobicContact CB-CZ 4.38Å; Q245-F592 HydrophobicContact CB-CE2 4.18Å; Q245-F592 HydrophobicContact CB-CZ 4.09Å; Q245-F592 HydrophobicContact CG-CE2 3.7Å; Q245-F592 HydrophobicContact CG-CZ 4.13Å; V246-F592 HydrophobicContact CG2-CD1 4.39Å; V246-F592 HydrophobicContact CG2-CE1 3.44Å; V246-F592 VanDerWaalsContact CG2-CE1 3.44Å; V246-F592 HydrophobicContact CG2-CZ 3.63Å; A462-F592 HydrophobicContact CB-CD1 4.39Å; A462-F592 HydrophobicContact CB-CE1 4.38Å; V463-F592 HydrophobicContact CB-CD1 4.43Å; V463-F592 HydrophobicContact CG2-CD1 3.67Å; V463-F592 HydrophobicContact CG2-CE1 3.78Å; G466-F592 WeakPolarHBondContact CA-O 3.12Å; L587-F592 HydrophobicContact CB-CB 3.84Å; L587-F592 HydrophobicContact CB-CD2 3.81Å; L587-F592 HydrophobicContact CB-CG 3.85Å; L587-F592 HydrophobicContact CD2-CD1 4.43Å; L587-F592 HydrophobicContact CD2-CD2 4.1Å; L587-F592 HydrophobicContact CD2-CE1 4.42Å; L587-F592 HydrophobicContact CD2-CE2 4.07Å; L587-F592 HydrophobicContact CD2-CG 4.3Å; L587-F592 HydrophobicContact CD2-CZ 4.24Å; L587-F592 HydrophobicContact CG-CG 4.47Å; H589-F592 HydrophobicContact CB-CD2 3.93Å; H589-F592 HydrophobicContact CB-CE2 4Å; H589-F592 PolarHBondContact O-N 2.63Å; H589-F592 VanDerWaalsContact O-N 3.09Å; P590-F592 PolarHBondContact O-N 3Å; F592-H596 PolarHBondContact O-NE2 3.36Å |
| 593 | N | 97.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -126 | 9.8 | -173.7 | -64.7 | -79.4 | 0 | 0 | 0 | 112.9 | L587 H589 P590 V591 | L587-N593 PolarHBondContact O-ND2 2.9Å; H589-N593 PolarHBondContact O-ND2 3.3Å; H589-N593 VanDerWaalsContact O-ND2 3.09Å; P590-N593 CarbonylContact O-C 3.56Å; P590-N593 PolarHBondContact O-N 3.12Å; V591-N593 PolarHBondContact O-N 2.9Å |
| 594 | R | 96.4 | Very high | 97.7 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 46% | 0.464 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -30.2 | -174.3 | -76.2 | 176.4 | 70.9 | -164.2 | 0.9 | 115.7 | P590 I1066 | P590-R594 WeakPolarHBondContact O-CG 3.41Å; P590-R594 PolarHBondContact O-N 3.04Å; R594-I1066 VanDerWaalsContact NH1-CD1 3.27Å |
| 595 | Y | 97.7 | Very high | 97.8 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | trans | -113.7 | 47.5 | -166.7 | -50 | -72.1 | 0 | 0 | 0 | 113 | V463 V591 E600 Y604 | V463-Y595 HydrophobicContact CG1-CD2 3.73Å; V463-Y595 HydrophobicContact CG1-CG 4.32Å; V591-Y595 HydrophobicContact CG2-CD2 4.42Å; V591-Y595 HydrophobicContact CG2-CE2 4.01Å; V591-Y595 WeakPolarHBondContact O-CD2 3.31Å; Y595-E600 HydrophobicContact CD1-CB 4.16Å; Y595-Y604 HydrophobicContact CD1-CG 4.16Å; Y595-Y604 AromaticContact CD2-CD1 3.92Å; Y595-Y604 HydrophobicContact CD2-CD1 3.92Å; Y595-Y604 HydrophobicContact CD2-CD2 4.15Å; Y595-Y604 HydrophobicContact CD2-CE1 4.33Å; Y595-Y604 AromaticContact CD2-CG 3.82Å; Y595-Y604 HydrophobicContact CD2-CG 3.82Å; Y595-Y604 HydrophobicContact CE1-CD2 4.04Å; Y595-Y604 HydrophobicContact CE1-CG 4.15Å; Y595-Y604 HydrophobicContact CE2-CD1 4.15Å; Y595-Y604 AromaticContact CE2-CD2 3.6Å; Y595-Y604 HydrophobicContact CE2-CD2 3.6Å; Y595-Y604 HydrophobicContact CE2-CE1 4.33Å; Y595-Y604 AromaticContact CE2-CE2 3.83Å; Y595-Y604 HydrophobicContact CE2-CE2 3.83Å; Y595-Y604 AromaticContact CE2-CG 3.78Å; Y595-Y604 HydrophobicContact CE2-CG 3.78Å; Y595-Y604 HydrophobicContact CG-CD1 4.31Å; Y595-Y604 HydrophobicContact CG-CG 4.01Å; Y595-Y604 AromaticContact CZ-CD2 3.54Å; Y595-Y604 AromaticContact CZ-CG 3.95Å | ||
| 596 | H | 98.2 | Very high | 97.9 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | trans | -87.7 | -24.2 | -174.6 | -58.5 | 165.1 | 0 | 0 | 0 | 113.8 | V463 Y464 F592 | V463-H596 PolarHBondContact O-CD2 2.74Å; Y464-H596 WeakPolarHBondContact CE2-O 3.35Å; Y464-H596 PolarHBondContact O-CD2 3.16Å; Y464-H596 VanDerWaalsContact O-CD2 3.29Å; F592-H596 PolarHBondContact O-NE2 3.36Å | ||
| 597 | S | 98.2 | Very high | 97.9 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -76.8 | 146.9 | 170.7 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | T599 E600 M601 | S597-T599 PolarHBondContact O-N 3.06Å; S597-E600 WeakPolarHBondContact CB-OE2 3.26Å; S597-E600 PolarHBondContact N-OE2 3.18Å; S597-E600 PolarHBondContact O-N 2.81Å; S597-E600 VanDerWaalsContact O-N 3.11Å; S597-E600 WeakPolarHBondContact OG-CB 3.46Å; S597-E600 VanDerWaalsContact OG-CD 3.25Å; S597-E600 WeakPolarHBondContact OG-CG 3.42Å; S597-E600 PolarHBondContact OG-N 3.09Å; S597-E600 PolarHBondContact OG-OE2 3.06Å; S597-M601 PolarHBondContact O-N 3.42Å |
| 598 | E | 98.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.9 | -39.3 | 177.7 | -167.5 | 174.6 | 144.8 | 0 | 0 | 111.8 | V210 E600 M601 M602 | V210-E598 HydrophobicContact CB-CG 3.8Å; V210-E598 HydrophobicContact CG1-CG 4.37Å; V210-E598 HydrophobicContact CG2-CG 3.59Å; E598-E600 PolarHBondContact O-N 3.37Å; E598-M601 PolarHBondContact O-N 3.31Å; E598-M602 HydrophobicContact CG-CE 4.38Å; E598-M602 WeakPolarHBondContact O-CB 3.31Å; E598-M602 WeakPolarHBondContact O-CG 3.39Å; E598-M602 PolarHBondContact O-N 2.92Å |
| 599 | T | 98.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 54 Ų | 54 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | S597 R603 | S597-T599 PolarHBondContact O-N 3.06Å; T599-R603 VanDerWaalsContact O-CG 3.3Å; T599-R603 WeakPolarHBondContact O-CG 3.26Å; T599-R603 PolarHBondContact O-N 2.95Å; T599-R603 VanDerWaalsContact O-N 3.1Å |
| 600 | E | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 178.3 | -74.6 | 166.2 | 143.7 | 0 | 0 | 111.6 | Y595 S597 E598 R603 Y604 | Y595-E600 HydrophobicContact CD1-CB 4.16Å; S597-E600 WeakPolarHBondContact CB-OE2 3.26Å; S597-E600 PolarHBondContact N-OE2 3.18Å; S597-E600 PolarHBondContact O-N 2.81Å; S597-E600 VanDerWaalsContact O-N 3.11Å; S597-E600 WeakPolarHBondContact OG-CB 3.46Å; S597-E600 VanDerWaalsContact OG-CD 3.25Å; S597-E600 WeakPolarHBondContact OG-CG 3.42Å; S597-E600 PolarHBondContact OG-N 3.09Å; S597-E600 PolarHBondContact OG-OE2 3.06Å; E598-E600 PolarHBondContact O-N 3.37Å; E600-R603 PolarHBondContact O-N 3.5Å; E600-Y604 WeakPolarHBondContact O-CB 3.39Å; E600-Y604 PolarHBondContact O-N 3.17Å |
| 601 | M | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 175.5 | -179.4 | 44.9 | 78 | 0 | 0 | 111.8 | V210 L460 V463 Y464 S597 E598 R603 Y604 M605 | V210-M601 HydrophobicContact CG1-CG 3.96Å; L460-M601 HydrophobicContact CD2-SD 4.22Å; V463-M601 HydrophobicContact CB-CE 3.91Å; V463-M601 HydrophobicContact CG1-CE 3.56Å; Y464-M601 HydrophobicContact CD2-CB 3.77Å; Y464-M601 HydrophobicContact CD2-CE 4.05Å; Y464-M601 HydrophobicContact CD2-CG 3.78Å; Y464-M601 HydrophobicContact CE2-CB 4.01Å; Y464-M601 HydrophobicContact CE2-CG 4.3Å; Y464-M601 HydrophobicContact CG-CE 4.32Å; S597-M601 PolarHBondContact O-N 3.42Å; E598-M601 PolarHBondContact O-N 3.31Å; M601-R603 VanDerWaalsContact C-N 3.33Å; M601-R603 PolarHBondContact O-N 3.23Å; M601-Y604 PolarHBondContact O-N 3.4Å; M601-Y604 HydrophobicContact SD-CD1 4.49Å; M601-M605 HydrophobicContact CG-CE 3.88Å; M601-M605 PolarHBondContact O-N 3.28Å; M601-M605 HydrophobicContact SD-CE 4.21Å; M601-M605 HydrophobicContact SD-CG 4.04Å; M601-M605 HydrophobicContact SD-SD 4.39Å |
| 602 | M | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 173 | -74.4 | -171.9 | -66.8 | 0 | 0 | 111.8 | V210 E598 Y604 H606 | V210-M602 HydrophobicContact CG2-CG 3.34Å; V210-M602 HydrophobicContact CG2-SD 4.32Å; E598-M602 HydrophobicContact CG-CE 4.38Å; E598-M602 WeakPolarHBondContact O-CB 3.31Å; E598-M602 WeakPolarHBondContact O-CG 3.39Å; E598-M602 PolarHBondContact O-N 2.92Å; M602-Y604 VanDerWaalsContact C-N 3.34Å; M602-Y604 PolarHBondContact O-N 3.29Å; M602-H606 WeakPolarHBondContact O-CB 3.41Å; M602-H606 PolarHBondContact O-N 3.26Å |
| 603 | R | 98.4 | Very high | 98 | Very high | 174 Ų | 174 | 60.3 Ų | 60.3 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | 177.6 | -74.9 | 171.1 | 179.1 | 163.4 | 0.8 | 112.1 | T599 E600 M601 S607 | T599-R603 VanDerWaalsContact O-CG 3.3Å; T599-R603 WeakPolarHBondContact O-CG 3.26Å; T599-R603 PolarHBondContact O-N 2.95Å; T599-R603 VanDerWaalsContact O-N 3.1Å; E600-R603 PolarHBondContact O-N 3.5Å; M601-R603 VanDerWaalsContact C-N 3.33Å; M601-R603 PolarHBondContact O-N 3.23Å; R603-S607 VanDerWaalsContact O-CB 3.26Å; R603-S607 WeakPolarHBondContact O-CB 3.11Å; R603-S607 PolarHBondContact O-N 2.63Å; R603-S607 PolarHBondContact O-OG 2.81Å |
| 604 | Y | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -53.3 | 177.5 | -176.7 | -127.8 | 0 | 0 | 0 | 111.1 | E238 N242 L460 V463 V591 Y595 E600 M601 M602 H606 S607 L608 | E238-Y604 WeakPolarHBondContact OE1-CE2 3.15Å; E238-Y604 PolarHBondContact OE1-OH 3.41Å; N242-Y604 PolarHBondContact ND2-OH 3.06Å; L460-Y604 HydrophobicContact CD2-CD1 3.99Å; L460-Y604 HydrophobicContact CD2-CE1 3.89Å; V463-Y604 HydrophobicContact CG1-CD1 4.21Å; V463-Y604 HydrophobicContact CG1-CE1 4.2Å; V591-Y604 HydrophobicContact CG2-CE1 4.31Å; Y595-Y604 HydrophobicContact CD1-CG 4.16Å; Y595-Y604 AromaticContact CD2-CD1 3.92Å; Y595-Y604 HydrophobicContact CD2-CD1 3.92Å; Y595-Y604 HydrophobicContact CD2-CD2 4.15Å; Y595-Y604 HydrophobicContact CD2-CE1 4.33Å; Y595-Y604 AromaticContact CD2-CG 3.82Å; Y595-Y604 HydrophobicContact CD2-CG 3.82Å; Y595-Y604 HydrophobicContact CE1-CD2 4.04Å; Y595-Y604 HydrophobicContact CE1-CG 4.15Å; Y595-Y604 HydrophobicContact CE2-CD1 4.15Å; Y595-Y604 AromaticContact CE2-CD2 3.6Å; Y595-Y604 HydrophobicContact CE2-CD2 3.6Å; Y595-Y604 HydrophobicContact CE2-CE1 4.33Å; Y595-Y604 AromaticContact CE2-CE2 3.83Å; Y595-Y604 HydrophobicContact CE2-CE2 3.83Å; Y595-Y604 AromaticContact CE2-CG 3.78Å; Y595-Y604 HydrophobicContact CE2-CG 3.78Å; Y595-Y604 HydrophobicContact CG-CD1 4.31Å; Y595-Y604 HydrophobicContact CG-CG 4.01Å; Y595-Y604 AromaticContact CZ-CD2 3.54Å; Y595-Y604 AromaticContact CZ-CG 3.95Å; E600-Y604 WeakPolarHBondContact O-CB 3.39Å; E600-Y604 PolarHBondContact O-N 3.17Å; M601-Y604 PolarHBondContact O-N 3.4Å; M601-Y604 HydrophobicContact SD-CD1 4.49Å; M602-Y604 VanDerWaalsContact C-N 3.34Å; M602-Y604 PolarHBondContact O-N 3.29Å; Y604-H606 VanDerWaalsContact C-N 3.33Å; Y604-H606 PolarHBondContact O-N 2.84Å; Y604-S607 WeakPolarHBondContact O-CB 3.35Å; Y604-S607 PolarHBondContact O-N 3.28Å; Y604-S607 PolarHBondContact O-OG 3Å; Y604-L608 HydrophobicContact CD1-CD1 4.47Å; Y604-L608 HydrophobicContact CD2-CG 4.39Å; Y604-L608 HydrophobicContact CE1-CD1 3.9Å; Y604-L608 HydrophobicContact CE2-CD1 4.08Å; Y604-L608 HydrophobicContact CE2-CD2 3.92Å; Y604-L608 HydrophobicContact CE2-CG 4.02Å; Y604-L608 WeakPolarHBondContact O-CG 3.4Å; Y604-L608 PolarHBondContact O-N 3.3Å |
| 605 | M | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.8 | -47.2 | 176.6 | -74.1 | -175.1 | -68.9 | 0 | 0 | 111.9 | V210 I211 N214 M215 W221 L460 M601 S607 L608 E609 | V210-M605 HydrophobicContact CG2-CE 3.88Å; V210-M605 WeakPolarHBondContact O-CE 3.47Å; I211-M605 HydrophobicContact CG1-SD 4.39Å; N214-M605 HydrophobicContact CB-CE 3.72Å; N214-M605 HydrophobicContact CB-SD 4.18Å; M215-M605 HydrophobicContact CB-SD 4.26Å; W221-M605 HydrophobicContact CZ2-CB 4.48Å; W221-M605 WeakPolarHBondContact CZ2-O 2.98Å; L460-M605 HydrophobicContact CD1-CG 3.61Å; L460-M605 HydrophobicContact CD1-SD 3.66Å; L460-M605 HydrophobicContact CD2-CG 4.21Å; M601-M605 HydrophobicContact CG-CE 3.88Å; M601-M605 PolarHBondContact O-N 3.28Å; M601-M605 HydrophobicContact SD-CE 4.21Å; M601-M605 HydrophobicContact SD-CG 4.04Å; M601-M605 HydrophobicContact SD-SD 4.39Å; M605-S607 VanDerWaalsContact C-N 3.3Å; M605-S607 PolarHBondContact O-N 2.68Å; M605-L608 PolarHBondContact O-N 2.79Å; M605-L608 VanDerWaalsContact O-N 3.16Å; M605-E609 WeakPolarHBondContact O-CB 3.46Å; M605-E609 PolarHBondContact O-N 2.9Å |
| 606 | H | 98.2 | Very high | 98 | Very high | 97 Ų | 97 | 54.6 Ų | 54.6 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 177.3 | -177.1 | 59 | 0 | 0 | 0 | 112.5 | M602 Y604 L608 E609 R610 | M602-H606 WeakPolarHBondContact O-CB 3.41Å; M602-H606 PolarHBondContact O-N 3.26Å; Y604-H606 VanDerWaalsContact C-N 3.33Å; Y604-H606 PolarHBondContact O-N 2.84Å; H606-L608 VanDerWaalsContact C-N 3.28Å; H606-L608 PolarHBondContact O-N 3.25Å; H606-E609 IonicContact ND1-OE2 3.65Å; H606-R610 VanDerWaalsContact NE2-CD 3.3Å; H606-R610 WeakPolarHBondContact NE2-CD 3.43Å; H606-R610 WeakPolarHBondContact O-CB 3.48Å; H606-R610 VanDerWaalsContact O-CG 3.31Å; H606-R610 WeakPolarHBondContact O-CG 3.5Å; H606-R610 PolarHBondContact O-N 2.85Å; H606-R610 VanDerWaalsContact O-N 3.1Å |
| 607 | S | 97.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.9 | -28.6 | 176.5 | 77.9 | 0 | 0 | 0 | 0 | 113.2 | R603 Y604 M605 K611 | R603-S607 VanDerWaalsContact O-CB 3.26Å; R603-S607 WeakPolarHBondContact O-CB 3.11Å; R603-S607 PolarHBondContact O-N 2.63Å; R603-S607 PolarHBondContact O-OG 2.81Å; Y604-S607 WeakPolarHBondContact O-CB 3.35Å; Y604-S607 PolarHBondContact O-N 3.28Å; Y604-S607 PolarHBondContact O-OG 3Å; M605-S607 VanDerWaalsContact C-N 3.3Å; M605-S607 PolarHBondContact O-N 2.68Å; S607-K611 WeakPolarHBondContact O-CE 3.43Å; S607-K611 WeakPolarHBondContact O-CG 3.11Å |
| 608 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -80.1 | -47.9 | 174 | -61.9 | -174.5 | 0 | 0 | 0 | 111.1 | W221 G235 E238 A239 Y604 M605 H606 R610 K611 | W221-L608 HydrophobicContact CH2-CB 3.6Å; W221-L608 HydrophobicContact CH2-CD1 3.9Å; W221-L608 HydrophobicContact CH2-CG 4.42Å; W221-L608 HydrophobicContact CZ2-CB 3.71Å; W221-L608 HydrophobicContact CZ2-CD1 4.4Å; G235-L608 VanDerWaalsContact CA-O 3.3Å; G235-L608 WeakPolarHBondContact CA-O 3.3Å; E238-L608 HydrophobicContact CB-CD2 4.05Å; E238-L608 HydrophobicContact CG-CD2 4.16Å; E238-L608 VanDerWaalsContact OE2-CD2 3.3Å; E238-L608 WeakPolarHBondContact OE2-CD2 3.41Å; A239-L608 HydrophobicContact CB-CD1 4.22Å; Y604-L608 HydrophobicContact CD1-CD1 4.47Å; Y604-L608 HydrophobicContact CD2-CG 4.39Å; Y604-L608 HydrophobicContact CE1-CD1 3.9Å; Y604-L608 HydrophobicContact CE2-CD1 4.08Å; Y604-L608 HydrophobicContact CE2-CD2 3.92Å; Y604-L608 HydrophobicContact CE2-CG 4.02Å; Y604-L608 WeakPolarHBondContact O-CG 3.4Å; Y604-L608 PolarHBondContact O-N 3.3Å; M605-L608 PolarHBondContact O-N 2.79Å; M605-L608 VanDerWaalsContact O-N 3.16Å; H606-L608 VanDerWaalsContact C-N 3.28Å; H606-L608 PolarHBondContact O-N 3.25Å; L608-R610 PolarHBondContact O-N 2.94Å; L608-K611 WeakPolarHBondContact O-CB 3.43Å; L608-K611 PolarHBondContact O-N 2.75Å |
| 609 | E | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51 | -43.1 | 177 | -176.9 | -172.2 | 179.9 | 0 | 0 | 111.9 | N218 W221 M605 H606 K611 D612 | N218-E609 VanDerWaalsContact ND2-CD 3.26Å; N218-E609 PolarHBondContact ND2-OE1 3.48Å; N218-E609 PolarHBondContact ND2-OE2 2.67Å; N218-E609 PolarHBondContact OD1-OE1 3.27Å; W221-E609 HydrophobicContact CZ2-CB 4.48Å; M605-E609 WeakPolarHBondContact O-CB 3.46Å; M605-E609 PolarHBondContact O-N 2.9Å; H606-E609 IonicContact ND1-OE2 3.65Å; E609-K611 PolarHBondContact O-N 3.4Å; E609-K611 VanDerWaalsContact O-N 3.09Å; E609-D612 PolarHBondContact O-N 3.46Å |
| 610 | R | 96.2 | Very high | 97.7 | Very high | 165 Ų | 165 | 45 Ų | 45 | 62% | 0.623 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.1 | 177.8 | -78.7 | -179.2 | 56.2 | -174.7 | -3.1 | 115.3 | H606 L608 | H606-R610 VanDerWaalsContact NE2-CD 3.3Å; H606-R610 WeakPolarHBondContact NE2-CD 3.43Å; H606-R610 WeakPolarHBondContact O-CB 3.48Å; H606-R610 VanDerWaalsContact O-CG 3.31Å; H606-R610 WeakPolarHBondContact O-CG 3.5Å; H606-R610 PolarHBondContact O-N 2.85Å; H606-R610 VanDerWaalsContact O-N 3.1Å; L608-R610 PolarHBondContact O-N 2.94Å |
| 611 | K | 97.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.8 | 177.8 | -51.5 | -179.6 | -173.8 | 176.6 | 0 | 112.7 | V232 S233 Q234 E238 S607 L608 E609 Y1043 T1046 | V232-K611 CarbonylContact C-O 3.59Å; V232-K611 VanDerWaalsContact C-O 3.28Å; S233-K611 PolarHBondContact N-O 3.49Å; Q234-K611 HydrophobicContact CB-CB 4.1Å; Q234-K611 HydrophobicContact CB-CD 4.03Å; E238-K611 IonicContact OE2-NZ 3.82Å; E238-K611 PolarHBondContact OE2-NZ 2.9Å; S607-K611 WeakPolarHBondContact O-CE 3.43Å; S607-K611 WeakPolarHBondContact O-CG 3.11Å; L608-K611 WeakPolarHBondContact O-CB 3.43Å; L608-K611 PolarHBondContact O-N 2.75Å; E609-K611 PolarHBondContact O-N 3.4Å; E609-K611 VanDerWaalsContact O-N 3.09Å; K611-Y1043 PolarHBondContact O-OH 3.43Å; K611-T1046 HydrophobicContact CB-CG2 3.77Å; K611-T1046 HydrophobicContact CD-CG2 4.44Å; K611-T1046 HydrophobicContact CG-CG2 3.68Å |
| 612 | D | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -117.1 | 128.1 | -175.6 | -75.8 | 23.5 | 0 | 0 | 0 | 110.1 | V232 S233 Q234 G235 R236 E609 Y1043 | V232-D612 VanDerWaalsContact O-CA 3.29Å; V232-D612 WeakPolarHBondContact O-CA 3.31Å; S233-D612 VanDerWaalsContact CA-OD1 3.25Å; S233-D612 WeakPolarHBondContact CA-OD1 3.27Å; Q234-D612 PolarHBondContact N-OD1 3.06Å; G235-D612 WeakPolarHBondContact CA-OD1 3.25Å; G235-D612 PolarHBondContact N-OD1 2.83Å; R236-D612 WeakPolarHBondContact CB-OD2 3.43Å; R236-D612 WeakPolarHBondContact CD-OD2 3.47Å; R236-D612 WeakPolarHBondContact CG-OD2 3.29Å; R236-D612 IonicContact CZ-OD2 3.45Å; R236-D612 PolarHBondContact N-OD1 3.36Å; R236-D612 PolarHBondContact N-OD2 2.76Å; R236-D612 IonicContact NE-OD2 2.78Å; R236-D612 IonicContact NH1-OD1 2.8Å; R236-D612 IonicContact NH1-OD2 3.45Å; R236-D612 PolarHBondContact NH1-OD2 3.01Å; E609-D612 PolarHBondContact O-N 3.46Å; D612-Y1043 PolarHBondContact N-OH 3.49Å |
| 613 | L | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -84.6 | 127.1 | 168.2 | -165.1 | 156 | 0 | 0 | 0 | 108.8 | V232 A618 I620 H956 Y1043 | V232-L613 HydrophobicContact CB-CB 3.93Å; V232-L613 HydrophobicContact CG2-CB 4.26Å; V232-L613 PolarHBondContact O-N 3.49Å; L613-A618 HydrophobicContact CD2-CB 4.42Å; L613-I620 HydrophobicContact CD2-CD1 4.06Å; L613-I620 HydrophobicContact CD2-CG1 3.89Å; L613-H956 HydrophobicContact CD2-CB 4.07Å; L613-Y1043 HydrophobicContact CB-CD2 4.31Å; L613-Y1043 HydrophobicContact CB-CE1 4.47Å; L613-Y1043 HydrophobicContact CB-CE2 3.91Å; L613-Y1043 HydrophobicContact CD1-CD1 4.19Å; L613-Y1043 HydrophobicContact CD1-CD2 4.33Å; L613-Y1043 HydrophobicContact CD1-CG 4.05Å; L613-Y1043 HydrophobicContact CG-CD2 4.4Å; L613-Y1043 HydrophobicContact CG-CE2 4.48Å; L613-Y1043 PolarHBondContact N-OH 3.05Å | ||
| 614 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -136.1 | 173.4 | -175 | 0 | 0 | 0 | 0 | 0 | 110.9 | T223 A224 N616 Q617 A618 | T223-A614 WeakPolarHBondContact OG1-CB 3.25Å; A224-A614 HydrophobicContact CB-CB 4.15Å; A614-N616 WeakPolarHBondContact CB-OD1 3.33Å; A614-N616 PolarHBondContact O-N 3.03Å; A614-Q617 PolarHBondContact O-N 3.12Å; A614-A618 PolarHBondContact O-N 3.04Å | ||
| 615 | L | 98.2 | Very high | 97.2 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 18% | 0.183 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.2 | -174.3 | -64 | 179.5 | 0 | 0 | 0 | 114 | T223 Q617 I620 M627 | T223-L615 HydrophobicContact CG2-CB 4.24Å; T223-L615 PolarHBondContact OG1-N 3.34Å; L615-Q617 PolarHBondContact O-N 3.04Å; L615-I620 HydrophobicContact CD2-CB 3.91Å; L615-I620 HydrophobicContact CD2-CD1 4.04Å; L615-I620 HydrophobicContact CD2-CG1 3.87Å; L615-I620 HydrophobicContact CG-CD1 4.43Å; L615-M627 HydrophobicContact CD1-CB 4.41Å; L615-M627 HydrophobicContact CD1-CE 4.22Å; L615-M627 HydrophobicContact CD2-CB 4.2Å; L615-M627 HydrophobicContact CD2-CE 4.42Å; L615-M627 HydrophobicContact CG-CE 4.31Å |
| 616 | N | 96.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 30.3 Ų | 30.3 | 43% | 0.428 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -0.9 | 170.7 | 67.5 | -26.1 | 0 | 0 | 0 | 113.4 | A614 | A614-N616 WeakPolarHBondContact CB-OD1 3.33Å; A614-N616 PolarHBondContact O-N 3.03Å |
| 617 | Q | 94.9 | Very high | 97.2 | Very high | 90 Ų | 90 | 25.8 Ų | 25.8 | 42% | 0.421 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -47.2 | 179.2 | -67 | 174.5 | 4.8 | 0 | 0 | 113 | A614 L615 | A614-Q617 PolarHBondContact O-N 3.12Å; L615-Q617 PolarHBondContact O-N 3.04Å |
| 618 | A | 96.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 6% | 0.058 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -158.4 | 161.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L613 A614 I620 G954 F955 E980 R983 | L613-A618 HydrophobicContact CD2-CB 4.42Å; A614-A618 PolarHBondContact O-N 3.04Å; A618-I620 PolarHBondContact O-N 3.15Å; A618-G954 VanDerWaalsContact CB-O 3.3Å; A618-G954 WeakPolarHBondContact CB-O 3.32Å; A618-F955 HydrophobicContact CB-CD1 4.25Å; A618-F955 HydrophobicContact CB-CE1 4.39Å; A618-E980 WeakPolarHBondContact CA-OE1 3.23Å; A618-R983 VanDerWaalsContact CB-NH2 3.34Å |
| 619 | M | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | trans | -54.5 | 135.4 | 168.4 | 176.1 | 178 | 63.9 | 0 | 0 | 110.6 | P621 F955 P972 E976 E980 L981 F984 | M619-P621 HydrophobicContact CE-CB 4.12Å; M619-P621 HydrophobicContact CE-CG 4.24Å; M619-P621 HydrophobicContact CG-CB 4.12Å; M619-P621 HydrophobicContact CG-CG 4.5Å; M619-P621 WeakPolarHBondContact O-CD 3.4Å; M619-P621 HydrophobicContact SD-CB 4.1Å; M619-F955 HydrophobicContact CB-CE1 4.33Å; M619-F955 HydrophobicContact CE-CE1 4.37Å; M619-P972 HydrophobicContact SD-CB 3.87Å; M619-E976 WeakPolarHBondContact CA-OE1 3.12Å; M619-E976 HydrophobicContact CB-CG 4.02Å; M619-E976 HydrophobicContact CG-CG 3.71Å; M619-E976 HydrophobicContact SD-CB 4.07Å; M619-E976 HydrophobicContact SD-CG 3.8Å; M619-E980 HydrophobicContact CB-CG 3.6Å; M619-E980 WeakPolarHBondContact CB-OE1 3.37Å; M619-E980 PolarHBondContact N-OE1 2.99Å; M619-L981 HydrophobicContact CE-CD2 4.43Å; M619-L981 HydrophobicContact SD-CD2 3.87Å; M619-F984 HydrophobicContact CE-CB 3.38Å; M619-F984 HydrophobicContact CE-CD1 4.17Å; M619-F984 HydrophobicContact CE-CD2 4Å; M619-F984 HydrophobicContact CE-CG 3.58Å | ||
| 620 | I | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -113.2 | 90.4 | 171.7 | -61.5 | 176.5 | 0 | 0 | 0 | 107.1 | L613 L615 A618 L622 M627 H956 | L613-I620 HydrophobicContact CD2-CD1 4.06Å; L613-I620 HydrophobicContact CD2-CG1 3.89Å; L615-I620 HydrophobicContact CD2-CB 3.91Å; L615-I620 HydrophobicContact CD2-CD1 4.04Å; L615-I620 HydrophobicContact CD2-CG1 3.87Å; L615-I620 HydrophobicContact CG-CD1 4.43Å; A618-I620 PolarHBondContact O-N 3.15Å; I620-L622 HydrophobicContact CG2-CD1 3.67Å; I620-L622 HydrophobicContact CG2-CG 3.74Å; I620-L622 PolarHBondContact O-N 3.4Å; I620-M627 HydrophobicContact CB-CB 4.4Å; I620-M627 HydrophobicContact CB-CE 4.38Å; I620-M627 HydrophobicContact CB-CG 4.19Å; I620-M627 HydrophobicContact CD1-CE 4.4Å; I620-M627 HydrophobicContact CG2-CE 4.31Å; I620-M627 HydrophobicContact CG2-CG 4.05Å; I620-M627 WeakPolarHBondContact O-CB 3.38Å; I620-M627 WeakPolarHBondContact O-CG 3.34Å; I620-H956 HydrophobicContact CB-CB 4.28Å; I620-H956 HydrophobicContact CD1-CB 4.5Å; I620-H956 HydrophobicContact CG1-CB 3.87Å; I620-H956 HydrophobicContact CG2-CB 3.9Å | ||
| 621 | P | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -84.5 | 50.1 | -167.4 | 35 | -36.9 | 0 | 0 | 0 | 113 | M619 G623 P958 V970 E971 F984 | M619-P621 HydrophobicContact CE-CB 4.12Å; M619-P621 HydrophobicContact CE-CG 4.24Å; M619-P621 HydrophobicContact CG-CB 4.12Å; M619-P621 HydrophobicContact CG-CG 4.5Å; M619-P621 WeakPolarHBondContact O-CD 3.4Å; M619-P621 HydrophobicContact SD-CB 4.1Å; P621-G623 PolarHBondContact O-N 3.1Å; P621-P958 HydrophobicContact CG-CB 4.36Å; P621-P958 WeakPolarHBondContact O-CA 3.35Å; P621-P958 WeakPolarHBondContact O-CB 3.46Å; P621-V970 HydrophobicContact CB-CG1 3.89Å; P621-E971 CarbonylContact C-O 3.09Å; P621-E971 VanDerWaalsContact CA-O 3.28Å; P621-E971 WeakPolarHBondContact CA-O 3.35Å; P621-E971 PolarHBondContact O-N 3.15Å; P621-F984 HydrophobicContact CG-CD2 4.11Å; P621-F984 HydrophobicContact CG-CE2 3.67Å; P621-F984 HydrophobicContact CG-CZ 4.01Å | ||
| 622 | L | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -70.6 | 108.5 | -179.9 | -76.3 | 171 | 0 | 0 | 0 | 111 | Y225 Y228 I620 C625 M627 A957 | Y225-L622 HydrophobicContact CD1-CD1 4.44Å; Y228-L622 HydrophobicContact CD2-CD2 4.49Å; I620-L622 HydrophobicContact CG2-CD1 3.67Å; I620-L622 HydrophobicContact CG2-CG 3.74Å; I620-L622 PolarHBondContact O-N 3.4Å; L622-C625 HydrophobicContact CB-CB 3.71Å; L622-C625 VanDerWaalsContact O-CB 3.31Å; L622-C625 WeakPolarHBondContact O-CB 3.43Å; L622-C625 PolarHBondContact O-N 3.4Å; L622-M627 HydrophobicContact CB-CG 4.18Å; L622-M627 HydrophobicContact CD1-CG 4.5Å; L622-M627 HydrophobicContact CD1-SD 4.34Å; L622-A957 WeakPolarHBondContact CD2-O 3.27Å |
| 623 | G | 95.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 140.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P621 C625 T959 M969 | P621-G623 PolarHBondContact O-N 3.1Å; G623-C625 PolarHBondContact O-N 3.1Å; G623-T959 PolarHBondContact N-OG1 3.25Å; G623-T959 VanDerWaalsContact N-OG1 3.09Å; G623-T959 PolarHBondContact O-OG1 3.02Å; G623-M969 VanDerWaalsContact C-CE 3.47Å; G623-M969 WeakPolarHBondContact CA-O 3.4Å; G623-M969 PolarHBondContact N-O 3.45Å |
| 624 | S | 93.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 18.7 | -176.2 | -157.6 | 0 | 0 | 0 | 0 | 114.5 | K821 E927 E971 | S624-K821 WeakPolarHBondContact O-CD 3.27Å; S624-K821 WeakPolarHBondContact O-CE 3.32Å; S624-K821 PolarHBondContact O-NZ 3.38Å; S624-E927 PolarHBondContact N-OE2 2.68Å; S624-E971 PolarHBondContact N-OE2 2.91Å |
| 625 | C | 95.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -21.4 | -178.5 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | Y225 L622 G623 M627 K821 H827 E971 | Y225-C625 HydrophobicContact CD1-CB 4.07Å; Y225-C625 HydrophobicContact CE1-CB 4.17Å; L622-C625 HydrophobicContact CB-CB 3.71Å; L622-C625 VanDerWaalsContact O-CB 3.31Å; L622-C625 WeakPolarHBondContact O-CB 3.43Å; L622-C625 PolarHBondContact O-N 3.4Å; G623-C625 PolarHBondContact O-N 3.1Å; C625-M627 HydrophobicContact CB-CG 4.29Å; C625-M627 HydrophobicContact CB-SD 4.15Å; C625-K821 WeakPolarHBondContact O-CG 3.21Å; C625-H827 PolarHBondContact O-NE2 3.48Å; C625-E971 PolarHBondContact N-OE2 3.16Å |
| 626 | T | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | 47.8 | 66.2 | -179.3 | -41.9 | 0 | 0 | 0 | 0 | 112.5 | K628 N799 K821 H827 E971 T973 | T626-K628 HydrophobicContact CG2-CB 4.39Å; T626-K628 HydrophobicContact CG2-CD 4.42Å; T626-K628 HydrophobicContact CG2-CG 4.33Å; T626-K628 PolarHBondContact O-N 3.08Å; T626-N799 HydrophobicContact CG2-CB 3.91Å; T626-K821 WeakPolarHBondContact CG2-O 3.34Å; T626-H827 PolarHBondContact O-CE1 3.31Å; T626-H827 VanDerWaalsContact O-CE1 3.28Å; T626-E971 WeakPolarHBondContact CA-OE1 3.44Å; T626-E971 WeakPolarHBondContact CB-OE1 3.28Å; T626-E971 VanDerWaalsContact N-CD 3.29Å; T626-E971 PolarHBondContact N-OE1 3.22Å; T626-E971 PolarHBondContact N-OE2 2.84Å; T626-E971 PolarHBondContact OG1-OE1 2.83Å; T626-T973 HydrophobicContact CG2-CG2 3.94Å | ||
| 627 | M | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | trans | -74.7 | 58.3 | 179.2 | -59.4 | -62.1 | -55.5 | 0 | 0 | 112.2 | T223 Y225 L615 I620 L622 C625 H827 | T223-M627 WeakPolarHBondContact O-CE 3.45Å; Y225-M627 HydrophobicContact CD1-SD 4.48Å; Y225-M627 HydrophobicContact CG-SD 4.45Å; L615-M627 HydrophobicContact CD1-CB 4.41Å; L615-M627 HydrophobicContact CD1-CE 4.22Å; L615-M627 HydrophobicContact CD2-CB 4.2Å; L615-M627 HydrophobicContact CD2-CE 4.42Å; L615-M627 HydrophobicContact CG-CE 4.31Å; I620-M627 HydrophobicContact CB-CB 4.4Å; I620-M627 HydrophobicContact CB-CE 4.38Å; I620-M627 HydrophobicContact CB-CG 4.19Å; I620-M627 HydrophobicContact CD1-CE 4.4Å; I620-M627 HydrophobicContact CG2-CE 4.31Å; I620-M627 HydrophobicContact CG2-CG 4.05Å; I620-M627 WeakPolarHBondContact O-CB 3.38Å; I620-M627 WeakPolarHBondContact O-CG 3.34Å; L622-M627 HydrophobicContact CB-CG 4.18Å; L622-M627 HydrophobicContact CD1-CG 4.5Å; L622-M627 HydrophobicContact CD1-SD 4.34Å; C625-M627 HydrophobicContact CB-CG 4.29Å; C625-M627 HydrophobicContact CB-SD 4.15Å; M627-H827 HydrophobicContact CE-CB 4.26Å; M627-H827 PolarHBondContact SD-CD2 2.68Å; M627-H827 PolarHBondContact SD-NE2 3.38Å | ||
| 628 | K | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | trans | -81.9 | 176.2 | -178.3 | 66.5 | 170.4 | 63.9 | -162.7 | 0 | 112.2 | T626 N630 N799 K821 T822 C824 T973 E974 | T626-K628 HydrophobicContact CG2-CB 4.39Å; T626-K628 HydrophobicContact CG2-CD 4.42Å; T626-K628 HydrophobicContact CG2-CG 4.33Å; T626-K628 PolarHBondContact O-N 3.08Å; K628-N630 PolarHBondContact O-N 2.8Å; K628-N799 WeakPolarHBondContact CE-OD1 3.34Å; K628-N799 PolarHBondContact NZ-OD1 3.1Å; K628-K821 WeakPolarHBondContact CE-O 3.22Å; K628-T822 WeakPolarHBondContact CE-O 3.21Å; K628-T822 PolarHBondContact NZ-O 3.34Å; K628-C824 VanDerWaalsContact CD-SG 3.53Å; K628-T973 HydrophobicContact CB-CG2 4.24Å; K628-E974 WeakPolarHBondContact CE-OE1 3.31Å; K628-E974 IonicContact NZ-OE1 3.94Å; K628-E974 PolarHBondContact NZ-OE1 2.74Å; K628-E974 IonicContact NZ-OE2 3.73Å | ||
| 629 | L | 98.7 | Very high | 98 | Very high | 60 Ų | 60 | 15.3 Ų | 15.3 | 31% | 0.314 | 10% | 0.095 | S | C | . | . | trans | -56.4 | 131.7 | 174.1 | 178.9 | 64.4 | 0 | 0 | 0 | 112 | H131 A631 S975 | H131-L629 HydrophobicContact CB-CD2 4.5Å; L629-A631 HydrophobicContact CD2-CB 3.92Å; L629-A631 HydrophobicContact CG-CB 4.05Å; L629-S975 WeakPolarHBondContact CB-OG 3.43Å; L629-S975 PolarHBondContact N-OG 2.9Å; L629-S975 VanDerWaalsContact N-OG 3.08Å | ||
| 630 | N | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | -105.2 | 91.2 | 162.9 | -46.1 | 115 | 0 | 0 | 0 | 107.6 | Y222 K628 C824 P826 | Y222-N630 HydrophobicContact CE2-CB 3.95Å; K628-N630 PolarHBondContact O-N 2.8Å; N630-C824 PolarHBondContact ND2-O 2.89Å; N630-P826 HydrophobicContact CB-CB 4.41Å; N630-P826 WeakPolarHBondContact ND2-CA 3.4Å | ||
| 631 | A | 98.6 | Very high | 98 | Very high | 8 Ų | 8 | 19 Ų | 19 | 7% | 0.066 | 11% | 0.114 | C | C | . | . | trans | -71.8 | 147.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112 | F127 L629 A633 E634 M635 | F127-A631 HydrophobicContact CE2-CB 3.67Å; F127-A631 HydrophobicContact CZ-CB 3.82Å; L629-A631 HydrophobicContact CD2-CB 3.92Å; L629-A631 HydrophobicContact CG-CB 4.05Å; A631-A633 VanDerWaalsContact C-N 3.27Å; A631-A633 PolarHBondContact O-N 3.02Å; A631-E634 HydrophobicContact CB-CG 3.91Å; A631-E634 PolarHBondContact N-OE2 3.32Å; A631-E634 WeakPolarHBondContact O-CB 3.31Å; A631-E634 PolarHBondContact O-N 2.84Å; A631-M635 PolarHBondContact O-N 3.36Å | ||
| 632 | A | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 20.5 Ų | 20.5 | 58% | 0.579 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -57 | -41.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E634 M635 I636 | A632-E634 VanDerWaalsContact C-N 3.25Å; A632-E634 PolarHBondContact O-N 3.2Å; A632-M635 PolarHBondContact O-N 3.25Å; A632-I636 VanDerWaalsContact O-CG1 3.26Å; A632-I636 WeakPolarHBondContact O-CG1 3.32Å; A632-I636 PolarHBondContact O-N 3.26Å |
| 633 | A | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -33.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E177 L181 A631 P637 M881 M885 | E177-A633 HydrophobicContact CB-CB 3.92Å; E177-A633 HydrophobicContact CG-CB 3.97Å; L181-A633 HydrophobicContact CD1-CB 4.35Å; L181-A633 WeakPolarHBondContact CD2-O 3.27Å; A631-A633 VanDerWaalsContact C-N 3.27Å; A631-A633 PolarHBondContact O-N 3.02Å; A633-P637 WeakPolarHBondContact O-CD 3.06Å; A633-M881 HydrophobicContact CB-CE 4.22Å; A633-M881 WeakPolarHBondContact O-CE 3.42Å; A633-M885 HydrophobicContact CB-CE 4.35Å; A633-M885 HydrophobicContact CB-SD 4.12Å |
| 634 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -76.1 | -32.9 | 178 | -56.4 | 163.9 | 164.7 | 0 | 0 | 111.7 | F127 A631 A632 P637 C824 I878 M881 Y882 M885 | F127-E634 WeakPolarHBondContact CZ-OE1 3.29Å; A631-E634 HydrophobicContact CB-CG 3.91Å; A631-E634 PolarHBondContact N-OE2 3.32Å; A631-E634 WeakPolarHBondContact O-CB 3.31Å; A631-E634 PolarHBondContact O-N 2.84Å; A632-E634 VanDerWaalsContact C-N 3.25Å; A632-E634 PolarHBondContact O-N 3.2Å; E634-P637 WeakPolarHBondContact O-CD 3.49Å; E634-C824 VanDerWaalsContact OE2-CB 3.26Å; E634-C824 WeakPolarHBondContact OE2-CB 3.43Å; E634-I878 HydrophobicContact CB-CB 4.45Å; E634-I878 HydrophobicContact CB-CG2 3.92Å; E634-I878 VanDerWaalsContact O-CG1 3.26Å; E634-I878 WeakPolarHBondContact O-CG1 3.2Å; E634-M881 HydrophobicContact CB-CB 4.11Å; E634-M881 HydrophobicContact CG-CB 3.89Å; E634-Y882 WeakPolarHBondContact OE1-CA 3.5Å; E634-Y882 WeakPolarHBondContact OE1-CB 3.49Å; E634-M885 HydrophobicContact CG-CE 3.48Å; E634-M885 VanDerWaalsContact CG-CE 3.48Å |
| 635 | M | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -79.7 | -35.8 | -177.9 | -71.2 | -61.9 | -66.7 | 0 | 0 | 113.7 | Y222 A631 A632 P637 I638 P826 I878 | Y222-M635 HydrophobicContact CD1-CE 3.99Å; Y222-M635 HydrophobicContact CD2-CE 4.29Å; Y222-M635 HydrophobicContact CE1-CE 4Å; Y222-M635 HydrophobicContact CE2-CE 4.3Å; Y222-M635 HydrophobicContact CE2-CG 4.35Å; Y222-M635 HydrophobicContact CG-CE 4.15Å; A631-M635 PolarHBondContact O-N 3.36Å; A632-M635 PolarHBondContact O-N 3.25Å; M635-P637 VanDerWaalsContact C-CD 3.43Å; M635-P637 VanDerWaalsContact C-N 3.35Å; M635-I638 HydrophobicContact CE-CD1 3.53Å; M635-I638 WeakPolarHBondContact O-CG1 3.38Å; M635-I638 PolarHBondContact O-N 3.23Å; M635-I638 HydrophobicContact SD-CD1 4.35Å; M635-P826 HydrophobicContact CE-CG 3.83Å; M635-P826 HydrophobicContact SD-CB 4.41Å; M635-P826 HydrophobicContact SD-CG 3.75Å; M635-I878 HydrophobicContact SD-CD1 3.66Å; M635-I878 HydrophobicContact SD-CG1 4.14Å |
| 636 | I | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 24.1 Ų | 24.1 | 40% | 0.4 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -49 | -44.3 | -177.2 | -76.3 | 161.6 | 0 | 0 | 0 | 114 | L181 A632 I638 T639 W640 | L181-I636 HydrophobicContact CD1-CD1 4.47Å; L181-I636 HydrophobicContact CD2-CB 4.44Å; L181-I636 HydrophobicContact CD2-CG2 4.32Å; A632-I636 VanDerWaalsContact O-CG1 3.26Å; A632-I636 WeakPolarHBondContact O-CG1 3.32Å; A632-I636 PolarHBondContact O-N 3.26Å; I636-I638 VanDerWaalsContact C-N 3.29Å; I636-I638 PolarHBondContact O-N 3Å; I636-T639 PolarHBondContact O-OG1 2.68Å; I636-W640 HydrophobicContact CG2-CZ2 4.01Å |
| 637 | P | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -65.3 | -24 | -175.7 | -24.3 | 35.3 | 0 | 0 | 0 | 115.5 | L181 L184 A633 E634 M635 T639 W640 F643 P877 M881 | L181-P637 HydrophobicContact CD2-CG 3.93Å; L184-P637 HydrophobicContact CD2-CB 3.65Å; L184-P637 HydrophobicContact CD2-CG 3.49Å; L184-P637 VanDerWaalsContact CD2-CG 3.49Å; A633-P637 WeakPolarHBondContact O-CD 3.06Å; E634-P637 WeakPolarHBondContact O-CD 3.49Å; M635-P637 VanDerWaalsContact C-CD 3.43Å; M635-P637 VanDerWaalsContact C-N 3.35Å; P637-T639 PolarHBondContact O-N 3.31Å; P637-W640 HydrophobicContact CB-CD2 4.09Å; P637-W640 HydrophobicContact CB-CE3 3.94Å; P637-W640 HydrophobicContact CB-CH2 4.24Å; P637-W640 HydrophobicContact CB-CZ2 4.4Å; P637-W640 HydrophobicContact CB-CZ3 4Å; P637-W640 HydrophobicContact CG-CH2 4.04Å; P637-W640 HydrophobicContact CG-CZ2 4.16Å; P637-W640 HydrophobicContact CG-CZ3 4.28Å; P637-W640 WeakPolarHBondContact O-CB 3.47Å; P637-W640 PolarHBondContact O-N 3.49Å; P637-F643 HydrophobicContact CB-CD2 4.3Å; P637-F643 HydrophobicContact CB-CE2 4.3Å; P637-P877 HydrophobicContact CB-CB 3.94Å; P637-M881 HydrophobicContact CG-CG 4.26Å |
| 638 | I | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 24.1 Ų | 24.1 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -67.8 | -20.5 | -174.2 | 81.2 | -173.7 | 0 | 0 | 0 | 112.4 | L216 M635 I636 S874 I875 I878 | L216-I638 HydrophobicContact CD1-CD1 4.36Å; M635-I638 HydrophobicContact CE-CD1 3.53Å; M635-I638 WeakPolarHBondContact O-CG1 3.38Å; M635-I638 PolarHBondContact O-N 3.23Å; M635-I638 HydrophobicContact SD-CD1 4.35Å; I636-I638 VanDerWaalsContact C-N 3.29Å; I636-I638 PolarHBondContact O-N 3Å; I638-S874 WeakPolarHBondContact CG2-O 3.41Å; I638-I875 HydrophobicContact CG2-CG2 4.44Å; I638-I878 HydrophobicContact CG2-CD1 3.72Å; I638-I878 HydrophobicContact CG2-CG1 3.66Å |
| 639 | T | 98.4 | Very high | 98.4 | Very high | 35 Ų | 35 | 24.9 Ų | 24.9 | 22% | 0.215 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -101.2 | 3.2 | 177.1 | 64 | 0 | 0 | 0 | 0 | 112.6 | L212 L216 E217 I636 P637 | L212-T639 HydrophobicContact CD1-CG2 3.67Å; L216-T639 HydrophobicContact CD2-CG2 3.9Å; L216-T639 HydrophobicContact CG-CG2 4.31Å; E217-T639 HydrophobicContact CG-CG2 4.04Å; E217-T639 WeakPolarHBondContact OE1-CB 3.27Å; E217-T639 WeakPolarHBondContact OE1-CG2 3.4Å; E217-T639 PolarHBondContact OE1-OG1 3.36Å; I636-T639 PolarHBondContact O-OG1 2.68Å; P637-T639 PolarHBondContact O-N 3.31Å |
| 640 | W | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -67.1 | 130.1 | 170.6 | -69.9 | -3.1 | 0 | 0 | 0 | 110.2 | L181 L184 K185 A188 I636 P637 E642 F643 A644 | L181-W640 HydrophobicContact CD2-CH2 4.11Å; L181-W640 HydrophobicContact CD2-CZ2 3.97Å; L181-W640 WeakPolarHBondContact O-CH2 3.33Å; L184-W640 HydrophobicContact CB-CZ3 4.31Å; L184-W640 HydrophobicContact CD2-CZ3 4.3Å; L184-W640 HydrophobicContact CG-CZ3 4.02Å; K185-W640 VanDerWaalsContact CA-CZ3 3.47Å; K185-W640 HydrophobicContact CB-CH2 3.71Å; K185-W640 HydrophobicContact CB-CZ2 4.49Å; K185-W640 HydrophobicContact CB-CZ3 3.77Å; K185-W640 HydrophobicContact CD-CD2 4.04Å; K185-W640 HydrophobicContact CD-CE3 3.76Å; K185-W640 HydrophobicContact CD-CH2 4.07Å; K185-W640 HydrophobicContact CD-CZ2 4.31Å; K185-W640 HydrophobicContact CD-CZ3 3.78Å; K185-W640 HydrophobicContact CG-CH2 4.45Å; K185-W640 HydrophobicContact CG-CZ3 4.4Å; A188-W640 HydrophobicContact CB-CE3 4.05Å; A188-W640 HydrophobicContact CB-CZ3 4.33Å; I636-W640 HydrophobicContact CG2-CZ2 4.01Å; P637-W640 HydrophobicContact CB-CD2 4.09Å; P637-W640 HydrophobicContact CB-CE3 3.94Å; P637-W640 HydrophobicContact CB-CH2 4.24Å; P637-W640 HydrophobicContact CB-CZ2 4.4Å; P637-W640 HydrophobicContact CB-CZ3 4Å; P637-W640 HydrophobicContact CG-CH2 4.04Å; P637-W640 HydrophobicContact CG-CZ2 4.16Å; P637-W640 HydrophobicContact CG-CZ3 4.28Å; P637-W640 WeakPolarHBondContact O-CB 3.47Å; P637-W640 PolarHBondContact O-N 3.49Å; W640-E642 PolarHBondContact O-N 2.92Å; W640-E642 VanDerWaalsContact O-N 3.08Å; W640-F643 HydrophobicContact CE3-CD2 4.16Å; W640-F643 HydrophobicContact CE3-CE2 4.03Å; W640-F643 HydrophobicContact CZ3-CE2 4.37Å; W640-F643 PolarHBondContact O-N 3.11Å; W640-A644 WeakPolarHBondContact O-CB 3.48Å; W640-A644 PolarHBondContact O-N 2.98Å |
| 641 | P | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 28% | 0.279 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -53.9 | -33.3 | 179.7 | -30.8 | 37.5 | 0 | 0 | 0 | 114.2 | R193 F643 E645 | R193-P641 VanDerWaalsContact NE-CB 3.34Å; P641-F643 PolarHBondContact O-N 2.66Å; P641-E645 HydrophobicContact CB-CG 4.22Å; P641-E645 WeakPolarHBondContact O-CB 3.48Å; P641-E645 PolarHBondContact O-N 3.08Å |
| 642 | E | 98.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 25 Ų | 25 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.9 | -15.3 | 178.9 | -58.9 | 89.1 | 162.3 | 0 | 0 | 114.1 | K185 A188 N191 W640 L646 | K185-E642 IonicContact NZ-OE1 3.8Å; K185-E642 PolarHBondContact NZ-OE1 3.39Å; K185-E642 IonicContact NZ-OE2 3.01Å; K185-E642 PolarHBondContact NZ-OE2 3.45Å; A188-E642 HydrophobicContact CB-CB 4.01Å; A188-E642 WeakPolarHBondContact O-CB 3.24Å; N191-E642 HydrophobicContact CB-CB 4.49Å; N191-E642 PolarHBondContact ND2-O 2.87Å; W640-E642 PolarHBondContact O-N 2.92Å; W640-E642 VanDerWaalsContact O-N 3.08Å; E642-L646 WeakPolarHBondContact O-CD1 3.3Å |
| 643 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -108.1 | -48.4 | 168.8 | -69 | -48.9 | 0 | 0 | 0 | 111 | L184 A188 P637 W640 P641 E645 Y658 M661 P877 | L184-F643 HydrophobicContact CD1-CE2 4.09Å; L184-F643 HydrophobicContact CD1-CZ 3.85Å; L184-F643 HydrophobicContact CD2-CE2 4.32Å; L184-F643 HydrophobicContact CG-CE2 4.05Å; L184-F643 HydrophobicContact CG-CZ 4.29Å; A188-F643 HydrophobicContact CB-CD2 4.19Å; A188-F643 HydrophobicContact CB-CE1 4.15Å; A188-F643 HydrophobicContact CB-CE2 3.59Å; A188-F643 HydrophobicContact CB-CZ 3.57Å; P637-F643 HydrophobicContact CB-CD2 4.3Å; P637-F643 HydrophobicContact CB-CE2 4.3Å; W640-F643 HydrophobicContact CE3-CD2 4.16Å; W640-F643 HydrophobicContact CE3-CE2 4.03Å; W640-F643 HydrophobicContact CZ3-CE2 4.37Å; W640-F643 PolarHBondContact O-N 3.11Å; P641-F643 PolarHBondContact O-N 2.66Å; F643-E645 PolarHBondContact O-N 3.48Å; F643-Y658 VanDerWaalsContact C-OH 3.23Å; F643-Y658 VanDerWaalsContact CA-OH 3.23Å; F643-Y658 WeakPolarHBondContact CA-OH 3.08Å; F643-Y658 WeakPolarHBondContact CB-OH 3.4Å; F643-Y658 HydrophobicContact CD1-CD1 4.1Å; F643-Y658 HydrophobicContact CD1-CD2 4.25Å; F643-Y658 AromaticContact CD1-CE1 3.62Å; F643-Y658 HydrophobicContact CD1-CE1 3.62Å; F643-Y658 AromaticContact CD1-CE2 3.77Å; F643-Y658 HydrophobicContact CD1-CE2 3.77Å; F643-Y658 HydrophobicContact CD1-CG 4.4Å; F643-Y658 AromaticContact CD1-CZ 3.46Å; F643-Y658 VanDerWaalsContact CD1-CZ 3.46Å; F643-Y658 HydrophobicContact CE1-CD1 4.26Å; F643-Y658 HydrophobicContact CE1-CE1 4.18Å; F643-Y658 PolarHBondContact O-OH 3.02Å; F643-M661 HydrophobicContact CE1-CE 4.41Å; F643-P877 HydrophobicContact CD1-CG 4.49Å; F643-P877 HydrophobicContact CD2-CG 3.94Å; F643-P877 HydrophobicContact CE1-CG 4.46Å; F643-P877 HydrophobicContact CE2-CB 4.37Å; F643-P877 HydrophobicContact CE2-CG 3.9Å; F643-P877 HydrophobicContact CG-CG 4.24Å; F643-P877 HydrophobicContact CZ-CG 4.16Å |
| 644 | A | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.3 | -30 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P389 M390 G391 W640 | P389-A644 HydrophobicContact CB-CB 3.9Å; P389-A644 WeakPolarHBondContact CB-O 3.29Å; P389-A644 HydrophobicContact CG-CB 4.32Å; M390-A644 PolarHBondContact N-O 3.24Å; G391-A644 PolarHBondContact N-O 2.8Å; W640-A644 WeakPolarHBondContact O-CB 3.48Å; W640-A644 PolarHBondContact O-N 2.98Å |
| 645 | E | 97.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 26.1 Ų | 26.1 | 41% | 0.407 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -0.1 | -168 | -61.3 | 178.8 | -175.6 | 0 | 0 | 115.2 | R193 M390 P641 F643 | R193-E645 IonicContact CZ-OE2 2.66Å; R193-E645 IonicContact NE-OE2 3.32Å; R193-E645 PolarHBondContact NE-OE2 3.34Å; R193-E645 VanDerWaalsContact NH2-CD 3.32Å; R193-E645 IonicContact NH2-OE1 3.58Å; R193-E645 PolarHBondContact NH2-OE1 3.08Å; R193-E645 IonicContact NH2-OE2 2.72Å; R193-E645 PolarHBondContact NH2-OE2 3.41Å; M390-E645 WeakPolarHBondContact CE-O 3.36Å; P641-E645 HydrophobicContact CB-CG 4.22Å; P641-E645 WeakPolarHBondContact O-CB 3.48Å; P641-E645 PolarHBondContact O-N 3.08Å; F643-E645 PolarHBondContact O-N 3.48Å |
| 646 | L | 98.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | trans | -75.8 | 133.6 | 177.9 | -92.2 | 64.1 | 0 | 0 | 0 | 110.9 | N191 R193 M390 Y392 E642 A655 Y658 | N191-L646 HydrophobicContact CB-CD1 4.19Å; N191-L646 HydrophobicContact CB-CD2 3.7Å; R193-L646 HydrophobicContact CG-CD1 3.86Å; M390-L646 WeakPolarHBondContact CB-O 3.49Å; Y392-L646 WeakPolarHBondContact CA-O 3.46Å; Y392-L646 HydrophobicContact CD2-CB 3.82Å; Y392-L646 HydrophobicContact CG-CB 4.37Å; Y392-L646 PolarHBondContact N-O 2.92Å; Y392-L646 VanDerWaalsContact N-O 3.12Å; E642-L646 WeakPolarHBondContact O-CD1 3.3Å; L646-A655 HydrophobicContact CD2-CB 4.16Å; L646-Y658 HydrophobicContact CB-CE2 4.16Å; L646-Y658 HydrophobicContact CD2-CD2 3.76Å; L646-Y658 HydrophobicContact CD2-CE2 3.98Å | ||
| 647 | H | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | trans | -73.5 | 132 | 172.6 | -174 | -78.4 | 0 | 0 | 0 | 110 | I198 G199 Y202 M390 Y392 F649 C650 | I198-H647 VanDerWaalsContact CG2-CE1 3.45Å; I198-H647 WeakPolarHBondContact CG2-CE1 3.46Å; G199-H647 PolarHBondContact O-NE2 2.95Å; Y202-H647 PolarHBondContact O-NE2 2.77Å; M390-H647 HydrophobicContact CE-CB 4.27Å; M390-H647 HydrophobicContact SD-CB 3.83Å; Y392-H647 VanDerWaalsContact CD2-O 3.3Å; Y392-H647 WeakPolarHBondContact CD2-O 3.48Å; Y392-H647 VanDerWaalsContact CE2-O 3.24Å; Y392-H647 WeakPolarHBondContact CE2-O 3.43Å; H647-F649 AromaticContact CE1-CD2 3.67Å; H647-F649 AromaticContact CE1-CG 3.98Å; H647-F649 PolarHBondContact ND1-N 3.04Å; H647-F649 PolarHBondContact O-N 2.89Å; H647-C650 WeakPolarHBondContact O-CB 3.48Å; H647-C650 PolarHBondContact O-N 3.46Å; H647-C650 PolarHBondContact O-SG 2.96Å | ||
| 648 | P | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.2 | -173.9 | 19.6 | -31.5 | 0 | 0 | 0 | 114.8 | Y202 Y392 A868 | Y202-P648 HydrophobicContact CD1-CG 3.86Å; Y202-P648 HydrophobicContact CD2-CG 3.51Å; Y202-P648 HydrophobicContact CE1-CG 4.05Å; Y202-P648 HydrophobicContact CE2-CG 3.73Å; Y202-P648 HydrophobicContact CG-CG 3.58Å; Y392-P648 WeakPolarHBondContact CE2-O 3.37Å; P648-A868 HydrophobicContact CB-CB 4.28Å |
| 649 | F | 97.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 19.5 | -178.7 | -45.3 | -38.4 | 0 | 0 | 0 | 113.8 | M200 Y202 Q295 H647 H850 V852 V853 | M200-F649 HydrophobicContact CB-CD2 4.07Å; M200-F649 HydrophobicContact CB-CE2 4Å; M200-F649 HydrophobicContact CE-CD2 3.96Å; M200-F649 HydrophobicContact CE-CE2 4.08Å; M200-F649 HydrophobicContact SD-CD2 4.09Å; Y202-F649 AromaticContact CD2-CE2 3.95Å; Y202-F649 HydrophobicContact CD2-CE2 3.95Å; Y202-F649 HydrophobicContact CD2-CZ 4.34Å; Y202-F649 AromaticContact CE2-CE2 3.79Å; Y202-F649 HydrophobicContact CE2-CE2 3.79Å; Y202-F649 AromaticContact CE2-CZ 3.76Å; Y202-F649 HydrophobicContact CE2-CZ 3.76Å; Q295-F649 HydrophobicContact CB-CZ 4.33Å; Q295-F649 HydrophobicContact CG-CZ 4.05Å; H647-F649 AromaticContact CE1-CD2 3.67Å; H647-F649 AromaticContact CE1-CG 3.98Å; H647-F649 PolarHBondContact ND1-N 3.04Å; H647-F649 PolarHBondContact O-N 2.89Å; F649-H850 AromaticContact CE1-CE1 3.66Å; F649-V852 HydrophobicContact CB-CG1 4.29Å; F649-V852 HydrophobicContact CD1-CB 4.43Å; F649-V852 HydrophobicContact CD1-CG1 4.03Å; F649-V852 HydrophobicContact CD2-CG1 4.15Å; F649-V852 HydrophobicContact CE1-CB 4.46Å; F649-V852 HydrophobicContact CE1-CG1 4.42Å; F649-V852 HydrophobicContact CG-CG1 3.9Å; F649-V853 HydrophobicContact CB-CG2 4.09Å; F649-V853 HydrophobicContact CD1-CG2 3.55Å; F649-V853 HydrophobicContact CE1-CG2 4.46Å; F649-V853 HydrophobicContact CG-CG2 4.22Å |
| 650 | C | 96.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -61.3 | 156.1 | 169.9 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | H647 | H647-C650 WeakPolarHBondContact O-CB 3.48Å; H647-C650 PolarHBondContact O-N 3.46Å; H647-C650 PolarHBondContact O-SG 2.96Å |
| 651 | P | 95.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 26.7 Ų | 26.7 | 27% | 0.266 | 14% | 0.136 | S | C | . | . | trans | -50.3 | 136.1 | 171.7 | -27.9 | 34.5 | 0 | 0 | 0 | 112.2 | E653 Q654 | P651-E653 HydrophobicContact CB-CG 4.43Å; P651-E653 WeakPolarHBondContact CB-OE1 3.5Å; P651-E653 WeakPolarHBondContact CB-OE2 3.18Å; P651-E653 PolarHBondContact O-N 3.37Å; P651-E653 VanDerWaalsContact O-N 3.15Å; P651-Q654 HydrophobicContact CB-CG 4.33Å; P651-Q654 WeakPolarHBondContact O-CB 3.44Å; P651-Q654 PolarHBondContact O-N 3.05Å | ||
| 652 | P | 93.5 | Very high | 97.3 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 22% | 0.221 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -55.4 | -34.8 | -173 | -27.9 | 35.7 | 0 | 0 | 0 | 114.4 | Q654 A655 Q659 V853 I855 | P652-Q654 PolarHBondContact O-N 3.34Å; P652-Q654 VanDerWaalsContact O-N 3.16Å; P652-A655 PolarHBondContact O-N 2.81Å; P652-Q659 PolarHBondContact O-NE2 2.82Å; P652-V853 HydrophobicContact CG-CG1 4.31Å; P652-I855 HydrophobicContact CB-CG1 4.43Å; P652-I855 HydrophobicContact CG-CG1 4.16Å |
| 653 | E | 94.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 26.7 Ų | 26.7 | 42% | 0.421 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -65.5 | -11.1 | 177.4 | 68.8 | -83.6 | -167.6 | 0 | 0 | 114.4 | P651 | P651-E653 HydrophobicContact CB-CG 4.43Å; P651-E653 WeakPolarHBondContact CB-OE1 3.5Å; P651-E653 WeakPolarHBondContact CB-OE2 3.18Å; P651-E653 PolarHBondContact O-N 3.37Å; P651-E653 VanDerWaalsContact O-N 3.15Å |
| 654 | Q | 97.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -88.1 | -15.5 | 171.4 | -60 | 177.1 | 11.6 | 0 | 0 | 112.1 | N191 K192 F194 N524 P651 P652 | N191-Q654 CarbonylContact C-O 3.59Å; N191-Q654 VanDerWaalsContact CA-O 3.28Å; N191-Q654 WeakPolarHBondContact CA-O 3.09Å; K192-Q654 HydrophobicContact CB-CB 4.13Å; K192-Q654 HydrophobicContact CB-CG 4.33Å; K192-Q654 PolarHBondContact N-O 2.57Å; F194-Q654 VanDerWaalsContact CD2-NE2 3.33Å; N524-Q654 PolarHBondContact ND2-OE1 3.44Å; N524-Q654 PolarHBondContact OD1-NE2 3.08Å; N524-Q654 PolarHBondContact OD1-OE1 3.2Å; P651-Q654 HydrophobicContact CB-CG 4.33Å; P651-Q654 WeakPolarHBondContact O-CB 3.44Å; P651-Q654 PolarHBondContact O-N 3.05Å; P652-Q654 PolarHBondContact O-N 3.34Å; P652-Q654 VanDerWaalsContact O-N 3.16Å |
| 655 | A | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -112.1 | 30.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N191 Y392 L646 P652 G657 Y658 Q659 | N191-A655 WeakPolarHBondContact OD1-CA 3.47Å; Y392-A655 HydrophobicContact CE1-CB 4.1Å; Y392-A655 HydrophobicContact CE2-CB 4.04Å; Y392-A655 WeakPolarHBondContact OH-CB 3.31Å; L646-A655 HydrophobicContact CD2-CB 4.16Å; P652-A655 PolarHBondContact O-N 2.81Å; A655-G657 VanDerWaalsContact C-N 3.28Å; A655-G657 PolarHBondContact O-N 2.74Å; A655-Y658 WeakPolarHBondContact O-CB 3.09Å; A655-Y658 PolarHBondContact O-N 3.21Å; A655-Y658 VanDerWaalsContact O-N 3.14Å; A655-Q659 WeakPolarHBondContact O-CG 3.41Å; A655-Q659 PolarHBondContact O-N 3.45Å | ||
| 656 | E | 97.4 | Very high | 97.2 | Very high | 70 Ų | 70 | 25.5 Ų | 25.5 | 33% | 0.327 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -57.5 | -38.1 | -178.9 | -72.1 | -174.4 | -164.4 | 0 | 0 | 113.3 | R190 Q659 Q660 | R190-E656 HydrophobicContact CB-CB 4.2Å; R190-E656 IonicContact CZ-OE2 3.52Å; R190-E656 IonicContact NE-OE2 2.67Å; R190-E656 PolarHBondContact NE-OE2 2.92Å; R190-E656 IonicContact NH2-OE2 3.54Å; R190-E656 PolarHBondContact NH2-OE2 3.31Å; E656-Q659 PolarHBondContact O-N 2.99Å; E656-Q660 WeakPolarHBondContact O-CB 3.35Å; E656-Q660 PolarHBondContact O-N 3.19Å |
| 657 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I187 N191 A655 Q660 M661 | I187-G657 WeakPolarHBondContact CG2-O 3.24Å; I187-G657 WeakPolarHBondContact O-CA 3.44Å; N191-G657 WeakPolarHBondContact OD1-CA 3.19Å; N191-G657 PolarHBondContact OD1-N 3.14Å; A655-G657 VanDerWaalsContact C-N 3.28Å; A655-G657 PolarHBondContact O-N 2.74Å; G657-Q660 PolarHBondContact O-N 3.1Å; G657-M661 WeakPolarHBondContact O-CB 3.5Å; G657-M661 PolarHBondContact O-N 2.89Å |
| 658 | Y | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 171.2 | -93.9 | -64.6 | 0 | 0 | 0 | 112 | N191 Y392 F643 L646 A655 Q660 M661 I662 A873 | N191-Y658 VanDerWaalsContact ND2-CD2 3.26Å; N191-Y658 WeakPolarHBondContact ND2-CD2 3.43Å; N191-Y658 PolarHBondContact OD1-N 2.95Å; Y392-Y658 WeakPolarHBondContact CB-OH 3.36Å; Y392-Y658 HydrophobicContact CD1-CD1 4.01Å; Y392-Y658 AromaticContact CD1-CD2 3.67Å; Y392-Y658 HydrophobicContact CD1-CD2 3.67Å; Y392-Y658 HydrophobicContact CD1-CE1 4.29Å; Y392-Y658 AromaticContact CD1-CE2 3.99Å; Y392-Y658 HydrophobicContact CD1-CE2 3.99Å; Y392-Y658 AromaticContact CD1-CG 3.68Å; Y392-Y658 HydrophobicContact CD1-CG 3.68Å; Y392-Y658 HydrophobicContact CD2-CD2 4.46Å; Y392-Y658 HydrophobicContact CD2-CE2 4.49Å; Y392-Y658 HydrophobicContact CE1-CD2 4.31Å; Y392-Y658 HydrophobicContact CE1-CG 4.21Å; Y392-Y658 AromaticContact CG-CD2 3.77Å; Y392-Y658 HydrophobicContact CG-CD2 3.77Å; Y392-Y658 AromaticContact CG-CE2 3.71Å; Y392-Y658 HydrophobicContact CG-CE2 3.71Å; Y392-Y658 HydrophobicContact CG-CG 4.24Å; F643-Y658 VanDerWaalsContact C-OH 3.23Å; F643-Y658 VanDerWaalsContact CA-OH 3.23Å; F643-Y658 WeakPolarHBondContact CA-OH 3.08Å; F643-Y658 WeakPolarHBondContact CB-OH 3.4Å; F643-Y658 HydrophobicContact CD1-CD1 4.1Å; F643-Y658 HydrophobicContact CD1-CD2 4.25Å; F643-Y658 AromaticContact CD1-CE1 3.62Å; F643-Y658 HydrophobicContact CD1-CE1 3.62Å; F643-Y658 AromaticContact CD1-CE2 3.77Å; F643-Y658 HydrophobicContact CD1-CE2 3.77Å; F643-Y658 HydrophobicContact CD1-CG 4.4Å; F643-Y658 AromaticContact CD1-CZ 3.46Å; F643-Y658 VanDerWaalsContact CD1-CZ 3.46Å; F643-Y658 HydrophobicContact CE1-CD1 4.26Å; F643-Y658 HydrophobicContact CE1-CE1 4.18Å; F643-Y658 PolarHBondContact O-OH 3.02Å; L646-Y658 HydrophobicContact CB-CE2 4.16Å; L646-Y658 HydrophobicContact CD2-CD2 3.76Å; L646-Y658 HydrophobicContact CD2-CE2 3.98Å; A655-Y658 WeakPolarHBondContact O-CB 3.09Å; A655-Y658 PolarHBondContact O-N 3.21Å; A655-Y658 VanDerWaalsContact O-N 3.14Å; Y658-Q660 VanDerWaalsContact C-N 3.33Å; Y658-Q660 PolarHBondContact O-N 3.21Å; Y658-M661 HydrophobicContact CD1-CE 3.78Å; Y658-M661 HydrophobicContact CE1-CE 4.06Å; Y658-M661 PolarHBondContact O-N 3.42Å; Y658-I662 HydrophobicContact CD1-CD1 4.24Å; Y658-I662 VanDerWaalsContact O-CB 3.29Å; Y658-I662 WeakPolarHBondContact O-CB 3.16Å; Y658-I662 WeakPolarHBondContact O-CG1 3.41Å; Y658-I662 PolarHBondContact O-N 3.47Å; Y658-A873 HydrophobicContact CD1-CB 4.29Å; Y658-A873 HydrophobicContact CE1-CB 3.84Å |
| 659 | Q | 96.6 | Very high | 97.2 | Very high | 68 Ų | 68 | 29.8 Ų | 29.8 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 179.9 | -69.4 | 179.7 | 29.1 | 0 | 0 | 111.8 | P652 A655 E656 A663 | P652-Q659 PolarHBondContact O-NE2 2.82Å; A655-Q659 WeakPolarHBondContact O-CG 3.41Å; A655-Q659 PolarHBondContact O-N 3.45Å; E656-Q659 PolarHBondContact O-N 2.99Å; Q659-A663 WeakPolarHBondContact O-CB 3.44Å; Q659-A663 PolarHBondContact O-N 3.09Å |
| 660 | Q | 97.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 30.3 Ų | 30.3 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.2 | -49.4 | 176.6 | 179.7 | 179.7 | -12.2 | 0 | 0 | 111.9 | I187 E656 G657 Y658 A663 Q664 | I187-Q660 HydrophobicContact CG2-CB 4.11Å; I187-Q660 HydrophobicContact CG2-CG 4.22Å; E656-Q660 WeakPolarHBondContact O-CB 3.35Å; E656-Q660 PolarHBondContact O-N 3.19Å; G657-Q660 PolarHBondContact O-N 3.1Å; Y658-Q660 VanDerWaalsContact C-N 3.33Å; Y658-Q660 PolarHBondContact O-N 3.21Å; Q660-A663 PolarHBondContact O-N 2.9Å; Q660-Q664 WeakPolarHBondContact O-CB 3.4Å; Q660-Q664 WeakPolarHBondContact O-CG 3.29Å; Q660-Q664 PolarHBondContact O-N 3.49Å |
| 661 | M | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | -179.1 | 178.5 | -81.5 | -65.5 | 0 | 0 | 111.5 | L184 I187 F643 G657 Y658 Q664 L665 L876 P877 W880 | L184-M661 HydrophobicContact CD1-CG 4.03Å; I187-M661 HydrophobicContact CG2-CB 4.06Å; F643-M661 HydrophobicContact CE1-CE 4.41Å; G657-M661 WeakPolarHBondContact O-CB 3.5Å; G657-M661 PolarHBondContact O-N 2.89Å; Y658-M661 HydrophobicContact CD1-CE 3.78Å; Y658-M661 HydrophobicContact CE1-CE 4.06Å; Y658-M661 PolarHBondContact O-N 3.42Å; M661-Q664 PolarHBondContact O-N 2.88Å; M661-L665 WeakPolarHBondContact O-CB 3.44Å; M661-L665 PolarHBondContact O-N 3.04Å; M661-L876 HydrophobicContact CE-CB 3.93Å; M661-L876 HydrophobicContact SD-CB 3.98Å; M661-P877 HydrophobicContact CE-CG 4.01Å; M661-W880 HydrophobicContact CG-CB 4.3Å; M661-W880 HydrophobicContact CG-CG 3.96Å; M661-W880 HydrophobicContact SD-CB 4.31Å |
| 662 | I | 97.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 178 | -68.9 | 169.4 | 0 | 0 | 0 | 110.7 | Y658 L665 A666 M680 F870 L876 | Y658-I662 HydrophobicContact CD1-CD1 4.24Å; Y658-I662 VanDerWaalsContact O-CB 3.29Å; Y658-I662 WeakPolarHBondContact O-CB 3.16Å; Y658-I662 WeakPolarHBondContact O-CG1 3.41Å; Y658-I662 PolarHBondContact O-N 3.47Å; I662-L665 PolarHBondContact O-N 3.41Å; I662-A666 VanDerWaalsContact O-CB 3.26Å; I662-A666 WeakPolarHBondContact O-CB 3.33Å; I662-A666 PolarHBondContact O-N 3.41Å; I662-M680 HydrophobicContact CG2-CG 4.04Å; I662-F870 HydrophobicContact CD1-CB 4.13Å; I662-F870 HydrophobicContact CD1-CD1 4.08Å; I662-F870 HydrophobicContact CD1-CD2 3.95Å; I662-F870 HydrophobicContact CD1-CE1 4.47Å; I662-F870 HydrophobicContact CD1-CE2 4.35Å; I662-F870 HydrophobicContact CD1-CG 3.79Å; I662-F870 HydrophobicContact CG2-CD1 4.23Å; I662-F870 HydrophobicContact CG2-CE1 4.2Å; I662-L876 HydrophobicContact CD1-CD1 4.31Å; I662-L876 HydrophobicContact CG1-CD1 3.91Å |
| 663 | A | 97 | Very high | 97.6 | Very high | 61 Ų | 61 | 30.3 Ų | 30.3 | 50% | 0.504 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q659 Q660 A666 D667 | Q659-A663 WeakPolarHBondContact O-CB 3.44Å; Q659-A663 PolarHBondContact O-N 3.09Å; Q660-A663 PolarHBondContact O-N 2.9Å; A663-A666 PolarHBondContact O-N 2.89Å; A663-D667 WeakPolarHBondContact O-CB 3.4Å; A663-D667 PolarHBondContact O-N 2.74Å |
| 664 | Q | 97.9 | Very high | 97.7 | Very high | 50 Ų | 50 | 27.2 Ų | 27.2 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 174.8 | -74.6 | 177 | -19 | 0 | 0 | 111.7 | Q660 M661 A666 D667 W668 | Q660-Q664 WeakPolarHBondContact O-CB 3.4Å; Q660-Q664 WeakPolarHBondContact O-CG 3.29Å; Q660-Q664 PolarHBondContact O-N 3.49Å; M661-Q664 PolarHBondContact O-N 2.88Å; Q664-A666 VanDerWaalsContact C-N 3.34Å; Q664-A666 PolarHBondContact O-N 2.99Å; Q664-D667 PolarHBondContact O-N 2.88Å; Q664-W668 PolarHBondContact O-N 2.76Å |
| 665 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.9 | -177.8 | 60 | 0 | 0 | 0 | 111 | M661 I662 W668 L669 M680 L876 I883 | M661-L665 WeakPolarHBondContact O-CB 3.44Å; M661-L665 PolarHBondContact O-N 3.04Å; I662-L665 PolarHBondContact O-N 3.41Å; L665-W668 HydrophobicContact CD1-CE3 4.48Å; L665-W668 PolarHBondContact O-N 3.06Å; L665-L669 HydrophobicContact CD1-CD1 4.4Å; L665-L669 HydrophobicContact CD1-CG 4.23Å; L665-L669 HydrophobicContact CG-CD1 4.19Å; L665-L669 HydrophobicContact CG-CG 4.41Å; L665-L669 WeakPolarHBondContact O-CB 3.47Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.3Å; L665-L669 PolarHBondContact O-N 2.78Å; L665-M680 HydrophobicContact CB-CE 4.2Å; L665-M680 HydrophobicContact CD2-CE 4.08Å; L665-M680 HydrophobicContact CG-CE 3.86Å; L665-L876 HydrophobicContact CD2-CB 4.03Å; L665-L876 HydrophobicContact CD2-CD2 4.12Å; L665-I883 HydrophobicContact CD1-CD1 3.73Å |
| 666 | A | 97.7 | Very high | 97.8 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I662 A663 Q664 W668 L669 V670 V678 M680 | I662-A666 VanDerWaalsContact O-CB 3.26Å; I662-A666 WeakPolarHBondContact O-CB 3.33Å; I662-A666 PolarHBondContact O-N 3.41Å; A663-A666 PolarHBondContact O-N 2.89Å; Q664-A666 VanDerWaalsContact C-N 3.34Å; Q664-A666 PolarHBondContact O-N 2.99Å; A666-W668 PolarHBondContact O-N 2.73Å; A666-L669 PolarHBondContact O-N 3.38Å; A666-V670 WeakPolarHBondContact O-CB 3.31Å; A666-V670 VanDerWaalsContact O-CG2 3.29Å; A666-V670 WeakPolarHBondContact O-CG2 3.47Å; A666-V670 PolarHBondContact O-N 3.21Å; A666-V678 HydrophobicContact CB-CB 4.29Å; A666-M680 HydrophobicContact CB-CE 3.8Å |
| 667 | D | 97.9 | Very high | 97.8 | Very high | 72 Ų | 72 | 28.8 Ų | 28.8 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 176 | 174.2 | 68 | 0 | 0 | 0 | 112.1 | A663 Q664 V670 K671 | A663-D667 WeakPolarHBondContact O-CB 3.4Å; A663-D667 PolarHBondContact O-N 2.74Å; Q664-D667 PolarHBondContact O-N 2.88Å; D667-V670 PolarHBondContact O-N 3Å; D667-K671 WeakPolarHBondContact O-CG 3.32Å; D667-K671 PolarHBondContact O-N 3.35Å; D667-K671 VanDerWaalsContact O-N 3.1Å; D667-K671 WeakPolarHBondContact OD1-CE 3.3Å; D667-K671 IonicContact OD1-NZ 3.44Å; D667-K671 VanDerWaalsContact OD2-CE 3.24Å; D667-K671 WeakPolarHBondContact OD2-CE 3.47Å; D667-K671 IonicContact OD2-NZ 3.25Å; D667-K671 PolarHBondContact OD2-NZ 3.44Å |
| 668 | W | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 29.7 Ų | 29.7 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.9 | -65.2 | -26.8 | 0 | 0 | 0 | 112.1 | V171 Q664 L665 A666 V670 K671 L672 W880 I883 R884 | V171-W668 HydrophobicContact CB-CG 4.22Å; V171-W668 HydrophobicContact CG1-CB 3.98Å; V171-W668 HydrophobicContact CG1-CG 4.09Å; V171-W668 PolarHBondContact O-NE1 2.92Å; Q664-W668 PolarHBondContact O-N 2.76Å; L665-W668 HydrophobicContact CD1-CE3 4.48Å; L665-W668 PolarHBondContact O-N 3.06Å; A666-W668 PolarHBondContact O-N 2.73Å; W668-V670 VanDerWaalsContact C-N 3.35Å; W668-V670 PolarHBondContact O-N 3.33Å; W668-K671 PolarHBondContact O-N 3.32Å; W668-L672 WeakPolarHBondContact O-CB 3.29Å; W668-L672 VanDerWaalsContact O-CG 3.22Å; W668-L672 WeakPolarHBondContact O-CG 3.21Å; W668-L672 PolarHBondContact O-N 3.37Å; W668-W880 AromaticContact CH2-CD1 3.94Å; W668-W880 HydrophobicContact CH2-CD2 4.09Å; W668-W880 AromaticContact CH2-CE2 3.55Å; W668-W880 HydrophobicContact CH2-CG 4.3Å; W668-W880 AromaticContact CH2-CZ2 3.89Å; W668-W880 HydrophobicContact CH2-CZ2 3.89Å; W668-W880 AromaticContact CH2-NE1 3.49Å; W668-W880 HydrophobicContact CZ3-CB 4.43Å; W668-W880 AromaticContact CZ3-CD1 3.44Å; W668-W880 VanDerWaalsContact CZ3-CD1 3.44Å; W668-W880 AromaticContact CZ3-CD2 3.94Å; W668-W880 HydrophobicContact CZ3-CD2 3.94Å; W668-W880 AromaticContact CZ3-CE2 3.8Å; W668-W880 AromaticContact CZ3-CG 3.71Å; W668-W880 HydrophobicContact CZ3-CG 3.71Å; W668-W880 AromaticContact CZ3-NE1 3.5Å; W668-I883 HydrophobicContact CB-CD1 4.27Å; W668-I883 HydrophobicContact CB-CG2 3.98Å; W668-I883 HydrophobicContact CD2-CB 4.48Å; W668-I883 HydrophobicContact CD2-CG2 3.57Å; W668-I883 HydrophobicContact CE3-CB 3.84Å; W668-I883 HydrophobicContact CE3-CD1 4.37Å; W668-I883 HydrophobicContact CE3-CG2 3.43Å; W668-I883 VanDerWaalsContact CE3-CG2 3.43Å; W668-I883 HydrophobicContact CG-CG2 3.84Å; W668-I883 HydrophobicContact CZ3-CB 4.25Å; W668-I883 HydrophobicContact CZ3-CG2 4.09Å; W668-R884 HydrophobicContact CH2-CB 3.94Å; W668-R884 HydrophobicContact CH2-CG 4.5Å; W668-R884 HydrophobicContact CZ3-CB 4.32Å |
| 669 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 178.9 | -68.2 | -178.1 | 0 | 0 | 0 | 111.9 | L665 A666 K671 L672 T673 V678 M680 L817 L819 F823 P836 I883 | L665-L669 HydrophobicContact CD1-CD1 4.4Å; L665-L669 HydrophobicContact CD1-CG 4.23Å; L665-L669 HydrophobicContact CG-CD1 4.19Å; L665-L669 HydrophobicContact CG-CG 4.41Å; L665-L669 WeakPolarHBondContact O-CB 3.47Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.3Å; L665-L669 PolarHBondContact O-N 2.78Å; A666-L669 PolarHBondContact O-N 3.38Å; L669-K671 VanDerWaalsContact C-N 3.34Å; L669-K671 PolarHBondContact O-N 2.94Å; L669-L672 PolarHBondContact O-N 3.45Å; L669-T673 WeakPolarHBondContact O-CB 3.43Å; L669-T673 WeakPolarHBondContact O-CG2 3.43Å; L669-T673 PolarHBondContact O-N 3.07Å; L669-T673 PolarHBondContact O-OG1 3.22Å; L669-V678 HydrophobicContact CB-CG2 4.1Å; L669-M680 HydrophobicContact CD1-CE 3.77Å; L669-M680 HydrophobicContact CD1-SD 4.47Å; L669-L817 HydrophobicContact CB-CD1 4.32Å; L669-L817 HydrophobicContact CD1-CD1 4.11Å; L669-L817 HydrophobicContact CD2-CD1 3.79Å; L669-L817 HydrophobicContact CG-CD1 4.28Å; L669-L819 HydrophobicContact CD1-CD2 4.32Å; L669-F823 HydrophobicContact CD2-CE1 4.09Å; L669-F823 HydrophobicContact CD2-CE2 4.23Å; L669-F823 HydrophobicContact CD2-CZ 3.93Å; L669-P836 HydrophobicContact CD1-CG 4.21Å; L669-I883 HydrophobicContact CD2-CD1 4.06Å |
| 670 | V | 98.1 | Very high | 97.7 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.8 | -50.5 | 171.6 | 162.6 | 0 | 0 | 0 | 0 | 110.4 | A666 D667 W668 T673 G674 Y675 V678 | A666-V670 WeakPolarHBondContact O-CB 3.31Å; A666-V670 VanDerWaalsContact O-CG2 3.29Å; A666-V670 WeakPolarHBondContact O-CG2 3.47Å; A666-V670 PolarHBondContact O-N 3.21Å; D667-V670 PolarHBondContact O-N 3Å; W668-V670 VanDerWaalsContact C-N 3.35Å; W668-V670 PolarHBondContact O-N 3.33Å; V670-T673 PolarHBondContact O-N 3.16Å; V670-T673 PolarHBondContact O-OG1 2.82Å; V670-G674 PolarHBondContact O-N 3.42Å; V670-Y675 VanDerWaalsContact CG1-O 3.28Å; V670-Y675 WeakPolarHBondContact CG1-O 3.41Å; V670-Y675 PolarHBondContact O-N 2.95Å; V670-V678 HydrophobicContact CG2-CB 4.48Å; V670-V678 HydrophobicContact CG2-CG2 3.7Å |
| 671 | K | 97.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 24.7 Ų | 24.7 | 33% | 0.326 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 180 | -69.4 | 165.4 | 176.9 | 172 | 0 | 112.9 | P169 Q170 V171 D667 W668 L669 T673 | P169-K671 HydrophobicContact CB-CB 4.22Å; P169-K671 WeakPolarHBondContact CB-O 3.37Å; Q170-K671 WeakPolarHBondContact O-CD 3.26Å; Q170-K671 PolarHBondContact O-NZ 3.34Å; V171-K671 HydrophobicContact CG1-CB 4.48Å; D667-K671 WeakPolarHBondContact O-CG 3.32Å; D667-K671 PolarHBondContact O-N 3.35Å; D667-K671 VanDerWaalsContact O-N 3.1Å; D667-K671 WeakPolarHBondContact OD1-CE 3.3Å; D667-K671 IonicContact OD1-NZ 3.44Å; D667-K671 VanDerWaalsContact OD2-CE 3.24Å; D667-K671 WeakPolarHBondContact OD2-CE 3.47Å; D667-K671 IonicContact OD2-NZ 3.25Å; D667-K671 PolarHBondContact OD2-NZ 3.44Å; W668-K671 PolarHBondContact O-N 3.32Å; L669-K671 VanDerWaalsContact C-N 3.34Å; L669-K671 PolarHBondContact O-N 2.94Å; K671-T673 VanDerWaalsContact C-N 3.25Å; K671-T673 PolarHBondContact O-N 3.21Å |
| 672 | L | 97.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69 | -25.6 | -178.9 | -65.3 | 171 | 0 | 0 | 0 | 112.5 | P169 V171 W668 L669 V802 F823 I883 L891 | P169-L672 HydrophobicContact CB-CD2 4.09Å; P169-L672 HydrophobicContact CG-CD2 4.25Å; V171-L672 HydrophobicContact CG1-CD1 4.32Å; V171-L672 HydrophobicContact CG1-CD2 3.82Å; V171-L672 HydrophobicContact CG1-CG 3.88Å; W668-L672 WeakPolarHBondContact O-CB 3.29Å; W668-L672 VanDerWaalsContact O-CG 3.22Å; W668-L672 WeakPolarHBondContact O-CG 3.21Å; W668-L672 PolarHBondContact O-N 3.37Å; L669-L672 PolarHBondContact O-N 3.45Å; L672-V802 HydrophobicContact CD2-CG1 4.08Å; L672-F823 HydrophobicContact CD1-CE1 4.07Å; L672-I883 HydrophobicContact CD1-CD1 3.98Å; L672-I883 HydrophobicContact CD1-CG1 4.34Å; L672-L891 HydrophobicContact CD1-CD1 4.12Å; L672-L891 HydrophobicContact CD2-CD1 3.95Å |
| 673 | T | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -103.8 | -14.7 | -177.1 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | L669 V670 K671 Y675 M798 S806 P807 G808 L817 | L669-T673 WeakPolarHBondContact O-CB 3.43Å; L669-T673 WeakPolarHBondContact O-CG2 3.43Å; L669-T673 PolarHBondContact O-N 3.07Å; L669-T673 PolarHBondContact O-OG1 3.22Å; V670-T673 PolarHBondContact O-N 3.16Å; V670-T673 PolarHBondContact O-OG1 2.82Å; K671-T673 VanDerWaalsContact C-N 3.25Å; K671-T673 PolarHBondContact O-N 3.21Å; T673-Y675 VanDerWaalsContact C-N 3.26Å; T673-Y675 VanDerWaalsContact CB-CD2 3.41Å; T673-Y675 HydrophobicContact CG2-CD2 4.29Å; T673-Y675 PolarHBondContact O-N 3.35Å; T673-Y675 WeakPolarHBondContact OG1-CD2 3.4Å; T673-M798 HydrophobicContact CG2-CE 4.05Å; T673-S806 WeakPolarHBondContact O-CB 3.39Å; T673-P807 WeakPolarHBondContact O-CD 3.35Å; T673-G808 PolarHBondContact O-N 2.83Å; T673-L817 HydrophobicContact CG2-CD1 3.86Å; T673-L817 HydrophobicContact CG2-CD2 3.83Å; T673-L817 HydrophobicContact CG2-CG 4.33Å |
| 674 | G | 96.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 25% | 0.247 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 20.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V670 G808 K840 | V670-G674 PolarHBondContact O-N 3.42Å; G674-G808 WeakPolarHBondContact O-CA 3.35Å; G674-K840 PolarHBondContact O-NZ 3.26Å |
| 675 | Y | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 3% | 0.027 | 11% | 0.109 | C | C | . | . | trans | -85.9 | -176.5 | 172.3 | -74.7 | -55 | 0 | 0 | 0 | 111.7 | V670 T673 P807 A812 D813 V814 S815 G838 V839 K840 | V670-Y675 VanDerWaalsContact CG1-O 3.28Å; V670-Y675 WeakPolarHBondContact CG1-O 3.41Å; V670-Y675 PolarHBondContact O-N 2.95Å; T673-Y675 VanDerWaalsContact C-N 3.26Å; T673-Y675 VanDerWaalsContact CB-CD2 3.41Å; T673-Y675 HydrophobicContact CG2-CD2 4.29Å; T673-Y675 PolarHBondContact O-N 3.35Å; T673-Y675 WeakPolarHBondContact OG1-CD2 3.4Å; Y675-P807 HydrophobicContact CE2-CB 4Å; Y675-P807 WeakPolarHBondContact OH-CB 3.46Å; Y675-A812 WeakPolarHBondContact CE1-O 3.21Å; Y675-A812 VanDerWaalsContact OH-CB 3.22Å; Y675-A812 WeakPolarHBondContact OH-CB 3.03Å; Y675-D813 WeakPolarHBondContact CE1-O 3.15Å; Y675-V814 PolarHBondContact OH-O 3.02Å; Y675-S815 WeakPolarHBondContact OH-CB 3.36Å; Y675-S815 PolarHBondContact OH-N 3.43Å; Y675-S815 PolarHBondContact OH-OG 3.44Å; Y675-G838 VanDerWaalsContact CD2-C 3.41Å; Y675-G838 VanDerWaalsContact CD2-CA 3.49Å; Y675-G838 VanDerWaalsContact CG-C 3.44Å; Y675-V839 WeakPolarHBondContact CB-O 3.14Å; Y675-V839 VanDerWaalsContact CD1-C 3.46Å; Y675-K840 HydrophobicContact CD1-CD 4.14Å; Y675-K840 HydrophobicContact CD1-CG 4.07Å; Y675-K840 HydrophobicContact CE1-CG 4.29Å | ||
| 676 | D | 97.9 | Very high | 97.6 | Very high | 92 Ų | 92 | 19.3 Ų | 19.3 | 49% | 0.492 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -114.6 | -23.4 | -179.4 | -57.7 | -64 | 0 | 0 | 0 | 112.3 | V839 K840 A841 | D676-V839 PolarHBondContact N-O 3.24Å; D676-K840 VanDerWaalsContact OD2-CA 3.26Å; D676-K840 WeakPolarHBondContact OD2-CA 3.48Å; D676-K840 WeakPolarHBondContact OD2-CD 3.31Å; D676-A841 HydrophobicContact CB-CB 3.97Å; D676-A841 PolarHBondContact OD2-N 3.21Å |
| 677 | A | 97.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 158.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G838 V839 A844 L859 | A677-G838 CarbonylContact O-C 3.42Å; A677-G838 WeakPolarHBondContact O-CA 3.34Å; A677-V839 HydrophobicContact CB-CG2 4.04Å; A677-V839 PolarHBondContact N-O 3.13Å; A677-V839 VanDerWaalsContact N-O 3.13Å; A677-V839 PolarHBondContact O-N 3.23Å; A677-A844 HydrophobicContact CB-CB 3.87Å; A677-L859 HydrophobicContact CB-CD1 3.92Å; A677-L859 HydrophobicContact CB-CD2 3.93Å |
| 678 | V | 97.4 | Very high | 97.6 | Very high | 18 Ų | 18 | 15.1 Ų | 15.1 | 11% | 0.109 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.5 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | A666 L669 V670 M680 P836 I837 | A666-V678 HydrophobicContact CB-CB 4.29Å; L669-V678 HydrophobicContact CB-CG2 4.1Å; V670-V678 HydrophobicContact CG2-CB 4.48Å; V670-V678 HydrophobicContact CG2-CG2 3.7Å; V678-M680 HydrophobicContact CG1-CE 3.83Å; V678-M680 HydrophobicContact CG1-CG 4.2Å; V678-M680 HydrophobicContact CG1-SD 3.97Å; V678-P836 HydrophobicContact CG1-CB 4Å; V678-I837 CarbonylContact C-O 3.51Å; V678-I837 WeakPolarHBondContact CA-O 3.5Å |
| 679 | C | 96.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 6% | 0.061 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.8 | 167.2 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | P836 I837 V847 | C679-P836 CarbonylContact O-C 3.54Å; C679-P836 VanDerWaalsContact O-CA 3.23Å; C679-P836 WeakPolarHBondContact O-CA 3.36Å; C679-P836 WeakPolarHBondContact O-CB 3.42Å; C679-I837 HydrophobicContact CB-CD1 4.27Å; C679-I837 HydrophobicContact CB-CG1 3.71Å; C679-I837 PolarHBondContact N-O 3.15Å; C679-I837 PolarHBondContact O-N 3.29Å; C679-V847 HydrophobicContact CB-CB 3.89Å; C679-V847 HydrophobicContact CB-CG1 4.3Å; C679-V847 HydrophobicContact CB-CG2 3.88Å |
| 680 | M | 96.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 4% | 0.039 | 8% | 0.082 | C | C | . | . | trans | -93.5 | 2.3 | -174.9 | -68.5 | -72 | -169.2 | 0 | 0 | 114.2 | I662 L665 A666 L669 V678 M834 P836 F870 | I662-M680 HydrophobicContact CG2-CG 4.04Å; L665-M680 HydrophobicContact CB-CE 4.2Å; L665-M680 HydrophobicContact CD2-CE 4.08Å; L665-M680 HydrophobicContact CG-CE 3.86Å; A666-M680 HydrophobicContact CB-CE 3.8Å; L669-M680 HydrophobicContact CD1-CE 3.77Å; L669-M680 HydrophobicContact CD1-SD 4.47Å; V678-M680 HydrophobicContact CG1-CE 3.83Å; V678-M680 HydrophobicContact CG1-CG 4.2Å; V678-M680 HydrophobicContact CG1-SD 3.97Å; M680-M834 WeakPolarHBondContact O-CE 3.47Å; M680-P836 HydrophobicContact SD-CB 3.63Å; M680-P836 HydrophobicContact SD-CG 4.23Å; M680-F870 HydrophobicContact CB-CD1 4.08Å; M680-F870 CarbonylContact O-C 3.51Å | ||
| 681 | Q | 97.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | trans | -67.2 | -43.6 | -175.4 | -175.9 | 171.5 | 94.2 | 0 | 0 | 115.1 | N683 G849 V865 S866 P869 G871 | Q681-N683 PolarHBondContact O-N 3.13Å; Q681-G849 PolarHBondContact NE2-O 3.17Å; Q681-G849 PolarHBondContact OE1-O 3.43Å; Q681-V865 HydrophobicContact CG-CG2 4.07Å; Q681-S866 PolarHBondContact O-OG 2.69Å; Q681-P869 WeakPolarHBondContact CB-O 3.39Å; Q681-G871 WeakPolarHBondContact O-CA 3.5Å; Q681-G871 PolarHBondContact O-N 3.43Å | ||
| 682 | P | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -66.5 | 123.8 | -169.4 | -16.3 | 28.2 | 0 | 0 | 0 | 112.7 | S684 Q687 A691 G835 V865 | P682-S684 PolarHBondContact O-N 2.71Å; P682-Q687 HydrophobicContact CB-CB 3.88Å; P682-A691 HydrophobicContact CB-CB 4.48Å; P682-A691 HydrophobicContact CG-CB 3.67Å; P682-G835 WeakPolarHBondContact CB-O 3.34Å; P682-G835 CarbonylContact O-C 3.38Å; P682-G835 PolarHBondContact O-N 3.09Å; P682-V865 HydrophobicContact CB-CG2 4.36Å; P682-V865 HydrophobicContact CG-CG2 4.15Å | ||
| 683 | N | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -93.4 | 20.9 | -173.7 | 57.3 | -3.9 | 0 | 0 | 0 | 115.1 | D262 Q681 G833 M834 S866 | D262-N683 PolarHBondContact OD2-ND2 3.47Å; Q681-N683 PolarHBondContact O-N 3.13Å; N683-G833 CarbonylContact C-O 3.59Å; N683-G833 CarbonylContact O-C 3.54Å; N683-M834 HydrophobicContact CB-SD 4.17Å; N683-S866 PolarHBondContact OD1-OG 3.23Å |
| 684 | S | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -166.6 | 164.8 | 167.3 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | L261 P682 A686 Q687 G688 G835 | L261-S684 WeakPolarHBondContact CD1-OG 3.28Å; P682-S684 PolarHBondContact O-N 2.71Å; S684-A686 VanDerWaalsContact C-N 3.34Å; S684-A686 PolarHBondContact O-N 2.68Å; S684-Q687 PolarHBondContact O-N 3.14Å; S684-Q687 VanDerWaalsContact O-N 3.16Å; S684-Q687 WeakPolarHBondContact OG-CB 3.32Å; S684-Q687 PolarHBondContact OG-N 3.07Å; S684-G688 PolarHBondContact O-N 2.96Å; S684-G835 WeakPolarHBondContact O-CA 3.45Å |
| 685 | G | 96.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q687 G688 E689 H816 | G685-Q687 VanDerWaalsContact C-N 3.3Å; G685-Q687 PolarHBondContact O-N 3.08Å; G685-G688 CarbonylContact O-C 3.6Å; G685-G688 WeakPolarHBondContact O-CA 3.07Å; G685-G688 PolarHBondContact O-N 3.22Å; G685-E689 PolarHBondContact O-N 3.41Å; G685-H816 WeakPolarHBondContact CA-CD2 3.33Å; G685-H816 WeakPolarHBondContact CA-NE2 2.76Å; G685-H816 PolarHBondContact O-CD2 3.35Å |
| 686 | A | 97.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 7.9 Ų | 7.9 | 4% | 0.041 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N446 S684 E689 Y690 T720 S724 | N446-A686 HydrophobicContact CB-CB 4.33Å; N446-A686 PolarHBondContact ND2-O 2.87Å; N446-A686 WeakPolarHBondContact O-CB 3.19Å; S684-A686 VanDerWaalsContact C-N 3.34Å; S684-A686 PolarHBondContact O-N 2.68Å; A686-E689 PolarHBondContact O-N 2.73Å; A686-Y690 PolarHBondContact O-N 3.23Å; A686-T720 HydrophobicContact CB-CG2 4.02Å; A686-S724 PolarHBondContact O-OG 3.25Å |
| 687 | Q | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 6 Ų | 6 | 1% | 0.014 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -71.1 | -32.1 | 171.6 | -79.9 | -76.6 | 105.5 | 0 | 0 | 112.3 | L261 P682 S684 G685 Y690 A691 V865 | L261-Q687 HydrophobicContact CD1-CG 3.39Å; P682-Q687 HydrophobicContact CB-CB 3.88Å; S684-Q687 PolarHBondContact O-N 3.14Å; S684-Q687 VanDerWaalsContact O-N 3.16Å; S684-Q687 WeakPolarHBondContact OG-CB 3.32Å; S684-Q687 PolarHBondContact OG-N 3.07Å; G685-Q687 VanDerWaalsContact C-N 3.3Å; G685-Q687 PolarHBondContact O-N 3.08Å; Q687-Y690 PolarHBondContact O-N 2.92Å; Q687-A691 VanDerWaalsContact O-CB 3.23Å; Q687-A691 WeakPolarHBondContact O-CB 3.45Å; Q687-A691 PolarHBondContact O-N 3.2Å; Q687-V865 PolarHBondContact NE2-O 3.43Å |
| 688 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S684 G685 A691 G692 G835 I837 | S684-G688 PolarHBondContact O-N 2.96Å; G685-G688 CarbonylContact O-C 3.6Å; G685-G688 WeakPolarHBondContact O-CA 3.07Å; G685-G688 PolarHBondContact O-N 3.22Å; G688-A691 PolarHBondContact O-N 2.94Å; G688-G692 PolarHBondContact O-N 3.13Å; G688-G835 WeakPolarHBondContact CA-O 3.5Å; G688-I837 WeakPolarHBondContact O-CG2 3.3Å |
| 689 | E | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 1% | 0.014 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -57.6 | -53 | 170.9 | -65.2 | 165 | -152.6 | 0 | 0 | 112.1 | G685 A686 A691 G692 L693 T720 N721 S724 M763 Y792 H816 | G685-E689 PolarHBondContact O-N 3.41Å; A686-E689 PolarHBondContact O-N 2.73Å; E689-A691 VanDerWaalsContact C-N 3.33Å; E689-A691 PolarHBondContact O-N 3.2Å; E689-G692 PolarHBondContact O-N 3.25Å; E689-L693 VanDerWaalsContact O-CG 3.26Å; E689-L693 WeakPolarHBondContact O-CG 3.43Å; E689-L693 PolarHBondContact O-N 3.05Å; E689-T720 VanDerWaalsContact OE1-CB 3.26Å; E689-T720 WeakPolarHBondContact OE1-CB 3.25Å; E689-T720 PolarHBondContact OE1-OG1 3.37Å; E689-T720 WeakPolarHBondContact OE2-CB 3.19Å; E689-T720 VanDerWaalsContact OE2-O 3.13Å; E689-T720 PolarHBondContact OE2-OG1 3.49Å; E689-N721 WeakPolarHBondContact OE2-CA 3.29Å; E689-N721 PolarHBondContact OE2-N 2.76Å; E689-S724 WeakPolarHBondContact CB-OG 3.34Å; E689-S724 WeakPolarHBondContact OE2-CB 3.4Å; E689-S724 PolarHBondContact OE2-OG 2.97Å; E689-M763 HydrophobicContact CB-CE 4.07Å; E689-M763 HydrophobicContact CG-CE 4.05Å; E689-Y792 WeakPolarHBondContact CA-OH 3.41Å; E689-Y792 HydrophobicContact CG-CE1 4.02Å; E689-Y792 WeakPolarHBondContact CG-OH 3.39Å; E689-Y792 PolarHBondContact N-OH 3.05Å; E689-H816 IonicContact OE1-CE1 3.26Å |
| 690 | Y | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 177.1 | 176.4 | -117.2 | 0 | 0 | 0 | 111.7 | T302 R303 T306 A686 Q687 G692 L693 L694 M727 A728 V865 | T302-Y690 PolarHBondContact O-OH 3.38Å; R303-Y690 VanDerWaalsContact NH1-CZ 3.35Å; T306-Y690 HydrophobicContact CG2-CE2 4.2Å; A686-Y690 PolarHBondContact O-N 3.23Å; Q687-Y690 PolarHBondContact O-N 2.92Å; Y690-G692 PolarHBondContact O-N 2.89Å; Y690-L693 PolarHBondContact O-N 2.84Å; Y690-L694 HydrophobicContact CD1-CD1 4.11Å; Y690-L694 HydrophobicContact CD2-CG 4.4Å; Y690-L694 HydrophobicContact CE1-CD1 3.58Å; Y690-L694 HydrophobicContact CE1-CG 4.33Å; Y690-L694 HydrophobicContact CE2-CD1 4.15Å; Y690-L694 HydrophobicContact CE2-CD2 3.92Å; Y690-L694 HydrophobicContact CE2-CG 4.05Å; Y690-L694 WeakPolarHBondContact O-CG 3.14Å; Y690-L694 PolarHBondContact O-N 3.1Å; Y690-M727 HydrophobicContact CD2-CB 4.35Å; Y690-M727 HydrophobicContact CD2-CG 3.71Å; Y690-M727 HydrophobicContact CE2-CG 3.79Å; Y690-M727 HydrophobicContact CG-CG 4.43Å; Y690-A728 HydrophobicContact CD2-CB 4.24Å; Y690-A728 HydrophobicContact CE2-CB 4.36Å; Y690-V865 HydrophobicContact CD1-CB 4.3Å; Y690-V865 HydrophobicContact CD1-CG1 3.84Å; Y690-V865 HydrophobicContact CE1-CB 4.42Å; Y690-V865 HydrophobicContact CE1-CG1 3.8Å |
| 691 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P682 Q687 G688 E689 L694 A695 I837 P848 V865 | P682-A691 HydrophobicContact CB-CB 4.48Å; P682-A691 HydrophobicContact CG-CB 3.67Å; Q687-A691 VanDerWaalsContact O-CB 3.23Å; Q687-A691 WeakPolarHBondContact O-CB 3.45Å; Q687-A691 PolarHBondContact O-N 3.2Å; G688-A691 PolarHBondContact O-N 2.94Å; E689-A691 VanDerWaalsContact C-N 3.33Å; E689-A691 PolarHBondContact O-N 3.2Å; A691-L694 PolarHBondContact O-N 2.95Å; A691-A695 PolarHBondContact O-N 2.9Å; A691-I837 HydrophobicContact CB-CD1 3.97Å; A691-I837 HydrophobicContact CB-CG2 4.46Å; A691-P848 HydrophobicContact CB-CG 3.69Å; A691-V865 HydrophobicContact CB-CG1 4.28Å; A691-V865 HydrophobicContact CB-CG2 4.23Å |
| 692 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G688 E689 Y690 A695 I696 | G688-G692 PolarHBondContact O-N 3.13Å; E689-G692 PolarHBondContact O-N 3.25Å; Y690-G692 PolarHBondContact O-N 2.89Å; G692-A695 PolarHBondContact O-N 3.49Å; G692-I696 WeakPolarHBondContact O-CG1 3.19Å; G692-I696 PolarHBondContact O-N 3.24Å |
| 693 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.8 | -34 | 175 | -64.8 | 178.6 | 0 | 0 | 0 | 112.5 | E689 Y690 I696 R697 A725 A728 M730 M763 Y792 | E689-L693 VanDerWaalsContact O-CG 3.26Å; E689-L693 WeakPolarHBondContact O-CG 3.43Å; E689-L693 PolarHBondContact O-N 3.05Å; Y690-L693 PolarHBondContact O-N 2.84Å; L693-I696 HydrophobicContact CD2-CD1 4.35Å; L693-I696 PolarHBondContact O-N 3.1Å; L693-R697 WeakPolarHBondContact O-CB 3.32Å; L693-R697 PolarHBondContact O-N 3.23Å; L693-A725 HydrophobicContact CD1-CB 4.04Å; L693-A728 HydrophobicContact CB-CB 3.89Å; L693-A728 HydrophobicContact CD1-CB 4.32Å; L693-M730 HydrophobicContact CB-CE 3.96Å; L693-M730 HydrophobicContact CB-SD 4.36Å; L693-M730 HydrophobicContact CD1-SD 4.42Å; L693-M730 HydrophobicContact CD2-CE 4.26Å; L693-M730 HydrophobicContact CD2-SD 4.06Å; L693-M730 WeakPolarHBondContact O-CE 3.39Å; L693-M763 HydrophobicContact CD1-CE 4.08Å; L693-M763 HydrophobicContact CD1-SD 3.83Å; L693-M763 HydrophobicContact CD2-CE 4.49Å; L693-M763 HydrophobicContact CD2-CG 4.15Å; L693-M763 HydrophobicContact CD2-SD 4.12Å; L693-M763 HydrophobicContact CG-CE 4.45Å; L693-M763 HydrophobicContact CG-SD 4.44Å; L693-Y792 HydrophobicContact CD2-CD2 4.41Å |
| 694 | L | 97.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 170 | -68 | 179.3 | 0 | 0 | 0 | 111.9 | T302 T306 Y690 A691 I696 R697 H698 V865 | T302-L694 HydrophobicContact CG2-CD1 3.8Å; T306-L694 HydrophobicContact CG2-CD2 3.37Å; Y690-L694 HydrophobicContact CD1-CD1 4.11Å; Y690-L694 HydrophobicContact CD2-CG 4.4Å; Y690-L694 HydrophobicContact CE1-CD1 3.58Å; Y690-L694 HydrophobicContact CE1-CG 4.33Å; Y690-L694 HydrophobicContact CE2-CD1 4.15Å; Y690-L694 HydrophobicContact CE2-CD2 3.92Å; Y690-L694 HydrophobicContact CE2-CG 4.05Å; Y690-L694 WeakPolarHBondContact O-CG 3.14Å; Y690-L694 PolarHBondContact O-N 3.1Å; A691-L694 PolarHBondContact O-N 2.95Å; L694-I696 VanDerWaalsContact C-N 3.3Å; L694-I696 PolarHBondContact O-N 3.45Å; L694-R697 PolarHBondContact O-N 2.99Å; L694-R697 VanDerWaalsContact O-N 3.16Å; L694-H698 PolarHBondContact O-CD2 3.47Å; L694-H698 PolarHBondContact O-N 3.04Å; L694-V865 HydrophobicContact CD1-CG1 3.74Å |
| 695 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A691 G692 Y699 F846 V847 | A691-A695 PolarHBondContact O-N 2.9Å; G692-A695 PolarHBondContact O-N 3.49Å; A695-Y699 VanDerWaalsContact O-CB 3.26Å; A695-Y699 WeakPolarHBondContact O-CB 3.34Å; A695-Y699 PolarHBondContact O-N 3.4Å; A695-F846 WeakPolarHBondContact CA-O 3.5Å; A695-F846 HydrophobicContact CB-CB 4.32Å; A695-F846 WeakPolarHBondContact O-CB 3.42Å; A695-V847 HydrophobicContact CB-CG1 4.35Å |
| 696 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 173.7 | -71 | 168.3 | 0 | 0 | 0 | 111.1 | G692 L693 L694 Y699 H700 C761 Q790 V814 L843 | G692-I696 WeakPolarHBondContact O-CG1 3.19Å; G692-I696 PolarHBondContact O-N 3.24Å; L693-I696 HydrophobicContact CD2-CD1 4.35Å; L693-I696 PolarHBondContact O-N 3.1Å; L694-I696 VanDerWaalsContact C-N 3.3Å; L694-I696 PolarHBondContact O-N 3.45Å; I696-Y699 WeakPolarHBondContact O-CB 3.13Å; I696-Y699 PolarHBondContact O-N 3.44Å; I696-H700 PolarHBondContact O-CD2 3.35Å; I696-H700 VanDerWaalsContact O-CD2 3.23Å; I696-H700 PolarHBondContact O-N 2.7Å; I696-C761 HydrophobicContact CD1-CB 3.96Å; I696-C761 HydrophobicContact CG2-CB 4.16Å; I696-Q790 HydrophobicContact CD1-CB 3.87Å; I696-Q790 HydrophobicContact CG1-CB 3.83Å; I696-Q790 HydrophobicContact CG1-CG 4.24Å; I696-Q790 HydrophobicContact CG2-CB 3.95Å; I696-Q790 HydrophobicContact CG2-CG 4Å; I696-V814 HydrophobicContact CD1-CG1 3.66Å; I696-V814 HydrophobicContact CG1-CG1 4.08Å; I696-L843 HydrophobicContact CG1-CD1 4.13Å |
| 697 | R | 97 | Very high | 97.5 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | 179.2 | 174.3 | 176 | 169.2 | 165.5 | -8.1 | 111.6 | L693 L694 Y699 H700 E701 A728 M730 | L693-R697 WeakPolarHBondContact O-CB 3.32Å; L693-R697 PolarHBondContact O-N 3.23Å; L694-R697 PolarHBondContact O-N 2.99Å; L694-R697 VanDerWaalsContact O-N 3.16Å; R697-Y699 VanDerWaalsContact C-N 3.28Å; R697-Y699 PolarHBondContact O-N 2.94Å; R697-H700 PolarHBondContact O-N 3.14Å; R697-H700 VanDerWaalsContact O-N 3.15Å; R697-E701 HydrophobicContact CG-CG 4.44Å; R697-E701 WeakPolarHBondContact CG-OE1 3.3Å; R697-E701 IonicContact CZ-OE1 2.85Å; R697-E701 IonicContact NE-OE1 2.77Å; R697-E701 PolarHBondContact NE-OE1 2.96Å; R697-E701 IonicContact NH2-OE1 3.41Å; R697-E701 WeakPolarHBondContact O-CG 3.4Å; R697-E701 PolarHBondContact O-N 3Å; R697-A728 PolarHBondContact NH1-O 3.35Å; R697-A728 VanDerWaalsContact NH1-O 3.08Å; R697-M730 HydrophobicContact CB-CE 4.32Å |
| 698 | H | 96.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 12% | 0.12 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -32.9 | 179.5 | -67.6 | -33 | 0 | 0 | 0 | 112.3 | L694 E701 S702 F846 Q862 | L694-H698 PolarHBondContact O-CD2 3.47Å; L694-H698 PolarHBondContact O-N 3.04Å; H698-E701 IonicContact CE1-OE2 3.91Å; H698-E701 IonicContact CG-OE2 3.68Å; H698-E701 IonicContact ND1-OE2 3.57Å; H698-E701 PolarHBondContact ND1-OE2 3.21Å; H698-E701 PolarHBondContact O-N 2.79Å; H698-S702 WeakPolarHBondContact O-CB 3.39Å; H698-S702 PolarHBondContact O-N 3.36Å; H698-F846 HydrophobicContact CB-CB 4.02Å; H698-F846 HydrophobicContact CB-CD1 3.88Å; H698-F846 HydrophobicContact CB-CG 4.29Å; H698-Q862 PolarHBondContact CD2-OE1 2.9Å |
| 699 | Y | 97.7 | Very high | 97.4 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 170.6 | 172.3 | -110 | 0 | 0 | 0 | 111.9 | A695 I696 R697 S702 R703 Q790 H842 L843 F846 | A695-Y699 VanDerWaalsContact O-CB 3.26Å; A695-Y699 WeakPolarHBondContact O-CB 3.34Å; A695-Y699 PolarHBondContact O-N 3.4Å; I696-Y699 WeakPolarHBondContact O-CB 3.13Å; I696-Y699 PolarHBondContact O-N 3.44Å; R697-Y699 VanDerWaalsContact C-N 3.28Å; R697-Y699 PolarHBondContact O-N 2.94Å; Y699-S702 PolarHBondContact O-N 3.38Å; Y699-S702 PolarHBondContact O-OG 3.1Å; Y699-R703 VanDerWaalsContact CE1-NE 3.27Å; Y699-R703 VanDerWaalsContact CE1-NH2 3.34Å; Y699-R703 VanDerWaalsContact CZ-CZ 3.47Å; Y699-R703 VanDerWaalsContact CZ-NE 3.29Å; Y699-R703 PolarHBondContact O-N 2.96Å; Y699-R703 PolarHBondContact OH-NH1 3.24Å; Y699-Q790 HydrophobicContact CD1-CG 4.25Å; Y699-Q790 HydrophobicContact CE1-CG 4.43Å; Y699-H842 AromaticContact CE1-CD2 3.93Å; Y699-H842 HydrophobicContact CE2-CB 4.14Å; Y699-H842 AromaticContact CE2-CD2 3.74Å; Y699-H842 AromaticContact CZ-CD2 3.62Å; Y699-L843 VanDerWaalsContact CB-CD2 3.5Å; Y699-L843 HydrophobicContact CD1-CD2 3.94Å; Y699-L843 HydrophobicContact CD2-CD2 4.24Å; Y699-L843 HydrophobicContact CG-CD2 3.63Å; Y699-F846 HydrophobicContact CD2-CD2 4.13Å; Y699-F846 AromaticContact CD2-CE2 3.7Å; Y699-F846 HydrophobicContact CD2-CE2 3.7Å; Y699-F846 HydrophobicContact CD2-CZ 4.4Å; Y699-F846 HydrophobicContact CG-CE2 4.45Å |
| 700 | H | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 175.1 | -70.5 | -46.4 | 0 | 0 | 0 | 112.2 | I696 R697 S702 R703 N704 E705 S760 G788 | I696-H700 PolarHBondContact O-CD2 3.35Å; I696-H700 VanDerWaalsContact O-CD2 3.23Å; I696-H700 PolarHBondContact O-N 2.7Å; R697-H700 PolarHBondContact O-N 3.14Å; R697-H700 VanDerWaalsContact O-N 3.15Å; H700-S702 VanDerWaalsContact C-N 3.31Å; H700-S702 PolarHBondContact O-N 2.75Å; H700-R703 PolarHBondContact CE1-NH2 2.91Å; H700-R703 VanDerWaalsContact CE1-NH2 3.3Å; H700-R703 PolarHBondContact ND1-NH2 2.97Å; H700-R703 PolarHBondContact O-N 3Å; H700-R703 VanDerWaalsContact O-N 3.1Å; H700-N704 PolarHBondContact O-N 3.41Å; H700-E705 HydrophobicContact CB-CB 4.44Å; H700-E705 CarbonylContact O-C 3.55Å; H700-E705 WeakPolarHBondContact O-CA 3.48Å; H700-E705 PolarHBondContact O-N 3.32Å; H700-S760 PolarHBondContact CD2-OG 2.91Å; H700-S760 PolarHBondContact NE2-O 3.41Å; H700-G788 PolarHBondContact CE1-O 3.47Å |
| 701 | E | 95.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 175.7 | -72 | 166.9 | 172.8 | 0 | 0 | 111.7 | R697 H698 R703 N704 | R697-E701 HydrophobicContact CG-CG 4.44Å; R697-E701 WeakPolarHBondContact CG-OE1 3.3Å; R697-E701 IonicContact CZ-OE1 2.85Å; R697-E701 IonicContact NE-OE1 2.77Å; R697-E701 PolarHBondContact NE-OE1 2.96Å; R697-E701 IonicContact NH2-OE1 3.41Å; R697-E701 WeakPolarHBondContact O-CG 3.4Å; R697-E701 PolarHBondContact O-N 3Å; H698-E701 IonicContact CE1-OE2 3.91Å; H698-E701 IonicContact CG-OE2 3.68Å; H698-E701 IonicContact ND1-OE2 3.57Å; H698-E701 PolarHBondContact ND1-OE2 3.21Å; H698-E701 PolarHBondContact O-N 2.79Å; E701-R703 PolarHBondContact O-N 2.95Å; E701-R703 VanDerWaalsContact O-N 3.14Å; E701-N704 PolarHBondContact O-N 2.65Å |
| 702 | S | 96.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.1 | -22.6 | 178.7 | 81.8 | 0 | 0 | 0 | 0 | 113.9 | H698 Y699 H700 F846 | H698-S702 WeakPolarHBondContact O-CB 3.39Å; H698-S702 PolarHBondContact O-N 3.36Å; Y699-S702 PolarHBondContact O-N 3.38Å; Y699-S702 PolarHBondContact O-OG 3.1Å; H700-S702 VanDerWaalsContact C-N 3.31Å; H700-S702 PolarHBondContact O-N 2.75Å; S702-F846 VanDerWaalsContact OG-CZ 3.3Å; S702-F846 WeakPolarHBondContact OG-CZ 3.48Å |
| 703 | R | 97.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 7.9 | 177.5 | -60.3 | -175.5 | -60.4 | 151.7 | 10.4 | 112.9 | Y699 H700 E701 E705 | Y699-R703 VanDerWaalsContact CE1-NE 3.27Å; Y699-R703 VanDerWaalsContact CE1-NH2 3.34Å; Y699-R703 VanDerWaalsContact CZ-CZ 3.47Å; Y699-R703 VanDerWaalsContact CZ-NE 3.29Å; Y699-R703 PolarHBondContact O-N 2.96Å; Y699-R703 PolarHBondContact OH-NH1 3.24Å; H700-R703 PolarHBondContact CE1-NH2 2.91Å; H700-R703 VanDerWaalsContact CE1-NH2 3.3Å; H700-R703 PolarHBondContact ND1-NH2 2.97Å; H700-R703 PolarHBondContact O-N 3Å; H700-R703 VanDerWaalsContact O-N 3.1Å; E701-R703 PolarHBondContact O-N 2.95Å; E701-R703 VanDerWaalsContact O-N 3.14Å; R703-E705 HydrophobicContact CB-CG 4.29Å; R703-E705 IonicContact CZ-OE2 3Å; R703-E705 IonicContact NE-OE2 3.5Å; R703-E705 IonicContact NH1-OE2 3.09Å; R703-E705 IonicContact NH2-OE2 2.78Å; R703-E705 PolarHBondContact NH2-OE2 3.43Å; R703-E705 PolarHBondContact O-N 3.2Å |
| 704 | N | 97.1 | Very high | 97.3 | Very high | 150 Ų | 150 | 36.9 Ų | 36.9 | 80% | 0.802 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 26.3 | -171 | -52.3 | -74 | 0 | 0 | 0 | 113.6 | H700 E701 | H700-N704 PolarHBondContact O-N 3.41Å; E701-N704 PolarHBondContact O-N 2.65Å |
| 705 | E | 97.5 | Very high | 97.2 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | trans | -109.7 | 25.2 | 178.1 | -59.4 | -166.9 | 131.1 | 0 | 0 | 112.1 | H700 R703 H707 R708 | H700-E705 HydrophobicContact CB-CB 4.44Å; H700-E705 CarbonylContact O-C 3.55Å; H700-E705 WeakPolarHBondContact O-CA 3.48Å; H700-E705 PolarHBondContact O-N 3.32Å; R703-E705 HydrophobicContact CB-CG 4.29Å; R703-E705 IonicContact CZ-OE2 3Å; R703-E705 IonicContact NE-OE2 3.5Å; R703-E705 IonicContact NH1-OE2 3.09Å; R703-E705 IonicContact NH2-OE2 2.78Å; R703-E705 PolarHBondContact NH2-OE2 3.43Å; R703-E705 PolarHBondContact O-N 3.2Å; E705-H707 PolarHBondContact O-N 3.35Å; E705-R708 HydrophobicContact CB-CG 4.3Å; E705-R708 VanDerWaalsContact O-CB 3.32Å; E705-R708 WeakPolarHBondContact O-CB 3.33Å; E705-R708 WeakPolarHBondContact O-CG 3.28Å; E705-R708 PolarHBondContact O-N 2.54Å; E705-R708 IonicContact OE1-CZ 3.84Å; E705-R708 IonicContact OE1-NE 3.32Å; E705-R708 PolarHBondContact OE1-NE 3.05Å; E705-R708 IonicContact OE1-NH2 3.65Å; E705-R708 PolarHBondContact OE1-NH2 3.28Å; E705-R708 IonicContact OE2-CZ 3.47Å; E705-R708 IonicContact OE2-NE 3.9Å; E705-R708 PolarHBondContact OE2-NE 3.42Å; E705-R708 IonicContact OE2-NH2 2.68Å | ||
| 706 | G | 94.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -3.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R708 | G706-R708 VanDerWaalsContact C-N 3.25Š|
| 707 | H | 96.8 | Very high | 96.5 | Very high | 96 Ų | 96 | 39.7 Ų | 39.7 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.6 | 169.3 | 61 | -86.3 | 0 | 0 | 0 | 112.9 | E705 D709 D757 | E705-H707 PolarHBondContact O-N 3.35Å; H707-D709 PolarHBondContact O-N 3.32Å; H707-D757 PolarHBondContact CD2-O 3.28Å; H707-D757 PolarHBondContact NE2-O 2.95Å |
| 708 | R | 98.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | trans | -71.6 | 90.8 | 174.8 | -71.2 | 177.1 | -175 | -69.5 | -8.7 | 111 | E705 G706 D757 N758 L759 S760 F787 | E705-R708 HydrophobicContact CB-CG 4.3Å; E705-R708 VanDerWaalsContact O-CB 3.32Å; E705-R708 WeakPolarHBondContact O-CB 3.33Å; E705-R708 WeakPolarHBondContact O-CG 3.28Å; E705-R708 PolarHBondContact O-N 2.54Å; E705-R708 IonicContact OE1-CZ 3.84Å; E705-R708 IonicContact OE1-NE 3.32Å; E705-R708 PolarHBondContact OE1-NE 3.05Å; E705-R708 IonicContact OE1-NH2 3.65Å; E705-R708 PolarHBondContact OE1-NH2 3.28Å; E705-R708 IonicContact OE2-CZ 3.47Å; E705-R708 IonicContact OE2-NE 3.9Å; E705-R708 PolarHBondContact OE2-NE 3.42Å; E705-R708 IonicContact OE2-NH2 2.68Å; G706-R708 VanDerWaalsContact C-N 3.25Å; R708-D757 WeakPolarHBondContact CG-O 3.31Å; R708-D757 PolarHBondContact NH1-O 3.47Å; R708-N758 CarbonylContact C-O 3.42Å; R708-N758 WeakPolarHBondContact CA-O 3.46Å; R708-L759 WeakPolarHBondContact CD-O 3.3Å; R708-L759 WeakPolarHBondContact CG-O 3.32Å; R708-L759 PolarHBondContact NH1-O 2.92Å; R708-S760 WeakPolarHBondContact O-CB 3.44Å; R708-S760 PolarHBondContact O-OG 2.96Å; R708-F787 PolarHBondContact NH1-O 2.83Å | ||
| 709 | D | 97.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | trans | -118.6 | -2 | -175.8 | 74.2 | -12.4 | 0 | 0 | 0 | 114.6 | H707 M730 Q731 N758 | H707-D709 PolarHBondContact O-N 3.32Å; D709-M730 CarbonylContact O-C 3.54Å; D709-M730 VanDerWaalsContact O-CA 3.26Å; D709-M730 WeakPolarHBondContact O-CA 3.47Å; D709-M730 VanDerWaalsContact O-CB 3.31Å; D709-M730 WeakPolarHBondContact O-CB 3.37Å; D709-Q731 PolarHBondContact O-N 3.32Å; D709-Q731 PolarHBondContact OD2-NE2 3.41Å; D709-N758 PolarHBondContact N-O 2.98Å; D709-N758 VanDerWaalsContact N-O 3.16Å | ||
| 710 | I | 98.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.5 | 178.1 | -69.6 | 171.3 | 0 | 0 | 0 | 110.8 | L712 Q731 V733 A755 N758 L759 S760 C761 | I710-L712 HydrophobicContact CG2-CD2 4.06Å; I710-Q731 HydrophobicContact CG1-CB 4.36Å; I710-V733 HydrophobicContact CG2-CB 4.25Å; I710-V733 HydrophobicContact CG2-CG2 3.79Å; I710-A755 HydrophobicContact CB-CB 4.29Å; I710-A755 HydrophobicContact CD1-CB 3.84Å; I710-A755 HydrophobicContact CG2-CB 3.96Å; I710-N758 HydrophobicContact CD1-CB 3.98Å; I710-N758 HydrophobicContact CG1-CB 4.42Å; I710-N758 PolarHBondContact N-O 3.01Å; I710-L759 HydrophobicContact CG2-CD1 4.4Å; I710-S760 WeakPolarHBondContact O-CA 3.31Å; I710-S760 WeakPolarHBondContact O-CB 3.45Å; I710-S760 PolarHBondContact O-N 3.42Å; I710-C761 PolarHBondContact O-N 2.82Å |
| 711 | C | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.1 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | A725 M730 Q731 V733 C761 | C711-A725 HydrophobicContact CB-CB 4.15Å; C711-M730 HydrophobicContact CB-CB 3.98Å; C711-M730 HydrophobicContact CB-SD 3.98Å; C711-Q731 PolarHBondContact N-O 3.1Å; C711-V733 PolarHBondContact O-N 2.99Å; C711-C761 CarbonylContact C-O 3.56Å; C711-C761 WeakPolarHBondContact CA-O 3.46Å |
| 712 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.6 | 173.5 | -58.4 | -177.1 | 0 | 0 | 0 | 109.8 | I710 V733 V735 L748 K751 A752 L759 C761 I762 M763 | I710-L712 HydrophobicContact CG2-CD2 4.06Å; L712-V733 WeakPolarHBondContact CA-O 3.4Å; L712-V733 HydrophobicContact CD2-CB 3.88Å; L712-V733 HydrophobicContact CD2-CG1 3.95Å; L712-V735 HydrophobicContact CB-CG2 3.97Å; L712-V735 HydrophobicContact CD2-CG2 4.46Å; L712-L748 HydrophobicContact CD1-CD1 3.79Å; L712-K751 HydrophobicContact CD2-CB 4.11Å; L712-A752 HydrophobicContact CD1-CB 4.26Å; L712-L759 HydrophobicContact CD1-CD1 3.73Å; L712-L759 HydrophobicContact CD2-CD1 4.35Å; L712-L759 HydrophobicContact CG-CD1 3.63Å; L712-C761 PolarHBondContact N-O 2.9Å; L712-I762 HydrophobicContact CB-CB 4.12Å; L712-I762 HydrophobicContact CB-CD1 4.35Å; L712-I762 HydrophobicContact CB-CG1 3.84Å; L712-I762 CarbonylContact O-C 3.59Å; L712-I762 VanDerWaalsContact O-CA 3.29Å; L712-I762 WeakPolarHBondContact O-CA 3.3Å; L712-I762 WeakPolarHBondContact O-CG1 3.4Å; L712-M763 PolarHBondContact O-N 3.44Å |
| 713 | I | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 120 | -179.4 | -56.6 | -172.7 | 0 | 0 | 0 | 109.8 | A717 N721 P722 A725 V732 V733 V734 V735 M763 | I713-A717 HydrophobicContact CG2-CB 3.56Å; I713-N721 HydrophobicContact CD1-CB 4.47Å; I713-N721 HydrophobicContact CG2-CB 4.36Å; I713-P722 VanDerWaalsContact CD1-CA 3.48Å; I713-P722 HydrophobicContact CD1-CB 3.94Å; I713-A725 HydrophobicContact CD1-CB 3.98Å; I713-V732 HydrophobicContact CB-CG1 4.37Å; I713-V732 HydrophobicContact CD1-CG1 3.86Å; I713-V732 HydrophobicContact CD1-CG2 4.05Å; I713-V732 HydrophobicContact CG1-CG1 4.21Å; I713-V733 PolarHBondContact N-O 3.47Å; I713-V734 CarbonylContact O-C 3.59Å; I713-V734 VanDerWaalsContact O-CA 3.25Å; I713-V734 WeakPolarHBondContact O-CA 3.33Å; I713-V735 PolarHBondContact O-N 3.41Å; I713-M763 HydrophobicContact CD1-SD 4Å; I713-M763 HydrophobicContact CG1-CB 4.29Å; I713-M763 HydrophobicContact CG1-SD 4.47Å |
| 714 | P | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 144.6 | 173.1 | -25.6 | 36 | 0 | 0 | 0 | 112.6 | S716 A717 V735 I743 M763 V764 | P714-S716 PolarHBondContact O-N 3.45Å; P714-S716 VanDerWaalsContact O-N 3.13Å; P714-A717 VanDerWaalsContact O-CB 3.29Å; P714-A717 WeakPolarHBondContact O-CB 3.41Å; P714-A717 PolarHBondContact O-N 2.88Å; P714-V735 CarbonylContact C-O 3.45Å; P714-V735 WeakPolarHBondContact CA-O 3.33Å; P714-I743 HydrophobicContact CB-CG1 4.16Å; P714-I743 HydrophobicContact CG-CD1 3.83Å; P714-I743 HydrophobicContact CG-CG1 3.86Å; P714-M763 WeakPolarHBondContact CD-O 3.15Å; P714-V764 HydrophobicContact CG-CG1 4.36Å |
| 715 | A | 93.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 18.5 Ų | 18.5 | 42% | 0.421 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | V734 V735 | A715-V734 HydrophobicContact CB-CG1 3.88Å; A715-V735 PolarHBondContact N-O 2.9Å |
| 716 | S | 90.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -16.2 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | P714 T769 | P714-S716 PolarHBondContact O-N 3.45Å; P714-S716 VanDerWaalsContact O-N 3.13Å; S716-T769 WeakPolarHBondContact CB-OG1 3.41Å; S716-T769 PolarHBondContact O-OG1 2.89Å |
| 717 | A | 90.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -59.5 | 150 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R440 I713 P714 N721 | R440-A717 PolarHBondContact NH1-O 3.42Å; R440-A717 PolarHBondContact NH2-O 3.05Å; I713-A717 HydrophobicContact CG2-CB 3.56Å; P714-A717 VanDerWaalsContact O-CB 3.29Å; P714-A717 WeakPolarHBondContact O-CB 3.41Å; P714-A717 PolarHBondContact O-N 2.88Å; A717-N721 HydrophobicContact CB-CB 4.3Å |
| 718 | H | 90.5 | Very high | 95.9 | Very high | 29 Ų | 29 | 14.5 Ų | 14.5 | 13% | 0.134 | 8% | 0.081 | C | C | . | . | trans | -57.9 | 151.7 | 175.9 | -171.4 | -99.5 | 0 | 0 | 0 | 111.3 | Q436 T720 N721 P722 F962 | Q436-H718 PolarHBondContact NE2-CE1 3.5Å; Q436-H718 PolarHBondContact OE1-CE1 3Å; H718-T720 VanDerWaalsContact CE1-CG2 3.48Å; H718-T720 WeakPolarHBondContact CE1-CG2 3.33Å; H718-T720 WeakPolarHBondContact ND1-CG2 3.5Å; H718-T720 PolarHBondContact ND1-N 2.96Å; H718-T720 PolarHBondContact ND1-OG1 3.38Å; H718-T720 PolarHBondContact O-N 3.37Å; H718-N721 PolarHBondContact O-N 3.15Å; H718-N721 PolarHBondContact O-OD1 3.26Å; H718-P722 WeakPolarHBondContact O-CD 3.29Å; H718-F962 HydrophobicContact CB-CZ 4.2Å; H718-F962 AromaticContact CD2-CE1 3.91Å; H718-F962 AromaticContact CD2-CZ 3.77Å | ||
| 719 | G | 90.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q436 P722 A723 | Q436-G719 WeakPolarHBondContact O-CA 3.44Å; G719-P722 WeakPolarHBondContact O-CD 3.46Å; G719-P722 WeakPolarHBondContact O-CG 3.49Å; G719-A723 PolarHBondContact O-N 3.35Å |
| 720 | T | 94.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.025 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | Q436 N446 C448 A686 E689 H718 A723 S724 | Q436-T720 HydrophobicContact CB-CG2 4.44Å; Q436-T720 HydrophobicContact CG-CG2 3.75Å; N446-T720 WeakPolarHBondContact O-CG2 3.43Å; C448-T720 HydrophobicContact CB-CG2 3.74Å; A686-T720 HydrophobicContact CB-CG2 4.02Å; E689-T720 VanDerWaalsContact OE1-CB 3.26Å; E689-T720 WeakPolarHBondContact OE1-CB 3.25Å; E689-T720 PolarHBondContact OE1-OG1 3.37Å; E689-T720 WeakPolarHBondContact OE2-CB 3.19Å; E689-T720 VanDerWaalsContact OE2-O 3.13Å; E689-T720 PolarHBondContact OE2-OG1 3.49Å; H718-T720 VanDerWaalsContact CE1-CG2 3.48Å; H718-T720 WeakPolarHBondContact CE1-CG2 3.33Å; H718-T720 WeakPolarHBondContact ND1-CG2 3.5Å; H718-T720 PolarHBondContact ND1-N 2.96Å; H718-T720 PolarHBondContact ND1-OG1 3.38Å; H718-T720 PolarHBondContact O-N 3.37Å; T720-A723 CarbonylContact O-C 3.58Å; T720-A723 WeakPolarHBondContact O-CA 3.48Å; T720-A723 WeakPolarHBondContact O-CB 3.47Å; T720-A723 PolarHBondContact O-N 3.42Å; T720-S724 WeakPolarHBondContact O-CB 3.37Å; T720-S724 PolarHBondContact O-N 2.98Å; T720-S724 PolarHBondContact O-OG 2.88Å |
| 721 | N | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.9 | -56.2 | -176.6 | -50.5 | 40.4 | 0 | 0 | 0 | 111.9 | E689 I713 A717 H718 A723 S724 A725 M763 D794 | E689-N721 WeakPolarHBondContact OE2-CA 3.29Å; E689-N721 PolarHBondContact OE2-N 2.76Å; I713-N721 HydrophobicContact CD1-CB 4.47Å; I713-N721 HydrophobicContact CG2-CB 4.36Å; A717-N721 HydrophobicContact CB-CB 4.3Å; H718-N721 PolarHBondContact O-N 3.15Å; H718-N721 PolarHBondContact O-OD1 3.26Å; N721-A723 VanDerWaalsContact C-N 3.33Å; N721-A723 PolarHBondContact O-N 2.84Å; N721-S724 PolarHBondContact O-N 3.29Å; N721-A725 WeakPolarHBondContact O-CB 3.45Å; N721-A725 PolarHBondContact O-N 3.29Å; N721-M763 HydrophobicContact CB-CB 4.44Å; N721-M763 HydrophobicContact CB-CE 3.72Å; N721-M763 HydrophobicContact CB-SD 3.87Å; N721-D794 PolarHBondContact ND2-OD2 2.89Å; N721-D794 PolarHBondContact OD1-OD2 2.67Å |
| 722 | P | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.2 | -30.1 | 176.8 | 28.6 | -36.1 | 0 | 0 | 0 | 113.4 | R440 E441 I713 H718 G719 H726 V732 | R440-P722 HydrophobicContact CB-CB 4.31Å; R440-P722 HydrophobicContact CB-CG 3.63Å; R440-P722 HydrophobicContact CG-CG 4.21Å; E441-P722 HydrophobicContact CB-CB 3.99Å; I713-P722 VanDerWaalsContact CD1-CA 3.48Å; I713-P722 HydrophobicContact CD1-CB 3.94Å; H718-P722 WeakPolarHBondContact O-CD 3.29Å; G719-P722 WeakPolarHBondContact O-CD 3.46Å; G719-P722 WeakPolarHBondContact O-CG 3.49Å; P722-H726 WeakPolarHBondContact O-CB 3.5Å; P722-H726 PolarHBondContact O-N 3.37Å; P722-V732 HydrophobicContact CB-CG1 4.23Å; P722-V732 HydrophobicContact CB-CG2 4.32Å |
| 723 | A | 96.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 5% | 0.05 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.6 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q436 N446 G719 T720 N721 H726 M727 | Q436-A723 HydrophobicContact CB-CB 4.39Å; N446-A723 HydrophobicContact CB-CB 3.73Å; G719-A723 PolarHBondContact O-N 3.35Å; T720-A723 CarbonylContact O-C 3.58Å; T720-A723 WeakPolarHBondContact O-CA 3.48Å; T720-A723 WeakPolarHBondContact O-CB 3.47Å; T720-A723 PolarHBondContact O-N 3.42Å; N721-A723 VanDerWaalsContact C-N 3.33Å; N721-A723 PolarHBondContact O-N 2.84Å; A723-H726 PolarHBondContact O-N 3.33Å; A723-M727 WeakPolarHBondContact O-CB 3.37Å; A723-M727 PolarHBondContact O-N 3.31Å |
| 724 | S | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.6 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | N446 A686 E689 T720 N721 M727 A728 | N446-S724 PolarHBondContact ND2-OG 3.39Å; A686-S724 PolarHBondContact O-OG 3.25Å; E689-S724 WeakPolarHBondContact CB-OG 3.34Å; E689-S724 WeakPolarHBondContact OE2-CB 3.4Å; E689-S724 PolarHBondContact OE2-OG 2.97Å; T720-S724 WeakPolarHBondContact O-CB 3.37Å; T720-S724 PolarHBondContact O-N 2.98Å; T720-S724 PolarHBondContact O-OG 2.88Å; N721-S724 PolarHBondContact O-N 3.29Å; S724-M727 WeakPolarHBondContact O-CB 3.29Å; S724-M727 PolarHBondContact O-N 3.29Å; S724-A728 WeakPolarHBondContact O-CB 3.43Å; S724-A728 PolarHBondContact O-N 3.39Å |
| 725 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L693 C711 I713 N721 M727 A728 G729 M730 V732 M763 | L693-A725 HydrophobicContact CD1-CB 4.04Å; C711-A725 HydrophobicContact CB-CB 4.15Å; I713-A725 HydrophobicContact CD1-CB 3.98Å; N721-A725 WeakPolarHBondContact O-CB 3.45Å; N721-A725 PolarHBondContact O-N 3.29Å; A725-M727 VanDerWaalsContact C-N 3.31Å; A725-M727 PolarHBondContact O-N 2.81Å; A725-A728 PolarHBondContact O-N 3.47Å; A725-G729 PolarHBondContact O-N 3.48Å; A725-M730 HydrophobicContact CB-CB 4.4Å; A725-M730 WeakPolarHBondContact O-CB 3.31Å; A725-M730 PolarHBondContact O-N 3.2Å; A725-V732 HydrophobicContact CB-CG2 3.79Å; A725-M763 HydrophobicContact CB-SD 4.26Å |
| 726 | H | 96.2 | Very high | 95.8 | Very high | 92 Ų | 92 | 23.6 Ų | 23.6 | 43% | 0.426 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.2 | -176.1 | 54.2 | 0 | 0 | 0 | 112 | E441 P722 A723 A728 G729 | E441-H726 HydrophobicContact CB-CB 4.21Å; E441-H726 PolarHBondContact O-CD2 2.67Å; P722-H726 WeakPolarHBondContact O-CB 3.5Å; P722-H726 PolarHBondContact O-N 3.37Å; A723-H726 PolarHBondContact O-N 3.33Å; H726-A728 VanDerWaalsContact C-N 3.31Å; H726-A728 PolarHBondContact O-N 2.87Å; H726-G729 PolarHBondContact O-N 3.48Å |
| 727 | M | 96.6 | Very high | 96 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 5% | 0.054 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -34.4 | 176.2 | 178.4 | 103.7 | 74.8 | 0 | 0 | 113 | R303 T306 F307 N446 Y690 A723 S724 A725 G729 | R303-M727 PolarHBondContact NH1-SD 2.88Å; T306-M727 VanDerWaalsContact CB-O 3.29Å; T306-M727 WeakPolarHBondContact CB-O 3.41Å; T306-M727 PolarHBondContact OG1-O 3.16Å; F307-M727 HydrophobicContact CZ-CG 4.41Å; F307-M727 HydrophobicContact CZ-SD 3.8Å; N446-M727 HydrophobicContact CB-CE 3.82Å; N446-M727 WeakPolarHBondContact OD1-CE 3.4Å; Y690-M727 HydrophobicContact CD2-CB 4.35Å; Y690-M727 HydrophobicContact CD2-CG 3.71Å; Y690-M727 HydrophobicContact CE2-CG 3.79Å; Y690-M727 HydrophobicContact CG-CG 4.43Å; A723-M727 WeakPolarHBondContact O-CB 3.37Å; A723-M727 PolarHBondContact O-N 3.31Å; S724-M727 WeakPolarHBondContact O-CB 3.29Å; S724-M727 PolarHBondContact O-N 3.29Å; A725-M727 VanDerWaalsContact C-N 3.31Å; A725-M727 PolarHBondContact O-N 2.81Å; M727-G729 PolarHBondContact O-N 2.84Å |
| 728 | A | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -0.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y690 L693 R697 S724 A725 H726 M730 | Y690-A728 HydrophobicContact CD2-CB 4.24Å; Y690-A728 HydrophobicContact CE2-CB 4.36Å; L693-A728 HydrophobicContact CB-CB 3.89Å; L693-A728 HydrophobicContact CD1-CB 4.32Å; R697-A728 PolarHBondContact NH1-O 3.35Å; R697-A728 VanDerWaalsContact NH1-O 3.08Å; S724-A728 WeakPolarHBondContact O-CB 3.43Å; S724-A728 PolarHBondContact O-N 3.39Å; A725-A728 PolarHBondContact O-N 3.47Å; H726-A728 VanDerWaalsContact C-N 3.31Å; H726-A728 PolarHBondContact O-N 2.87Å; A728-M730 HydrophobicContact CB-CG 4.41Å |
| 729 | G | 95.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 18.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T306 A725 H726 M727 | T306-G729 WeakPolarHBondContact O-CA 3.31Å; A725-G729 PolarHBondContact O-N 3.48Å; H726-G729 PolarHBondContact O-N 3.48Å; M727-G729 PolarHBondContact O-N 2.84Å |
| 730 | M | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | trans | -92.6 | 152 | -178.7 | -61.6 | 177.2 | 177 | 0 | 0 | 112.4 | L693 R697 D709 C711 A725 A728 | L693-M730 HydrophobicContact CB-CE 3.96Å; L693-M730 HydrophobicContact CB-SD 4.36Å; L693-M730 HydrophobicContact CD1-SD 4.42Å; L693-M730 HydrophobicContact CD2-CE 4.26Å; L693-M730 HydrophobicContact CD2-SD 4.06Å; L693-M730 WeakPolarHBondContact O-CE 3.39Å; R697-M730 HydrophobicContact CB-CE 4.32Å; D709-M730 CarbonylContact O-C 3.54Å; D709-M730 VanDerWaalsContact O-CA 3.26Å; D709-M730 WeakPolarHBondContact O-CA 3.47Å; D709-M730 VanDerWaalsContact O-CB 3.31Å; D709-M730 WeakPolarHBondContact O-CB 3.37Å; C711-M730 HydrophobicContact CB-CB 3.98Å; C711-M730 HydrophobicContact CB-SD 3.98Å; A725-M730 HydrophobicContact CB-CB 4.4Å; A725-M730 WeakPolarHBondContact O-CB 3.31Å; A725-M730 PolarHBondContact O-N 3.2Å; A728-M730 HydrophobicContact CB-CG 4.41Å | ||
| 731 | Q | 97.4 | Very high | 96 | Very high | 111 Ų | 111 | 38.7 Ų | 38.7 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 114.7 | 172.2 | -59.7 | -174.5 | 31.1 | 0 | 0 | 110 | D709 I710 C711 | D709-Q731 PolarHBondContact O-N 3.32Å; D709-Q731 PolarHBondContact OD2-NE2 3.41Å; I710-Q731 HydrophobicContact CG1-CB 4.36Å; C711-Q731 PolarHBondContact N-O 3.1Å |
| 732 | V | 97.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 123.6 | 179.4 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | E441 I713 P722 A725 | E441-V732 HydrophobicContact CB-CG2 4.33Å; I713-V732 HydrophobicContact CB-CG1 4.37Å; I713-V732 HydrophobicContact CD1-CG1 3.86Å; I713-V732 HydrophobicContact CD1-CG2 4.05Å; I713-V732 HydrophobicContact CG1-CG1 4.21Å; P722-V732 HydrophobicContact CB-CG1 4.23Å; P722-V732 HydrophobicContact CB-CG2 4.32Å; A725-V732 HydrophobicContact CB-CG2 3.79Å |
| 733 | V | 98 | Very high | 95.8 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114.2 | 170.7 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | I710 C711 L712 I713 K751 | I710-V733 HydrophobicContact CG2-CB 4.25Å; I710-V733 HydrophobicContact CG2-CG2 3.79Å; C711-V733 PolarHBondContact O-N 2.99Å; L712-V733 WeakPolarHBondContact CA-O 3.4Å; L712-V733 HydrophobicContact CD2-CB 3.88Å; L712-V733 HydrophobicContact CD2-CG1 3.95Å; I713-V733 PolarHBondContact N-O 3.47Å; V733-K751 HydrophobicContact CG1-CB 4.43Å; V733-K751 HydrophobicContact CG1-CD 3.96Å; V733-K751 HydrophobicContact CG1-CG 4.14Å |
| 734 | V | 97.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131.4 | -177.5 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | I713 A715 K751 | I713-V734 CarbonylContact O-C 3.59Å; I713-V734 VanDerWaalsContact O-CA 3.25Å; I713-V734 WeakPolarHBondContact O-CA 3.33Å; A715-V734 HydrophobicContact CB-CG1 3.88Å; V734-K751 WeakPolarHBondContact O-CD 3.45Å; V734-K751 WeakPolarHBondContact O-CE 3.49Å; V734-K751 PolarHBondContact O-NZ 2.92Å |
| 735 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.1 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | L712 I713 P714 A715 I743 D747 L748 K751 | L712-V735 HydrophobicContact CB-CG2 3.97Å; L712-V735 HydrophobicContact CD2-CG2 4.46Å; I713-V735 PolarHBondContact O-N 3.41Å; P714-V735 CarbonylContact C-O 3.45Å; P714-V735 WeakPolarHBondContact CA-O 3.33Å; A715-V735 PolarHBondContact N-O 2.9Å; V735-I743 HydrophobicContact CG1-CG2 3.98Å; V735-D747 WeakPolarHBondContact CA-OD2 3.34Å; V735-L748 HydrophobicContact CG1-CB 3.98Å; V735-L748 HydrophobicContact CG1-CD1 4.47Å; V735-L748 HydrophobicContact CG2-CD1 4.19Å; V735-K751 HydrophobicContact CG2-CD 4.16Å |
| 736 | A | 97.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 28% | 0.281 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -69 | 156.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D744 D747 | A736-D744 HydrophobicContact CB-CB 4.2Å; A736-D744 WeakPolarHBondContact O-CB 3.49Å; A736-D744 PolarHBondContact O-N 3.38Å; A736-D747 HydrophobicContact CB-CB 4.19Å; A736-D747 WeakPolarHBondContact CB-OD2 3.33Å; A736-D747 PolarHBondContact N-OD2 3.17Å |
| 737 | C | 94.7 | Very high | 95.8 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 25% | 0.25 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -103.1 | 144.4 | 163.8 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | N742 | C737-N742 CarbonylContact C-O 3.48Å; C737-N742 WeakPolarHBondContact CA-O 3.04Å; C737-N742 WeakPolarHBondContact CB-O 3.36Å |
| 738 | D | 93.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | trans | -71.1 | 176.8 | 173.8 | 77.7 | 8.1 | 0 | 0 | 0 | 111.5 | N740 G741 N742 | D738-N740 PolarHBondContact O-N 3.03Å; D738-N740 VanDerWaalsContact O-N 3.16Å; D738-N740 VanDerWaalsContact OD1-C 3.27Å; D738-N740 VanDerWaalsContact OD1-CA 3.27Å; D738-N740 WeakPolarHBondContact OD1-CA 3.14Å; D738-N740 WeakPolarHBondContact OD1-CB 3.49Å; D738-N740 PolarHBondContact OD1-N 2.87Å; D738-G741 PolarHBondContact O-N 3.36Å; D738-G741 PolarHBondContact OD1-N 3.28Å; D738-N742 PolarHBondContact N-O 2.95Å; D738-N742 PolarHBondContact OD1-N 3.07Å; D738-N742 PolarHBondContact OD2-ND2 3.05Å | ||
| 739 | K | 91.6 | Very high | 95.9 | Very high | 191 Ų | 191 | 50.8 Ų | 50.8 | 83% | 0.83 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.2 | 178.9 | 64.3 | 176 | -176.9 | 175.5 | 0 | 114.3 | ||
| 740 | N | 90.8 | Very high | 96 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2.2 | 178.3 | -59.5 | -28.7 | 0 | 0 | 0 | 111.6 | D738 Y917 | D738-N740 PolarHBondContact O-N 3.03Å; D738-N740 VanDerWaalsContact O-N 3.16Å; D738-N740 VanDerWaalsContact OD1-C 3.27Å; D738-N740 VanDerWaalsContact OD1-CA 3.27Å; D738-N740 WeakPolarHBondContact OD1-CA 3.14Å; D738-N740 WeakPolarHBondContact OD1-CB 3.49Å; D738-N740 PolarHBondContact OD1-N 2.87Å; N740-Y917 VanDerWaalsContact C-CD1 3.47Å; N740-Y917 WeakPolarHBondContact O-CD1 3.5Å |
| 741 | G | 90.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 84.5 | 4.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D738 H770 | D738-G741 PolarHBondContact O-N 3.36Å; D738-G741 PolarHBondContact OD1-N 3.28Å; G741-H770 WeakPolarHBondContact CA-ND1 3.28Å; G741-H770 PolarHBondContact O-CE1 2.83Å; G741-H770 PolarHBondContact O-ND1 3.25Å |
| 742 | N | 93.9 | Very high | 96.1 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -82.5 | 164.4 | 176.7 | -52.2 | -58.5 | 0 | 0 | 0 | 110.8 | C737 D738 D744 E774 | C737-N742 CarbonylContact C-O 3.48Å; C737-N742 WeakPolarHBondContact CA-O 3.04Å; C737-N742 WeakPolarHBondContact CB-O 3.36Å; D738-N742 PolarHBondContact N-O 2.95Å; D738-N742 PolarHBondContact OD1-N 3.07Å; D738-N742 PolarHBondContact OD2-ND2 3.05Å; N742-D744 PolarHBondContact O-N 3.16Å; N742-E774 HydrophobicContact CB-CG 4.3Å |
| 743 | I | 95.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -61 | 125.3 | 169.4 | -63.5 | 168.7 | 0 | 0 | 0 | 108.8 | P714 V735 L745 L748 V764 E774 V780 | P714-I743 HydrophobicContact CB-CG1 4.16Å; P714-I743 HydrophobicContact CG-CD1 3.83Å; P714-I743 HydrophobicContact CG-CG1 3.86Å; V735-I743 HydrophobicContact CG1-CG2 3.98Å; I743-L745 PolarHBondContact O-N 2.68Å; I743-L748 HydrophobicContact CG2-CB 4.44Å; I743-L748 HydrophobicContact CG2-CD2 4.38Å; I743-V764 HydrophobicContact CD1-CB 4.43Å; I743-V764 HydrophobicContact CD1-CG1 3.78Å; I743-E774 WeakPolarHBondContact CB-OE2 3.44Å; I743-E774 WeakPolarHBondContact CG1-OE2 3.32Å; I743-E774 PolarHBondContact N-OE2 3.42Å; I743-V780 HydrophobicContact CD1-CG1 4.46Å; I743-V780 HydrophobicContact CD1-CG2 4.38Å; I743-V780 HydrophobicContact CG2-CG2 4.42Å |
| 744 | D | 97.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | trans | -72.1 | 101.5 | 175.6 | -175.9 | -22.5 | 0 | 0 | 0 | 109.6 | A736 N742 T746 D747 L748 | A736-D744 HydrophobicContact CB-CB 4.2Å; A736-D744 WeakPolarHBondContact O-CB 3.49Å; A736-D744 PolarHBondContact O-N 3.38Å; N742-D744 PolarHBondContact O-N 3.16Å; D744-T746 PolarHBondContact O-N 3.04Å; D744-T746 WeakPolarHBondContact OD1-CA 3.47Å; D744-T746 VanDerWaalsContact OD1-CB 3.3Å; D744-T746 WeakPolarHBondContact OD1-CB 3.21Å; D744-T746 PolarHBondContact OD1-N 3.2Å; D744-D747 HydrophobicContact CB-CB 3.97Å; D744-D747 PolarHBondContact O-N 3.04Å; D744-D747 PolarHBondContact OD1-N 3.19Å; D744-D747 VanDerWaalsContact OD1-N 3.14Å; D744-L748 WeakPolarHBondContact O-CB 3.49Å; D744-L748 PolarHBondContact O-N 3.42Å | ||
| 745 | L | 96 | Very high | 96.1 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -30.6 | 179.2 | -75.2 | -179.7 | 0 | 0 | 0 | 113.5 | I743 L748 R749 T776 E779 V780 | I743-L745 PolarHBondContact O-N 2.68Å; L745-L748 HydrophobicContact CD2-CD2 4.13Å; L745-R749 WeakPolarHBondContact O-CB 3.38Å; L745-R749 VanDerWaalsContact O-CG 3.26Å; L745-R749 WeakPolarHBondContact O-CG 3.35Å; L745-R749 PolarHBondContact O-N 2.7Å; L745-T776 HydrophobicContact CD1-CG2 3.62Å; L745-T776 HydrophobicContact CG-CG2 4.49Å; L745-E779 HydrophobicContact CD1-CG 4.45Å; L745-E779 WeakPolarHBondContact CD1-OE2 3.4Å; L745-E779 HydrophobicContact CD2-CG 4.46Å; L745-V780 HydrophobicContact CD2-CG2 3.66Å |
| 746 | T | 97.2 | Very high | 96 | Very high | 112 Ų | 112 | 56.5 Ų | 56.5 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.5 | -47.3 | 179.6 | -56 | 0 | 0 | 0 | 0 | 109.5 | D744 R749 A750 | D744-T746 PolarHBondContact O-N 3.04Å; D744-T746 WeakPolarHBondContact OD1-CA 3.47Å; D744-T746 VanDerWaalsContact OD1-CB 3.3Å; D744-T746 WeakPolarHBondContact OD1-CB 3.21Å; D744-T746 PolarHBondContact OD1-N 3.2Å; T746-R749 PolarHBondContact O-N 3.25Å; T746-A750 WeakPolarHBondContact O-CB 3.26Å; T746-A750 PolarHBondContact O-N 2.9Å |
| 747 | D | 98 | Very high | 96 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 176.4 | -178.7 | 68.1 | 0 | 0 | 0 | 112.1 | V735 A736 D744 A750 K751 | V735-D747 WeakPolarHBondContact CA-OD2 3.34Å; A736-D747 HydrophobicContact CB-CB 4.19Å; A736-D747 WeakPolarHBondContact CB-OD2 3.33Å; A736-D747 PolarHBondContact N-OD2 3.17Å; D744-D747 HydrophobicContact CB-CB 3.97Å; D744-D747 PolarHBondContact O-N 3.04Å; D744-D747 PolarHBondContact OD1-N 3.19Å; D744-D747 VanDerWaalsContact OD1-N 3.14Å; D747-A750 PolarHBondContact O-N 3.5Å; D747-K751 WeakPolarHBondContact O-CB 3.26Å; D747-K751 WeakPolarHBondContact O-CG 3.47Å; D747-K751 PolarHBondContact O-N 3.4Å; D747-K751 WeakPolarHBondContact OD1-CE 3.43Å; D747-K751 IonicContact OD1-NZ 3.35Å; D747-K751 PolarHBondContact OD1-NZ 3.37Å; D747-K751 WeakPolarHBondContact OD2-CD 3.45Å; D747-K751 WeakPolarHBondContact OD2-CE 3.34Å; D747-K751 IonicContact OD2-NZ 2.77Å; D747-K751 PolarHBondContact OD2-NZ 2.98Å |
| 748 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.3 | -51.5 | 173.3 | 173.9 | 63.2 | 0 | 0 | 0 | 111.3 | L712 V735 I743 D744 L745 A750 K751 A752 I762 V780 V783 | L712-L748 HydrophobicContact CD1-CD1 3.79Å; V735-L748 HydrophobicContact CG1-CB 3.98Å; V735-L748 HydrophobicContact CG1-CD1 4.47Å; V735-L748 HydrophobicContact CG2-CD1 4.19Å; I743-L748 HydrophobicContact CG2-CB 4.44Å; I743-L748 HydrophobicContact CG2-CD2 4.38Å; D744-L748 WeakPolarHBondContact O-CB 3.49Å; D744-L748 PolarHBondContact O-N 3.42Å; L745-L748 HydrophobicContact CD2-CD2 4.13Å; L748-A750 VanDerWaalsContact C-N 3.34Å; L748-A750 PolarHBondContact O-N 2.95Å; L748-K751 PolarHBondContact O-N 2.63Å; L748-A752 VanDerWaalsContact O-CB 3.31Å; L748-A752 WeakPolarHBondContact O-CB 3.3Å; L748-A752 PolarHBondContact O-N 3.48Å; L748-I762 HydrophobicContact CD1-CD1 3.73Å; L748-V780 HydrophobicContact CD2-CB 4.07Å; L748-V780 HydrophobicContact CD2-CG1 3.79Å; L748-V780 HydrophobicContact CD2-CG2 3.87Å; L748-V783 HydrophobicContact CD2-CG1 4.4Å; L748-V783 HydrophobicContact CG-CG1 4.23Å |
| 749 | R | 98.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 179.8 | -75.2 | 176.9 | 179.5 | -72.2 | -2.5 | 111.3 | L745 T746 K751 A752 E753 E779 V783 | L745-R749 WeakPolarHBondContact O-CB 3.38Å; L745-R749 VanDerWaalsContact O-CG 3.26Å; L745-R749 WeakPolarHBondContact O-CG 3.35Å; L745-R749 PolarHBondContact O-N 2.7Å; T746-R749 PolarHBondContact O-N 3.25Å; R749-K751 PolarHBondContact O-N 3.21Å; R749-A752 PolarHBondContact O-N 3.37Å; R749-E753 WeakPolarHBondContact O-CB 3.3Å; R749-E753 PolarHBondContact O-N 2.93Å; R749-E779 IonicContact CZ-OE1 3.15Å; R749-E779 IonicContact NE-OE1 2.63Å; R749-E779 IonicContact NH2-OE1 2.73Å; R749-E779 PolarHBondContact NH2-OE1 3.35Å; R749-V783 HydrophobicContact CG-CG1 4.16Å; R749-V783 HydrophobicContact CG-CG2 4.01Å; R749-V783 VanDerWaalsContact NH1-CG2 3.28Å |
| 750 | A | 98.2 | Very high | 96.7 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T746 D747 L748 Q754 | T746-A750 WeakPolarHBondContact O-CB 3.26Å; T746-A750 PolarHBondContact O-N 2.9Å; D747-A750 PolarHBondContact O-N 3.5Å; L748-A750 VanDerWaalsContact C-N 3.34Å; L748-A750 PolarHBondContact O-N 2.95Å; A750-Q754 VanDerWaalsContact O-CB 3.3Å; A750-Q754 WeakPolarHBondContact O-CB 3.48Å; A750-Q754 PolarHBondContact O-N 2.72Å |
| 751 | K | 98.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.4 | -36.8 | 178.6 | -77.4 | 168.2 | 176 | 157 | 0 | 113 | L712 V733 V734 V735 D747 L748 R749 Q754 A755 | L712-K751 HydrophobicContact CD2-CB 4.11Å; V733-K751 HydrophobicContact CG1-CB 4.43Å; V733-K751 HydrophobicContact CG1-CD 3.96Å; V733-K751 HydrophobicContact CG1-CG 4.14Å; V734-K751 WeakPolarHBondContact O-CD 3.45Å; V734-K751 WeakPolarHBondContact O-CE 3.49Å; V734-K751 PolarHBondContact O-NZ 2.92Å; V735-K751 HydrophobicContact CG2-CD 4.16Å; D747-K751 WeakPolarHBondContact O-CB 3.26Å; D747-K751 WeakPolarHBondContact O-CG 3.47Å; D747-K751 PolarHBondContact O-N 3.4Å; D747-K751 WeakPolarHBondContact OD1-CE 3.43Å; D747-K751 IonicContact OD1-NZ 3.35Å; D747-K751 PolarHBondContact OD1-NZ 3.37Å; D747-K751 WeakPolarHBondContact OD2-CD 3.45Å; D747-K751 WeakPolarHBondContact OD2-CE 3.34Å; D747-K751 IonicContact OD2-NZ 2.77Å; D747-K751 PolarHBondContact OD2-NZ 2.98Å; L748-K751 PolarHBondContact O-N 2.63Å; R749-K751 PolarHBondContact O-N 3.21Å; K751-Q754 PolarHBondContact O-N 2.79Å; K751-A755 WeakPolarHBondContact O-CB 3.31Å; K751-A755 PolarHBondContact O-N 2.92Å |
| 752 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L712 L748 R749 A755 G756 L759 V783 F787 | L712-A752 HydrophobicContact CD1-CB 4.26Å; L748-A752 VanDerWaalsContact O-CB 3.31Å; L748-A752 WeakPolarHBondContact O-CB 3.3Å; L748-A752 PolarHBondContact O-N 3.48Å; R749-A752 PolarHBondContact O-N 3.37Å; A752-A755 PolarHBondContact O-N 3.41Å; A752-G756 PolarHBondContact O-N 3.29Å; A752-L759 HydrophobicContact CB-CD2 4.37Å; A752-V783 HydrophobicContact CB-CG1 3.98Å; A752-F787 HydrophobicContact CB-CD2 3.69Å; A752-F787 HydrophobicContact CB-CE2 3.94Å; A752-F787 HydrophobicContact CB-CG 4.34Å |
| 753 | E | 97.9 | Very high | 97.7 | Very high | 144 Ų | 144 | 45 Ų | 45 | 67% | 0.673 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.2 | -42.3 | 174.3 | -175.1 | 175.7 | -165.1 | 0 | 0 | 112 | R749 G756 F787 | R749-E753 WeakPolarHBondContact O-CB 3.3Å; R749-E753 PolarHBondContact O-N 2.93Å; E753-G756 PolarHBondContact O-N 2.98Å; E753-F787 HydrophobicContact CB-CE1 4.22Å; E753-F787 HydrophobicContact CB-CZ 3.96Å; E753-F787 HydrophobicContact CG-CZ 4.5Å |
| 754 | Q | 97.7 | Very high | 97.8 | Very high | 166 Ų | 166 | 44.7 Ų | 44.7 | 78% | 0.776 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.1 | -38.9 | 176 | -176.9 | -177.2 | -12.8 | 0 | 0 | 112.5 | A750 K751 | A750-Q754 VanDerWaalsContact O-CB 3.3Å; A750-Q754 WeakPolarHBondContact O-CB 3.48Å; A750-Q754 PolarHBondContact O-N 2.72Å; K751-Q754 PolarHBondContact O-N 2.79Å |
| 755 | A | 97.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I710 K751 A752 D757 N758 L759 | I710-A755 HydrophobicContact CB-CB 4.29Å; I710-A755 HydrophobicContact CD1-CB 3.84Å; I710-A755 HydrophobicContact CG2-CB 3.96Å; K751-A755 WeakPolarHBondContact O-CB 3.31Å; K751-A755 PolarHBondContact O-N 2.92Å; A752-A755 PolarHBondContact O-N 3.41Å; A755-D757 PolarHBondContact O-N 2.91Å; A755-N758 WeakPolarHBondContact O-CB 3.22Å; A755-N758 PolarHBondContact O-N 2.91Å; A755-N758 PolarHBondContact O-ND2 3.22Å; A755-L759 HydrophobicContact CB-CB 3.96Å; A755-L759 HydrophobicContact CB-CD1 4.22Å |
| 756 | G | 96.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | 53.6 | -129.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A752 E753 N758 L759 | A752-G756 PolarHBondContact O-N 3.29Å; E753-G756 PolarHBondContact O-N 2.98Å; G756-N758 PolarHBondContact O-N 2.89Å; G756-N758 VanDerWaalsContact O-N 3.08Å; G756-L759 WeakPolarHBondContact O-CB 3.48Å; G756-L759 PolarHBondContact O-N 3.37Å; G756-L759 VanDerWaalsContact O-N 3.1Å |
| 757 | D | 95.9 | Very high | 97.8 | Very high | 116 Ų | 116 | 36.1 Ų | 36.1 | 62% | 0.62 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -66 | -8.7 | 179.5 | -63 | -32.2 | 0 | 0 | 0 | 114 | H707 R708 A755 | H707-D757 PolarHBondContact CD2-O 3.28Å; H707-D757 PolarHBondContact NE2-O 2.95Å; R708-D757 WeakPolarHBondContact CG-O 3.31Å; R708-D757 PolarHBondContact NH1-O 3.47Å; A755-D757 PolarHBondContact O-N 2.91Å |
| 758 | N | 98.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -92.3 | -2.3 | 175.6 | -54.6 | -62.1 | 0 | 0 | 0 | 112.9 | R708 D709 I710 A755 G756 S760 | R708-N758 CarbonylContact C-O 3.42Å; R708-N758 WeakPolarHBondContact CA-O 3.46Å; D709-N758 PolarHBondContact N-O 2.98Å; D709-N758 VanDerWaalsContact N-O 3.16Å; I710-N758 HydrophobicContact CD1-CB 3.98Å; I710-N758 HydrophobicContact CG1-CB 4.42Å; I710-N758 PolarHBondContact N-O 3.01Å; A755-N758 WeakPolarHBondContact O-CB 3.22Å; A755-N758 PolarHBondContact O-N 2.91Å; A755-N758 PolarHBondContact O-ND2 3.22Å; G756-N758 PolarHBondContact O-N 2.89Å; G756-N758 VanDerWaalsContact O-N 3.08Å; N758-S760 PolarHBondContact O-N 3.46Å |
| 759 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 117.2 | 179 | -177.4 | 63 | 0 | 0 | 0 | 110.6 | R708 I710 L712 A752 A755 G756 V784 F787 | R708-L759 WeakPolarHBondContact CD-O 3.3Å; R708-L759 WeakPolarHBondContact CG-O 3.32Å; R708-L759 PolarHBondContact NH1-O 2.92Å; I710-L759 HydrophobicContact CG2-CD1 4.4Å; L712-L759 HydrophobicContact CD1-CD1 3.73Å; L712-L759 HydrophobicContact CD2-CD1 4.35Å; L712-L759 HydrophobicContact CG-CD1 3.63Å; A752-L759 HydrophobicContact CB-CD2 4.37Å; A755-L759 HydrophobicContact CB-CB 3.96Å; A755-L759 HydrophobicContact CB-CD1 4.22Å; G756-L759 WeakPolarHBondContact O-CB 3.48Å; G756-L759 PolarHBondContact O-N 3.37Å; G756-L759 VanDerWaalsContact O-N 3.1Å; L759-V784 HydrophobicContact CD2-CG1 4.23Å; L759-F787 HydrophobicContact CD2-CB 3.64Å |
| 760 | S | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -56.6 | 176.1 | -158.6 | 0 | 0 | 0 | 0 | 111.3 | H700 R708 I710 N758 G789 Q790 | H700-S760 PolarHBondContact CD2-OG 2.91Å; H700-S760 PolarHBondContact NE2-O 3.41Å; R708-S760 WeakPolarHBondContact O-CB 3.44Å; R708-S760 PolarHBondContact O-OG 2.96Å; I710-S760 WeakPolarHBondContact O-CA 3.31Å; I710-S760 WeakPolarHBondContact O-CB 3.45Å; I710-S760 PolarHBondContact O-N 3.42Å; N758-S760 PolarHBondContact O-N 3.46Å; S760-G789 CarbonylContact O-C 3.48Å; S760-G789 VanDerWaalsContact O-CA 3.3Å; S760-G789 WeakPolarHBondContact O-CA 3.23Å; S760-Q790 PolarHBondContact O-N 3.41Å |
| 761 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 172.3 | -176.8 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | I696 I710 C711 L712 Q790 | I696-C761 HydrophobicContact CD1-CB 3.96Å; I696-C761 HydrophobicContact CG2-CB 4.16Å; I710-C761 PolarHBondContact O-N 2.82Å; C711-C761 CarbonylContact C-O 3.56Å; C711-C761 WeakPolarHBondContact CA-O 3.46Å; L712-C761 PolarHBondContact N-O 2.9Å; C761-Q790 CarbonylContact C-O 3.57Å; C761-Q790 WeakPolarHBondContact CA-O 3.33Å; C761-Q790 HydrophobicContact CB-CB 4.29Å; C761-Q790 WeakPolarHBondContact CB-O 3.21Å |
| 762 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.5 | 158.6 | -166.6 | 170 | 0 | 0 | 0 | 109.5 | L712 L748 V764 V780 V784 Q790 V791 Y792 | L712-I762 HydrophobicContact CB-CB 4.12Å; L712-I762 HydrophobicContact CB-CD1 4.35Å; L712-I762 HydrophobicContact CB-CG1 3.84Å; L712-I762 CarbonylContact O-C 3.59Å; L712-I762 VanDerWaalsContact O-CA 3.29Å; L712-I762 WeakPolarHBondContact O-CA 3.3Å; L712-I762 WeakPolarHBondContact O-CG1 3.4Å; L748-I762 HydrophobicContact CD1-CD1 3.73Å; I762-V764 HydrophobicContact CD1-CG1 3.58Å; I762-V764 HydrophobicContact CG1-CG1 3.76Å; I762-V764 HydrophobicContact CG2-CG1 4.21Å; I762-V780 HydrophobicContact CD1-CG1 3.8Å; I762-V784 HydrophobicContact CB-CG1 4.39Å; I762-V784 HydrophobicContact CB-CG2 3.81Å; I762-V784 HydrophobicContact CD1-CG2 4.24Å; I762-V784 HydrophobicContact CG2-CB 4.22Å; I762-V784 HydrophobicContact CG2-CG1 4.08Å; I762-V784 HydrophobicContact CG2-CG2 3.68Å; I762-Q790 PolarHBondContact N-O 3.34Å; I762-V791 HydrophobicContact CG2-CB 4.3Å; I762-V791 HydrophobicContact CG2-CG1 4.05Å; I762-V791 HydrophobicContact CG2-CG2 4.11Å; I762-Y792 WeakPolarHBondContact O-CB 3.37Å; I762-Y792 PolarHBondContact O-N 2.83Å |
| 763 | M | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.4 | 163.8 | -60.9 | -179.1 | 81.4 | 0 | 0 | 109.6 | E689 L693 L712 I713 P714 N721 A725 Y792 | E689-M763 HydrophobicContact CB-CE 4.07Å; E689-M763 HydrophobicContact CG-CE 4.05Å; L693-M763 HydrophobicContact CD1-CE 4.08Å; L693-M763 HydrophobicContact CD1-SD 3.83Å; L693-M763 HydrophobicContact CD2-CE 4.49Å; L693-M763 HydrophobicContact CD2-CG 4.15Å; L693-M763 HydrophobicContact CD2-SD 4.12Å; L693-M763 HydrophobicContact CG-CE 4.45Å; L693-M763 HydrophobicContact CG-SD 4.44Å; L712-M763 PolarHBondContact O-N 3.44Å; I713-M763 HydrophobicContact CD1-SD 4Å; I713-M763 HydrophobicContact CG1-CB 4.29Å; I713-M763 HydrophobicContact CG1-SD 4.47Å; P714-M763 WeakPolarHBondContact CD-O 3.15Å; N721-M763 HydrophobicContact CB-CB 4.44Å; N721-M763 HydrophobicContact CB-CE 3.72Å; N721-M763 HydrophobicContact CB-SD 3.87Å; A725-M763 HydrophobicContact CB-SD 4.26Å; M763-Y792 CarbonylContact C-O 3.36Å; M763-Y792 WeakPolarHBondContact CA-O 3.25Å; M763-Y792 HydrophobicContact CB-CD1 4.19Å; M763-Y792 HydrophobicContact CE-CD1 3.62Å; M763-Y792 HydrophobicContact CE-CE1 3.64Å; M763-Y792 HydrophobicContact CE-CG 4.24Å; M763-Y792 HydrophobicContact CG-CD1 3.98Å; M763-Y792 HydrophobicContact CG-CG 4.21Å |
| 764 | V | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 156.5 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | P714 I743 I762 I777 V780 V791 Y792 L793 D794 | P714-V764 HydrophobicContact CG-CG1 4.36Å; I743-V764 HydrophobicContact CD1-CB 4.43Å; I743-V764 HydrophobicContact CD1-CG1 3.78Å; I762-V764 HydrophobicContact CD1-CG1 3.58Å; I762-V764 HydrophobicContact CG1-CG1 3.76Å; I762-V764 HydrophobicContact CG2-CG1 4.21Å; V764-I777 HydrophobicContact CG2-CD1 4.16Å; V764-V780 HydrophobicContact CG1-CG1 4.02Å; V764-V791 HydrophobicContact CG2-CG1 4.27Å; V764-Y792 PolarHBondContact N-O 2.92Å; V764-L793 HydrophobicContact CG2-CB 4.26Å; V764-L793 HydrophobicContact CG2-CG 4.32Å; V764-L793 CarbonylContact O-C 3.49Å; V764-L793 WeakPolarHBondContact O-CA 3.13Å; V764-D794 WeakPolarHBondContact O-CB 3.29Å; V764-D794 PolarHBondContact O-N 3.13Å |
| 765 | T | 97.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 17.3 Ų | 17.3 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134 | 171.1 | -51.2 | 0 | 0 | 0 | 0 | 108 | P767 S768 T769 D794 N797 | T765-P767 CarbonylContact C-O 3.58Å; T765-P767 CarbonylContact O-C 3.26Å; T765-S768 WeakPolarHBondContact O-CA 3.16Å; T765-S768 PolarHBondContact O-N 3.16Å; T765-T769 HydrophobicContact CG2-CG2 4.1Å; T765-D794 HydrophobicContact CG2-CB 4.21Å; T765-N797 HydrophobicContact CG2-CB 4.38Å |
| 766 | Y | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -134.9 | 132.2 | 179.6 | -159.8 | -102.6 | 0 | 0 | 0 | 112.2 | I163 Y773 E774 I777 Q801 I810 | I163-Y766 HydrophobicContact CD1-CE1 3.46Å; I163-Y766 VanDerWaalsContact CD1-CE1 3.46Å; I163-Y766 WeakPolarHBondContact CD1-OH 3.35Å; Y766-Y773 AromaticContact CE1-CD1 3.66Å; Y766-Y773 HydrophobicContact CE1-CD1 3.66Å; Y766-Y773 HydrophobicContact CE1-CE1 4.2Å; Y766-Y773 AromaticContact CZ-CD1 3.73Å; Y766-E774 HydrophobicContact CE2-CB 4.24Å; Y766-E774 PolarHBondContact OH-O 3.47Å; Y766-I777 HydrophobicContact CD2-CB 3.93Å; Y766-I777 HydrophobicContact CD2-CD1 3.96Å; Y766-I777 HydrophobicContact CD2-CG1 3.66Å; Y766-I777 HydrophobicContact CD2-CG2 4.28Å; Y766-I777 HydrophobicContact CE1-CG2 4.44Å; Y766-I777 HydrophobicContact CE2-CB 3.61Å; Y766-I777 HydrophobicContact CE2-CD1 4.5Å; Y766-I777 HydrophobicContact CE2-CG1 3.88Å; Y766-I777 HydrophobicContact CE2-CG2 3.64Å; Y766-I777 HydrophobicContact CG-CG1 4.18Å; Y766-Q801 PolarHBondContact O-NE2 3.44Å; Y766-I810 HydrophobicContact CD1-CD1 3.62Å; Y766-I810 HydrophobicContact CE1-CD1 3.82Å; Y766-I810 HydrophobicContact CG-CD1 4.45Å |
| 767 | P | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | cis | -49.7 | 157.7 | -22.2 | 28 | -37.3 | 0 | 0 | 0 | 110.7 | T765 V772 Y773 N797 A800 A925 | T765-P767 CarbonylContact C-O 3.58Å; T765-P767 CarbonylContact O-C 3.26Å; P767-V772 VanDerWaalsContact CB-O 3.25Å; P767-V772 WeakPolarHBondContact CB-O 3.41Å; P767-Y773 HydrophobicContact CB-CD1 4.25Å; P767-Y773 HydrophobicContact CB-CE1 4.38Å; P767-Y773 HydrophobicContact CB-CG 4.41Å; P767-N797 HydrophobicContact CG-CB 4.13Å; P767-N797 PolarHBondContact O-ND2 2.75Å; P767-A800 HydrophobicContact CG-CB 3.66Å; P767-A925 HydrophobicContact CB-CB 3.79Å; P767-A925 HydrophobicContact CG-CB 3.72Å |
| 768 | S | 95.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | trans | -60.8 | 164.3 | -172.7 | 74 | 0 | 0 | 0 | 0 | 111.6 | T765 H770 G771 V772 E774 N797 | T765-S768 WeakPolarHBondContact O-CA 3.16Å; T765-S768 PolarHBondContact O-N 3.16Å; S768-H770 PolarHBondContact O-N 3.43Å; S768-H770 PolarHBondContact OG-N 3.05Å; S768-G771 PolarHBondContact O-N 3.06Å; S768-V772 PolarHBondContact N-O 3.01Å; S768-V772 VanDerWaalsContact OG-CG2 3.23Å; S768-V772 WeakPolarHBondContact OG-CG2 3.18Å; S768-E774 WeakPolarHBondContact CB-OE1 3.38Å; S768-N797 PolarHBondContact O-ND2 2.91Å | ||
| 769 | T | 92.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.1 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | S716 T765 G771 P963 | S716-T769 WeakPolarHBondContact CB-OG1 3.41Å; S716-T769 PolarHBondContact O-OG1 2.89Å; T765-T769 HydrophobicContact CG2-CG2 4.1Å; T769-G771 VanDerWaalsContact C-N 3.3Å; T769-P963 WeakPolarHBondContact O-CG 3.3Å |
| 770 | H | 94.6 | Very high | 96 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.1 | 170.1 | -64.1 | 148 | 0 | 0 | 0 | 113.4 | G741 S768 V772 Y917 I929 P963 | G741-H770 WeakPolarHBondContact CA-ND1 3.28Å; G741-H770 PolarHBondContact O-CE1 2.83Å; G741-H770 PolarHBondContact O-ND1 3.25Å; S768-H770 PolarHBondContact O-N 3.43Å; S768-H770 PolarHBondContact OG-N 3.05Å; H770-V772 HydrophobicContact CB-CG2 4.22Å; H770-Y917 HydrophobicContact CB-CD2 3.58Å; H770-Y917 HydrophobicContact CB-CE2 4.26Å; H770-Y917 HydrophobicContact CB-CG 4.05Å; H770-Y917 AromaticContact CD2-CD2 3.57Å; H770-Y917 AromaticContact CD2-CE2 3.34Å; H770-Y917 WeakPolarHBondContact CD2-CE2 3.23Å; H770-Y917 AromaticContact CE1-CE2 3.86Å; H770-Y917 AromaticContact CG-CD2 3.47Å; H770-Y917 VanDerWaalsContact CG-CD2 3.47Å; H770-Y917 AromaticContact CG-CE2 3.62Å; H770-Y917 AromaticContact ND1-CE2 3.93Å; H770-Y917 AromaticContact NE2-CE2 3.53Å; H770-I929 HydrophobicContact CB-CD1 4.38Å; H770-P963 VanDerWaalsContact CD2-CG 3.42Å; H770-P963 WeakPolarHBondContact CD2-CG 3.32Å |
| 771 | G | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | 74.5 | 30.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S768 T769 A925 | S768-G771 PolarHBondContact O-N 3.06Å; T769-G771 VanDerWaalsContact C-N 3.3Å; G771-A925 WeakPolarHBondContact O-CB 3.33Å; G771-A925 PolarHBondContact O-N 3.14Å |
| 772 | V | 95.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | trans | -128.3 | 144 | -176.9 | -61 | 0 | 0 | 0 | 0 | 112.6 | P767 S768 H770 E774 | P767-V772 VanDerWaalsContact CB-O 3.25Å; P767-V772 WeakPolarHBondContact CB-O 3.41Å; S768-V772 PolarHBondContact N-O 3.01Å; S768-V772 VanDerWaalsContact OG-CG2 3.23Å; S768-V772 WeakPolarHBondContact OG-CG2 3.18Å; H770-V772 HydrophobicContact CB-CG2 4.22Å; V772-E774 PolarHBondContact O-N 2.98Å | ||
| 773 | Y | 95.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | trans | -82.5 | 108.7 | 168.3 | -68.4 | -87.3 | 0 | 0 | 0 | 109.5 | I158 V159 Y766 P767 E775 A800 I899 A925 | I158-Y773 HydrophobicContact CG2-CD2 3.45Å; I158-Y773 VanDerWaalsContact CG2-CD2 3.45Å; I158-Y773 HydrophobicContact CG2-CE2 3.62Å; V159-Y773 HydrophobicContact CG1-CD1 4.46Å; V159-Y773 HydrophobicContact CG1-CE1 4.38Å; V159-Y773 HydrophobicContact CG2-CD1 4.42Å; V159-Y773 HydrophobicContact CG2-CD2 4.4Å; V159-Y773 HydrophobicContact CG2-CE1 3.97Å; V159-Y773 HydrophobicContact CG2-CE2 3.91Å; Y766-Y773 AromaticContact CE1-CD1 3.66Å; Y766-Y773 HydrophobicContact CE1-CD1 3.66Å; Y766-Y773 HydrophobicContact CE1-CE1 4.2Å; Y766-Y773 AromaticContact CZ-CD1 3.73Å; P767-Y773 HydrophobicContact CB-CD1 4.25Å; P767-Y773 HydrophobicContact CB-CE1 4.38Å; P767-Y773 HydrophobicContact CB-CG 4.41Å; Y773-E775 PolarHBondContact O-N 3.19Å; Y773-A800 WeakPolarHBondContact OH-CB 3.23Å; Y773-A800 PolarHBondContact OH-O 3.18Å; Y773-I899 VanDerWaalsContact OH-CD1 3.3Å; Y773-I899 WeakPolarHBondContact OH-CD1 3.16Å; Y773-A925 HydrophobicContact CD2-CB 3.78Å; Y773-A925 HydrophobicContact CE2-CB 3.44Å; Y773-A925 VanDerWaalsContact CE2-CB 3.44Å | ||
| 774 | E | 92.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | trans | -70.4 | 126.3 | 173 | -57.3 | -171.7 | -136.8 | 0 | 0 | 109.7 | N742 I743 Y766 S768 V772 T776 | N742-E774 HydrophobicContact CB-CG 4.3Å; I743-E774 WeakPolarHBondContact CB-OE2 3.44Å; I743-E774 WeakPolarHBondContact CG1-OE2 3.32Å; I743-E774 PolarHBondContact N-OE2 3.42Å; Y766-E774 HydrophobicContact CE2-CB 4.24Å; Y766-E774 PolarHBondContact OH-O 3.47Å; S768-E774 WeakPolarHBondContact CB-OE1 3.38Å; V772-E774 PolarHBondContact O-N 2.98Å; E774-T776 PolarHBondContact O-N 2.84Å | ||
| 775 | E | 92.5 | Very high | 95.9 | Very high | 117 Ų | 117 | 24.5 Ų | 24.5 | 55% | 0.547 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.6 | 179.2 | -63.6 | -165.2 | 141.6 | 0 | 0 | 112.7 | P160 Y773 | P160-E775 HydrophobicContact CG-CG 4.4Å; Y773-E775 PolarHBondContact O-N 3.19Å |
| 776 | T | 93.5 | Very high | 95.9 | Very high | 41 Ų | 41 | 30.6 Ų | 30.6 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 9.3 | -171.3 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | L745 E774 R778 E779 V780 | L745-T776 HydrophobicContact CD1-CG2 3.62Å; L745-T776 HydrophobicContact CG-CG2 4.49Å; E774-T776 PolarHBondContact O-N 2.84Å; T776-R778 VanDerWaalsContact C-N 3.27Å; T776-R778 PolarHBondContact O-N 2.73Å; T776-E779 WeakPolarHBondContact O-CA 3.39Å; T776-E779 WeakPolarHBondContact O-CB 3.4Å; T776-E779 PolarHBondContact O-N 3.34Å; T776-V780 PolarHBondContact O-N 2.69Å |
| 777 | I | 95.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -34.2 | -173 | -172.9 | 60.7 | 0 | 0 | 0 | 113.7 | I163 V764 Y766 V780 C781 I810 | I163-I777 HydrophobicContact CG2-CG2 4.42Å; V764-I777 HydrophobicContact CG2-CD1 4.16Å; Y766-I777 HydrophobicContact CD2-CB 3.93Å; Y766-I777 HydrophobicContact CD2-CD1 3.96Å; Y766-I777 HydrophobicContact CD2-CG1 3.66Å; Y766-I777 HydrophobicContact CD2-CG2 4.28Å; Y766-I777 HydrophobicContact CE1-CG2 4.44Å; Y766-I777 HydrophobicContact CE2-CB 3.61Å; Y766-I777 HydrophobicContact CE2-CD1 4.5Å; Y766-I777 HydrophobicContact CE2-CG1 3.88Å; Y766-I777 HydrophobicContact CE2-CG2 3.64Å; Y766-I777 HydrophobicContact CG-CG1 4.18Å; I777-V780 WeakPolarHBondContact O-CB 3.36Å; I777-V780 PolarHBondContact O-N 3Å; I777-C781 PolarHBondContact O-N 3.39Å; I777-C781 VanDerWaalsContact O-N 3.14Å; I777-C781 PolarHBondContact O-SG 2.89Å; I777-I810 HydrophobicContact CB-CG2 4.34Å; I777-I810 HydrophobicContact CG1-CG2 3.68Å; I777-I810 HydrophobicContact CG2-CG2 3.8Å |
| 778 | R | 95.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 173.8 | -70.5 | -161.2 | 178.2 | -84.6 | 2.6 | 111.8 | D162 I163 T776 V780 C781 E782 F809 I810 | D162-R778 PolarHBondContact O-NE 2.73Å; D162-R778 PolarHBondContact O-NH2 3.28Å; D162-R778 WeakPolarHBondContact OD2-CD 3.25Å; D162-R778 IonicContact OD2-NE 3.71Å; D162-R778 PolarHBondContact OD2-NE 3.35Å; I163-R778 HydrophobicContact CG2-CG 4.04Å; T776-R778 VanDerWaalsContact C-N 3.27Å; T776-R778 PolarHBondContact O-N 2.73Å; R778-V780 VanDerWaalsContact C-N 3.26Å; R778-V780 PolarHBondContact O-N 2.9Å; R778-C781 WeakPolarHBondContact O-CB 3.39Å; R778-C781 PolarHBondContact O-N 2.81Å; R778-E782 WeakPolarHBondContact O-CG 3.25Å; R778-E782 PolarHBondContact O-N 2.91Å; R778-F809 PolarHBondContact NH1-O 3.46Å; R778-F809 VanDerWaalsContact NH2-CE1 3.3Å; R778-F809 PolarHBondContact NH2-O 2.8Å; R778-I810 PolarHBondContact NH1-O 3.45Å |
| 779 | E | 96.7 | Very high | 96 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61 | -38.2 | 176.9 | -171.7 | 179.9 | 169.5 | 0 | 0 | 110.9 | L745 R749 T776 C781 E782 V783 | L745-E779 HydrophobicContact CD1-CG 4.45Å; L745-E779 WeakPolarHBondContact CD1-OE2 3.4Å; L745-E779 HydrophobicContact CD2-CG 4.46Å; R749-E779 IonicContact CZ-OE1 3.15Å; R749-E779 IonicContact NE-OE1 2.63Å; R749-E779 IonicContact NH2-OE1 2.73Å; R749-E779 PolarHBondContact NH2-OE1 3.35Å; T776-E779 WeakPolarHBondContact O-CA 3.39Å; T776-E779 WeakPolarHBondContact O-CB 3.4Å; T776-E779 PolarHBondContact O-N 3.34Å; E779-C781 VanDerWaalsContact C-N 3.35Å; E779-C781 PolarHBondContact O-N 3.41Å; E779-E782 PolarHBondContact O-N 2.88Å; E779-V783 WeakPolarHBondContact O-CB 3.47Å; E779-V783 VanDerWaalsContact O-CG2 3.22Å; E779-V783 WeakPolarHBondContact O-CG2 3.38Å; E779-V783 PolarHBondContact O-N 2.95Å |
| 780 | V | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 172.3 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | I743 L745 L748 I762 V764 T776 I777 R778 V784 | I743-V780 HydrophobicContact CD1-CG1 4.46Å; I743-V780 HydrophobicContact CD1-CG2 4.38Å; I743-V780 HydrophobicContact CG2-CG2 4.42Å; L745-V780 HydrophobicContact CD2-CG2 3.66Å; L748-V780 HydrophobicContact CD2-CB 4.07Å; L748-V780 HydrophobicContact CD2-CG1 3.79Å; L748-V780 HydrophobicContact CD2-CG2 3.87Å; I762-V780 HydrophobicContact CD1-CG1 3.8Å; V764-V780 HydrophobicContact CG1-CG1 4.02Å; T776-V780 PolarHBondContact O-N 2.69Å; I777-V780 WeakPolarHBondContact O-CB 3.36Å; I777-V780 PolarHBondContact O-N 3Å; R778-V780 VanDerWaalsContact C-N 3.26Å; R778-V780 PolarHBondContact O-N 2.9Å; V780-V784 WeakPolarHBondContact O-CG2 3.48Å; V780-V784 PolarHBondContact O-N 2.93Å |
| 781 | C | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | I777 R778 E779 V783 V784 H785 V791 | I777-C781 PolarHBondContact O-N 3.39Å; I777-C781 VanDerWaalsContact O-N 3.14Å; I777-C781 PolarHBondContact O-SG 2.89Å; R778-C781 WeakPolarHBondContact O-CB 3.39Å; R778-C781 PolarHBondContact O-N 2.81Å; E779-C781 VanDerWaalsContact C-N 3.35Å; E779-C781 PolarHBondContact O-N 3.41Å; C781-V783 PolarHBondContact O-N 3.39Å; C781-V784 PolarHBondContact O-N 2.82Å; C781-H785 PolarHBondContact O-N 3.21Å; C781-H785 PolarHBondContact O-ND1 3.13Å; C781-V791 HydrophobicContact CB-CG2 4.04Å |
| 782 | E | 97.4 | Very high | 96.7 | Very high | 123 Ų | 123 | 34.3 Ų | 34.3 | 58% | 0.575 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -59.2 | -43.3 | 179.9 | -72.4 | 172.6 | -175.1 | 0 | 0 | 112.4 | R778 E779 V784 H785 Q786 | R778-E782 WeakPolarHBondContact O-CG 3.25Å; R778-E782 PolarHBondContact O-N 2.91Å; E779-E782 PolarHBondContact O-N 2.88Å; E782-V784 VanDerWaalsContact C-N 3.33Å; E782-V784 PolarHBondContact O-N 3.1Å; E782-H785 PolarHBondContact O-N 3.28Å; E782-Q786 VanDerWaalsContact O-CB 3.32Å; E782-Q786 WeakPolarHBondContact O-CB 3.32Å; E782-Q786 PolarHBondContact O-N 3.33Å |
| 783 | V | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 176.2 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | L748 R749 A752 E779 C781 Q786 F787 | L748-V783 HydrophobicContact CD2-CG1 4.4Å; L748-V783 HydrophobicContact CG-CG1 4.23Å; R749-V783 HydrophobicContact CG-CG1 4.16Å; R749-V783 HydrophobicContact CG-CG2 4.01Å; R749-V783 VanDerWaalsContact NH1-CG2 3.28Å; A752-V783 HydrophobicContact CB-CG1 3.98Å; E779-V783 WeakPolarHBondContact O-CB 3.47Å; E779-V783 VanDerWaalsContact O-CG2 3.22Å; E779-V783 WeakPolarHBondContact O-CG2 3.38Å; E779-V783 PolarHBondContact O-N 2.95Å; C781-V783 PolarHBondContact O-N 3.39Å; V783-Q786 WeakPolarHBondContact O-CB 3.34Å; V783-Q786 PolarHBondContact O-N 2.92Å; V783-F787 VanDerWaalsContact O-CD2 3.28Å; V783-F787 WeakPolarHBondContact O-CD2 3.22Å; V783-F787 PolarHBondContact O-N 3.24Å |
| 784 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -42.1 | -177 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L759 I762 V780 C781 E782 Q786 F787 G788 G789 Q790 V791 | L759-V784 HydrophobicContact CD2-CG1 4.23Å; I762-V784 HydrophobicContact CB-CG1 4.39Å; I762-V784 HydrophobicContact CB-CG2 3.81Å; I762-V784 HydrophobicContact CD1-CG2 4.24Å; I762-V784 HydrophobicContact CG2-CB 4.22Å; I762-V784 HydrophobicContact CG2-CG1 4.08Å; I762-V784 HydrophobicContact CG2-CG2 3.68Å; V780-V784 WeakPolarHBondContact O-CG2 3.48Å; V780-V784 PolarHBondContact O-N 2.93Å; C781-V784 PolarHBondContact O-N 2.82Å; E782-V784 VanDerWaalsContact C-N 3.33Å; E782-V784 PolarHBondContact O-N 3.1Å; V784-Q786 VanDerWaalsContact C-N 3.32Å; V784-Q786 PolarHBondContact O-N 2.94Å; V784-F787 PolarHBondContact O-N 3.34Å; V784-G788 PolarHBondContact O-N 3.34Å; V784-G789 PolarHBondContact O-N 2.78Å; V784-Q790 WeakPolarHBondContact CG1-O 3.21Å; V784-V791 HydrophobicContact CB-CG2 4.17Å; V784-V791 HydrophobicContact CG1-CG2 4.15Å |
| 785 | H | 98.2 | Very high | 97.1 | Very high | 70 Ų | 70 | 34 Ų | 34 | 32% | 0.324 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 174.6 | -67.9 | 158.7 | 0 | 0 | 0 | 112.5 | C781 E782 F787 G788 G789 G811 D813 | C781-H785 PolarHBondContact O-N 3.21Å; C781-H785 PolarHBondContact O-ND1 3.13Å; E782-H785 PolarHBondContact O-N 3.28Å; H785-F787 PolarHBondContact O-N 2.84Å; H785-G788 PolarHBondContact O-N 2.79Å; H785-G789 PolarHBondContact CD2-O 3.03Å; H785-G811 PolarHBondContact CE1-O 3.14Å; H785-G811 VanDerWaalsContact CE1-O 3.27Å; H785-D813 IonicContact CD2-OD2 3.83Å; H785-D813 IonicContact CE1-OD2 2.74Å; H785-D813 IonicContact NE2-OD1 3.67Å; H785-D813 IonicContact NE2-OD2 3.53Å; H785-D813 PolarHBondContact NE2-OD2 3.45Å |
| 786 | Q | 97.4 | Very high | 97.3 | Very high | 139 Ų | 139 | 28.6 Ų | 28.6 | 65% | 0.65 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -59 | -33.4 | 177.4 | -177.7 | -177.8 | -7.7 | 0 | 0 | 112.5 | E782 V783 V784 | E782-Q786 VanDerWaalsContact O-CB 3.32Å; E782-Q786 WeakPolarHBondContact O-CB 3.32Å; E782-Q786 PolarHBondContact O-N 3.33Å; V783-Q786 WeakPolarHBondContact O-CB 3.34Å; V783-Q786 PolarHBondContact O-N 2.92Å; V784-Q786 VanDerWaalsContact C-N 3.32Å; V784-Q786 PolarHBondContact O-N 2.94Å |
| 787 | F | 97.5 | Very high | 97.5 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 24% | 0.241 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 11.1 | 177.1 | -69.7 | -81.4 | 0 | 0 | 0 | 113.2 | R708 A752 E753 L759 V783 V784 H785 G789 | R708-F787 PolarHBondContact NH1-O 2.83Å; A752-F787 HydrophobicContact CB-CD2 3.69Å; A752-F787 HydrophobicContact CB-CE2 3.94Å; A752-F787 HydrophobicContact CB-CG 4.34Å; E753-F787 HydrophobicContact CB-CE1 4.22Å; E753-F787 HydrophobicContact CB-CZ 3.96Å; E753-F787 HydrophobicContact CG-CZ 4.5Å; L759-F787 HydrophobicContact CD2-CB 3.64Å; V783-F787 VanDerWaalsContact O-CD2 3.28Å; V783-F787 WeakPolarHBondContact O-CD2 3.22Å; V783-F787 PolarHBondContact O-N 3.24Å; V784-F787 PolarHBondContact O-N 3.34Å; H785-F787 PolarHBondContact O-N 2.84Å; F787-G789 VanDerWaalsContact C-N 3.3Å; F787-G789 PolarHBondContact O-N 3.02Å |
| 788 | G | 96.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 23% | 0.227 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 4.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H700 V784 H785 | H700-G788 PolarHBondContact CE1-O 3.47Å; V784-G788 PolarHBondContact O-N 3.34Å; H785-G788 PolarHBondContact O-N 2.79Å |
| 789 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -74.1 | 171.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S760 V784 H785 F787 | S760-G789 CarbonylContact O-C 3.48Å; S760-G789 VanDerWaalsContact O-CA 3.3Å; S760-G789 WeakPolarHBondContact O-CA 3.23Å; V784-G789 PolarHBondContact O-N 2.78Å; H785-G789 PolarHBondContact CD2-O 3.03Å; F787-G789 VanDerWaalsContact C-N 3.3Å; F787-G789 PolarHBondContact O-N 3.02Å | ||
| 790 | Q | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.056 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 158.4 | 173.1 | -61.4 | -65.6 | -82.4 | 0 | 0 | 111.1 | I696 Y699 S760 C761 I762 V784 D813 H842 | I696-Q790 HydrophobicContact CD1-CB 3.87Å; I696-Q790 HydrophobicContact CG1-CB 3.83Å; I696-Q790 HydrophobicContact CG1-CG 4.24Å; I696-Q790 HydrophobicContact CG2-CB 3.95Å; I696-Q790 HydrophobicContact CG2-CG 4Å; Y699-Q790 HydrophobicContact CD1-CG 4.25Å; Y699-Q790 HydrophobicContact CE1-CG 4.43Å; S760-Q790 PolarHBondContact O-N 3.41Å; C761-Q790 CarbonylContact C-O 3.57Å; C761-Q790 WeakPolarHBondContact CA-O 3.33Å; C761-Q790 HydrophobicContact CB-CB 4.29Å; C761-Q790 WeakPolarHBondContact CB-O 3.21Å; I762-Q790 PolarHBondContact N-O 3.34Å; V784-Q790 WeakPolarHBondContact CG1-O 3.21Å; Q790-D813 WeakPolarHBondContact CA-OD2 3.31Å; Q790-H842 PolarHBondContact OE1-NE2 3.2Å |
| 791 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.7 | -178.5 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | I762 V764 C781 V784 A812 D813 V814 | I762-V791 HydrophobicContact CG2-CB 4.3Å; I762-V791 HydrophobicContact CG2-CG1 4.05Å; I762-V791 HydrophobicContact CG2-CG2 4.11Å; V764-V791 HydrophobicContact CG2-CG1 4.27Å; C781-V791 HydrophobicContact CB-CG2 4.04Å; V784-V791 HydrophobicContact CB-CG2 4.17Å; V784-V791 HydrophobicContact CG1-CG2 4.15Å; V791-A812 HydrophobicContact CG1-CB 4.21Å; V791-D813 PolarHBondContact N-OD2 3.18Å; V791-D813 PolarHBondContact O-N 3.23Å; V791-V814 PolarHBondContact O-N 3.03Å |
| 792 | Y | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.2 | 167 | -177.4 | -79.3 | 0 | 0 | 0 | 109.2 | E689 L693 I762 M763 V764 D794 V814 H816 | E689-Y792 WeakPolarHBondContact CA-OH 3.41Å; E689-Y792 HydrophobicContact CG-CE1 4.02Å; E689-Y792 WeakPolarHBondContact CG-OH 3.39Å; E689-Y792 PolarHBondContact N-OH 3.05Å; L693-Y792 HydrophobicContact CD2-CD2 4.41Å; I762-Y792 WeakPolarHBondContact O-CB 3.37Å; I762-Y792 PolarHBondContact O-N 2.83Å; M763-Y792 CarbonylContact C-O 3.36Å; M763-Y792 WeakPolarHBondContact CA-O 3.25Å; M763-Y792 HydrophobicContact CB-CD1 4.19Å; M763-Y792 HydrophobicContact CE-CD1 3.62Å; M763-Y792 HydrophobicContact CE-CE1 3.64Å; M763-Y792 HydrophobicContact CE-CG 4.24Å; M763-Y792 HydrophobicContact CG-CD1 3.98Å; M763-Y792 HydrophobicContact CG-CG 4.21Å; V764-Y792 PolarHBondContact N-O 2.92Å; Y792-D794 HydrophobicContact CE1-CB 4.35Å; Y792-V814 CarbonylContact C-O 3.54Å; Y792-V814 WeakPolarHBondContact CA-O 3.48Å; Y792-V814 HydrophobicContact CD2-CG1 3.71Å; Y792-V814 HydrophobicContact CD2-CG2 4.25Å; Y792-V814 HydrophobicContact CE2-CG2 4.28Å; Y792-V814 HydrophobicContact CG-CG1 4.39Å; Y792-H816 AromaticContact CZ-ND1 3.79Å; Y792-H816 VanDerWaalsContact OH-CB 3.31Å; Y792-H816 WeakPolarHBondContact OH-CB 3.21Å; Y792-H816 VanDerWaalsContact OH-CG 3.28Å; Y792-H816 PolarHBondContact OH-N 3.09Å; Y792-H816 PolarHBondContact OH-ND1 2.83Å |
| 793 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.5 | 174.8 | -174 | 158.5 | 0 | 0 | 0 | 109.6 | V764 G795 P807 A812 V814 S815 | V764-L793 HydrophobicContact CG2-CB 4.26Å; V764-L793 HydrophobicContact CG2-CG 4.32Å; V764-L793 CarbonylContact O-C 3.49Å; V764-L793 WeakPolarHBondContact O-CA 3.13Å; L793-G795 PolarHBondContact O-N 2.76Å; L793-P807 HydrophobicContact CD1-CB 4.04Å; L793-P807 HydrophobicContact CD2-CB 4.08Å; L793-P807 HydrophobicContact CD2-CG 3.94Å; L793-A812 HydrophobicContact CB-CB 3.56Å; L793-A812 HydrophobicContact CD1-CB 3.99Å; L793-A812 HydrophobicContact CG-CB 4.43Å; L793-V814 PolarHBondContact N-O 2.96Å; L793-S815 WeakPolarHBondContact CB-OG 3.49Å; L793-S815 WeakPolarHBondContact O-CA 3.41Å; L793-S815 WeakPolarHBondContact O-CB 3.37Å; L793-S815 PolarHBondContact O-OG 2.99Å |
| 794 | D | 97.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 108.9 | 172.4 | -178.2 | -20.7 | 0 | 0 | 0 | 110.1 | N721 V764 T765 Y792 A796 H816 | N721-D794 PolarHBondContact ND2-OD2 2.89Å; N721-D794 PolarHBondContact OD1-OD2 2.67Å; V764-D794 WeakPolarHBondContact O-CB 3.29Å; V764-D794 PolarHBondContact O-N 3.13Å; T765-D794 HydrophobicContact CG2-CB 4.21Å; Y792-D794 HydrophobicContact CE1-CB 4.35Å; D794-A796 VanDerWaalsContact C-N 3.29Å; D794-A796 PolarHBondContact O-N 3.08Å; D794-A796 WeakPolarHBondContact OD1-CB 3.45Å; D794-A796 PolarHBondContact OD1-N 2.87Å; D794-H816 IonicContact OD1-CE1 3.54Å; D794-H816 PolarHBondContact OD1-CE1 3.04Å; D794-H816 IonicContact OD1-ND1 2.73Å; D794-H816 IonicContact OD1-NE2 3.88Å |
| 795 | G | 96.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 16.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L793 N797 M798 H816 | L793-G795 PolarHBondContact O-N 2.76Å; G795-N797 PolarHBondContact O-N 3.41Å; G795-M798 VanDerWaalsContact O-CB 3.31Å; G795-M798 WeakPolarHBondContact O-CB 3.23Å; G795-M798 WeakPolarHBondContact O-CG 3.22Å; G795-M798 PolarHBondContact O-N 3.04Å; G795-M798 VanDerWaalsContact O-N 3.16Å; G795-H816 WeakPolarHBondContact CA-O 3.47Å; G795-H816 PolarHBondContact N-O 2.85Å; G795-H816 VanDerWaalsContact N-O 3.15Å |
| 796 | A | 96 | Very high | 97.3 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 3% | 0.033 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D794 N818 K821 | D794-A796 VanDerWaalsContact C-N 3.29Å; D794-A796 PolarHBondContact O-N 3.08Å; D794-A796 WeakPolarHBondContact OD1-CB 3.45Å; D794-A796 PolarHBondContact OD1-N 2.87Å; A796-N818 WeakPolarHBondContact CA-OD1 3.44Å; A796-K821 HydrophobicContact CB-CD 4.38Å |
| 797 | N | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 19.6 | -179.4 | -75.3 | 1.2 | 0 | 0 | 0 | 113.4 | T765 P767 S768 G795 N799 A800 H926 E927 | T765-N797 HydrophobicContact CG2-CB 4.38Å; P767-N797 HydrophobicContact CG-CB 4.13Å; P767-N797 PolarHBondContact O-ND2 2.75Å; S768-N797 PolarHBondContact O-ND2 2.91Å; G795-N797 PolarHBondContact O-N 3.41Å; N797-N799 PolarHBondContact O-N 3.49Å; N797-A800 PolarHBondContact O-N 3.25Å; N797-H926 VanDerWaalsContact CG-CE1 3.4Å; N797-H926 PolarHBondContact ND2-CE1 3.34Å; N797-H926 PolarHBondContact OD1-NE2 3.38Å; N797-E927 PolarHBondContact ND2-OE1 3.16Å; N797-E927 VanDerWaalsContact ND2-OE1 3.1Å |
| 798 | M | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | G | 310 helix | trans | -61.3 | -16.6 | 178.8 | -83.6 | -71.4 | -63.2 | 0 | 0 | 114.1 | T673 G795 A800 Q801 V802 P807 L817 T822 | T673-M798 HydrophobicContact CG2-CE 4.05Å; G795-M798 VanDerWaalsContact O-CB 3.31Å; G795-M798 WeakPolarHBondContact O-CB 3.23Å; G795-M798 WeakPolarHBondContact O-CG 3.22Å; G795-M798 PolarHBondContact O-N 3.04Å; G795-M798 VanDerWaalsContact O-N 3.16Å; M798-A800 PolarHBondContact O-N 3.02Å; M798-A800 VanDerWaalsContact O-N 3.1Å; M798-Q801 HydrophobicContact CE-CB 4.22Å; M798-Q801 PolarHBondContact O-N 3.32Å; M798-Q801 HydrophobicContact SD-CB 3.75Å; M798-Q801 HydrophobicContact SD-CG 4.17Å; M798-V802 HydrophobicContact CE-CG2 3.97Å; M798-V802 WeakPolarHBondContact O-CG2 3.42Å; M798-V802 PolarHBondContact O-N 3.31Å; M798-V802 VanDerWaalsContact O-N 3.12Å; M798-P807 HydrophobicContact CE-CG 4.42Å; M798-P807 HydrophobicContact SD-CG 3.5Å; M798-P807 WeakPolarHBondContact SD-CG 3.44Å; M798-L817 HydrophobicContact CB-CD2 4.5Å; M798-L817 HydrophobicContact CE-CD2 4.4Å; M798-L817 HydrophobicContact CG-CD2 3.67Å; M798-L817 HydrophobicContact SD-CD2 4.47Å; M798-T822 HydrophobicContact CB-CG2 4Å |
| 799 | N | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -61 | -20.8 | 175.7 | -154 | 47.9 | 0 | 0 | 0 | 113.2 | T626 K628 N797 T822 S895 E974 | T626-N799 HydrophobicContact CG2-CB 3.91Å; K628-N799 WeakPolarHBondContact CE-OD1 3.34Å; K628-N799 PolarHBondContact NZ-OD1 3.1Å; N797-N799 PolarHBondContact O-N 3.49Å; N799-T822 HydrophobicContact CB-CG2 4.22Å; N799-S895 VanDerWaalsContact O-CA 3.29Å; N799-S895 WeakPolarHBondContact O-CA 3.44Å; N799-S895 WeakPolarHBondContact O-CB 3.42Å; N799-S895 PolarHBondContact O-OG 3.46Å; N799-E974 PolarHBondContact ND2-OE2 2.79Å |
| 800 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -91.6 | -2.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P767 Y773 N797 M798 A925 H926 | P767-A800 HydrophobicContact CG-CB 3.66Å; Y773-A800 WeakPolarHBondContact OH-CB 3.23Å; Y773-A800 PolarHBondContact OH-O 3.18Å; N797-A800 PolarHBondContact O-N 3.25Å; M798-A800 PolarHBondContact O-N 3.02Å; M798-A800 VanDerWaalsContact O-N 3.1Å; A800-A925 HydrophobicContact CB-CB 4.4Å; A800-H926 HydrophobicContact CB-CB 3.91Å |
| 801 | Q | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -36.7 | -173.2 | -66 | -163.7 | 59.3 | 0 | 0 | 113.5 | Y766 M798 G803 I804 T805 | Y766-Q801 PolarHBondContact O-NE2 3.44Å; M798-Q801 HydrophobicContact CE-CB 4.22Å; M798-Q801 PolarHBondContact O-N 3.32Å; M798-Q801 HydrophobicContact SD-CB 3.75Å; M798-Q801 HydrophobicContact SD-CG 4.17Å; Q801-G803 PolarHBondContact O-N 2.87Å; Q801-G803 VanDerWaalsContact O-N 3.14Å; Q801-I804 PolarHBondContact O-N 3.2Å; Q801-T805 HydrophobicContact CB-CG2 3.73Å; Q801-T805 HydrophobicContact CG-CG2 3.63Å; Q801-T805 PolarHBondContact O-N 2.92Å |
| 802 | V | 97 | Very high | 96.9 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 2% | 0.018 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 119 | -170.3 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | L672 M798 I804 T822 F823 L891 S895 | L672-V802 HydrophobicContact CD2-CG1 4.08Å; M798-V802 HydrophobicContact CE-CG2 3.97Å; M798-V802 WeakPolarHBondContact O-CG2 3.42Å; M798-V802 PolarHBondContact O-N 3.31Å; M798-V802 VanDerWaalsContact O-N 3.12Å; V802-I804 PolarHBondContact O-N 3.36Å; V802-T822 HydrophobicContact CG2-CG2 4.07Å; V802-F823 HydrophobicContact CG2-CE1 4.4Å; V802-F823 HydrophobicContact CG2-CZ 4.13Å; V802-L891 HydrophobicContact CG1-CB 3.78Å; V802-L891 HydrophobicContact CG1-CD1 4.47Å; V802-L891 HydrophobicContact CG1-CD2 4.45Å; V802-L891 HydrophobicContact CG1-CG 4.47Å; V802-S895 WeakPolarHBondContact O-CB 3.4Å; V802-S895 PolarHBondContact O-OG 2.83Å |
| 803 | G | 95 | Very high | 96.9 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 5% | 0.052 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -1.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q801 | Q801-G803 PolarHBondContact O-N 2.87Å; Q801-G803 VanDerWaalsContact O-N 3.14Å |
| 804 | I | 96.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 8.1 Ų | 8.1 | 6% | 0.056 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -48 | -179.8 | -56.6 | 168.6 | 0 | 0 | 0 | 111 | T155 V159 Q164 L165 Q801 V802 K892 Q896 I899 | T155-I804 HydrophobicContact CG2-CD1 4.03Å; V159-I804 HydrophobicContact CB-CG2 4.39Å; V159-I804 HydrophobicContact CG1-CG2 4.24Å; V159-I804 HydrophobicContact CG2-CG2 3.91Å; Q164-I804 WeakPolarHBondContact CA-O 3.38Å; L165-I804 PolarHBondContact N-O 2.92Å; Q801-I804 PolarHBondContact O-N 3.2Å; V802-I804 PolarHBondContact O-N 3.36Å; I804-K892 HydrophobicContact CG1-CG 4.47Å; I804-Q896 HydrophobicContact CD1-CG 4.07Å; I804-Q896 HydrophobicContact CG1-CG 4.44Å; I804-I899 HydrophobicContact CD1-CD1 3.82Å |
| 805 | T | 96.1 | Very high | 97 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -139.6 | 179.7 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | I163 Q801 I810 | I163-T805 HydrophobicContact CD1-CG2 4.49Å; I163-T805 WeakPolarHBondContact O-CB 3.47Å; I163-T805 PolarHBondContact O-OG1 3.04Å; Q801-T805 HydrophobicContact CB-CG2 3.73Å; Q801-T805 HydrophobicContact CG-CG2 3.63Å; Q801-T805 PolarHBondContact O-N 2.92Å; T805-I810 HydrophobicContact CG2-CD1 4.36Å | ||
| 806 | S | 95.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 8 Ų | 8 | 4% | 0.035 | 5% | 0.047 | C | C | . | . | trans | -151.1 | 139.5 | 171.1 | 69.3 | 0 | 0 | 0 | 0 | 112 | T673 G808 F809 I810 | T673-S806 WeakPolarHBondContact O-CB 3.39Å; S806-G808 VanDerWaalsContact C-N 3.32Å; S806-G808 PolarHBondContact O-N 3.47Å; S806-F809 WeakPolarHBondContact O-CA 2.96Å; S806-F809 WeakPolarHBondContact O-CB 3.47Å; S806-F809 PolarHBondContact O-N 3.5Å; S806-F809 WeakPolarHBondContact OG-CB 3.35Å; S806-I810 WeakPolarHBondContact O-CG1 3.28Å; S806-I810 PolarHBondContact O-N 2.87Å | ||
| 807 | P | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -51.7 | -46.3 | -178 | -32.3 | 37.4 | 0 | 0 | 0 | 114.2 | T673 Y675 L793 M798 F809 I810 G811 A812 | T673-P807 WeakPolarHBondContact O-CD 3.35Å; Y675-P807 HydrophobicContact CE2-CB 4Å; Y675-P807 WeakPolarHBondContact OH-CB 3.46Å; L793-P807 HydrophobicContact CD1-CB 4.04Å; L793-P807 HydrophobicContact CD2-CB 4.08Å; L793-P807 HydrophobicContact CD2-CG 3.94Å; M798-P807 HydrophobicContact CE-CG 4.42Å; M798-P807 HydrophobicContact SD-CG 3.5Å; M798-P807 WeakPolarHBondContact SD-CG 3.44Å; P807-F809 VanDerWaalsContact C-N 3.28Å; P807-F809 PolarHBondContact O-N 3.33Å; P807-I810 WeakPolarHBondContact O-CB 3.36Å; P807-I810 PolarHBondContact O-N 2.94Å; P807-G811 PolarHBondContact O-N 3.02Å; P807-G811 VanDerWaalsContact O-N 3.11Å; P807-A812 HydrophobicContact CB-CB 4.17Å; P807-A812 WeakPolarHBondContact O-CB 3.4Å; P807-A812 PolarHBondContact O-N 3.32Å |
| 808 | G | 96.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 8.2 Ų | 8.2 | 7% | 0.072 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -70.3 | -21.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T673 G674 S806 K840 | T673-G808 PolarHBondContact O-N 2.83Å; G674-G808 WeakPolarHBondContact O-CA 3.35Å; S806-G808 VanDerWaalsContact C-N 3.32Å; S806-G808 PolarHBondContact O-N 3.47Å; G808-K840 VanDerWaalsContact O-CE 3.23Å; G808-K840 WeakPolarHBondContact O-CE 3.24Å; G808-K840 PolarHBondContact O-NZ 3.22Å |
| 809 | F | 94.3 | Very high | 97.3 | Very high | 95 Ų | 95 | 8.2 Ų | 8.2 | 42% | 0.417 | 5% | 0.048 | S | C | . | . | H | α-helix | trans | -81.1 | -32.2 | 170.6 | -178.5 | -113.9 | 0 | 0 | 0 | 112.3 | L165 R778 S806 P807 | L165-F809 HydrophobicContact CD2-CB 4.32Å; L165-F809 HydrophobicContact CD2-CD1 3.99Å; L165-F809 HydrophobicContact CD2-CG 4.14Å; R778-F809 PolarHBondContact NH1-O 3.46Å; R778-F809 VanDerWaalsContact NH2-CE1 3.3Å; R778-F809 PolarHBondContact NH2-O 2.8Å; S806-F809 WeakPolarHBondContact O-CA 2.96Å; S806-F809 WeakPolarHBondContact O-CB 3.47Å; S806-F809 PolarHBondContact O-N 3.5Å; S806-F809 WeakPolarHBondContact OG-CB 3.35Å; P807-F809 VanDerWaalsContact C-N 3.28Å; P807-F809 PolarHBondContact O-N 3.33Å |
| 810 | I | 96.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 175 | -67.5 | 166.7 | 0 | 0 | 0 | 110.8 | I163 Y766 I777 R778 T805 S806 P807 | I163-I810 HydrophobicContact CB-CG1 4.03Å; I163-I810 HydrophobicContact CD1-CD1 4.27Å; I163-I810 HydrophobicContact CD1-CG1 4.39Å; I163-I810 HydrophobicContact CG2-CG1 3.98Å; Y766-I810 HydrophobicContact CD1-CD1 3.62Å; Y766-I810 HydrophobicContact CE1-CD1 3.82Å; Y766-I810 HydrophobicContact CG-CD1 4.45Å; I777-I810 HydrophobicContact CB-CG2 4.34Å; I777-I810 HydrophobicContact CG1-CG2 3.68Å; I777-I810 HydrophobicContact CG2-CG2 3.8Å; R778-I810 PolarHBondContact NH1-O 3.45Å; T805-I810 HydrophobicContact CG2-CD1 4.36Å; S806-I810 WeakPolarHBondContact O-CG1 3.28Å; S806-I810 PolarHBondContact O-N 2.87Å; P807-I810 WeakPolarHBondContact O-CB 3.36Å; P807-I810 PolarHBondContact O-N 2.94Å |
| 811 | G | 96.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 9 Ų | 9 | 22% | 0.216 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 134.7 | 7.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H785 P807 | H785-G811 PolarHBondContact CE1-O 3.14Å; H785-G811 VanDerWaalsContact CE1-O 3.27Å; P807-G811 PolarHBondContact O-N 3.02Å; P807-G811 VanDerWaalsContact O-N 3.11Å |
| 812 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -69.9 | 143 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y675 V791 L793 P807 | Y675-A812 WeakPolarHBondContact CE1-O 3.21Å; Y675-A812 VanDerWaalsContact OH-CB 3.22Å; Y675-A812 WeakPolarHBondContact OH-CB 3.03Å; V791-A812 HydrophobicContact CG1-CB 4.21Å; L793-A812 HydrophobicContact CB-CB 3.56Å; L793-A812 HydrophobicContact CD1-CB 3.99Å; L793-A812 HydrophobicContact CG-CB 4.43Å; P807-A812 HydrophobicContact CB-CB 4.17Å; P807-A812 WeakPolarHBondContact O-CB 3.4Å; P807-A812 PolarHBondContact O-N 3.32Å | ||
| 813 | D | 98.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 8.9 Ų | 8.9 | 7% | 0.07 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -89.6 | -31.8 | 178 | -62.3 | -63.3 | 0 | 0 | 0 | 111.9 | Y675 H785 Q790 V791 V839 K840 H842 L843 | Y675-D813 WeakPolarHBondContact CE1-O 3.15Å; H785-D813 IonicContact CD2-OD2 3.83Å; H785-D813 IonicContact CE1-OD2 2.74Å; H785-D813 IonicContact NE2-OD1 3.67Å; H785-D813 IonicContact NE2-OD2 3.53Å; H785-D813 PolarHBondContact NE2-OD2 3.45Å; Q790-D813 WeakPolarHBondContact CA-OD2 3.31Å; V791-D813 PolarHBondContact N-OD2 3.18Å; V791-D813 PolarHBondContact O-N 3.23Å; D813-V839 CarbonylContact O-C 3.3Å; D813-V839 WeakPolarHBondContact O-CA 3.49Å; D813-K840 PolarHBondContact O-N 3.42Å; D813-H842 IonicContact OD1-CE1 2.67Å; D813-H842 PolarHBondContact OD1-CE1 2.88Å; D813-H842 VanDerWaalsContact OD1-CE1 3.32Å; D813-H842 IonicContact OD1-NE2 3.49Å; D813-L843 HydrophobicContact CB-CD1 3.82Å |
| 814 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 143.6 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | Y675 I696 V791 Y792 L793 I837 G838 V839 L843 | Y675-V814 PolarHBondContact OH-O 3.02Å; I696-V814 HydrophobicContact CD1-CG1 3.66Å; I696-V814 HydrophobicContact CG1-CG1 4.08Å; V791-V814 PolarHBondContact O-N 3.03Å; Y792-V814 CarbonylContact C-O 3.54Å; Y792-V814 WeakPolarHBondContact CA-O 3.48Å; Y792-V814 HydrophobicContact CD2-CG1 3.71Å; Y792-V814 HydrophobicContact CD2-CG2 4.25Å; Y792-V814 HydrophobicContact CE2-CG2 4.28Å; Y792-V814 HydrophobicContact CG-CG1 4.39Å; L793-V814 PolarHBondContact N-O 2.96Å; V814-I837 HydrophobicContact CG2-CB 4.3Å; V814-G838 CarbonylContact C-O 3.56Å; V814-G838 VanDerWaalsContact CA-O 3.27Å; V814-G838 WeakPolarHBondContact CA-O 3.43Å; V814-V839 HydrophobicContact CB-CG1 3.95Å; V814-V839 HydrophobicContact CG2-CG1 3.64Å; V814-L843 HydrophobicContact CB-CD1 3.94Å; V814-L843 HydrophobicContact CG1-CD1 3.94Å |
| 815 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.5 | 168.1 | -70.3 | 0 | 0 | 0 | 0 | 111 | Y675 L793 I837 G838 | Y675-S815 WeakPolarHBondContact OH-CB 3.36Å; Y675-S815 PolarHBondContact OH-N 3.43Å; Y675-S815 PolarHBondContact OH-OG 3.44Å; L793-S815 WeakPolarHBondContact CB-OG 3.49Å; L793-S815 WeakPolarHBondContact O-CA 3.41Å; L793-S815 WeakPolarHBondContact O-CB 3.37Å; L793-S815 PolarHBondContact O-OG 2.99Å; S815-I837 CarbonylContact O-C 3.56Å; S815-I837 WeakPolarHBondContact O-CA 3.47Å; S815-G838 PolarHBondContact N-O 3.03Å; S815-G838 PolarHBondContact O-N 3.28Å |
| 816 | H | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.009 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 155.7 | 155.8 | 84.8 | -77.1 | 0 | 0 | 0 | 111.3 | G685 E689 Y792 D794 G795 N818 P836 I837 | G685-H816 WeakPolarHBondContact CA-CD2 3.33Å; G685-H816 WeakPolarHBondContact CA-NE2 2.76Å; G685-H816 PolarHBondContact O-CD2 3.35Å; E689-H816 IonicContact OE1-CE1 3.26Å; Y792-H816 AromaticContact CZ-ND1 3.79Å; Y792-H816 VanDerWaalsContact OH-CB 3.31Å; Y792-H816 WeakPolarHBondContact OH-CB 3.21Å; Y792-H816 VanDerWaalsContact OH-CG 3.28Å; Y792-H816 PolarHBondContact OH-N 3.09Å; Y792-H816 PolarHBondContact OH-ND1 2.83Å; D794-H816 IonicContact OD1-CE1 3.54Å; D794-H816 PolarHBondContact OD1-CE1 3.04Å; D794-H816 IonicContact OD1-ND1 2.73Å; D794-H816 IonicContact OD1-NE2 3.88Å; G795-H816 WeakPolarHBondContact CA-O 3.47Å; G795-H816 PolarHBondContact N-O 2.85Å; G795-H816 VanDerWaalsContact N-O 3.15Å; H816-N818 PolarHBondContact CD2-OD1 2.83Å; H816-N818 VanDerWaalsContact CD2-OD1 3.25Å; H816-N818 PolarHBondContact NE2-OD1 3.3Å; H816-P836 CarbonylContact C-O 3.6Å; H816-P836 WeakPolarHBondContact CA-O 3.48Å; H816-I837 HydrophobicContact CB-CG2 3.97Å |
| 817 | L | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.01 | 5% | 0.045 | C | C | . | . | B | Isolated β-bridge | trans | -118.8 | 133.1 | 170.4 | -56.7 | 175 | 0 | 0 | 0 | 109.9 | L669 T673 M798 L819 F823 G835 P836 | L669-L817 HydrophobicContact CB-CD1 4.32Å; L669-L817 HydrophobicContact CD1-CD1 4.11Å; L669-L817 HydrophobicContact CD2-CD1 3.79Å; L669-L817 HydrophobicContact CG-CD1 4.28Å; T673-L817 HydrophobicContact CG2-CD1 3.86Å; T673-L817 HydrophobicContact CG2-CD2 3.83Å; T673-L817 HydrophobicContact CG2-CG 4.33Å; M798-L817 HydrophobicContact CB-CD2 4.5Å; M798-L817 HydrophobicContact CE-CD2 4.4Å; M798-L817 HydrophobicContact CG-CD2 3.67Å; M798-L817 HydrophobicContact SD-CD2 4.47Å; L817-L819 HydrophobicContact CB-CD2 4.39Å; L817-L819 PolarHBondContact O-N 2.94Å; L817-F823 HydrophobicContact CB-CE2 4.31Å; L817-F823 HydrophobicContact CD1-CE2 4.12Å; L817-G835 VanDerWaalsContact O-CA 3.29Å; L817-G835 WeakPolarHBondContact O-CA 3.24Å; L817-P836 HydrophobicContact CB-CG 4.33Å; L817-P836 PolarHBondContact N-O 3.47Å; L817-P836 WeakPolarHBondContact O-CD 3.49Å |
| 818 | N | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 3% | 0.032 | 5% | 0.045 | C | C | . | . | trans | -84.8 | 96.2 | 168.9 | -65.6 | 65.6 | 0 | 0 | 0 | 109.6 | A796 H816 H820 K821 T822 | A796-N818 WeakPolarHBondContact CA-OD1 3.44Å; H816-N818 PolarHBondContact CD2-OD1 2.83Å; H816-N818 VanDerWaalsContact CD2-OD1 3.25Å; H816-N818 PolarHBondContact NE2-OD1 3.3Å; N818-H820 PolarHBondContact ND2-CE1 2.67Å; N818-H820 PolarHBondContact ND2-NE2 2.98Å; N818-H820 VanDerWaalsContact ND2-NE2 3.15Å; N818-H820 PolarHBondContact O-N 3.26Å; N818-K821 HydrophobicContact CB-CB 3.76Å; N818-K821 HydrophobicContact CB-CD 3.68Å; N818-K821 HydrophobicContact CB-CG 3.58Å; N818-K821 WeakPolarHBondContact ND2-CE 3.45Å; N818-K821 PolarHBondContact O-N 3.36Å; N818-T822 PolarHBondContact O-N 3.3Å | ||
| 819 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.7 | 175.8 | -61.3 | -167 | 0 | 0 | 0 | 112.3 | L669 L817 K821 F823 C824 I825 M834 P836 L876 | L669-L819 HydrophobicContact CD1-CD2 4.32Å; L817-L819 HydrophobicContact CB-CD2 4.39Å; L817-L819 PolarHBondContact O-N 2.94Å; L819-K821 PolarHBondContact O-N 3.11Å; L819-F823 HydrophobicContact CB-CB 4.44Å; L819-F823 HydrophobicContact CD2-CB 4Å; L819-F823 HydrophobicContact CD2-CD2 3.51Å; L819-F823 HydrophobicContact CD2-CE2 4.27Å; L819-F823 HydrophobicContact CD2-CG 3.97Å; L819-F823 CarbonylContact O-C 3.43Å; L819-F823 WeakPolarHBondContact O-CA 3.33Å; L819-F823 PolarHBondContact O-N 3.34Å; L819-C824 PolarHBondContact O-N 3.29Å; L819-I825 HydrophobicContact CB-CD1 3.57Å; L819-I825 HydrophobicContact CB-CG1 4.13Å; L819-I825 HydrophobicContact CD1-CD1 4.13Å; L819-I825 PolarHBondContact O-N 3.1Å; L819-M834 HydrophobicContact CB-CB 4.15Å; L819-M834 HydrophobicContact CD1-CB 3.84Å; L819-M834 HydrophobicContact CG-CB 4.12Å; L819-M834 PolarHBondContact N-O 3.21Å; L819-M834 VanDerWaalsContact N-O 3.16Å; L819-P836 HydrophobicContact CD1-CG 4.01Å; L819-P836 HydrophobicContact CD2-CG 3.93Å; L819-P836 HydrophobicContact CG-CG 3.85Å; L819-L876 HydrophobicContact CD1-CD2 3.65Å |
| 820 | H | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 3.3 Ų | 3.3 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 8.2 | 175.7 | 60.3 | -75 | 0 | 0 | 0 | 114.5 | T449 N818 I825 H827 G833 M834 | T449-H820 PolarHBondContact OG1-NE2 2.77Å; T449-H820 VanDerWaalsContact OG1-NE2 3.15Å; N818-H820 PolarHBondContact ND2-CE1 2.67Å; N818-H820 PolarHBondContact ND2-NE2 2.98Å; N818-H820 VanDerWaalsContact ND2-NE2 3.15Å; N818-H820 PolarHBondContact O-N 3.26Å; H820-I825 CarbonylContact C-O 3.28Å; H820-I825 WeakPolarHBondContact CA-O 3.3Å; H820-I825 HydrophobicContact CB-CB 3.94Å; H820-I825 HydrophobicContact CB-CG2 3.79Å; H820-H827 PolarHBondContact O-CE1 2.88Å; H820-H827 PolarHBondContact O-NE2 2.77Å; H820-H827 VanDerWaalsContact O-NE2 3.15Å; H820-G833 WeakPolarHBondContact ND1-CA 3.31Å; H820-M834 PolarHBondContact ND1-O 3.27Å |
| 821 | K | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 3.2 Ų | 3.2 | 7% | 0.07 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -72.4 | 169.9 | -60.6 | -175.3 | -175.9 | 178.1 | 0 | 108.4 | S624 C625 T626 K628 A796 N818 L819 F823 | S624-K821 WeakPolarHBondContact O-CD 3.27Å; S624-K821 WeakPolarHBondContact O-CE 3.32Å; S624-K821 PolarHBondContact O-NZ 3.38Å; C625-K821 WeakPolarHBondContact O-CG 3.21Å; T626-K821 WeakPolarHBondContact CG2-O 3.34Å; K628-K821 WeakPolarHBondContact CE-O 3.22Å; A796-K821 HydrophobicContact CB-CD 4.38Å; N818-K821 HydrophobicContact CB-CB 3.76Å; N818-K821 HydrophobicContact CB-CD 3.68Å; N818-K821 HydrophobicContact CB-CG 3.58Å; N818-K821 WeakPolarHBondContact ND2-CE 3.45Å; N818-K821 PolarHBondContact O-N 3.36Å; L819-K821 PolarHBondContact O-N 3.11Å; K821-F823 PolarHBondContact O-N 2.81Å |
| 822 | T | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 2.3 Ų | 2.3 | 1% | 0.006 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -29.9 | -171.5 | -48.2 | 0 | 0 | 0 | 0 | 113.7 | K628 M798 N799 V802 N818 | K628-T822 WeakPolarHBondContact CE-O 3.21Å; K628-T822 PolarHBondContact NZ-O 3.34Å; M798-T822 HydrophobicContact CB-CG2 4Å; N799-T822 HydrophobicContact CB-CG2 4.22Å; V802-T822 HydrophobicContact CG2-CG2 4.07Å; N818-T822 PolarHBondContact O-N 3.3Å |
| 823 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 37.7 | -169.3 | -54.8 | -84.2 | 0 | 0 | 0 | 113.4 | L669 L672 V802 L817 L819 K821 I825 S879 Y882 I883 | L669-F823 HydrophobicContact CD2-CE1 4.09Å; L669-F823 HydrophobicContact CD2-CE2 4.23Å; L669-F823 HydrophobicContact CD2-CZ 3.93Å; L672-F823 HydrophobicContact CD1-CE1 4.07Å; V802-F823 HydrophobicContact CG2-CE1 4.4Å; V802-F823 HydrophobicContact CG2-CZ 4.13Å; L817-F823 HydrophobicContact CB-CE2 4.31Å; L817-F823 HydrophobicContact CD1-CE2 4.12Å; L819-F823 HydrophobicContact CB-CB 4.44Å; L819-F823 HydrophobicContact CD2-CB 4Å; L819-F823 HydrophobicContact CD2-CD2 3.51Å; L819-F823 HydrophobicContact CD2-CE2 4.27Å; L819-F823 HydrophobicContact CD2-CG 3.97Å; L819-F823 CarbonylContact O-C 3.43Å; L819-F823 WeakPolarHBondContact O-CA 3.33Å; L819-F823 PolarHBondContact O-N 3.34Å; K821-F823 PolarHBondContact O-N 2.81Å; F823-I825 VanDerWaalsContact C-N 3.28Å; F823-I825 PolarHBondContact O-N 2.85Å; F823-S879 WeakPolarHBondContact CB-OG 3.41Å; F823-S879 WeakPolarHBondContact O-CA 3.11Å; F823-S879 WeakPolarHBondContact O-CB 3.4Å; F823-S879 PolarHBondContact O-OG 2.86Å; F823-Y882 HydrophobicContact CB-CD1 4.35Å; F823-Y882 HydrophobicContact CD1-CD1 4Å; F823-Y882 AromaticContact CD1-CE1 4Å; F823-Y882 HydrophobicContact CD1-CE1 4Å; F823-I883 HydrophobicContact CD1-CD1 4.09Å; F823-I883 HydrophobicContact CD1-CG1 4.19Å; F823-I883 HydrophobicContact CE1-CD1 4.25Å; F823-I883 HydrophobicContact CE1-CG1 4.49Å |
| 824 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | 66 | 1.7 | 162.7 | -50.5 | 0 | 0 | 0 | 0 | 118.5 | K628 N630 E634 L819 I878 Y882 | K628-C824 VanDerWaalsContact CD-SG 3.53Å; N630-C824 PolarHBondContact ND2-O 2.89Å; E634-C824 VanDerWaalsContact OE2-CB 3.26Å; E634-C824 WeakPolarHBondContact OE2-CB 3.43Å; L819-C824 PolarHBondContact O-N 3.29Å; C824-I878 VanDerWaalsContact C-CG2 3.46Å; C824-I878 HydrophobicContact CB-CG2 4.11Å; C824-I878 VanDerWaalsContact O-CG2 3.3Å; C824-I878 WeakPolarHBondContact O-CG2 3.17Å; C824-Y882 HydrophobicContact CB-CG 4.41Å; C824-Y882 WeakPolarHBondContact SG-CD2 3.46Å | ||
| 825 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -57.3 | 132.4 | 169.1 | -69.2 | -179.6 | 0 | 0 | 0 | 108.3 | L819 H820 F823 M834 I875 I878 | L819-I825 HydrophobicContact CB-CD1 3.57Å; L819-I825 HydrophobicContact CB-CG1 4.13Å; L819-I825 HydrophobicContact CD1-CD1 4.13Å; L819-I825 PolarHBondContact O-N 3.1Å; H820-I825 CarbonylContact C-O 3.28Å; H820-I825 WeakPolarHBondContact CA-O 3.3Å; H820-I825 HydrophobicContact CB-CB 3.94Å; H820-I825 HydrophobicContact CB-CG2 3.79Å; F823-I825 VanDerWaalsContact C-N 3.28Å; F823-I825 PolarHBondContact O-N 2.85Å; I825-M834 HydrophobicContact CD1-CB 4.11Å; I825-M834 HydrophobicContact CD1-CG 4.2Å; I825-I875 HydrophobicContact CD1-CB 4.21Å; I825-I875 HydrophobicContact CD1-CD1 4Å; I825-I875 HydrophobicContact CD1-CG1 4.02Å; I825-I875 WeakPolarHBondContact CD1-O 3.44Å; I825-I875 HydrophobicContact CG2-CD1 3.95Å; I825-I878 HydrophobicContact CG1-CB 4.05Å; I825-I878 HydrophobicContact CG1-CD1 4.22Å; I825-I878 HydrophobicContact CG1-CG2 4.12Å | ||
| 826 | P | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 1.7 Ų | 1.7 | 2% | 0.019 | 1% | 0.009 | C | C | . | . | trans | -66.5 | 143.5 | -175.9 | 29.4 | -38.8 | 0 | 0 | 0 | 112 | Y222 N630 M635 G828 I878 | Y222-P826 HydrophobicContact CD2-CB 3.52Å; Y222-P826 HydrophobicContact CD2-CG 4.33Å; Y222-P826 HydrophobicContact CE2-CB 4.35Å; Y222-P826 HydrophobicContact CG-CB 4.1Å; Y222-P826 WeakPolarHBondContact O-CB 3.18Å; N630-P826 HydrophobicContact CB-CB 4.41Å; N630-P826 WeakPolarHBondContact ND2-CA 3.4Å; M635-P826 HydrophobicContact CE-CG 3.83Å; M635-P826 HydrophobicContact SD-CB 4.41Å; M635-P826 HydrophobicContact SD-CG 3.75Å; P826-G828 VanDerWaalsContact C-N 3.25Å; P826-G828 PolarHBondContact O-N 3.4Å; P826-I878 HydrophobicContact CG-CD1 4.48Å | ||
| 827 | H | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -66.2 | -23.9 | -179.2 | -67.1 | 78.7 | 0 | 0 | 0 | 113.7 | Y222 A224 Y225 C625 T626 M627 H820 G829 G830 G831 | Y222-H827 PolarHBondContact O-N 3.46Å; A224-H827 CarbonylContact O-C 3.52Å; A224-H827 VanDerWaalsContact O-CB 3.28Å; A224-H827 WeakPolarHBondContact O-CB 3.39Å; Y225-H827 AromaticContact CD1-CD2 3.94Å; Y225-H827 HydrophobicContact CD2-CB 3.57Å; Y225-H827 AromaticContact CD2-CD2 3.79Å; Y225-H827 HydrophobicContact CE2-CB 4.38Å; Y225-H827 HydrophobicContact CG-CB 3.88Å; Y225-H827 AromaticContact CG-CD2 3.66Å; C625-H827 PolarHBondContact O-NE2 3.48Å; T626-H827 PolarHBondContact O-CE1 3.31Å; T626-H827 VanDerWaalsContact O-CE1 3.28Å; M627-H827 HydrophobicContact CE-CB 4.26Å; M627-H827 PolarHBondContact SD-CD2 2.68Å; M627-H827 PolarHBondContact SD-NE2 3.38Å; H820-H827 PolarHBondContact O-CE1 2.88Å; H820-H827 PolarHBondContact O-NE2 2.77Å; H820-H827 VanDerWaalsContact O-NE2 3.15Å; H827-G829 VanDerWaalsContact C-N 3.28Å; H827-G829 PolarHBondContact O-N 2.9Å; H827-G829 VanDerWaalsContact O-N 3.16Å; H827-G830 CarbonylContact O-C 3.59Å; H827-G830 PolarHBondContact O-N 2.91Å; H827-G831 PolarHBondContact O-N 2.94Å | ||
| 828 | G | 97.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 1.5 Ų | 1.5 | 1% | 0.01 | 1% | 0.008 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 23.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y222 A224 V452 L453 P826 G830 G831 | Y222-G828 WeakPolarHBondContact O-CA 3.19Å; Y222-G828 PolarHBondContact O-N 3.29Å; A224-G828 PolarHBondContact O-N 2.99Å; V452-G828 WeakPolarHBondContact CB-O 3.36Å; V452-G828 WeakPolarHBondContact CG1-O 3.44Å; L453-G828 PolarHBondContact N-O 2.88Å; P826-G828 VanDerWaalsContact C-N 3.25Å; P826-G828 PolarHBondContact O-N 3.4Å; G828-G830 PolarHBondContact O-N 2.84Å; G828-G831 CarbonylContact C-O 3.56Å; G828-G831 WeakPolarHBondContact CA-O 3.37Å |
| 829 | G | 96.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 1.2 Ų | 1.2 | 1% | 0.01 | 1% | 0.007 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 10.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A224 Y225 T226 H827 | A224-G829 WeakPolarHBondContact O-CA 3.42Å; A224-G829 PolarHBondContact O-N 2.97Å; Y225-G829 CarbonylContact C-O 3.54Å; Y225-G829 CarbonylContact O-C 3.59Å; Y225-G829 VanDerWaalsContact O-C 3.26Å; Y225-G829 WeakPolarHBondContact O-CA 3.45Å; T226-G829 WeakPolarHBondContact CA-O 3.39Å; H827-G829 VanDerWaalsContact C-N 3.28Å; H827-G829 PolarHBondContact O-N 2.9Å; H827-G829 VanDerWaalsContact O-N 3.16Å |
| 830 | G | 95.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 130 | 16.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R413 S450 H827 G828 | R413-G830 PolarHBondContact NH2-O 3.16Å; S450-G830 PolarHBondContact N-O 2.83Å; H827-G830 CarbonylContact O-C 3.59Å; H827-G830 PolarHBondContact O-N 2.91Å; G828-G830 PolarHBondContact O-N 2.84Å |
| 831 | G | 96.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | 151.1 | 142.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S450 V452 L453 H827 G828 | S450-G831 VanDerWaalsContact O-CA 3.32Å; S450-G831 WeakPolarHBondContact O-CA 3.34Å; V452-G831 PolarHBondContact N-O 3.25Å; L453-G831 WeakPolarHBondContact CB-O 3.39Å; L453-G831 PolarHBondContact N-O 3.49Å; H827-G831 PolarHBondContact O-N 2.94Å; G828-G831 CarbonylContact C-O 3.56Å; G828-G831 WeakPolarHBondContact CA-O 3.37Å | ||
| 832 | P | 97.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.019 | 5% | 0.051 | C | C | . | . | cis | -90.7 | 165.9 | 33.3 | 34.4 | -37.8 | 0 | 0 | 0 | 115.2 | P395 L454 I875 | P395-P832 HydrophobicContact CB-CB 3.55Å; P395-P832 HydrophobicContact CB-CG 4.31Å; P395-P832 HydrophobicContact CG-CB 3.78Å; P395-P832 HydrophobicContact CG-CG 3.99Å; L454-P832 HydrophobicContact CD2-CB 3.89Å; L454-P832 HydrophobicContact CD2-CG 4.1Å; P832-I875 HydrophobicContact CB-CD1 3.79Å; P832-I875 HydrophobicContact CG-CD1 3.88Å | ||
| 833 | G | 95.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -132.5 | 164.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112 | N683 H820 | N683-G833 CarbonylContact C-O 3.59Å; N683-G833 CarbonylContact O-C 3.54Å; H820-G833 WeakPolarHBondContact ND1-CA 3.31Å | ||
| 834 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -133.6 | 139.1 | 161.2 | -78 | -61.9 | -76.1 | 0 | 0 | 108.2 | M680 N683 L819 H820 I825 P836 F870 S872 I875 L876 | M680-M834 WeakPolarHBondContact O-CE 3.47Å; N683-M834 HydrophobicContact CB-SD 4.17Å; L819-M834 HydrophobicContact CB-CB 4.15Å; L819-M834 HydrophobicContact CD1-CB 3.84Å; L819-M834 HydrophobicContact CG-CB 4.12Å; L819-M834 PolarHBondContact N-O 3.21Å; L819-M834 VanDerWaalsContact N-O 3.16Å; H820-M834 PolarHBondContact ND1-O 3.27Å; I825-M834 HydrophobicContact CD1-CB 4.11Å; I825-M834 HydrophobicContact CD1-CG 4.2Å; M834-P836 VanDerWaalsContact C-CD 3.47Å; M834-F870 WeakPolarHBondContact CE-O 3.19Å; M834-S872 PolarHBondContact SD-N 3.35Å; M834-I875 HydrophobicContact CG-CD1 3.96Å; M834-I875 HydrophobicContact CG-CG1 4.11Å; M834-L876 HydrophobicContact CB-CD2 4.45Å; M834-L876 HydrophobicContact CE-CD2 3.92Å; M834-L876 HydrophobicContact CE-CG 4.49Å; M834-L876 HydrophobicContact CG-CD2 4.09Å | ||
| 835 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -128.5 | 51.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P682 S684 G688 L817 | P682-G835 WeakPolarHBondContact CB-O 3.34Å; P682-G835 CarbonylContact O-C 3.38Å; P682-G835 PolarHBondContact O-N 3.09Å; S684-G835 WeakPolarHBondContact O-CA 3.45Å; G688-G835 WeakPolarHBondContact CA-O 3.5Å; L817-G835 VanDerWaalsContact O-CA 3.29Å; L817-G835 WeakPolarHBondContact O-CA 3.24Å | ||
| 836 | P | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -56.9 | 145.2 | -179 | 28.3 | -37.1 | 0 | 0 | 0 | 111 | L669 V678 C679 M680 H816 L817 L819 M834 | L669-P836 HydrophobicContact CD1-CG 4.21Å; V678-P836 HydrophobicContact CG1-CB 4Å; C679-P836 CarbonylContact O-C 3.54Å; C679-P836 VanDerWaalsContact O-CA 3.23Å; C679-P836 WeakPolarHBondContact O-CA 3.36Å; C679-P836 WeakPolarHBondContact O-CB 3.42Å; M680-P836 HydrophobicContact SD-CB 3.63Å; M680-P836 HydrophobicContact SD-CG 4.23Å; H816-P836 CarbonylContact C-O 3.6Å; H816-P836 WeakPolarHBondContact CA-O 3.48Å; L817-P836 HydrophobicContact CB-CG 4.33Å; L817-P836 PolarHBondContact N-O 3.47Å; L817-P836 WeakPolarHBondContact O-CD 3.49Å; L819-P836 HydrophobicContact CD1-CG 4.01Å; L819-P836 HydrophobicContact CD2-CG 3.93Å; L819-P836 HydrophobicContact CG-CG 3.85Å; M834-P836 VanDerWaalsContact C-CD 3.47Å | ||
| 837 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.4 | 177.3 | 59.5 | 172 | 0 | 0 | 0 | 110.8 | V678 C679 G688 A691 V814 S815 H816 V839 V847 | V678-I837 CarbonylContact C-O 3.51Å; V678-I837 WeakPolarHBondContact CA-O 3.5Å; C679-I837 HydrophobicContact CB-CD1 4.27Å; C679-I837 HydrophobicContact CB-CG1 3.71Å; C679-I837 PolarHBondContact N-O 3.15Å; C679-I837 PolarHBondContact O-N 3.29Å; G688-I837 WeakPolarHBondContact O-CG2 3.3Å; A691-I837 HydrophobicContact CB-CD1 3.97Å; A691-I837 HydrophobicContact CB-CG2 4.46Å; V814-I837 HydrophobicContact CG2-CB 4.3Å; S815-I837 CarbonylContact O-C 3.56Å; S815-I837 WeakPolarHBondContact O-CA 3.47Å; H816-I837 HydrophobicContact CB-CG2 3.97Å; I837-V839 HydrophobicContact CD1-CG1 4.2Å; I837-V839 HydrophobicContact CG1-CG1 4.39Å; I837-V847 HydrophobicContact CD1-CB 4.2Å; I837-V847 HydrophobicContact CD1-CG1 3.87Å |
| 838 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y675 A677 V814 S815 | Y675-G838 VanDerWaalsContact CD2-C 3.41Å; Y675-G838 VanDerWaalsContact CD2-CA 3.49Å; Y675-G838 VanDerWaalsContact CG-C 3.44Å; A677-G838 CarbonylContact O-C 3.42Å; A677-G838 WeakPolarHBondContact O-CA 3.34Å; V814-G838 CarbonylContact C-O 3.56Å; V814-G838 VanDerWaalsContact CA-O 3.27Å; V814-G838 WeakPolarHBondContact CA-O 3.43Å; S815-G838 PolarHBondContact N-O 3.03Å; S815-G838 PolarHBondContact O-N 3.28Å |
| 839 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.6 | -176.5 | -62.1 | 0 | 0 | 0 | 0 | 112 | Y675 D676 A677 D813 V814 I837 L843 A844 V847 | Y675-V839 WeakPolarHBondContact CB-O 3.14Å; Y675-V839 VanDerWaalsContact CD1-C 3.46Å; D676-V839 PolarHBondContact N-O 3.24Å; A677-V839 HydrophobicContact CB-CG2 4.04Å; A677-V839 PolarHBondContact N-O 3.13Å; A677-V839 VanDerWaalsContact N-O 3.13Å; A677-V839 PolarHBondContact O-N 3.23Å; D813-V839 CarbonylContact O-C 3.3Å; D813-V839 WeakPolarHBondContact O-CA 3.49Å; V814-V839 HydrophobicContact CB-CG1 3.95Å; V814-V839 HydrophobicContact CG2-CG1 3.64Å; I837-V839 HydrophobicContact CD1-CG1 4.2Å; I837-V839 HydrophobicContact CG1-CG1 4.39Å; V839-L843 HydrophobicContact CB-CB 3.96Å; V839-L843 HydrophobicContact CG1-CB 4.35Å; V839-A844 HydrophobicContact CG2-CB 4.1Å; V839-V847 HydrophobicContact CB-CG1 4.43Å; V839-V847 HydrophobicContact CG1-CG1 3.78Å; V839-V847 HydrophobicContact CG2-CG1 3.85Å |
| 840 | K | 98.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 14.4 Ų | 14.4 | 21% | 0.209 | 9% | 0.085 | C | C | . | . | trans | -68.1 | 157.9 | 166.8 | -71 | -63 | -170.9 | -179.3 | 0 | 111.3 | G674 Y675 D676 G808 D813 H842 L843 A844 | G674-K840 PolarHBondContact O-NZ 3.26Å; Y675-K840 HydrophobicContact CD1-CD 4.14Å; Y675-K840 HydrophobicContact CD1-CG 4.07Å; Y675-K840 HydrophobicContact CE1-CG 4.29Å; D676-K840 VanDerWaalsContact OD2-CA 3.26Å; D676-K840 WeakPolarHBondContact OD2-CA 3.48Å; D676-K840 WeakPolarHBondContact OD2-CD 3.31Å; G808-K840 VanDerWaalsContact O-CE 3.23Å; G808-K840 WeakPolarHBondContact O-CE 3.24Å; G808-K840 PolarHBondContact O-NZ 3.22Å; D813-K840 PolarHBondContact O-N 3.42Å; K840-H842 PolarHBondContact O-N 2.65Å; K840-H842 VanDerWaalsContact O-N 3.08Å; K840-L843 PolarHBondContact O-N 3.05Å; K840-A844 PolarHBondContact O-N 2.79Å | ||
| 841 | A | 98 | Very high | 96.1 | Very high | 61 Ų | 61 | 17.3 Ų | 17.3 | 50% | 0.504 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -33.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | D676 L843 A844 | D676-A841 HydrophobicContact CB-CB 3.97Å; D676-A841 PolarHBondContact OD2-N 3.21Å; A841-L843 VanDerWaalsContact C-N 3.33Å; A841-L843 PolarHBondContact O-N 3.18Å; A841-A844 PolarHBondContact O-N 3.05Å |
| 842 | H | 97.8 | Very high | 95.6 | Very high | 62 Ų | 62 | 19.5 Ų | 19.5 | 29% | 0.287 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -20.6 | 179.4 | 65.2 | -78.7 | 0 | 0 | 0 | 113.8 | Y699 Q790 D813 K840 F846 | Y699-H842 AromaticContact CE1-CD2 3.93Å; Y699-H842 HydrophobicContact CE2-CB 4.14Å; Y699-H842 AromaticContact CE2-CD2 3.74Å; Y699-H842 AromaticContact CZ-CD2 3.62Å; Q790-H842 PolarHBondContact OE1-NE2 3.2Å; D813-H842 IonicContact OD1-CE1 2.67Å; D813-H842 PolarHBondContact OD1-CE1 2.88Å; D813-H842 VanDerWaalsContact OD1-CE1 3.32Å; D813-H842 IonicContact OD1-NE2 3.49Å; K840-H842 PolarHBondContact O-N 2.65Å; K840-H842 VanDerWaalsContact O-N 3.08Å; H842-F846 WeakPolarHBondContact O-CD2 3.44Å; H842-F846 VanDerWaalsContact O-CE2 3.22Å; H842-F846 WeakPolarHBondContact O-CE2 3.5Å |
| 843 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -18.1 | 175.2 | -67.1 | -174.3 | 0 | 0 | 0 | 112.8 | I696 Y699 D813 V814 V839 K840 A841 P845 F846 V847 | I696-L843 HydrophobicContact CG1-CD1 4.13Å; Y699-L843 VanDerWaalsContact CB-CD2 3.5Å; Y699-L843 HydrophobicContact CD1-CD2 3.94Å; Y699-L843 HydrophobicContact CD2-CD2 4.24Å; Y699-L843 HydrophobicContact CG-CD2 3.63Å; D813-L843 HydrophobicContact CB-CD1 3.82Å; V814-L843 HydrophobicContact CB-CD1 3.94Å; V814-L843 HydrophobicContact CG1-CD1 3.94Å; V839-L843 HydrophobicContact CB-CB 3.96Å; V839-L843 HydrophobicContact CG1-CB 4.35Å; K840-L843 PolarHBondContact O-N 3.05Å; A841-L843 VanDerWaalsContact C-N 3.33Å; A841-L843 PolarHBondContact O-N 3.18Å; L843-P845 VanDerWaalsContact C-CD 3.46Å; L843-F846 PolarHBondContact O-N 3.47Å; L843-V847 PolarHBondContact O-N 3.32Å |
| 844 | A | 96.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 26 Ų | 26 | 12% | 0.124 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -53.7 | -39.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A677 V839 K840 A841 F846 T860 | A677-A844 HydrophobicContact CB-CB 3.87Å; V839-A844 HydrophobicContact CG2-CB 4.1Å; K840-A844 PolarHBondContact O-N 2.79Å; A841-A844 PolarHBondContact O-N 3.05Å; A844-F846 PolarHBondContact O-N 3.49Å; A844-F846 VanDerWaalsContact O-N 3.15Å; A844-T860 VanDerWaalsContact O-CG2 3.28Å; A844-T860 WeakPolarHBondContact O-CG2 3.49Å |
| 845 | P | 95.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 27 Ų | 27 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -70.6 | -2.9 | 176.4 | -20.3 | 34.7 | 0 | 0 | 0 | 115.4 | L843 T860 Q862 | L843-P845 VanDerWaalsContact C-CD 3.46Å; P845-T860 WeakPolarHBondContact O-CG2 3.23Å; P845-Q862 PolarHBondContact O-NE2 3.28Å |
| 846 | F | 96.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -121.6 | -1.2 | -171.5 | -54.5 | -72.3 | 0 | 0 | 0 | 114.3 | A695 H698 Y699 S702 H842 L843 A844 | A695-F846 WeakPolarHBondContact CA-O 3.5Å; A695-F846 HydrophobicContact CB-CB 4.32Å; A695-F846 WeakPolarHBondContact O-CB 3.42Å; H698-F846 HydrophobicContact CB-CB 4.02Å; H698-F846 HydrophobicContact CB-CD1 3.88Å; H698-F846 HydrophobicContact CB-CG 4.29Å; Y699-F846 HydrophobicContact CD2-CD2 4.13Å; Y699-F846 AromaticContact CD2-CE2 3.7Å; Y699-F846 HydrophobicContact CD2-CE2 3.7Å; Y699-F846 HydrophobicContact CD2-CZ 4.4Å; Y699-F846 HydrophobicContact CG-CE2 4.45Å; S702-F846 VanDerWaalsContact OG-CZ 3.3Å; S702-F846 WeakPolarHBondContact OG-CZ 3.48Å; H842-F846 WeakPolarHBondContact O-CD2 3.44Å; H842-F846 VanDerWaalsContact O-CE2 3.22Å; H842-F846 WeakPolarHBondContact O-CE2 3.5Å; L843-F846 PolarHBondContact O-N 3.47Å; A844-F846 PolarHBondContact O-N 3.49Å; A844-F846 VanDerWaalsContact O-N 3.15Å |
| 847 | V | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -64.3 | 162.9 | 172.6 | -58 | 0 | 0 | 0 | 0 | 111.1 | C679 A695 I837 V839 L843 L859 T860 | C679-V847 HydrophobicContact CB-CB 3.89Å; C679-V847 HydrophobicContact CB-CG1 4.3Å; C679-V847 HydrophobicContact CB-CG2 3.88Å; A695-V847 HydrophobicContact CB-CG1 4.35Å; I837-V847 HydrophobicContact CD1-CB 4.2Å; I837-V847 HydrophobicContact CD1-CG1 3.87Å; V839-V847 HydrophobicContact CB-CG1 4.43Å; V839-V847 HydrophobicContact CG1-CG1 3.78Å; V839-V847 HydrophobicContact CG2-CG1 3.85Å; L843-V847 PolarHBondContact O-N 3.32Å; V847-L859 HydrophobicContact CG2-CB 3.65Å; V847-L859 HydrophobicContact CG2-CD1 3.74Å; V847-L859 HydrophobicContact CG2-CG 4.35Å; V847-T860 HydrophobicContact CG2-CG2 3.65Å; V847-T860 WeakPolarHBondContact O-CB 3.34Å; V847-T860 WeakPolarHBondContact O-CG2 3.38Å; V847-T860 PolarHBondContact O-OG1 3.19Å |
| 848 | P | 93.2 | Very high | 90 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -59.7 | 145 | 177.5 | -27.1 | 36.6 | 0 | 0 | 0 | 113.9 | A691 V865 | A691-P848 HydrophobicContact CB-CG 3.69Å; P848-V865 HydrophobicContact CB-CG1 4Å; P848-V865 HydrophobicContact CB-CG2 4.11Å; P848-V865 HydrophobicContact CG-CB 4.42Å; P848-V865 HydrophobicContact CG-CG1 3.58Å; P848-V865 HydrophobicContact CG-CG2 4Å |
| 849 | G | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -110.3 | -155.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q681 T860 Q862 G863 | Q681-G849 PolarHBondContact NE2-O 3.17Å; Q681-G849 PolarHBondContact OE1-O 3.43Å; G849-T860 PolarHBondContact N-OG1 3.19Å; G849-Q862 PolarHBondContact N-O 3.01Å; G849-G863 CarbonylContact C-O 3.47Å; G849-G863 VanDerWaalsContact CA-O 3.31Å; G849-G863 WeakPolarHBondContact CA-O 3.36Å; G849-G863 PolarHBondContact N-O 3.46Å | ||
| 850 | H | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | trans | -154.2 | 136 | 172.4 | -163.8 | -92.8 | 0 | 0 | 0 | 110.2 | F649 V852 A867 P869 | F649-H850 AromaticContact CE1-CE1 3.66Å; H850-V852 PolarHBondContact ND1-N 2.9Å; H850-A867 PolarHBondContact NE2-O 2.9Å; H850-P869 HydrophobicContact CB-CB 4.13Å | ||
| 851 | S | 86.5 | Confident | 87.1 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -79.9 | -27 | -175.3 | 55.5 | 0 | 0 | 0 | 0 | 115.3 | D298 | D298-S851 VanDerWaalsContact CG-OG 3.26Å; D298-S851 WeakPolarHBondContact OD2-CB 3.32Å; D298-S851 PolarHBondContact OD2-N 3.33Å; D298-S851 PolarHBondContact OD2-OG 3.07Å |
| 852 | V | 85.5 | Confident | 86.3 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -80 | -46.1 | -171.9 | -177.5 | 0 | 0 | 0 | 0 | 113.3 | M200 P294 Q295 F649 H850 | M200-V852 HydrophobicContact CE-CG1 3.73Å; M200-V852 HydrophobicContact CE-CG2 4.21Å; P294-V852 HydrophobicContact CB-CG2 4.14Å; P294-V852 HydrophobicContact CG-CG2 3.87Å; Q295-V852 HydrophobicContact CB-CG2 4.04Å; F649-V852 HydrophobicContact CB-CG1 4.29Å; F649-V852 HydrophobicContact CD1-CB 4.43Å; F649-V852 HydrophobicContact CD1-CG1 4.03Å; F649-V852 HydrophobicContact CD2-CG1 4.15Å; F649-V852 HydrophobicContact CE1-CB 4.46Å; F649-V852 HydrophobicContact CE1-CG1 4.42Å; F649-V852 HydrophobicContact CG-CG1 3.9Å; H850-V852 PolarHBondContact ND1-N 2.9Å |
| 853 | V | 79.9 | Confident | 85.9 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | trans | -111.2 | 123.9 | -173.5 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | F649 P652 I855 | F649-V853 HydrophobicContact CB-CG2 4.09Å; F649-V853 HydrophobicContact CD1-CG2 3.55Å; F649-V853 HydrophobicContact CE1-CG2 4.46Å; F649-V853 HydrophobicContact CG-CG2 4.22Å; P652-V853 HydrophobicContact CG-CG1 4.31Å; V853-I855 HydrophobicContact CG1-CD1 4.06Å; V853-I855 HydrophobicContact CG1-CG1 3.68Å | ||
| 854 | Q | 78.2 | Confident | 85.7 | Confident | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | trans | -102 | 105.3 | 174.8 | -61 | -170.1 | 11.4 | 0 | 0 | 109 | ||||
| 855 | I | 80.8 | Confident | 85.8 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | trans | -106.9 | 131.1 | 176.4 | -51.7 | 175.8 | 0 | 0 | 0 | 107.7 | P652 V853 M858 F870 | P652-I855 HydrophobicContact CB-CG1 4.43Å; P652-I855 HydrophobicContact CG-CG1 4.16Å; V853-I855 HydrophobicContact CG1-CD1 4.06Å; V853-I855 HydrophobicContact CG1-CG1 3.68Å; I855-M858 HydrophobicContact CB-CG 3.79Å; I855-M858 WeakPolarHBondContact O-CG 3.42Å; I855-M858 PolarHBondContact O-N 3.19Å; I855-F870 HydrophobicContact CD1-CE2 3.52Å; I855-F870 HydrophobicContact CD1-CZ 3.79Å | ||
| 856 | E | 78 | Confident | 85.9 | Confident | 197 Ų | 197 | 47 Ų | 47 | 92% | 0.921 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 136.7 | 173.9 | -170.8 | 174.4 | -175.3 | 0 | 0 | 110 | M858 | E856-M858 VanDerWaalsContact C-N 3.35Š|
| 857 | G | 73.1 | Confident | 86 | Confident | 74 Ų | 74 | 45.7 Ų | 45.7 | 76% | 0.763 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -3.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L859 | G857-L859 PolarHBondContact O-N 2.73Š|
| 858 | M | 78.8 | Confident | 86 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | trans | -58.8 | 134.8 | 166.8 | -76.6 | -70.6 | -73.7 | 0 | 0 | 110.3 | I855 E856 T860 F870 | I855-M858 HydrophobicContact CB-CG 3.79Å; I855-M858 WeakPolarHBondContact O-CG 3.42Å; I855-M858 PolarHBondContact O-N 3.19Å; E856-M858 VanDerWaalsContact C-N 3.35Å; M858-T860 VanDerWaalsContact C-N 3.29Å; M858-T860 PolarHBondContact O-N 3.3Å; M858-F870 HydrophobicContact SD-CE1 3.84Å; M858-F870 HydrophobicContact SD-CZ 3.83Å | ||
| 859 | L | 76.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -59.5 | -39.4 | -172.7 | -65.7 | 172.3 | 0 | 0 | 0 | 112.5 | A677 V847 G857 | A677-L859 HydrophobicContact CB-CD1 3.92Å; A677-L859 HydrophobicContact CB-CD2 3.93Å; V847-L859 HydrophobicContact CG2-CB 3.65Å; V847-L859 HydrophobicContact CG2-CD1 3.74Å; V847-L859 HydrophobicContact CG2-CG 4.35Å; G857-L859 PolarHBondContact O-N 2.73Å |
| 860 | T | 81.7 | Confident | 86.4 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | trans | -149.4 | 176.5 | -177.3 | 89.6 | 0 | 0 | 0 | 0 | 112.4 | A844 P845 V847 G849 M858 Q862 | A844-T860 VanDerWaalsContact O-CG2 3.28Å; A844-T860 WeakPolarHBondContact O-CG2 3.49Å; P845-T860 WeakPolarHBondContact O-CG2 3.23Å; V847-T860 HydrophobicContact CG2-CG2 3.65Å; V847-T860 WeakPolarHBondContact O-CB 3.34Å; V847-T860 WeakPolarHBondContact O-CG2 3.38Å; V847-T860 PolarHBondContact O-OG1 3.19Å; G849-T860 PolarHBondContact N-OG1 3.19Å; M858-T860 VanDerWaalsContact C-N 3.29Å; M858-T860 PolarHBondContact O-N 3.3Å; T860-Q862 PolarHBondContact OG1-N 3.07Å; T860-Q862 VanDerWaalsContact OG1-N 3.16Å | ||
| 861 | R | 77.2 | Confident | 86.7 | Confident | 164 Ų | 164 | 46.1 Ų | 46.1 | 62% | 0.619 | 25% | 0.25 | S | C | * | . | trans | -126.5 | 22.9 | 166.8 | -58.3 | -177.2 | -178.5 | -163.2 | -5.3 | 111.7 | G863 | R861-G863 PolarHBondContact O-N 3.26Š| ||
| 862 | Q | 79.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -87.1 | 97.3 | -173.8 | -68.8 | -173.1 | 3.2 | 0 | 0 | 110.9 | H698 P845 G849 T860 | H698-Q862 PolarHBondContact CD2-OE1 2.9Å; P845-Q862 PolarHBondContact O-NE2 3.28Å; G849-Q862 PolarHBondContact N-O 3.01Å; T860-Q862 PolarHBondContact OG1-N 3.07Å; T860-Q862 VanDerWaalsContact OG1-N 3.16Å |
| 863 | G | 89.9 | Confident | 87.8 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | trans | 56.3 | -176.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T302 G849 R861 | T302-G863 WeakPolarHBondContact OG1-CA 3.32Å; G849-G863 CarbonylContact C-O 3.47Å; G849-G863 VanDerWaalsContact CA-O 3.31Å; G849-G863 WeakPolarHBondContact CA-O 3.36Å; G849-G863 PolarHBondContact N-O 3.46Å; R861-G863 PolarHBondContact O-N 3.26Å | ||
| 864 | A | 95.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | trans | -136.7 | 145.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D298 V299 T302 | D298-A864 HydrophobicContact CB-CB 4.15Å; V299-A864 WeakPolarHBondContact CA-O 3.32Å; V299-A864 HydrophobicContact CG2-CB 3.95Å; T302-A864 WeakPolarHBondContact CB-O 3.38Å; T302-A864 PolarHBondContact OG1-N 3.21Å; T302-A864 VanDerWaalsContact OG1-N 3.11Å; T302-A864 PolarHBondContact OG1-O 3.44Å | ||
| 865 | V | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -102.2 | -22.3 | 172.7 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | T265 Q681 P682 Q687 Y690 A691 L694 P848 | T265-V865 VanDerWaalsContact CG2-O 3.31Å; T265-V865 WeakPolarHBondContact CG2-O 3.3Å; Q681-V865 HydrophobicContact CG-CG2 4.07Å; P682-V865 HydrophobicContact CB-CG2 4.36Å; P682-V865 HydrophobicContact CG-CG2 4.15Å; Q687-V865 PolarHBondContact NE2-O 3.43Å; Y690-V865 HydrophobicContact CD1-CB 4.3Å; Y690-V865 HydrophobicContact CD1-CG1 3.84Å; Y690-V865 HydrophobicContact CE1-CB 4.42Å; Y690-V865 HydrophobicContact CE1-CG1 3.8Å; A691-V865 HydrophobicContact CB-CG1 4.28Å; A691-V865 HydrophobicContact CB-CG2 4.23Å; L694-V865 HydrophobicContact CD1-CG1 3.74Å; P848-V865 HydrophobicContact CB-CG1 4Å; P848-V865 HydrophobicContact CB-CG2 4.11Å; P848-V865 HydrophobicContact CG-CB 4.42Å; P848-V865 HydrophobicContact CG-CG1 3.58Å; P848-V865 HydrophobicContact CG-CG2 4Å |
| 866 | S | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -131.1 | 158.4 | -179.9 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | Q681 N683 A868 | Q681-S866 PolarHBondContact O-OG 2.69Å; N683-S866 PolarHBondContact OD1-OG 3.23Å; S866-A868 VanDerWaalsContact C-N 3.28Å; S866-A868 PolarHBondContact O-N 3.14Å |
| 867 | A | 98 | Very high | 91.5 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -67.4 | -23.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y202 D262 A264 Q295 H850 | Y202-A867 WeakPolarHBondContact OH-CB 3.29Å; D262-A867 HydrophobicContact CB-CB 3.89Å; D262-A867 PolarHBondContact OD2-N 2.78Å; A264-A867 HydrophobicContact CB-CB 3.59Å; Q295-A867 WeakPolarHBondContact CB-O 3.26Å; Q295-A867 HydrophobicContact CG-CB 4.24Å; Q295-A867 WeakPolarHBondContact CG-O 3.44Å; H850-A867 PolarHBondContact NE2-O 2.9Å |
| 868 | A | 97.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -118.3 | 147.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G393 P648 S866 F870 G871 | G393-A868 VanDerWaalsContact CA-CB 3.46Å; P648-A868 HydrophobicContact CB-CB 4.28Å; S866-A868 VanDerWaalsContact C-N 3.28Å; S866-A868 PolarHBondContact O-N 3.14Å; A868-F870 PolarHBondContact O-N 3.03Å; A868-F870 VanDerWaalsContact O-N 3.13Å; A868-G871 PolarHBondContact O-N 2.89Å; A868-G871 VanDerWaalsContact O-N 3.11Å |
| 869 | P | 94.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.013 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.4 | -173 | 21.9 | -33.6 | 0 | 0 | 0 | 113.9 | Q681 H850 | Q681-P869 WeakPolarHBondContact CB-O 3.39Å; H850-P869 HydrophobicContact CB-CB 4.13Å |
| 870 | F | 96.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 15.1 Ų | 15.1 | 9% | 0.092 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 25.1 | 179.2 | -57.8 | -69.2 | 0 | 0 | 0 | 112.6 | Y392 I662 M680 M834 I855 M858 A868 S872 A873 | Y392-F870 HydrophobicContact CE1-CD2 4.09Å; Y392-F870 HydrophobicContact CE1-CE2 4.45Å; I662-F870 HydrophobicContact CD1-CB 4.13Å; I662-F870 HydrophobicContact CD1-CD1 4.08Å; I662-F870 HydrophobicContact CD1-CD2 3.95Å; I662-F870 HydrophobicContact CD1-CE1 4.47Å; I662-F870 HydrophobicContact CD1-CE2 4.35Å; I662-F870 HydrophobicContact CD1-CG 3.79Å; I662-F870 HydrophobicContact CG2-CD1 4.23Å; I662-F870 HydrophobicContact CG2-CE1 4.2Å; M680-F870 HydrophobicContact CB-CD1 4.08Å; M680-F870 CarbonylContact O-C 3.51Å; M834-F870 WeakPolarHBondContact CE-O 3.19Å; I855-F870 HydrophobicContact CD1-CE2 3.52Å; I855-F870 HydrophobicContact CD1-CZ 3.79Å; M858-F870 HydrophobicContact SD-CE1 3.84Å; M858-F870 HydrophobicContact SD-CZ 3.83Å; A868-F870 PolarHBondContact O-N 3.03Å; A868-F870 VanDerWaalsContact O-N 3.13Å; F870-S872 PolarHBondContact O-N 2.92Å; F870-A873 HydrophobicContact CB-CB 4.17Å |
| 871 | G | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 55.5 | -123.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G393 Q681 A868 A873 | G393-G871 CarbonylContact C-O 3.46Å; G393-G871 VanDerWaalsContact C-O 3.3Å; G393-G871 WeakPolarHBondContact CA-O 3.34Å; Q681-G871 WeakPolarHBondContact O-CA 3.5Å; Q681-G871 PolarHBondContact O-N 3.43Å; A868-G871 PolarHBondContact O-N 2.89Å; A868-G871 VanDerWaalsContact O-N 3.11Å; G871-A873 PolarHBondContact O-N 2.95Å |
| 872 | S | 98.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.014 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -89.8 | 68.3 | 179.1 | -52 | 0 | 0 | 0 | 0 | 111.4 | G394 P395 M834 F870 S874 I875 | G394-S872 CarbonylContact O-C 3.5Å; P395-S872 WeakPolarHBondContact CA-OG 3.26Å; M834-S872 PolarHBondContact SD-N 3.35Å; F870-S872 PolarHBondContact O-N 2.92Å; S872-S874 VanDerWaalsContact C-N 3.29Å; S872-S874 PolarHBondContact O-N 2.83Å; S872-I875 WeakPolarHBondContact O-CG1 3.3Å; S872-I875 PolarHBondContact O-N 3.14Å |
| 873 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -61.6 | -30.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y392 Y658 F870 G871 I875 L876 P877 | Y392-A873 HydrophobicContact CD1-CB 4.06Å; Y392-A873 WeakPolarHBondContact O-CB 3.27Å; Y658-A873 HydrophobicContact CD1-CB 4.29Å; Y658-A873 HydrophobicContact CE1-CB 3.84Å; F870-A873 HydrophobicContact CB-CB 4.17Å; G871-A873 PolarHBondContact O-N 2.95Å; A873-I875 PolarHBondContact O-N 3.4Å; A873-L876 WeakPolarHBondContact O-CB 3.48Å; A873-L876 PolarHBondContact O-N 2.64Å; A873-P877 WeakPolarHBondContact O-CD 3.32Å |
| 874 | S | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 5.1 Ų | 5.1 | 7% | 0.07 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -65.9 | -15.2 | -178.6 | 64.2 | 0 | 0 | 0 | 0 | 115.8 | G391 G394 P395 I638 S872 P877 | G391-S874 WeakPolarHBondContact O-CB 3.38Å; G391-S874 PolarHBondContact O-N 2.95Å; G394-S874 PolarHBondContact O-OG 3.48Å; P395-S874 WeakPolarHBondContact CD-OG 3.3Å; I638-S874 WeakPolarHBondContact CG2-O 3.41Å; S872-S874 VanDerWaalsContact C-N 3.29Å; S872-S874 PolarHBondContact O-N 2.83Å; S874-P877 WeakPolarHBondContact O-CD 3.29Å |
| 875 | I | 98.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 5.1 Ų | 5.1 | 3% | 0.031 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -100.9 | -6.6 | 176.9 | 56.1 | 171.5 | 0 | 0 | 0 | 113.4 | P395 I638 I825 P832 M834 S872 A873 P877 I878 | P395-I875 HydrophobicContact CG-CD1 4.29Å; P395-I875 HydrophobicContact CG-CG2 4.08Å; I638-I875 HydrophobicContact CG2-CG2 4.44Å; I825-I875 HydrophobicContact CD1-CB 4.21Å; I825-I875 HydrophobicContact CD1-CD1 4Å; I825-I875 HydrophobicContact CD1-CG1 4.02Å; I825-I875 WeakPolarHBondContact CD1-O 3.44Å; I825-I875 HydrophobicContact CG2-CD1 3.95Å; P832-I875 HydrophobicContact CB-CD1 3.79Å; P832-I875 HydrophobicContact CG-CD1 3.88Å; M834-I875 HydrophobicContact CG-CD1 3.96Å; M834-I875 HydrophobicContact CG-CG1 4.11Å; S872-I875 WeakPolarHBondContact O-CG1 3.3Å; S872-I875 PolarHBondContact O-N 3.14Å; A873-I875 PolarHBondContact O-N 3.4Å; I875-P877 VanDerWaalsContact C-N 3.34Å; I875-I878 HydrophobicContact CB-CD1 4.08Å; I875-I878 HydrophobicContact CG2-CD1 4.28Å; I875-I878 WeakPolarHBondContact O-CB 3.29Å; I875-I878 PolarHBondContact O-N 3.08Å |
| 876 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -60.8 | -32.4 | 170.5 | -62.1 | 179.8 | 0 | 0 | 0 | 114.3 | M661 I662 L665 L819 M834 A873 I878 S879 W880 | M661-L876 HydrophobicContact CE-CB 3.93Å; M661-L876 HydrophobicContact SD-CB 3.98Å; I662-L876 HydrophobicContact CD1-CD1 4.31Å; I662-L876 HydrophobicContact CG1-CD1 3.91Å; L665-L876 HydrophobicContact CD2-CB 4.03Å; L665-L876 HydrophobicContact CD2-CD2 4.12Å; L819-L876 HydrophobicContact CD1-CD2 3.65Å; M834-L876 HydrophobicContact CB-CD2 4.45Å; M834-L876 HydrophobicContact CE-CD2 3.92Å; M834-L876 HydrophobicContact CE-CG 4.49Å; M834-L876 HydrophobicContact CG-CD2 4.09Å; A873-L876 WeakPolarHBondContact O-CB 3.48Å; A873-L876 PolarHBondContact O-N 2.64Å; L876-I878 PolarHBondContact O-N 3.42Å; L876-I878 VanDerWaalsContact O-N 3.13Å; L876-S879 PolarHBondContact O-N 2.83Å; L876-W880 PolarHBondContact O-N 2.84Å; L876-W880 VanDerWaalsContact O-N 3.09Å |
| 877 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -50.9 | -30.5 | 170.7 | -32.6 | 38.6 | 0 | 0 | 0 | 115.1 | L184 P637 F643 M661 A873 S874 I875 W880 M881 | L184-P877 HydrophobicContact CD2-CB 4.03Å; P637-P877 HydrophobicContact CB-CB 3.94Å; F643-P877 HydrophobicContact CD1-CG 4.49Å; F643-P877 HydrophobicContact CD2-CG 3.94Å; F643-P877 HydrophobicContact CE1-CG 4.46Å; F643-P877 HydrophobicContact CE2-CB 4.37Å; F643-P877 HydrophobicContact CE2-CG 3.9Å; F643-P877 HydrophobicContact CG-CG 4.24Å; F643-P877 HydrophobicContact CZ-CG 4.16Å; M661-P877 HydrophobicContact CE-CG 4.01Å; A873-P877 WeakPolarHBondContact O-CD 3.32Å; S874-P877 WeakPolarHBondContact O-CD 3.29Å; I875-P877 VanDerWaalsContact C-N 3.34Å; P877-W880 PolarHBondContact O-N 2.66Å; P877-M881 WeakPolarHBondContact O-CB 3.2Å; P877-M881 VanDerWaalsContact O-CG 3.24Å; P877-M881 WeakPolarHBondContact O-CG 3.09Å; P877-M881 PolarHBondContact O-N 2.72Å |
| 878 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.7 | -53.4 | 179.1 | -65.1 | 162.9 | 0 | 0 | 0 | 110.3 | E634 M635 I638 C824 I825 P826 I875 L876 W880 M881 Y882 | E634-I878 HydrophobicContact CB-CB 4.45Å; E634-I878 HydrophobicContact CB-CG2 3.92Å; E634-I878 VanDerWaalsContact O-CG1 3.26Å; E634-I878 WeakPolarHBondContact O-CG1 3.2Å; M635-I878 HydrophobicContact SD-CD1 3.66Å; M635-I878 HydrophobicContact SD-CG1 4.14Å; I638-I878 HydrophobicContact CG2-CD1 3.72Å; I638-I878 HydrophobicContact CG2-CG1 3.66Å; C824-I878 VanDerWaalsContact C-CG2 3.46Å; C824-I878 HydrophobicContact CB-CG2 4.11Å; C824-I878 VanDerWaalsContact O-CG2 3.3Å; C824-I878 WeakPolarHBondContact O-CG2 3.17Å; I825-I878 HydrophobicContact CG1-CB 4.05Å; I825-I878 HydrophobicContact CG1-CD1 4.22Å; I825-I878 HydrophobicContact CG1-CG2 4.12Å; P826-I878 HydrophobicContact CG-CD1 4.48Å; I875-I878 HydrophobicContact CB-CD1 4.08Å; I875-I878 HydrophobicContact CG2-CD1 4.28Å; I875-I878 WeakPolarHBondContact O-CB 3.29Å; I875-I878 PolarHBondContact O-N 3.08Å; L876-I878 PolarHBondContact O-N 3.42Å; L876-I878 VanDerWaalsContact O-N 3.13Å; I878-W880 VanDerWaalsContact C-N 3.31Å; I878-W880 PolarHBondContact O-N 2.82Å; I878-M881 PolarHBondContact O-N 3.32Å; I878-Y882 PolarHBondContact O-N 3.27Å |
| 879 | S | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.7 | -32.2 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | F823 L876 I883 | F823-S879 WeakPolarHBondContact CB-OG 3.41Å; F823-S879 WeakPolarHBondContact O-CA 3.11Å; F823-S879 WeakPolarHBondContact O-CB 3.4Å; F823-S879 PolarHBondContact O-OG 2.86Å; L876-S879 PolarHBondContact O-N 2.83Å; S879-I883 WeakPolarHBondContact O-CG1 3.47Å; S879-I883 PolarHBondContact O-N 2.9Å; S879-I883 VanDerWaalsContact O-N 3.09Å |
| 880 | W | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 172.4 | -173.9 | 102.4 | 0 | 0 | 0 | 110.9 | E183 L184 I187 M661 W668 L876 P877 I878 I883 R884 | E183-W880 HydrophobicContact CB-CH2 4.23Å; E183-W880 HydrophobicContact CG-CH2 3.89Å; E183-W880 HydrophobicContact CG-CZ2 4.39Å; L184-W880 HydrophobicContact CB-CE3 4.18Å; L184-W880 HydrophobicContact CB-CH2 4.21Å; L184-W880 HydrophobicContact CB-CZ3 3.72Å; L184-W880 HydrophobicContact CD1-CD2 4.08Å; L184-W880 HydrophobicContact CD1-CE3 3.91Å; L184-W880 HydrophobicContact CD1-CZ3 4.2Å; L184-W880 HydrophobicContact CD2-CE3 4.18Å; L184-W880 HydrophobicContact CD2-CZ3 4.49Å; L184-W880 HydrophobicContact CG-CE3 4.31Å; L184-W880 HydrophobicContact CG-CZ3 4.35Å; I187-W880 HydrophobicContact CD1-CH2 4.4Å; I187-W880 HydrophobicContact CD1-CZ2 3.77Å; M661-W880 HydrophobicContact CG-CB 4.3Å; M661-W880 HydrophobicContact CG-CG 3.96Å; M661-W880 HydrophobicContact SD-CB 4.31Å; W668-W880 AromaticContact CH2-CD1 3.94Å; W668-W880 HydrophobicContact CH2-CD2 4.09Å; W668-W880 AromaticContact CH2-CE2 3.55Å; W668-W880 HydrophobicContact CH2-CG 4.3Å; W668-W880 AromaticContact CH2-CZ2 3.89Å; W668-W880 HydrophobicContact CH2-CZ2 3.89Å; W668-W880 AromaticContact CH2-NE1 3.49Å; W668-W880 HydrophobicContact CZ3-CB 4.43Å; W668-W880 AromaticContact CZ3-CD1 3.44Å; W668-W880 VanDerWaalsContact CZ3-CD1 3.44Å; W668-W880 AromaticContact CZ3-CD2 3.94Å; W668-W880 HydrophobicContact CZ3-CD2 3.94Å; W668-W880 AromaticContact CZ3-CE2 3.8Å; W668-W880 AromaticContact CZ3-CG 3.71Å; W668-W880 HydrophobicContact CZ3-CG 3.71Å; W668-W880 AromaticContact CZ3-NE1 3.5Å; L876-W880 PolarHBondContact O-N 2.84Å; L876-W880 VanDerWaalsContact O-N 3.09Å; P877-W880 PolarHBondContact O-N 2.66Å; I878-W880 VanDerWaalsContact C-N 3.31Å; I878-W880 PolarHBondContact O-N 2.82Å; W880-I883 PolarHBondContact O-N 2.86Å; W880-R884 HydrophobicContact CE3-CB 4.11Å; W880-R884 HydrophobicContact CH2-CB 4.17Å; W880-R884 HydrophobicContact CH2-CG 3.77Å; W880-R884 HydrophobicContact CZ2-CG 4.46Å; W880-R884 HydrophobicContact CZ3-CB 3.87Å; W880-R884 HydrophobicContact CZ3-CG 3.81Å; W880-R884 WeakPolarHBondContact O-CB 3.26Å; W880-R884 PolarHBondContact O-N 2.75Å |
| 881 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 177.5 | -77.7 | -65.4 | -63.8 | 0 | 0 | 111.1 | A180 L181 L184 A633 E634 P637 P877 I878 I883 R884 M885 | A180-M881 HydrophobicContact CB-CE 3.63Å; A180-M881 HydrophobicContact CB-SD 3.87Å; L181-M881 HydrophobicContact CB-CE 4.48Å; L181-M881 HydrophobicContact CD2-CE 3.75Å; L181-M881 HydrophobicContact CD2-SD 4.37Å; L181-M881 HydrophobicContact CG-CE 3.7Å; L184-M881 HydrophobicContact CB-SD 4.17Å; L184-M881 HydrophobicContact CD2-CG 3.71Å; L184-M881 HydrophobicContact CD2-SD 3.72Å; A633-M881 HydrophobicContact CB-CE 4.22Å; A633-M881 WeakPolarHBondContact O-CE 3.42Å; E634-M881 HydrophobicContact CB-CB 4.11Å; E634-M881 HydrophobicContact CG-CB 3.89Å; P637-M881 HydrophobicContact CG-CG 4.26Å; P877-M881 WeakPolarHBondContact O-CB 3.2Å; P877-M881 VanDerWaalsContact O-CG 3.24Å; P877-M881 WeakPolarHBondContact O-CG 3.09Å; P877-M881 PolarHBondContact O-N 2.72Å; I878-M881 PolarHBondContact O-N 3.32Å; M881-I883 PolarHBondContact O-N 2.87Å; M881-R884 PolarHBondContact O-N 2.89Å; M881-M885 HydrophobicContact CB-CE 4.13Å; M881-M885 HydrophobicContact CE-CE 4.19Å; M881-M885 HydrophobicContact CE-CG 4.39Å; M881-M885 HydrophobicContact CE-SD 3.76Å; M881-M885 WeakPolarHBondContact O-CB 3.38Å; M881-M885 WeakPolarHBondContact O-CE 3.35Å; M881-M885 VanDerWaalsContact O-CG 3.25Å; M881-M885 WeakPolarHBondContact O-CG 3.32Å; M881-M885 PolarHBondContact O-N 3.12Å |
| 882 | Y | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.5 | -54.2 | 177.7 | 171.8 | -116.1 | 0 | 0 | 0 | 112.1 | F127 H131 E634 F823 C824 I878 R884 M885 M886 L891 | F127-Y882 HydrophobicContact CE1-CD2 4.34Å; H131-Y882 AromaticContact CE1-CE2 3.58Å; H131-Y882 AromaticContact ND1-CE2 3.95Å; H131-Y882 AromaticContact NE2-CE2 3.62Å; E634-Y882 WeakPolarHBondContact OE1-CA 3.5Å; E634-Y882 WeakPolarHBondContact OE1-CB 3.49Å; F823-Y882 HydrophobicContact CB-CD1 4.35Å; F823-Y882 HydrophobicContact CD1-CD1 4Å; F823-Y882 AromaticContact CD1-CE1 4Å; F823-Y882 HydrophobicContact CD1-CE1 4Å; C824-Y882 HydrophobicContact CB-CG 4.41Å; C824-Y882 WeakPolarHBondContact SG-CD2 3.46Å; I878-Y882 PolarHBondContact O-N 3.27Å; Y882-R884 VanDerWaalsContact C-N 3.33Å; Y882-R884 PolarHBondContact O-N 3.1Å; Y882-M885 PolarHBondContact O-N 2.77Å; Y882-M886 HydrophobicContact CD2-CG 3.68Å; Y882-M886 HydrophobicContact CE2-CE 4.15Å; Y882-M886 HydrophobicContact CE2-CG 3.46Å; Y882-M886 VanDerWaalsContact CE2-CG 3.46Å; Y882-M886 HydrophobicContact CE2-SD 4.28Å; Y882-M886 HydrophobicContact CG-CG 4.5Å; Y882-M886 VanDerWaalsContact O-CB 3.3Å; Y882-M886 WeakPolarHBondContact O-CB 3.41Å; Y882-M886 WeakPolarHBondContact O-CG 3.43Å; Y882-M886 PolarHBondContact O-N 3.37Å; Y882-L891 HydrophobicContact CD1-CD2 4.06Å; Y882-L891 HydrophobicContact CE1-CD2 3.31Å; Y882-L891 HydrophobicContact CE2-CD2 4.35Å; Y882-L891 VanDerWaalsContact CZ-CD2 3.48Å |
| 883 | I | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | -179.3 | -68.3 | 169.9 | 0 | 0 | 0 | 110.7 | V171 L665 W668 L669 L672 F823 S879 W880 M881 G887 L891 | V171-I883 HydrophobicContact CB-CG2 4.21Å; V171-I883 HydrophobicContact CG2-CG2 4.42Å; L665-I883 HydrophobicContact CD1-CD1 3.73Å; W668-I883 HydrophobicContact CB-CD1 4.27Å; W668-I883 HydrophobicContact CB-CG2 3.98Å; W668-I883 HydrophobicContact CD2-CB 4.48Å; W668-I883 HydrophobicContact CD2-CG2 3.57Å; W668-I883 HydrophobicContact CE3-CB 3.84Å; W668-I883 HydrophobicContact CE3-CD1 4.37Å; W668-I883 HydrophobicContact CE3-CG2 3.43Å; W668-I883 VanDerWaalsContact CE3-CG2 3.43Å; W668-I883 HydrophobicContact CG-CG2 3.84Å; W668-I883 HydrophobicContact CZ3-CB 4.25Å; W668-I883 HydrophobicContact CZ3-CG2 4.09Å; L669-I883 HydrophobicContact CD2-CD1 4.06Å; L672-I883 HydrophobicContact CD1-CD1 3.98Å; L672-I883 HydrophobicContact CD1-CG1 4.34Å; F823-I883 HydrophobicContact CD1-CD1 4.09Å; F823-I883 HydrophobicContact CD1-CG1 4.19Å; F823-I883 HydrophobicContact CE1-CD1 4.25Å; F823-I883 HydrophobicContact CE1-CG1 4.49Å; S879-I883 WeakPolarHBondContact O-CG1 3.47Å; S879-I883 PolarHBondContact O-N 2.9Å; S879-I883 VanDerWaalsContact O-N 3.09Å; W880-I883 PolarHBondContact O-N 2.86Å; M881-I883 PolarHBondContact O-N 2.87Å; I883-G887 PolarHBondContact O-N 3.48Å; I883-L891 HydrophobicContact CG1-CD1 4.43Å; I883-L891 HydrophobicContact CG2-CD1 4.22Å |
| 884 | R | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 15.6 Ų | 15.6 | 22% | 0.215 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | -178.5 | -179.4 | 64.2 | -166.5 | 94.5 | -4.5 | 112.7 | A173 A175 A180 E183 W668 W880 M881 Y882 | A173-R884 PolarHBondContact O-NH1 2.88Å; A175-R884 VanDerWaalsContact CB-CZ 3.47Å; A175-R884 PolarHBondContact N-O 3.42Å; A180-R884 HydrophobicContact CB-CG 4Å; E183-R884 IonicContact OE1-NE 3.42Å; E183-R884 IonicContact OE2-CZ 3.98Å; E183-R884 IonicContact OE2-NE 3.3Å; E183-R884 PolarHBondContact OE2-NE 2.82Å; E183-R884 IonicContact OE2-NH2 2.81Å; E183-R884 PolarHBondContact OE2-NH2 3.17Å; W668-R884 HydrophobicContact CH2-CB 3.94Å; W668-R884 HydrophobicContact CH2-CG 4.5Å; W668-R884 HydrophobicContact CZ3-CB 4.32Å; W880-R884 HydrophobicContact CE3-CB 4.11Å; W880-R884 HydrophobicContact CH2-CB 4.17Å; W880-R884 HydrophobicContact CH2-CG 3.77Å; W880-R884 HydrophobicContact CZ2-CG 4.46Å; W880-R884 HydrophobicContact CZ3-CB 3.87Å; W880-R884 HydrophobicContact CZ3-CG 3.81Å; W880-R884 WeakPolarHBondContact O-CB 3.26Å; W880-R884 PolarHBondContact O-N 2.75Å; M881-R884 PolarHBondContact O-N 2.89Å; Y882-R884 VanDerWaalsContact C-N 3.33Å; Y882-R884 PolarHBondContact O-N 3.1Å |
| 885 | M | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -77.4 | -36 | -178.4 | -67.4 | -175.6 | -59.8 | 0 | 0 | 112.2 | F127 P174 A175 E177 A180 A633 E634 M881 Y882 | F127-M885 HydrophobicContact CB-CB 4.01Å; F127-M885 HydrophobicContact CD1-CB 3.38Å; F127-M885 HydrophobicContact CD1-CE 4.01Å; F127-M885 HydrophobicContact CD1-CG 4.43Å; F127-M885 HydrophobicContact CD1-SD 4.35Å; F127-M885 HydrophobicContact CD2-CE 4.02Å; F127-M885 HydrophobicContact CD2-SD 4.05Å; F127-M885 HydrophobicContact CE1-CB 4Å; F127-M885 HydrophobicContact CE1-CE 3.67Å; F127-M885 HydrophobicContact CE2-CE 3.69Å; F127-M885 HydrophobicContact CE2-SD 4.29Å; F127-M885 HydrophobicContact CG-CB 3.74Å; F127-M885 HydrophobicContact CG-CE 4.17Å; F127-M885 HydrophobicContact CG-CG 4.47Å; F127-M885 HydrophobicContact CG-SD 4.07Å; F127-M885 HydrophobicContact CZ-CE 3.5Å; F127-M885 VanDerWaalsContact CZ-CE 3.5Å; P174-M885 WeakPolarHBondContact CA-O 3.17Å; P174-M885 WeakPolarHBondContact CB-O 3.36Å; A175-M885 PolarHBondContact N-O 2.96Å; A175-M885 WeakPolarHBondContact O-CA 3.33Å; E177-M885 HydrophobicContact CB-SD 4.09Å; E177-M885 HydrophobicContact CG-SD 3.73Å; A180-M885 HydrophobicContact CB-CG 3.54Å; A180-M885 HydrophobicContact CB-SD 4.3Å; A633-M885 HydrophobicContact CB-CE 4.35Å; A633-M885 HydrophobicContact CB-SD 4.12Å; E634-M885 HydrophobicContact CG-CE 3.48Å; E634-M885 VanDerWaalsContact CG-CE 3.48Å; M881-M885 HydrophobicContact CB-CE 4.13Å; M881-M885 HydrophobicContact CE-CE 4.19Å; M881-M885 HydrophobicContact CE-CG 4.39Å; M881-M885 HydrophobicContact CE-SD 3.76Å; M881-M885 WeakPolarHBondContact O-CB 3.38Å; M881-M885 WeakPolarHBondContact O-CE 3.35Å; M881-M885 VanDerWaalsContact O-CG 3.25Å; M881-M885 WeakPolarHBondContact O-CG 3.32Å; M881-M885 PolarHBondContact O-N 3.12Å; Y882-M885 PolarHBondContact O-N 2.77Å |
| 886 | M | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -76.5 | -38.2 | 179.6 | -68.9 | -65.6 | -85.6 | 0 | 0 | 113.1 | F127 I128 H131 Y882 G890 L891 A894 | F127-M886 HydrophobicContact CD1-CG 4.01Å; F127-M886 HydrophobicContact CD1-SD 3.66Å; F127-M886 HydrophobicContact CE1-CG 3.93Å; F127-M886 HydrophobicContact CE1-SD 3.81Å; I128-M886 HydrophobicContact CG1-SD 4.07Å; H131-M886 HydrophobicContact CB-CE 4.27Å; H131-M886 HydrophobicContact CB-SD 3.92Å; Y882-M886 HydrophobicContact CD2-CG 3.68Å; Y882-M886 HydrophobicContact CE2-CE 4.15Å; Y882-M886 HydrophobicContact CE2-CG 3.46Å; Y882-M886 VanDerWaalsContact CE2-CG 3.46Å; Y882-M886 HydrophobicContact CE2-SD 4.28Å; Y882-M886 HydrophobicContact CG-CG 4.5Å; Y882-M886 VanDerWaalsContact O-CB 3.3Å; Y882-M886 WeakPolarHBondContact O-CB 3.41Å; Y882-M886 WeakPolarHBondContact O-CG 3.43Å; Y882-M886 PolarHBondContact O-N 3.37Å; M886-G890 VanDerWaalsContact CE-O 3.25Å; M886-G890 WeakPolarHBondContact CE-O 3.02Å; M886-G890 VanDerWaalsContact O-CA 3.26Å; M886-G890 WeakPolarHBondContact O-CA 3.28Å; M886-G890 PolarHBondContact O-N 3.11Å; M886-L891 HydrophobicContact CB-CD2 3.83Å; M886-L891 HydrophobicContact CB-CG 3.78Å; M886-L891 HydrophobicContact CG-CD2 4.28Å; M886-A894 HydrophobicContact CE-CB 3.77Å |
| 887 | G | 96.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | 59.5 | -176.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G172 I883 E889 L891 | G172-G887 WeakPolarHBondContact O-CA 3.38Å; I883-G887 PolarHBondContact O-N 3.48Å; G887-E889 PolarHBondContact O-N 2.85Å; G887-L891 WeakPolarHBondContact O-CB 3.36Å; G887-L891 WeakPolarHBondContact O-CG 3.27Å; G887-L891 PolarHBondContact O-N 2.98Å; G887-L891 VanDerWaalsContact O-N 3.08Å |
| 888 | A | 95.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 15.4 Ų | 15.4 | 11% | 0.107 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62 | -46 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P168 P169 V171 G172 K892 | P168-A888 HydrophobicContact CB-CB 4.11Å; P169-A888 VanDerWaalsContact O-CB 3.28Å; P169-A888 WeakPolarHBondContact O-CB 3.24Å; V171-A888 HydrophobicContact CG2-CB 4Å; G172-A888 PolarHBondContact O-N 2.87Å; A888-K892 PolarHBondContact O-N 3.03Å; A888-K892 VanDerWaalsContact O-N 3.14Å |
| 889 | E | 91.9 | Very high | 97.7 | Very high | 116 Ų | 116 | 15.4 Ų | 15.4 | 54% | 0.542 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -69 | -42.7 | -178.7 | -66.5 | -57.5 | 136.9 | 0 | 0 | 112.3 | G887 K892 K893 | G887-E889 PolarHBondContact O-N 2.85Å; E889-K892 PolarHBondContact O-N 2.91Å; E889-K893 WeakPolarHBondContact O-CB 3.41Å; E889-K893 PolarHBondContact O-N 2.77Å |
| 890 | G | 96.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | M886 K893 A894 | M886-G890 VanDerWaalsContact CE-O 3.25Å; M886-G890 WeakPolarHBondContact CE-O 3.02Å; M886-G890 VanDerWaalsContact O-CA 3.26Å; M886-G890 WeakPolarHBondContact O-CA 3.28Å; M886-G890 PolarHBondContact O-N 3.11Å; G890-K893 PolarHBondContact O-N 2.76Å; G890-A894 WeakPolarHBondContact O-CB 3.29Å; G890-A894 PolarHBondContact O-N 3.44Å |
| 891 | L | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 177.1 | -72.6 | 174.7 | 0 | 0 | 0 | 112.3 | V171 L672 V802 Y882 I883 M886 G887 A894 S895 | V171-L891 HydrophobicContact CG2-CD1 3.93Å; L672-L891 HydrophobicContact CD1-CD1 4.12Å; L672-L891 HydrophobicContact CD2-CD1 3.95Å; V802-L891 HydrophobicContact CG1-CB 3.78Å; V802-L891 HydrophobicContact CG1-CD1 4.47Å; V802-L891 HydrophobicContact CG1-CD2 4.45Å; V802-L891 HydrophobicContact CG1-CG 4.47Å; Y882-L891 HydrophobicContact CD1-CD2 4.06Å; Y882-L891 HydrophobicContact CE1-CD2 3.31Å; Y882-L891 HydrophobicContact CE2-CD2 4.35Å; Y882-L891 VanDerWaalsContact CZ-CD2 3.48Å; I883-L891 HydrophobicContact CG1-CD1 4.43Å; I883-L891 HydrophobicContact CG2-CD1 4.22Å; M886-L891 HydrophobicContact CB-CD2 3.83Å; M886-L891 HydrophobicContact CB-CG 3.78Å; M886-L891 HydrophobicContact CG-CD2 4.28Å; G887-L891 WeakPolarHBondContact O-CB 3.36Å; G887-L891 WeakPolarHBondContact O-CG 3.27Å; G887-L891 PolarHBondContact O-N 2.98Å; G887-L891 VanDerWaalsContact O-N 3.08Å; L891-A894 PolarHBondContact O-N 2.88Å; L891-S895 PolarHBondContact O-N 2.83Å |
| 892 | K | 96.5 | Very high | 97.7 | Very high | 48 Ų | 48 | 15.4 Ų | 15.4 | 21% | 0.209 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 173.7 | 177.3 | 178 | 172.3 | -175.2 | 0 | 110.9 | P168 I804 A888 E889 A894 S895 Q896 | P168-K892 HydrophobicContact CG-CD 4.02Å; I804-K892 HydrophobicContact CG1-CG 4.47Å; A888-K892 PolarHBondContact O-N 3.03Å; A888-K892 VanDerWaalsContact O-N 3.14Å; E889-K892 PolarHBondContact O-N 2.91Å; K892-A894 VanDerWaalsContact C-N 3.3Å; K892-A894 PolarHBondContact O-N 2.72Å; K892-S895 PolarHBondContact O-N 3.09Å; K892-Q896 HydrophobicContact CG-CG 4.39Å; K892-Q896 WeakPolarHBondContact O-CG 3.37Å; K892-Q896 PolarHBondContact O-N 2.63Å |
| 893 | K | 96.7 | Very high | 97.7 | Very high | 70 Ų | 70 | 15.5 Ų | 15.5 | 30% | 0.304 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -60.6 | -39.4 | -179.9 | -168 | -179.9 | 178.3 | 179.8 | 0 | 111.7 | I128 I132 L151 E889 G890 Q896 V897 | I128-K893 HydrophobicContact CG2-CD 4.18Å; I132-K893 HydrophobicContact CD1-CB 4.04Å; I132-K893 HydrophobicContact CD1-CD 3.88Å; I132-K893 HydrophobicContact CD1-CG 3.69Å; L151-K893 HydrophobicContact CD1-CG 4.25Å; E889-K893 WeakPolarHBondContact O-CB 3.41Å; E889-K893 PolarHBondContact O-N 2.77Å; G890-K893 PolarHBondContact O-N 2.76Å; K893-Q896 PolarHBondContact O-N 3.23Å; K893-V897 HydrophobicContact CG-CG2 4.36Å; K893-V897 WeakPolarHBondContact O-CG2 3.32Å; K893-V897 PolarHBondContact O-N 3.07Å |
| 894 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.8 | -51.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M886 G890 L891 K892 Q896 V897 A898 E974 | M886-A894 HydrophobicContact CE-CB 3.77Å; G890-A894 WeakPolarHBondContact O-CB 3.29Å; G890-A894 PolarHBondContact O-N 3.44Å; L891-A894 PolarHBondContact O-N 2.88Å; K892-A894 VanDerWaalsContact C-N 3.3Å; K892-A894 PolarHBondContact O-N 2.72Å; A894-Q896 VanDerWaalsContact C-N 3.33Å; A894-Q896 PolarHBondContact O-N 3.07Å; A894-V897 PolarHBondContact O-N 2.97Å; A894-A898 PolarHBondContact O-N 3.29Å; A894-E974 HydrophobicContact CB-CG 3.85Å; A894-E974 VanDerWaalsContact O-CB 3.29Å; A894-E974 WeakPolarHBondContact O-CB 3.37Å |
| 895 | S | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 175.9 | -70.8 | 0 | 0 | 0 | 0 | 113.1 | N799 V802 L891 K892 A898 I899 | N799-S895 VanDerWaalsContact O-CA 3.29Å; N799-S895 WeakPolarHBondContact O-CA 3.44Å; N799-S895 WeakPolarHBondContact O-CB 3.42Å; N799-S895 PolarHBondContact O-OG 3.46Å; V802-S895 WeakPolarHBondContact O-CB 3.4Å; V802-S895 PolarHBondContact O-OG 2.83Å; L891-S895 PolarHBondContact O-N 2.83Å; K892-S895 PolarHBondContact O-N 3.09Å; S895-A898 PolarHBondContact O-N 2.8Å; S895-I899 WeakPolarHBondContact O-CD1 3.32Å; S895-I899 VanDerWaalsContact O-CG1 3.31Å; S895-I899 WeakPolarHBondContact O-CG1 3.3Å; S895-I899 PolarHBondContact O-N 3.03Å; S895-I899 VanDerWaalsContact O-N 3.16Å |
| 896 | Q | 98.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 6% | 0.056 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.6 | -68.4 | -175.8 | -55.6 | 0 | 0 | 112.5 | L151 N152 T155 I804 K892 K893 A894 I899 L900 | L151-Q896 HydrophobicContact CB-CB 4.15Å; L151-Q896 HydrophobicContact CD1-CB 4.18Å; L151-Q896 HydrophobicContact CD2-CB 4.27Å; L151-Q896 HydrophobicContact CG-CB 4.44Å; N152-Q896 PolarHBondContact OD1-NE2 3.1Å; T155-Q896 HydrophobicContact CG2-CB 4.34Å; T155-Q896 HydrophobicContact CG2-CG 3.69Å; T155-Q896 PolarHBondContact OG1-NE2 3.37Å; I804-Q896 HydrophobicContact CD1-CG 4.07Å; I804-Q896 HydrophobicContact CG1-CG 4.44Å; K892-Q896 HydrophobicContact CG-CG 4.39Å; K892-Q896 WeakPolarHBondContact O-CG 3.37Å; K892-Q896 PolarHBondContact O-N 2.63Å; K893-Q896 PolarHBondContact O-N 3.23Å; A894-Q896 VanDerWaalsContact C-N 3.33Å; A894-Q896 PolarHBondContact O-N 3.07Å; Q896-I899 PolarHBondContact O-N 3.47Å; Q896-L900 PolarHBondContact O-N 3.42Å |
| 897 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -74.5 | -34.5 | 179.2 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | I132 P134 Q139 L151 K893 A894 I899 L900 N901 E974 | I132-V897 HydrophobicContact CD1-CG2 4.5Å; I132-V897 HydrophobicContact CG2-CB 4.11Å; I132-V897 HydrophobicContact CG2-CG1 3.81Å; I132-V897 HydrophobicContact CG2-CG2 3.99Å; P134-V897 HydrophobicContact CG-CG1 4.14Å; Q139-V897 HydrophobicContact CG-CG2 4.48Å; L151-V897 HydrophobicContact CD1-CG2 3.98Å; L151-V897 HydrophobicContact CD2-CG2 4.31Å; K893-V897 HydrophobicContact CG-CG2 4.36Å; K893-V897 WeakPolarHBondContact O-CG2 3.32Å; K893-V897 PolarHBondContact O-N 3.07Å; A894-V897 PolarHBondContact O-N 2.97Å; V897-I899 VanDerWaalsContact C-N 3.28Å; V897-I899 PolarHBondContact O-N 3.42Å; V897-L900 PolarHBondContact O-N 2.93Å; V897-N901 WeakPolarHBondContact O-CB 3.2Å; V897-N901 VanDerWaalsContact O-CG 3.22Å; V897-N901 PolarHBondContact O-N 3.43Å; V897-N901 PolarHBondContact O-OD1 2.83Å; V897-E974 HydrophobicContact CB-CB 4.11Å; V897-E974 HydrophobicContact CG1-CB 4.21Å |
| 898 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A894 S895 A902 H926 E974 | A894-A898 PolarHBondContact O-N 3.29Å; S895-A898 PolarHBondContact O-N 2.8Å; A898-A902 PolarHBondContact O-N 3.05Å; A898-A902 VanDerWaalsContact O-N 3.15Å; A898-H926 HydrophobicContact CB-CB 4.4Å; A898-E974 HydrophobicContact CB-CB 4.23Å |
| 899 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 174.7 | -64.9 | 162.6 | 0 | 0 | 0 | 111.3 | L154 T155 I158 Y773 I804 S895 Q896 V897 A902 N903 A925 | L154-I899 HydrophobicContact CD2-CG2 4.39Å; T155-I899 HydrophobicContact CG2-CD1 4.16Å; I158-I899 HydrophobicContact CD1-CG2 3.66Å; Y773-I899 VanDerWaalsContact OH-CD1 3.3Å; Y773-I899 WeakPolarHBondContact OH-CD1 3.16Å; I804-I899 HydrophobicContact CD1-CD1 3.82Å; S895-I899 WeakPolarHBondContact O-CD1 3.32Å; S895-I899 VanDerWaalsContact O-CG1 3.31Å; S895-I899 WeakPolarHBondContact O-CG1 3.3Å; S895-I899 PolarHBondContact O-N 3.03Å; S895-I899 VanDerWaalsContact O-N 3.16Å; Q896-I899 PolarHBondContact O-N 3.47Å; V897-I899 VanDerWaalsContact C-N 3.28Å; V897-I899 PolarHBondContact O-N 3.42Å; I899-A902 PolarHBondContact O-N 3.47Å; I899-N903 WeakPolarHBondContact CG2-ND2 3.47Å; I899-N903 WeakPolarHBondContact O-CB 3.35Å; I899-N903 PolarHBondContact O-N 2.93Å; I899-N903 PolarHBondContact O-ND2 3.48Å; I899-A925 WeakPolarHBondContact CA-O 3.41Å |
| 900 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.7 | 175.3 | 61.7 | 0 | 0 | 0 | 111.6 | Q139 M142 L143 V146 L151 L154 Q896 V897 A902 N903 Y904 | Q139-L900 HydrophobicContact CB-CD2 4.19Å; Q139-L900 HydrophobicContact CG-CD2 4.24Å; M142-L900 HydrophobicContact CB-CD1 3.97Å; M142-L900 HydrophobicContact CB-CD2 4.12Å; M142-L900 HydrophobicContact CB-CG 4.12Å; M142-L900 HydrophobicContact CE-CG 4.2Å; L143-L900 HydrophobicContact CD2-CD1 3.93Å; L143-L900 HydrophobicContact CG-CD1 4.02Å; L143-L900 HydrophobicContact CG-CD2 4.11Å; V146-L900 HydrophobicContact CG2-CD1 4.02Å; L151-L900 HydrophobicContact CD2-CB 4.09Å; L151-L900 HydrophobicContact CD2-CD2 3.74Å; L151-L900 HydrophobicContact CD2-CG 4.47Å; L154-L900 HydrophobicContact CD2-CB 3.98Å; L154-L900 HydrophobicContact CD2-CD1 3.9Å; Q896-L900 PolarHBondContact O-N 3.42Å; V897-L900 PolarHBondContact O-N 2.93Å; L900-A902 PolarHBondContact O-N 2.79Å; L900-N903 PolarHBondContact O-N 2.89Å; L900-Y904 VanDerWaalsContact O-CB 3.31Å; L900-Y904 WeakPolarHBondContact O-CB 3.18Å; L900-Y904 PolarHBondContact O-N 3Å |
| 901 | N | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | -178.3 | -71.9 | 7.4 | 0 | 0 | 0 | 111.3 | M142 V897 Y904 I905 P972 T973 E976 L981 | M142-N901 HydrophobicContact CE-CB 4.42Å; M142-N901 WeakPolarHBondContact CE-OD1 3.41Å; V897-N901 WeakPolarHBondContact O-CB 3.2Å; V897-N901 VanDerWaalsContact O-CG 3.22Å; V897-N901 PolarHBondContact O-N 3.43Å; V897-N901 PolarHBondContact O-OD1 2.83Å; N901-Y904 PolarHBondContact O-N 3.14Å; N901-I905 PolarHBondContact O-N 3.45Å; N901-I905 VanDerWaalsContact O-N 3.08Å; N901-P972 HydrophobicContact CB-CB 4.22Å; N901-P972 HydrophobicContact CB-CG 3.66Å; N901-T973 PolarHBondContact ND2-O 2.69Å; N901-E976 PolarHBondContact ND2-O 2.91Å; N901-L981 HydrophobicContact CB-CD1 3.85Å |
| 902 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A898 I899 L900 Y904 I905 A906 V924 H926 P972 | A898-A902 PolarHBondContact O-N 3.05Å; A898-A902 VanDerWaalsContact O-N 3.15Å; I899-A902 PolarHBondContact O-N 3.47Å; L900-A902 PolarHBondContact O-N 2.79Å; A902-Y904 VanDerWaalsContact C-N 3.3Å; A902-Y904 PolarHBondContact O-N 3.35Å; A902-I905 PolarHBondContact O-N 2.78Å; A902-A906 WeakPolarHBondContact O-CB 3.49Å; A902-A906 PolarHBondContact O-N 3.17Å; A902-V924 HydrophobicContact CB-CG2 4.19Å; A902-H926 WeakPolarHBondContact CB-O 3.42Å; A902-P972 HydrophobicContact CB-CG 4.31Å |
| 903 | N | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.032 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.5 | -33.2 | 176.5 | -80.6 | -89.8 | 0 | 0 | 0 | 112.2 | V146 I899 L900 S907 R923 V924 | V146-N903 HydrophobicContact CG1-CB 4.26Å; I899-N903 WeakPolarHBondContact CG2-ND2 3.47Å; I899-N903 WeakPolarHBondContact O-CB 3.35Å; I899-N903 PolarHBondContact O-N 2.93Å; I899-N903 PolarHBondContact O-ND2 3.48Å; L900-N903 PolarHBondContact O-N 2.89Å; N903-S907 VanDerWaalsContact O-CB 3.26Å; N903-S907 WeakPolarHBondContact O-CB 3.37Å; N903-S907 PolarHBondContact O-N 3.45Å; N903-S907 PolarHBondContact O-OG 3.03Å; N903-S907 VanDerWaalsContact O-OG 3.11Å; N903-R923 WeakPolarHBondContact OD1-CD 3.36Å; N903-V924 HydrophobicContact CB-CG2 4.45Å; N903-V924 PolarHBondContact ND2-O 2.82Å; N903-V924 PolarHBondContact OD1-N 3.29Å |
| 904 | Y | 98.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -51.9 | 173.7 | -179.9 | -108.7 | 0 | 0 | 0 | 111.1 | M142 A145 L900 N901 A902 A906 S907 R908 K978 L981 D982 I985 | M142-Y904 HydrophobicContact CB-CD2 3.92Å; M142-Y904 HydrophobicContact CB-CE2 4.36Å; M142-Y904 HydrophobicContact CB-CG 4.3Å; M142-Y904 HydrophobicContact CE-CD1 3.71Å; M142-Y904 HydrophobicContact CE-CD2 4.34Å; M142-Y904 HydrophobicContact CE-CE1 4.48Å; M142-Y904 HydrophobicContact CE-CG 3.61Å; M142-Y904 HydrophobicContact CG-CD1 4.34Å; M142-Y904 HydrophobicContact CG-CD2 3.79Å; M142-Y904 HydrophobicContact CG-CE1 4.44Å; M142-Y904 HydrophobicContact CG-CE2 3.91Å; M142-Y904 HydrophobicContact CG-CG 3.99Å; A145-Y904 HydrophobicContact CB-CD2 4.09Å; A145-Y904 HydrophobicContact CB-CE2 3.9Å; L900-Y904 VanDerWaalsContact O-CB 3.31Å; L900-Y904 WeakPolarHBondContact O-CB 3.18Å; L900-Y904 PolarHBondContact O-N 3Å; N901-Y904 PolarHBondContact O-N 3.14Å; A902-Y904 VanDerWaalsContact C-N 3.3Å; A902-Y904 PolarHBondContact O-N 3.35Å; Y904-A906 PolarHBondContact O-N 2.97Å; Y904-S907 PolarHBondContact O-N 3.26Å; Y904-S907 PolarHBondContact O-OG 3Å; Y904-R908 HydrophobicContact CD2-CG 4.27Å; Y904-R908 HydrophobicContact CE1-CG 4.46Å; Y904-R908 HydrophobicContact CE2-CG 4.06Å; Y904-R908 WeakPolarHBondContact O-CB 3.13Å; Y904-R908 VanDerWaalsContact O-CG 3.23Å; Y904-R908 WeakPolarHBondContact O-CG 3.36Å; Y904-R908 PolarHBondContact O-N 3.27Å; Y904-R908 PolarHBondContact OH-NH1 2.98Å; Y904-K978 WeakPolarHBondContact OH-CE 3.21Å; Y904-L981 HydrophobicContact CD1-CB 4.31Å; Y904-L981 HydrophobicContact CD1-CD1 4.18Å; Y904-L981 HydrophobicContact CE1-CB 4.33Å; Y904-D982 WeakPolarHBondContact CE1-OD1 3.45Å; Y904-D982 PolarHBondContact OH-OD1 3.09Å; Y904-D982 PolarHBondContact OH-OD2 2.92Å; Y904-I985 HydrophobicContact CD1-CD1 3.83Å; Y904-I985 HydrophobicContact CE1-CD1 3.56Å |
| 905 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 174.9 | -69.7 | -178.7 | 0 | 0 | 0 | 111.1 | N901 A902 S907 R908 L909 V970 P972 L981 F984 I985 | N901-I905 PolarHBondContact O-N 3.45Å; N901-I905 VanDerWaalsContact O-N 3.08Å; A902-I905 PolarHBondContact O-N 2.78Å; I905-S907 VanDerWaalsContact C-N 3.35Å; I905-S907 PolarHBondContact O-N 3.25Å; I905-R908 PolarHBondContact O-N 2.87Å; I905-L909 HydrophobicContact CG2-CD1 3.71Å; I905-L909 HydrophobicContact CG2-CG 4.36Å; I905-L909 WeakPolarHBondContact O-CB 3.47Å; I905-L909 PolarHBondContact O-N 3.29Å; I905-V970 HydrophobicContact CD1-CG1 4.16Å; I905-V970 HydrophobicContact CG2-CG1 4.28Å; I905-P972 HydrophobicContact CD1-CB 3.78Å; I905-P972 HydrophobicContact CD1-CG 3.92Å; I905-L981 HydrophobicContact CD1-CD2 4.13Å; I905-F984 HydrophobicContact CD1-CD1 4.33Å; I905-I985 HydrophobicContact CG1-CD1 4.14Å; I905-I985 HydrophobicContact CG1-CG1 4.23Å |
| 906 | A | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.1 | -48.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A902 Y904 R908 L909 Q910 V915 V924 C928 | A902-A906 WeakPolarHBondContact O-CB 3.49Å; A902-A906 PolarHBondContact O-N 3.17Å; Y904-A906 PolarHBondContact O-N 2.97Å; A906-R908 VanDerWaalsContact C-N 3.34Å; A906-R908 PolarHBondContact O-N 3.09Å; A906-L909 PolarHBondContact O-N 3.29Å; A906-Q910 WeakPolarHBondContact O-CB 3.3Å; A906-Q910 PolarHBondContact O-N 3.35Å; A906-V915 HydrophobicContact CB-CG2 4.05Å; A906-V924 HydrophobicContact CB-CG2 4.2Å; A906-C928 HydrophobicContact CB-CB 4.12Å |
| 907 | S | 97.7 | Very high | 97.9 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -36 | -179.9 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | N903 Y904 I905 Q910 | N903-S907 VanDerWaalsContact O-CB 3.26Å; N903-S907 WeakPolarHBondContact O-CB 3.37Å; N903-S907 PolarHBondContact O-N 3.45Å; N903-S907 PolarHBondContact O-OG 3.03Å; N903-S907 VanDerWaalsContact O-OG 3.11Å; Y904-S907 PolarHBondContact O-N 3.26Å; Y904-S907 PolarHBondContact O-OG 3Å; I905-S907 VanDerWaalsContact C-N 3.35Å; I905-S907 PolarHBondContact O-N 3.25Å; S907-Q910 WeakPolarHBondContact O-CG 3.48Å; S907-Q910 PolarHBondContact O-NE2 3.02Å |
| 908 | R | 98.3 | Very high | 97.8 | Very high | 91 Ų | 91 | 30 Ų | 30 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -79.1 | -24.9 | -179 | -68.2 | -69.3 | -55.9 | -70.3 | -5.6 | 113 | Y904 I905 A906 D982 I985 | Y904-R908 HydrophobicContact CD2-CG 4.27Å; Y904-R908 HydrophobicContact CE1-CG 4.46Å; Y904-R908 HydrophobicContact CE2-CG 4.06Å; Y904-R908 WeakPolarHBondContact O-CB 3.13Å; Y904-R908 VanDerWaalsContact O-CG 3.23Å; Y904-R908 WeakPolarHBondContact O-CG 3.36Å; Y904-R908 PolarHBondContact O-N 3.27Å; Y904-R908 PolarHBondContact OH-NH1 2.98Å; I905-R908 PolarHBondContact O-N 2.87Å; A906-R908 VanDerWaalsContact C-N 3.34Å; A906-R908 PolarHBondContact O-N 3.09Å; R908-D982 IonicContact NH1-OD1 2.9Å; R908-D982 PolarHBondContact NH1-OD1 2.86Å; R908-I985 HydrophobicContact CB-CD1 3.87Å; R908-I985 HydrophobicContact CB-CG1 4.31Å; R908-I985 HydrophobicContact CB-CG2 3.93Å; R908-I985 HydrophobicContact CG-CD1 4.05Å |
| 909 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -102.5 | -18.3 | -178 | -66.1 | -177.4 | 0 | 0 | 0 | 114.5 | I905 A906 D911 A912 F913 L930 F984 I985 M988 L989 | I905-L909 HydrophobicContact CG2-CD1 3.71Å; I905-L909 HydrophobicContact CG2-CG 4.36Å; I905-L909 WeakPolarHBondContact O-CB 3.47Å; I905-L909 PolarHBondContact O-N 3.29Å; A906-L909 PolarHBondContact O-N 3.29Å; L909-D911 VanDerWaalsContact C-N 3.25Å; L909-D911 PolarHBondContact O-N 3.39Å; L909-D911 VanDerWaalsContact O-N 3.07Å; L909-A912 CarbonylContact O-C 3.51Å; L909-A912 WeakPolarHBondContact O-CA 3.04Å; L909-A912 PolarHBondContact O-N 2.92Å; L909-F913 PolarHBondContact O-N 3.41Å; L909-L930 HydrophobicContact CB-CD2 4.45Å; L909-L930 HydrophobicContact CD1-CD1 3.91Å; L909-F984 HydrophobicContact CD1-CE1 4.48Å; L909-I985 HydrophobicContact CD2-CB 4.45Å; L909-I985 HydrophobicContact CD2-CG2 3.99Å; L909-I985 HydrophobicContact CG-CG1 4.44Å; L909-M988 HydrophobicContact CD1-CB 4.08Å; L909-M988 HydrophobicContact CD1-CG 4.16Å; L909-M988 HydrophobicContact CD2-CB 3.78Å; L909-L989 HydrophobicContact CD2-CD2 4.01Å; L909-L989 HydrophobicContact CD2-CG 3.96Å |
| 910 | Q | 96.8 | Very high | 97 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.6 | -171.5 | 66 | -173.4 | -14.8 | 0 | 0 | 115.4 | A906 S907 F913 V915 | A906-Q910 WeakPolarHBondContact O-CB 3.3Å; A906-Q910 PolarHBondContact O-N 3.35Å; S907-Q910 WeakPolarHBondContact O-CG 3.48Å; S907-Q910 PolarHBondContact O-NE2 3.02Å; Q910-F913 WeakPolarHBondContact CA-O 3.39Å; Q910-F913 CarbonylContact O-C 3.53Å; Q910-V915 HydrophobicContact CB-CG2 4.06Å |
| 911 | D | 96.3 | Very high | 96.5 | Very high | 152 Ų | 152 | 42.2 Ų | 42.2 | 81% | 0.813 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -28.5 | -179.7 | -67.8 | -26.6 | 0 | 0 | 0 | 112.1 | L909 | L909-D911 VanDerWaalsContact C-N 3.25Å; L909-D911 PolarHBondContact O-N 3.39Å; L909-D911 VanDerWaalsContact O-N 3.07Å |
| 912 | A | 97.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -33.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L909 L989 R992 | L909-A912 CarbonylContact O-C 3.51Å; L909-A912 WeakPolarHBondContact O-CA 3.04Å; L909-A912 PolarHBondContact O-N 2.92Å; A912-L989 HydrophobicContact CB-CD2 3.67Å; A912-R992 HydrophobicContact CB-CB 4.3Å; A912-R992 HydrophobicContact CB-CG 4Å; A912-R992 PolarHBondContact O-NH1 3Å |
| 913 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -141.8 | 108 | -179.8 | -57.8 | -82.1 | 0 | 0 | 0 | 108.2 | L909 Q910 V915 L930 I932 L935 I946 M988 R992 I995 | L909-F913 PolarHBondContact O-N 3.41Å; Q910-F913 WeakPolarHBondContact CA-O 3.39Å; Q910-F913 CarbonylContact O-C 3.53Å; F913-V915 PolarHBondContact O-N 3.04Å; F913-L930 HydrophobicContact CB-CB 4.16Å; F913-L930 HydrophobicContact CB-CD1 4.41Å; F913-L930 HydrophobicContact CB-CD2 4.28Å; F913-I932 HydrophobicContact CD1-CD1 3.58Å; F913-I932 HydrophobicContact CE1-CD1 4.08Å; F913-I932 HydrophobicContact CG-CD1 4.47Å; F913-L935 HydrophobicContact CD1-CD1 3.55Å; F913-L935 HydrophobicContact CE1-CD1 3.62Å; F913-I946 HydrophobicContact CE1-CD1 3.99Å; F913-M988 HydrophobicContact CD2-CE 4.12Å; F913-M988 HydrophobicContact CE1-CE 4.46Å; F913-M988 HydrophobicContact CE2-CB 4.17Å; F913-M988 HydrophobicContact CE2-CE 3.9Å; F913-M988 VanDerWaalsContact CE2-O 3.32Å; F913-M988 WeakPolarHBondContact CE2-O 3.24Å; F913-M988 HydrophobicContact CG-CE 4.48Å; F913-M988 HydrophobicContact CZ-CE 4.07Å; F913-R992 HydrophobicContact CE2-CB 3.88Å; F913-R992 HydrophobicContact CZ-CB 3.71Å; F913-I995 HydrophobicContact CE1-CD1 4.45Å |
| 914 | P | 96.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 46 Ų | 46 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | trans | -55.5 | 134.1 | -177.9 | -26.4 | 34.7 | 0 | 0 | 0 | 112.1 | L916 D931 | P914-L916 PolarHBondContact O-N 3.49Å; P914-D931 PolarHBondContact O-N 3.41Å | ||
| 915 | V | 97.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 115.6 | 171.9 | -178 | 0 | 0 | 0 | 0 | 108.1 | A906 Q910 F913 T918 V924 C928 I929 L930 | A906-V915 HydrophobicContact CB-CG2 4.05Å; Q910-V915 HydrophobicContact CB-CG2 4.06Å; F913-V915 PolarHBondContact O-N 3.04Å; V915-T918 HydrophobicContact CB-CG2 4.41Å; V915-T918 HydrophobicContact CG1-CG2 3.87Å; V915-V924 HydrophobicContact CG1-CG1 4.08Å; V915-C928 HydrophobicContact CG1-CB 4.38Å; V915-I929 CarbonylContact C-O 3.59Å; V915-I929 WeakPolarHBondContact CA-O 3.3Å; V915-L930 HydrophobicContact CG2-CD2 4.43Å |
| 916 | L | 97 | Very high | 95.9 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -67.2 | -42.8 | -167.5 | -179.7 | 55 | 0 | 0 | 0 | 113.2 | P914 I929 D931 V964 T967 | P914-L916 PolarHBondContact O-N 3.49Å; L916-I929 HydrophobicContact CB-CB 4.22Å; L916-I929 HydrophobicContact CB-CG2 3.9Å; L916-I929 HydrophobicContact CD2-CG2 4.01Å; L916-I929 PolarHBondContact N-O 2.99Å; L916-D931 HydrophobicContact CB-CB 4.25Å; L916-D931 HydrophobicContact CD1-CB 4.44Å; L916-V964 HydrophobicContact CD2-CB 4.14Å; L916-V964 HydrophobicContact CD2-CG1 3.99Å; L916-V964 HydrophobicContact CD2-CG2 3.91Å; L916-T967 HydrophobicContact CD2-CG2 4.17Å |
| 917 | Y | 96.5 | Very high | 95.9 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | trans | -128.5 | 136.9 | -178.5 | -57.2 | -61.2 | 0 | 0 | 0 | 109.8 | N740 H770 I929 V964 | N740-Y917 VanDerWaalsContact C-CD1 3.47Å; N740-Y917 WeakPolarHBondContact O-CD1 3.5Å; H770-Y917 HydrophobicContact CB-CD2 3.58Å; H770-Y917 HydrophobicContact CB-CE2 4.26Å; H770-Y917 HydrophobicContact CB-CG 4.05Å; H770-Y917 AromaticContact CD2-CD2 3.57Å; H770-Y917 AromaticContact CD2-CE2 3.34Å; H770-Y917 WeakPolarHBondContact CD2-CE2 3.23Å; H770-Y917 AromaticContact CE1-CE2 3.86Å; H770-Y917 AromaticContact CG-CD2 3.47Å; H770-Y917 VanDerWaalsContact CG-CD2 3.47Å; H770-Y917 AromaticContact CG-CE2 3.62Å; H770-Y917 AromaticContact ND1-CE2 3.93Å; H770-Y917 AromaticContact NE2-CE2 3.53Å; Y917-I929 HydrophobicContact CD2-CD1 4.06Å; Y917-I929 HydrophobicContact CE2-CD1 4.38Å; Y917-V964 HydrophobicContact CE2-CG2 3.75Å | ||
| 918 | T | 96 | Very high | 95.9 | Very high | 58 Ų | 58 | 44 Ų | 44 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | trans | -137.8 | 146.8 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 108.9 | V915 V924 | V915-T918 HydrophobicContact CB-CG2 4.41Å; V915-T918 HydrophobicContact CG1-CG2 3.87Å; T918-V924 HydrophobicContact CG2-CG1 4.46Å | ||
| 919 | G | 92.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 24% | 0.237 | 22% | 0.22 | C | C | . | . | trans | -84.1 | -149.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | D921 G922 R923 | G919-D921 PolarHBondContact O-N 3.4Å; G919-G922 PolarHBondContact O-N 3.38Å; G919-R923 PolarHBondContact N-O 2.88Å | ||
| 920 | R | 88.6 | Confident | 95.9 | Very high | 118 Ų | 118 | 39.7 Ų | 39.7 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -53.8 | 137.4 | 177.8 | 179.9 | 173 | 175 | 156.8 | 5.7 | 112.2 | Q157 G922 R923 | Q157-R920 WeakPolarHBondContact O-CD 3.26Å; R920-G922 PolarHBondContact O-N 3.08Å; R920-G922 VanDerWaalsContact O-N 3.12Å; R920-R923 WeakPolarHBondContact O-CB 3.45Å; R920-R923 WeakPolarHBondContact O-CG 3.47Å; R920-R923 PolarHBondContact O-N 3Å; R920-R923 VanDerWaalsContact O-N 3.15Å |
| 921 | D | 86.8 | Confident | 96 | Very high | 117 Ų | 117 | 35.8 Ų | 35.8 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | 54.9 | 28.7 | 175.7 | -57.9 | -39.6 | 0 | 0 | 0 | 114.3 | G919 R923 | G919-D921 PolarHBondContact O-N 3.4Å; D921-R923 VanDerWaalsContact C-N 3.34Å |
| 922 | G | 91.9 | Very high | 96 | Very high | 48 Ų | 48 | 28.6 Ų | 28.6 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | 75.5 | 19.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G919 R920 | G919-G922 PolarHBondContact O-N 3.38Å; R920-G922 PolarHBondContact O-N 3.08Å; R920-G922 VanDerWaalsContact O-N 3.12Å |
| 923 | R | 95.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | trans | -96.8 | 157.2 | -174.6 | -58.1 | -69.6 | -164.5 | -170.2 | 1.6 | 113 | V146 I158 N903 G919 R920 D921 | V146-R923 PolarHBondContact O-NH1 3.07Å; V146-R923 PolarHBondContact O-NH2 3.36Å; I158-R923 HydrophobicContact CD1-CB 3.8Å; I158-R923 HydrophobicContact CD1-CG 4.07Å; I158-R923 HydrophobicContact CG1-CB 3.56Å; I158-R923 HydrophobicContact CG1-CG 3.71Å; I158-R923 HydrophobicContact CG2-CB 4.44Å; N903-R923 WeakPolarHBondContact OD1-CD 3.36Å; G919-R923 PolarHBondContact N-O 2.88Å; R920-R923 WeakPolarHBondContact O-CB 3.45Å; R920-R923 WeakPolarHBondContact O-CG 3.47Å; R920-R923 PolarHBondContact O-N 3Å; R920-R923 VanDerWaalsContact O-N 3.15Å; D921-R923 VanDerWaalsContact C-N 3.34Å | ||
| 924 | V | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | trans | -113.6 | 169.4 | 173 | -61.4 | 0 | 0 | 0 | 0 | 111 | A902 N903 A906 V915 T918 C928 | A902-V924 HydrophobicContact CB-CG2 4.19Å; N903-V924 HydrophobicContact CB-CG2 4.45Å; N903-V924 PolarHBondContact ND2-O 2.82Å; N903-V924 PolarHBondContact OD1-N 3.29Å; A906-V924 HydrophobicContact CB-CG2 4.2Å; V915-V924 HydrophobicContact CG1-CG1 4.08Å; T918-V924 HydrophobicContact CG2-CG1 4.46Å; V924-C928 HydrophobicContact CB-CB 4.35Å; V924-C928 HydrophobicContact CG1-CB 3.94Å; V924-C928 HydrophobicContact CG2-CB 4.18Å | ||
| 925 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -82.7 | -123 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P767 G771 Y773 A800 I899 | P767-A925 HydrophobicContact CB-CB 3.79Å; P767-A925 HydrophobicContact CG-CB 3.72Å; G771-A925 WeakPolarHBondContact O-CB 3.33Å; G771-A925 PolarHBondContact O-N 3.14Å; Y773-A925 HydrophobicContact CD2-CB 3.78Å; Y773-A925 HydrophobicContact CE2-CB 3.44Å; Y773-A925 VanDerWaalsContact CE2-CB 3.44Å; A800-A925 HydrophobicContact CB-CB 4.4Å; I899-A925 WeakPolarHBondContact CA-O 3.41Å |
| 926 | H | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -89.8 | -4.3 | 178.8 | 65.4 | -53.5 | 0 | 0 | 0 | 114 | N797 A800 A898 A902 E971 | N797-H926 VanDerWaalsContact CG-CE1 3.4Å; N797-H926 PolarHBondContact ND2-CE1 3.34Å; N797-H926 PolarHBondContact OD1-NE2 3.38Å; A800-H926 HydrophobicContact CB-CB 3.91Å; A898-H926 HydrophobicContact CB-CB 4.4Å; A902-H926 WeakPolarHBondContact CB-O 3.42Å; H926-E971 IonicContact CD2-OE1 2.71Å; H926-E971 PolarHBondContact CD2-OE1 2.91Å; H926-E971 VanDerWaalsContact CD2-OE1 3.26Å; H926-E971 IonicContact NE2-OE1 3.83Å |
| 927 | E | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -146.4 | 157.3 | -178.8 | 67.2 | -169 | 164.5 | 0 | 0 | 111.2 | S624 N797 V970 E971 | S624-E927 PolarHBondContact N-OE2 2.68Å; N797-E927 PolarHBondContact ND2-OE1 3.16Å; N797-E927 VanDerWaalsContact ND2-OE1 3.1Å; E927-V970 CarbonylContact C-O 3.51Å; E927-V970 WeakPolarHBondContact CA-O 3.27Å; E927-V970 WeakPolarHBondContact CB-O 3.36Å; E927-E971 HydrophobicContact CB-CB 3.84Å; E927-E971 HydrophobicContact CB-CG 4.27Å | ||
| 928 | C | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.8 | 176 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | A906 V915 V924 M969 V970 | A906-C928 HydrophobicContact CB-CB 4.12Å; V915-C928 HydrophobicContact CG1-CB 4.38Å; V924-C928 HydrophobicContact CB-CB 4.35Å; V924-C928 HydrophobicContact CG1-CB 3.94Å; V924-C928 HydrophobicContact CG2-CB 4.18Å; C928-M969 CarbonylContact O-C 3.48Å; C928-M969 WeakPolarHBondContact O-CA 3.27Å; C928-V970 PolarHBondContact N-O 3.05Å; C928-V970 PolarHBondContact O-N 3.43Å |
| 929 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.8 | 176.2 | -63.9 | 171.9 | 0 | 0 | 0 | 110.2 | H770 V915 L916 Y917 P963 T967 L968 M969 | H770-I929 HydrophobicContact CB-CD1 4.38Å; V915-I929 CarbonylContact C-O 3.59Å; V915-I929 WeakPolarHBondContact CA-O 3.3Å; L916-I929 HydrophobicContact CB-CB 4.22Å; L916-I929 HydrophobicContact CB-CG2 3.9Å; L916-I929 HydrophobicContact CD2-CG2 4.01Å; L916-I929 PolarHBondContact N-O 2.99Å; Y917-I929 HydrophobicContact CD2-CD1 4.06Å; Y917-I929 HydrophobicContact CE2-CD1 4.38Å; I929-P963 HydrophobicContact CD1-CG 3.75Å; I929-T967 HydrophobicContact CG2-CG2 4.1Å; I929-L968 CarbonylContact C-O 3.49Å; I929-L968 WeakPolarHBondContact CA-O 3.02Å; I929-M969 HydrophobicContact CD1-CG 4.49Å; I929-M969 HydrophobicContact CD1-SD 4.08Å; I929-M969 HydrophobicContact CG1-CB 3.99Å; I929-M969 HydrophobicContact CG1-CG 3.72Å; I929-M969 HydrophobicContact CG1-SD 3.95Å |
| 930 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.5 | 174.5 | -55.4 | -179 | 0 | 0 | 0 | 109.9 | L909 F913 V915 I932 T967 L968 V970 M988 | L909-L930 HydrophobicContact CB-CD2 4.45Å; L909-L930 HydrophobicContact CD1-CD1 3.91Å; F913-L930 HydrophobicContact CB-CB 4.16Å; F913-L930 HydrophobicContact CB-CD1 4.41Å; F913-L930 HydrophobicContact CB-CD2 4.28Å; V915-L930 HydrophobicContact CG2-CD2 4.43Å; L930-I932 HydrophobicContact CB-CD1 4.41Å; L930-I932 PolarHBondContact O-N 3.5Å; L930-T967 WeakPolarHBondContact O-CB 3.33Å; L930-L968 HydrophobicContact CB-CB 4.49Å; L930-L968 PolarHBondContact N-O 3.17Å; L930-L968 PolarHBondContact O-N 3.48Å; L930-L968 VanDerWaalsContact O-N 3.15Å; L930-V970 HydrophobicContact CD1-CG2 3.93Å; L930-V970 HydrophobicContact CG-CG2 4.2Å; L930-M988 HydrophobicContact CD1-CE 3.75Å |
| 931 | D | 97.9 | Very high | 96.6 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 106.6 | -177.9 | -164.6 | -1.6 | 0 | 0 | 0 | 112.2 | P914 L916 R933 P934 | P914-D931 PolarHBondContact O-N 3.41Å; L916-D931 HydrophobicContact CB-CB 4.25Å; L916-D931 HydrophobicContact CD1-CB 4.44Å; D931-R933 VanDerWaalsContact CG-NH2 3.34Å; D931-R933 WeakPolarHBondContact OD1-CB 3.4Å; D931-R933 WeakPolarHBondContact OD1-CG 3.46Å; D931-R933 IonicContact OD1-CZ 3Å; D931-R933 PolarHBondContact OD1-N 3.33Å; D931-R933 IonicContact OD1-NE 3.49Å; D931-R933 PolarHBondContact OD1-NE 3.04Å; D931-R933 IonicContact OD1-NH2 3.74Å; D931-R933 PolarHBondContact OD1-NH2 2.99Å; D931-R933 IonicContact OD2-CZ 3.2Å; D931-R933 IonicContact OD2-NE 2.7Å; D931-R933 PolarHBondContact OD2-NE 3.09Å; D931-R933 IonicContact OD2-NH2 2.69Å; D931-R933 PolarHBondContact OD2-NH2 3.45Å; D931-P934 WeakPolarHBondContact OD1-CD 3.34Å |
| 932 | I | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -92.4 | -13.9 | 179.3 | -46.3 | -54.2 | 0 | 0 | 0 | 111.4 | F913 L930 L935 K936 E943 I946 G966 L968 | F913-I932 HydrophobicContact CD1-CD1 3.58Å; F913-I932 HydrophobicContact CE1-CD1 4.08Å; F913-I932 HydrophobicContact CG-CD1 4.47Å; L930-I932 HydrophobicContact CB-CD1 4.41Å; L930-I932 PolarHBondContact O-N 3.5Å; I932-L935 HydrophobicContact CG2-CB 4.45Å; I932-L935 WeakPolarHBondContact O-CB 3.27Å; I932-L935 PolarHBondContact O-N 3.38Å; I932-K936 PolarHBondContact O-N 3.19Å; I932-E943 HydrophobicContact CB-CB 4.19Å; I932-E943 HydrophobicContact CG1-CB 4.1Å; I932-E943 HydrophobicContact CG2-CB 4.32Å; I932-I946 HydrophobicContact CD1-CD1 3.83Å; I932-I946 HydrophobicContact CG1-CD1 4.2Å; I932-I946 HydrophobicContact CG2-CD1 3.72Å; I932-G966 WeakPolarHBondContact CB-O 3.27Å; I932-L968 HydrophobicContact CD1-CD1 4.36Å; I932-L968 HydrophobicContact CG1-CD1 4.33Å; I932-L968 HydrophobicContact CG1-CG 4.14Å | ||
| 933 | R | 97.6 | Very high | 97.3 | Very high | 96 Ų | 96 | 33.4 Ų | 33.4 | 36% | 0.362 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.6 | -43.7 | -171.9 | -57.4 | 168.4 | -67.3 | -176.6 | 2.9 | 113.1 | D931 L935 K936 E937 V964 A965 G966 | D931-R933 VanDerWaalsContact CG-NH2 3.34Å; D931-R933 WeakPolarHBondContact OD1-CB 3.4Å; D931-R933 WeakPolarHBondContact OD1-CG 3.46Å; D931-R933 IonicContact OD1-CZ 3Å; D931-R933 PolarHBondContact OD1-N 3.33Å; D931-R933 IonicContact OD1-NE 3.49Å; D931-R933 PolarHBondContact OD1-NE 3.04Å; D931-R933 IonicContact OD1-NH2 3.74Å; D931-R933 PolarHBondContact OD1-NH2 2.99Å; D931-R933 IonicContact OD2-CZ 3.2Å; D931-R933 IonicContact OD2-NE 2.7Å; D931-R933 PolarHBondContact OD2-NE 3.09Å; D931-R933 IonicContact OD2-NH2 2.69Å; D931-R933 PolarHBondContact OD2-NH2 3.45Å; R933-L935 VanDerWaalsContact C-N 3.33Å; R933-L935 PolarHBondContact O-N 3.41Å; R933-K936 PolarHBondContact O-N 3.41Å; R933-E937 PolarHBondContact O-N 2.81Å; R933-V964 VanDerWaalsContact NH1-CG1 3.33Å; R933-A965 WeakPolarHBondContact CD-O 3.25Å; R933-G966 WeakPolarHBondContact CG-O 3.25Å |
| 934 | P | 96 | Very high | 97.4 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 43% | 0.429 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.7 | -22.5 | 34.7 | 0 | 0 | 0 | 112.8 | D931 K936 E937 E938 | D931-P934 WeakPolarHBondContact OD1-CD 3.34Å; P934-K936 VanDerWaalsContact C-N 3.35Å; P934-E937 PolarHBondContact O-N 3.4Å; P934-E938 WeakPolarHBondContact O-CB 3.45Å; P934-E938 PolarHBondContact O-N 3.45Å |
| 935 | L | 96.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.3 | -67.8 | 171.6 | 0 | 0 | 0 | 111.3 | F913 I932 R933 E938 T939 | F913-L935 HydrophobicContact CD1-CD1 3.55Å; F913-L935 HydrophobicContact CE1-CD1 3.62Å; I932-L935 HydrophobicContact CG2-CB 4.45Å; I932-L935 WeakPolarHBondContact O-CB 3.27Å; I932-L935 PolarHBondContact O-N 3.38Å; R933-L935 VanDerWaalsContact C-N 3.33Å; R933-L935 PolarHBondContact O-N 3.41Å; L935-E938 PolarHBondContact O-N 2.98Å; L935-T939 WeakPolarHBondContact O-CB 3.28Å; L935-T939 PolarHBondContact O-N 2.79Å; L935-T939 PolarHBondContact O-OG1 2.99Å |
| 936 | K | 97 | Very high | 97.4 | Very high | 91 Ų | 91 | 35.1 Ų | 35.1 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.4 | -174 | 178.3 | -173 | 165.6 | 0 | 112.5 | I932 R933 P934 E938 G940 I941 E943 | I932-K936 PolarHBondContact O-N 3.19Å; R933-K936 PolarHBondContact O-N 3.41Å; P934-K936 VanDerWaalsContact C-N 3.35Å; K936-E938 VanDerWaalsContact C-N 3.31Å; K936-E938 PolarHBondContact O-N 3.05Å; K936-G940 VanDerWaalsContact O-CA 3.27Å; K936-G940 WeakPolarHBondContact O-CA 3.45Å; K936-G940 PolarHBondContact O-N 3.24Å; K936-I941 WeakPolarHBondContact CA-O 3.41Å; K936-I941 WeakPolarHBondContact CB-O 3.19Å; K936-E943 IonicContact NZ-OE2 3.47Å; K936-E943 PolarHBondContact NZ-OE2 2.84Å |
| 937 | E | 96.5 | Very high | 97.4 | Very high | 178 Ų | 178 | 35 Ų | 35 | 83% | 0.832 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -62.6 | -39.4 | 175.7 | -174.5 | 174.6 | -173.7 | 0 | 0 | 111.7 | R933 P934 | R933-E937 PolarHBondContact O-N 2.81Å; P934-E937 PolarHBondContact O-N 3.4Å |
| 938 | E | 96.1 | Very high | 97.4 | Very high | 113 Ų | 113 | 35.5 Ų | 35.5 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -77.5 | -38.8 | -177.9 | -176.7 | 173.9 | -143.6 | 0 | 0 | 113.9 | P934 L935 K936 K999 | P934-E938 WeakPolarHBondContact O-CB 3.45Å; P934-E938 PolarHBondContact O-N 3.45Å; L935-E938 PolarHBondContact O-N 2.98Å; K936-E938 VanDerWaalsContact C-N 3.31Å; K936-E938 PolarHBondContact O-N 3.05Å; E938-K999 HydrophobicContact CG-CD 4.45Å; E938-K999 WeakPolarHBondContact OE1-CE 3.32Å; E938-K999 IonicContact OE1-NZ 2.83Å; E938-K999 PolarHBondContact OE1-NZ 3.33Å; E938-K999 WeakPolarHBondContact OE2-CE 3.45Å; E938-K999 IonicContact OE2-NZ 3.82Å; E938-K999 PolarHBondContact OE2-NZ 3.08Å |
| 939 | T | 96.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -118.9 | -15.8 | -166.1 | 69 | 0 | 0 | 0 | 0 | 114.2 | L935 I941 I995 K999 L1005 | L935-T939 WeakPolarHBondContact O-CB 3.28Å; L935-T939 PolarHBondContact O-N 2.79Å; L935-T939 PolarHBondContact O-OG1 2.99Å; T939-I941 PolarHBondContact O-N 2.88Å; T939-I941 PolarHBondContact OG1-N 3.39Å; T939-I995 HydrophobicContact CG2-CG2 3.87Å; T939-K999 HydrophobicContact CG2-CB 3.88Å; T939-K999 HydrophobicContact CG2-CD 4.12Å; T939-K999 HydrophobicContact CG2-CG 4.15Å; T939-L1005 VanDerWaalsContact O-CD1 3.22Å; T939-L1005 WeakPolarHBondContact O-CD1 3.24Å |
| 940 | G | 97 | Very high | 97.4 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 80.5 | -11.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | K936 | K936-G940 VanDerWaalsContact O-CA 3.27Å; K936-G940 WeakPolarHBondContact O-CA 3.45Å; K936-G940 PolarHBondContact O-N 3.24Å |
| 941 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -78.3 | 127.1 | 178.6 | -55.8 | -59.1 | 0 | 0 | 0 | 110.7 | K936 T939 D945 I995 V998 L1005 L1010 V1011 | K936-I941 WeakPolarHBondContact CA-O 3.41Å; K936-I941 WeakPolarHBondContact CB-O 3.19Å; T939-I941 PolarHBondContact O-N 2.88Å; T939-I941 PolarHBondContact OG1-N 3.39Å; I941-D945 HydrophobicContact CG2-CB 3.77Å; I941-I995 HydrophobicContact CB-CG1 4.32Å; I941-I995 HydrophobicContact CG1-CG1 4.43Å; I941-I995 HydrophobicContact CG2-CD1 4.18Å; I941-I995 HydrophobicContact CG2-CG1 3.96Å; I941-V998 HydrophobicContact CD1-CG1 4.29Å; I941-V998 HydrophobicContact CD1-CG2 4.39Å; I941-V998 HydrophobicContact CG1-CG1 4.36Å; I941-L1005 HydrophobicContact CD1-CD1 3.98Å; I941-L1010 HydrophobicContact CD1-CB 4.32Å; I941-L1010 HydrophobicContact CD1-CD1 4.18Å; I941-L1010 HydrophobicContact CG1-CD1 4.19Å; I941-L1010 HydrophobicContact CG2-CB 4.44Å; I941-L1010 HydrophobicContact CG2-CD1 4.19Å; I941-V1011 HydrophobicContact CD1-CG1 4.01Å | ||
| 942 | S | 97.2 | Very high | 97.3 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | trans | -101.5 | 170 | -174.8 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | L944 D945 I946 | S942-L944 PolarHBondContact O-N 3.27Å; S942-L944 PolarHBondContact OG-N 3.03Å; S942-D945 WeakPolarHBondContact CB-OD2 3.35Å; S942-D945 PolarHBondContact N-OD2 2.94Å; S942-D945 PolarHBondContact O-N 3.22Å; S942-D945 VanDerWaalsContact O-N 3.17Å; S942-D945 PolarHBondContact OG-N 3.47Å; S942-D945 PolarHBondContact OG-OD2 3.49Å; S942-I946 PolarHBondContact O-N 3.3Å | ||
| 943 | E | 97.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -30.7 | 170.9 | 75.3 | -70.1 | -178.9 | 0 | 0 | 112.5 | I932 K936 A947 S961 L968 | I932-E943 HydrophobicContact CB-CB 4.19Å; I932-E943 HydrophobicContact CG1-CB 4.1Å; I932-E943 HydrophobicContact CG2-CB 4.32Å; K936-E943 IonicContact NZ-OE2 3.47Å; K936-E943 PolarHBondContact NZ-OE2 2.84Å; E943-A947 VanDerWaalsContact O-CB 3.32Å; E943-A947 WeakPolarHBondContact O-CB 3.33Å; E943-A947 PolarHBondContact O-N 3.35Å; E943-S961 PolarHBondContact OE1-OG 2.93Å; E943-S961 VanDerWaalsContact OE1-OG 3.08Å; E943-L968 HydrophobicContact CB-CD2 4.09Å; E943-L968 HydrophobicContact CB-CG 4.31Å |
| 944 | L | 96.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68 | -42.2 | 176.2 | -177.3 | 65.5 | 0 | 0 | 0 | 111 | S942 I946 A947 K948 M960 | S942-L944 PolarHBondContact O-N 3.27Å; S942-L944 PolarHBondContact OG-N 3.03Å; L944-I946 VanDerWaalsContact C-N 3.34Å; L944-I946 PolarHBondContact O-N 2.86Å; L944-A947 PolarHBondContact O-N 2.87Å; L944-K948 HydrophobicContact CD1-CD 4.5Å; L944-K948 HydrophobicContact CD1-CG 4.44Å; L944-K948 WeakPolarHBondContact O-CG 3.41Å; L944-K948 PolarHBondContact O-N 3.43Å; L944-M960 HydrophobicContact CD1-CE 4.29Å; L944-M960 HydrophobicContact CD1-SD 4.27Å |
| 945 | D | 97.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.2 | -59.3 | -60.6 | 0 | 0 | 0 | 111 | I941 S942 K948 R949 L1010 R1049 | I941-D945 HydrophobicContact CG2-CB 3.77Å; S942-D945 WeakPolarHBondContact CB-OD2 3.35Å; S942-D945 PolarHBondContact N-OD2 2.94Å; S942-D945 PolarHBondContact O-N 3.22Å; S942-D945 VanDerWaalsContact O-N 3.17Å; S942-D945 PolarHBondContact OG-N 3.47Å; S942-D945 PolarHBondContact OG-OD2 3.49Å; D945-K948 PolarHBondContact O-N 3.34Å; D945-R949 VanDerWaalsContact O-CB 3.25Å; D945-R949 WeakPolarHBondContact O-CB 3.49Å; D945-R949 PolarHBondContact O-N 3.01Å; D945-L1010 HydrophobicContact CB-CB 4.25Å; D945-R1049 IonicContact OD1-CZ 2.92Å; D945-R1049 IonicContact OD1-NH1 3.12Å; D945-R1049 PolarHBondContact OD1-NH1 2.95Å; D945-R1049 IonicContact OD1-NH2 3.45Å; D945-R1049 PolarHBondContact OD1-NH2 2.99Å |
| 946 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 174 | -63.6 | 174.9 | 0 | 0 | 0 | 110.6 | F913 I932 S942 L944 K948 R949 L950 L968 M988 I991 I995 | F913-I946 HydrophobicContact CE1-CD1 3.99Å; I932-I946 HydrophobicContact CD1-CD1 3.83Å; I932-I946 HydrophobicContact CG1-CD1 4.2Å; I932-I946 HydrophobicContact CG2-CD1 3.72Å; S942-I946 PolarHBondContact O-N 3.3Å; L944-I946 VanDerWaalsContact C-N 3.34Å; L944-I946 PolarHBondContact O-N 2.86Å; I946-K948 VanDerWaalsContact C-N 3.34Å; I946-K948 PolarHBondContact O-N 3Å; I946-R949 PolarHBondContact O-N 3.36Å; I946-R949 VanDerWaalsContact O-N 3.17Å; I946-L950 HydrophobicContact CG2-CD1 4.36Å; I946-L950 WeakPolarHBondContact O-CG 3.27Å; I946-L950 PolarHBondContact O-N 3.46Å; I946-L968 HydrophobicContact CB-CD1 4.31Å; I946-L968 HydrophobicContact CG2-CD1 3.7Å; I946-M988 HydrophobicContact CG2-CE 4.19Å; I946-M988 HydrophobicContact CG2-SD 4.03Å; I946-I991 HydrophobicContact CB-CG2 4.45Å; I946-I991 HydrophobicContact CG1-CG2 3.97Å; I946-I991 HydrophobicContact CG2-CD1 4.48Å; I946-I991 HydrophobicContact CG2-CG2 4.16Å; I946-I995 HydrophobicContact CD1-CD1 4.02Å; I946-I995 HydrophobicContact CG1-CD1 4.18Å |
| 947 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E943 L944 A957 M960 | E943-A947 VanDerWaalsContact O-CB 3.32Å; E943-A947 WeakPolarHBondContact O-CB 3.33Å; E943-A947 PolarHBondContact O-N 3.35Å; L944-A947 PolarHBondContact O-N 2.87Å; A947-A957 HydrophobicContact CB-CB 3.51Å; A947-M960 HydrophobicContact CB-CG 4.11Å; A947-M960 HydrophobicContact CB-SD 3.21Å; A947-M960 WeakPolarHBondContact CB-SD 3.22Å |
| 948 | K | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 176 | -61.9 | -41.6 | 174.7 | 179.9 | 0 | 111.9 | E231 L944 D945 I946 I951 A1013 R1049 | E231-K948 VanDerWaalsContact CD-NZ 3.25Å; E231-K948 VanDerWaalsContact OE1-CE 3.3Å; E231-K948 WeakPolarHBondContact OE1-CE 3.38Å; E231-K948 IonicContact OE1-NZ 3.64Å; E231-K948 PolarHBondContact OE1-NZ 2.84Å; E231-K948 VanDerWaalsContact OE1-NZ 3.09Å; E231-K948 IonicContact OE2-NZ 2.9Å; E231-K948 PolarHBondContact OE2-NZ 3.17Å; L944-K948 HydrophobicContact CD1-CD 4.5Å; L944-K948 HydrophobicContact CD1-CG 4.44Å; L944-K948 WeakPolarHBondContact O-CG 3.41Å; L944-K948 PolarHBondContact O-N 3.43Å; D945-K948 PolarHBondContact O-N 3.34Å; I946-K948 VanDerWaalsContact C-N 3.34Å; I946-K948 PolarHBondContact O-N 3Å; K948-I951 HydrophobicContact CD-CD1 4.22Å; K948-I951 VanDerWaalsContact O-CB 3.31Å; K948-I951 WeakPolarHBondContact O-CB 3.34Å; K948-I951 PolarHBondContact O-N 2.92Å; K948-A1013 HydrophobicContact CB-CB 4.16Å; K948-A1013 WeakPolarHBondContact CB-O 3.28Å; K948-R1049 HydrophobicContact CG-CG 4.39Å |
| 949 | R | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.8 | -35.5 | 177.9 | -170.5 | 62 | 173.2 | 144.3 | 8 | 112.7 | D945 I946 I951 D952 Y953 I991 E994 P1009 L1010 A1013 V1032 A1033 | D945-R949 VanDerWaalsContact O-CB 3.25Å; D945-R949 WeakPolarHBondContact O-CB 3.49Å; D945-R949 PolarHBondContact O-N 3.01Å; I946-R949 PolarHBondContact O-N 3.36Å; I946-R949 VanDerWaalsContact O-N 3.17Å; R949-I951 PolarHBondContact O-N 2.66Å; R949-I951 VanDerWaalsContact O-N 3.14Å; R949-D952 IonicContact CZ-OD2 3.14Å; R949-D952 IonicContact NH1-OD2 3.76Å; R949-D952 PolarHBondContact NH1-OD2 3.42Å; R949-D952 WeakPolarHBondContact O-CB 3.48Å; R949-D952 PolarHBondContact O-N 3.04Å; R949-Y953 HydrophobicContact CG-CD2 4.4Å; R949-Y953 HydrophobicContact CG-CE2 4.09Å; R949-Y953 WeakPolarHBondContact O-CD2 3.06Å; R949-I991 HydrophobicContact CB-CD1 4.11Å; R949-I991 HydrophobicContact CB-CG1 4.39Å; R949-I991 HydrophobicContact CG-CD1 3.98Å; R949-I991 HydrophobicContact CG-CG1 3.82Å; R949-E994 IonicContact CZ-OE1 3.68Å; R949-E994 IonicContact CZ-OE2 3.98Å; R949-E994 IonicContact NE-OE1 2.76Å; R949-E994 PolarHBondContact NE-OE1 3.46Å; R949-E994 IonicContact NE-OE2 3.34Å; R949-E994 PolarHBondContact NE-OE2 2.93Å; R949-E994 IonicContact NH2-OE1 3.73Å; R949-E994 PolarHBondContact NH2-OE1 3.41Å; R949-E994 IonicContact NH2-OE2 3.89Å; R949-E994 PolarHBondContact NH2-OE2 2.57Å; R949-P1009 VanDerWaalsContact CZ-CB 3.43Å; R949-L1010 HydrophobicContact CB-CD2 3.9Å; R949-L1010 HydrophobicContact CG-CD2 3.77Å; R949-A1013 HydrophobicContact CB-CB 4.1Å; R949-V1032 PolarHBondContact NH2-O 3.28Å; R949-A1033 PolarHBondContact NH1-O 3.42Å |
| 950 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.5 | -29.5 | 174.3 | -80.8 | 169.1 | 0 | 0 | 0 | 113.3 | I946 D952 Y953 G954 F955 F984 A987 M988 I991 | I946-L950 HydrophobicContact CG2-CD1 4.36Å; I946-L950 WeakPolarHBondContact O-CG 3.27Å; I946-L950 PolarHBondContact O-N 3.46Å; L950-D952 VanDerWaalsContact C-N 3.28Å; L950-D952 PolarHBondContact O-N 3.01Å; L950-Y953 CarbonylContact O-C 3.49Å; L950-Y953 WeakPolarHBondContact O-CA 3.24Å; L950-Y953 WeakPolarHBondContact O-CB 3.44Å; L950-Y953 PolarHBondContact O-N 2.88Å; L950-Y953 VanDerWaalsContact O-N 3.09Å; L950-G954 PolarHBondContact O-N 3.19Å; L950-F955 CarbonylContact C-O 3.56Å; L950-F955 HydrophobicContact CB-CB 4.32Å; L950-F955 HydrophobicContact CD2-CB 4.45Å; L950-F955 PolarHBondContact O-N 2.86Å; L950-F984 HydrophobicContact CD1-CE2 4.17Å; L950-F984 HydrophobicContact CD2-CD2 4.47Å; L950-F984 HydrophobicContact CD2-CE2 4.1Å; L950-A987 HydrophobicContact CD2-CB 4.21Å; L950-M988 HydrophobicContact CD1-SD 3.98Å; L950-M988 HydrophobicContact CD2-CG 4.43Å; L950-M988 HydrophobicContact CD2-SD 3.94Å; L950-M988 HydrophobicContact CG-SD 4.28Å; L950-I991 HydrophobicContact CD2-CD1 3.79Å; L950-I991 HydrophobicContact CG-CD1 3.81Å |
| 951 | I | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 175 | -60.4 | 167.2 | 0 | 0 | 0 | 111 | E231 V232 K948 R949 Y953 G954 F955 P1014 Y1043 P1045 | E231-I951 HydrophobicContact CB-CD1 4.03Å; V232-I951 HydrophobicContact CG1-CB 4.2Å; V232-I951 HydrophobicContact CG1-CD1 3.85Å; V232-I951 HydrophobicContact CG1-CG1 3.74Å; V232-I951 HydrophobicContact CG1-CG2 3.44Å; V232-I951 VanDerWaalsContact CG1-CG2 3.44Å; K948-I951 HydrophobicContact CD-CD1 4.22Å; K948-I951 VanDerWaalsContact O-CB 3.31Å; K948-I951 WeakPolarHBondContact O-CB 3.34Å; K948-I951 PolarHBondContact O-N 2.92Å; R949-I951 PolarHBondContact O-N 2.66Å; R949-I951 VanDerWaalsContact O-N 3.14Å; I951-Y953 PolarHBondContact O-N 2.87Å; I951-G954 PolarHBondContact O-N 3.43Å; I951-F955 WeakPolarHBondContact CA-O 3.4Å; I951-F955 PolarHBondContact N-O 3.08Å; I951-P1014 HydrophobicContact CB-CB 4.04Å; I951-P1014 HydrophobicContact CD1-CB 4.1Å; I951-P1014 HydrophobicContact CD1-CG 4.13Å; I951-P1014 HydrophobicContact CG2-CB 3.92Å; I951-Y1043 HydrophobicContact CG2-CD1 4.5Å; I951-P1045 HydrophobicContact CG2-CB 3.85Å; I951-P1045 HydrophobicContact CG2-CG 4.11Å |
| 952 | D | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.9 | -26.8 | 178.5 | -64.7 | -34.5 | 0 | 0 | 0 | 112.1 | R949 L950 G954 A1013 H1015 P1036 K1042 | R949-D952 IonicContact CZ-OD2 3.14Å; R949-D952 IonicContact NH1-OD2 3.76Å; R949-D952 PolarHBondContact NH1-OD2 3.42Å; R949-D952 WeakPolarHBondContact O-CB 3.48Å; R949-D952 PolarHBondContact O-N 3.04Å; L950-D952 VanDerWaalsContact C-N 3.28Å; L950-D952 PolarHBondContact O-N 3.01Å; D952-G954 VanDerWaalsContact C-N 3.29Å; D952-A1013 WeakPolarHBondContact OD2-CB 3.3Å; D952-H1015 PolarHBondContact OD1-N 3.24Å; D952-H1015 IonicContact OD1-ND1 3.99Å; D952-H1015 IonicContact OD2-CE1 3.34Å; D952-H1015 IonicContact OD2-CG 3.68Å; D952-H1015 IonicContact OD2-ND1 3.54Å; D952-H1015 PolarHBondContact OD2-ND1 3.46Å; D952-P1036 HydrophobicContact CB-CG 4.23Å; D952-K1042 PolarHBondContact O-NZ 3.16Å |
| 953 | Y | 97.5 | Very high | 96.5 | Very high | 18 Ų | 18 | 15.8 Ų | 15.8 | 7% | 0.071 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 1 | 172 | -74 | -99.9 | 0 | 0 | 0 | 113.3 | R949 L950 I951 A987 A990 I991 E994 P1036 A1037 | R949-Y953 HydrophobicContact CG-CD2 4.4Å; R949-Y953 HydrophobicContact CG-CE2 4.09Å; R949-Y953 WeakPolarHBondContact O-CD2 3.06Å; L950-Y953 CarbonylContact O-C 3.49Å; L950-Y953 WeakPolarHBondContact O-CA 3.24Å; L950-Y953 WeakPolarHBondContact O-CB 3.44Å; L950-Y953 PolarHBondContact O-N 2.88Å; L950-Y953 VanDerWaalsContact O-N 3.09Å; I951-Y953 PolarHBondContact O-N 2.87Å; Y953-A987 HydrophobicContact CD1-CB 3.49Å; Y953-A987 VanDerWaalsContact CD1-CB 3.49Å; Y953-A987 HydrophobicContact CE1-CB 4.22Å; Y953-A987 HydrophobicContact CG-CB 3.78Å; Y953-A990 HydrophobicContact CE1-CB 3.74Å; Y953-A990 VanDerWaalsContact OH-CB 3.29Å; Y953-A990 WeakPolarHBondContact OH-CB 3.42Å; Y953-I991 HydrophobicContact CD2-CD1 4.19Å; Y953-I991 HydrophobicContact CD2-CG1 4.26Å; Y953-I991 HydrophobicContact CE2-CD1 4.2Å; Y953-I991 HydrophobicContact CE2-CG1 3.76Å; Y953-E994 PolarHBondContact OH-OE1 2.84Å; Y953-P1036 HydrophobicContact CD1-CB 4.15Å; Y953-P1036 HydrophobicContact CD1-CG 4Å; Y953-P1036 HydrophobicContact CD2-CB 4.2Å; Y953-P1036 HydrophobicContact CD2-CG 3.66Å; Y953-P1036 HydrophobicContact CE1-CB 3.65Å; Y953-P1036 HydrophobicContact CE1-CG 4Å; Y953-P1036 HydrophobicContact CE2-CB 3.7Å; Y953-P1036 HydrophobicContact CE2-CG 3.64Å; Y953-P1036 HydrophobicContact CG-CB 4.41Å; Y953-P1036 HydrophobicContact CG-CG 3.84Å; Y953-P1036 VanDerWaalsContact CZ-CB 3.4Å; Y953-A1037 HydrophobicContact CD1-CB 4.14Å |
| 954 | G | 96.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 15.5 Ų | 15.5 | 17% | 0.165 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 22.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A618 L950 I951 D952 | A618-G954 VanDerWaalsContact CB-O 3.3Å; A618-G954 WeakPolarHBondContact CB-O 3.32Å; L950-G954 PolarHBondContact O-N 3.19Å; I951-G954 PolarHBondContact O-N 3.43Å; D952-G954 VanDerWaalsContact C-N 3.29Å |
| 955 | F | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -117.8 | 143.4 | 178.1 | -71.8 | -74.8 | 0 | 0 | 0 | 112.6 | A618 M619 L950 I951 R983 F984 A987 | A618-F955 HydrophobicContact CB-CD1 4.25Å; A618-F955 HydrophobicContact CB-CE1 4.39Å; M619-F955 HydrophobicContact CB-CE1 4.33Å; M619-F955 HydrophobicContact CE-CE1 4.37Å; L950-F955 CarbonylContact C-O 3.56Å; L950-F955 HydrophobicContact CB-CB 4.32Å; L950-F955 HydrophobicContact CD2-CB 4.45Å; L950-F955 PolarHBondContact O-N 2.86Å; I951-F955 WeakPolarHBondContact CA-O 3.4Å; I951-F955 PolarHBondContact N-O 3.08Å; F955-R983 HydrophobicContact CE2-CB 4.41Å; F955-R983 HydrophobicContact CE2-CG 3.93Å; F955-R983 HydrophobicContact CZ-CB 3.96Å; F955-R983 HydrophobicContact CZ-CG 3.86Å; F955-R983 VanDerWaalsContact CZ-NE 3.26Å; F955-F984 HydrophobicContact CD1-CD2 4.05Å; F955-F984 HydrophobicContact CD2-CD2 4.25Å; F955-F984 HydrophobicContact CE1-CB 4.01Å; F955-F984 HydrophobicContact CE1-CD2 4.28Å; F955-F984 HydrophobicContact CE2-CB 4.17Å; F955-F984 HydrophobicContact CE2-CD2 4.46Å; F955-F984 HydrophobicContact CG-CD2 4.03Å; F955-F984 HydrophobicContact CZ-CB 3.75Å; F955-F984 HydrophobicContact CZ-CD2 4.47Å; F955-A987 HydrophobicContact CD2-CB 4.26Å; F955-A987 HydrophobicContact CE2-CB 4.18Å | ||
| 956 | H | 98.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | trans | -71.1 | 142.5 | 156.6 | -171.2 | -69.9 | 0 | 0 | 0 | 108.7 | Q229 L613 I620 | Q229-H956 WeakPolarHBondContact CG-CE1 3.27Å; L613-H956 HydrophobicContact CD2-CB 4.07Å; I620-H956 HydrophobicContact CB-CB 4.28Å; I620-H956 HydrophobicContact CD1-CB 4.5Å; I620-H956 HydrophobicContact CG1-CB 3.87Å; I620-H956 HydrophobicContact CG2-CB 3.9Å | ||
| 957 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -65.2 | 150.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q229 L622 A947 | Q229-A957 HydrophobicContact CG-CB 4.08Å; L622-A957 WeakPolarHBondContact CD2-O 3.27Å; A947-A957 HydrophobicContact CB-CB 3.51Å | ||
| 958 | P | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.013 | 10% | 0.104 | C | C | . | . | trans | -62.5 | 176.6 | 164.5 | 28.1 | -35.1 | 0 | 0 | 0 | 111.8 | P621 M960 L968 M969 V970 F984 | P621-P958 HydrophobicContact CG-CB 4.36Å; P621-P958 WeakPolarHBondContact O-CA 3.35Å; P621-P958 WeakPolarHBondContact O-CB 3.46Å; P958-M960 PolarHBondContact O-N 3.14Å; P958-L968 HydrophobicContact CG-CB 3.9Å; P958-L968 HydrophobicContact CG-CD1 4.19Å; P958-L968 HydrophobicContact CG-CD2 4.21Å; P958-L968 HydrophobicContact CG-CG 4.32Å; P958-M969 VanDerWaalsContact CB-O 3.3Å; P958-M969 WeakPolarHBondContact CB-O 3.06Å; P958-V970 HydrophobicContact CB-CB 4.43Å; P958-V970 HydrophobicContact CB-CG2 3.87Å; P958-V970 HydrophobicContact CG-CG2 4.1Å; P958-F984 HydrophobicContact CG-CZ 4.45Å | ||
| 959 | T | 97 | Very high | 96.1 | Very high | 19 Ų | 19 | 15.6 Ų | 15.6 | 12% | 0.117 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 125.3 | 179.6 | -70.4 | 0 | 0 | 0 | 0 | 109.6 | G623 F962 L968 M969 | G623-T959 PolarHBondContact N-OG1 3.25Å; G623-T959 VanDerWaalsContact N-OG1 3.09Å; G623-T959 PolarHBondContact O-OG1 3.02Å; T959-F962 HydrophobicContact CG2-CB 4.28Å; T959-F962 HydrophobicContact CG2-CD1 4.31Å; T959-L968 CarbonylContact O-C 3.42Å; T959-L968 WeakPolarHBondContact O-CA 3.46Å; T959-M969 HydrophobicContact CG2-CE 4.23Å; T959-M969 PolarHBondContact N-O 2.83Å; T959-M969 PolarHBondContact O-N 3.5Å |
| 960 | M | 93.9 | Very high | 96.1 | Very high | 54 Ų | 54 | 15.6 Ų | 15.6 | 27% | 0.266 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.7 | -173.5 | -60.4 | -170.4 | -57.7 | 0 | 0 | 112 | Q229 L944 A947 P958 F962 L968 | Q229-M960 PolarHBondContact NE2-SD 2.83Å; L944-M960 HydrophobicContact CD1-CE 4.29Å; L944-M960 HydrophobicContact CD1-SD 4.27Å; A947-M960 HydrophobicContact CB-CG 4.11Å; A947-M960 HydrophobicContact CB-SD 3.21Å; A947-M960 WeakPolarHBondContact CB-SD 3.22Å; P958-M960 PolarHBondContact O-N 3.14Å; M960-F962 PolarHBondContact O-N 2.8Å; M960-L968 HydrophobicContact CB-CD2 4.43Å; M960-L968 HydrophobicContact CG-CD2 3.9Å |
| 961 | S | 92.6 | Very high | 96.1 | Very high | 46 Ų | 46 | 15.6 Ų | 15.6 | 32% | 0.322 | 10% | 0.102 | S | C | . | . | S | Bend | trans | 55.5 | 23.4 | 167.5 | -79.4 | 0 | 0 | 0 | 0 | 115.4 | E943 V964 G966 T967 | E943-S961 PolarHBondContact OE1-OG 2.93Å; E943-S961 VanDerWaalsContact OE1-OG 3.08Å; S961-V964 CarbonylContact C-O 3.54Å; S961-V964 VanDerWaalsContact C-O 3.31Å; S961-V964 WeakPolarHBondContact CA-O 3.35Å; S961-G966 PolarHBondContact OG-N 2.79Å; S961-T967 PolarHBondContact N-O 3.34Å |
| 962 | F | 90.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 15.7 Ų | 15.7 | 16% | 0.158 | 10% | 0.103 | C | C | . | . | trans | -144.7 | 138.7 | 173.8 | 176 | -89.4 | 0 | 0 | 0 | 109.2 | H718 T959 M960 V964 M969 | H718-F962 HydrophobicContact CB-CZ 4.2Å; H718-F962 AromaticContact CD2-CE1 3.91Å; H718-F962 AromaticContact CD2-CZ 3.77Å; T959-F962 HydrophobicContact CG2-CB 4.28Å; T959-F962 HydrophobicContact CG2-CD1 4.31Å; M960-F962 PolarHBondContact O-N 2.8Å; F962-V964 VanDerWaalsContact C-N 3.29Å; F962-M969 HydrophobicContact CD1-CE 4.36Å | ||
| 963 | P | 89.6 | Confident | 96.2 | Very high | 29 Ų | 29 | 15.6 Ų | 15.6 | 19% | 0.188 | 10% | 0.102 | C | C | . | . | S | Bend | cis | -73.5 | -11.3 | -3.4 | 32.5 | -38.9 | 0 | 0 | 0 | 114.1 | T769 H770 I929 M969 | T769-P963 WeakPolarHBondContact O-CG 3.3Å; H770-P963 VanDerWaalsContact CD2-CG 3.42Å; H770-P963 WeakPolarHBondContact CD2-CG 3.32Å; I929-P963 HydrophobicContact CD1-CG 3.75Å; P963-M969 WeakPolarHBondContact CD-SD 3.41Å; P963-M969 HydrophobicContact CG-SD 4.48Å |
| 964 | V | 92.7 | Very high | 96.3 | Very high | 18 Ų | 18 | 14.8 Ų | 14.8 | 11% | 0.109 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -110.2 | 124 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | L916 Y917 R933 S961 F962 G966 T967 | L916-V964 HydrophobicContact CD2-CB 4.14Å; L916-V964 HydrophobicContact CD2-CG1 3.99Å; L916-V964 HydrophobicContact CD2-CG2 3.91Å; Y917-V964 HydrophobicContact CE2-CG2 3.75Å; R933-V964 VanDerWaalsContact NH1-CG1 3.33Å; S961-V964 CarbonylContact C-O 3.54Å; S961-V964 VanDerWaalsContact C-O 3.31Å; S961-V964 WeakPolarHBondContact CA-O 3.35Å; F962-V964 VanDerWaalsContact C-N 3.29Å; V964-G966 PolarHBondContact O-N 2.91Å; V964-T967 HydrophobicContact CB-CG2 3.84Å; V964-T967 HydrophobicContact CG1-CG2 3.7Å; V964-T967 PolarHBondContact O-N 3.36Å; V964-T967 PolarHBondContact O-OG1 3.09Å |
| 965 | A | 93.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 15 Ų | 15 | 60% | 0.603 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 136.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R933 | R933-A965 WeakPolarHBondContact CD-O 3.25Š|
| 966 | G | 95.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 19.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I932 R933 S961 V964 | I932-G966 WeakPolarHBondContact CB-O 3.27Å; R933-G966 WeakPolarHBondContact CG-O 3.25Å; S961-G966 PolarHBondContact OG-N 2.79Å; V964-G966 PolarHBondContact O-N 2.91Å |
| 967 | T | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 169.2 | -178.4 | 71.2 | 0 | 0 | 0 | 0 | 112 | L916 I929 L930 S961 V964 | L916-T967 HydrophobicContact CD2-CG2 4.17Å; I929-T967 HydrophobicContact CG2-CG2 4.1Å; L930-T967 WeakPolarHBondContact O-CB 3.33Å; S961-T967 PolarHBondContact N-O 3.34Å; V964-T967 HydrophobicContact CB-CG2 3.84Å; V964-T967 HydrophobicContact CG1-CG2 3.7Å; V964-T967 PolarHBondContact O-N 3.36Å; V964-T967 PolarHBondContact O-OG1 3.09Å |
| 968 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.9 | 173.5 | -63.1 | 178.2 | 0 | 0 | 0 | 109.9 | I929 L930 I932 E943 I946 P958 T959 M960 M988 | I929-L968 CarbonylContact C-O 3.49Å; I929-L968 WeakPolarHBondContact CA-O 3.02Å; L930-L968 HydrophobicContact CB-CB 4.49Å; L930-L968 PolarHBondContact N-O 3.17Å; L930-L968 PolarHBondContact O-N 3.48Å; L930-L968 VanDerWaalsContact O-N 3.15Å; I932-L968 HydrophobicContact CD1-CD1 4.36Å; I932-L968 HydrophobicContact CG1-CD1 4.33Å; I932-L968 HydrophobicContact CG1-CG 4.14Å; E943-L968 HydrophobicContact CB-CD2 4.09Å; E943-L968 HydrophobicContact CB-CG 4.31Å; I946-L968 HydrophobicContact CB-CD1 4.31Å; I946-L968 HydrophobicContact CG2-CD1 3.7Å; P958-L968 HydrophobicContact CG-CB 3.9Å; P958-L968 HydrophobicContact CG-CD1 4.19Å; P958-L968 HydrophobicContact CG-CD2 4.21Å; P958-L968 HydrophobicContact CG-CG 4.32Å; T959-L968 CarbonylContact O-C 3.42Å; T959-L968 WeakPolarHBondContact O-CA 3.46Å; M960-L968 HydrophobicContact CB-CD2 4.43Å; M960-L968 HydrophobicContact CG-CD2 3.9Å; L968-M988 HydrophobicContact CD1-CE 4.3Å |
| 969 | M | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.8 | 177.8 | -170.3 | 168.3 | 73.6 | 0 | 0 | 111.1 | G623 C928 I929 P958 T959 F962 P963 | G623-M969 VanDerWaalsContact C-CE 3.47Å; G623-M969 WeakPolarHBondContact CA-O 3.4Å; G623-M969 PolarHBondContact N-O 3.45Å; C928-M969 CarbonylContact O-C 3.48Å; C928-M969 WeakPolarHBondContact O-CA 3.27Å; I929-M969 HydrophobicContact CD1-CG 4.49Å; I929-M969 HydrophobicContact CD1-SD 4.08Å; I929-M969 HydrophobicContact CG1-CB 3.99Å; I929-M969 HydrophobicContact CG1-CG 3.72Å; I929-M969 HydrophobicContact CG1-SD 3.95Å; P958-M969 VanDerWaalsContact CB-O 3.3Å; P958-M969 WeakPolarHBondContact CB-O 3.06Å; T959-M969 HydrophobicContact CG2-CE 4.23Å; T959-M969 PolarHBondContact N-O 2.83Å; T959-M969 PolarHBondContact O-N 3.5Å; F962-M969 HydrophobicContact CD1-CE 4.36Å; P963-M969 WeakPolarHBondContact CD-SD 3.41Å; P963-M969 HydrophobicContact CG-SD 4.48Å |
| 970 | V | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.1 | -168.3 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | P621 I905 E927 C928 L930 P958 F984 | P621-V970 HydrophobicContact CB-CG1 3.89Å; I905-V970 HydrophobicContact CD1-CG1 4.16Å; I905-V970 HydrophobicContact CG2-CG1 4.28Å; E927-V970 CarbonylContact C-O 3.51Å; E927-V970 WeakPolarHBondContact CA-O 3.27Å; E927-V970 WeakPolarHBondContact CB-O 3.36Å; C928-V970 PolarHBondContact N-O 3.05Å; C928-V970 PolarHBondContact O-N 3.43Å; L930-V970 HydrophobicContact CD1-CG2 3.93Å; L930-V970 HydrophobicContact CG-CG2 4.2Å; P958-V970 HydrophobicContact CB-CB 4.43Å; P958-V970 HydrophobicContact CB-CG2 3.87Å; P958-V970 HydrophobicContact CG-CG2 4.1Å; V970-F984 HydrophobicContact CG1-CE1 3.85Å; V970-F984 HydrophobicContact CG1-CZ 4.2Å; V970-F984 HydrophobicContact CG2-CE1 4.47Å; V970-F984 HydrophobicContact CG2-CZ 4.47Å |
| 971 | E | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -126 | 104.1 | 173.9 | -179.8 | -173.4 | 178.1 | 0 | 0 | 109.3 | P621 S624 C625 T626 H926 E927 T973 | P621-E971 CarbonylContact C-O 3.09Å; P621-E971 VanDerWaalsContact CA-O 3.28Å; P621-E971 WeakPolarHBondContact CA-O 3.35Å; P621-E971 PolarHBondContact O-N 3.15Å; S624-E971 PolarHBondContact N-OE2 2.91Å; C625-E971 PolarHBondContact N-OE2 3.16Å; T626-E971 WeakPolarHBondContact CA-OE1 3.44Å; T626-E971 WeakPolarHBondContact CB-OE1 3.28Å; T626-E971 VanDerWaalsContact N-CD 3.29Å; T626-E971 PolarHBondContact N-OE1 3.22Å; T626-E971 PolarHBondContact N-OE2 2.84Å; T626-E971 PolarHBondContact OG1-OE1 2.83Å; H926-E971 IonicContact CD2-OE1 2.71Å; H926-E971 PolarHBondContact CD2-OE1 2.91Å; H926-E971 VanDerWaalsContact CD2-OE1 3.26Å; H926-E971 IonicContact NE2-OE1 3.83Å; E927-E971 HydrophobicContact CB-CB 3.84Å; E927-E971 HydrophobicContact CB-CG 4.27Å; E971-T973 HydrophobicContact CG-CG2 4.43Å | ||
| 972 | P | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | trans | -80.1 | -22.1 | -176.4 | 29.2 | -34.3 | 0 | 0 | 0 | 114.4 | M619 N901 A902 I905 E976 L981 | M619-P972 HydrophobicContact SD-CB 3.87Å; N901-P972 HydrophobicContact CB-CB 4.22Å; N901-P972 HydrophobicContact CB-CG 3.66Å; A902-P972 HydrophobicContact CB-CG 4.31Å; I905-P972 HydrophobicContact CD1-CB 3.78Å; I905-P972 HydrophobicContact CD1-CG 3.92Å; P972-E976 WeakPolarHBondContact O-CG 3.44Å; P972-L981 HydrophobicContact CB-CD2 3.57Å | ||
| 973 | T | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | trans | 62.5 | 173 | -168.3 | 83.9 | 0 | 0 | 0 | 0 | 114.3 | T626 K628 N901 E971 S975 | T626-T973 HydrophobicContact CG2-CG2 3.94Å; K628-T973 HydrophobicContact CB-CG2 4.24Å; N901-T973 PolarHBondContact ND2-O 2.69Å; E971-T973 HydrophobicContact CG-CG2 4.43Å; T973-S975 PolarHBondContact OG1-N 2.79Å | ||
| 974 | E | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -78 | -17.2 | 178 | 70.2 | -81.3 | -167.7 | 0 | 0 | 114.4 | H131 I132 G133 K628 N799 A894 V897 A898 E976 | H131-E974 IonicContact CD2-OE1 3.55Å; H131-E974 IonicContact CE1-OE1 3.56Å; H131-E974 IonicContact NE2-OE1 2.76Å; H131-E974 PolarHBondContact NE2-OE1 3.34Å; I132-E974 CarbonylContact C-O 3.5Å; I132-E974 WeakPolarHBondContact CA-O 3.46Å; I132-E974 HydrophobicContact CG1-CG 4.45Å; G133-E974 PolarHBondContact N-O 3.15Å; K628-E974 WeakPolarHBondContact CE-OE1 3.31Å; K628-E974 IonicContact NZ-OE1 3.94Å; K628-E974 PolarHBondContact NZ-OE1 2.74Å; K628-E974 IonicContact NZ-OE2 3.73Å; N799-E974 PolarHBondContact ND2-OE2 2.79Å; A894-E974 HydrophobicContact CB-CG 3.85Å; A894-E974 VanDerWaalsContact O-CB 3.29Å; A894-E974 WeakPolarHBondContact O-CB 3.37Å; V897-E974 HydrophobicContact CB-CB 4.11Å; V897-E974 HydrophobicContact CG1-CB 4.21Å; A898-E974 HydrophobicContact CB-CB 4.23Å; E974-E976 VanDerWaalsContact C-N 3.34Å |
| 975 | S | 98.8 | Very high | 98 | Very high | 21 Ų | 21 | 21 Ų | 21 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -82.3 | -13.1 | -171.3 | -63.3 | 0 | 0 | 0 | 0 | 114 | H131 G133 L629 T973 | H131-S975 VanDerWaalsContact O-CA 3.23Å; H131-S975 WeakPolarHBondContact O-CA 3.34Å; H131-S975 WeakPolarHBondContact O-CB 3.28Å; H131-S975 PolarHBondContact O-OG 3.46Å; G133-S975 VanDerWaalsContact CA-O 3.27Å; G133-S975 WeakPolarHBondContact CA-O 3.3Å; L629-S975 WeakPolarHBondContact CB-OG 3.43Å; L629-S975 PolarHBondContact N-OG 2.9Å; L629-S975 VanDerWaalsContact N-OG 3.08Å; T973-S975 PolarHBondContact OG1-N 2.79Å |
| 976 | E | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 14% | 0.136 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -92.1 | 125.8 | -176.2 | -57.5 | -66.6 | -176.4 | 0 | 0 | 111.3 | P134 M619 N901 P972 E974 E980 L981 | P134-E976 VanDerWaalsContact CD-O 3.23Å; P134-E976 WeakPolarHBondContact CD-O 3.22Å; P134-E976 WeakPolarHBondContact CG-O 3.47Å; M619-E976 WeakPolarHBondContact CA-OE1 3.12Å; M619-E976 HydrophobicContact CB-CG 4.02Å; M619-E976 HydrophobicContact CG-CG 3.71Å; M619-E976 HydrophobicContact SD-CB 4.07Å; M619-E976 HydrophobicContact SD-CG 3.8Å; N901-E976 PolarHBondContact ND2-O 2.91Å; P972-E976 WeakPolarHBondContact O-CG 3.44Å; E974-E976 VanDerWaalsContact C-N 3.34Å; E976-E980 HydrophobicContact CB-CB 4.48Å; E976-E980 HydrophobicContact CB-CG 4.38Å; E976-L981 HydrophobicContact CB-CD2 3.93Å |
| 977 | S | 98.1 | Very high | 98.4 | Very high | 38 Ų | 38 | 21.5 Ų | 21.5 | 27% | 0.266 | 11% | 0.114 | S | C | . | . | trans | -66.6 | 157.9 | -178.6 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | V979 E980 L981 | S977-V979 PolarHBondContact O-N 3.19Å; S977-V979 VanDerWaalsContact O-N 3.12Å; S977-E980 WeakPolarHBondContact O-CB 3.34Å; S977-E980 PolarHBondContact O-N 3.26Å; S977-E980 PolarHBondContact OG-N 2.88Å; S977-L981 WeakPolarHBondContact O-CG 3.42Å; S977-L981 PolarHBondContact O-N 3.04Å | ||
| 978 | K | 98.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 21.5 Ų | 21.5 | 13% | 0.13 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.1 | -35.1 | 175.4 | -178.4 | -179.6 | 178.6 | -67.6 | 0 | 112.7 | Q138 E141 M142 Y904 E980 L981 D982 | Q138-K978 HydrophobicContact CB-CB 3.88Å; Q138-K978 HydrophobicContact CB-CD 4.04Å; Q138-K978 HydrophobicContact CG-CB 4.01Å; Q138-K978 HydrophobicContact CG-CD 4.23Å; E141-K978 HydrophobicContact CB-CD 4.4Å; E141-K978 WeakPolarHBondContact OE2-CE 3.28Å; E141-K978 IonicContact OE2-NZ 3.44Å; E141-K978 PolarHBondContact OE2-NZ 3.45Å; M142-K978 HydrophobicContact CG-CD 3.86Å; M142-K978 HydrophobicContact CG-CG 4.11Å; M142-K978 HydrophobicContact SD-CB 3.93Å; M142-K978 HydrophobicContact SD-CD 4.24Å; M142-K978 HydrophobicContact SD-CG 4.01Å; Y904-K978 WeakPolarHBondContact OH-CE 3.21Å; K978-E980 VanDerWaalsContact C-N 3.31Å; K978-E980 PolarHBondContact O-N 3.2Å; K978-L981 PolarHBondContact O-N 3.1Å; K978-D982 IonicContact NZ-OD2 3.15Å; K978-D982 PolarHBondContact NZ-OD2 3.19Å; K978-D982 WeakPolarHBondContact O-CB 3.26Å; K978-D982 PolarHBondContact O-N 2.84Å |
| 979 | V | 97.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 24.4 Ų | 24.4 | 58% | 0.582 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -61 | -41.5 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | S977 R983 | S977-V979 PolarHBondContact O-N 3.19Å; S977-V979 VanDerWaalsContact O-N 3.12Å; V979-R983 PolarHBondContact O-N 3.11Å |
| 980 | E | 98.1 | Very high | 98.5 | Very high | 22 Ų | 22 | 26 Ų | 26 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -43.5 | 177.8 | -171.6 | 69.3 | -169.4 | 0 | 0 | 111.6 | A618 M619 E976 S977 K978 R983 F984 | A618-E980 WeakPolarHBondContact CA-OE1 3.23Å; M619-E980 HydrophobicContact CB-CG 3.6Å; M619-E980 WeakPolarHBondContact CB-OE1 3.37Å; M619-E980 PolarHBondContact N-OE1 2.99Å; E976-E980 HydrophobicContact CB-CB 4.48Å; E976-E980 HydrophobicContact CB-CG 4.38Å; S977-E980 WeakPolarHBondContact O-CB 3.34Å; S977-E980 PolarHBondContact O-N 3.26Å; S977-E980 PolarHBondContact OG-N 2.88Å; K978-E980 VanDerWaalsContact C-N 3.31Å; K978-E980 PolarHBondContact O-N 3.2Å; E980-R983 PolarHBondContact O-N 2.97Å; E980-R983 IonicContact OE1-CZ 3.52Å; E980-R983 IonicContact OE1-NH1 3.9Å; E980-R983 IonicContact OE1-NH2 3.83Å; E980-R983 PolarHBondContact OE1-NH2 3.08Å; E980-R983 IonicContact OE2-CZ 3.64Å; E980-R983 IonicContact OE2-NH1 3.64Å; E980-R983 PolarHBondContact OE2-NH1 3.42Å; E980-R983 IonicContact OE2-NH2 2.78Å; E980-R983 PolarHBondContact OE2-NH2 3.38Å; E980-R983 VanDerWaalsContact OE2-NH2 3.13Å; E980-F984 PolarHBondContact O-N 3.26Å; E980-F984 VanDerWaalsContact O-N 3.08Å |
| 981 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 175.7 | -54.4 | -178.6 | 0 | 0 | 0 | 111.1 | M142 M619 N901 Y904 I905 P972 E976 S977 K978 R983 F984 I985 | M142-L981 HydrophobicContact CE-CD1 3.41Å; M142-L981 VanDerWaalsContact CE-CD1 3.41Å; M142-L981 HydrophobicContact SD-CD1 4.33Å; M619-L981 HydrophobicContact CE-CD2 4.43Å; M619-L981 HydrophobicContact SD-CD2 3.87Å; N901-L981 HydrophobicContact CB-CD1 3.85Å; Y904-L981 HydrophobicContact CD1-CB 4.31Å; Y904-L981 HydrophobicContact CD1-CD1 4.18Å; Y904-L981 HydrophobicContact CE1-CB 4.33Å; I905-L981 HydrophobicContact CD1-CD2 4.13Å; P972-L981 HydrophobicContact CB-CD2 3.57Å; E976-L981 HydrophobicContact CB-CD2 3.93Å; S977-L981 WeakPolarHBondContact O-CG 3.42Å; S977-L981 PolarHBondContact O-N 3.04Å; K978-L981 PolarHBondContact O-N 3.1Å; L981-R983 VanDerWaalsContact C-N 3.34Å; L981-R983 PolarHBondContact O-N 2.61Å; L981-F984 PolarHBondContact O-N 3.17Å; L981-I985 WeakPolarHBondContact O-CD1 3.45Å; L981-I985 VanDerWaalsContact O-CG1 3.26Å; L981-I985 WeakPolarHBondContact O-CG1 3.26Å; L981-I985 PolarHBondContact O-N 3.47Å |
| 982 | D | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 177 | -78.4 | -32.7 | 0 | 0 | 0 | 111 | Y904 R908 K978 F984 I985 D986 | Y904-D982 WeakPolarHBondContact CE1-OD1 3.45Å; Y904-D982 PolarHBondContact OH-OD1 3.09Å; Y904-D982 PolarHBondContact OH-OD2 2.92Å; R908-D982 IonicContact NH1-OD1 2.9Å; R908-D982 PolarHBondContact NH1-OD1 2.86Å; K978-D982 IonicContact NZ-OD2 3.15Å; K978-D982 PolarHBondContact NZ-OD2 3.19Å; K978-D982 WeakPolarHBondContact O-CB 3.26Å; K978-D982 PolarHBondContact O-N 2.84Å; D982-F984 VanDerWaalsContact C-N 3.33Å; D982-F984 PolarHBondContact O-N 3.17Å; D982-I985 PolarHBondContact O-N 3.45Å; D982-D986 WeakPolarHBondContact O-CB 3.21Å; D982-D986 PolarHBondContact O-N 3.03Å |
| 983 | R | 97.8 | Very high | 98.4 | Very high | 88 Ų | 88 | 30.9 Ų | 30.9 | 33% | 0.332 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 175.1 | -167.9 | 179.5 | 77 | -126.5 | -0.3 | 112.2 | A618 F955 V979 E980 L981 A987 | A618-R983 VanDerWaalsContact CB-NH2 3.34Å; F955-R983 HydrophobicContact CE2-CB 4.41Å; F955-R983 HydrophobicContact CE2-CG 3.93Å; F955-R983 HydrophobicContact CZ-CB 3.96Å; F955-R983 HydrophobicContact CZ-CG 3.86Å; F955-R983 VanDerWaalsContact CZ-NE 3.26Å; V979-R983 PolarHBondContact O-N 3.11Å; E980-R983 PolarHBondContact O-N 2.97Å; E980-R983 IonicContact OE1-CZ 3.52Å; E980-R983 IonicContact OE1-NH1 3.9Å; E980-R983 IonicContact OE1-NH2 3.83Å; E980-R983 PolarHBondContact OE1-NH2 3.08Å; E980-R983 IonicContact OE2-CZ 3.64Å; E980-R983 IonicContact OE2-NH1 3.64Å; E980-R983 PolarHBondContact OE2-NH1 3.42Å; E980-R983 IonicContact OE2-NH2 2.78Å; E980-R983 PolarHBondContact OE2-NH2 3.38Å; E980-R983 VanDerWaalsContact OE2-NH2 3.13Å; L981-R983 VanDerWaalsContact C-N 3.34Å; L981-R983 PolarHBondContact O-N 2.61Å; R983-A987 WeakPolarHBondContact O-CB 3.29Å; R983-A987 PolarHBondContact O-N 2.97Å |
| 984 | F | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -43 | 175.4 | 179.4 | -96.1 | 0 | 0 | 0 | 112.2 | M619 P621 I905 L909 L950 F955 P958 V970 E980 L981 D982 A987 M988 | M619-F984 HydrophobicContact CE-CB 3.38Å; M619-F984 HydrophobicContact CE-CD1 4.17Å; M619-F984 HydrophobicContact CE-CD2 4Å; M619-F984 HydrophobicContact CE-CG 3.58Å; P621-F984 HydrophobicContact CG-CD2 4.11Å; P621-F984 HydrophobicContact CG-CE2 3.67Å; P621-F984 HydrophobicContact CG-CZ 4.01Å; I905-F984 HydrophobicContact CD1-CD1 4.33Å; L909-F984 HydrophobicContact CD1-CE1 4.48Å; L950-F984 HydrophobicContact CD1-CE2 4.17Å; L950-F984 HydrophobicContact CD2-CD2 4.47Å; L950-F984 HydrophobicContact CD2-CE2 4.1Å; F955-F984 HydrophobicContact CD1-CD2 4.05Å; F955-F984 HydrophobicContact CD2-CD2 4.25Å; F955-F984 HydrophobicContact CE1-CB 4.01Å; F955-F984 HydrophobicContact CE1-CD2 4.28Å; F955-F984 HydrophobicContact CE2-CB 4.17Å; F955-F984 HydrophobicContact CE2-CD2 4.46Å; F955-F984 HydrophobicContact CG-CD2 4.03Å; F955-F984 HydrophobicContact CZ-CB 3.75Å; F955-F984 HydrophobicContact CZ-CD2 4.47Å; P958-F984 HydrophobicContact CG-CZ 4.45Å; V970-F984 HydrophobicContact CG1-CE1 3.85Å; V970-F984 HydrophobicContact CG1-CZ 4.2Å; V970-F984 HydrophobicContact CG2-CE1 4.47Å; V970-F984 HydrophobicContact CG2-CZ 4.47Å; E980-F984 PolarHBondContact O-N 3.26Å; E980-F984 VanDerWaalsContact O-N 3.08Å; L981-F984 PolarHBondContact O-N 3.17Å; D982-F984 VanDerWaalsContact C-N 3.33Å; D982-F984 PolarHBondContact O-N 3.17Å; F984-A987 PolarHBondContact O-N 2.95Å; F984-M988 HydrophobicContact CD1-CG 4.26Å; F984-M988 HydrophobicContact CE1-CG 3.8Å; F984-M988 HydrophobicContact CE2-CG 4.38Å; F984-M988 HydrophobicContact CZ-CG 3.86Å; F984-M988 HydrophobicContact CZ-SD 4.2Å; F984-M988 WeakPolarHBondContact O-CG 3.29Å; F984-M988 PolarHBondContact O-N 3.48Å |
| 985 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 176 | -71.4 | 160.6 | 0 | 0 | 0 | 110.3 | Y904 I905 R908 L909 L981 D982 A987 M988 L989 | Y904-I985 HydrophobicContact CD1-CD1 3.83Å; Y904-I985 HydrophobicContact CE1-CD1 3.56Å; I905-I985 HydrophobicContact CG1-CD1 4.14Å; I905-I985 HydrophobicContact CG1-CG1 4.23Å; R908-I985 HydrophobicContact CB-CD1 3.87Å; R908-I985 HydrophobicContact CB-CG1 4.31Å; R908-I985 HydrophobicContact CB-CG2 3.93Å; R908-I985 HydrophobicContact CG-CD1 4.05Å; L909-I985 HydrophobicContact CD2-CB 4.45Å; L909-I985 HydrophobicContact CD2-CG2 3.99Å; L909-I985 HydrophobicContact CG-CG1 4.44Å; L981-I985 WeakPolarHBondContact O-CD1 3.45Å; L981-I985 VanDerWaalsContact O-CG1 3.26Å; L981-I985 WeakPolarHBondContact O-CG1 3.26Å; L981-I985 PolarHBondContact O-N 3.47Å; D982-I985 PolarHBondContact O-N 3.45Å; I985-A987 VanDerWaalsContact C-N 3.32Å; I985-A987 PolarHBondContact O-N 3.06Å; I985-M988 PolarHBondContact O-N 2.84Å; I985-L989 HydrophobicContact CG2-CD1 3.81Å; I985-L989 HydrophobicContact CG2-CG 4.31Å; I985-L989 VanDerWaalsContact O-CG 3.32Å; I985-L989 WeakPolarHBondContact O-CG 3.31Å; I985-L989 PolarHBondContact O-N 3.43Å |
| 986 | D | 98.3 | Very high | 98.3 | Very high | 91 Ų | 91 | 33.4 Ų | 33.4 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.8 | -71.3 | -14.2 | 0 | 0 | 0 | 111.3 | D982 L989 A990 | D982-D986 WeakPolarHBondContact O-CB 3.21Å; D982-D986 PolarHBondContact O-N 3.03Å; D986-L989 PolarHBondContact O-N 2.82Å; D986-A990 VanDerWaalsContact O-CB 3.26Å; D986-A990 WeakPolarHBondContact O-CB 3.4Å; D986-A990 PolarHBondContact O-N 2.78Å |
| 987 | A | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L950 Y953 F955 R983 F984 I985 A990 I991 | L950-A987 HydrophobicContact CD2-CB 4.21Å; Y953-A987 HydrophobicContact CD1-CB 3.49Å; Y953-A987 VanDerWaalsContact CD1-CB 3.49Å; Y953-A987 HydrophobicContact CE1-CB 4.22Å; Y953-A987 HydrophobicContact CG-CB 3.78Å; F955-A987 HydrophobicContact CD2-CB 4.26Å; F955-A987 HydrophobicContact CE2-CB 4.18Å; R983-A987 WeakPolarHBondContact O-CB 3.29Å; R983-A987 PolarHBondContact O-N 2.97Å; F984-A987 PolarHBondContact O-N 2.95Å; I985-A987 VanDerWaalsContact C-N 3.32Å; I985-A987 PolarHBondContact O-N 3.06Å; A987-A990 PolarHBondContact O-N 3.46Å; A987-I991 WeakPolarHBondContact O-CB 3.15Å; A987-I991 VanDerWaalsContact O-CG1 3.3Å; A987-I991 WeakPolarHBondContact O-CG1 3.27Å; A987-I991 PolarHBondContact O-N 3.24Å |
| 988 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.2 | -73.2 | -65.8 | -68 | 0 | 0 | 112 | L909 F913 L930 I946 L950 L968 F984 I985 I991 R992 | L909-M988 HydrophobicContact CD1-CB 4.08Å; L909-M988 HydrophobicContact CD1-CG 4.16Å; L909-M988 HydrophobicContact CD2-CB 3.78Å; F913-M988 HydrophobicContact CD2-CE 4.12Å; F913-M988 HydrophobicContact CE1-CE 4.46Å; F913-M988 HydrophobicContact CE2-CB 4.17Å; F913-M988 HydrophobicContact CE2-CE 3.9Å; F913-M988 VanDerWaalsContact CE2-O 3.32Å; F913-M988 WeakPolarHBondContact CE2-O 3.24Å; F913-M988 HydrophobicContact CG-CE 4.48Å; F913-M988 HydrophobicContact CZ-CE 4.07Å; L930-M988 HydrophobicContact CD1-CE 3.75Å; I946-M988 HydrophobicContact CG2-CE 4.19Å; I946-M988 HydrophobicContact CG2-SD 4.03Å; L950-M988 HydrophobicContact CD1-SD 3.98Å; L950-M988 HydrophobicContact CD2-CG 4.43Å; L950-M988 HydrophobicContact CD2-SD 3.94Å; L950-M988 HydrophobicContact CG-SD 4.28Å; L968-M988 HydrophobicContact CD1-CE 4.3Å; F984-M988 HydrophobicContact CD1-CG 4.26Å; F984-M988 HydrophobicContact CE1-CG 3.8Å; F984-M988 HydrophobicContact CE2-CG 4.38Å; F984-M988 HydrophobicContact CZ-CG 3.86Å; F984-M988 HydrophobicContact CZ-SD 4.2Å; F984-M988 WeakPolarHBondContact O-CG 3.29Å; F984-M988 PolarHBondContact O-N 3.48Å; I985-M988 PolarHBondContact O-N 2.84Å; M988-I991 PolarHBondContact O-N 3.44Å; M988-R992 PolarHBondContact O-N 2.88Å |
| 989 | L | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 32% | 0.319 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.4 | -68.6 | 174.8 | 0 | 0 | 0 | 112.1 | L909 A912 I985 D986 R992 A993 | L909-L989 HydrophobicContact CD2-CD2 4.01Å; L909-L989 HydrophobicContact CD2-CG 3.96Å; A912-L989 HydrophobicContact CB-CD2 3.67Å; I985-L989 HydrophobicContact CG2-CD1 3.81Å; I985-L989 HydrophobicContact CG2-CG 4.31Å; I985-L989 VanDerWaalsContact O-CG 3.32Å; I985-L989 WeakPolarHBondContact O-CG 3.31Å; I985-L989 PolarHBondContact O-N 3.43Å; D986-L989 PolarHBondContact O-N 2.82Å; L989-R992 WeakPolarHBondContact O-CB 3.37Å; L989-R992 PolarHBondContact O-N 2.93Å; L989-A993 PolarHBondContact O-N 2.88Å |
| 990 | A | 98.3 | Very high | 98.2 | Very high | 33 Ų | 33 | 36.6 Ų | 36.6 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y953 D986 A987 R992 A993 E994 | Y953-A990 HydrophobicContact CE1-CB 3.74Å; Y953-A990 VanDerWaalsContact OH-CB 3.29Å; Y953-A990 WeakPolarHBondContact OH-CB 3.42Å; D986-A990 VanDerWaalsContact O-CB 3.26Å; D986-A990 WeakPolarHBondContact O-CB 3.4Å; D986-A990 PolarHBondContact O-N 2.78Å; A987-A990 PolarHBondContact O-N 3.46Å; A990-R992 VanDerWaalsContact C-N 3.29Å; A990-R992 PolarHBondContact O-N 3Å; A990-A993 WeakPolarHBondContact O-CB 3.11Å; A990-A993 PolarHBondContact O-N 2.96Å; A990-A993 VanDerWaalsContact O-N 3.08Å; A990-E994 PolarHBondContact O-N 2.56Å |
| 991 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 172 | -75.1 | 169.3 | 0 | 0 | 0 | 111.1 | I946 R949 L950 Y953 A987 M988 A993 E994 I995 L1010 | I946-I991 HydrophobicContact CB-CG2 4.45Å; I946-I991 HydrophobicContact CG1-CG2 3.97Å; I946-I991 HydrophobicContact CG2-CD1 4.48Å; I946-I991 HydrophobicContact CG2-CG2 4.16Å; R949-I991 HydrophobicContact CB-CD1 4.11Å; R949-I991 HydrophobicContact CB-CG1 4.39Å; R949-I991 HydrophobicContact CG-CD1 3.98Å; R949-I991 HydrophobicContact CG-CG1 3.82Å; L950-I991 HydrophobicContact CD2-CD1 3.79Å; L950-I991 HydrophobicContact CG-CD1 3.81Å; Y953-I991 HydrophobicContact CD2-CD1 4.19Å; Y953-I991 HydrophobicContact CD2-CG1 4.26Å; Y953-I991 HydrophobicContact CE2-CD1 4.2Å; Y953-I991 HydrophobicContact CE2-CG1 3.76Å; A987-I991 WeakPolarHBondContact O-CB 3.15Å; A987-I991 VanDerWaalsContact O-CG1 3.3Å; A987-I991 WeakPolarHBondContact O-CG1 3.27Å; A987-I991 PolarHBondContact O-N 3.24Å; M988-I991 PolarHBondContact O-N 3.44Å; I991-A993 VanDerWaalsContact C-N 3.31Å; I991-A993 PolarHBondContact O-N 2.75Å; I991-E994 WeakPolarHBondContact O-CB 3.32Å; I991-E994 PolarHBondContact O-N 2.73Å; I991-E994 VanDerWaalsContact O-N 3.15Å; I991-I995 HydrophobicContact CG2-CD1 4.17Å; I991-I995 WeakPolarHBondContact O-CG1 3.15Å; I991-I995 PolarHBondContact O-N 3.35Å; I991-L1010 HydrophobicContact CG2-CD2 3.8Å |
| 992 | R | 98.4 | Very high | 98 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.6 | 176.5 | 60.9 | -163.1 | -98.4 | -7.1 | 111.6 | A912 F913 M988 L989 A990 E994 I995 D996 | A912-R992 HydrophobicContact CB-CB 4.3Å; A912-R992 HydrophobicContact CB-CG 4Å; A912-R992 PolarHBondContact O-NH1 3Å; F913-R992 HydrophobicContact CE2-CB 3.88Å; F913-R992 HydrophobicContact CZ-CB 3.71Å; M988-R992 PolarHBondContact O-N 2.88Å; L989-R992 WeakPolarHBondContact O-CB 3.37Å; L989-R992 PolarHBondContact O-N 2.93Å; A990-R992 VanDerWaalsContact C-N 3.29Å; A990-R992 PolarHBondContact O-N 3Å; R992-E994 VanDerWaalsContact C-N 3.3Å; R992-E994 PolarHBondContact O-N 3.13Å; R992-I995 WeakPolarHBondContact O-CB 3.26Å; R992-I995 PolarHBondContact O-N 3.02Å; R992-D996 IonicContact CZ-OD1 3.19Å; R992-D996 IonicContact NE-OD1 3.72Å; R992-D996 PolarHBondContact NE-OD1 2.98Å; R992-D996 IonicContact NE-OD2 3.61Å; R992-D996 IonicContact NH2-OD1 2.7Å; R992-D996 PolarHBondContact NH2-OD1 3.34Å; R992-D996 PolarHBondContact O-N 2.68Å |
| 993 | A | 98.1 | Very high | 97.9 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -35 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L989 A990 I991 D996 Q997 | L989-A993 PolarHBondContact O-N 2.88Å; A990-A993 WeakPolarHBondContact O-CB 3.11Å; A990-A993 PolarHBondContact O-N 2.96Å; A990-A993 VanDerWaalsContact O-N 3.08Å; I991-A993 VanDerWaalsContact C-N 3.31Å; I991-A993 PolarHBondContact O-N 2.75Å; A993-D996 PolarHBondContact O-N 3.38Å; A993-Q997 WeakPolarHBondContact O-CG 3.23Å; A993-Q997 PolarHBondContact O-N 3.49Å; A993-Q997 VanDerWaalsContact O-N 3.15Å |
| 994 | E | 98.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 172.1 | -68.2 | 179.7 | -167.8 | 0 | 0 | 111.9 | R949 Y953 A990 I991 R992 D996 Q997 V998 W1003 L1010 | R949-E994 IonicContact CZ-OE1 3.68Å; R949-E994 IonicContact CZ-OE2 3.98Å; R949-E994 IonicContact NE-OE1 2.76Å; R949-E994 PolarHBondContact NE-OE1 3.46Å; R949-E994 IonicContact NE-OE2 3.34Å; R949-E994 PolarHBondContact NE-OE2 2.93Å; R949-E994 IonicContact NH2-OE1 3.73Å; R949-E994 PolarHBondContact NH2-OE1 3.41Å; R949-E994 IonicContact NH2-OE2 3.89Å; R949-E994 PolarHBondContact NH2-OE2 2.57Å; Y953-E994 PolarHBondContact OH-OE1 2.84Å; A990-E994 PolarHBondContact O-N 2.56Å; I991-E994 WeakPolarHBondContact O-CB 3.32Å; I991-E994 PolarHBondContact O-N 2.73Å; I991-E994 VanDerWaalsContact O-N 3.15Å; R992-E994 VanDerWaalsContact C-N 3.3Å; R992-E994 PolarHBondContact O-N 3.13Å; E994-D996 VanDerWaalsContact C-N 3.29Å; E994-D996 PolarHBondContact O-N 3.27Å; E994-Q997 WeakPolarHBondContact O-CB 3.28Å; E994-Q997 PolarHBondContact O-N 3.14Å; E994-Q997 VanDerWaalsContact O-N 3.15Å; E994-V998 PolarHBondContact O-N 2.89Å; E994-W1003 HydrophobicContact CB-CZ3 3.86Å; E994-W1003 HydrophobicContact CG-CH2 4.27Å; E994-W1003 HydrophobicContact CG-CZ3 3.95Å; E994-L1010 HydrophobicContact CB-CD1 3.99Å; E994-L1010 HydrophobicContact CB-CD2 4.46Å; E994-L1010 HydrophobicContact CB-CG 4.26Å |
| 995 | I | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 174.4 | -66.5 | 167.5 | 0 | 0 | 0 | 110.4 | F913 T939 I941 I946 I991 R992 Q997 V998 K999 L1010 | F913-I995 HydrophobicContact CE1-CD1 4.45Å; T939-I995 HydrophobicContact CG2-CG2 3.87Å; I941-I995 HydrophobicContact CB-CG1 4.32Å; I941-I995 HydrophobicContact CG1-CG1 4.43Å; I941-I995 HydrophobicContact CG2-CD1 4.18Å; I941-I995 HydrophobicContact CG2-CG1 3.96Å; I946-I995 HydrophobicContact CD1-CD1 4.02Å; I946-I995 HydrophobicContact CG1-CD1 4.18Å; I991-I995 HydrophobicContact CG2-CD1 4.17Å; I991-I995 WeakPolarHBondContact O-CG1 3.15Å; I991-I995 PolarHBondContact O-N 3.35Å; R992-I995 WeakPolarHBondContact O-CB 3.26Å; R992-I995 PolarHBondContact O-N 3.02Å; I995-Q997 VanDerWaalsContact C-N 3.27Å; I995-Q997 PolarHBondContact O-N 3.21Å; I995-V998 WeakPolarHBondContact O-CB 3.49Å; I995-V998 PolarHBondContact O-N 2.9Å; I995-V998 VanDerWaalsContact O-N 3.13Å; I995-K999 PolarHBondContact O-N 2.89Å; I995-L1010 HydrophobicContact CB-CD1 4.43Å; I995-L1010 HydrophobicContact CG1-CD1 3.64Å; I995-L1010 HydrophobicContact CG1-CD2 4.43Å |
| 996 | D | 97.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 52 Ų | 52 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 177.6 | -67.3 | -27.1 | 0 | 0 | 0 | 112.1 | R992 A993 E994 K999 A1000 | R992-D996 IonicContact CZ-OD1 3.19Å; R992-D996 IonicContact NE-OD1 3.72Å; R992-D996 PolarHBondContact NE-OD1 2.98Å; R992-D996 IonicContact NE-OD2 3.61Å; R992-D996 IonicContact NH2-OD1 2.7Å; R992-D996 PolarHBondContact NH2-OD1 3.34Å; R992-D996 PolarHBondContact O-N 2.68Å; A993-D996 PolarHBondContact O-N 3.38Å; E994-D996 VanDerWaalsContact C-N 3.29Å; E994-D996 PolarHBondContact O-N 3.27Å; D996-K999 PolarHBondContact O-N 2.97Å; D996-A1000 VanDerWaalsContact O-CB 3.27Å; D996-A1000 WeakPolarHBondContact O-CB 3.35Å; D996-A1000 PolarHBondContact O-N 3.17Å |
| 997 | Q | 97.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 171.6 | -63.7 | -56.4 | -47.8 | 0 | 0 | 112.4 | A993 E994 I995 A1000 G1001 V1002 W1003 | A993-Q997 WeakPolarHBondContact O-CG 3.23Å; A993-Q997 PolarHBondContact O-N 3.49Å; A993-Q997 VanDerWaalsContact O-N 3.15Å; E994-Q997 WeakPolarHBondContact O-CB 3.28Å; E994-Q997 PolarHBondContact O-N 3.14Å; E994-Q997 VanDerWaalsContact O-N 3.15Å; I995-Q997 VanDerWaalsContact C-N 3.27Å; I995-Q997 PolarHBondContact O-N 3.21Å; Q997-A1000 PolarHBondContact O-N 2.86Å; Q997-G1001 PolarHBondContact O-N 2.84Å; Q997-V1002 HydrophobicContact CB-CB 4.37Å; Q997-V1002 PolarHBondContact O-N 2.88Å; Q997-W1003 HydrophobicContact CB-CD2 3.88Å; Q997-W1003 HydrophobicContact CB-CE3 3.42Å; Q997-W1003 VanDerWaalsContact CB-CE3 3.42Å; Q997-W1003 HydrophobicContact CB-CH2 4.26Å; Q997-W1003 HydrophobicContact CB-CZ3 3.64Å; Q997-W1003 HydrophobicContact CG-CE3 4.06Å; Q997-W1003 HydrophobicContact CG-CH2 3.97Å; Q997-W1003 HydrophobicContact CG-CZ2 4.43Å; Q997-W1003 HydrophobicContact CG-CZ3 3.77Å; Q997-W1003 PolarHBondContact O-N 3.41Å |
| 998 | V | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -47 | 174.6 | 178.2 | 0 | 0 | 0 | 0 | 110 | I941 E994 I995 A1000 G1001 W1003 L1005 N1008 L1010 | I941-V998 HydrophobicContact CD1-CG1 4.29Å; I941-V998 HydrophobicContact CD1-CG2 4.39Å; I941-V998 HydrophobicContact CG1-CG1 4.36Å; E994-V998 PolarHBondContact O-N 2.89Å; I995-V998 WeakPolarHBondContact O-CB 3.49Å; I995-V998 PolarHBondContact O-N 2.9Å; I995-V998 VanDerWaalsContact O-N 3.13Å; V998-A1000 VanDerWaalsContact C-N 3.28Å; V998-A1000 PolarHBondContact O-N 3.41Å; V998-G1001 PolarHBondContact O-N 2.82Å; V998-W1003 HydrophobicContact CG2-CB 4.37Å; V998-L1005 HydrophobicContact CG1-CB 4.44Å; V998-L1005 HydrophobicContact CG1-CD1 3.98Å; V998-N1008 HydrophobicContact CG2-CB 3.92Å; V998-L1010 HydrophobicContact CG2-CD1 4.3Å |
| 999 | K | 97.2 | Very high | 97.6 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.7 | -38.9 | 176.1 | -177.4 | 177.1 | 174.8 | 171.2 | 0 | 112.7 | E938 T939 I995 D996 G1001 | E938-K999 HydrophobicContact CG-CD 4.45Å; E938-K999 WeakPolarHBondContact OE1-CE 3.32Å; E938-K999 IonicContact OE1-NZ 2.83Å; E938-K999 PolarHBondContact OE1-NZ 3.33Å; E938-K999 WeakPolarHBondContact OE2-CE 3.45Å; E938-K999 IonicContact OE2-NZ 3.82Å; E938-K999 PolarHBondContact OE2-NZ 3.08Å; T939-K999 HydrophobicContact CG2-CB 3.88Å; T939-K999 HydrophobicContact CG2-CD 4.12Å; T939-K999 HydrophobicContact CG2-CG 4.15Å; I995-K999 PolarHBondContact O-N 2.89Å; D996-K999 PolarHBondContact O-N 2.97Å; K999-G1001 PolarHBondContact O-N 3.16Å |
| 1000 | A | 97 | Very high | 97.6 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D996 Q997 V998 V1002 | D996-A1000 VanDerWaalsContact O-CB 3.27Å; D996-A1000 WeakPolarHBondContact O-CB 3.35Å; D996-A1000 PolarHBondContact O-N 3.17Å; Q997-A1000 PolarHBondContact O-N 2.86Å; V998-A1000 VanDerWaalsContact C-N 3.28Å; V998-A1000 PolarHBondContact O-N 3.41Å; A1000-V1002 VanDerWaalsContact C-N 3.28Å; A1000-V1002 HydrophobicContact CB-CG2 4.16Å; A1000-V1002 PolarHBondContact O-N 3.1Å |
| 1001 | G | 95.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 16.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q997 V998 K999 | Q997-G1001 PolarHBondContact O-N 2.84Å; V998-G1001 PolarHBondContact O-N 2.82Å; K999-G1001 PolarHBondContact O-N 3.16Å |
| 1002 | V | 96.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -71.7 | -42 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | Q997 A1000 | Q997-V1002 HydrophobicContact CB-CB 4.37Å; Q997-V1002 PolarHBondContact O-N 2.88Å; A1000-V1002 VanDerWaalsContact C-N 3.28Å; A1000-V1002 HydrophobicContact CB-CG2 4.16Å; A1000-V1002 PolarHBondContact O-N 3.1Å |
| 1003 | W | 97.2 | Very high | 97.5 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -108.3 | 134.5 | 167.9 | -61.4 | -37.9 | 0 | 0 | 0 | 110.4 | E994 Q997 V998 N1008 P1009 P1027 V1032 | E994-W1003 HydrophobicContact CB-CZ3 3.86Å; E994-W1003 HydrophobicContact CG-CH2 4.27Å; E994-W1003 HydrophobicContact CG-CZ3 3.95Å; Q997-W1003 HydrophobicContact CB-CD2 3.88Å; Q997-W1003 HydrophobicContact CB-CE3 3.42Å; Q997-W1003 VanDerWaalsContact CB-CE3 3.42Å; Q997-W1003 HydrophobicContact CB-CH2 4.26Å; Q997-W1003 HydrophobicContact CB-CZ3 3.64Å; Q997-W1003 HydrophobicContact CG-CE3 4.06Å; Q997-W1003 HydrophobicContact CG-CH2 3.97Å; Q997-W1003 HydrophobicContact CG-CZ2 4.43Å; Q997-W1003 HydrophobicContact CG-CZ3 3.77Å; Q997-W1003 PolarHBondContact O-N 3.41Å; V998-W1003 HydrophobicContact CG2-CB 4.37Å; W1003-N1008 HydrophobicContact CB-CB 3.71Å; W1003-N1008 HydrophobicContact CE3-CB 4.43Å; W1003-N1008 HydrophobicContact CG-CB 4.36Å; W1003-P1009 HydrophobicContact CE3-CG 4.26Å; W1003-P1009 HydrophobicContact CH2-CG 4.12Å; W1003-P1009 HydrophobicContact CZ2-CG 4.48Å; W1003-P1009 HydrophobicContact CZ3-CG 3.99Å; W1003-P1027 PolarHBondContact NE1-O 3.46Å; W1003-V1032 HydrophobicContact CH2-CG1 4.44Å |
| 1004 | P | 97.1 | Very high | 97.4 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | trans | -56.3 | 146.7 | 171 | -22.2 | 32.8 | 0 | 0 | 0 | 112 | E1006 D1007 N1008 P1027 | P1004-E1006 PolarHBondContact O-N 3.16Å; P1004-D1007 HydrophobicContact CB-CB 4.45Å; P1004-D1007 CarbonylContact O-C 3.38Å; P1004-D1007 PolarHBondContact O-N 3.03Å; P1004-N1008 PolarHBondContact O-ND2 2.94Å; P1004-P1027 HydrophobicContact CG-CG 4.46Å | ||
| 1005 | L | 96.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 42.7 Ų | 42.7 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -37.1 | 177.6 | 176.9 | 57.5 | 0 | 0 | 0 | 111.8 | T939 I941 V998 N1008 V1011 | T939-L1005 VanDerWaalsContact O-CD1 3.22Å; T939-L1005 WeakPolarHBondContact O-CD1 3.24Å; I941-L1005 HydrophobicContact CD1-CD1 3.98Å; V998-L1005 HydrophobicContact CG1-CB 4.44Å; V998-L1005 HydrophobicContact CG1-CD1 3.98Å; L1005-N1008 PolarHBondContact O-ND2 2.9Å; L1005-V1011 WeakPolarHBondContact O-CG1 2.98Å |
| 1006 | E | 96.3 | Very high | 97.3 | Very high | 151 Ų | 151 | 43 Ų | 43 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.9 | -177.6 | -56.8 | 78.5 | -171.5 | 0 | 0 | 113.7 | P1004 | P1004-E1006 PolarHBondContact O-N 3.16Š|
| 1007 | D | 97.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -147.7 | 87.3 | -177.8 | -171.3 | 15.9 | 0 | 0 | 0 | 112.3 | P1004 N1012 H1026 P1027 | P1004-D1007 HydrophobicContact CB-CB 4.45Å; P1004-D1007 CarbonylContact O-C 3.38Å; P1004-D1007 PolarHBondContact O-N 3.03Å; D1007-N1012 PolarHBondContact OD1-ND2 3.37Å; D1007-H1026 IonicContact OD1-CE1 2.79Å; D1007-H1026 IonicContact OD1-CG 3.62Å; D1007-H1026 IonicContact OD1-ND1 3.86Å; D1007-H1026 PolarHBondContact OD1-ND1 3.39Å; D1007-H1026 IonicContact OD2-ND1 3.37Å; D1007-P1027 WeakPolarHBondContact O-CG 3.41Å; D1007-P1027 WeakPolarHBondContact OD2-CD 3.23Å |
| 1008 | N | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -150.9 | 167.7 | -179.4 | 62 | 68.3 | 0 | 0 | 0 | 110.2 | V998 W1003 P1004 L1005 L1010 V1011 N1012 | V998-N1008 HydrophobicContact CG2-CB 3.92Å; W1003-N1008 HydrophobicContact CB-CB 3.71Å; W1003-N1008 HydrophobicContact CE3-CB 4.43Å; W1003-N1008 HydrophobicContact CG-CB 4.36Å; P1004-N1008 PolarHBondContact O-ND2 2.94Å; L1005-N1008 PolarHBondContact O-ND2 2.9Å; N1008-L1010 PolarHBondContact O-N 2.73Å; N1008-L1010 WeakPolarHBondContact OD1-CA 3.36Å; N1008-L1010 VanDerWaalsContact OD1-CB 3.29Å; N1008-L1010 WeakPolarHBondContact OD1-CB 3.39Å; N1008-L1010 PolarHBondContact OD1-N 2.66Å; N1008-V1011 PolarHBondContact O-N 2.71Å; N1008-V1011 PolarHBondContact OD1-N 3.32Å; N1008-N1012 WeakPolarHBondContact O-CB 3.47Å; N1008-N1012 PolarHBondContact O-N 3.04Å; N1008-N1012 PolarHBondContact O-ND2 3.15Å |
| 1009 | P | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -32.1 | -177.7 | -22.6 | 31.3 | 0 | 0 | 0 | 114.1 | R949 W1003 A1013 H1015 Y1028 V1032 | R949-P1009 VanDerWaalsContact CZ-CB 3.43Å; W1003-P1009 HydrophobicContact CE3-CG 4.26Å; W1003-P1009 HydrophobicContact CH2-CG 4.12Å; W1003-P1009 HydrophobicContact CZ2-CG 4.48Å; W1003-P1009 HydrophobicContact CZ3-CG 3.99Å; P1009-A1013 VanDerWaalsContact O-CB 3.27Å; P1009-A1013 WeakPolarHBondContact O-CB 3.23Å; P1009-A1013 PolarHBondContact O-N 3.22Å; P1009-A1013 VanDerWaalsContact O-N 3.12Å; P1009-H1015 PolarHBondContact O-CE1 2.91Å; P1009-Y1028 HydrophobicContact CB-CD2 4.36Å; P1009-Y1028 HydrophobicContact CB-CE2 4.27Å; P1009-Y1028 HydrophobicContact CG-CD1 3.87Å; P1009-Y1028 HydrophobicContact CG-CD2 3.72Å; P1009-Y1028 HydrophobicContact CG-CE1 4.24Å; P1009-Y1028 HydrophobicContact CG-CE2 4.06Å; P1009-Y1028 HydrophobicContact CG-CG 3.59Å; P1009-V1032 HydrophobicContact CG-CG1 3.94Å |
| 1010 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.1 | -46.4 | -175.4 | -62 | 151.7 | 0 | 0 | 0 | 112 | I941 D945 R949 I991 E994 I995 V998 N1008 R1049 | I941-L1010 HydrophobicContact CD1-CB 4.32Å; I941-L1010 HydrophobicContact CD1-CD1 4.18Å; I941-L1010 HydrophobicContact CG1-CD1 4.19Å; I941-L1010 HydrophobicContact CG2-CB 4.44Å; I941-L1010 HydrophobicContact CG2-CD1 4.19Å; D945-L1010 HydrophobicContact CB-CB 4.25Å; R949-L1010 HydrophobicContact CB-CD2 3.9Å; R949-L1010 HydrophobicContact CG-CD2 3.77Å; I991-L1010 HydrophobicContact CG2-CD2 3.8Å; E994-L1010 HydrophobicContact CB-CD1 3.99Å; E994-L1010 HydrophobicContact CB-CD2 4.46Å; E994-L1010 HydrophobicContact CB-CG 4.26Å; I995-L1010 HydrophobicContact CB-CD1 4.43Å; I995-L1010 HydrophobicContact CG1-CD1 3.64Å; I995-L1010 HydrophobicContact CG1-CD2 4.43Å; V998-L1010 HydrophobicContact CG2-CD1 4.3Å; N1008-L1010 PolarHBondContact O-N 2.73Å; N1008-L1010 WeakPolarHBondContact OD1-CA 3.36Å; N1008-L1010 VanDerWaalsContact OD1-CB 3.29Å; N1008-L1010 WeakPolarHBondContact OD1-CB 3.39Å; N1008-L1010 PolarHBondContact OD1-N 2.66Å; L1010-R1049 PolarHBondContact O-NH2 3.32Å |
| 1011 | V | 97.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.7 | -26.9 | -178.5 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | I941 L1005 N1008 R1049 | I941-V1011 HydrophobicContact CD1-CG1 4.01Å; L1005-V1011 WeakPolarHBondContact O-CG1 2.98Å; N1008-V1011 PolarHBondContact O-N 2.71Å; N1008-V1011 PolarHBondContact OD1-N 3.32Å; V1011-R1049 VanDerWaalsContact O-CZ 3.26Å; V1011-R1049 PolarHBondContact O-NH1 2.93Å; V1011-R1049 PolarHBondContact O-NH2 3.43Å |
| 1012 | N | 97.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -88.4 | -11.3 | 178.8 | -70.5 | -36.3 | 0 | 0 | 0 | 113.8 | D1007 N1008 H1026 Y1028 | D1007-N1012 PolarHBondContact OD1-ND2 3.37Å; N1008-N1012 WeakPolarHBondContact O-CB 3.47Å; N1008-N1012 PolarHBondContact O-N 3.04Å; N1008-N1012 PolarHBondContact O-ND2 3.15Å; N1012-H1026 PolarHBondContact ND2-CE1 3.26Å; N1012-H1026 PolarHBondContact ND2-ND1 3.48Å; N1012-Y1028 WeakPolarHBondContact CB-OH 3.35Å; N1012-Y1028 PolarHBondContact ND2-OH 3.29Å |
| 1013 | A | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K948 R949 D952 P1009 R1049 | K948-A1013 HydrophobicContact CB-CB 4.16Å; K948-A1013 WeakPolarHBondContact CB-O 3.28Å; R949-A1013 HydrophobicContact CB-CB 4.1Å; D952-A1013 WeakPolarHBondContact OD2-CB 3.3Å; P1009-A1013 VanDerWaalsContact O-CB 3.27Å; P1009-A1013 WeakPolarHBondContact O-CB 3.23Å; P1009-A1013 PolarHBondContact O-N 3.22Å; P1009-A1013 VanDerWaalsContact O-N 3.12Å; A1013-R1049 PolarHBondContact O-NE 2.95Å; A1013-R1049 PolarHBondContact O-NH2 3.13Å |
| 1014 | P | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | cis | -82.4 | 156.9 | -1.2 | 35 | -36.6 | 0 | 0 | 0 | 113.1 | E231 I951 P1045 | E231-P1014 HydrophobicContact CB-CG 3.85Å; E231-P1014 HydrophobicContact CG-CG 3.78Å; I951-P1014 HydrophobicContact CB-CB 4.04Å; I951-P1014 HydrophobicContact CD1-CB 4.1Å; I951-P1014 HydrophobicContact CD1-CG 4.13Å; I951-P1014 HydrophobicContact CG2-CB 3.92Å; P1014-P1045 HydrophobicContact CB-CB 3.92Å; P1014-P1045 HydrophobicContact CB-CG 3.87Å; P1014-P1045 HydrophobicContact CG-CB 4.15Å |
| 1015 | H | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -100 | 118 | -177.8 | -61.6 | 87.6 | 0 | 0 | 0 | 111.8 | D952 P1009 E1019 W1024 Y1028 A1033 V1034 P1045 | D952-H1015 PolarHBondContact OD1-N 3.24Å; D952-H1015 IonicContact OD1-ND1 3.99Å; D952-H1015 IonicContact OD2-CE1 3.34Å; D952-H1015 IonicContact OD2-CG 3.68Å; D952-H1015 IonicContact OD2-ND1 3.54Å; D952-H1015 PolarHBondContact OD2-ND1 3.46Å; P1009-H1015 PolarHBondContact O-CE1 2.91Å; H1015-E1019 WeakPolarHBondContact CA-OE2 3.38Å; H1015-W1024 AromaticContact CD2-CH2 3.94Å; H1015-Y1028 AromaticContact NE2-CE2 3.52Å; H1015-Y1028 AromaticContact NE2-CZ 3.68Å; H1015-Y1028 PolarHBondContact NE2-OH 3.14Å; H1015-A1033 HydrophobicContact CB-CB 4.42Å; H1015-V1034 HydrophobicContact CB-CG1 3.92Å; H1015-P1045 WeakPolarHBondContact O-CG 3.34Å |
| 1016 | I | 96.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 158.3 | -174.5 | 64.3 | 175 | 0 | 0 | 0 | 112.9 | S1018 E1019 P1045 V1047 K1048 | I1016-S1018 VanDerWaalsContact C-N 3.26Å; I1016-S1018 WeakPolarHBondContact CD1-OG 3.24Å; I1016-S1018 WeakPolarHBondContact CG1-OG 3.37Å; I1016-S1018 PolarHBondContact O-N 3.26Å; I1016-S1018 VanDerWaalsContact O-N 3.17Å; I1016-E1019 HydrophobicContact CG1-CG 3.74Å; I1016-E1019 PolarHBondContact N-OE2 3.31Å; I1016-E1019 WeakPolarHBondContact O-CB 3.02Å; I1016-E1019 PolarHBondContact O-N 3.23Å; I1016-E1019 VanDerWaalsContact O-N 3.07Å; I1016-P1045 HydrophobicContact CG2-CB 4.38Å; I1016-P1045 HydrophobicContact CG2-CG 4.28Å; I1016-P1045 WeakPolarHBondContact CG2-O 3.1Å; I1016-V1047 VanDerWaalsContact CG2-O 3.31Å; I1016-V1047 WeakPolarHBondContact CG2-O 3.48Å; I1016-K1048 HydrophobicContact CD1-CG 3.86Å; I1016-K1048 HydrophobicContact CG1-CG 4.01Å; I1016-K1048 HydrophobicContact CG2-CG 4.13Å |
| 1017 | Q | 94.8 | Very high | 95.6 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -56.9 | -35.5 | -175 | -170.1 | -179 | 15 | 0 | 0 | 113.7 | E1019 L1020 W1044 | Q1017-E1019 PolarHBondContact O-N 3.03Å; Q1017-L1020 WeakPolarHBondContact O-CB 3.24Å; Q1017-L1020 PolarHBondContact O-N 3.11Å; Q1017-W1044 HydrophobicContact CB-CD2 4.02Å; Q1017-W1044 HydrophobicContact CB-CE3 3.73Å; Q1017-W1044 HydrophobicContact CB-CZ3 4.19Å; Q1017-W1044 HydrophobicContact CG-CD2 4.27Å; Q1017-W1044 HydrophobicContact CG-CE3 4.28Å |
| 1018 | S | 92.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 49% | 0.49 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -66.3 | -21.4 | -178.8 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | I1016 L1020 V1021 | I1016-S1018 VanDerWaalsContact C-N 3.26Å; I1016-S1018 WeakPolarHBondContact CD1-OG 3.24Å; I1016-S1018 WeakPolarHBondContact CG1-OG 3.37Å; I1016-S1018 PolarHBondContact O-N 3.26Å; I1016-S1018 VanDerWaalsContact O-N 3.17Å; S1018-L1020 PolarHBondContact O-N 3.27Å; S1018-V1021 VanDerWaalsContact O-CG2 3.27Å; S1018-V1021 WeakPolarHBondContact O-CG2 3.45Å; S1018-V1021 PolarHBondContact O-N 3.42Å |
| 1019 | E | 93.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69.9 | -20.2 | 179 | -59 | -176.3 | 74.4 | 0 | 0 | 112.7 | H1015 I1016 Q1017 V1021 A1022 W1024 K1048 | H1015-E1019 WeakPolarHBondContact CA-OE2 3.38Å; I1016-E1019 HydrophobicContact CG1-CG 3.74Å; I1016-E1019 PolarHBondContact N-OE2 3.31Å; I1016-E1019 WeakPolarHBondContact O-CB 3.02Å; I1016-E1019 PolarHBondContact O-N 3.23Å; I1016-E1019 VanDerWaalsContact O-N 3.07Å; Q1017-E1019 PolarHBondContact O-N 3.03Å; E1019-V1021 PolarHBondContact O-N 3.4Å; E1019-A1022 PolarHBondContact O-N 3.19Å; E1019-W1024 HydrophobicContact CB-CZ3 3.98Å; E1019-K1048 VanDerWaalsContact CD-NZ 3.26Å; E1019-K1048 IonicContact OE1-NZ 3.09Å; E1019-K1048 PolarHBondContact OE1-NZ 2.79Å; E1019-K1048 VanDerWaalsContact OE2-CE 3.31Å; E1019-K1048 WeakPolarHBondContact OE2-CE 3.5Å; E1019-K1048 IonicContact OE2-NZ 3.6Å; E1019-K1048 PolarHBondContact OE2-NZ 3.14Å |
| 1020 | L | 92.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.3 | -31.1 | 176.8 | -71.7 | 179.6 | 0 | 0 | 0 | 113.2 | Q1017 S1018 R1030 V1034 W1044 | Q1017-L1020 WeakPolarHBondContact O-CB 3.24Å; Q1017-L1020 PolarHBondContact O-N 3.11Å; S1018-L1020 PolarHBondContact O-N 3.27Å; L1020-R1030 HydrophobicContact CD2-CB 4.43Å; L1020-R1030 PolarHBondContact O-NE 2.8Å; L1020-V1034 HydrophobicContact CD2-CG1 4.22Å; L1020-V1034 HydrophobicContact CD2-CG2 3.82Å; L1020-W1044 HydrophobicContact CD1-CH2 3.66Å; L1020-W1044 HydrophobicContact CD1-CZ2 4.25Å; L1020-W1044 HydrophobicContact CD1-CZ3 4.38Å; L1020-W1044 HydrophobicContact CG-CH2 4.33Å |
| 1021 | V | 93.2 | Very high | 95.3 | Very high | 136 Ų | 136 | 58 Ų | 58 | 82% | 0.824 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -5.3 | -179 | -61.9 | 0 | 0 | 0 | 0 | 113 | S1018 E1019 | S1018-V1021 VanDerWaalsContact O-CG2 3.27Å; S1018-V1021 WeakPolarHBondContact O-CG2 3.45Å; S1018-V1021 PolarHBondContact O-N 3.42Å; E1019-V1021 PolarHBondContact O-N 3.4Å |
| 1022 | A | 91.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -77.3 | 164.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1019 W1024 R1030 | E1019-A1022 PolarHBondContact O-N 3.19Å; A1022-W1024 PolarHBondContact O-N 3.27Å; A1022-R1030 PolarHBondContact O-NH2 3.4Å |
| 1023 | E | 93.6 | Very high | 95.2 | Very high | 182 Ų | 182 | 57 Ų | 57 | 85% | 0.85 | 32% | 0.315 | S | S | * | . | trans | -60.6 | 133.2 | 165.9 | -174 | 174.4 | -178.1 | 0 | 0 | 109.5 | ||||
| 1024 | W | 95.2 | Very high | 95.1 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 17% | 0.167 | 32% | 0.315 | C | S | . | . | trans | -109.9 | 89.4 | -173.6 | -167.3 | -93.5 | 0 | 0 | 0 | 110.2 | H1015 E1019 A1022 H1026 Y1028 R1030 A1033 | H1015-W1024 AromaticContact CD2-CH2 3.94Å; E1019-W1024 HydrophobicContact CB-CZ3 3.98Å; A1022-W1024 PolarHBondContact O-N 3.27Å; W1024-H1026 AromaticContact CD2-CD2 3.97Å; W1024-H1026 AromaticContact CE2-CD2 3.81Å; W1024-H1026 HydrophobicContact CZ2-CB 4.44Å; W1024-H1026 AromaticContact CZ2-CD2 3.88Å; W1024-Y1028 HydrophobicContact CH2-CE2 4.27Å; W1024-Y1028 HydrophobicContact CZ2-CD2 4.01Å; W1024-Y1028 AromaticContact CZ2-CE2 3.63Å; W1024-Y1028 HydrophobicContact CZ2-CE2 3.63Å; W1024-Y1028 PolarHBondContact NE1-O 2.92Å; W1024-R1030 HydrophobicContact CB-CG 4.48Å; W1024-R1030 HydrophobicContact CD2-CG 3.42Å; W1024-R1030 VanDerWaalsContact CD2-CG 3.42Å; W1024-R1030 HydrophobicContact CE3-CG 3.67Å; W1024-R1030 HydrophobicContact CG-CG 3.8Å; W1024-R1030 HydrophobicContact CH2-CG 4.34Å; W1024-R1030 HydrophobicContact CZ2-CG 4.13Å; W1024-R1030 HydrophobicContact CZ3-CG 4.11Å; W1024-A1033 HydrophobicContact CH2-CB 3.46Å; W1024-A1033 VanDerWaalsContact CH2-CB 3.46Å; W1024-A1033 HydrophobicContact CZ2-CB 3.57Å | ||
| 1025 | A | 92.4 | Very high | 95 | Very high | 82 Ų | 82 | 60 Ų | 60 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | trans | -100.9 | 40.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1026 | H | 96.1 | Very high | 95 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -109.8 | 152.7 | -179.7 | -66.9 | -64.4 | 0 | 0 | 0 | 112.1 | D1007 N1012 W1024 Y1028 | D1007-H1026 IonicContact OD1-CE1 2.79Å; D1007-H1026 IonicContact OD1-CG 3.62Å; D1007-H1026 IonicContact OD1-ND1 3.86Å; D1007-H1026 PolarHBondContact OD1-ND1 3.39Å; D1007-H1026 IonicContact OD2-ND1 3.37Å; N1012-H1026 PolarHBondContact ND2-CE1 3.26Å; N1012-H1026 PolarHBondContact ND2-ND1 3.48Å; W1024-H1026 AromaticContact CD2-CD2 3.97Å; W1024-H1026 AromaticContact CE2-CD2 3.81Å; W1024-H1026 HydrophobicContact CZ2-CB 4.44Å; W1024-H1026 AromaticContact CZ2-CD2 3.88Å; H1026-Y1028 HydrophobicContact CB-CD1 3.86Å; H1026-Y1028 HydrophobicContact CB-CD2 4.49Å; H1026-Y1028 HydrophobicContact CB-CE1 3.57Å; H1026-Y1028 HydrophobicContact CB-CE2 4.27Å; H1026-Y1028 HydrophobicContact CB-CG 4.31Å; H1026-Y1028 AromaticContact CG-CE1 3.83Å; H1026-Y1028 AromaticContact CG-CZ 3.74Å; H1026-Y1028 AromaticContact ND1-CE1 3.93Å; H1026-Y1028 AromaticContact ND1-CZ 3.99Å; H1026-Y1028 PolarHBondContact O-N 3.45Å |
| 1027 | P | 96.1 | Very high | 94.8 | Very high | 63 Ų | 63 | 64.8 Ų | 64.8 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.5 | 10.2 | 177.8 | 32.3 | -35.2 | 0 | 0 | 0 | 114 | W1003 P1004 D1007 | W1003-P1027 PolarHBondContact NE1-O 3.46Å; P1004-P1027 HydrophobicContact CG-CG 4.46Å; D1007-P1027 WeakPolarHBondContact O-CG 3.41Å; D1007-P1027 WeakPolarHBondContact OD2-CD 3.23Å |
| 1028 | Y | 97.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -131.2 | 158.6 | 176.2 | 56.3 | -88 | 0 | 0 | 0 | 109.4 | P1009 N1012 H1015 W1024 H1026 A1033 | P1009-Y1028 HydrophobicContact CB-CD2 4.36Å; P1009-Y1028 HydrophobicContact CB-CE2 4.27Å; P1009-Y1028 HydrophobicContact CG-CD1 3.87Å; P1009-Y1028 HydrophobicContact CG-CD2 3.72Å; P1009-Y1028 HydrophobicContact CG-CE1 4.24Å; P1009-Y1028 HydrophobicContact CG-CE2 4.06Å; P1009-Y1028 HydrophobicContact CG-CG 3.59Å; N1012-Y1028 WeakPolarHBondContact CB-OH 3.35Å; N1012-Y1028 PolarHBondContact ND2-OH 3.29Å; H1015-Y1028 AromaticContact NE2-CE2 3.52Å; H1015-Y1028 AromaticContact NE2-CZ 3.68Å; H1015-Y1028 PolarHBondContact NE2-OH 3.14Å; W1024-Y1028 HydrophobicContact CH2-CE2 4.27Å; W1024-Y1028 HydrophobicContact CZ2-CD2 4.01Å; W1024-Y1028 AromaticContact CZ2-CE2 3.63Å; W1024-Y1028 HydrophobicContact CZ2-CE2 3.63Å; W1024-Y1028 PolarHBondContact NE1-O 2.92Å; H1026-Y1028 HydrophobicContact CB-CD1 3.86Å; H1026-Y1028 HydrophobicContact CB-CD2 4.49Å; H1026-Y1028 HydrophobicContact CB-CE1 3.57Å; H1026-Y1028 HydrophobicContact CB-CE2 4.27Å; H1026-Y1028 HydrophobicContact CB-CG 4.31Å; H1026-Y1028 AromaticContact CG-CE1 3.83Å; H1026-Y1028 AromaticContact CG-CZ 3.74Å; H1026-Y1028 AromaticContact ND1-CE1 3.93Å; H1026-Y1028 AromaticContact ND1-CZ 3.99Å; H1026-Y1028 PolarHBondContact O-N 3.45Å; Y1028-A1033 HydrophobicContact CD2-CB 4.2Å; Y1028-A1033 HydrophobicContact CE2-CB 3.85Å |
| 1029 | S | 96.6 | Very high | 94.6 | Very high | 46 Ų | 46 | 63 Ų | 63 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | trans | -82.4 | 163.1 | -174.5 | 87.7 | 0 | 0 | 0 | 0 | 112.8 | E1031 V1032 A1033 | S1029-E1031 WeakPolarHBondContact CB-OE2 3.31Å; S1029-E1031 PolarHBondContact O-N 3.5Å; S1029-E1031 PolarHBondContact OG-N 3.47Å; S1029-E1031 PolarHBondContact OG-OE2 2.92Å; S1029-V1032 PolarHBondContact O-N 3.38Å; S1029-V1032 PolarHBondContact OG-N 2.73Å; S1029-A1033 PolarHBondContact O-N 3.35Å; S1029-A1033 VanDerWaalsContact O-N 3.09Å | ||
| 1030 | R | 96.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | 173.1 | -71.8 | -175.7 | -179.8 | 107.8 | -7.4 | 111.3 | L1020 A1022 W1024 A1033 V1034 | L1020-R1030 HydrophobicContact CD2-CB 4.43Å; L1020-R1030 PolarHBondContact O-NE 2.8Å; A1022-R1030 PolarHBondContact O-NH2 3.4Å; W1024-R1030 HydrophobicContact CB-CG 4.48Å; W1024-R1030 HydrophobicContact CD2-CG 3.42Å; W1024-R1030 VanDerWaalsContact CD2-CG 3.42Å; W1024-R1030 HydrophobicContact CE3-CG 3.67Å; W1024-R1030 HydrophobicContact CG-CG 3.8Å; W1024-R1030 HydrophobicContact CH2-CG 4.34Å; W1024-R1030 HydrophobicContact CZ2-CG 4.13Å; W1024-R1030 HydrophobicContact CZ3-CG 4.11Å; R1030-A1033 WeakPolarHBondContact O-CB 3.39Å; R1030-A1033 PolarHBondContact O-N 2.88Å; R1030-A1033 VanDerWaalsContact O-N 3.13Å; R1030-V1034 WeakPolarHBondContact O-CG2 3.13Å; R1030-V1034 PolarHBondContact O-N 2.74Å |
| 1031 | E | 95.5 | Very high | 94 | Very high | 123 Ų | 123 | 71 Ų | 71 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 178.6 | -59.8 | 75.6 | -166.8 | 0 | 0 | 111.2 | S1029 A1033 F1035 | S1029-E1031 WeakPolarHBondContact CB-OE2 3.31Å; S1029-E1031 PolarHBondContact O-N 3.5Å; S1029-E1031 PolarHBondContact OG-N 3.47Å; S1029-E1031 PolarHBondContact OG-OE2 2.92Å; E1031-A1033 VanDerWaalsContact C-N 3.27Å; E1031-A1033 PolarHBondContact O-N 2.82Å; E1031-F1035 CarbonylContact O-C 3.54Å; E1031-F1035 WeakPolarHBondContact O-CA 3.49Å; E1031-F1035 PolarHBondContact O-N 2.76Å |
| 1032 | V | 96.3 | Very high | 94 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | R949 W1003 P1009 S1029 | R949-V1032 PolarHBondContact NH2-O 3.28Å; W1003-V1032 HydrophobicContact CH2-CG1 4.44Å; P1009-V1032 HydrophobicContact CG-CG1 3.94Å; S1029-V1032 PolarHBondContact O-N 3.38Å; S1029-V1032 PolarHBondContact OG-N 2.73Å |
| 1033 | A | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.1 | -55.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R949 H1015 W1024 Y1028 S1029 R1030 E1031 | R949-A1033 PolarHBondContact NH1-O 3.42Å; H1015-A1033 HydrophobicContact CB-CB 4.42Å; W1024-A1033 HydrophobicContact CH2-CB 3.46Å; W1024-A1033 VanDerWaalsContact CH2-CB 3.46Å; W1024-A1033 HydrophobicContact CZ2-CB 3.57Å; Y1028-A1033 HydrophobicContact CD2-CB 4.2Å; Y1028-A1033 HydrophobicContact CE2-CB 3.85Å; S1029-A1033 PolarHBondContact O-N 3.35Å; S1029-A1033 VanDerWaalsContact O-N 3.09Å; R1030-A1033 WeakPolarHBondContact O-CB 3.39Å; R1030-A1033 PolarHBondContact O-N 2.88Å; R1030-A1033 VanDerWaalsContact O-N 3.13Å; E1031-A1033 VanDerWaalsContact C-N 3.27Å; E1031-A1033 PolarHBondContact O-N 2.82Å |
| 1034 | V | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -103.4 | -21.4 | -165.9 | -63 | 0 | 0 | 0 | 0 | 114.9 | H1015 L1020 R1030 K1042 W1044 | H1015-V1034 HydrophobicContact CB-CG1 3.92Å; L1020-V1034 HydrophobicContact CD2-CG1 4.22Å; L1020-V1034 HydrophobicContact CD2-CG2 3.82Å; R1030-V1034 WeakPolarHBondContact O-CG2 3.13Å; R1030-V1034 PolarHBondContact O-N 2.74Å; V1034-K1042 WeakPolarHBondContact O-CD 3.31Å; V1034-K1042 WeakPolarHBondContact O-CE 3.49Å; V1034-K1042 PolarHBondContact O-NZ 3.49Å; V1034-W1044 HydrophobicContact CB-CH2 3.93Å; V1034-W1044 HydrophobicContact CB-CZ3 4.07Å; V1034-W1044 HydrophobicContact CG1-CH2 4.12Å; V1034-W1044 HydrophobicContact CG1-CZ3 3.88Å; V1034-W1044 HydrophobicContact CG2-CH2 4.3Å |
| 1035 | F | 96.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | trans | -126.4 | 46 | -178.4 | -57.3 | -61.1 | 0 | 0 | 0 | 112.6 | E1031 A1037 G1038 V1039 K1042 W1044 | E1031-F1035 CarbonylContact O-C 3.54Å; E1031-F1035 WeakPolarHBondContact O-CA 3.49Å; E1031-F1035 PolarHBondContact O-N 2.76Å; F1035-A1037 PolarHBondContact O-N 3.46Å; F1035-G1038 WeakPolarHBondContact CD1-O 3.46Å; F1035-G1038 PolarHBondContact O-N 3.05Å; F1035-V1039 HydrophobicContact CB-CG1 4.45Å; F1035-V1039 HydrophobicContact CD1-CB 4.36Å; F1035-V1039 HydrophobicContact CD1-CG1 3.92Å; F1035-V1039 HydrophobicContact CD2-CG1 4.25Å; F1035-V1039 HydrophobicContact CE1-CB 4.5Å; F1035-V1039 HydrophobicContact CE1-CG1 4.19Å; F1035-V1039 HydrophobicContact CG-CG1 3.96Å; F1035-V1039 HydrophobicContact CZ-CG1 4.48Å; F1035-K1042 HydrophobicContact CD1-CD 4.38Å; F1035-K1042 HydrophobicContact CD1-CG 4.37Å; F1035-K1042 HydrophobicContact CE1-CB 4.27Å; F1035-K1042 HydrophobicContact CE1-CD 4.43Å; F1035-K1042 HydrophobicContact CE1-CG 3.98Å; F1035-W1044 HydrophobicContact CE1-CH2 4.46Å; F1035-W1044 HydrophobicContact CE1-CZ2 4.15Å; F1035-W1044 HydrophobicContact CZ-CH2 4.2Å; F1035-W1044 HydrophobicContact CZ-CZ2 4.03Å | ||
| 1036 | P | 96.4 | Very high | 94.3 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.3 | -176.9 | 30.4 | -37.1 | 0 | 0 | 0 | 112.8 | D952 Y953 | D952-P1036 HydrophobicContact CB-CG 4.23Å; Y953-P1036 HydrophobicContact CD1-CB 4.15Å; Y953-P1036 HydrophobicContact CD1-CG 4Å; Y953-P1036 HydrophobicContact CD2-CB 4.2Å; Y953-P1036 HydrophobicContact CD2-CG 3.66Å; Y953-P1036 HydrophobicContact CE1-CB 3.65Å; Y953-P1036 HydrophobicContact CE1-CG 4Å; Y953-P1036 HydrophobicContact CE2-CB 3.7Å; Y953-P1036 HydrophobicContact CE2-CG 3.64Å; Y953-P1036 HydrophobicContact CG-CB 4.41Å; Y953-P1036 HydrophobicContact CG-CG 3.84Å; Y953-P1036 VanDerWaalsContact CZ-CB 3.4Å |
| 1037 | A | 92.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 10 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y953 F1035 | Y953-A1037 HydrophobicContact CD1-CB 4.14Å; F1035-A1037 PolarHBondContact O-N 3.46Å |
| 1038 | G | 92.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 38% | 0.381 | 30% | 0.298 | S | S | . | . | trans | 95.5 | -174.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1035 | F1035-G1038 WeakPolarHBondContact CD1-O 3.46Å; F1035-G1038 PolarHBondContact O-N 3.05Å | ||
| 1039 | V | 91.2 | Very high | 94.3 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -96.5 | -14.5 | -171.2 | -61.3 | 0 | 0 | 0 | 0 | 114.4 | F1035 | F1035-V1039 HydrophobicContact CB-CG1 4.45Å; F1035-V1039 HydrophobicContact CD1-CB 4.36Å; F1035-V1039 HydrophobicContact CD1-CG1 3.92Å; F1035-V1039 HydrophobicContact CD2-CG1 4.25Å; F1035-V1039 HydrophobicContact CE1-CB 4.5Å; F1035-V1039 HydrophobicContact CE1-CG1 4.19Å; F1035-V1039 HydrophobicContact CG-CG1 3.96Å; F1035-V1039 HydrophobicContact CZ-CG1 4.48Å |
| 1040 | A | 88.3 | Confident | 94.2 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 66% | 0.661 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 138.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1042 | A1040-K1042 PolarHBondContact O-N 2.84Š|
| 1041 | D | 84.3 | Confident | 94.1 | Very high | 167 Ų | 167 | 51.1 Ų | 51.1 | 89% | 0.893 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.5 | 173.4 | -53.7 | -39.2 | 0 | 0 | 0 | 115.5 | Y1043 | D1041-Y1043 PolarHBondContact O-N 3.11Å; D1041-Y1043 VanDerWaalsContact O-N 3.16Å |
| 1042 | K | 94.1 | Very high | 93.8 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | trans | -61.2 | 116.4 | -179.8 | 176 | 61.4 | 179.9 | 174.3 | 0 | 112.1 | D952 V1034 F1035 A1040 W1044 | D952-K1042 PolarHBondContact O-NZ 3.16Å; V1034-K1042 WeakPolarHBondContact O-CD 3.31Å; V1034-K1042 WeakPolarHBondContact O-CE 3.49Å; V1034-K1042 PolarHBondContact O-NZ 3.49Å; F1035-K1042 HydrophobicContact CD1-CD 4.38Å; F1035-K1042 HydrophobicContact CD1-CG 4.37Å; F1035-K1042 HydrophobicContact CE1-CB 4.27Å; F1035-K1042 HydrophobicContact CE1-CD 4.43Å; F1035-K1042 HydrophobicContact CE1-CG 3.98Å; A1040-K1042 PolarHBondContact O-N 2.84Å; K1042-W1044 HydrophobicContact CG-CD2 4.27Å; K1042-W1044 HydrophobicContact CG-CZ2 3.97Å | ||
| 1043 | Y | 94.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 50 Ų | 50 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | trans | -78 | 135.8 | 161.8 | -178.6 | -92 | 0 | 0 | 0 | 111.4 | V232 K611 D612 L613 I951 D1041 | V232-Y1043 WeakPolarHBondContact CA-OH 3.41Å; V232-Y1043 HydrophobicContact CB-CE1 4.02Å; V232-Y1043 HydrophobicContact CG1-CD1 4.37Å; V232-Y1043 HydrophobicContact CG1-CE1 3.59Å; K611-Y1043 PolarHBondContact O-OH 3.43Å; D612-Y1043 PolarHBondContact N-OH 3.49Å; L613-Y1043 HydrophobicContact CB-CD2 4.31Å; L613-Y1043 HydrophobicContact CB-CE1 4.47Å; L613-Y1043 HydrophobicContact CB-CE2 3.91Å; L613-Y1043 HydrophobicContact CD1-CD1 4.19Å; L613-Y1043 HydrophobicContact CD1-CD2 4.33Å; L613-Y1043 HydrophobicContact CD1-CG 4.05Å; L613-Y1043 HydrophobicContact CG-CD2 4.4Å; L613-Y1043 HydrophobicContact CG-CE2 4.48Å; L613-Y1043 PolarHBondContact N-OH 3.05Å; I951-Y1043 HydrophobicContact CG2-CD1 4.5Å; D1041-Y1043 PolarHBondContact O-N 3.11Å; D1041-Y1043 VanDerWaalsContact O-N 3.16Å | ||
| 1044 | W | 95.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | trans | -106.3 | 113.9 | 177.1 | -73.5 | 99.2 | 0 | 0 | 0 | 111.1 | Q1017 L1020 V1034 F1035 K1042 | Q1017-W1044 HydrophobicContact CB-CD2 4.02Å; Q1017-W1044 HydrophobicContact CB-CE3 3.73Å; Q1017-W1044 HydrophobicContact CB-CZ3 4.19Å; Q1017-W1044 HydrophobicContact CG-CD2 4.27Å; Q1017-W1044 HydrophobicContact CG-CE3 4.28Å; L1020-W1044 HydrophobicContact CD1-CH2 3.66Å; L1020-W1044 HydrophobicContact CD1-CZ2 4.25Å; L1020-W1044 HydrophobicContact CD1-CZ3 4.38Å; L1020-W1044 HydrophobicContact CG-CH2 4.33Å; V1034-W1044 HydrophobicContact CB-CH2 3.93Å; V1034-W1044 HydrophobicContact CB-CZ3 4.07Å; V1034-W1044 HydrophobicContact CG1-CH2 4.12Å; V1034-W1044 HydrophobicContact CG1-CZ3 3.88Å; V1034-W1044 HydrophobicContact CG2-CH2 4.3Å; F1035-W1044 HydrophobicContact CE1-CH2 4.46Å; F1035-W1044 HydrophobicContact CE1-CZ2 4.15Å; F1035-W1044 HydrophobicContact CZ-CH2 4.2Å; F1035-W1044 HydrophobicContact CZ-CZ2 4.03Å; K1042-W1044 HydrophobicContact CG-CD2 4.27Å; K1042-W1044 HydrophobicContact CG-CZ2 3.97Å | ||
| 1045 | P | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | trans | -60.3 | 140.3 | 166.8 | 27.2 | -33.8 | 0 | 0 | 0 | 109.5 | I951 P1014 H1015 I1016 | I951-P1045 HydrophobicContact CG2-CB 3.85Å; I951-P1045 HydrophobicContact CG2-CG 4.11Å; P1014-P1045 HydrophobicContact CB-CB 3.92Å; P1014-P1045 HydrophobicContact CB-CG 3.87Å; P1014-P1045 HydrophobicContact CG-CB 4.15Å; H1015-P1045 WeakPolarHBondContact O-CG 3.34Å; I1016-P1045 HydrophobicContact CG2-CB 4.38Å; I1016-P1045 HydrophobicContact CG2-CG 4.28Å; I1016-P1045 WeakPolarHBondContact CG2-O 3.1Å | ||
| 1046 | T | 93.3 | Very high | 93 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -93.4 | -16.9 | -173.6 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | Q234 K611 | Q234-T1046 VanDerWaalsContact CG-OG1 3.3Å; Q234-T1046 WeakPolarHBondContact CG-OG1 3.46Å; K611-T1046 HydrophobicContact CB-CG2 3.77Å; K611-T1046 HydrophobicContact CD-CG2 4.44Å; K611-T1046 HydrophobicContact CG-CG2 3.68Å |
| 1047 | V | 96.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -139.3 | 152.6 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 108.9 | E231 Q234 D420 A426 I1016 L1050 | E231-V1047 HydrophobicContact CB-CG2 4.31Å; E231-V1047 HydrophobicContact CG-CG2 4.24Å; Q234-V1047 HydrophobicContact CG-CG1 4.17Å; Q234-V1047 HydrophobicContact CG-CG2 3.82Å; D420-V1047 HydrophobicContact CB-CB 4.19Å; A426-V1047 HydrophobicContact CB-CB 4.19Å; A426-V1047 HydrophobicContact CB-CG1 4.02Å; A426-V1047 HydrophobicContact CB-CG2 4.26Å; I1016-V1047 VanDerWaalsContact CG2-O 3.31Å; I1016-V1047 WeakPolarHBondContact CG2-O 3.48Å; V1047-L1050 HydrophobicContact CG2-CD1 3.78Å |
| 1048 | K | 96.5 | Very high | 92.7 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | trans | -69.5 | -178 | 171 | -63 | -151.3 | 68.6 | 153.1 | 0 | 110.2 | E231 D420 A421 A422 I1016 E1019 L1050 | E231-K1048 WeakPolarHBondContact CG-O 3.29Å; D420-K1048 HydrophobicContact CB-CB 3.97Å; D420-K1048 WeakPolarHBondContact CB-O 3.5Å; D420-K1048 PolarHBondContact OD2-N 3.23Å; A421-K1048 HydrophobicContact CB-CB 4.12Å; A422-K1048 HydrophobicContact CB-CD 3.83Å; A422-K1048 HydrophobicContact CB-CG 4.07Å; I1016-K1048 HydrophobicContact CD1-CG 3.86Å; I1016-K1048 HydrophobicContact CG1-CG 4.01Å; I1016-K1048 HydrophobicContact CG2-CG 4.13Å; E1019-K1048 VanDerWaalsContact CD-NZ 3.26Å; E1019-K1048 IonicContact OE1-NZ 3.09Å; E1019-K1048 PolarHBondContact OE1-NZ 2.79Å; E1019-K1048 VanDerWaalsContact OE2-CE 3.31Å; E1019-K1048 WeakPolarHBondContact OE2-CE 3.5Å; E1019-K1048 IonicContact OE2-NZ 3.6Å; E1019-K1048 PolarHBondContact OE2-NZ 3.14Å; K1048-L1050 PolarHBondContact O-N 2.65Å | ||
| 1049 | R | 96.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -51.6 | 130.9 | 175 | -172.4 | 175.6 | -61.5 | -165.9 | -3.3 | 111.1 | E231 D420 A421 D945 K948 L1010 V1011 A1013 | E231-R1049 WeakPolarHBondContact OE1-CA 3.17Å; D420-R1049 CarbonylContact C-O 3.54Å; D420-R1049 WeakPolarHBondContact CA-O 2.98Å; A421-R1049 PolarHBondContact N-O 3.21Å; D945-R1049 IonicContact OD1-CZ 2.92Å; D945-R1049 IonicContact OD1-NH1 3.12Å; D945-R1049 PolarHBondContact OD1-NH1 2.95Å; D945-R1049 IonicContact OD1-NH2 3.45Å; D945-R1049 PolarHBondContact OD1-NH2 2.99Å; K948-R1049 HydrophobicContact CG-CG 4.39Å; L1010-R1049 PolarHBondContact O-NH2 3.32Å; V1011-R1049 VanDerWaalsContact O-CZ 3.26Å; V1011-R1049 PolarHBondContact O-NH1 2.93Å; V1011-R1049 PolarHBondContact O-NH2 3.43Å; A1013-R1049 PolarHBondContact O-NE 2.95Å; A1013-R1049 PolarHBondContact O-NH2 3.13Å |
| 1050 | L | 94.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 147.4 | -178.1 | -86.6 | 78.7 | 0 | 0 | 0 | 113.5 | P230 E231 A426 L427 R428 V1047 K1048 D1052 | P230-L1050 HydrophobicContact CB-CD1 4Å; P230-L1050 HydrophobicContact CB-CD2 3.65Å; P230-L1050 HydrophobicContact CB-CG 4.44Å; P230-L1050 HydrophobicContact CG-CB 4.47Å; P230-L1050 HydrophobicContact CG-CD1 3.91Å; P230-L1050 HydrophobicContact CG-CD2 3.7Å; P230-L1050 HydrophobicContact CG-CG 4.24Å; E231-L1050 HydrophobicContact CG-CD1 3.56Å; E231-L1050 PolarHBondContact OE1-N 2.97Å; E231-L1050 VanDerWaalsContact OE1-N 3.13Å; A426-L1050 HydrophobicContact CB-CD1 4.16Å; A426-L1050 HydrophobicContact CB-CD2 4.09Å; A426-L1050 HydrophobicContact CB-CG 3.87Å; L427-L1050 VanDerWaalsContact O-CD2 3.25Å; L427-L1050 WeakPolarHBondContact O-CD2 3.5Å; R428-L1050 HydrophobicContact CB-CD2 3.59Å; R428-L1050 HydrophobicContact CG-CD2 4.16Å; V1047-L1050 HydrophobicContact CG2-CD1 3.78Å; K1048-L1050 PolarHBondContact O-N 2.65Å; L1050-D1052 PolarHBondContact O-N 3.14Å |
| 1051 | D | 93.5 | Very high | 92.5 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | trans | -87.5 | 94.7 | 164.7 | -171.5 | -21.8 | 0 | 0 | 0 | 109.9 | S418 K419 V1053 Y1054 G1055 | S418-D1051 PolarHBondContact OG-O 3.44Å; K419-D1051 PolarHBondContact O-N 2.78Å; D1051-V1053 VanDerWaalsContact C-N 3.29Å; D1051-V1053 PolarHBondContact O-N 3.07Å; D1051-V1053 PolarHBondContact OD1-N 2.83Å; D1051-V1053 VanDerWaalsContact OD1-N 3.08Å; D1051-Y1054 WeakPolarHBondContact OD1-CB 3.05Å; D1051-Y1054 PolarHBondContact OD1-N 2.92Å; D1051-Y1054 WeakPolarHBondContact OD2-CB 3.5Å; D1051-G1055 PolarHBondContact O-N 3.1Å | ||
| 1052 | D | 89.2 | Confident | 92.3 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -35.6 | 178.1 | -78.4 | -60.2 | 0 | 0 | 0 | 112.9 | R428 L1050 D1056 | R428-D1052 IonicContact CZ-OD1 3.94Å; R428-D1052 IonicContact NE-OD1 3.66Å; R428-D1052 PolarHBondContact NE-OD1 3.14Å; R428-D1052 PolarHBondContact NH1-O 2.96Å; R428-D1052 IonicContact NH2-OD1 3.34Å; R428-D1052 PolarHBondContact NH2-OD1 3.27Å; L1050-D1052 PolarHBondContact O-N 3.14Å; D1052-D1056 PolarHBondContact O-N 3.47Å |
| 1053 | V | 91.5 | Very high | 91.4 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.5 | -39.5 | -174.3 | 178 | 0 | 0 | 0 | 0 | 110.8 | D1051 R1057 | D1051-V1053 VanDerWaalsContact C-N 3.29Å; D1051-V1053 PolarHBondContact O-N 3.07Å; D1051-V1053 PolarHBondContact OD1-N 2.83Å; D1051-V1053 VanDerWaalsContact OD1-N 3.08Å; V1053-R1057 HydrophobicContact CG1-CG 4.39Å; V1053-R1057 WeakPolarHBondContact O-CB 3.33Å; V1053-R1057 VanDerWaalsContact O-CG 3.3Å; V1053-R1057 WeakPolarHBondContact O-CG 3.4Å; V1053-R1057 PolarHBondContact O-N 3.2Å; V1053-R1057 VanDerWaalsContact O-N 3.1Å |
| 1054 | Y | 94.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 176 | 178.2 | -91.3 | 0 | 0 | 0 | 111.5 | K419 D1051 D1056 R1057 N1058 | K419-Y1054 HydrophobicContact CB-CD1 4.45Å; K419-Y1054 HydrophobicContact CD-CE1 3.97Å; K419-Y1054 WeakPolarHBondContact CE-OH 3.46Å; K419-Y1054 HydrophobicContact CG-CD1 4.16Å; K419-Y1054 HydrophobicContact CG-CE1 3.81Å; D1051-Y1054 WeakPolarHBondContact OD1-CB 3.05Å; D1051-Y1054 PolarHBondContact OD1-N 2.92Å; D1051-Y1054 WeakPolarHBondContact OD2-CB 3.5Å; Y1054-D1056 PolarHBondContact O-N 3.2Å; Y1054-R1057 PolarHBondContact O-N 3.28Å; Y1054-N1058 VanDerWaalsContact CD2-ND2 3.28Å; Y1054-N1058 WeakPolarHBondContact CD2-ND2 3.43Å; Y1054-N1058 HydrophobicContact CE1-CB 4.2Å; Y1054-N1058 VanDerWaalsContact CE2-ND2 3.27Å; Y1054-N1058 WeakPolarHBondContact CE2-ND2 3.49Å; Y1054-N1058 WeakPolarHBondContact O-CB 3.48Å; Y1054-N1058 PolarHBondContact O-N 3.3Å; Y1054-N1058 PolarHBondContact O-ND2 2.85Å |
| 1055 | G | 91.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | S418 D1051 N1058 L1059 | S418-G1055 WeakPolarHBondContact OG-CA 3.09Å; S418-G1055 PolarHBondContact OG-N 3.2Å; S418-G1055 VanDerWaalsContact OG-N 3.14Å; D1051-G1055 PolarHBondContact O-N 3.1Å; G1055-N1058 CarbonylContact O-C 3Å; G1055-L1059 WeakPolarHBondContact O-CA 3.26Å; G1055-L1059 PolarHBondContact O-N 3.42Å |
| 1056 | D | 90.6 | Very high | 87.9 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.2 | -29.8 | 177.1 | -77.8 | -3.8 | 0 | 0 | 0 | 112.6 | R428 M431 D1052 Y1054 | R428-D1056 IonicContact CZ-OD1 3.13Å; R428-D1056 IonicContact NH1-OD1 2.58Å; R428-D1056 PolarHBondContact NH1-OD1 3.28Å; R428-D1056 IonicContact NH1-OD2 2.61Å; R428-D1056 IonicContact NH2-OD1 3.66Å; M431-D1056 PolarHBondContact N-OD1 3.03Å; M431-D1056 HydrophobicContact SD-CB 4.31Å; D1052-D1056 PolarHBondContact O-N 3.47Å; Y1054-D1056 PolarHBondContact O-N 3.2Å |
| 1057 | R | 91 | Very high | 86.2 | Confident | 203 Ų | 203 | 51.5 Ų | 51.5 | 77% | 0.766 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -77.4 | -31.7 | 175.7 | -73.3 | 179.8 | -178.1 | -177.4 | 4 | 113 | V1053 Y1054 | V1053-R1057 HydrophobicContact CG1-CG 4.39Å; V1053-R1057 WeakPolarHBondContact O-CB 3.33Å; V1053-R1057 VanDerWaalsContact O-CG 3.3Å; V1053-R1057 WeakPolarHBondContact O-CG 3.4Å; V1053-R1057 PolarHBondContact O-N 3.2Å; V1053-R1057 VanDerWaalsContact O-N 3.1Å; Y1054-R1057 PolarHBondContact O-N 3.28Å |
| 1058 | N | 90.8 | Very high | 84.6 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 53.5 | -177.9 | -56.6 | -85.7 | 0 | 0 | 0 | 109.8 | Y1054 G1055 F1060 | Y1054-N1058 VanDerWaalsContact CD2-ND2 3.28Å; Y1054-N1058 WeakPolarHBondContact CD2-ND2 3.43Å; Y1054-N1058 HydrophobicContact CE1-CB 4.2Å; Y1054-N1058 VanDerWaalsContact CE2-ND2 3.27Å; Y1054-N1058 WeakPolarHBondContact CE2-ND2 3.49Å; Y1054-N1058 WeakPolarHBondContact O-CB 3.48Å; Y1054-N1058 PolarHBondContact O-N 3.3Å; Y1054-N1058 PolarHBondContact O-ND2 2.85Å; G1055-N1058 CarbonylContact O-C 3Å; N1058-F1060 PolarHBondContact O-N 2.84Å |
| 1059 | L | 89.8 | Confident | 82.8 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | trans | -57.6 | 111.7 | -172.2 | -171.3 | 70.5 | 0 | 0 | 0 | 111.5 | M255 K407 A430 M431 G1055 C1061 | M255-L1059 HydrophobicContact CE-CD2 3.84Å; M255-L1059 HydrophobicContact SD-CD2 4.07Å; K407-L1059 HydrophobicContact CD-CD2 3.71Å; A430-L1059 HydrophobicContact CB-CD1 3.68Å; M431-L1059 HydrophobicContact CG-CD1 3.95Å; M431-L1059 HydrophobicContact CG-CD2 4.25Å; G1055-L1059 WeakPolarHBondContact O-CA 3.26Å; G1055-L1059 PolarHBondContact O-N 3.42Å; L1059-C1061 WeakPolarHBondContact CD1-SG 3.48Å | ||
| 1060 | F | 90.3 | Very high | 80.4 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -132.6 | 112.7 | 176.4 | -175.8 | -89.9 | 0 | 0 | 0 | 108.6 | G416 V417 N1058 S1062 V1064 | G416-F1060 CarbonylContact C-O 3.52Å; G416-F1060 VanDerWaalsContact CA-O 3.32Å; G416-F1060 WeakPolarHBondContact CA-O 3.49Å; V417-F1060 HydrophobicContact CB-CB 4.35Å; V417-F1060 HydrophobicContact CB-CD1 3.85Å; V417-F1060 HydrophobicContact CG2-CD1 3.63Å; V417-F1060 HydrophobicContact CG2-CE1 4.23Å; V417-F1060 PolarHBondContact N-O 2.87Å; N1058-F1060 PolarHBondContact O-N 2.84Å; F1060-S1062 WeakPolarHBondContact CE1-O 3.46Å; F1060-S1062 WeakPolarHBondContact CE1-OG 3.18Å; F1060-S1062 WeakPolarHBondContact CE2-OG 3.23Å; F1060-S1062 WeakPolarHBondContact CZ-OG 3.49Å; F1060-V1064 HydrophobicContact CE1-CG2 4.26Å | ||
| 1061 | C | 88.2 | Confident | 79.7 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | trans | -120.8 | 30.6 | -165.8 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | Q244 M255 I414 L1059 | Q244-C1061 PolarHBondContact NE2-O 3.4Å; M255-C1061 HydrophobicContact CE-CB 4.49Å; I414-C1061 HydrophobicContact CG2-CB 4.09Å; I414-C1061 VanDerWaalsContact CG2-SG 3.54Å; L1059-C1061 WeakPolarHBondContact CD1-SG 3.48Å | ||
| 1062 | S | 81.1 | Confident | 79 | Confident | 27 Ų | 27 | 71 Ų | 71 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -129 | 166.5 | -178.4 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | L241 F1060 V1064 | L241-S1062 WeakPolarHBondContact CD2-O 3.31Å; F1060-S1062 WeakPolarHBondContact CE1-O 3.46Å; F1060-S1062 WeakPolarHBondContact CE1-OG 3.18Å; F1060-S1062 WeakPolarHBondContact CE2-OG 3.23Å; F1060-S1062 WeakPolarHBondContact CZ-OG 3.49Å; S1062-V1064 PolarHBondContact O-N 2.99Å |
| 1063 | C | 74.9 | Confident | 78.4 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 133.1 | 176.8 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | N242 Q245 H589 | N242-C1063 PolarHBondContact OD1-SG 2.91Å; N242-C1063 VanDerWaalsContact OD1-SG 3.32Å; Q245-C1063 HydrophobicContact CB-CB 4.44Å; Q245-C1063 WeakPolarHBondContact CB-SG 3.46Å; Q245-C1063 HydrophobicContact CG-CB 4.27Å; H589-C1063 HydrophobicContact CB-CB 4.44Å |
| 1064 | V | 71 | Confident | 77.7 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 137.1 | 177.2 | -164.3 | 0 | 0 | 0 | 0 | 109.1 | V417 T425 H589 F1060 S1062 I1066 E1068 Y1069 | V417-V1064 HydrophobicContact CB-CG2 4.15Å; V417-V1064 HydrophobicContact CG1-CG2 3.65Å; V417-V1064 HydrophobicContact CG2-CG2 3.41Å; V417-V1064 VanDerWaalsContact CG2-CG2 3.41Å; T425-V1064 HydrophobicContact CG2-CG1 4.35Å; T425-V1064 HydrophobicContact CG2-CG2 3.97Å; H589-V1064 PolarHBondContact NE2-O 3.22Å; F1060-V1064 HydrophobicContact CE1-CG2 4.26Å; S1062-V1064 PolarHBondContact O-N 2.99Å; V1064-I1066 PolarHBondContact O-N 3.33Å; V1064-E1068 HydrophobicContact CG1-CB 3.45Å; V1064-E1068 VanDerWaalsContact CG1-CB 3.45Å; V1064-E1068 HydrophobicContact CG1-CG 3.68Å; V1064-Y1069 HydrophobicContact CB-CE2 3.74Å; V1064-Y1069 HydrophobicContact CG2-CE2 4.45Å; V1064-Y1069 WeakPolarHBondContact O-CE2 3.45Å |
| 1065 | P | 73.4 | Confident | 76.6 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 137.6 | 173.6 | -27.8 | 34.6 | 0 | 0 | 0 | 111.9 | S1067 E1068 | P1065-S1067 PolarHBondContact O-N 2.75Å; P1065-E1068 WeakPolarHBondContact O-CB 3.42Å; P1065-E1068 PolarHBondContact O-N 2.68Å |
| 1066 | I | 67.8 | Low | 75.6 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -50.7 | -34.1 | -179.4 | -77.9 | -164.1 | 0 | 0 | 0 | 113 | P590 R594 V1064 E1068 Y1069 Q1070 | P590-I1066 HydrophobicContact CB-CD1 3.21Å; P590-I1066 HydrophobicContact CB-CG1 3.81Å; P590-I1066 HydrophobicContact CG-CD1 3.86Å; P590-I1066 HydrophobicContact CG-CG1 3.99Å; R594-I1066 VanDerWaalsContact NH1-CD1 3.27Å; V1064-I1066 PolarHBondContact O-N 3.33Å; I1066-E1068 PolarHBondContact O-N 3.26Å; I1066-E1068 VanDerWaalsContact O-N 3.17Å; I1066-Y1069 PolarHBondContact O-N 3.08Å; I1066-Q1070 HydrophobicContact CG2-CG 4.04Å; I1066-Q1070 PolarHBondContact O-N 3.39Å |
| 1067 | S | 57.5 | Low | 74.5 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -61 | -19.5 | 179.6 | 53.5 | 0 | 0 | 0 | 0 | 114.4 | P1065 | P1065-S1067 PolarHBondContact O-N 2.75Š|
| 1068 | E | 63.8 | Low | 73.3 | Confident | 117 Ų | 117 | 66.5 Ų | 66.5 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -86.8 | -10.8 | 176 | -64.3 | -83.6 | 171.8 | 0 | 0 | 112.4 | V1064 P1065 I1066 | V1064-E1068 HydrophobicContact CG1-CB 3.45Å; V1064-E1068 VanDerWaalsContact CG1-CB 3.45Å; V1064-E1068 HydrophobicContact CG1-CG 3.68Å; P1065-E1068 WeakPolarHBondContact O-CB 3.42Å; P1065-E1068 PolarHBondContact O-N 2.68Å; I1066-E1068 PolarHBondContact O-N 3.26Å; I1066-E1068 VanDerWaalsContact O-N 3.17Å |
| 1069 | Y | 58 | Low | 71.8 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -15.2 | 171.5 | -65 | -76.6 | 0 | 0 | 0 | 112.9 | V1064 I1066 | V1064-Y1069 HydrophobicContact CB-CE2 3.74Å; V1064-Y1069 HydrophobicContact CG2-CE2 4.45Å; V1064-Y1069 WeakPolarHBondContact O-CE2 3.45Å; I1066-Y1069 PolarHBondContact O-N 3.08Å |
| 1070 | Q | 46.1 | Very low | 70.2 | Confident | 204 Ų | 204 | 67.5 Ų | 67.5 | 95% | 0.953 | 35% | 0.345 | S | S | * | . | trans | -90 | 0 | 177.4 | -70.4 | -178.9 | -27.8 | 0 | 0 | 110.2 | I1066 | I1066-Q1070 HydrophobicContact CG2-CG 4.04Å; I1066-Q1070 PolarHBondContact O-N 3.39Å |
Retrieved 1,070 of 1,070 residues in 985.4 ms
(Link to these results)